G4LXV8_SCHMA Loading...

Actin-like protein 6, acl6

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession G4LXV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 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
1M35.5Very low74.8Confident235 Ų23570.5 Ų70.5100%1.15839%0.39SS*.  0121.80-69.9169.7-165.600104.5D3M1-D3 PolarHBondContact O-N 3.44Å
2S39.7Very low76.5Confident91 Ų9165.9 Ų65.964%0.63636%0.363SS*.  trans-59.4134.2176410000108.5E4S2-E4 PolarHBondContact O-N 2.88Å
3D47.6Very low78Confident168 Ų16862.1 Ų62.190%0.89835%0.348SS*.  trans-66.638.5169.9-74.4-35.1000111.7M1 V5M1-D3 PolarHBondContact O-N 3.44Å; D3-V5 PolarHBondContact O-N 3Å
4E60.3Low79.2Confident163 Ų16359.8 Ų59.876%0.76234%0.338SS*.  trans-74.6103.3174.5-82.2-178.3162.300108.3S2 G6S2-E4 PolarHBondContact O-N 2.88Å; E4-G6 VanDerWaalsContact C-N 3.29Å; E4-G6 PolarHBondContact O-N 2.89Å
5V69.5Low80.3Confident85 Ų8563.5 Ų63.552%0.51535%0.346SS..  trans-5894.1167.4176.50000108.3D3 H96D3-V5 PolarHBondContact O-N 3Å; V5-H96 WeakPolarHBondContact CG1-O 3.44Å
6G86.5Confident81.3Confident24 Ų2459.7 Ų59.725%0.24733%0.325CS..PPolyproline II helixtrans-69.4137.3178.500000111.2E4 H97E4-G6 VanDerWaalsContact C-N 3.29Å; E4-G6 PolarHBondContact O-N 2.89Å; G6-H97 PolarHBondContact O-ND1 3.45Å
7A93.9Very high82.3Confident7 Ų756.2 Ų56.26%0.05831%0.306CS..PPolyproline II helixtrans-66.6145.5171.600000110.5F21 A22 P98 W390A7-F21 WeakPolarHBondContact O-CA 3.47Å; A7-A22 HydrophobicContact CB-CB 4.11Å; A7-A22 WeakPolarHBondContact O-CB 3.41Å; A7-A22 PolarHBondContact O-N 3.33Å; A7-P98 CarbonylContact C-O 3.58Å; A7-P98 WeakPolarHBondContact CA-O 3.43Å; A7-P98 HydrophobicContact CB-CB 4.11Å; A7-W390 HydrophobicContact CB-CH2 3.8Å; A7-W390 HydrophobicContact CB-CZ2 3.64Å
8L96.2Very high83.2Confident0 Ų054.1 Ų54.10%029%0.293CS..EExtended strand (participates in β ladder)trans-92.1138171.1-65.8171.5000109.8F10 G20 F21 L86 L89 T90 H97 P98 V99 L100L8-F10 HydrophobicContact CB-CD2 4.31Å; L8-F10 HydrophobicContact CB-CE2 3.51Å; L8-F10 HydrophobicContact CB-CZ 4.1Å; L8-F10 HydrophobicContact CD1-CE2 4.17Å; L8-F10 HydrophobicContact CD1-CZ 4.19Å; L8-F10 HydrophobicContact CG-CE2 4.45Å; L8-G20 CarbonylContact C-O 3.45Å; L8-G20 WeakPolarHBondContact CA-O 3.26Å; L8-F21 HydrophobicContact CD2-CD1 3.69Å; L8-F21 HydrophobicContact CD2-CD2 4.44Å; L8-F21 HydrophobicContact CD2-CE1 3.54Å; L8-F21 HydrophobicContact CD2-CE2 4.3Å; L8-F21 HydrophobicContact CD2-CG 4.15Å; L8-F21 HydrophobicContact CD2-CZ 3.86Å; L8-L86 HydrophobicContact CD1-CD2 3.7Å; L8-L89 HydrophobicContact CD2-CB 4.23Å; L8-L89 HydrophobicContact CD2-CD1 4.24Å; L8-T90 HydrophobicContact CD1-CG2 4.01Å; L8-T90 HydrophobicContact CD2-CG2 4.25Å; L8-H97 HydrophobicContact CD1-CB 3.82Å; L8-H97 HydrophobicContact CG-CB 3.84Å; L8-P98 PolarHBondContact N-O 3.49Å; L8-V99 HydrophobicContact CB-CG2 4.43Å; L8-V99 WeakPolarHBondContact O-CA 3.39Å; L8-L100 PolarHBondContact O-N 2.86Å
9V97.7Very high83.9Confident1 Ų151.3 Ų51.31%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-115.8123.7179.9-177.80000109.3G19 G20 A22 L100 W374V9-G19 VanDerWaalsContact O-CA 3.29Å; V9-G19 WeakPolarHBondContact O-CA 3.31Å; V9-G20 PolarHBondContact N-O 2.79Å; V9-G20 PolarHBondContact O-N 3.35Å; V9-G20 VanDerWaalsContact O-N 3.16Å; V9-A22 HydrophobicContact CG2-CB 4.02Å; V9-L100 WeakPolarHBondContact CA-O 3.28Å; V9-L100 HydrophobicContact CG1-CD2 4.15Å; V9-L100 HydrophobicContact CG2-CB 4.29Å; V9-W374 HydrophobicContact CG1-CG 4.39Å; V9-W374 PolarHBondContact O-NE1 2.8Å
10F98.1Very high84.6Confident0 Ų048.7 Ų48.70%026%0.264CS..EExtended strand (participates in β ladder)trans-118133.1178.8-65.6-85.4000111.6L8 F12 R18 M82 M85 L86 L89 V99 L100 F101 S102L8-F10 HydrophobicContact CB-CD2 4.31Å; L8-F10 HydrophobicContact CB-CE2 3.51Å; L8-F10 HydrophobicContact CB-CZ 4.1Å; L8-F10 HydrophobicContact CD1-CE2 4.17Å; L8-F10 HydrophobicContact CD1-CZ 4.19Å; L8-F10 HydrophobicContact CG-CE2 4.45Å; F10-F12 HydrophobicContact CB-CD1 4.27Å; F10-F12 HydrophobicContact CB-CE1 3.98Å; F10-F12 HydrophobicContact CD1-CE1 4.17Å; F10-F12 HydrophobicContact CG-CE1 4.45Å; F10-R18 WeakPolarHBondContact CA-O 3.42Å; F10-M82 HydrophobicContact CD1-CE 4.05Å; F10-M82 HydrophobicContact CD1-SD 4.42Å; F10-M82 HydrophobicContact CD2-CE 3.76Å; F10-M82 HydrophobicContact CE1-CE 3.65Å; F10-M82 HydrophobicContact CE1-SD 4.39Å; F10-M82 HydrophobicContact CE2-CE 3.31Å; F10-M82 HydrophobicContact CG-CE 4.09Å; F10-M82 HydrophobicContact CZ-CE 3.26Å; F10-M85 HydrophobicContact CD1-CE 3.79Å; F10-M85 HydrophobicContact CD1-SD 4.25Å; F10-M85 HydrophobicContact CE1-CB 3.91Å; F10-M85 HydrophobicContact CE1-CE 4.09Å; F10-M85 HydrophobicContact CE1-SD 4.44Å; F10-L86 HydrophobicContact CE2-CD2 4.29Å; F10-L86 HydrophobicContact CZ-CD2 3.8Å; F10-L86 HydrophobicContact CZ-CG 4.46Å; F10-L89 HydrophobicContact CE1-CD1 3.64Å; F10-L89 HydrophobicContact CZ-CD1 3.67Å; F10-V99 HydrophobicContact CD2-CG1 3.75Å; F10-V99 HydrophobicContact CE2-CG1 4.07Å; F10-V99 HydrophobicContact CE2-CG2 4.16Å; F10-L100 PolarHBondContact N-O 3.29Å; F10-F101 HydrophobicContact CB-CD2 3.69Å; F10-F101 HydrophobicContact CB-CE2 3.66Å; F10-F101 HydrophobicContact CB-CG 4.5Å; F10-F101 HydrophobicContact CB-CZ 4.44Å; F10-F101 HydrophobicContact CG-CD2 4.46Å; F10-F101 HydrophobicContact CG-CE2 4.38Å; F10-S102 PolarHBondContact O-N 2.72Å
11D97.4Very high85.1Confident2 Ų249 Ų491%0.01126%0.262CS..EExtended strand (participates in β ladder)trans-129.2107.4178.3175.763.8000110.6G13 L17 R18 S102 S373 W374D11-G13 PolarHBondContact O-N 3.14Å; D11-L17 WeakPolarHBondContact O-CA 3.28Å; D11-R18 HydrophobicContact CB-CB 4.36Å; D11-R18 PolarHBondContact N-O 2.81Å; D11-R18 PolarHBondContact O-N 3.46Å; D11-R18 VanDerWaalsContact OD2-CD 3.23Å; D11-R18 WeakPolarHBondContact OD2-CD 3.38Å; D11-R18 IonicContact OD2-CZ 3.27Å; D11-R18 IonicContact OD2-NE 2.8Å; D11-R18 IonicContact OD2-NH1 3.83Å; D11-R18 PolarHBondContact OD2-NH1 3.35Å; D11-S102 VanDerWaalsContact CA-OG 3.25Å; D11-S102 WeakPolarHBondContact CA-OG 3.32Å; D11-S102 WeakPolarHBondContact CB-OG 3.25Å; D11-S102 PolarHBondContact OD1-OG 3.26Å; D11-S373 VanDerWaalsContact CG-OG 3.26Å; D11-S373 PolarHBondContact OD1-OG 3.17Å; D11-S373 PolarHBondContact OD2-OG 3.27Å; D11-W374 HydrophobicContact CB-CB 3.86Å; D11-W374 HydrophobicContact CB-CG 4.33Å
12F96.1Very high87.9Confident15 Ų1538.6 Ų38.67%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-9875.7-172-83.139.4000110.3F10 L17 F66 F78 V81 M82 M85 F101F10-F12 HydrophobicContact CB-CD1 4.27Å; F10-F12 HydrophobicContact CB-CE1 3.98Å; F10-F12 HydrophobicContact CD1-CE1 4.17Å; F10-F12 HydrophobicContact CG-CE1 4.45Å; F12-L17 HydrophobicContact CB-CD2 3.94Å; F12-L17 HydrophobicContact CD1-CD2 4.3Å; F12-L17 HydrophobicContact CD2-CD2 3.9Å; F12-L17 HydrophobicContact CE2-CD2 4.47Å; F12-L17 HydrophobicContact CG-CD2 3.79Å; F12-F66 AromaticContact CD2-CE2 3.93Å; F12-F66 HydrophobicContact CD2-CE2 3.93Å; F12-F66 AromaticContact CD2-CZ 3.77Å; F12-F66 HydrophobicContact CD2-CZ 3.77Å; F12-F66 HydrophobicContact CE2-CE2 4.08Å; F12-F66 AromaticContact CE2-CZ 3.93Å; F12-F66 HydrophobicContact CE2-CZ 3.93Å; F12-F78 HydrophobicContact CD2-CD2 4.11Å; F12-F78 HydrophobicContact CD2-CE2 4.09Å; F12-F78 AromaticContact CE2-CD2 3.5Å; F12-F78 HydrophobicContact CE2-CD2 3.5Å; F12-F78 VanDerWaalsContact CE2-CD2 3.5Å; F12-F78 AromaticContact CE2-CE2 3.48Å; F12-F78 HydrophobicContact CE2-CE2 3.48Å; F12-F78 VanDerWaalsContact CE2-CE2 3.48Å; F12-F78 HydrophobicContact CZ-CD2 4.33Å; F12-F78 AromaticContact CZ-CE2 3.97Å; F12-F78 HydrophobicContact CZ-CE2 3.97Å; F12-V81 HydrophobicContact CE2-CG1 3.87Å; F12-V81 HydrophobicContact CZ-CG1 3.83Å; F12-M82 HydrophobicContact CZ-SD 4.38Å; F12-M85 HydrophobicContact CE1-CE 4.36Å; F12-M85 HydrophobicContact CE1-SD 3.84Å; F12-M85 HydrophobicContact CZ-SD 3.92Å; F12-F101 HydrophobicContact CB-CE1 4.17Å; F12-F101 HydrophobicContact CB-CZ 4.15Å; F12-F101 HydrophobicContact CD1-CE1 4.17Å; F12-F101 HydrophobicContact CD1-CE2 4Å; F12-F101 AromaticContact CD1-CZ 3.42Å; F12-F101 HydrophobicContact CD1-CZ 3.42Å; F12-F101 VanDerWaalsContact CD1-CZ 3.42Å; F12-F101 HydrophobicContact CD2-CE1 4.49Å; F12-F101 AromaticContact CD2-CZ 3.78Å; F12-F101 HydrophobicContact CD2-CZ 3.78Å; F12-F101 AromaticContact CE1-CE2 3.84Å; F12-F101 HydrophobicContact CE1-CE2 3.84Å; F12-F101 AromaticContact CE1-CZ 3.66Å; F12-F101 HydrophobicContact CE1-CZ 3.66Å; F12-F101 HydrophobicContact CE2-CZ 4.01Å; F12-F101 HydrophobicContact CG-CE1 4.02Å; F12-F101 HydrophobicContact CG-CE2 4.47Å; F12-F101 AromaticContact CG-CZ 3.5Å; F12-F101 HydrophobicContact CG-CZ 3.5Å; F12-F101 VanDerWaalsContact CG-CZ 3.5Å; F12-F101 HydrophobicContact CZ-CE2 4.17Å; F12-F101 AromaticContact CZ-CZ 3.94Å; F12-F101 HydrophobicContact CZ-CZ 3.94Å
13G95.2Very high90.5Very high16 Ų1636.6 Ų36.617%0.16521%0.208CC..  trans-74161.8174.500000112.4D11 Y15 S16 S33 L67D11-G13 PolarHBondContact O-N 3.14Å; G13-Y15 VanDerWaalsContact C-N 3.33Å; G13-S16 CarbonylContact C-O 3.51Å; G13-S16 WeakPolarHBondContact CA-O 3.46Å; G13-S16 PolarHBondContact N-O 2.81Å; G13-S33 WeakPolarHBondContact O-CB 3.44Å; G13-S33 PolarHBondContact O-OG 3.3Å; G13-L67 WeakPolarHBondContact O-CD1 3.43Å
14S95.5Very high92.7Very high30 Ų3031 Ų3121%0.2118%0.177CC..SBendtrans-77-18.4177.7-50.90000114.5I154S14-I154 VanDerWaalsContact OG-CD1 3.26Å; S14-I154 WeakPolarHBondContact OG-CD1 3.31Å; S14-I154 WeakPolarHBondContact OG-CG1 3.45Å
15Y95.7Very high94.2Very high115 Ų11529.8 Ų29.845%0.45118%0.175SC..SBendtrans-88.2-53.6173.4-179-101.9000111.5G13 S33G13-Y15 VanDerWaalsContact C-N 3.33Å; Y15-S33 PolarHBondContact O-N 3.21Å; Y15-S33 PolarHBondContact O-OG 3.08Å
16S96.4Very high95.5Very high3 Ų330 Ų302%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-142.9153.1-179.871.50000111.8G13 R18 D30 I31 S33 R370G13-S16 CarbonylContact C-O 3.51Å; G13-S16 WeakPolarHBondContact CA-O 3.46Å; G13-S16 PolarHBondContact N-O 2.81Å; S16-R18 PolarHBondContact OG-NE 3.2Å; S16-R18 PolarHBondContact OG-NH2 3.11Å; S16-D30 WeakPolarHBondContact CB-OD1 3.39Å; S16-D30 PolarHBondContact OG-OD1 2.67Å; S16-I31 CarbonylContact C-O 3.57Å; S16-I31 WeakPolarHBondContact CA-O 3.37Å; S16-I31 VanDerWaalsContact CB-O 3.22Å; S16-I31 WeakPolarHBondContact CB-O 3.44Å; S16-S33 VanDerWaalsContact CA-OG 3.23Å; S16-S33 WeakPolarHBondContact CA-OG 3.3Å; S16-S33 PolarHBondContact N-OG 3.4Å; S16-R370 PolarHBondContact OG-NH2 2.92Å
17L97.7Very high96Very high0 Ų030 Ų300%017%0.169CC..EExtended strand (participates in β ladder)trans-102.8129.6176.8-45.8172.7000108.1D11 F12 D30 I31 S33 F66 V81 M85D11-L17 WeakPolarHBondContact O-CA 3.28Å; F12-L17 HydrophobicContact CB-CD2 3.94Å; F12-L17 HydrophobicContact CD1-CD2 4.3Å; F12-L17 HydrophobicContact CD2-CD2 3.9Å; F12-L17 HydrophobicContact CE2-CD2 4.47Å; F12-L17 HydrophobicContact CG-CD2 3.79Å; L17-D30 WeakPolarHBondContact O-CA 3.44Å; L17-I31 HydrophobicContact CB-CG1 4.03Å; L17-I31 HydrophobicContact CD1-CD1 4.28Å; L17-I31 HydrophobicContact CD1-CG1 4.32Å; L17-I31 PolarHBondContact N-O 3.44Å; L17-I31 PolarHBondContact O-N 3.01Å; L17-S33 VanDerWaalsContact CD2-OG 3.27Å; L17-S33 WeakPolarHBondContact CD2-OG 3.16Å; L17-S33 WeakPolarHBondContact CG-OG 3.35Å; L17-F66 HydrophobicContact CD1-CE1 3.89Å; L17-F66 HydrophobicContact CD1-CZ 3.92Å; L17-F66 HydrophobicContact CD2-CE1 4.13Å; L17-F66 HydrophobicContact CD2-CZ 3.81Å; L17-V81 HydrophobicContact CD1-CG1 3.41Å; L17-V81 VanDerWaalsContact CD1-CG1 3.41Å; L17-V81 HydrophobicContact CD1-CG2 4.41Å; L17-M85 HydrophobicContact CB-CE 4.23Å; L17-M85 HydrophobicContact CB-SD 4.21Å
18R97.9Very high96.1Very high19 Ų1934.8 Ų34.87%0.07219%0.189CC..EExtended strand (participates in β ladder)trans-116.4145.5-179.8-54.8104-170.3-169.83.4112F10 D11 S16 P27 I29 D30 M85 W374F10-R18 WeakPolarHBondContact CA-O 3.42Å; D11-R18 HydrophobicContact CB-CB 4.36Å; D11-R18 PolarHBondContact N-O 2.81Å; D11-R18 PolarHBondContact O-N 3.46Å; D11-R18 VanDerWaalsContact OD2-CD 3.23Å; D11-R18 WeakPolarHBondContact OD2-CD 3.38Å; D11-R18 IonicContact OD2-CZ 3.27Å; D11-R18 IonicContact OD2-NE 2.8Å; D11-R18 IonicContact OD2-NH1 3.83Å; D11-R18 PolarHBondContact OD2-NH1 3.35Å; S16-R18 PolarHBondContact OG-NE 3.2Å; S16-R18 PolarHBondContact OG-NH2 3.11Å; R18-P27 HydrophobicContact CB-CB 3.83Å; R18-P27 HydrophobicContact CB-CG 4.16Å; R18-P27 HydrophobicContact CG-CB 4.38Å; R18-P27 HydrophobicContact CG-CG 4.18Å; R18-I29 CarbonylContact C-O 3.58Å; R18-I29 VanDerWaalsContact CA-O 3.25Å; R18-I29 WeakPolarHBondContact CA-O 3.36Å; R18-D30 HydrophobicContact CG-CB 4.4Å; R18-D30 IonicContact NE-OD1 3.71Å; R18-M85 VanDerWaalsContact C-CE 3.41Å; R18-M85 WeakPolarHBondContact O-CE 3.35Å; R18-W374 HydrophobicContact CB-CG 4.26Å
19G97.8Very high96.1Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-146146.1175.500000111.2V9 P27 K28 I29V9-G19 VanDerWaalsContact O-CA 3.29Å; V9-G19 WeakPolarHBondContact O-CA 3.31Å; G19-P27 CarbonylContact O-C 3.57Å; G19-K28 PolarHBondContact O-N 3.08Å; G19-I29 PolarHBondContact N-O 3.39Å; G19-I29 WeakPolarHBondContact O-CG2 3.39Å; G19-I29 PolarHBondContact O-N 3.13Å
20G97Very high96.1Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans179-174.9175.700000111.8L8 V9L8-G20 CarbonylContact C-O 3.45Å; L8-G20 WeakPolarHBondContact CA-O 3.26Å; V9-G20 PolarHBondContact N-O 2.79Å; V9-G20 PolarHBondContact O-N 3.35Å; V9-G20 VanDerWaalsContact O-N 3.16Å
21F95.6Very high96Very high54 Ų5438 Ų3824%0.23721%0.206CC..EExtended strand (participates in β ladder)trans-89.9146.2179.8-65.1-91.3000111.2A7 L8 E24 T90 H97A7-F21 WeakPolarHBondContact O-CA 3.47Å; L8-F21 HydrophobicContact CD2-CD1 3.69Å; L8-F21 HydrophobicContact CD2-CD2 4.44Å; L8-F21 HydrophobicContact CD2-CE1 3.54Å; L8-F21 HydrophobicContact CD2-CE2 4.3Å; L8-F21 HydrophobicContact CD2-CG 4.15Å; L8-F21 HydrophobicContact CD2-CZ 3.86Å; F21-E24 HydrophobicContact CB-CG 4.04Å; F21-E24 PolarHBondContact N-OE2 3.02Å; F21-E24 WeakPolarHBondContact O-CB 3.42Å; F21-E24 PolarHBondContact O-N 3.01Å; F21-T90 HydrophobicContact CE1-CG2 4.25Å; F21-T90 HydrophobicContact CZ-CG2 3.98Å; F21-H97 AromaticContact CE1-CE1 3.97Å
22A95.2Very high96Very high17 Ų1738.5 Ų38.514%0.1421%0.209CC..THydrogen-bonded Turntrans-62.7141.5170.400000110.9A7 V9 E24 S378A7-A22 HydrophobicContact CB-CB 4.11Å; A7-A22 WeakPolarHBondContact O-CB 3.41Å; A7-A22 PolarHBondContact O-N 3.33Å; V9-A22 HydrophobicContact CG2-CB 4.02Å; A22-E24 VanDerWaalsContact C-N 3.33Å; A22-S378 WeakPolarHBondContact CB-O 3.42Å
23G93.7Very high96.1Very high50 Ų5037.8 Ų37.852%0.51521%0.206SC..THydrogen-bonded Turntrans86.4-1.5-174.500000114.3S378G23-S378 PolarHBondContact N-O 2.7Å; G23-S378 PolarHBondContact N-OG 2.7Å
24E94Very high96.1Very high51 Ų5138.1 Ų38.124%0.23821%0.205CC..  trans-93.4147174-59.4-169.6126.900112.1F21 A22 K28 W374 S378F21-E24 HydrophobicContact CB-CG 4.04Å; F21-E24 PolarHBondContact N-OE2 3.02Å; F21-E24 WeakPolarHBondContact O-CB 3.42Å; F21-E24 PolarHBondContact O-N 3.01Å; A22-E24 VanDerWaalsContact C-N 3.33Å; E24-K28 WeakPolarHBondContact OE1-CE 3.22Å; E24-K28 IonicContact OE1-NZ 3.38Å; E24-K28 PolarHBondContact OE1-NZ 3.26Å; E24-K28 WeakPolarHBondContact OE2-CE 3.36Å; E24-K28 WeakPolarHBondContact OE2-CG 3.4Å; E24-K28 IonicContact OE2-NZ 3.04Å; E24-W374 HydrophobicContact CB-CH2 4.25Å; E24-W374 WeakPolarHBondContact O-CH2 3.36Å; E24-W374 WeakPolarHBondContact O-CZ3 3.45Å; E24-S378 PolarHBondContact N-OG 2.72Å; E24-S378 VanDerWaalsContact N-OG 3.1Å; E24-S378 PolarHBondContact O-OG 2.88Å
25D92Very high96.2Very high136 Ų13636.8 Ų36.873%0.72720%0.195SC*.SBendtrans-75.5-23.4-178.6-60.9-38.3000113.4
26N95.2Very high96.2Very high90 Ų9031.3 Ų31.348%0.48117%0.174SC..SBendtrans-137.2144.8-174.4-63.5-101000110.9Y371 W374N26-Y371 PolarHBondContact OD1-OH 3.11Å; N26-W374 VanDerWaalsContact O-CH2 3.23Å; N26-W374 WeakPolarHBondContact O-CH2 3.35Å
27P97Very high96.1Very high23 Ų2332.7 Ų32.715%0.14918%0.18CC..  trans-64.2142.8171.328.1-33.7000110.6R18 G19 W374R18-P27 HydrophobicContact CB-CB 3.83Å; R18-P27 HydrophobicContact CB-CG 4.16Å; R18-P27 HydrophobicContact CG-CB 4.38Å; R18-P27 HydrophobicContact CG-CG 4.18Å; G19-P27 CarbonylContact O-C 3.57Å; P27-W374 HydrophobicContact CB-CD2 3.93Å; P27-W374 HydrophobicContact CB-CE3 4.31Å; P27-W374 HydrophobicContact CB-CG 4.46Å; P27-W374 HydrophobicContact CB-CH2 4.41Å; P27-W374 HydrophobicContact CB-CZ2 4.03Å; P27-W374 HydrophobicContact CG-CD2 4.37Å; P27-W374 HydrophobicContact CG-CE3 4.41Å; P27-W374 VanDerWaalsContact N-CZ3 3.34Å
28K96.1Very high95.8Very high108 Ų10835 Ų3547%0.4719%0.192SC..SBendtrans-79.3-27.7176.7-65.5-69171.3172.30112.7G19 E24 Y88 L89G19-K28 PolarHBondContact O-N 3.08Å; E24-K28 WeakPolarHBondContact OE1-CE 3.22Å; E24-K28 IonicContact OE1-NZ 3.38Å; E24-K28 PolarHBondContact OE1-NZ 3.26Å; E24-K28 WeakPolarHBondContact OE2-CE 3.36Å; E24-K28 WeakPolarHBondContact OE2-CG 3.4Å; E24-K28 IonicContact OE2-NZ 3.04Å; K28-Y88 WeakPolarHBondContact O-CE1 3.43Å; K28-L89 HydrophobicContact CB-CD2 3.56Å; K28-L89 HydrophobicContact CG-CD2 4.26Å
29I97.1Very high94.9Very high8 Ų836.9 Ų36.94%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-127128.4175.5-172.8165.3000109R18 G19 I31 M85 Y88 L89R18-I29 CarbonylContact C-O 3.58Å; R18-I29 VanDerWaalsContact CA-O 3.25Å; R18-I29 WeakPolarHBondContact CA-O 3.36Å; G19-I29 PolarHBondContact N-O 3.39Å; G19-I29 WeakPolarHBondContact O-CG2 3.39Å; G19-I29 PolarHBondContact O-N 3.13Å; I29-I31 HydrophobicContact CD1-CD1 4.41Å; I29-I31 HydrophobicContact CD1-CG2 4.02Å; I29-I31 HydrophobicContact CG1-CG1 4.44Å; I29-I31 HydrophobicContact CG1-CG2 3.72Å; I29-M85 HydrophobicContact CD1-CG 4.16Å; I29-M85 HydrophobicContact CG2-CE 3.73Å; I29-Y88 HydrophobicContact CB-CD1 3.83Å; I29-Y88 HydrophobicContact CB-CE1 3.99Å; I29-Y88 HydrophobicContact CD1-CD1 3.95Å; I29-Y88 HydrophobicContact CD1-CD2 4.48Å; I29-Y88 HydrophobicContact CD1-CG 3.88Å; I29-Y88 HydrophobicContact CG1-CD1 4.32Å; I29-Y88 HydrophobicContact CG2-CD1 4.48Å; I29-L89 HydrophobicContact CG2-CD1 4.11Å; I29-L89 HydrophobicContact CG2-CD2 4.07Å; I29-L89 HydrophobicContact CG2-CG 4.15Å
30D96.8Very high93.5Very high51 Ų5139.7 Ų39.727%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-134.6102.9172.6-179.126.9000107.2S16 L17 R18 R370S16-D30 WeakPolarHBondContact CB-OD1 3.39Å; S16-D30 PolarHBondContact OG-OD1 2.67Å; L17-D30 WeakPolarHBondContact O-CA 3.44Å; R18-D30 HydrophobicContact CG-CB 4.4Å; R18-D30 IonicContact NE-OD1 3.71Å; D30-R370 IonicContact OD1-NH2 3.6Å; D30-R370 IonicContact OD2-CZ 3.56Å; D30-R370 IonicContact OD2-NH1 2.73Å; D30-R370 PolarHBondContact OD2-NH1 3.02Å; D30-R370 IonicContact OD2-NH2 3.41Å; D30-R370 PolarHBondContact OD2-NH2 3.12Å
31I97.4Very high91.8Very high10 Ų1047.7 Ų47.75%0.05127%0.27CS..EExtended strand (participates in β ladder)trans-122.9154.9-174.155169.6000111.3S16 L17 I29 V50 M85S16-I31 CarbonylContact C-O 3.57Å; S16-I31 WeakPolarHBondContact CA-O 3.37Å; S16-I31 VanDerWaalsContact CB-O 3.22Å; S16-I31 WeakPolarHBondContact CB-O 3.44Å; L17-I31 HydrophobicContact CB-CG1 4.03Å; L17-I31 HydrophobicContact CD1-CD1 4.28Å; L17-I31 HydrophobicContact CD1-CG1 4.32Å; L17-I31 PolarHBondContact N-O 3.44Å; L17-I31 PolarHBondContact O-N 3.01Å; I29-I31 HydrophobicContact CD1-CD1 4.41Å; I29-I31 HydrophobicContact CD1-CG2 4.02Å; I29-I31 HydrophobicContact CG1-CG1 4.44Å; I29-I31 HydrophobicContact CG1-CG2 3.72Å; I31-V50 HydrophobicContact CD1-CG1 3.77Å; I31-M85 HydrophobicContact CD1-CG 3.98Å; I31-M85 HydrophobicContact CD1-SD 4.34Å
32P97.1Very high90.3Very high13 Ų1354.9 Ų54.98%0.08431%0.305CS..EExtended strand (participates in β ladder)trans-59.2146.8175.9-23.234.3000112.7T34 I54 Y233P32-T34 PolarHBondContact O-N 2.68Å; P32-I54 HydrophobicContact CB-CD1 3.69Å; P32-I54 HydrophobicContact CG-CD1 3.87Å; P32-Y233 WeakPolarHBondContact CB-OH 3.44Å
33S96.7Very high88.7Confident0 Ų058.1 Ų58.10%034%0.339CS..SBendtrans-82.16.4174.3-470000113.5G13 Y15 S16 L17 S65G13-S33 WeakPolarHBondContact O-CB 3.44Å; G13-S33 PolarHBondContact O-OG 3.3Å; Y15-S33 PolarHBondContact O-N 3.21Å; Y15-S33 PolarHBondContact O-OG 3.08Å; S16-S33 VanDerWaalsContact CA-OG 3.23Å; S16-S33 WeakPolarHBondContact CA-OG 3.3Å; S16-S33 PolarHBondContact N-OG 3.4Å; L17-S33 VanDerWaalsContact CD2-OG 3.27Å; L17-S33 WeakPolarHBondContact CD2-OG 3.16Å; L17-S33 WeakPolarHBondContact CG-OG 3.35Å; S33-S65 PolarHBondContact O-OG 3.01Å
34T97Very high87.4Confident22 Ų2261.1 Ų61.114%0.13534%0.343CS..EExtended strand (participates in β ladder)trans-102.2137.8176.5-58.70000108.9P32 I54 L63 Y233P32-T34 PolarHBondContact O-N 2.68Å; T34-I54 VanDerWaalsContact O-CD1 3.27Å; T34-I54 WeakPolarHBondContact O-CD1 3.44Å; T34-L63 HydrophobicContact CG2-CB 3.84Å; T34-Y233 HydrophobicContact CG2-CD2 3.88Å; T34-Y233 HydrophobicContact CG2-CE2 3.85Å; T34-Y233 WeakPolarHBondContact OG1-CE2 3.29Å
35L96.8Very high86.2Confident2 Ų264 Ų641%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-115.1150.2-177.6-51.4-176.9000110.4I37 V50 L63 Q64 F66 A77 V81L35-I37 HydrophobicContact CB-CD1 4.31Å; L35-V50 HydrophobicContact CD2-CB 4.45Å; L35-V50 HydrophobicContact CD2-CG1 4.26Å; L35-V50 HydrophobicContact CD2-CG2 4.15Å; L35-L63 WeakPolarHBondContact O-CA 3.32Å; L35-Q64 PolarHBondContact N-O 3.11Å; L35-Q64 PolarHBondContact O-N 3.16Å; L35-F66 HydrophobicContact CD1-CB 4.36Å; L35-F66 HydrophobicContact CD1-CD1 3.97Å; L35-F66 HydrophobicContact CD1-CG 4.38Å; L35-F66 HydrophobicContact CG-CD1 4.11Å; L35-A77 HydrophobicContact CD1-CB 3.63Å; L35-V81 HydrophobicContact CD1-CG2 3.75Å; L35-V81 HydrophobicContact CD2-CG2 3.55Å; L35-V81 HydrophobicContact CG-CG2 4.26Å
36G96.3Very high85.4Confident0 Ų059.5 Ų59.50%035%0.347CS..EExtended strand (participates in β ladder)trans-89.4117.1168.900000111.1R48 V49 D62G36-R48 CarbonylContact O-C 3.55Å; G36-R48 VanDerWaalsContact O-CA 3.25Å; G36-R48 WeakPolarHBondContact O-CA 3.45Å; G36-V49 PolarHBondContact N-O 3.41Å; G36-V49 PolarHBondContact O-N 2.93Å; G36-D62 CarbonylContact C-O 3.58Å; G36-D62 WeakPolarHBondContact CA-O 3.02Å
37I93.9Very high85.1Confident32 Ų3262 Ų6216%0.16435%0.354CS..EExtended strand (participates in β ladder)trans-97.8108.5176.7-49.5-56.2000108L35 A46 R48 T61 D62 Q64L35-I37 HydrophobicContact CB-CD1 4.31Å; I37-A46 HydrophobicContact CG2-CB 3.91Å; I37-R48 HydrophobicContact CD1-CG 3.73Å; I37-T61 CarbonylContact O-C 3.5Å; I37-T61 WeakPolarHBondContact O-CA 3.32Å; I37-D62 PolarHBondContact N-O 3.14Å; I37-D62 PolarHBondContact O-N 2.8Å; I37-Q64 HydrophobicContact CG1-CB 4.25Å
38I90.3Very high85Confident48 Ų4863.8 Ų63.825%0.24636%0.358CS..EExtended strand (participates in β ladder)trans-83.5118.6175.1-54.2174000107.4N40 K47 V49 T61I38-N40 PolarHBondContact O-N 3.09Å; I38-K47 HydrophobicContact CB-CB 4.22Å; I38-K47 WeakPolarHBondContact CB-O 3.3Å; I38-K47 HydrophobicContact CD1-CB 4.25Å; I38-K47 PolarHBondContact N-O 2.86Å; I38-V49 HydrophobicContact CD1-CG2 3.87Å; I38-V49 HydrophobicContact CG1-CG2 4.19Å; I38-T61 HydrophobicContact CG1-CG2 4.19Å
39G79.9Confident84.9Confident59 Ų5959.4 Ų59.461%0.60834%0.34SS*.  trans-60.1133.2173.800000110.9G60G39-G60 PolarHBondContact N-O 2.79Å
40N68.5Low84.8Confident59 Ų5959.6 Ų59.632%0.31634%0.342SS..  trans-107.7161.9174.3-74.5-11.1000111.1I38 L44 P45I38-N40 PolarHBondContact O-N 3.09Å; N40-L44 HydrophobicContact CB-CB 4.03Å; N40-L44 WeakPolarHBondContact ND2-CB 3.42Å; N40-L44 PolarHBondContact ND2-O 3.45Å; N40-P45 PolarHBondContact ND2-O 3.43Å
41E61.4Low84.7Confident169 Ų16957.2 Ų57.279%0.7933%0.329SS*.SBendtrans-58.5148.1162.6-63.5177.3172.600110.5G43 L44E41-G43 PolarHBondContact O-N 2.91Å; E41-L44 PolarHBondContact O-N 3.3Å
42E63.2Low84.6Confident205 Ų20561.7 Ų61.796%0.95835%0.35SS*.THydrogen-bonded Turntrans-49122.5-173.9-69.3-175.4164.200112.3
43G62.5Low84.4Confident84 Ų8465.6 Ų65.687%0.86637%0.37SS*.THydrogen-bonded Turntrans104.7-7.1173.300000116.9E41E41-G43 PolarHBondContact O-N 2.91Å
44L65.8Low84.3Confident114 Ų11465.6 Ų65.660%0.59737%0.37SS*.SBendtrans-100.5139.5175.2-75.6164.1000112.3N40 E41 A46N40-L44 HydrophobicContact CB-CB 4.03Å; N40-L44 WeakPolarHBondContact ND2-CB 3.42Å; N40-L44 PolarHBondContact ND2-O 3.45Å; E41-L44 PolarHBondContact O-N 3.3Å; L44-A46 PolarHBondContact O-N 3.21Å
45P69.2Low84.1Confident112 Ų11266.6 Ų66.673%0.72738%0.375SS*.PPolyproline II helixtrans-63.1126.8178.525.8-33.3000110.9N40 K47N40-P45 PolarHBondContact ND2-O 3.43Å; P45-K47 PolarHBondContact O-N 3.05Å
46A75.5Confident84Confident40 Ų4070.1 Ų70.133%0.33140%0.396SS..PPolyproline II helixtrans-51.7130.2-176.500000111.2I37 L44I37-A46 HydrophobicContact CG2-CB 3.91Å; L44-A46 PolarHBondContact O-N 3.21Å
47K88.6Confident83.9Confident143 Ų14371.4 Ų71.462%0.62240%0.404SS*.EExtended strand (participates in β ladder)trans-77.2130.4175.6-71.5-179-179.7176.20108.9I38 P45I38-K47 HydrophobicContact CB-CB 4.22Å; I38-K47 WeakPolarHBondContact CB-O 3.3Å; I38-K47 HydrophobicContact CD1-CB 4.25Å; I38-K47 PolarHBondContact N-O 2.86Å; P45-K47 PolarHBondContact O-N 3.05Å
48R93.9Very high83.8Confident60 Ų6072.9 Ų72.923%0.22641%0.408CS..EExtended strand (participates in β ladder)trans-104.2137.8178.1-58.9-166.3178.685.5-8.1112G36 I37 D74 D80G36-R48 CarbonylContact O-C 3.55Å; G36-R48 VanDerWaalsContact O-CA 3.25Å; G36-R48 WeakPolarHBondContact O-CA 3.45Å; I37-R48 HydrophobicContact CD1-CG 3.73Å; R48-D74 IonicContact CZ-OD2 2.64Å; R48-D74 IonicContact NE-OD2 3.89Å; R48-D74 IonicContact NH2-OD1 3.94Å; R48-D74 PolarHBondContact NH2-OD1 3.47Å; R48-D74 IonicContact NH2-OD2 2.85Å; R48-D74 PolarHBondContact NH2-OD2 3.2Å; R48-D80 VanDerWaalsContact CD-OD2 3.29Å; R48-D80 WeakPolarHBondContact CD-OD2 3.25Å; R48-D80 IonicContact CZ-OD2 2.8Å; R48-D80 IonicContact NE-OD2 2.97Å; R48-D80 IonicContact NH1-OD2 3.25Å; R48-D80 PolarHBondContact NH1-OD2 3.49Å
49V94.8Very high83.9Confident17 Ų1778 Ų7810%0.10343%0.428CS..EExtended strand (participates in β ladder)trans-100.3119.5168.6-1770000107.2G36 I38 D53 I54G36-V49 PolarHBondContact N-O 3.41Å; G36-V49 PolarHBondContact O-N 2.93Å; I38-V49 HydrophobicContact CD1-CG2 3.87Å; I38-V49 HydrophobicContact CG1-CG2 4.19Å; V49-D53 HydrophobicContact CG1-CB 3.56Å; V49-I54 HydrophobicContact CB-CG2 4.34Å; V49-I54 HydrophobicContact CG1-CG2 4.05Å; V49-I54 WeakPolarHBondContact O-CG2 3.46Å
50V95.5Very high84.3Confident12 Ų1277.3 Ų77.37%0.07342%0.421CS..  trans-112.3139.5-179.7-178.10000108.6I31 L35 D80 V81 H84I31-V50 HydrophobicContact CD1-CG1 3.77Å; L35-V50 HydrophobicContact CD2-CB 4.45Å; L35-V50 HydrophobicContact CD2-CG1 4.26Å; L35-V50 HydrophobicContact CD2-CG2 4.15Å; V50-D80 HydrophobicContact CG2-CB 4.49Å; V50-V81 HydrophobicContact CG1-CG2 4.04Å; V50-V81 HydrophobicContact CG2-CG2 4.15Å; V50-H84 HydrophobicContact CB-CB 4.01Å; V50-H84 HydrophobicContact CG1-CB 3.79Å; V50-H84 HydrophobicContact CG2-CB 4.43Å; V50-H84 PolarHBondContact O-CE1 3.32Å
51G95.4Very high85.5Confident1 Ų174.8 Ų74.81%0.0141%0.407CS..SBendtrans95.8-162.8174.100000114.2D53 I54G51-D53 PolarHBondContact O-N 3.18Å; G51-D53 VanDerWaalsContact O-N 3.09Å; G51-I54 WeakPolarHBondContact O-CG1 3.12Å; G51-I54 WeakPolarHBondContact O-CG2 3.28Å; G51-I54 PolarHBondContact O-N 3.09Å
52Q93.5Very high87.1Confident103 Ų10370.7 Ų70.748%0.48139%0.391SS..G310 helixtrans-63.3-17.6-176.5-64.7-63.9-5.700113.5I54 L55Q52-I54 PolarHBondContact O-N 3.38Å; Q52-I54 VanDerWaalsContact O-N 3.11Å; Q52-L55 VanDerWaalsContact O-CB 3.27Å; Q52-L55 WeakPolarHBondContact O-CB 3.4Å; Q52-L55 WeakPolarHBondContact O-CG 3.43Å; Q52-L55 PolarHBondContact O-N 3.32Å; Q52-L55 VanDerWaalsContact OE1-CD1 3.26Å
53D93.6Very high88.7Confident95 Ų9561.8 Ų61.851%0.50835%0.35SS..G310 helixtrans-58.3-24.3175.7-82.1-7.6000112.6V49 G51 L55 V56 R58V49-D53 HydrophobicContact CG1-CB 3.56Å; G51-D53 PolarHBondContact O-N 3.18Å; G51-D53 VanDerWaalsContact O-N 3.09Å; D53-L55 PolarHBondContact O-N 3.35Å; D53-L55 VanDerWaalsContact O-N 3.12Å; D53-V56 PolarHBondContact O-N 2.88Å; D53-R58 VanDerWaalsContact O-CZ 3.25Å; D53-R58 PolarHBondContact O-NH1 3.38Å; D53-R58 PolarHBondContact O-NH2 2.95Å
54I94.7Very high90.2Very high1 Ų163.1 Ų63.11%0.00533%0.334CS..G310 helixtrans-59.7-21.3174.771.6-179.1000113P32 T34 V49 G51 Q52 V56 L63 Y230 Y233P32-I54 HydrophobicContact CB-CD1 3.69Å; P32-I54 HydrophobicContact CG-CD1 3.87Å; T34-I54 VanDerWaalsContact O-CD1 3.27Å; T34-I54 WeakPolarHBondContact O-CD1 3.44Å; V49-I54 HydrophobicContact CB-CG2 4.34Å; V49-I54 HydrophobicContact CG1-CG2 4.05Å; V49-I54 WeakPolarHBondContact O-CG2 3.46Å; G51-I54 WeakPolarHBondContact O-CG1 3.12Å; G51-I54 WeakPolarHBondContact O-CG2 3.28Å; G51-I54 PolarHBondContact O-N 3.09Å; Q52-I54 PolarHBondContact O-N 3.38Å; Q52-I54 VanDerWaalsContact O-N 3.11Å; I54-V56 PolarHBondContact O-N 3.33Å; I54-L63 HydrophobicContact CB-CD2 4.16Å; I54-Y230 VanDerWaalsContact O-CE2 3.25Å; I54-Y230 WeakPolarHBondContact O-CE2 3.26Å; I54-Y233 HydrophobicContact CD1-CE1 4.06Å
55L93.6Very high91.6Very high43 Ų4360 Ų6023%0.22532%0.321CS..G310 helixtrans-73.7-17178.7-61.7-178.6000112.7Q52 D53 Y200 Y230 Y233 M234Q52-L55 VanDerWaalsContact O-CB 3.27Å; Q52-L55 WeakPolarHBondContact O-CB 3.4Å; Q52-L55 WeakPolarHBondContact O-CG 3.43Å; Q52-L55 PolarHBondContact O-N 3.32Å; Q52-L55 VanDerWaalsContact OE1-CD1 3.26Å; D53-L55 PolarHBondContact O-N 3.35Å; D53-L55 VanDerWaalsContact O-N 3.12Å; L55-Y200 WeakPolarHBondContact CB-OH 3.2Å; L55-Y230 PolarHBondContact O-OH 3.15Å; L55-Y233 HydrophobicContact CD2-CE1 4.01Å; L55-M234 HydrophobicContact CD2-CE 4.19Å; L55-M234 HydrophobicContact CD2-SD 3.98Å
56V93.6Very high92.9Very high76 Ų7654.9 Ų54.946%0.46129%0.287SS..SBendtrans-81.1123.1176.7-1780000109.4D53 I54 R58D53-V56 PolarHBondContact O-N 2.88Å; I54-V56 PolarHBondContact O-N 3.33Å; V56-R58 PolarHBondContact O-N 3.39Å; V56-R58 PolarHBondContact O-NH1 3.1Å
57P93.8Very high93.9Very high26 Ų2654 Ų5417%0.16928%0.277CS..  trans-64.6130.6-178.825.2-32.6000110.6Y201 L223 P224 V226 Y230P57-Y201 HydrophobicContact CB-CD2 4.38Å; P57-Y201 HydrophobicContact CG-CD2 4.39Å; P57-L223 HydrophobicContact CG-CD2 3.84Å; P57-P224 HydrophobicContact CB-CG 4.19Å; P57-P224 VanDerWaalsContact O-CG 3.26Å; P57-P224 WeakPolarHBondContact O-CG 3.49Å; P57-V226 HydrophobicContact CB-CG1 3.58Å; P57-Y230 WeakPolarHBondContact CA-OH 3.38Å; P57-Y230 HydrophobicContact CB-CE1 4.01Å; P57-Y230 WeakPolarHBondContact CD-OH 3.31Å
58R93.1Very high94.3Very high63 Ų6353.8 Ų53.824%0.23828%0.276CS..  trans-135.3142.3-179.7-69.6-177.9-167.479-1110.9D53 V56 T61D53-R58 VanDerWaalsContact O-CZ 3.25Å; D53-R58 PolarHBondContact O-NH1 3.38Å; D53-R58 PolarHBondContact O-NH2 2.95Å; V56-R58 PolarHBondContact O-N 3.39Å; V56-R58 PolarHBondContact O-NH1 3.1Å; R58-T61 VanDerWaalsContact CB-OG1 3.26Å; R58-T61 WeakPolarHBondContact CB-OG1 3.31Å
59K91.2Very high94.2Very high157 Ų15754.6 Ų54.668%0.68329%0.285SS*.THydrogen-bonded Turntrans-68.4134.9174.2179.8172.9-179.3-173.80110.7T61 P224 P225K59-T61 PolarHBondContact O-N 2.87Å; K59-P224 HydrophobicContact CB-CB 4.21Å; K59-P225 WeakPolarHBondContact CA-O 3.48Å; K59-P225 HydrophobicContact CB-CG 4.36Å; K59-P225 HydrophobicContact CD-CG 3.88Å; K59-P225 HydrophobicContact CG-CG 3.93Å
60G90Very high94.2Very high44 Ų4454 Ų5445%0.45428%0.283SS..THydrogen-bonded Turntrans65.925.8174.300000114.1G39G39-G60 PolarHBondContact N-O 2.79Å
61T93.6Very high94.2Very high5 Ų554.3 Ų54.33%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-109.3120.9175.3-52.70000109.4I37 I38 R58 K59 L63 S227I37-T61 CarbonylContact O-C 3.5Å; I37-T61 WeakPolarHBondContact O-CA 3.32Å; I38-T61 HydrophobicContact CG1-CG2 4.19Å; R58-T61 VanDerWaalsContact CB-OG1 3.26Å; R58-T61 WeakPolarHBondContact CB-OG1 3.31Å; K59-T61 PolarHBondContact O-N 2.87Å; T61-L63 HydrophobicContact CG2-CD2 4.47Å; T61-S227 WeakPolarHBondContact O-CB 3.41Å; T61-S227 PolarHBondContact O-OG 2.87Å
62D94.9Very high94.3Very high83 Ų8354.8 Ų54.844%0.44429%0.286SS..EExtended strand (participates in β ladder)trans-96.6144.2172-79.8-61.3000110.8G36 I37 S227 S229G36-D62 CarbonylContact C-O 3.58Å; G36-D62 WeakPolarHBondContact CA-O 3.02Å; I37-D62 PolarHBondContact N-O 3.14Å; I37-D62 PolarHBondContact O-N 2.8Å; D62-S227 WeakPolarHBondContact OD1-CB 3.16Å; D62-S227 PolarHBondContact OD1-OG 3.32Å; D62-S229 WeakPolarHBondContact CA-OG 3.37Å; D62-S229 WeakPolarHBondContact CB-OG 3.42Å; D62-S229 PolarHBondContact OD1-OG 2.8Å
63L96Very high94.5Very high18 Ų1854 Ų549%0.09429%0.285CS..EExtended strand (participates in β ladder)trans-99.4126.1175.6-63.2-163.6000110.5T34 L35 I54 T61 S229 Y230 Y233T34-L63 HydrophobicContact CG2-CB 3.84Å; L35-L63 WeakPolarHBondContact O-CA 3.32Å; I54-L63 HydrophobicContact CB-CD2 4.16Å; T61-L63 HydrophobicContact CG2-CD2 4.47Å; L63-S229 PolarHBondContact N-OG 2.86Å; L63-Y230 HydrophobicContact CD1-CD2 3.77Å; L63-Y230 HydrophobicContact CD1-CE2 4.48Å; L63-Y230 HydrophobicContact CD1-CG 4.42Å; L63-Y230 HydrophobicContact CD2-CD2 4.42Å; L63-Y230 HydrophobicContact CG-CD2 4.05Å; L63-Y233 HydrophobicContact CD1-CD1 3.44Å; L63-Y233 VanDerWaalsContact CD1-CD1 3.44Å; L63-Y233 HydrophobicContact CD1-CD2 4.37Å; L63-Y233 HydrophobicContact CD1-CE1 4.2Å; L63-Y233 HydrophobicContact CD1-CG 3.55Å
64Q94.5Very high94.6Very high113 Ų11351.5 Ų51.553%0.52827%0.272SS..EExtended strand (participates in β ladder)trans-144.1143.2-176.6-177176-3.700111.4L35 I37L35-Q64 PolarHBondContact N-O 3.11Å; L35-Q64 PolarHBondContact O-N 3.16Å; I37-Q64 HydrophobicContact CG1-CB 4.25Å
65S95Very high94.7Very high47 Ų4754 Ų5433%0.32928%0.281SS..EExtended strand (participates in β ladder)trans-84.3139.4167.5-169.50000110.8S33 L67S33-S65 PolarHBondContact O-OG 3.01Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact OG-N 2.92Å
66F96.2Very high94.8Very high5 Ų556.8 Ų56.82%0.02230%0.296CS..SBendtrans-87.20.6170.771.2-76.4000112.5F12 L17 L35 I72 D73 D74 A77 F78 V81F12-F66 AromaticContact CD2-CE2 3.93Å; F12-F66 HydrophobicContact CD2-CE2 3.93Å; F12-F66 AromaticContact CD2-CZ 3.77Å; F12-F66 HydrophobicContact CD2-CZ 3.77Å; F12-F66 HydrophobicContact CE2-CE2 4.08Å; F12-F66 AromaticContact CE2-CZ 3.93Å; F12-F66 HydrophobicContact CE2-CZ 3.93Å; L17-F66 HydrophobicContact CD1-CE1 3.89Å; L17-F66 HydrophobicContact CD1-CZ 3.92Å; L17-F66 HydrophobicContact CD2-CE1 4.13Å; L17-F66 HydrophobicContact CD2-CZ 3.81Å; L35-F66 HydrophobicContact CD1-CB 4.36Å; L35-F66 HydrophobicContact CD1-CD1 3.97Å; L35-F66 HydrophobicContact CD1-CG 4.38Å; L35-F66 HydrophobicContact CG-CD1 4.11Å; F66-I72 HydrophobicContact CD2-CG2 4.4Å; F66-I72 HydrophobicContact CE2-CG1 4.24Å; F66-D73 PolarHBondContact O-N 3.35Å; F66-D74 HydrophobicContact CB-CB 4Å; F66-D74 PolarHBondContact O-N 3.06Å; F66-A77 HydrophobicContact CB-CB 3.51Å; F66-A77 HydrophobicContact CG-CB 4.17Å; F66-F78 HydrophobicContact CD2-CB 4.31Å; F66-F78 HydrophobicContact CE2-CB 4.37Å; F66-F78 HydrophobicContact CE2-CD2 4.34Å; F66-V81 HydrophobicContact CE1-CG2 4.23Å; F66-V81 HydrophobicContact CZ-CG1 4.47Å; F66-V81 HydrophobicContact CZ-CG2 4.44Å
67L97Very high94.9Very high21 Ų2153.2 Ų53.211%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-103.3139.1178.4-56.5177000110.4G13 S65 L71 I72G13-L67 WeakPolarHBondContact O-CD1 3.43Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact OG-N 2.92Å; L67-L71 CarbonylContact C-O 3.5Å; L67-L71 VanDerWaalsContact CA-O 3.24Å; L67-L71 WeakPolarHBondContact CA-O 3.21Å; L67-I72 HydrophobicContact CD2-CB 4.44Å; L67-I72 HydrophobicContact CD2-CG1 3.88Å
68K95.5Very high95Very high139 Ų13952 Ų5260%0.60427%0.267SS*.EExtended strand (participates in β ladder)trans-130.2125.8172.9-173.3177.4-179.3177.70109.2G70 L71 D73K68-G70 PolarHBondContact O-N 3.29Å; K68-G70 VanDerWaalsContact O-N 3.15Å; K68-L71 PolarHBondContact N-O 3.38Å; K68-L71 PolarHBondContact O-N 3.36Å; K68-D73 HydrophobicContact CB-CB 3.73Å; K68-D73 WeakPolarHBondContact CD-OD2 3.5Å
69D93.3Very high95.2Very high77 Ų7750.6 Ų50.641%0.41226%0.263SS..THydrogen-bonded Turntrans52.432.6-173-165.428.3000113.4L71 W106 R173D69-L71 PolarHBondContact O-N 2.91Å; D69-W106 PolarHBondContact O-NE1 3.37Å; D69-W106 VanDerWaalsContact O-NE1 3.13Å; D69-R173 IonicContact OD1-CZ 3.15Å; D69-R173 IonicContact OD1-NH1 3.02Å; D69-R173 PolarHBondContact OD1-NH1 2.94Å; D69-R173 IonicContact OD2-CZ 3.06Å; D69-R173 IonicContact OD2-NH1 3.28Å; D69-R173 PolarHBondContact OD2-NH1 3.18Å; D69-R173 IonicContact OD2-NH2 2.65Å; D69-R173 PolarHBondContact OD2-NH2 3.01Å
70G93.7Very high95.4Very high6 Ų645.9 Ų45.96%0.06225%0.245CC..THydrogen-bonded Turntrans78.24.7-179.100000114.5K68K68-G70 PolarHBondContact O-N 3.29Å; K68-G70 VanDerWaalsContact O-N 3.15Å
71L97Very high95.7Very high18 Ų1843.8 Ų43.89%0.09422%0.224CC..EExtended strand (participates in β ladder)trans-110.1148.7179.8-51.6-177.7000110.5L67 K68 D69 D73 P104 N107 K111L67-L71 CarbonylContact C-O 3.5Å; L67-L71 VanDerWaalsContact CA-O 3.24Å; L67-L71 WeakPolarHBondContact CA-O 3.21Å; K68-L71 PolarHBondContact N-O 3.38Å; K68-L71 PolarHBondContact O-N 3.36Å; D69-L71 PolarHBondContact O-N 2.91Å; L71-D73 PolarHBondContact O-N 2.65Å; L71-P104 HydrophobicContact CD2-CB 4.23Å; L71-P104 HydrophobicContact CD2-CG 3.95Å; L71-N107 HydrophobicContact CD2-CB 3.93Å; L71-K111 HydrophobicContact CB-CD 3.9Å; L71-K111 HydrophobicContact CD1-CD 4.1Å
72I97.7Very high95.8Very high10 Ų1043.6 Ų43.65%0.05122%0.222CC..EExtended strand (participates in β ladder)trans-61.7123.6175.2-62.4160.2000109.8F66 L67 W75 F78 K111 I115F66-I72 HydrophobicContact CD2-CG2 4.4Å; F66-I72 HydrophobicContact CE2-CG1 4.24Å; L67-I72 HydrophobicContact CD2-CB 4.44Å; L67-I72 HydrophobicContact CD2-CG1 3.88Å; I72-W75 HydrophobicContact CB-CH2 4.21Å; I72-W75 HydrophobicContact CB-CZ3 4.24Å; I72-W75 HydrophobicContact CD1-CZ3 4.17Å; I72-W75 HydrophobicContact CG2-CD2 3.93Å; I72-W75 HydrophobicContact CG2-CE3 3.66Å; I72-W75 HydrophobicContact CG2-CH2 4.08Å; I72-W75 HydrophobicContact CG2-CZ2 4.33Å; I72-W75 HydrophobicContact CG2-CZ3 3.74Å; I72-F78 HydrophobicContact CD1-CD2 3.44Å; I72-F78 VanDerWaalsContact CD1-CD2 3.44Å; I72-F78 HydrophobicContact CD1-CE2 3.55Å; I72-F78 HydrophobicContact CD1-CG 4.1Å; I72-F78 HydrophobicContact CD1-CZ 4.26Å; I72-F78 HydrophobicContact CG1-CD2 4.07Å; I72-F78 HydrophobicContact CG2-CB 3.78Å; I72-F78 HydrophobicContact CG2-CD2 4.37Å; I72-F78 HydrophobicContact CG2-CG 4.14Å; I72-K111 PolarHBondContact O-NZ 3.39Å; I72-I115 HydrophobicContact CD1-CD1 3.89Å; I72-I115 HydrophobicContact CD1-CG1 3.91Å
73D96.7Very high95.8Very high86 Ų8641 Ų4146%0.4621%0.211SC..  trans-116.7-40.2-179.3-153.951.8000112.4F66 K68 L71 K111F66-D73 PolarHBondContact O-N 3.35Å; K68-D73 HydrophobicContact CB-CB 3.73Å; K68-D73 WeakPolarHBondContact CD-OD2 3.5Å; L71-D73 PolarHBondContact O-N 2.65Å; D73-K111 IonicContact OD1-NZ 2.54Å
74D96.1Very high95.8Very high43 Ų4342.7 Ų42.723%0.2322%0.218CC..  trans-97.5108.5170.5178.7-9.4000109.9R48 F66 D76 A77 F78R48-D74 IonicContact CZ-OD2 2.64Å; R48-D74 IonicContact NE-OD2 3.89Å; R48-D74 IonicContact NH2-OD1 3.94Å; R48-D74 PolarHBondContact NH2-OD1 3.47Å; R48-D74 IonicContact NH2-OD2 2.85Å; R48-D74 PolarHBondContact NH2-OD2 3.2Å; F66-D74 HydrophobicContact CB-CB 4Å; F66-D74 PolarHBondContact O-N 3.06Å; D74-D76 PolarHBondContact OD1-N 2.67Å; D74-A77 HydrophobicContact CB-CB 3.88Å; D74-A77 PolarHBondContact OD1-N 3.48Å; D74-A77 WeakPolarHBondContact OD2-CB 3.49Å; D74-F78 PolarHBondContact O-N 2.97Å; D74-F78 VanDerWaalsContact O-N 3.09Å
75W96.8Very high95.9Very high53 Ų5337.3 Ų37.320%0.20119%0.193CC..Hα-helixtrans-78.2-30.6-177.5-67.6103.7000113.6I72 A77 F78 E79 K111 K114 I115 I118I72-W75 HydrophobicContact CB-CH2 4.21Å; I72-W75 HydrophobicContact CB-CZ3 4.24Å; I72-W75 HydrophobicContact CD1-CZ3 4.17Å; I72-W75 HydrophobicContact CG2-CD2 3.93Å; I72-W75 HydrophobicContact CG2-CE3 3.66Å; I72-W75 HydrophobicContact CG2-CH2 4.08Å; I72-W75 HydrophobicContact CG2-CZ2 4.33Å; I72-W75 HydrophobicContact CG2-CZ3 3.74Å; W75-A77 VanDerWaalsContact C-N 3.33Å; W75-F78 HydrophobicContact CE3-CB 4.46Å; W75-F78 AromaticContact CE3-CD1 3.98Å; W75-F78 HydrophobicContact CE3-CD1 3.98Å; W75-F78 HydrophobicContact CE3-CG 4.35Å; W75-F78 HydrophobicContact CZ3-CD1 4.25Å; W75-F78 WeakPolarHBondContact O-CB 3.26Å; W75-F78 PolarHBondContact O-N 2.61Å; W75-E79 WeakPolarHBondContact O-CG 3.35Å; W75-E79 PolarHBondContact O-N 3.47Å; W75-K111 HydrophobicContact CH2-CB 4.21Å; W75-K111 WeakPolarHBondContact CH2-O 3.37Å; W75-K111 HydrophobicContact CZ2-CB 4.13Å; W75-K111 HydrophobicContact CZ2-CG 4.01Å; W75-K114 HydrophobicContact CD2-CG 3.59Å; W75-K114 HydrophobicContact CE3-CB 4.46Å; W75-K114 HydrophobicContact CE3-CG 3.68Å; W75-K114 HydrophobicContact CG-CG 4.3Å; W75-K114 HydrophobicContact CH2-CB 3.61Å; W75-K114 HydrophobicContact CH2-CG 3.73Å; W75-K114 HydrophobicContact CZ2-CB 3.65Å; W75-K114 HydrophobicContact CZ2-CG 3.62Å; W75-K114 HydrophobicContact CZ3-CB 4.03Å; W75-K114 HydrophobicContact CZ3-CG 3.75Å; W75-I115 HydrophobicContact CH2-CG1 3.87Å; W75-I115 HydrophobicContact CZ3-CG1 3.76Å; W75-I118 HydrophobicContact CD2-CD1 4.3Å; W75-I118 HydrophobicContact CE3-CD1 3.49Å; W75-I118 VanDerWaalsContact CE3-CD1 3.49Å; W75-I118 HydrophobicContact CZ3-CD1 4.11Å
76D95Very high95.9Very high102 Ų10235.4 Ų35.455%0.54518%0.179SC..Hα-helixtrans-67.9-41.5175.7-63.5-33.4000109.4D74 E79 D80D74-D76 PolarHBondContact OD1-N 2.67Å; D76-E79 PolarHBondContact O-N 3.27Å; D76-D80 PolarHBondContact O-N 2.82Å
77A95.3Very high95.8Very high1 Ų143 Ų431%0.00821%0.208CC..Hα-helixtrans-61.7-42.317200000112.4L35 F66 D74 W75 E79 D80 V81L35-A77 HydrophobicContact CD1-CB 3.63Å; F66-A77 HydrophobicContact CB-CB 3.51Å; F66-A77 HydrophobicContact CG-CB 4.17Å; D74-A77 HydrophobicContact CB-CB 3.88Å; D74-A77 PolarHBondContact OD1-N 3.48Å; D74-A77 WeakPolarHBondContact OD2-CB 3.49Å; W75-A77 VanDerWaalsContact C-N 3.33Å; A77-E79 VanDerWaalsContact C-N 3.31Å; A77-E79 PolarHBondContact O-N 2.81Å; A77-D80 PolarHBondContact O-N 3.38Å; A77-V81 WeakPolarHBondContact O-CB 3.44Å; A77-V81 VanDerWaalsContact O-CG2 3.25Å; A77-V81 WeakPolarHBondContact O-CG2 3.02Å; A77-V81 PolarHBondContact O-N 3.23Å
78F97.1Very high95.7Very high0 Ų048.9 Ų48.90%023%0.229CC..Hα-helixtrans-57.8-43.8174.6170.2-102.4000111.8F12 F66 I72 D74 W75 V81 M82 F101 I115 I118F12-F78 HydrophobicContact CD2-CD2 4.11Å; F12-F78 HydrophobicContact CD2-CE2 4.09Å; F12-F78 AromaticContact CE2-CD2 3.5Å; F12-F78 HydrophobicContact CE2-CD2 3.5Å; F12-F78 VanDerWaalsContact CE2-CD2 3.5Å; F12-F78 AromaticContact CE2-CE2 3.48Å; F12-F78 HydrophobicContact CE2-CE2 3.48Å; F12-F78 VanDerWaalsContact CE2-CE2 3.48Å; F12-F78 HydrophobicContact CZ-CD2 4.33Å; F12-F78 AromaticContact CZ-CE2 3.97Å; F12-F78 HydrophobicContact CZ-CE2 3.97Å; F66-F78 HydrophobicContact CD2-CB 4.31Å; F66-F78 HydrophobicContact CE2-CB 4.37Å; F66-F78 HydrophobicContact CE2-CD2 4.34Å; I72-F78 HydrophobicContact CD1-CD2 3.44Å; I72-F78 VanDerWaalsContact CD1-CD2 3.44Å; I72-F78 HydrophobicContact CD1-CE2 3.55Å; I72-F78 HydrophobicContact CD1-CG 4.1Å; I72-F78 HydrophobicContact CD1-CZ 4.26Å; I72-F78 HydrophobicContact CG1-CD2 4.07Å; I72-F78 HydrophobicContact CG2-CB 3.78Å; I72-F78 HydrophobicContact CG2-CD2 4.37Å; I72-F78 HydrophobicContact CG2-CG 4.14Å; D74-F78 PolarHBondContact O-N 2.97Å; D74-F78 VanDerWaalsContact O-N 3.09Å; W75-F78 HydrophobicContact CE3-CB 4.46Å; W75-F78 AromaticContact CE3-CD1 3.98Å; W75-F78 HydrophobicContact CE3-CD1 3.98Å; W75-F78 HydrophobicContact CE3-CG 4.35Å; W75-F78 HydrophobicContact CZ3-CD1 4.25Å; W75-F78 WeakPolarHBondContact O-CB 3.26Å; W75-F78 PolarHBondContact O-N 2.61Å; F78-V81 PolarHBondContact O-N 2.8Å; F78-M82 VanDerWaalsContact O-CB 3.31Å; F78-M82 WeakPolarHBondContact O-CB 3.28Å; F78-M82 PolarHBondContact O-N 3.21Å; F78-F101 HydrophobicContact CE2-CE2 4.13Å; F78-F101 AromaticContact CE2-CZ 3.83Å; F78-F101 HydrophobicContact CE2-CZ 3.83Å; F78-F101 HydrophobicContact CZ-CE2 4.33Å; F78-F101 HydrophobicContact CZ-CZ 4.36Å; F78-I115 HydrophobicContact CZ-CG2 4.38Å; F78-I118 HydrophobicContact CD1-CD1 3.77Å; F78-I118 HydrophobicContact CD1-CG2 4.25Å; F78-I118 HydrophobicContact CE1-CB 4.25Å; F78-I118 HydrophobicContact CE1-CD1 4.02Å; F78-I118 HydrophobicContact CE1-CG2 3.85Å
79E96.3Very high95.6Very high34 Ų3443 Ų4316%0.15921%0.205CC..Hα-helixtrans-64-40.8177-71.9176.5-165.500112.5W75 D76 A77 S83 I118 K122W75-E79 WeakPolarHBondContact O-CG 3.35Å; W75-E79 PolarHBondContact O-N 3.47Å; D76-E79 PolarHBondContact O-N 3.27Å; A77-E79 VanDerWaalsContact C-N 3.31Å; A77-E79 PolarHBondContact O-N 2.81Å; E79-S83 VanDerWaalsContact O-CB 3.29Å; E79-S83 WeakPolarHBondContact O-CB 3.32Å; E79-S83 PolarHBondContact O-N 3.23Å; E79-S83 PolarHBondContact O-OG 3.26Å; E79-I118 HydrophobicContact CG-CD1 4.11Å; E79-I118 HydrophobicContact CG-CG1 4.44Å; E79-I118 HydrophobicContact CG-CG2 3.73Å; E79-K122 HydrophobicContact CB-CD 4.41Å; E79-K122 HydrophobicContact CG-CD 4.03Å; E79-K122 VanDerWaalsContact OE2-CD 3.27Å; E79-K122 WeakPolarHBondContact OE2-CD 3.4Å; E79-K122 WeakPolarHBondContact OE2-CE 3.18Å; E79-K122 IonicContact OE2-NZ 2.98Å; E79-K122 PolarHBondContact OE2-NZ 3.49Å
80D95.5Very high95.5Very high59 Ų5940 Ų4032%0.31619%0.188SC..Hα-helixtrans-63.8-43.4175.9-73.6-27.9000111.6R48 V50 D76 A77 S83 H84R48-D80 VanDerWaalsContact CD-OD2 3.29Å; R48-D80 WeakPolarHBondContact CD-OD2 3.25Å; R48-D80 IonicContact CZ-OD2 2.8Å; R48-D80 IonicContact NE-OD2 2.97Å; R48-D80 IonicContact NH1-OD2 3.25Å; R48-D80 PolarHBondContact NH1-OD2 3.49Å; V50-D80 HydrophobicContact CG2-CB 4.49Å; D76-D80 PolarHBondContact O-N 2.82Å; A77-D80 PolarHBondContact O-N 3.38Å; D80-S83 PolarHBondContact O-N 3.45Å; D80-H84 WeakPolarHBondContact O-CB 3.38Å; D80-H84 PolarHBondContact O-N 3.04Å
81V97Very high94.9Very high0 Ų044.6 Ų44.60%022%0.217CC..Hα-helixtrans-62.2-50.1176.1166.10000111.1F12 L17 L35 V50 F66 A77 F78 S83 H84 M85F12-V81 HydrophobicContact CE2-CG1 3.87Å; F12-V81 HydrophobicContact CZ-CG1 3.83Å; L17-V81 HydrophobicContact CD1-CG1 3.41Å; L17-V81 VanDerWaalsContact CD1-CG1 3.41Å; L17-V81 HydrophobicContact CD1-CG2 4.41Å; L35-V81 HydrophobicContact CD1-CG2 3.75Å; L35-V81 HydrophobicContact CD2-CG2 3.55Å; L35-V81 HydrophobicContact CG-CG2 4.26Å; V50-V81 HydrophobicContact CG1-CG2 4.04Å; V50-V81 HydrophobicContact CG2-CG2 4.15Å; F66-V81 HydrophobicContact CE1-CG2 4.23Å; F66-V81 HydrophobicContact CZ-CG1 4.47Å; F66-V81 HydrophobicContact CZ-CG2 4.44Å; A77-V81 WeakPolarHBondContact O-CB 3.44Å; A77-V81 VanDerWaalsContact O-CG2 3.25Å; A77-V81 WeakPolarHBondContact O-CG2 3.02Å; A77-V81 PolarHBondContact O-N 3.23Å; F78-V81 PolarHBondContact O-N 2.8Å; V81-S83 VanDerWaalsContact C-N 3.3Å; V81-S83 PolarHBondContact O-N 3.41Å; V81-H84 WeakPolarHBondContact O-CB 3.44Å; V81-H84 PolarHBondContact O-N 2.92Å; V81-H84 VanDerWaalsContact O-N 3.09Å; V81-M85 HydrophobicContact CG1-CG 4.47Å; V81-M85 HydrophobicContact CG1-SD 3.92Å; V81-M85 WeakPolarHBondContact O-CG 3.36Å; V81-M85 PolarHBondContact O-N 2.98Å
82M96.1Very high93.8Very high0 Ų052.6 Ų52.60%025%0.254CS..Hα-helixtrans-61.2-42.6179.7-166.570.1-152.100110.8F10 F12 F78 H84 M85 L86 L119 F123F10-M82 HydrophobicContact CD1-CE 4.05Å; F10-M82 HydrophobicContact CD1-SD 4.42Å; F10-M82 HydrophobicContact CD2-CE 3.76Å; F10-M82 HydrophobicContact CE1-CE 3.65Å; F10-M82 HydrophobicContact CE1-SD 4.39Å; F10-M82 HydrophobicContact CE2-CE 3.31Å; F10-M82 HydrophobicContact CG-CE 4.09Å; F10-M82 HydrophobicContact CZ-CE 3.26Å; F12-M82 HydrophobicContact CZ-SD 4.38Å; F78-M82 VanDerWaalsContact O-CB 3.31Å; F78-M82 WeakPolarHBondContact O-CB 3.28Å; F78-M82 PolarHBondContact O-N 3.21Å; M82-H84 VanDerWaalsContact C-N 3.31Å; M82-H84 PolarHBondContact O-N 2.85Å; M82-M85 PolarHBondContact O-N 2.97Å; M82-L86 HydrophobicContact CE-CD1 3.78Å; M82-L86 HydrophobicContact CE-CD2 3.65Å; M82-L86 HydrophobicContact CE-CG 3.55Å; M82-L86 HydrophobicContact CG-CD1 3.91Å; M82-L86 HydrophobicContact CG-CG 4.32Å; M82-L86 WeakPolarHBondContact O-CB 3.39Å; M82-L86 WeakPolarHBondContact O-CG 3.07Å; M82-L86 PolarHBondContact O-N 2.9Å; M82-L119 HydrophobicContact CE-CD2 4.1Å; M82-L119 HydrophobicContact CG-CD2 4.25Å; M82-L119 HydrophobicContact SD-CD2 4.27Å; M82-F123 HydrophobicContact CB-CE1 4.47Å; M82-F123 HydrophobicContact CB-CE2 3.73Å; M82-F123 HydrophobicContact CB-CZ 3.66Å; M82-F123 HydrophobicContact CG-CD2 4.03Å; M82-F123 HydrophobicContact CG-CE1 4.37Å; M82-F123 HydrophobicContact CG-CE2 3.63Å; M82-F123 HydrophobicContact CG-CZ 3.82Å
83S94.8Very high93Very high28 Ų2857 Ų5720%0.19627%0.274CS..Hα-helixtrans-60.9-38.5174.7-58.60000112.4E79 D80 V81 R87 F123E79-S83 VanDerWaalsContact O-CB 3.29Å; E79-S83 WeakPolarHBondContact O-CB 3.32Å; E79-S83 PolarHBondContact O-N 3.23Å; E79-S83 PolarHBondContact O-OG 3.26Å; D80-S83 PolarHBondContact O-N 3.45Å; V81-S83 VanDerWaalsContact C-N 3.3Å; V81-S83 PolarHBondContact O-N 3.41Å; S83-R87 WeakPolarHBondContact O-CB 3.41Å; S83-R87 VanDerWaalsContact O-CG 3.23Å; S83-R87 WeakPolarHBondContact O-CG 3.34Å; S83-R87 PolarHBondContact O-N 3.27Å; S83-R87 PolarHBondContact O-NE 2.67Å; S83-F123 VanDerWaalsContact OG-CE1 3.31Å; S83-F123 WeakPolarHBondContact OG-CE1 3.49Å; S83-F123 WeakPolarHBondContact OG-CZ 3.32Å
84H95.5Very high91.8Very high55 Ų5554 Ų5426%0.25526%0.262SS..Hα-helixtrans-65.6-50.3175-179.796.3000111.5V50 D80 V81 M82 R87 Y88V50-H84 HydrophobicContact CB-CB 4.01Å; V50-H84 HydrophobicContact CG1-CB 3.79Å; V50-H84 HydrophobicContact CG2-CB 4.43Å; V50-H84 PolarHBondContact O-CE1 3.32Å; D80-H84 WeakPolarHBondContact O-CB 3.38Å; D80-H84 PolarHBondContact O-N 3.04Å; V81-H84 WeakPolarHBondContact O-CB 3.44Å; V81-H84 PolarHBondContact O-N 2.92Å; V81-H84 VanDerWaalsContact O-N 3.09Å; M82-H84 VanDerWaalsContact C-N 3.31Å; M82-H84 PolarHBondContact O-N 2.85Å; H84-R87 PolarHBondContact O-N 3.06Å; H84-Y88 PolarHBondContact O-N 2.85Å; H84-Y88 VanDerWaalsContact O-N 3.13Å
85M96.5Very high91.1Very high0 Ų054.3 Ų54.30%027%0.268CS..Hα-helixtrans-67-41.7-177-61.7177.177.500112.2F10 F12 L17 R18 I29 I31 V81 M82 Y88 L89F10-M85 HydrophobicContact CD1-CE 3.79Å; F10-M85 HydrophobicContact CD1-SD 4.25Å; F10-M85 HydrophobicContact CE1-CB 3.91Å; F10-M85 HydrophobicContact CE1-CE 4.09Å; F10-M85 HydrophobicContact CE1-SD 4.44Å; F12-M85 HydrophobicContact CE1-CE 4.36Å; F12-M85 HydrophobicContact CE1-SD 3.84Å; F12-M85 HydrophobicContact CZ-SD 3.92Å; L17-M85 HydrophobicContact CB-CE 4.23Å; L17-M85 HydrophobicContact CB-SD 4.21Å; R18-M85 VanDerWaalsContact C-CE 3.41Å; R18-M85 WeakPolarHBondContact O-CE 3.35Å; I29-M85 HydrophobicContact CD1-CG 4.16Å; I29-M85 HydrophobicContact CG2-CE 3.73Å; I31-M85 HydrophobicContact CD1-CG 3.98Å; I31-M85 HydrophobicContact CD1-SD 4.34Å; V81-M85 HydrophobicContact CG1-CG 4.47Å; V81-M85 HydrophobicContact CG1-SD 3.92Å; V81-M85 WeakPolarHBondContact O-CG 3.36Å; V81-M85 PolarHBondContact O-N 2.98Å; M82-M85 PolarHBondContact O-N 2.97Å; M85-Y88 WeakPolarHBondContact O-CB 3.31Å; M85-Y88 PolarHBondContact O-N 2.76Å; M85-L89 WeakPolarHBondContact O-CB 3.34Å; M85-L89 VanDerWaalsContact O-CG 3.28Å; M85-L89 WeakPolarHBondContact O-CG 3.35Å; M85-L89 PolarHBondContact O-N 3.05Å
86L95Very high90.7Very high6 Ų656.3 Ų56.33%0.03128%0.279CS..Hα-helixtrans-63.7-42.7176.1-72.9172.5000112.2L8 F10 M82 Y88 L89 T90 A94 F123L8-L86 HydrophobicContact CD1-CD2 3.7Å; F10-L86 HydrophobicContact CE2-CD2 4.29Å; F10-L86 HydrophobicContact CZ-CD2 3.8Å; F10-L86 HydrophobicContact CZ-CG 4.46Å; M82-L86 HydrophobicContact CE-CD1 3.78Å; M82-L86 HydrophobicContact CE-CD2 3.65Å; M82-L86 HydrophobicContact CE-CG 3.55Å; M82-L86 HydrophobicContact CG-CD1 3.91Å; M82-L86 HydrophobicContact CG-CG 4.32Å; M82-L86 WeakPolarHBondContact O-CB 3.39Å; M82-L86 WeakPolarHBondContact O-CG 3.07Å; M82-L86 PolarHBondContact O-N 2.9Å; L86-Y88 PolarHBondContact O-N 2.9Å; L86-L89 PolarHBondContact O-N 2.89Å; L86-T90 CarbonylContact O-C 3.52Å; L86-T90 WeakPolarHBondContact O-CA 3.45Å; L86-T90 PolarHBondContact O-N 2.65Å; L86-T90 PolarHBondContact O-OG1 3.28Å; L86-A94 HydrophobicContact CB-CB 4.16Å; L86-A94 HydrophobicContact CD1-CB 4.12Å; L86-A94 HydrophobicContact CD2-CB 4.08Å; L86-A94 HydrophobicContact CG-CB 4.35Å; L86-F123 HydrophobicContact CD1-CB 4.21Å; L86-F123 HydrophobicContact CD1-CD1 3.45Å; L86-F123 VanDerWaalsContact CD1-CD1 3.45Å; L86-F123 HydrophobicContact CD1-CE1 3.93Å; L86-F123 HydrophobicContact CD1-CG 3.84Å
87R93.5Very high90.5Very high166 Ų16653 Ų5363%0.62626%0.26SS*.Hα-helixtrans-63.1-31.6175.8-76.8-178.8-62-171.62.1112.7S83 H84 P91S83-R87 WeakPolarHBondContact O-CB 3.41Å; S83-R87 VanDerWaalsContact O-CG 3.23Å; S83-R87 WeakPolarHBondContact O-CG 3.34Å; S83-R87 PolarHBondContact O-N 3.27Å; S83-R87 PolarHBondContact O-NE 2.67Å; H84-R87 PolarHBondContact O-N 3.06Å; R87-P91 WeakPolarHBondContact O-CA 3.44Å; R87-P91 WeakPolarHBondContact O-CG 3.32Å
88Y94.3Very high90.5Very high144 Ų14453.9 Ų53.957%0.56527%0.266SS*.Hα-helixtrans-72.5-45.3175.8-177.2-89.3000112K28 I29 H84 M85 L86K28-Y88 WeakPolarHBondContact O-CE1 3.43Å; I29-Y88 HydrophobicContact CB-CD1 3.83Å; I29-Y88 HydrophobicContact CB-CE1 3.99Å; I29-Y88 HydrophobicContact CD1-CD1 3.95Å; I29-Y88 HydrophobicContact CD1-CD2 4.48Å; I29-Y88 HydrophobicContact CD1-CG 3.88Å; I29-Y88 HydrophobicContact CG1-CD1 4.32Å; I29-Y88 HydrophobicContact CG2-CD1 4.48Å; H84-Y88 PolarHBondContact O-N 2.85Å; H84-Y88 VanDerWaalsContact O-N 3.13Å; M85-Y88 WeakPolarHBondContact O-CB 3.31Å; M85-Y88 PolarHBondContact O-N 2.76Å; L86-Y88 PolarHBondContact O-N 2.9Å
89L94Very high90.4Very high16 Ų1653.9 Ų53.98%0.08427%0.266CS..Hα-helixtrans-77.9-41.6-175.2-67.3169.6000112.9L8 F10 K28 I29 M85 L86L8-L89 HydrophobicContact CD2-CB 4.23Å; L8-L89 HydrophobicContact CD2-CD1 4.24Å; F10-L89 HydrophobicContact CE1-CD1 3.64Å; F10-L89 HydrophobicContact CZ-CD1 3.67Å; K28-L89 HydrophobicContact CB-CD2 3.56Å; K28-L89 HydrophobicContact CG-CD2 4.26Å; I29-L89 HydrophobicContact CG2-CD1 4.11Å; I29-L89 HydrophobicContact CG2-CD2 4.07Å; I29-L89 HydrophobicContact CG2-CG 4.15Å; M85-L89 WeakPolarHBondContact O-CB 3.34Å; M85-L89 VanDerWaalsContact O-CG 3.28Å; M85-L89 WeakPolarHBondContact O-CG 3.35Å; M85-L89 PolarHBondContact O-N 3.05Å; L86-L89 PolarHBondContact O-N 2.89Å
90T90.8Very high90.4Very high12 Ų1252.3 Ų52.37%0.07426%0.258CS..  trans-135.874.5-174.757.10000109.3L8 F21 L86 E92 A94L8-T90 HydrophobicContact CD1-CG2 4.01Å; L8-T90 HydrophobicContact CD2-CG2 4.25Å; F21-T90 HydrophobicContact CE1-CG2 4.25Å; F21-T90 HydrophobicContact CZ-CG2 3.98Å; L86-T90 CarbonylContact O-C 3.52Å; L86-T90 WeakPolarHBondContact O-CA 3.45Å; L86-T90 PolarHBondContact O-N 2.65Å; L86-T90 PolarHBondContact O-OG1 3.28Å; T90-E92 PolarHBondContact O-N 2.63Å; T90-A94 WeakPolarHBondContact OG1-CA 3.22Å
91P80.9Confident90.5Very high103 Ų10349.7 Ų49.767%0.66924%0.244SC*.SBendtrans-58.9-29.1-177.5-2230.9000113.8R87R87-P91 WeakPolarHBondContact O-CA 3.44Å; R87-P91 WeakPolarHBondContact O-CG 3.32Å
92E75.5Confident90.4Very high186 Ų18649.9 Ų49.987%0.86925%0.246SC*.SBendtrans-95.5-32-172.1-61.8-174.8172.400113.1T90T90-E92 PolarHBondContact O-N 2.63Å
93E79.5Confident90.4Very high102 Ų10250.1 Ų50.148%0.47725%0.247SC..  trans-166.177.2-171.1-124.5156-173.100115.9S95 H96 H97E93-S95 PolarHBondContact O-N 3.27Å; E93-H96 VanDerWaalsContact CD-ND1 3.35Å; E93-H96 PolarHBondContact O-N 2.95Å; E93-H96 IonicContact OE1-CE1 3.38Å; E93-H96 PolarHBondContact OE1-CE1 2.96Å; E93-H96 VanDerWaalsContact OE1-CE1 3.27Å; E93-H96 IonicContact OE1-NE2 2.78Å; E93-H96 IonicContact OE2-CE1 3.61Å; E93-H96 PolarHBondContact OE2-CE1 3.45Å; E93-H96 IonicContact OE2-ND1 3.87Å; E93-H96 PolarHBondContact OE2-ND1 3.36Å; E93-H96 IonicContact OE2-NE2 3.56Å; E93-H97 PolarHBondContact O-CD2 3.02Å
94A72.9Confident90.5Very high23 Ų2349.6 Ų49.619%0.1924%0.243CC..G310 helixtrans-59.1-29.8175.300000113.9L86 T90 H96 H97L86-A94 HydrophobicContact CB-CB 4.16Å; L86-A94 HydrophobicContact CD1-CB 4.12Å; L86-A94 HydrophobicContact CD2-CB 4.08Å; L86-A94 HydrophobicContact CG-CB 4.35Å; T90-A94 WeakPolarHBondContact OG1-CA 3.22Å; A94-H96 PolarHBondContact O-N 3.38Å; A94-H96 VanDerWaalsContact O-N 3.11Å; A94-H97 PolarHBondContact O-N 3.48Å
95S81.6Confident90.5Very high51 Ų5147.5 Ų47.536%0.35723%0.234SC..G310 helixtrans-68.5-6.2-178.250.20000114.5E93 P126E93-S95 PolarHBondContact O-N 3.27Å; S95-P126 WeakPolarHBondContact O-CD 3.41Å
96H86.8Confident90.4Very high94 Ų9449.7 Ų49.744%0.43524%0.243SC..G310 helixtrans-89.6-20.6176.2-69.6170000112.7V5 E93 A94V5-H96 WeakPolarHBondContact CG1-O 3.44Å; E93-H96 VanDerWaalsContact CD-ND1 3.35Å; E93-H96 PolarHBondContact O-N 2.95Å; E93-H96 IonicContact OE1-CE1 3.38Å; E93-H96 PolarHBondContact OE1-CE1 2.96Å; E93-H96 VanDerWaalsContact OE1-CE1 3.27Å; E93-H96 IonicContact OE1-NE2 2.78Å; E93-H96 IonicContact OE2-CE1 3.61Å; E93-H96 PolarHBondContact OE2-CE1 3.45Å; E93-H96 IonicContact OE2-ND1 3.87Å; E93-H96 PolarHBondContact OE2-ND1 3.36Å; E93-H96 IonicContact OE2-NE2 3.56Å; A94-H96 PolarHBondContact O-N 3.38Å; A94-H96 VanDerWaalsContact O-N 3.11Å
97H92.5Very high90.5Very high33 Ų3350.8 Ų50.815%0.15325%0.248CC..SBendtrans-103.2124.7-168.7-62.8-85.7000112.7G6 L8 F21 E93 A94 P126G6-H97 PolarHBondContact O-ND1 3.45Å; L8-H97 HydrophobicContact CD1-CB 3.82Å; L8-H97 HydrophobicContact CG-CB 3.84Å; F21-H97 AromaticContact CE1-CE1 3.97Å; E93-H97 PolarHBondContact O-CD2 3.02Å; A94-H97 PolarHBondContact O-N 3.48Å; H97-P126 VanDerWaalsContact O-CD 3.32Å; H97-P126 WeakPolarHBondContact O-CD 3.2Å
98P94.5Very high90.5Very high20 Ų2045.8 Ų45.813%0.1324%0.237CC..  trans-55.4146.7165.7-2434.3000111.2A7 L8 P126 A127 W390A7-P98 CarbonylContact C-O 3.58Å; A7-P98 WeakPolarHBondContact CA-O 3.43Å; A7-P98 HydrophobicContact CB-CB 4.11Å; L8-P98 PolarHBondContact N-O 3.49Å; P98-P126 HydrophobicContact CG-CG 4.36Å; P98-A127 CarbonylContact C-O 3.6Å; P98-A127 WeakPolarHBondContact CA-O 3.35Å; P98-A127 HydrophobicContact CB-CB 3.97Å; P98-A127 HydrophobicContact CG-CB 4.3Å; P98-W390 HydrophobicContact CB-CD2 4.35Å; P98-W390 HydrophobicContact CB-CE3 4.3Å; P98-W390 HydrophobicContact CB-CH2 3.9Å; P98-W390 HydrophobicContact CB-CZ2 3.97Å; P98-W390 HydrophobicContact CB-CZ3 4.09Å
99V95.7Very high90.5Very high0 Ų043.5 Ų43.50%023%0.23CC..EExtended strand (participates in β ladder)trans-117.9116.7-178.8170.10000111.1L8 F10 F101 L119 V125 A127 F128 Y129 W390L8-V99 HydrophobicContact CB-CG2 4.43Å; L8-V99 WeakPolarHBondContact O-CA 3.39Å; F10-V99 HydrophobicContact CD2-CG1 3.75Å; F10-V99 HydrophobicContact CE2-CG1 4.07Å; F10-V99 HydrophobicContact CE2-CG2 4.16Å; V99-F101 HydrophobicContact CG1-CD2 4.44Å; V99-L119 HydrophobicContact CG1-CD1 3.92Å; V99-L119 HydrophobicContact CG1-CD2 4.44Å; V99-V125 HydrophobicContact CB-CG1 4.4Å; V99-V125 HydrophobicContact CG2-CB 4.28Å; V99-V125 HydrophobicContact CG2-CG1 3.68Å; V99-A127 PolarHBondContact N-O 3.19Å; V99-F128 WeakPolarHBondContact O-CA 2.99Å; V99-F128 WeakPolarHBondContact O-CD2 3.38Å; V99-Y129 PolarHBondContact O-N 3.22Å; V99-W390 WeakPolarHBondContact O-CZ3 3.45Å
100L96.4Very high90.5Very high0 Ų046.9 Ų46.90%025%0.254CS..EExtended strand (participates in β ladder)trans-93.6128.8165.6-166.7152.6000109.3L8 V9 F10 Y129 L136 L380 F386 W390L8-L100 PolarHBondContact O-N 2.86Å; V9-L100 WeakPolarHBondContact CA-O 3.28Å; V9-L100 HydrophobicContact CG1-CD2 4.15Å; V9-L100 HydrophobicContact CG2-CB 4.29Å; F10-L100 PolarHBondContact N-O 3.29Å; L100-Y129 CarbonylContact C-O 3.44Å; L100-Y129 WeakPolarHBondContact CA-O 3.48Å; L100-L136 HydrophobicContact CD2-CD1 4.33Å; L100-L380 HydrophobicContact CD1-CB 4.39Å; L100-L380 HydrophobicContact CD1-CD2 4.14Å; L100-L380 HydrophobicContact CD1-CG 4.29Å; L100-F386 HydrophobicContact CD1-CE1 3.96Å; L100-F386 HydrophobicContact CD1-CZ 4.02Å; L100-W390 HydrophobicContact CB-CH2 3.84Å; L100-W390 HydrophobicContact CB-CZ3 4.22Å
101F96.2Very high90.8Very high4 Ų448.1 Ų48.12%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-116.2137.5178.3-144.8-89000110.4F10 F12 F78 V99 I115 F128 Y129 I130 A131F10-F101 HydrophobicContact CB-CD2 3.69Å; F10-F101 HydrophobicContact CB-CE2 3.66Å; F10-F101 HydrophobicContact CB-CG 4.5Å; F10-F101 HydrophobicContact CB-CZ 4.44Å; F10-F101 HydrophobicContact CG-CD2 4.46Å; F10-F101 HydrophobicContact CG-CE2 4.38Å; F12-F101 HydrophobicContact CB-CE1 4.17Å; F12-F101 HydrophobicContact CB-CZ 4.15Å; F12-F101 HydrophobicContact CD1-CE1 4.17Å; F12-F101 HydrophobicContact CD1-CE2 4Å; F12-F101 AromaticContact CD1-CZ 3.42Å; F12-F101 HydrophobicContact CD1-CZ 3.42Å; F12-F101 VanDerWaalsContact CD1-CZ 3.42Å; F12-F101 HydrophobicContact CD2-CE1 4.49Å; F12-F101 AromaticContact CD2-CZ 3.78Å; F12-F101 HydrophobicContact CD2-CZ 3.78Å; F12-F101 AromaticContact CE1-CE2 3.84Å; F12-F101 HydrophobicContact CE1-CE2 3.84Å; F12-F101 AromaticContact CE1-CZ 3.66Å; F12-F101 HydrophobicContact CE1-CZ 3.66Å; F12-F101 HydrophobicContact CE2-CZ 4.01Å; F12-F101 HydrophobicContact CG-CE1 4.02Å; F12-F101 HydrophobicContact CG-CE2 4.47Å; F12-F101 AromaticContact CG-CZ 3.5Å; F12-F101 HydrophobicContact CG-CZ 3.5Å; F12-F101 VanDerWaalsContact CG-CZ 3.5Å; F12-F101 HydrophobicContact CZ-CE2 4.17Å; F12-F101 AromaticContact CZ-CZ 3.94Å; F12-F101 HydrophobicContact CZ-CZ 3.94Å; F78-F101 HydrophobicContact CE2-CE2 4.13Å; F78-F101 AromaticContact CE2-CZ 3.83Å; F78-F101 HydrophobicContact CE2-CZ 3.83Å; F78-F101 HydrophobicContact CZ-CE2 4.33Å; F78-F101 HydrophobicContact CZ-CZ 4.36Å; V99-F101 HydrophobicContact CG1-CD2 4.44Å; F101-I115 HydrophobicContact CD1-CD1 4.5Å; F101-I115 HydrophobicContact CE1-CD1 4.46Å; F101-I115 HydrophobicContact CG-CG2 4.49Å; F101-F128 HydrophobicContact CB-CE2 3.91Å; F101-Y129 PolarHBondContact N-O 2.85Å; F101-I130 HydrophobicContact CB-CB 4.49Å; F101-I130 HydrophobicContact CB-CD1 4.38Å; F101-I130 HydrophobicContact CB-CG1 4.19Å; F101-I130 HydrophobicContact CD1-CD1 4.37Å; F101-I130 CarbonylContact O-C 3.56Å; F101-I130 VanDerWaalsContact O-CA 3.29Å; F101-I130 WeakPolarHBondContact O-CA 3.44Å; F101-A131 PolarHBondContact O-N 3.19Å
102S96.1Very high91.4Very high5 Ų544.2 Ų44.24%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-90.1148.4170.583.10000110.8F10 D11 A131 N133F10-S102 PolarHBondContact O-N 2.72Å; D11-S102 VanDerWaalsContact CA-OG 3.25Å; D11-S102 WeakPolarHBondContact CA-OG 3.32Å; D11-S102 WeakPolarHBondContact CB-OG 3.25Å; D11-S102 PolarHBondContact OD1-OG 3.26Å; S102-A131 CarbonylContact C-O 3.49Å; S102-A131 VanDerWaalsContact CA-O 3.29Å; S102-A131 WeakPolarHBondContact CA-O 3.1Å; S102-N133 WeakPolarHBondContact CB-OD1 3.4Å; S102-N133 PolarHBondContact OG-OD1 3.34Å; S102-N133 VanDerWaalsContact OG-OD1 3.1Å
103E96.3Very high92.4Very high5 Ų536.5 Ų36.52%0.02320%0.195CC..EExtended strand (participates in β ladder)trans-139.9151.7175.267.7176.6173.600114.2N107 R112 I130 A131 K132 N133E103-N107 HydrophobicContact CB-CB 4.29Å; E103-N107 HydrophobicContact CG-CB 4.48Å; E103-N107 WeakPolarHBondContact OE2-CB 3.05Å; E103-N107 PolarHBondContact OE2-ND2 3.19Å; E103-R112 VanDerWaalsContact OE1-CD 3.25Å; E103-R112 WeakPolarHBondContact OE1-CD 3.39Å; E103-R112 IonicContact OE1-NH1 2.9Å; E103-R112 PolarHBondContact OE1-NH1 3.29Å; E103-R112 VanDerWaalsContact OE1-NH1 3.17Å; E103-R112 WeakPolarHBondContact OE2-CD 3.32Å; E103-R112 WeakPolarHBondContact OE2-CG 3.5Å; E103-I130 HydrophobicContact CB-CD1 4Å; E103-I130 HydrophobicContact CB-CG1 4.02Å; E103-I130 HydrophobicContact CG-CD1 4.19Å; E103-I130 HydrophobicContact CG-CG1 3.85Å; E103-I130 WeakPolarHBondContact OE2-CD1 3.4Å; E103-A131 PolarHBondContact N-O 2.84Å; E103-K132 HydrophobicContact CG-CG 4.15Å; E103-K132 CarbonylContact O-C 3.49Å; E103-K132 VanDerWaalsContact O-CA 3.28Å; E103-K132 WeakPolarHBondContact O-CA 3.37Å; E103-N133 PolarHBondContact N-OD1 2.83Å; E103-N133 VanDerWaalsContact O-CG 3.26Å; E103-N133 PolarHBondContact O-N 3.08Å; E103-N133 PolarHBondContact O-OD1 2.92Å
104P96.2Very high93.2Very high17 Ų1734.5 Ų34.511%0.1118%0.184CC..  trans-63.3153.1167.1-20.533.6000112.3L71 W106 N107L71-P104 HydrophobicContact CD2-CB 4.23Å; L71-P104 HydrophobicContact CD2-CG 3.95Å; P104-W106 HydrophobicContact CB-CD2 3.77Å; P104-W106 VanDerWaalsContact CB-CE2 3.4Å; P104-W106 HydrophobicContact CB-CE3 4.08Å; P104-W106 HydrophobicContact CB-CG 4.43Å; P104-W106 HydrophobicContact CB-CH2 3.84Å; P104-W106 HydrophobicContact CB-CZ2 3.46Å; P104-W106 VanDerWaalsContact CB-CZ2 3.46Å; P104-W106 HydrophobicContact CB-CZ3 4.13Å; P104-W106 HydrophobicContact CG-CZ2 4.23Å; P104-W106 PolarHBondContact O-N 3.48Å; P104-W106 VanDerWaalsContact O-N 3.13Å; P104-N107 WeakPolarHBondContact O-CB 3.3Å; P104-N107 PolarHBondContact O-N 2.82Å; P104-N107 VanDerWaalsContact O-N 3.11Å
105S95.5Very high94.3Very high11 Ų1133.6 Ų33.68%0.07718%0.176CC..THydrogen-bonded Turntrans-70.3-12.6-174.6-59.70000114.4
106W95Very high95Very high45 Ų4531.1 Ų31.117%0.1716%0.159CC..THydrogen-bonded Turntrans-105.114.9177.356.790.1000112.7D69 P104 H155 V171 R173D69-W106 PolarHBondContact O-NE1 3.37Å; D69-W106 VanDerWaalsContact O-NE1 3.13Å; P104-W106 HydrophobicContact CB-CD2 3.77Å; P104-W106 VanDerWaalsContact CB-CE2 3.4Å; P104-W106 HydrophobicContact CB-CE3 4.08Å; P104-W106 HydrophobicContact CB-CG 4.43Å; P104-W106 HydrophobicContact CB-CH2 3.84Å; P104-W106 HydrophobicContact CB-CZ2 3.46Å; P104-W106 VanDerWaalsContact CB-CZ2 3.46Å; P104-W106 HydrophobicContact CB-CZ3 4.13Å; P104-W106 HydrophobicContact CG-CZ2 4.23Å; P104-W106 PolarHBondContact O-N 3.48Å; P104-W106 VanDerWaalsContact O-N 3.13Å; W106-H155 AromaticContact CH2-CD2 3.58Å; W106-H155 AromaticContact CH2-CE1 3.8Å; W106-H155 AromaticContact CH2-NE2 3.31Å; W106-H155 VanDerWaalsContact CH2-NE2 3.31Å; W106-H155 WeakPolarHBondContact CH2-NE2 3.33Å; W106-H155 AromaticContact CZ2-CD2 3.85Å; W106-H155 AromaticContact CZ2-CE1 3.31Å; W106-H155 WeakPolarHBondContact CZ2-CE1 3.37Å; W106-H155 AromaticContact CZ2-ND1 3.73Å; W106-H155 AromaticContact CZ2-NE2 3.33Å; W106-H155 VanDerWaalsContact CZ2-NE2 3.33Å; W106-H155 WeakPolarHBondContact CZ2-NE2 3.31Å; W106-V171 HydrophobicContact CE3-CG1 4.18Å; W106-V171 HydrophobicContact CZ3-CG1 4.44Å; W106-R173 VanDerWaalsContact CD1-NH1 3.27Å; W106-R173 VanDerWaalsContact CE3-CD 3.48Å; W106-R173 HydrophobicContact CE3-CG 4.31Å; W106-R173 HydrophobicContact CZ3-CG 4.15Å
107N95.3Very high95.4Very high29 Ų2929 Ų2916%0.15515%0.15CC..  trans-62.4155172.4-162.414.6000110.7L71 E103 P104 K111L71-N107 HydrophobicContact CD2-CB 3.93Å; E103-N107 HydrophobicContact CB-CB 4.29Å; E103-N107 HydrophobicContact CG-CB 4.48Å; E103-N107 WeakPolarHBondContact OE2-CB 3.05Å; E103-N107 PolarHBondContact OE2-ND2 3.19Å; P104-N107 WeakPolarHBondContact O-CB 3.3Å; P104-N107 PolarHBondContact O-N 2.82Å; P104-N107 VanDerWaalsContact O-N 3.11Å; N107-K111 WeakPolarHBondContact OD1-CB 3.22Å
108T94.4Very high95.5Very high62 Ų6227.7 Ų27.738%0.3814%0.143SC..  trans-101.4149.7-176.168.70000111.1S110 K111 R112T108-S110 VanDerWaalsContact C-N 3.27Å; T108-S110 PolarHBondContact O-N 3.46Å; T108-K111 PolarHBondContact O-N 3.46Å; T108-K111 VanDerWaalsContact OG1-CG 3.31Å; T108-K111 WeakPolarHBondContact OG1-CG 3.12Å; T108-K111 PolarHBondContact OG1-N 3.37Å; T108-R112 PolarHBondContact O-N 3.47Å
109K94Very high95.6Very high96 Ų9626.7 Ų26.742%0.41714%0.137SC..Hα-helixtrans-48.3-48172.1177.4174.7-175.6148.50112.8K111 R112 E113 D405K109-K111 VanDerWaalsContact C-N 3.29Å; K109-K111 PolarHBondContact O-N 3.43Å; K109-R112 WeakPolarHBondContact O-CB 3.39Å; K109-R112 PolarHBondContact O-N 2.93Å; K109-E113 WeakPolarHBondContact CE-OE1 3.28Å; K109-E113 HydrophobicContact CG-CG 4.39Å; K109-E113 WeakPolarHBondContact O-CG 3.36Å; K109-E113 PolarHBondContact O-N 3.22Å; K109-D405 HydrophobicContact CD-CB 4.26Å; K109-D405 WeakPolarHBondContact CD-OD2 3.39Å; K109-D405 WeakPolarHBondContact CE-OD2 3.25Å; K109-D405 HydrophobicContact CG-CB 4.26Å; K109-D405 IonicContact NZ-OD2 3.36Å; K109-D405 PolarHBondContact NZ-OD2 3.48Å
110S94.8Very high95.6Very high86 Ų8627.1 Ų27.160%0.60114%0.139SC*.Hα-helixtrans-60.9-37.1-178.9-176.90000112.7T108 K114T108-S110 VanDerWaalsContact C-N 3.27Å; T108-S110 PolarHBondContact O-N 3.46Å; S110-K114 WeakPolarHBondContact O-CB 3.39Å; S110-K114 PolarHBondContact O-N 2.97Å; S110-K114 VanDerWaalsContact O-N 3.14Å
111K95.9Very high95.5Very high39 Ų3932.5 Ų32.517%0.1716%0.164CC..Hα-helixtrans-73.1-38.3177.4-68.5-177.2-176-75.50111.2L71 I72 D73 W75 N107 T108 K109 K114 I115L71-K111 HydrophobicContact CB-CD 3.9Å; L71-K111 HydrophobicContact CD1-CD 4.1Å; I72-K111 PolarHBondContact O-NZ 3.39Å; D73-K111 IonicContact OD1-NZ 2.54Å; W75-K111 HydrophobicContact CH2-CB 4.21Å; W75-K111 WeakPolarHBondContact CH2-O 3.37Å; W75-K111 HydrophobicContact CZ2-CB 4.13Å; W75-K111 HydrophobicContact CZ2-CG 4.01Å; N107-K111 WeakPolarHBondContact OD1-CB 3.22Å; T108-K111 PolarHBondContact O-N 3.46Å; T108-K111 VanDerWaalsContact OG1-CG 3.31Å; T108-K111 WeakPolarHBondContact OG1-CG 3.12Å; T108-K111 PolarHBondContact OG1-N 3.37Å; K109-K111 VanDerWaalsContact C-N 3.29Å; K109-K111 PolarHBondContact O-N 3.43Å; K111-K114 PolarHBondContact O-N 3.01Å; K111-I115 WeakPolarHBondContact O-CG1 3.43Å; K111-I115 PolarHBondContact O-N 3.17Å
112R95.5Very high95.4Very high21 Ų2137.3 Ų37.38%0.07919%0.185CC..Hα-helixtrans-59.3-47.2173-65-161.1-70.7-168.72.4112.6E103 T108 K109 K114 I115 A116 I130 V404 D405 C408E103-R112 VanDerWaalsContact OE1-CD 3.25Å; E103-R112 WeakPolarHBondContact OE1-CD 3.39Å; E103-R112 IonicContact OE1-NH1 2.9Å; E103-R112 PolarHBondContact OE1-NH1 3.29Å; E103-R112 VanDerWaalsContact OE1-NH1 3.17Å; E103-R112 WeakPolarHBondContact OE2-CD 3.32Å; E103-R112 WeakPolarHBondContact OE2-CG 3.5Å; T108-R112 PolarHBondContact O-N 3.47Å; K109-R112 WeakPolarHBondContact O-CB 3.39Å; K109-R112 PolarHBondContact O-N 2.93Å; R112-K114 VanDerWaalsContact C-N 3.28Å; R112-K114 PolarHBondContact O-N 3.19Å; R112-I115 PolarHBondContact O-N 3.42Å; R112-A116 PolarHBondContact O-N 3.07Å; R112-I130 HydrophobicContact CG-CD1 4.3Å; R112-V404 HydrophobicContact CB-CG1 4.16Å; R112-D405 IonicContact CZ-OD1 2.73Å; R112-D405 IonicContact NH2-OD1 3.58Å; R112-D405 PolarHBondContact NH2-OD1 2.8Å; R112-C408 PolarHBondContact NH1-O 2.97Å
113E95.5Very high95.3Very high24 Ų2438.4 Ų38.411%0.11219%0.189CC..Hα-helixtrans-58.7-41.8176.1-74.1-179.1-177.200111.5K109 A116 E117 K401K109-E113 WeakPolarHBondContact CE-OE1 3.28Å; K109-E113 HydrophobicContact CG-CG 4.39Å; K109-E113 WeakPolarHBondContact O-CG 3.36Å; K109-E113 PolarHBondContact O-N 3.22Å; E113-A116 PolarHBondContact O-N 3.39Å; E113-E117 WeakPolarHBondContact O-CB 3.41Å; E113-E117 PolarHBondContact O-N 2.67Å; E113-K401 HydrophobicContact CB-CB 4.03Å; E113-K401 HydrophobicContact CB-CD 4.1Å; E113-K401 HydrophobicContact CB-CG 4.19Å; E113-K401 HydrophobicContact CG-CB 4.06Å; E113-K401 HydrophobicContact CG-CD 4.4Å; E113-K401 HydrophobicContact CG-CG 4.05Å; E113-K401 WeakPolarHBondContact OE2-CD 3.5Å; E113-K401 WeakPolarHBondContact OE2-CE 3.32Å; E113-K401 IonicContact OE2-NZ 3.27Å
114K96.3Very high95.2Very high60 Ų6045 Ų4526%0.26122%0.218SC..Hα-helixtrans-71.1-36.2-179.9-172.361.1179.2178.20113.2W75 S110 K111 R112 E117 I118W75-K114 HydrophobicContact CD2-CG 3.59Å; W75-K114 HydrophobicContact CE3-CB 4.46Å; W75-K114 HydrophobicContact CE3-CG 3.68Å; W75-K114 HydrophobicContact CG-CG 4.3Å; W75-K114 HydrophobicContact CH2-CB 3.61Å; W75-K114 HydrophobicContact CH2-CG 3.73Å; W75-K114 HydrophobicContact CZ2-CB 3.65Å; W75-K114 HydrophobicContact CZ2-CG 3.62Å; W75-K114 HydrophobicContact CZ3-CB 4.03Å; W75-K114 HydrophobicContact CZ3-CG 3.75Å; S110-K114 WeakPolarHBondContact O-CB 3.39Å; S110-K114 PolarHBondContact O-N 2.97Å; S110-K114 VanDerWaalsContact O-N 3.14Å; K111-K114 PolarHBondContact O-N 3.01Å; R112-K114 VanDerWaalsContact C-N 3.28Å; R112-K114 PolarHBondContact O-N 3.19Å; K114-E117 IonicContact NZ-OE1 3.77Å; K114-E117 PolarHBondContact NZ-OE1 3.17Å; K114-E117 IonicContact NZ-OE2 2.91Å; K114-E117 PolarHBondContact O-N 3.48Å; K114-I118 HydrophobicContact CD-CD1 4.41Å; K114-I118 HydrophobicContact CG-CD1 4.18Å; K114-I118 VanDerWaalsContact O-CG1 3.32Å; K114-I118 WeakPolarHBondContact O-CG1 3.37Å; K114-I118 PolarHBondContact O-N 3.35Å
115I96.3Very high95.2Very high3 Ų344.3 Ų44.32%0.01521%0.213CC..Hα-helixtrans-59.3-49.4171-67.1165000109.6I72 W75 F78 F101 K111 R112 E117 I118 L119 F128 I130I72-I115 HydrophobicContact CD1-CD1 3.89Å; I72-I115 HydrophobicContact CD1-CG1 3.91Å; W75-I115 HydrophobicContact CH2-CG1 3.87Å; W75-I115 HydrophobicContact CZ3-CG1 3.76Å; F78-I115 HydrophobicContact CZ-CG2 4.38Å; F101-I115 HydrophobicContact CD1-CD1 4.5Å; F101-I115 HydrophobicContact CE1-CD1 4.46Å; F101-I115 HydrophobicContact CG-CG2 4.49Å; K111-I115 WeakPolarHBondContact O-CG1 3.43Å; K111-I115 PolarHBondContact O-N 3.17Å; R112-I115 PolarHBondContact O-N 3.42Å; I115-E117 PolarHBondContact O-N 3.09Å; I115-I118 PolarHBondContact O-N 3.14Å; I115-L119 HydrophobicContact CG2-CD1 3.71Å; I115-L119 HydrophobicContact CG2-CG 4.3Å; I115-L119 WeakPolarHBondContact O-CB 3.47Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.07Å; I115-L119 PolarHBondContact O-N 3.47Å; I115-F128 HydrophobicContact CG2-CE2 4.02Å; I115-F128 HydrophobicContact CG2-CZ 3.99Å; I115-I130 HydrophobicContact CD1-CD1 4.01Å
116A95.1Very high95.1Very high0 Ų046.1 Ų46.10%022%0.224CC..Hα-helixtrans-62.4-44.2-179.900000112.2R112 E113 I118 L119 F120 F128 Y396 V404R112-A116 PolarHBondContact O-N 3.07Å; E113-A116 PolarHBondContact O-N 3.39Å; A116-I118 PolarHBondContact O-N 3.34Å; A116-L119 PolarHBondContact O-N 2.8Å; A116-F120 HydrophobicContact CB-CD2 4.33Å; A116-F120 HydrophobicContact CB-CE2 4.48Å; A116-F120 WeakPolarHBondContact O-CB 3.46Å; A116-F120 VanDerWaalsContact O-CD2 3.26Å; A116-F120 WeakPolarHBondContact O-CD2 3.49Å; A116-F120 PolarHBondContact O-N 3.17Å; A116-F128 HydrophobicContact CB-CD1 3.9Å; A116-F128 HydrophobicContact CB-CE1 3.67Å; A116-F128 HydrophobicContact CB-CZ 4.38Å; A116-Y396 HydrophobicContact CB-CE2 4.48Å; A116-V404 HydrophobicContact CB-CG2 3.55Å
117E95.4Very high95.1Very high50 Ų5044.5 Ų44.523%0.23422%0.221CC..Hα-helixtrans-53.7-52174.7-175.9-166.2128.500111E113 K114 I115 L119 E121 Y396E113-E117 WeakPolarHBondContact O-CB 3.41Å; E113-E117 PolarHBondContact O-N 2.67Å; K114-E117 IonicContact NZ-OE1 3.77Å; K114-E117 PolarHBondContact NZ-OE1 3.17Å; K114-E117 IonicContact NZ-OE2 2.91Å; K114-E117 PolarHBondContact O-N 3.48Å; I115-E117 PolarHBondContact O-N 3.09Å; E117-L119 PolarHBondContact O-N 3.13Å; E117-E121 WeakPolarHBondContact O-CB 3.23Å; E117-E121 WeakPolarHBondContact O-CG 3.48Å; E117-E121 PolarHBondContact O-N 2.93Å; E117-Y396 WeakPolarHBondContact CA-OH 3.38Å
118I96.1Very high95Very high4 Ų443.1 Ų43.12%0.02121%0.214CC..Iπ-helixtrans-62.8-44.9179.7-68.8169.4000111.2W75 F78 E79 K114 I115 A116 K122 F123W75-I118 HydrophobicContact CD2-CD1 4.3Å; W75-I118 HydrophobicContact CE3-CD1 3.49Å; W75-I118 VanDerWaalsContact CE3-CD1 3.49Å; W75-I118 HydrophobicContact CZ3-CD1 4.11Å; F78-I118 HydrophobicContact CD1-CD1 3.77Å; F78-I118 HydrophobicContact CD1-CG2 4.25Å; F78-I118 HydrophobicContact CE1-CB 4.25Å; F78-I118 HydrophobicContact CE1-CD1 4.02Å; F78-I118 HydrophobicContact CE1-CG2 3.85Å; E79-I118 HydrophobicContact CG-CD1 4.11Å; E79-I118 HydrophobicContact CG-CG1 4.44Å; E79-I118 HydrophobicContact CG-CG2 3.73Å; K114-I118 HydrophobicContact CD-CD1 4.41Å; K114-I118 HydrophobicContact CG-CD1 4.18Å; K114-I118 VanDerWaalsContact O-CG1 3.32Å; K114-I118 WeakPolarHBondContact O-CG1 3.37Å; K114-I118 PolarHBondContact O-N 3.35Å; I115-I118 PolarHBondContact O-N 3.14Å; A116-I118 PolarHBondContact O-N 3.34Å; I118-K122 HydrophobicContact CG2-CB 4.47Å; I118-K122 WeakPolarHBondContact O-CA 3.29Å; I118-K122 VanDerWaalsContact O-CB 3.24Å; I118-K122 WeakPolarHBondContact O-CB 3.37Å; I118-K122 PolarHBondContact O-N 2.92Å; I118-F123 HydrophobicContact CG2-CD2 3.8Å; I118-F123 HydrophobicContact CG2-CE2 3.56Å; I118-F123 PolarHBondContact O-N 2.58Å; I118-F123 VanDerWaalsContact O-N 3.14Å
119L95.4Very high95.1Very high0 Ų041.7 Ų41.70%020%0.201CC..Iπ-helixtrans-65.7-44.2-178.5-70.5175.2000112.3M82 V99 I115 A116 E117 F123 K124 V125 F128M82-L119 HydrophobicContact CE-CD2 4.1Å; M82-L119 HydrophobicContact CG-CD2 4.25Å; M82-L119 HydrophobicContact SD-CD2 4.27Å; V99-L119 HydrophobicContact CG1-CD1 3.92Å; V99-L119 HydrophobicContact CG1-CD2 4.44Å; I115-L119 HydrophobicContact CG2-CD1 3.71Å; I115-L119 HydrophobicContact CG2-CG 4.3Å; I115-L119 WeakPolarHBondContact O-CB 3.47Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.07Å; I115-L119 PolarHBondContact O-N 3.47Å; A116-L119 PolarHBondContact O-N 2.8Å; E117-L119 PolarHBondContact O-N 3.13Å; L119-F123 HydrophobicContact CD2-CD2 4.2Å; L119-F123 CarbonylContact O-C 3.42Å; L119-F123 WeakPolarHBondContact O-CB 3.37Å; L119-F123 PolarHBondContact O-N 3.19Å; L119-K124 PolarHBondContact O-N 2.97Å; L119-V125 HydrophobicContact CB-CG1 4.36Å; L119-V125 HydrophobicContact CB-CG2 3.88Å; L119-V125 HydrophobicContact CD2-CG1 4.45Å; L119-V125 PolarHBondContact O-N 3.35Å; L119-V125 VanDerWaalsContact O-N 3.1Å; L119-F128 HydrophobicContact CD1-CD2 3.41Å; L119-F128 VanDerWaalsContact CD1-CD2 3.41Å; L119-F128 HydrophobicContact CD1-CE2 3.44Å; L119-F128 VanDerWaalsContact CD1-CE2 3.44Å; L119-F128 HydrophobicContact CD1-CG 4.35Å; L119-F128 HydrophobicContact CD1-CZ 4.4Å
120F95.2Very high95.2Very high8 Ų837.1 Ų37.14%0.03518%0.182CC..Iπ-helixtrans-76.5-44.2179.9-76.5-59.3000113A116 K124 V125 F128 I391 Y396A116-F120 HydrophobicContact CB-CD2 4.33Å; A116-F120 HydrophobicContact CB-CE2 4.48Å; A116-F120 WeakPolarHBondContact O-CB 3.46Å; A116-F120 VanDerWaalsContact O-CD2 3.26Å; A116-F120 WeakPolarHBondContact O-CD2 3.49Å; A116-F120 PolarHBondContact O-N 3.17Å; F120-K124 WeakPolarHBondContact O-CA 3.16Å; F120-K124 PolarHBondContact O-N 3.16Å; F120-V125 HydrophobicContact CD1-CG2 3.88Å; F120-V125 VanDerWaalsContact CD1-O 3.29Å; F120-V125 WeakPolarHBondContact CD1-O 3.47Å; F120-V125 HydrophobicContact CE1-CG2 4.03Å; F120-V125 HydrophobicContact CG-CG2 4.48Å; F120-F128 HydrophobicContact CE1-CB 4.23Å; F120-F128 HydrophobicContact CE2-CB 3.75Å; F120-F128 HydrophobicContact CE2-CD1 4.23Å; F120-F128 HydrophobicContact CE2-CG 4.37Å; F120-F128 HydrophobicContact CZ-CB 3.51Å; F120-I391 HydrophobicContact CE2-CG2 4.28Å; F120-I391 HydrophobicContact CZ-CB 4.47Å; F120-I391 HydrophobicContact CZ-CG2 4.14Å; F120-I391 WeakPolarHBondContact CZ-O 3.17Å; F120-Y396 HydrophobicContact CB-CD1 3.85Å; F120-Y396 HydrophobicContact CB-CE1 3.92Å; F120-Y396 HydrophobicContact CB-CG 4.3Å; F120-Y396 AromaticContact CD2-CD1 3.87Å; F120-Y396 HydrophobicContact CD2-CD1 3.87Å; F120-Y396 AromaticContact CD2-CD2 3.44Å; F120-Y396 HydrophobicContact CD2-CD2 3.44Å; F120-Y396 VanDerWaalsContact CD2-CD2 3.44Å; F120-Y396 HydrophobicContact CD2-CE1 4.34Å; F120-Y396 AromaticContact CD2-CE2 3.93Å; F120-Y396 HydrophobicContact CD2-CE2 3.93Å; F120-Y396 AromaticContact CD2-CG 3.41Å; F120-Y396 HydrophobicContact CD2-CG 3.41Å; F120-Y396 VanDerWaalsContact CD2-CG 3.41Å; F120-Y396 AromaticContact CE2-CD2 3.77Å; F120-Y396 HydrophobicContact CE2-CD2 3.77Å; F120-Y396 AromaticContact CE2-CG 3.79Å; F120-Y396 HydrophobicContact CE2-CG 3.79Å; F120-Y396 AromaticContact CG-CD1 3.95Å; F120-Y396 HydrophobicContact CG-CD1 3.95Å; F120-Y396 HydrophobicContact CG-CD2 4.33Å; F120-Y396 HydrophobicContact CG-CE1 4.42Å; F120-Y396 AromaticContact CG-CG 3.91Å; F120-Y396 HydrophobicContact CG-CG 3.91Å
121E95.2Very high95.2Very high114 Ų11433.5 Ų33.553%0.53316%0.157SC..Iπ-helixtrans-86.4-44.1-170.9-60.4-179.9-156.800111.9E117 Y396E117-E121 WeakPolarHBondContact O-CB 3.23Å; E117-E121 WeakPolarHBondContact O-CG 3.48Å; E117-E121 PolarHBondContact O-N 2.93Å; E121-Y396 HydrophobicContact CG-CE1 4.17Å; E121-Y396 PolarHBondContact OE1-OH 3.07Å
122K94.3Very high95.2Very high104 Ų10432.7 Ų32.745%0.45215%0.153SC..Iπ-helixtrans-84.7-52.1-179.5-171.5174.5-174.1175.10111.9E79 I118E79-K122 HydrophobicContact CB-CD 4.41Å; E79-K122 HydrophobicContact CG-CD 4.03Å; E79-K122 VanDerWaalsContact OE2-CD 3.27Å; E79-K122 WeakPolarHBondContact OE2-CD 3.4Å; E79-K122 WeakPolarHBondContact OE2-CE 3.18Å; E79-K122 IonicContact OE2-NZ 2.98Å; E79-K122 PolarHBondContact OE2-NZ 3.49Å; I118-K122 HydrophobicContact CG2-CB 4.47Å; I118-K122 WeakPolarHBondContact O-CA 3.29Å; I118-K122 VanDerWaalsContact O-CB 3.24Å; I118-K122 WeakPolarHBondContact O-CB 3.37Å; I118-K122 PolarHBondContact O-N 2.92Å
123F94.2Very high95.3Very high28 Ų2833 Ų3312%0.12316%0.156CC..SBendtrans-89.3-11-175.8-64.3-70.9000114.2M82 S83 L86 I118 L119 V125M82-F123 HydrophobicContact CB-CE1 4.47Å; M82-F123 HydrophobicContact CB-CE2 3.73Å; M82-F123 HydrophobicContact CB-CZ 3.66Å; M82-F123 HydrophobicContact CG-CD2 4.03Å; M82-F123 HydrophobicContact CG-CE1 4.37Å; M82-F123 HydrophobicContact CG-CE2 3.63Å; M82-F123 HydrophobicContact CG-CZ 3.82Å; S83-F123 VanDerWaalsContact OG-CE1 3.31Å; S83-F123 WeakPolarHBondContact OG-CE1 3.49Å; S83-F123 WeakPolarHBondContact OG-CZ 3.32Å; L86-F123 HydrophobicContact CD1-CB 4.21Å; L86-F123 HydrophobicContact CD1-CD1 3.45Å; L86-F123 VanDerWaalsContact CD1-CD1 3.45Å; L86-F123 HydrophobicContact CD1-CE1 3.93Å; L86-F123 HydrophobicContact CD1-CG 3.84Å; I118-F123 HydrophobicContact CG2-CD2 3.8Å; I118-F123 HydrophobicContact CG2-CE2 3.56Å; I118-F123 PolarHBondContact O-N 2.58Å; I118-F123 VanDerWaalsContact O-N 3.14Å; L119-F123 HydrophobicContact CD2-CD2 4.2Å; L119-F123 CarbonylContact O-C 3.42Å; L119-F123 WeakPolarHBondContact O-CB 3.37Å; L119-F123 PolarHBondContact O-N 3.19Å; F123-V125 VanDerWaalsContact C-N 3.25Å; F123-V125 HydrophobicContact CB-CG1 4.24Å; F123-V125 PolarHBondContact O-N 3.2Å
124K94.6Very high95.4Very high145 Ų14532 Ų3263%0.6315%0.153SC*.  trans54.340.9175.8-56.5-178.9-178.5178.80113L119 F120L119-K124 PolarHBondContact O-N 2.97Å; F120-K124 WeakPolarHBondContact O-CA 3.16Å; F120-K124 PolarHBondContact O-N 3.16Å
125V94.4Very high95.4Very high1 Ų130.3 Ų30.31%0.00615%0.15CC..  trans-64.2141.6174.8-54.80000109.6V99 L119 F120 F123 A127 F128V99-V125 HydrophobicContact CB-CG1 4.4Å; V99-V125 HydrophobicContact CG2-CB 4.28Å; V99-V125 HydrophobicContact CG2-CG1 3.68Å; L119-V125 HydrophobicContact CB-CG1 4.36Å; L119-V125 HydrophobicContact CB-CG2 3.88Å; L119-V125 HydrophobicContact CD2-CG1 4.45Å; L119-V125 PolarHBondContact O-N 3.35Å; L119-V125 VanDerWaalsContact O-N 3.1Å; F120-V125 HydrophobicContact CD1-CG2 3.88Å; F120-V125 VanDerWaalsContact CD1-O 3.29Å; F120-V125 WeakPolarHBondContact CD1-O 3.47Å; F120-V125 HydrophobicContact CE1-CG2 4.03Å; F120-V125 HydrophobicContact CG-CG2 4.48Å; F123-V125 VanDerWaalsContact C-N 3.25Å; F123-V125 HydrophobicContact CB-CG1 4.24Å; F123-V125 PolarHBondContact O-N 3.2Å; V125-A127 VanDerWaalsContact C-N 3.33Å; V125-F128 HydrophobicContact CG2-CB 4.42Å
126P94.1Very high95.5Very high49 Ų4930.3 Ų30.332%0.31815%0.15SC..SBendtrans-74.2-29.4-176.629.1-32.3000111.9S95 H97 P98 S393S95-P126 WeakPolarHBondContact O-CD 3.41Å; H97-P126 VanDerWaalsContact O-CD 3.32Å; H97-P126 WeakPolarHBondContact O-CD 3.2Å; P98-P126 HydrophobicContact CG-CG 4.36Å; P126-S393 PolarHBondContact O-N 3.06Å
127A94.6Very high95.6Very high12 Ų1230.4 Ų30.410%0.09915%0.15CC..EExtended strand (participates in β ladder)trans-152.4153.1-179.700000111.4P98 V99 V125 W390 I391P98-A127 CarbonylContact C-O 3.6Å; P98-A127 WeakPolarHBondContact CA-O 3.35Å; P98-A127 HydrophobicContact CB-CB 3.97Å; P98-A127 HydrophobicContact CG-CB 4.3Å; V99-A127 PolarHBondContact N-O 3.19Å; V125-A127 VanDerWaalsContact C-N 3.33Å; A127-W390 HydrophobicContact CB-CB 4.03Å; A127-W390 HydrophobicContact CB-CD2 4.4Å; A127-W390 HydrophobicContact CB-CE3 4.34Å; A127-W390 HydrophobicContact CB-CG 4.28Å; A127-I391 CarbonylContact C-O 3.51Å; A127-I391 WeakPolarHBondContact CA-O 3.36Å
128F94.1Very high95.7Very high0 Ų028.1 Ų28.10%014%0.14CC..EExtended strand (participates in β ladder)trans-141.1145.3-177.3167.7-109.9000111.1V99 F101 I115 A116 L119 F120 V125 I130 I391 V404V99-F128 WeakPolarHBondContact O-CA 2.99Å; V99-F128 WeakPolarHBondContact O-CD2 3.38Å; F101-F128 HydrophobicContact CB-CE2 3.91Å; I115-F128 HydrophobicContact CG2-CE2 4.02Å; I115-F128 HydrophobicContact CG2-CZ 3.99Å; A116-F128 HydrophobicContact CB-CD1 3.9Å; A116-F128 HydrophobicContact CB-CE1 3.67Å; A116-F128 HydrophobicContact CB-CZ 4.38Å; L119-F128 HydrophobicContact CD1-CD2 3.41Å; L119-F128 VanDerWaalsContact CD1-CD2 3.41Å; L119-F128 HydrophobicContact CD1-CE2 3.44Å; L119-F128 VanDerWaalsContact CD1-CE2 3.44Å; L119-F128 HydrophobicContact CD1-CG 4.35Å; L119-F128 HydrophobicContact CD1-CZ 4.4Å; F120-F128 HydrophobicContact CE1-CB 4.23Å; F120-F128 HydrophobicContact CE2-CB 3.75Å; F120-F128 HydrophobicContact CE2-CD1 4.23Å; F120-F128 HydrophobicContact CE2-CG 4.37Å; F120-F128 HydrophobicContact CZ-CB 3.51Å; V125-F128 HydrophobicContact CG2-CB 4.42Å; F128-I130 HydrophobicContact CE1-CB 4.25Å; F128-I130 HydrophobicContact CE1-CG2 4.26Å; F128-I130 HydrophobicContact CE2-CB 4.28Å; F128-I130 HydrophobicContact CZ-CB 3.67Å; F128-I130 HydrophobicContact CZ-CD1 4.27Å; F128-I130 HydrophobicContact CZ-CG2 4.11Å; F128-I391 HydrophobicContact CD1-CD1 4.44Å; F128-I391 PolarHBondContact N-O 2.67Å; F128-I391 WeakPolarHBondContact O-CB 3.47Å; F128-I391 PolarHBondContact O-N 2.97Å; F128-V404 HydrophobicContact CD1-CG2 4.46Å; F128-V404 HydrophobicContact CE1-CG1 3.93Å; F128-V404 HydrophobicContact CE1-CG2 4.2Å
129Y95.6Very high95.6Very high31 Ų3131.7 Ų31.712%0.12216%0.155CC..EExtended strand (participates in β ladder)trans-146.4147.5166.3-168.3-95.5000109.8V99 L100 F101 A131 F386 M389 C408V99-Y129 PolarHBondContact O-N 3.22Å; L100-Y129 CarbonylContact C-O 3.44Å; L100-Y129 WeakPolarHBondContact CA-O 3.48Å; F101-Y129 PolarHBondContact N-O 2.85Å; Y129-A131 HydrophobicContact CD1-CB 4.23Å; Y129-A131 HydrophobicContact CE1-CB 3.94Å; Y129-F386 HydrophobicContact CD1-CE2 4.07Å; Y129-F386 AromaticContact CD1-CZ 3.49Å; Y129-F386 HydrophobicContact CD1-CZ 3.49Å; Y129-F386 VanDerWaalsContact CD1-CZ 3.49Å; Y129-F386 HydrophobicContact CD2-CZ 4.13Å; Y129-F386 HydrophobicContact CE1-CE2 4.02Å; Y129-F386 AromaticContact CE1-CZ 3.92Å; Y129-F386 HydrophobicContact CE1-CZ 3.92Å; Y129-F386 HydrophobicContact CG-CE1 4.47Å; Y129-F386 HydrophobicContact CG-CE2 4.33Å; Y129-F386 AromaticContact CG-CZ 3.58Å; Y129-F386 HydrophobicContact CG-CZ 3.58Å; Y129-M389 HydrophobicContact CD2-CB 4.37Å; Y129-M389 WeakPolarHBondContact CD2-O 3.43Å; Y129-M389 HydrophobicContact CE2-CB 4.14Å; Y129-M389 HydrophobicContact CE2-CE 4.09Å; Y129-C408 VanDerWaalsContact CE2-SG 3.59Å
130I95.8Very high95.6Very high1 Ų133 Ų331%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-124.8134.7175-168.2159.9000110.2F101 E103 R112 I115 F128 V404 C408F101-I130 HydrophobicContact CB-CB 4.49Å; F101-I130 HydrophobicContact CB-CD1 4.38Å; F101-I130 HydrophobicContact CB-CG1 4.19Å; F101-I130 HydrophobicContact CD1-CD1 4.37Å; F101-I130 CarbonylContact O-C 3.56Å; F101-I130 VanDerWaalsContact O-CA 3.29Å; F101-I130 WeakPolarHBondContact O-CA 3.44Å; E103-I130 HydrophobicContact CB-CD1 4Å; E103-I130 HydrophobicContact CB-CG1 4.02Å; E103-I130 HydrophobicContact CG-CD1 4.19Å; E103-I130 HydrophobicContact CG-CG1 3.85Å; E103-I130 WeakPolarHBondContact OE2-CD1 3.4Å; R112-I130 HydrophobicContact CG-CD1 4.3Å; I115-I130 HydrophobicContact CD1-CD1 4.01Å; F128-I130 HydrophobicContact CE1-CB 4.25Å; F128-I130 HydrophobicContact CE1-CG2 4.26Å; F128-I130 HydrophobicContact CE2-CB 4.28Å; F128-I130 HydrophobicContact CZ-CB 3.67Å; F128-I130 HydrophobicContact CZ-CD1 4.27Å; F128-I130 HydrophobicContact CZ-CG2 4.11Å; I130-V404 HydrophobicContact CG2-CG1 3.92Å; I130-C408 HydrophobicContact CG2-CB 3.61Å; I130-C408 WeakPolarHBondContact O-CB 3.3Å
131A95.4Very high95.6Very high10 Ų1034.7 Ų34.78%0.08318%0.176CC..EExtended strand (participates in β ladder)trans-133.6140.6-175.400000111.2F101 S102 E103 Y129 L136F101-A131 PolarHBondContact O-N 3.19Å; S102-A131 CarbonylContact C-O 3.49Å; S102-A131 VanDerWaalsContact CA-O 3.29Å; S102-A131 WeakPolarHBondContact CA-O 3.1Å; E103-A131 PolarHBondContact N-O 2.84Å; Y129-A131 HydrophobicContact CD1-CB 4.23Å; Y129-A131 HydrophobicContact CE1-CB 3.94Å; A131-L136 HydrophobicContact CB-CD1 3.96Å; A131-L136 HydrophobicContact CB-CD2 3.62Å; A131-L136 HydrophobicContact CB-CG 3.79Å
132K96.4Very high95.6Very high22 Ų2232.4 Ų32.410%0.09618%0.183CC..EExtended strand (participates in β ladder)trans-69.2136.8179.3-67169.1-172.11400111.1E103 A134 A135 L136 V166 T168 A409E103-K132 HydrophobicContact CG-CG 4.15Å; E103-K132 CarbonylContact O-C 3.49Å; E103-K132 VanDerWaalsContact O-CA 3.28Å; E103-K132 WeakPolarHBondContact O-CA 3.37Å; K132-A134 PolarHBondContact O-N 2.88Å; K132-A134 VanDerWaalsContact O-N 3.11Å; K132-A135 PolarHBondContact O-N 3.11Å; K132-L136 PolarHBondContact O-N 2.84Å; K132-L136 VanDerWaalsContact O-N 3.12Å; K132-V166 HydrophobicContact CB-CG2 3.75Å; K132-V166 HydrophobicContact CD-CB 3.55Å; K132-V166 HydrophobicContact CD-CG1 3.93Å; K132-V166 HydrophobicContact CD-CG2 3.62Å; K132-V166 HydrophobicContact CG-CG2 4.33Å; K132-T168 HydrophobicContact CD-CG2 4.35Å; K132-A409 PolarHBondContact NZ-OXT 3.07Å
133N97Very high95.6Very high26 Ų2632 Ų3214%0.13918%0.179CC..Hα-helixtrans-50.5-40.5-178.1-70.2-6.3000113.2S102 E103 L136 T137S102-N133 WeakPolarHBondContact CB-OD1 3.4Å; S102-N133 PolarHBondContact OG-OD1 3.34Å; S102-N133 VanDerWaalsContact OG-OD1 3.1Å; E103-N133 PolarHBondContact N-OD1 2.83Å; E103-N133 VanDerWaalsContact O-CG 3.26Å; E103-N133 PolarHBondContact O-N 3.08Å; E103-N133 PolarHBondContact O-OD1 2.92Å; N133-L136 PolarHBondContact O-N 2.78Å; N133-T137 WeakPolarHBondContact O-CB 3.49Å; N133-T137 PolarHBondContact O-N 2.79Å; N133-T137 PolarHBondContact O-OG1 3.41Å
134A97.7Very high95.7Very high4 Ų436.2 Ų36.23%0.03320%0.199CC..Hα-helixtrans-68.1-42.3-179.100000112.6K132 T137 C138 V148 V159 V161 V166K132-A134 PolarHBondContact O-N 2.88Å; K132-A134 VanDerWaalsContact O-N 3.11Å; A134-T137 PolarHBondContact O-N 2.9Å; A134-C138 PolarHBondContact O-N 2.79Å; A134-V148 HydrophobicContact CB-CB 4.09Å; A134-V148 HydrophobicContact CB-CG2 4.09Å; A134-V159 HydrophobicContact CB-CB 3.58Å; A134-V159 HydrophobicContact CB-CG1 3.27Å; A134-V159 HydrophobicContact CB-CG2 4.26Å; A134-V161 HydrophobicContact CB-CG2 3.85Å; A134-V166 HydrophobicContact CB-CG2 4.35Å
135A96.9Very high95.8Very high24 Ų2429.9 Ų29.920%0.19817%0.172CC..Hα-helixtrans-63-44.5175.400000110.9K132 T137 C138 F139 V166K132-A135 PolarHBondContact O-N 3.11Å; A135-T137 VanDerWaalsContact C-N 3.34Å; A135-T137 PolarHBondContact O-N 2.78Å; A135-C138 PolarHBondContact O-N 2.89Å; A135-F139 WeakPolarHBondContact O-CB 3.35Å; A135-F139 PolarHBondContact O-N 2.86Å; A135-V166 HydrophobicContact CB-CG2 3.86Å
136L97.3Very high96Very high3 Ų329.9 Ų29.92%0.01617%0.172CC..Hα-helixtrans-60.9-42.4174.8-63.5-179.2000111.7L100 A131 K132 N133 F139 A140 S373 G376 L380L100-L136 HydrophobicContact CD2-CD1 4.33Å; A131-L136 HydrophobicContact CB-CD1 3.96Å; A131-L136 HydrophobicContact CB-CD2 3.62Å; A131-L136 HydrophobicContact CB-CG 3.79Å; K132-L136 PolarHBondContact O-N 2.84Å; K132-L136 VanDerWaalsContact O-N 3.12Å; N133-L136 PolarHBondContact O-N 2.78Å; L136-F139 WeakPolarHBondContact O-CB 3.34Å; L136-F139 PolarHBondContact O-N 3.2Å; L136-A140 WeakPolarHBondContact O-CB 3.47Å; L136-A140 PolarHBondContact O-N 3.47Å; L136-S373 WeakPolarHBondContact CB-O 3.19Å; L136-S373 WeakPolarHBondContact CD1-O 3.07Å; L136-G376 VanDerWaalsContact O-CA 3.23Å; L136-G376 WeakPolarHBondContact O-CA 3.29Å; L136-L380 HydrophobicContact CD2-CB 4.48Å; L136-L380 HydrophobicContact CD2-CD2 3.71Å
137T97.9Very high96.2Very high3 Ų327.5 Ų27.52%0.01816%0.157CC..Hα-helixtrans-63.2-45.4177.4-63.10000112.1N133 A134 A135 F139 A140 N141 V148 I329 V331N133-T137 WeakPolarHBondContact O-CB 3.49Å; N133-T137 PolarHBondContact O-N 2.79Å; N133-T137 PolarHBondContact O-OG1 3.41Å; A134-T137 PolarHBondContact O-N 2.9Å; A135-T137 VanDerWaalsContact C-N 3.34Å; A135-T137 PolarHBondContact O-N 2.78Å; T137-F139 VanDerWaalsContact C-N 3.28Å; T137-F139 PolarHBondContact O-N 3.12Å; T137-A140 PolarHBondContact O-N 2.89Å; T137-N141 PolarHBondContact O-N 2.9Å; T137-N141 PolarHBondContact O-ND2 2.94Å; T137-V148 HydrophobicContact CG2-CG1 3.69Å; T137-V148 HydrophobicContact CG2-CG2 3.97Å; T137-I329 HydrophobicContact CG2-CG2 4.04Å; T137-V331 HydrophobicContact CG2-CB 4.46Å; T137-V331 HydrophobicContact CG2-CG1 3.73Å; T137-V331 HydrophobicContact CG2-CG2 3.94Å
138C97.2Very high96.4Very high1 Ų127.1 Ų27.11%0.00715%0.153CC..Hα-helixtrans-57-46.5172.9-82.40000110.7A134 A135 A140 N141 G142 R143 V148 V161 I329A134-C138 PolarHBondContact O-N 2.79Å; A135-C138 PolarHBondContact O-N 2.89Å; C138-A140 PolarHBondContact O-N 3.11Å; C138-N141 CarbonylContact O-C 3.58Å; C138-N141 PolarHBondContact O-N 2.55Å; C138-N141 VanDerWaalsContact O-N 3.08Å; C138-G142 PolarHBondContact O-N 3.4Å; C138-R143 CarbonylContact C-O 3.5Å; C138-R143 VanDerWaalsContact CB-O 3.31Å; C138-R143 WeakPolarHBondContact CB-O 3.46Å; C138-R143 PolarHBondContact O-N 3.14Å; C138-V148 VanDerWaalsContact SG-CG2 3.53Å; C138-V161 HydrophobicContact CB-CG1 4.34Å; C138-I329 HydrophobicContact CB-CD1 4.48Å
139F94.5Very high96.6Very high79 Ų7927.1 Ų27.135%0.34615%0.153SC..Hα-helixtrans-60.8-45179.3-164.2-109.9000112.6A135 L136 T137 N141 G142 I379 L380 L383A135-F139 WeakPolarHBondContact O-CB 3.35Å; A135-F139 PolarHBondContact O-N 2.86Å; L136-F139 WeakPolarHBondContact O-CB 3.34Å; L136-F139 PolarHBondContact O-N 3.2Å; T137-F139 VanDerWaalsContact C-N 3.28Å; T137-F139 PolarHBondContact O-N 3.12Å; F139-N141 PolarHBondContact O-N 2.73Å; F139-G142 PolarHBondContact O-N 2.9Å; F139-I379 HydrophobicContact CD1-CB 4.26Å; F139-I379 HydrophobicContact CD1-CG2 4.2Å; F139-I379 HydrophobicContact CE1-CB 3.95Å; F139-I379 HydrophobicContact CE1-CG2 3.49Å; F139-I379 VanDerWaalsContact CE1-CG2 3.49Å; F139-I379 HydrophobicContact CZ-CG2 4.25Å; F139-L380 HydrophobicContact CD1-CB 4.13Å; F139-L380 HydrophobicContact CE1-CB 4.09Å; F139-L380 HydrophobicContact CE1-CD1 4.37Å; F139-L383 HydrophobicContact CE1-CD1 3.93Å; F139-L383 HydrophobicContact CE2-CD1 4.47Å; F139-L383 HydrophobicContact CZ-CD1 3.46Å; F139-L383 VanDerWaalsContact CZ-CD1 3.46Å
140A95.9Very high96.7Very high28 Ų2827.1 Ų27.123%0.23116%0.155CC..Hα-helixtrans-57.8-30.2174.600000113.2L136 T137 C138 S372 I375L136-A140 WeakPolarHBondContact O-CB 3.47Å; L136-A140 PolarHBondContact O-N 3.47Å; T137-A140 PolarHBondContact O-N 2.89Å; C138-A140 PolarHBondContact O-N 3.11Å; A140-S372 WeakPolarHBondContact CB-O 3.45Å; A140-I375 HydrophobicContact CB-CB 4.3Å; A140-I375 HydrophobicContact CB-CG2 3.96Å
141N95.6Very high96.8Very high43 Ų4327.1 Ų27.123%0.2316%0.155CC..THydrogen-bonded Turntrans-93.29.2178.8-74.2-94.8000113T137 C138 F139 R143 I329 S372T137-N141 PolarHBondContact O-N 2.9Å; T137-N141 PolarHBondContact O-ND2 2.94Å; C138-N141 CarbonylContact O-C 3.58Å; C138-N141 PolarHBondContact O-N 2.55Å; C138-N141 VanDerWaalsContact O-N 3.08Å; F139-N141 PolarHBondContact O-N 2.73Å; N141-R143 VanDerWaalsContact C-N 3.28Å; N141-R143 HydrophobicContact CB-CG 4.41Å; N141-R143 PolarHBondContact O-N 3.36Å; N141-I329 HydrophobicContact CB-CD1 4.09Å; N141-S372 PolarHBondContact ND2-OG 3.37Å
142G94.4Very high96.9Very high67 Ų6727.3 Ų27.369%0.69116%0.158SC*.THydrogen-bonded Turntrans6529.9-17900000113.4C138 F139C138-G142 PolarHBondContact O-N 3.4Å; F139-G142 PolarHBondContact O-N 2.9Å
143R95.2Very high96.9Very high95 Ų9527 Ų2736%0.35816%0.16SC..  trans-120.4136.8-179.9-56.8-65.1176.2175.9-7.9109.6C138 N141 N327 I329C138-R143 CarbonylContact C-O 3.5Å; C138-R143 VanDerWaalsContact CB-O 3.31Å; C138-R143 WeakPolarHBondContact CB-O 3.46Å; C138-R143 PolarHBondContact O-N 3.14Å; N141-R143 VanDerWaalsContact C-N 3.28Å; N141-R143 HydrophobicContact CB-CG 4.41Å; N141-R143 PolarHBondContact O-N 3.36Å; R143-N327 PolarHBondContact NH1-OD1 3.44Å; R143-I329 HydrophobicContact CB-CD1 4.23Å; R143-I329 HydrophobicContact CG-CD1 4.14Å
144H95.1Very high96.8Very high117 Ų11728.2 Ų28.254%0.54217%0.165SC..SBendtrans-97.4-18.3167.852.7-82.8000111.8D163 G164H144-D163 IonicContact CD2-OD1 3.73Å; H144-D163 PolarHBondContact CD2-OD1 3Å; H144-D163 IonicContact NE2-OD1 3.9Å; H144-D163 PolarHBondContact O-N 3.08Å; H144-G164 PolarHBondContact O-N 3.5Å
145T97.5Very high96.6Very high12 Ų1229 Ų297%0.07417%0.169CC..SBendtrans-131.1133.8179.1-63.80000110.3V161 Y162 D163 L324 N327T145-V161 CarbonylContact C-O 3.24Å; T145-V161 VanDerWaalsContact CA-O 3.28Å; T145-V161 WeakPolarHBondContact CA-O 3.45Å; T145-Y162 HydrophobicContact CG2-CD2 3.6Å; T145-Y162 HydrophobicContact CG2-CE2 4.18Å; T145-D163 PolarHBondContact OG1-N 2.91Å; T145-L324 HydrophobicContact CG2-CD2 4.36Å; T145-N327 WeakPolarHBondContact O-CB 3.43Å
146G98Very high96.6Very high0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans167.6172178.100000112.1V161 L324 N327G146-V161 PolarHBondContact N-O 2.88Å; G146-V161 PolarHBondContact O-N 2.97Å; G146-V161 VanDerWaalsContact O-O 3.05Å; G146-L324 WeakPolarHBondContact O-CD2 3.34Å; G146-N327 CarbonylContact C-O 3.5Å; G146-N327 WeakPolarHBondContact CA-O 3.32Å
147L98.7Very high96.6Very high0 Ų028 Ų280%016%0.16CC..EExtended strand (participates in β ladder)trans-105.8123.3170.7-179145.1000109.6L149 A158 V309 I313 N327 V328 I329L147-L149 HydrophobicContact CD2-CB 4.46Å; L147-A158 HydrophobicContact CD1-CB 4.36Å; L147-A158 HydrophobicContact CD2-CB 4.14Å; L147-V309 HydrophobicContact CD1-CG1 4.37Å; L147-V309 HydrophobicContact CD2-CB 4.22Å; L147-V309 HydrophobicContact CD2-CG1 3.9Å; L147-V309 HydrophobicContact CD2-CG2 3.8Å; L147-I313 HydrophobicContact CD1-CD1 4.03Å; L147-I313 HydrophobicContact CD1-CG1 3.49Å; L147-I313 VanDerWaalsContact CD1-CG1 3.49Å; L147-N327 PolarHBondContact N-O 3.13Å; L147-V328 HydrophobicContact CD2-CG1 4.24Å; L147-V328 CarbonylContact O-C 3.56Å; L147-V328 WeakPolarHBondContact O-CA 3.17Å; L147-I329 PolarHBondContact O-N 3.37Å
148V98.6Very high96.7Very high3 Ų327.9 Ų27.92%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-90.3119.3175.3-179.40000109.3A134 T137 C138 D150 A158 V159 V161 I329 V331A134-V148 HydrophobicContact CB-CB 4.09Å; A134-V148 HydrophobicContact CB-CG2 4.09Å; T137-V148 HydrophobicContact CG2-CG1 3.69Å; T137-V148 HydrophobicContact CG2-CG2 3.97Å; C138-V148 VanDerWaalsContact SG-CG2 3.53Å; V148-D150 HydrophobicContact CG1-CB 4.48Å; V148-A158 CarbonylContact O-C 3.59Å; V148-A158 WeakPolarHBondContact O-CA 3.29Å; V148-V159 PolarHBondContact N-O 3.09Å; V148-V159 PolarHBondContact O-N 3.41Å; V148-V161 HydrophobicContact CG2-CG2 4.43Å; V148-I329 CarbonylContact C-O 3.31Å; V148-I329 WeakPolarHBondContact CA-O 3.25Å; V148-V331 HydrophobicContact CG1-CG2 3.9Å
149L98.6Very high96.7Very high0 Ų028 Ų280%016%0.16CC..EExtended strand (participates in β ladder)trans-99.5102.4166.2-179.667.8000108.6L147 T156 S157 A158 I308 V309 I329 V330 V331 F340 L344L147-L149 HydrophobicContact CD2-CB 4.46Å; L149-T156 HydrophobicContact CD1-CG2 3.53Å; L149-T156 HydrophobicContact CG-CG2 4.31Å; L149-S157 CarbonylContact C-O 3.58Å; L149-S157 WeakPolarHBondContact CA-O 3.22Å; L149-A158 HydrophobicContact CD1-CB 4.47Å; L149-I308 HydrophobicContact CD1-CD1 3.56Å; L149-I308 HydrophobicContact CD1-CG1 4.07Å; L149-V309 HydrophobicContact CB-CG2 4.21Å; L149-V309 HydrophobicContact CD1-CG2 3.88Å; L149-V309 HydrophobicContact CD2-CG2 4.03Å; L149-V309 HydrophobicContact CG-CG2 4.27Å; L149-I329 PolarHBondContact N-O 2.83Å; L149-V330 HydrophobicContact CB-CG2 4.47Å; L149-V330 HydrophobicContact CD2-CG2 4.38Å; L149-V330 WeakPolarHBondContact O-CA 3.4Å; L149-V331 PolarHBondContact O-N 3.47Å; L149-F340 HydrophobicContact CD2-CE1 4.28Å; L149-F340 HydrophobicContact CD2-CZ 4.38Å; L149-L344 HydrophobicContact CD2-CD1 4.1Å; L149-L344 HydrophobicContact CD2-CD2 3.39Å; L149-L344 HydrophobicContact CD2-CG 4.39Å
150D98Very high96.9Very high32 Ų3224.2 Ų24.217%0.17114%0.144CC..EExtended strand (participates in β ladder)trans-101.3109.4175.9-178.35.1000110.2V148 G152 T156 S157 V331 G332V148-D150 HydrophobicContact CG1-CB 4.48Å; D150-G152 PolarHBondContact O-N 3.39Å; D150-T156 CarbonylContact O-C 3.35Å; D150-T156 WeakPolarHBondContact O-CA 3.31Å; D150-T156 WeakPolarHBondContact O-CG2 3.38Å; D150-S157 PolarHBondContact N-O 2.9Å; D150-S157 PolarHBondContact O-N 3.31Å; D150-V331 WeakPolarHBondContact CA-O 3.47Å; D150-V331 HydrophobicContact CB-CG2 3.87Å; D150-G332 VanDerWaalsContact OD1-CA 3.24Å; D150-G332 WeakPolarHBondContact OD1-CA 3.48Å
151C97.7Very high97.1Very high0 Ų022.9 Ų22.90%013%0.133CC..EExtended strand (participates in β ladder)trans-95.779177.2-161.90000110.1T156 V331 G332 G333 N334 F340C151-T156 HydrophobicContact CB-CG2 4.1Å; C151-T156 PolarHBondContact SG-OG1 3.05Å; C151-V331 PolarHBondContact N-O 2.87Å; C151-G332 CarbonylContact O-C 3.33Å; C151-G332 VanDerWaalsContact O-C 3.31Å; C151-G332 WeakPolarHBondContact O-CA 3.42Å; C151-G333 PolarHBondContact O-N 2.54Å; C151-N334 HydrophobicContact CB-CB 4.22Å; C151-N334 PolarHBondContact O-N 2.93Å; C151-N334 WeakPolarHBondContact SG-CB 3.38Å; C151-F340 HydrophobicContact CB-CZ 4.18Å
152G96.3Very high97.2Very high14 Ų1425 Ų2514%0.14414%0.138CC..  trans-83.9-165.2-175.300000113.9D150 H155 A177 G178 N334D150-G152 PolarHBondContact O-N 3.39Å; G152-H155 WeakPolarHBondContact CA-O 3.21Å; G152-H155 PolarHBondContact N-O 3.44Å; G152-H155 VanDerWaalsContact N-O 3.1Å; G152-A177 WeakPolarHBondContact O-CB 3.12Å; G152-G178 PolarHBondContact O-N 2.97Å; G152-G178 VanDerWaalsContact O-N 3.11Å; G152-N334 PolarHBondContact O-ND2 3.31Å
153A96.1Very high97.2Very high16 Ų1627 Ų2713%0.13213%0.132CC..SBendtrans-74.8-50.4-179.700000113.2A177 G178 D179A153-A177 WeakPolarHBondContact O-CB 3.5Å; A153-G178 CarbonylContact O-C 3.57Å; A153-G178 WeakPolarHBondContact O-CA 3.25Å; A153-G178 PolarHBondContact O-N 3.11Å; A153-D179 PolarHBondContact O-N 3.26Å
154I94.9Very high97.1Very high51 Ų5124.2 Ų24.226%0.26213%0.134SC..SBendtrans-99.1-21.8-172.757.2156.4000113.8S14S14-I154 VanDerWaalsContact OG-CD1 3.26Å; S14-I154 WeakPolarHBondContact OG-CD1 3.31Å; S14-I154 WeakPolarHBondContact OG-CG1 3.45Å
155H94.3Very high97.1Very high22 Ų2223.9 Ų23.910%0.10214%0.135CC..  trans-147.1154178.551.3-103.3000110W106 G152 S174 A177W106-H155 AromaticContact CH2-CD2 3.58Å; W106-H155 AromaticContact CH2-CE1 3.8Å; W106-H155 AromaticContact CH2-NE2 3.31Å; W106-H155 VanDerWaalsContact CH2-NE2 3.31Å; W106-H155 WeakPolarHBondContact CH2-NE2 3.33Å; W106-H155 AromaticContact CZ2-CD2 3.85Å; W106-H155 AromaticContact CZ2-CE1 3.31Å; W106-H155 WeakPolarHBondContact CZ2-CE1 3.37Å; W106-H155 AromaticContact CZ2-ND1 3.73Å; W106-H155 AromaticContact CZ2-NE2 3.33Å; W106-H155 VanDerWaalsContact CZ2-NE2 3.33Å; W106-H155 WeakPolarHBondContact CZ2-NE2 3.31Å; G152-H155 WeakPolarHBondContact CA-O 3.21Å; G152-H155 PolarHBondContact N-O 3.44Å; G152-H155 VanDerWaalsContact N-O 3.1Å; H155-S174 CarbonylContact C-O 3.55Å; H155-S174 VanDerWaalsContact CA-O 3.31Å; H155-S174 WeakPolarHBondContact CA-O 3.47Å; H155-A177 VanDerWaalsContact C-CB 3.42Å
156T97.4Very high97.1Very high0 Ų024 Ų240%014%0.136CC..EExtended strand (participates in β ladder)trans-102134.6157.7-58.70000108.5L149 D150 C151 R173 S174 L176 M305 I308L149-T156 HydrophobicContact CD1-CG2 3.53Å; L149-T156 HydrophobicContact CG-CG2 4.31Å; D150-T156 CarbonylContact O-C 3.35Å; D150-T156 WeakPolarHBondContact O-CA 3.31Å; D150-T156 WeakPolarHBondContact O-CG2 3.38Å; C151-T156 HydrophobicContact CB-CG2 4.1Å; C151-T156 PolarHBondContact SG-OG1 3.05Å; T156-R173 CarbonylContact O-C 3.5Å; T156-R173 VanDerWaalsContact O-CA 3.32Å; T156-R173 WeakPolarHBondContact O-CA 3.5Å; T156-S174 PolarHBondContact N-O 3.32Å; T156-S174 PolarHBondContact O-N 2.8Å; T156-L176 PolarHBondContact OG1-O 3.06Å; T156-M305 HydrophobicContact CG2-CE 4.28Å; T156-M305 HydrophobicContact CG2-SD 3.6Å; T156-M305 VanDerWaalsContact CG2-SD 3.6Å; T156-I308 HydrophobicContact CG2-CD1 3.5Å; T156-I308 VanDerWaalsContact CG2-CD1 3.5Å
157S97.7Very high97Very high6 Ų626 Ų264%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-126.3138.1178.566.40000112L149 D150 I172L149-S157 CarbonylContact C-O 3.58Å; L149-S157 WeakPolarHBondContact CA-O 3.22Å; D150-S157 PolarHBondContact N-O 2.9Å; D150-S157 PolarHBondContact O-N 3.31Å; S157-I172 CarbonylContact C-O 3.58Å; S157-I172 WeakPolarHBondContact CA-O 3.44Å
158A98.5Very high96.8Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-107113.7168.700000107.7L147 V148 L149 I172 I308 V309L147-A158 HydrophobicContact CD1-CB 4.36Å; L147-A158 HydrophobicContact CD2-CB 4.14Å; V148-A158 CarbonylContact O-C 3.59Å; V148-A158 WeakPolarHBondContact O-CA 3.29Å; L149-A158 HydrophobicContact CD1-CB 4.47Å; A158-I172 PolarHBondContact N-O 3.31Å; A158-I172 PolarHBondContact O-N 3.25Å; A158-I172 VanDerWaalsContact O-N 3.09Å; A158-I308 HydrophobicContact CB-CB 4.25Å; A158-I308 HydrophobicContact CB-CG1 4.25Å; A158-V309 HydrophobicContact CB-CG2 4.41Å
159V98.5Very high96.7Very high3 Ų337.2 Ų37.22%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-125.1113.5-173.7-178.40000109.5A134 V148 V166 V171A134-V159 HydrophobicContact CB-CB 3.58Å; A134-V159 HydrophobicContact CB-CG1 3.27Å; A134-V159 HydrophobicContact CB-CG2 4.26Å; V148-V159 PolarHBondContact N-O 3.09Å; V148-V159 PolarHBondContact O-N 3.41Å; V159-V166 HydrophobicContact CG1-CG1 3.41Å; V159-V166 VanDerWaalsContact CG1-CG1 3.41Å; V159-V171 HydrophobicContact CB-CG2 4.46Å; V159-V171 HydrophobicContact CG1-CG2 4.03Å; V159-V171 HydrophobicContact CG2-CG1 4.01Å; V159-V171 HydrophobicContact CG2-CG2 4.16Å
160P98.6Very high96.6Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-79.8135.5175.921.3-12.3000110.8L167 E170 S312 L324P160-L167 HydrophobicContact CB-CD1 4.22Å; P160-L167 HydrophobicContact CG-CB 4.13Å; P160-L167 HydrophobicContact CG-CD1 4.45Å; P160-L167 PolarHBondContact O-N 2.72Å; P160-E170 HydrophobicContact CG-CB 3.65Å; P160-S312 WeakPolarHBondContact CD-OG 3.43Å; P160-S312 WeakPolarHBondContact CG-OG 3.26Å; P160-L324 HydrophobicContact CB-CD1 3.96Å; P160-L324 HydrophobicContact CB-CD2 4.06Å
161V98.3Very high96.6Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-122129.9175.6-172.80000107.6A134 C138 T145 G146 V148 L165 V166A134-V161 HydrophobicContact CB-CG2 3.85Å; C138-V161 HydrophobicContact CB-CG1 4.34Å; T145-V161 CarbonylContact C-O 3.24Å; T145-V161 VanDerWaalsContact CA-O 3.28Å; T145-V161 WeakPolarHBondContact CA-O 3.45Å; G146-V161 PolarHBondContact N-O 2.88Å; G146-V161 PolarHBondContact O-N 2.97Å; G146-V161 VanDerWaalsContact O-O 3.05Å; V148-V161 HydrophobicContact CG2-CG2 4.43Å; V161-L165 CarbonylContact C-O 3.55Å; V161-L165 VanDerWaalsContact CA-O 3.3Å; V161-L165 WeakPolarHBondContact CA-O 3.42Å; V161-V166 HydrophobicContact CG2-CG2 4.25Å
162Y97.6Very high96.6Very high87 Ų8740.2 Ų40.234%0.34122%0.219SC..EExtended strand (participates in β ladder)trans-135.8123.7179.9-174.5-97.9000109.7T145 G164 L165 I320T145-Y162 HydrophobicContact CG2-CD2 3.6Å; T145-Y162 HydrophobicContact CG2-CE2 4.18Å; Y162-G164 PolarHBondContact O-N 2.73Å; Y162-L165 PolarHBondContact N-O 3.46Å; Y162-L165 WeakPolarHBondContact O-CB 3.42Å; Y162-L165 PolarHBondContact O-N 3.24Å; Y162-I320 HydrophobicContact CD1-CG2 4.37Å; Y162-I320 HydrophobicContact CD2-CB 3.75Å; Y162-I320 HydrophobicContact CD2-CD1 4.23Å; Y162-I320 HydrophobicContact CD2-CG2 3.66Å; Y162-I320 HydrophobicContact CE1-CG2 4.06Å; Y162-I320 HydrophobicContact CE2-CB 3.72Å; Y162-I320 HydrophobicContact CE2-CG2 3.29Å; Y162-I320 HydrophobicContact CG-CB 4.49Å; Y162-I320 HydrophobicContact CG-CD1 4.25Å; Y162-I320 HydrophobicContact CG-CG2 4.19Å
163D95.4Very high96.6Very high108 Ų10844.2 Ų44.258%0.57823%0.23SC*.THydrogen-bonded Turntrans50.937.5-175.3-94.2-2.4000113.6H144 T145 L165H144-D163 IonicContact CD2-OD1 3.73Å; H144-D163 PolarHBondContact CD2-OD1 3Å; H144-D163 IonicContact NE2-OD1 3.9Å; H144-D163 PolarHBondContact O-N 3.08Å; T145-D163 PolarHBondContact OG1-N 2.91Å; D163-L165 PolarHBondContact O-N 3.09Å
164G93.3Very high96.5Very high38 Ų3843.6 Ų43.639%0.39223%0.225SC..THydrogen-bonded Turntrans80.1-6.7-178.900000114.6H144 Y162H144-G164 PolarHBondContact O-N 3.5Å; Y162-G164 PolarHBondContact O-N 2.73Å
165L94.8Very high96.5Very high109 Ų10945 Ų4557%0.57124%0.237SC*.EExtended strand (participates in β ladder)trans-92.9133.6178.6-59.3177000110.8V161 Y162 D163V161-L165 CarbonylContact C-O 3.55Å; V161-L165 VanDerWaalsContact CA-O 3.3Å; V161-L165 WeakPolarHBondContact CA-O 3.42Å; Y162-L165 PolarHBondContact N-O 3.46Å; Y162-L165 WeakPolarHBondContact O-CB 3.42Å; Y162-L165 PolarHBondContact O-N 3.24Å; D163-L165 PolarHBondContact O-N 3.09Å
166V97Very high96.5Very high15 Ų1544 Ų449%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-81.1124.7172.8177.80000109.6K132 A134 A135 V159 V161 T168K132-V166 HydrophobicContact CB-CG2 3.75Å; K132-V166 HydrophobicContact CD-CB 3.55Å; K132-V166 HydrophobicContact CD-CG1 3.93Å; K132-V166 HydrophobicContact CD-CG2 3.62Å; K132-V166 HydrophobicContact CG-CG2 4.33Å; A134-V166 HydrophobicContact CB-CG2 4.35Å; A135-V166 HydrophobicContact CB-CG2 3.86Å; V159-V166 HydrophobicContact CG1-CG1 3.41Å; V159-V166 VanDerWaalsContact CG1-CG1 3.41Å; V161-V166 HydrophobicContact CG2-CG2 4.25Å; V166-T168 HydrophobicContact CG1-CG2 4.07Å; V166-T168 PolarHBondContact O-N 2.84Å
167L97.2Very high96.3Very high41 Ų4144 Ų4422%0.21523%0.232CC..  trans-83.994.5174.1-45.7178.8000108.4P160 Q169 E170 I320P160-L167 HydrophobicContact CB-CD1 4.22Å; P160-L167 HydrophobicContact CG-CB 4.13Å; P160-L167 HydrophobicContact CG-CD1 4.45Å; P160-L167 PolarHBondContact O-N 2.72Å; L167-Q169 VanDerWaalsContact C-N 3.35Å; L167-Q169 PolarHBondContact O-N 3.03Å; L167-E170 HydrophobicContact CB-CB 4.5Å; L167-E170 WeakPolarHBondContact CB-OE2 3.33Å; L167-I320 HydrophobicContact CD1-CD1 3.44Å; L167-I320 VanDerWaalsContact CD1-CD1 3.44Å
168T94.6Very high96.3Very high70 Ų7043.9 Ų43.943%0.42923%0.232SC..G310 helixtrans-75-21.4-168.451.70000113.8K132 V166 E170K132-T168 HydrophobicContact CD-CG2 4.35Å; V166-T168 HydrophobicContact CG1-CG2 4.07Å; V166-T168 PolarHBondContact O-N 2.84Å; T168-E170 VanDerWaalsContact C-N 3.32Å
169Q95.6Very high96.1Very high169 Ų16946.3 Ų46.379%0.7925%0.246SC*.G310 helixtrans-78.2-21.7179.6-64.4-174.8-25.700112L167L167-Q169 VanDerWaalsContact C-N 3.35Å; L167-Q169 PolarHBondContact O-N 3.03Å
170E97.6Very high95.9Very high35 Ų3547.1 Ų47.116%0.16425%0.249CC..G310 helixtrans-1019.8-175.2-61.370.6-156.700112.3P160 L167 T168 I172 S312 L315P160-E170 HydrophobicContact CG-CB 3.65Å; L167-E170 HydrophobicContact CB-CB 4.5Å; L167-E170 WeakPolarHBondContact CB-OE2 3.33Å; T168-E170 VanDerWaalsContact C-N 3.32Å; E170-I172 PolarHBondContact O-N 3.16Å; E170-S312 WeakPolarHBondContact O-CB 3.46Å; E170-S312 PolarHBondContact O-OG 3.05Å; E170-L315 HydrophobicContact CB-CB 4.09Å; E170-L315 HydrophobicContact CG-CB 3.75Å
171V97.7Very high95.8Very high27 Ų2747.1 Ų47.116%0.16425%0.249CC..  trans-73.3123.8176.4175.50000110.1W106 V159 R173W106-V171 HydrophobicContact CE3-CG1 4.18Å; W106-V171 HydrophobicContact CZ3-CG1 4.44Å; V159-V171 HydrophobicContact CB-CG2 4.46Å; V159-V171 HydrophobicContact CG1-CG2 4.03Å; V159-V171 HydrophobicContact CG2-CG1 4.01Å; V159-V171 HydrophobicContact CG2-CG2 4.16Å; V171-R173 HydrophobicContact CG1-CG 4.14Å
172I97.6Very high95.7Very high34 Ų3447.5 Ų47.517%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-112.9134.8173.4-57.7-61.8000109.3S157 A158 E170 L303 I308 L315S157-I172 CarbonylContact C-O 3.58Å; S157-I172 WeakPolarHBondContact CA-O 3.44Å; A158-I172 PolarHBondContact N-O 3.31Å; A158-I172 PolarHBondContact O-N 3.25Å; A158-I172 VanDerWaalsContact O-N 3.09Å; E170-I172 PolarHBondContact O-N 3.16Å; I172-L303 HydrophobicContact CG2-CD1 4.07Å; I172-I308 HydrophobicContact CB-CB 4.37Å; I172-I308 HydrophobicContact CG2-CB 3.78Å; I172-I308 HydrophobicContact CG2-CG2 3.65Å; I172-L315 HydrophobicContact CD1-CD1 3.78Å; I172-L315 HydrophobicContact CG1-CD1 4.38Å
173R95.6Very high95.5Very high97 Ų9749 Ų4937%0.36626%0.261SS..EExtended strand (participates in β ladder)trans-122147.5177.9-57.1-172.2-66159.70.2110.8D69 W106 T156 V171D69-R173 IonicContact OD1-CZ 3.15Å; D69-R173 IonicContact OD1-NH1 3.02Å; D69-R173 PolarHBondContact OD1-NH1 2.94Å; D69-R173 IonicContact OD2-CZ 3.06Å; D69-R173 IonicContact OD2-NH1 3.28Å; D69-R173 PolarHBondContact OD2-NH1 3.18Å; D69-R173 IonicContact OD2-NH2 2.65Å; D69-R173 PolarHBondContact OD2-NH2 3.01Å; W106-R173 VanDerWaalsContact CD1-NH1 3.27Å; W106-R173 VanDerWaalsContact CE3-CD 3.48Å; W106-R173 HydrophobicContact CE3-CG 4.31Å; W106-R173 HydrophobicContact CZ3-CG 4.15Å; T156-R173 CarbonylContact O-C 3.5Å; T156-R173 VanDerWaalsContact O-CA 3.32Å; T156-R173 WeakPolarHBondContact O-CA 3.5Å; V171-R173 HydrophobicContact CG1-CG 4.14Å
174S94.9Very high95.5Very high4 Ų444.7 Ų44.73%0.02824%0.238CC..EExtended strand (participates in β ladder)trans-130.2139.4173.9-174.60000110H155 T156 L176 L303H155-S174 CarbonylContact C-O 3.55Å; H155-S174 VanDerWaalsContact CA-O 3.31Å; H155-S174 WeakPolarHBondContact CA-O 3.47Å; T156-S174 PolarHBondContact N-O 3.32Å; T156-S174 PolarHBondContact O-N 2.8Å; S174-L176 PolarHBondContact O-N 3.06Å; S174-L176 WeakPolarHBondContact OG-CB 3.24Å; S174-L176 PolarHBondContact OG-N 3.22Å; S174-L303 PolarHBondContact OG-O 2.88Å
175P93.3Very high95.6Very high80 Ų8042.9 Ų42.952%0.51922%0.219SC..SBendtrans-70.4-10.2171.4-7.922000113.1A177 M302P175-A177 VanDerWaalsContact C-N 3.33Å; P175-A177 PolarHBondContact O-N 2.98Å; P175-M302 HydrophobicContact CB-CE 3.66Å; P175-M302 HydrophobicContact CG-CE 3.54Å
176L94.2Very high95.6Very high0 Ų041.2 Ų41.20%021%0.208CC..  trans-70.490.2177.1-62.9177000109.3T156 S174 F180 L288 P291 L294 M302 M305T156-L176 PolarHBondContact OG1-O 3.06Å; S174-L176 PolarHBondContact O-N 3.06Å; S174-L176 WeakPolarHBondContact OG-CB 3.24Å; S174-L176 PolarHBondContact OG-N 3.22Å; L176-F180 HydrophobicContact CD2-CD1 3.76Å; L176-F180 HydrophobicContact CD2-CD2 4.11Å; L176-F180 HydrophobicContact CD2-CE1 3.65Å; L176-F180 HydrophobicContact CD2-CE2 4Å; L176-F180 HydrophobicContact CD2-CG 4Å; L176-F180 HydrophobicContact CD2-CZ 3.78Å; L176-L288 HydrophobicContact CB-CD2 3.86Å; L176-P291 HydrophobicContact CD1-CB 3.97Å; L176-P291 HydrophobicContact CD1-CG 3.51Å; L176-L294 HydrophobicContact CD2-CD1 3.94Å; L176-M302 HydrophobicContact CD1-CB 4.04Å; L176-M302 HydrophobicContact CD2-CE 3.56Å; L176-M302 HydrophobicContact CD2-SD 3.73Å; L176-M302 HydrophobicContact CG-CB 4.4Å; L176-M302 HydrophobicContact CG-CE 3.74Å; L176-M302 HydrophobicContact CG-SD 4.13Å; L176-M305 HydrophobicContact CB-CE 3.81Å
177A95.1Very high95.4Very high0 Ų045.1 Ų45.10%022%0.221CC..SBendtrans-149.8-167.5-170.700000110.3G152 A153 H155 P175 D179 F180 I181G152-A177 WeakPolarHBondContact O-CB 3.12Å; A153-A177 WeakPolarHBondContact O-CB 3.5Å; H155-A177 VanDerWaalsContact C-CB 3.42Å; P175-A177 VanDerWaalsContact C-N 3.33Å; P175-A177 PolarHBondContact O-N 2.98Å; A177-D179 PolarHBondContact O-N 2.8Å; A177-F180 WeakPolarHBondContact O-CB 3.16Å; A177-F180 PolarHBondContact O-N 3.11Å; A177-I181 WeakPolarHBondContact O-CG1 3.47Å; A177-I181 PolarHBondContact O-N 3.02Å
178G95.9Very high95.3Very high4 Ų443.4 Ų43.44%0.04121%0.213CC..Hα-helixtrans-57.8-44-175.200000115.4G152 A153 F180 I181 V182 N334G152-G178 PolarHBondContact O-N 2.97Å; G152-G178 VanDerWaalsContact O-N 3.11Å; A153-G178 CarbonylContact O-C 3.57Å; A153-G178 WeakPolarHBondContact O-CA 3.25Å; A153-G178 PolarHBondContact O-N 3.11Å; G178-F180 VanDerWaalsContact C-N 3.29Å; G178-F180 PolarHBondContact O-N 2.9Å; G178-I181 PolarHBondContact O-N 3.5Å; G178-V182 WeakPolarHBondContact O-CB 3.41Å; G178-V182 VanDerWaalsContact O-CG2 3.23Å; G178-V182 WeakPolarHBondContact O-CG2 3.46Å; G178-V182 PolarHBondContact O-N 2.95Å; G178-N334 VanDerWaalsContact CA-CG 3.46Å; G178-N334 WeakPolarHBondContact CA-ND2 3.42Å; G178-N334 VanDerWaalsContact CA-OD1 3.32Å; G178-N334 WeakPolarHBondContact CA-OD1 3.35Å; G178-N334 PolarHBondContact N-ND2 3.13Å
179D95.2Very high95.3Very high52 Ų5240.1 Ų40.128%0.27819%0.192SC..Hα-helixtrans-65.3-37-179-80.411.7000111.3A153 A177 Q183 K236A153-D179 PolarHBondContact O-N 3.26Å; A177-D179 PolarHBondContact O-N 2.8Å; D179-Q183 WeakPolarHBondContact O-CB 3.33Å; D179-Q183 PolarHBondContact O-N 3.44Å; D179-K236 WeakPolarHBondContact OD1-CE 3.34Å; D179-K236 IonicContact OD1-NZ 3.78Å; D179-K236 PolarHBondContact OD1-NZ 2.72Å; D179-K236 IonicContact OD2-NZ 3.87Å; D179-K236 PolarHBondContact OD2-NZ 3.04Å
180F94.7Very high95.2Very high19 Ų1935.3 Ų35.38%0.08317%0.171CC..Hα-helixtrans-64.4-47.2172.1167.7-93.4000111.3L176 A177 G178 V182 Q183 Q184 A287 L294L176-F180 HydrophobicContact CD2-CD1 3.76Å; L176-F180 HydrophobicContact CD2-CD2 4.11Å; L176-F180 HydrophobicContact CD2-CE1 3.65Å; L176-F180 HydrophobicContact CD2-CE2 4Å; L176-F180 HydrophobicContact CD2-CG 4Å; L176-F180 HydrophobicContact CD2-CZ 3.78Å; A177-F180 WeakPolarHBondContact O-CB 3.16Å; A177-F180 PolarHBondContact O-N 3.11Å; G178-F180 VanDerWaalsContact C-N 3.29Å; G178-F180 PolarHBondContact O-N 2.9Å; F180-V182 VanDerWaalsContact C-N 3.32Å; F180-V182 PolarHBondContact O-N 3.46Å; F180-Q183 WeakPolarHBondContact O-CB 3.21Å; F180-Q183 PolarHBondContact O-N 3.32Å; F180-Q183 VanDerWaalsContact O-N 3.16Å; F180-Q184 HydrophobicContact CD1-CG 4.41Å; F180-Q184 HydrophobicContact CD2-CG 4.44Å; F180-Q184 HydrophobicContact CE1-CG 3.82Å; F180-Q184 HydrophobicContact CE2-CG 3.88Å; F180-Q184 HydrophobicContact CZ-CG 3.51Å; F180-Q184 WeakPolarHBondContact O-CG 3.43Å; F180-Q184 PolarHBondContact O-N 3.43Å; F180-A287 HydrophobicContact CE1-CB 3.65Å; F180-A287 HydrophobicContact CZ-CB 3.8Å; F180-L294 HydrophobicContact CE1-CD1 4.42Å; F180-L294 HydrophobicContact CE2-CD1 3.72Å; F180-L294 HydrophobicContact CE2-CD2 4.22Å; F180-L294 HydrophobicContact CZ-CD1 3.41Å; F180-L294 VanDerWaalsContact CZ-CD1 3.41Å; F180-L294 HydrophobicContact CZ-CD2 3.69Å; F180-L294 HydrophobicContact CZ-CG 4.17Å
181I95.9Very high95Very high0 Ų038.9 Ų38.90%019%0.192CC..Hα-helixtrans-60.1-43.1177.9-69.8-66.8000111.4A177 G178 Q183 Q184 A185 V243 L247 I284 L288A177-I181 WeakPolarHBondContact O-CG1 3.47Å; A177-I181 PolarHBondContact O-N 3.02Å; G178-I181 PolarHBondContact O-N 3.5Å; I181-Q183 VanDerWaalsContact C-N 3.34Å; I181-Q183 PolarHBondContact O-N 3.17Å; I181-Q184 PolarHBondContact O-N 2.91Å; I181-A185 WeakPolarHBondContact O-CB 3.33Å; I181-A185 PolarHBondContact O-N 3.33Å; I181-V243 HydrophobicContact CG2-CB 4.46Å; I181-V243 HydrophobicContact CG2-CG1 3.61Å; I181-V243 HydrophobicContact CG2-CG2 3.97Å; I181-L247 HydrophobicContact CG2-CD1 3.52Å; I181-I284 HydrophobicContact CD1-CG2 3.9Å; I181-I284 HydrophobicContact CG2-CG2 3.92Å; I181-L288 HydrophobicContact CD1-CD1 4.02Å; I181-L288 HydrophobicContact CD1-CD2 3.91Å; I181-L288 HydrophobicContact CD1-CG 3.86Å; I181-L288 HydrophobicContact CG1-CD1 4.3Å; I181-L288 HydrophobicContact CG1-CD2 4.09Å; I181-L288 HydrophobicContact CG1-CG 4.42Å
182V96.2Very high94.7Very high8 Ų842.8 Ų42.85%0.04821%0.208CC..Hα-helixtrans-62.8-41.4176.2169.20000111.2G178 F180 A185 Q186 K236 I239 Q240G178-V182 WeakPolarHBondContact O-CB 3.41Å; G178-V182 VanDerWaalsContact O-CG2 3.23Å; G178-V182 WeakPolarHBondContact O-CG2 3.46Å; G178-V182 PolarHBondContact O-N 2.95Å; F180-V182 VanDerWaalsContact C-N 3.32Å; F180-V182 PolarHBondContact O-N 3.46Å; V182-A185 PolarHBondContact O-N 3.31Å; V182-Q186 WeakPolarHBondContact O-CB 3.47Å; V182-Q186 PolarHBondContact O-N 2.85Å; V182-K236 HydrophobicContact CG1-CG 4Å; V182-I239 HydrophobicContact CB-CG2 4.43Å; V182-I239 HydrophobicContact CG1-CB 3.97Å; V182-I239 HydrophobicContact CG1-CG2 3.81Å; V182-Q240 HydrophobicContact CG2-CB 4.46Å; V182-Q240 HydrophobicContact CG2-CG 3.44Å; V182-Q240 VanDerWaalsContact CG2-CG 3.44Å
183Q94.5Very high94.5Very high119 Ų11943.6 Ų43.656%0.55621%0.213SC*.Hα-helixtrans-62.7-43.1175.7-172.8-177.529.600112D179 F180 I181 Q186 R187D179-Q183 WeakPolarHBondContact O-CB 3.33Å; D179-Q183 PolarHBondContact O-N 3.44Å; F180-Q183 WeakPolarHBondContact O-CB 3.21Å; F180-Q183 PolarHBondContact O-N 3.32Å; F180-Q183 VanDerWaalsContact O-N 3.16Å; I181-Q183 VanDerWaalsContact C-N 3.34Å; I181-Q183 PolarHBondContact O-N 3.17Å; Q183-Q186 PolarHBondContact O-N 2.81Å; Q183-R187 PolarHBondContact O-N 2.78Å
184Q93.7Very high94.4Very high18 Ų1847.3 Ų47.38%0.08423%0.231CC..Hα-helixtrans-66-40.6176.6-63.5-50.7-6800111.8F180 I181 R187 L188 I284F180-Q184 HydrophobicContact CD1-CG 4.41Å; F180-Q184 HydrophobicContact CD2-CG 4.44Å; F180-Q184 HydrophobicContact CE1-CG 3.82Å; F180-Q184 HydrophobicContact CE2-CG 3.88Å; F180-Q184 HydrophobicContact CZ-CG 3.51Å; F180-Q184 WeakPolarHBondContact O-CG 3.43Å; F180-Q184 PolarHBondContact O-N 3.43Å; I181-Q184 PolarHBondContact O-N 2.91Å; Q184-R187 WeakPolarHBondContact O-CB 3.34Å; Q184-R187 PolarHBondContact O-N 3.12Å; Q184-L188 PolarHBondContact O-N 2.7Å; Q184-I284 HydrophobicContact CB-CG1 4.39Å; Q184-I284 HydrophobicContact CB-CG2 3.92Å
185A95.7Very high94.3Very high0 Ų047.8 Ų47.80%023%0.234CC..Hα-helixtrans-64.2-40.2175.300000112.2I181 V182 R187 L188 I189 I239 F242 V243 I284I181-A185 WeakPolarHBondContact O-CB 3.33Å; I181-A185 PolarHBondContact O-N 3.33Å; V182-A185 PolarHBondContact O-N 3.31Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 3.13Å; A185-L188 PolarHBondContact O-N 2.9Å; A185-I189 VanDerWaalsContact O-CG1 3.3Å; A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 3.48Å; A185-I239 HydrophobicContact CB-CG2 3.66Å; A185-F242 HydrophobicContact CB-CD1 4.2Å; A185-F242 HydrophobicContact CB-CE1 4.17Å; A185-V243 HydrophobicContact CB-CG2 3.53Å; A185-I284 HydrophobicContact CB-CD1 3.93Å
186Q95.3Very high94.3Very high73 Ų7350.6 Ų50.634%0.34124%0.24SC..Hα-helixtrans-61.6-42.7174.3-176.7175.4-4.800111.3V182 Q183 I189 L190 I239V182-Q186 WeakPolarHBondContact O-CB 3.47Å; V182-Q186 PolarHBondContact O-N 2.85Å; Q183-Q186 PolarHBondContact O-N 2.81Å; Q186-I189 PolarHBondContact O-N 2.88Å; Q186-L190 HydrophobicContact CG-CD1 3.6Å; Q186-L190 HydrophobicContact CG-CG 4.14Å; Q186-L190 WeakPolarHBondContact O-CB 3.42Å; Q186-L190 WeakPolarHBondContact O-CG 3.39Å; Q186-L190 PolarHBondContact O-N 3.19Å; Q186-I239 HydrophobicContact CB-CG1 4.43Å
187R93.5Very high94.2Very high97 Ų9751.3 Ų51.337%0.36624%0.244SC..Hα-helixtrans-59.7-48.3174.7-168.6-176.867.1-157.5-11.6111.6Q183 Q184 A185 I189 D191 E192Q183-R187 PolarHBondContact O-N 2.78Å; Q184-R187 WeakPolarHBondContact O-CB 3.34Å; Q184-R187 PolarHBondContact O-N 3.12Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 3.13Å; R187-I189 VanDerWaalsContact C-N 3.34Å; R187-I189 PolarHBondContact O-N 3.27Å; R187-D191 HydrophobicContact CG-CB 4.3Å; R187-D191 VanDerWaalsContact CG-OD2 3.29Å; R187-D191 WeakPolarHBondContact CG-OD2 3.41Å; R187-D191 VanDerWaalsContact O-CB 3.29Å; R187-D191 WeakPolarHBondContact O-CB 3.5Å; R187-D191 PolarHBondContact O-N 3.06Å; R187-E192 IonicContact NE-OE1 3.17Å
188L93.7Very high94.2Very high6 Ų651.3 Ų51.33%0.03124%0.244CC..Iπ-helixtrans-55.5-49.7176.6173.468.2000111.1Q184 A185 E192 L193 L277 E280 I284Q184-L188 PolarHBondContact O-N 2.7Å; A185-L188 PolarHBondContact O-N 2.9Å; L188-E192 HydrophobicContact CD1-CB 4.12Å; L188-E192 WeakPolarHBondContact CD1-OE2 3.29Å; L188-E192 WeakPolarHBondContact O-CB 3.33Å; L188-E192 PolarHBondContact O-N 3.25Å; L188-L193 HydrophobicContact CD1-CD1 4.32Å; L188-L193 HydrophobicContact CD1-CG 4.15Å; L188-L193 HydrophobicContact CD2-CD1 4.47Å; L188-L193 HydrophobicContact CG-CD1 4Å; L188-L193 HydrophobicContact CG-CG 4.26Å; L188-L193 WeakPolarHBondContact O-CB 3.27Å; L188-L193 WeakPolarHBondContact O-CG 3.49Å; L188-L193 PolarHBondContact O-N 3.04Å; L188-L277 HydrophobicContact CD2-CD2 4.41Å; L188-E280 HydrophobicContact CD1-CB 4.1Å; L188-E280 HydrophobicContact CD1-CG 4.27Å; L188-E280 HydrophobicContact CD2-CB 3.94Å; L188-I284 HydrophobicContact CB-CD1 4.27Å; L188-I284 HydrophobicContact CD2-CD1 3.56Å; L188-I284 HydrophobicContact CD2-CG1 4.45Å
189I94.8Very high94.1Very high0 Ų051.1 Ų51.10%024%0.242CC..Iπ-helixtrans-67-47.2-175.4-69.5164.9000111.7A185 Q186 R187 K194 I195 V197 I239 F242 F269A185-I189 VanDerWaalsContact O-CG1 3.3Å; A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 3.48Å; Q186-I189 PolarHBondContact O-N 2.88Å; R187-I189 VanDerWaalsContact C-N 3.34Å; R187-I189 PolarHBondContact O-N 3.27Å; I189-K194 PolarHBondContact O-N 3.35Å; I189-K194 VanDerWaalsContact O-N 3.1Å; I189-I195 HydrophobicContact CG2-CB 3.88Å; I189-I195 HydrophobicContact CG2-CG2 4.27Å; I189-I195 PolarHBondContact O-N 3.38Å; I189-V197 HydrophobicContact CG2-CG2 3.43Å; I189-V197 VanDerWaalsContact CG2-CG2 3.43Å; I189-I239 HydrophobicContact CD1-CD1 3.68Å; I189-F242 HydrophobicContact CD1-CD1 3.63Å; I189-F242 HydrophobicContact CD1-CD2 4.21Å; I189-F242 HydrophobicContact CD1-CE1 3.66Å; I189-F242 HydrophobicContact CD1-CE2 4.22Å; I189-F242 HydrophobicContact CD1-CG 3.9Å; I189-F242 HydrophobicContact CD1-CZ 3.94Å; I189-F242 HydrophobicContact CG1-CE1 4.22Å; I189-F242 HydrophobicContact CG1-CZ 4.18Å; I189-F269 HydrophobicContact CD1-CZ 4.11Å; I189-F269 HydrophobicContact CG2-CZ 4.07Å
190L93.9Very high94Very high68 Ų6853.4 Ų53.436%0.35625%0.248SC..Iπ-helixtrans-82.4-43.8-172.8-62.2-177.7000112.9Q186 K194 I195 V197Q186-L190 HydrophobicContact CG-CD1 3.6Å; Q186-L190 HydrophobicContact CG-CG 4.14Å; Q186-L190 WeakPolarHBondContact O-CB 3.42Å; Q186-L190 WeakPolarHBondContact O-CG 3.39Å; Q186-L190 PolarHBondContact O-N 3.19Å; L190-K194 WeakPolarHBondContact O-CA 3.44Å; L190-I195 WeakPolarHBondContact CD2-O 3.49Å; L190-V197 HydrophobicContact CD2-CG2 4.12Å
191D92.9Very high94Very high110 Ų11053 Ų5359%0.58825%0.246SC*.Iπ-helixtrans-94.5-42.7-168.1-59.2-22.1000111.6R187R187-D191 HydrophobicContact CG-CB 4.3Å; R187-D191 VanDerWaalsContact CG-OD2 3.29Å; R187-D191 WeakPolarHBondContact CG-OD2 3.41Å; R187-D191 VanDerWaalsContact O-CB 3.29Å; R187-D191 WeakPolarHBondContact O-CB 3.5Å; R187-D191 PolarHBondContact O-N 3.06Å
192E92.3Very high94Very high109 Ų10956 Ų5651%0.50926%0.257SS..Iπ-helixtrans-88.3-52.9-175.5-59.3179-144.600111.2R187 L188R187-E192 IonicContact NE-OE1 3.17Å; L188-E192 HydrophobicContact CD1-CB 4.12Å; L188-E192 WeakPolarHBondContact CD1-OE2 3.29Å; L188-E192 WeakPolarHBondContact O-CB 3.33Å; L188-E192 PolarHBondContact O-N 3.25Å
193L92.5Very high94Very high52 Ų5256.3 Ų56.327%0.27226%0.259SS..SBendtrans-83.4-17.2-179.4-60.5177.7000113.3L188 I195 F275L188-L193 HydrophobicContact CD1-CD1 4.32Å; L188-L193 HydrophobicContact CD1-CG 4.15Å; L188-L193 HydrophobicContact CD2-CD1 4.47Å; L188-L193 HydrophobicContact CG-CD1 4Å; L188-L193 HydrophobicContact CG-CG 4.26Å; L188-L193 WeakPolarHBondContact O-CB 3.27Å; L188-L193 WeakPolarHBondContact O-CG 3.49Å; L188-L193 PolarHBondContact O-N 3.04Å; L193-I195 VanDerWaalsContact C-N 3.27Å; L193-I195 HydrophobicContact CB-CD1 3.64Å; L193-I195 HydrophobicContact CB-CG1 3.91Å; L193-I195 HydrophobicContact CD1-CD1 3.92Å; L193-I195 HydrophobicContact CG-CD1 4.43Å; L193-I195 PolarHBondContact O-N 3.41Å; L193-F275 HydrophobicContact CD1-CD2 4.49Å; L193-F275 HydrophobicContact CD1-CE2 3.56Å; L193-F275 HydrophobicContact CD1-CZ 4.1Å
194K93.9Very high94.1Very high174 Ų17453 Ų5376%0.75725%0.252SS*.  trans56.138.8178.6-56.3-179.6-178.21770113.6I189 L190I189-K194 PolarHBondContact O-N 3.35Å; I189-K194 VanDerWaalsContact O-N 3.1Å; L190-K194 WeakPolarHBondContact O-CA 3.44Å
195I93.7Very high94.2Very high14 Ų1454.8 Ų54.87%0.07227%0.266CS..PPolyproline II helixtrans-93.9125.5179.6-61.2163.6000108.9I189 L190 L193 V197 F269 F273 F275I189-I195 HydrophobicContact CG2-CB 3.88Å; I189-I195 HydrophobicContact CG2-CG2 4.27Å; I189-I195 PolarHBondContact O-N 3.38Å; L190-I195 WeakPolarHBondContact CD2-O 3.49Å; L193-I195 VanDerWaalsContact C-N 3.27Å; L193-I195 HydrophobicContact CB-CD1 3.64Å; L193-I195 HydrophobicContact CB-CG1 3.91Å; L193-I195 HydrophobicContact CD1-CD1 3.92Å; L193-I195 HydrophobicContact CG-CD1 4.43Å; L193-I195 PolarHBondContact O-N 3.41Å; I195-V197 PolarHBondContact O-N 3.06Å; I195-F269 HydrophobicContact CG2-CD2 4.3Å; I195-F269 HydrophobicContact CG2-CE2 3.78Å; I195-F269 HydrophobicContact CG2-CZ 4.36Å; I195-F273 HydrophobicContact CB-CE1 4.33Å; I195-F273 HydrophobicContact CD1-CE1 3.71Å; I195-F273 HydrophobicContact CD1-CZ 4.44Å; I195-F273 HydrophobicContact CG1-CE1 3.67Å; I195-F273 HydrophobicContact CG1-CZ 4.11Å; I195-F273 HydrophobicContact CG2-CD1 3.68Å; I195-F273 HydrophobicContact CG2-CE1 3.69Å; I195-F275 HydrophobicContact CD1-CD1 4.14Å; I195-F275 HydrophobicContact CD1-CD2 4.15Å; I195-F275 HydrophobicContact CD1-CE1 3.89Å; I195-F275 HydrophobicContact CD1-CE2 3.83Å; I195-F275 HydrophobicContact CD1-CG 4.27Å; I195-F275 HydrophobicContact CD1-CZ 3.68Å
196E91.8Very high94.3Very high140 Ų14059.3 Ų59.365%0.65429%0.286SS*.PPolyproline II helixtrans-74120.2170-174.6-175.5175.200110.2V198E196-V198 HydrophobicContact CG-CG2 4.41Å
197V93.5Very high94.3Very high15 Ų1560.9 Ų60.99%0.09129%0.293CS..PPolyproline II helixtrans-90.9117.7176.5-175.50000109.5I189 L190 I195 L235 Q238 I239 F269I189-V197 HydrophobicContact CG2-CG2 3.43Å; I189-V197 VanDerWaalsContact CG2-CG2 3.43Å; L190-V197 HydrophobicContact CD2-CG2 4.12Å; I195-V197 PolarHBondContact O-N 3.06Å; V197-L235 HydrophobicContact CB-CD2 4.01Å; V197-L235 HydrophobicContact CG1-CD2 3.82Å; V197-L235 WeakPolarHBondContact O-CD2 3.26Å; V197-Q238 HydrophobicContact CG1-CB 4.3Å; V197-Q238 HydrophobicContact CG1-CG 3.94Å; V197-I239 HydrophobicContact CG1-CD1 4.22Å; V197-I239 HydrophobicContact CG2-CD1 4.07Å; V197-F269 HydrophobicContact CG1-CD1 4.19Å; V197-F269 HydrophobicContact CG1-CE1 3.99Å; V197-F269 HydrophobicContact CG2-CE1 3.96Å; V197-F269 HydrophobicContact CG2-CZ 4.19Å
198V94.2Very high94.4Very high0 Ų062.5 Ų62.50%032%0.316CS..  trans-104.5116.5176.7-179.50000109.3E196 R202 V203 W217 N271E196-V198 HydrophobicContact CG-CG2 4.41Å; V198-R202 HydrophobicContact CG1-CB 3.98Å; V198-V203 HydrophobicContact CG1-CG2 3.87Å; V198-W217 HydrophobicContact CB-CZ2 4.34Å; V198-W217 HydrophobicContact CG1-CE3 4.5Å; V198-W217 HydrophobicContact CG1-CH2 3.47Å; V198-W217 VanDerWaalsContact CG1-CH2 3.47Å; V198-W217 HydrophobicContact CG1-CZ2 3.71Å; V198-W217 HydrophobicContact CG1-CZ3 3.88Å; V198-W217 HydrophobicContact CG2-CH2 4.36Å; V198-W217 HydrophobicContact CG2-CZ2 3.77Å; V198-N271 HydrophobicContact CB-CB 4.14Å; V198-N271 HydrophobicContact CG2-CB 4.46Å
199P93.4Very high94.6Very high0 Ų062.9 Ų62.90%032%0.319CS..  trans-58.4143.7174.9-2735.5000113Y201 R202 M234 L235P199-Y201 HydrophobicContact CB-CD1 3.55Å; P199-Y201 HydrophobicContact CB-CE1 3.36Å; P199-Y201 HydrophobicContact CG-CE1 3.95Å; P199-Y201 PolarHBondContact O-N 3.17Å; P199-Y201 VanDerWaalsContact O-N 3.11Å; P199-R202 PolarHBondContact O-N 3.1Å; P199-M234 HydrophobicContact CB-CB 3.99Å; P199-M234 HydrophobicContact CG-CB 4.38Å; P199-L235 HydrophobicContact CG-CD2 3.63Å; P199-L235 HydrophobicContact CG-CG 3.85Å
200Y93.4Very high94.6Very high99 Ų9968.1 Ų68.139%0.38835%0.347SS..G310 helixtrans-58.9-30.2-174.878.8-95000114.1L55 R202 V203 M234L55-Y200 WeakPolarHBondContact CB-OH 3.2Å; Y200-R202 PolarHBondContact O-N 3.45Å; Y200-V203 PolarHBondContact O-N 2.93Å; Y200-M234 HydrophobicContact CD1-CE 3.96Å; Y200-M234 HydrophobicContact CE1-CE 3.12Å; Y200-M234 VanDerWaalsContact CZ-CE 3.45Å; Y200-M234 WeakPolarHBondContact OH-CE 3.41Å
201Y94.4Very high94.6Very high12 Ų1269 Ų695%0.04735%0.349CS..G310 helixtrans-66.9-20.5-179.975.2-91.9000112.6P57 P199 R220 L223 Y230 E231 M234P57-Y201 HydrophobicContact CB-CD2 4.38Å; P57-Y201 HydrophobicContact CG-CD2 4.39Å; P199-Y201 HydrophobicContact CB-CD1 3.55Å; P199-Y201 HydrophobicContact CB-CE1 3.36Å; P199-Y201 HydrophobicContact CG-CE1 3.95Å; P199-Y201 PolarHBondContact O-N 3.17Å; P199-Y201 VanDerWaalsContact O-N 3.11Å; Y201-R220 VanDerWaalsContact O-CD 3.24Å; Y201-R220 WeakPolarHBondContact O-CD 3.44Å; Y201-L223 HydrophobicContact CD2-CD1 4.12Å; Y201-L223 HydrophobicContact CD2-CD2 4.35Å; Y201-L223 HydrophobicContact CE2-CD1 4.36Å; Y201-Y230 AromaticContact CD1-CE1 3.98Å; Y201-Y230 HydrophobicContact CD1-CE1 3.98Å; Y201-Y230 HydrophobicContact CD2-CE1 4.3Å; Y201-Y230 HydrophobicContact CE1-CD1 4.33Å; Y201-Y230 AromaticContact CE1-CE1 3.62Å; Y201-Y230 HydrophobicContact CE1-CE1 3.62Å; Y201-Y230 AromaticContact CE2-CE1 3.99Å; Y201-Y230 HydrophobicContact CE2-CE1 3.99Å; Y201-Y230 HydrophobicContact CG-CE1 4.29Å; Y201-Y230 AromaticContact CZ-CE1 3.61Å; Y201-E231 PolarHBondContact OH-OE1 3.07Å; Y201-E231 PolarHBondContact OH-OE2 3.33Å; Y201-M234 HydrophobicContact CD1-CB 3.95Å; Y201-M234 HydrophobicContact CD1-CE 3.92Å; Y201-M234 HydrophobicContact CD1-CG 3.8Å; Y201-M234 HydrophobicContact CE1-CB 3.66Å; Y201-M234 HydrophobicContact CE1-CG 3.66Å
202R95.8Very high94.6Very high63 Ų6371.1 Ų71.124%0.23835%0.349CS..G310 helixtrans-79.9-25174.3-63.7-176.665-169.1-6111.8V198 P199 Y200 A204 W217 E219 R220 L223 E231V198-R202 HydrophobicContact CG1-CB 3.98Å; P199-R202 PolarHBondContact O-N 3.1Å; Y200-R202 PolarHBondContact O-N 3.45Å; R202-A204 PolarHBondContact O-N 3.18Å; R202-W217 HydrophobicContact CB-CH2 4.42Å; R202-W217 HydrophobicContact CB-CZ3 4.27Å; R202-E219 IonicContact CZ-OE1 3.79Å; R202-E219 VanDerWaalsContact CZ-OE1 3.25Å; R202-E219 IonicContact NE-OE1 2.76Å; R202-E219 PolarHBondContact NE-OE1 2.59Å; R202-E219 IonicContact NH2-OE1 3.72Å; R202-E219 PolarHBondContact NH2-OE1 2.84Å; R202-E219 CarbonylContact O-C 3.51Å; R202-E219 VanDerWaalsContact O-CA 3.31Å; R202-E219 WeakPolarHBondContact O-CA 3.23Å; R202-R220 PolarHBondContact O-N 3.1Å; R202-L223 HydrophobicContact CG-CD1 4.38Å; R202-E231 IonicContact NH1-OE1 2.85Å
203V96.4Very high94.8Very high13 Ų1369.7 Ų69.78%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-84.1117.9-173.9-173.10000111.2V198 Y200 W217 R220 P270 N271V198-V203 HydrophobicContact CG1-CG2 3.87Å; Y200-V203 PolarHBondContact O-N 2.93Å; V203-W217 HydrophobicContact CB-CE3 4.23Å; V203-W217 HydrophobicContact CG1-CB 4.43Å; V203-W217 HydrophobicContact CG1-CE3 4.2Å; V203-W217 HydrophobicContact CG2-CE3 3.89Å; V203-W217 HydrophobicContact CG2-CZ3 4.15Å; V203-R220 PolarHBondContact O-NE 3.1Å; V203-R220 PolarHBondContact O-NH2 3.46Å; V203-P270 HydrophobicContact CG2-CB 4.22Å; V203-N271 HydrophobicContact CG2-CB 4.01Å
204A96.8Very high94.9Very high50 Ų5072.4 Ų72.441%0.41336%0.363SS..EExtended strand (participates in β ladder)trans-87.3-45.1174.500000112.1R202 K218 R220R202-A204 PolarHBondContact O-N 3.18Å; A204-K218 VanDerWaalsContact CB-O 3.23Å; A204-K218 WeakPolarHBondContact CB-O 3.31Å; A204-K218 PolarHBondContact N-O 3.36Å; A204-R220 HydrophobicContact CB-CB 4.33Å; A204-R220 HydrophobicContact CB-CG 3.61Å
205S97Very high95Very high56 Ų5665.4 Ų65.439%0.39234%0.337SS..EExtended strand (participates in β ladder)trans-156.7155.3-179.561.10000109.5W217 K218S205-W217 CarbonylContact O-C 3.5Å; S205-W217 VanDerWaalsContact O-CA 3.25Å; S205-W217 WeakPolarHBondContact O-CA 3.49Å; S205-W217 WeakPolarHBondContact O-CB 3.02Å; S205-K218 PolarHBondContact O-N 2.63Å
206K96.8Very high95.1Very high94 Ų9470 Ų7041%0.40936%0.357SS..EExtended strand (participates in β ladder)trans-135.5158.7173.860.1173.7166.9-1720111.2K216 W217 E268 P270 N271K206-K216 CarbonylContact C-O 3.48Å; K206-K216 VanDerWaalsContact CA-O 3.3Å; K206-K216 WeakPolarHBondContact CA-O 3.48Å; K206-W217 HydrophobicContact CB-CB 4.26Å; K206-E268 WeakPolarHBondContact CE-OE1 2.74Å; K206-E268 IonicContact NZ-OE1 2.77Å; K206-E268 PolarHBondContact NZ-OE1 3.13Å; K206-P270 WeakPolarHBondContact CD-O 3.24Å; K206-N271 WeakPolarHBondContact CB-O 3.32Å
207E96.7Very high95.4Very high107 Ų10766.8 Ų66.850%0.534%0.339SS..EExtended strand (participates in β ladder)trans-114.4146.6169.3-64.5173.9-16900109.2K216E207-K216 HydrophobicContact CB-CB 3.95Å; E207-K216 HydrophobicContact CB-CD 4.48Å; E207-K216 PolarHBondContact N-O 3.26Å
208P95.2Very high95.5Very high130 Ų13072.7 Ų72.784%0.84436%0.364SS*.  trans-63.6139.3174.828-34000110.3
209V96.3Very high95.6Very high15 Ų1577.3 Ų77.39%0.09139%0.385CS..  trans-130.2155.8176.2-61.60000108.7E213 K216 N274V209-E213 HydrophobicContact CB-CB 4.04Å; V209-E213 HydrophobicContact CG2-CB 4.4Å; V209-K216 HydrophobicContact CG1-CB 4.05Å; V209-K216 HydrophobicContact CG1-CD 3.98Å; V209-K216 HydrophobicContact CG1-CG 3.84Å; V209-N274 PolarHBondContact O-ND2 2.97Å; V209-N274 VanDerWaalsContact O-ND2 3.15Å
210N95.4Very high95.7Very high110 Ų11083.4 Ų83.459%0.58841%0.408SS*.  trans-68.7166.6174.8-56-52.6000110.3R212 E213N210-R212 PolarHBondContact O-N 2.86Å; N210-E213 HydrophobicContact CB-CG 3.99Å; N210-E213 PolarHBondContact N-OE2 3.32Å; N210-E213 VanDerWaalsContact N-OE2 3.15Å; N210-E213 PolarHBondContact ND2-OE1 2.95Å; N210-E213 PolarHBondContact ND2-OE2 3.4Å; N210-E213 WeakPolarHBondContact O-CB 3.43Å; N210-E213 PolarHBondContact O-N 2.88Å
211E94.3Very high95.6Very high85 Ų8584.3 Ų84.340%0.39742%0.424SS..THydrogen-bonded Turntrans-53132.2179.5-159.3-156.1146.300111.8E213 N274 E276E211-E213 PolarHBondContact O-N 2.91Å; E211-N274 WeakPolarHBondContact CA-OD1 3.44Å; E211-E276 HydrophobicContact CG-CG 4.49Å; E211-E276 PolarHBondContact OE1-N 2.8Å; E211-E276 VanDerWaalsContact OE1-N 3.13Å
212R93.5Very high95.5Very high156 Ų15691.2 Ų91.259%0.58946%0.462SS*.THydrogen-bonded Turntrans61.12.3-178.1-55.8-175.9176.8-155.2-7.9115.9N210 N274 F275N210-R212 PolarHBondContact O-N 2.86Å; R212-N274 PolarHBondContact N-O 3.02Å; R212-F275 HydrophobicContact CG-CB 4.12Å
213E95.2Very high95.3Very high78 Ų7891 Ų9136%0.36447%0.465SS..SBendtrans-68.8146.9170.6-72.9-176.7176.300110.4V209 N210 E211 A215 F273V209-E213 HydrophobicContact CB-CB 4.04Å; V209-E213 HydrophobicContact CG2-CB 4.4Å; N210-E213 HydrophobicContact CB-CG 3.99Å; N210-E213 PolarHBondContact N-OE2 3.32Å; N210-E213 VanDerWaalsContact N-OE2 3.15Å; N210-E213 PolarHBondContact ND2-OE1 2.95Å; N210-E213 PolarHBondContact ND2-OE2 3.4Å; N210-E213 WeakPolarHBondContact O-CB 3.43Å; N210-E213 PolarHBondContact O-N 2.88Å; E211-E213 PolarHBondContact O-N 2.91Å; E213-A215 PolarHBondContact O-N 2.92Å; E213-F273 WeakPolarHBondContact O-CD2 3.43Å
214P94.8Very high95.2Very high109 Ų10992.4 Ų92.471%0.70848%0.475SS*.PPolyproline II helixtrans-55.4131.9175.9-25.834.5000112K216P214-K216 PolarHBondContact O-N 3.35Å
215A95.9Very high95Very high27 Ų2794.2 Ų94.222%0.22348%0.482CS..PPolyproline II helixtrans-59132.5179.700000112.3E213 N271 F273E213-A215 PolarHBondContact O-N 2.92Å; A215-N271 HydrophobicContact CB-CB 4.31Å; A215-F273 HydrophobicContact CB-CB 3.96Å
216K96.6Very high94.9Very high112 Ų11293.6 Ų93.649%0.48748%0.476SS..EExtended strand (participates in β ladder)trans-97.899170.9-70.3177.4-173.1169.20109.2K206 E207 V209 P214K206-K216 CarbonylContact C-O 3.48Å; K206-K216 VanDerWaalsContact CA-O 3.3Å; K206-K216 WeakPolarHBondContact CA-O 3.48Å; E207-K216 HydrophobicContact CB-CB 3.95Å; E207-K216 HydrophobicContact CB-CD 4.48Å; E207-K216 PolarHBondContact N-O 3.26Å; V209-K216 HydrophobicContact CG1-CB 4.05Å; V209-K216 HydrophobicContact CG1-CD 3.98Å; V209-K216 HydrophobicContact CG1-CG 3.84Å; P214-K216 PolarHBondContact O-N 3.35Å
217W97.2Very high94.8Very high71 Ų7190 Ų9027%0.26946%0.462SS..EExtended strand (participates in β ladder)trans-139.7160.9-179.269.2-74.1000112.4V198 R202 V203 S205 K206 E219 N271V198-W217 HydrophobicContact CB-CZ2 4.34Å; V198-W217 HydrophobicContact CG1-CE3 4.5Å; V198-W217 HydrophobicContact CG1-CH2 3.47Å; V198-W217 VanDerWaalsContact CG1-CH2 3.47Å; V198-W217 HydrophobicContact CG1-CZ2 3.71Å; V198-W217 HydrophobicContact CG1-CZ3 3.88Å; V198-W217 HydrophobicContact CG2-CH2 4.36Å; V198-W217 HydrophobicContact CG2-CZ2 3.77Å; R202-W217 HydrophobicContact CB-CH2 4.42Å; R202-W217 HydrophobicContact CB-CZ3 4.27Å; V203-W217 HydrophobicContact CB-CE3 4.23Å; V203-W217 HydrophobicContact CG1-CB 4.43Å; V203-W217 HydrophobicContact CG1-CE3 4.2Å; V203-W217 HydrophobicContact CG2-CE3 3.89Å; V203-W217 HydrophobicContact CG2-CZ3 4.15Å; S205-W217 CarbonylContact O-C 3.5Å; S205-W217 VanDerWaalsContact O-CA 3.25Å; S205-W217 WeakPolarHBondContact O-CA 3.49Å; S205-W217 WeakPolarHBondContact O-CB 3.02Å; K206-W217 HydrophobicContact CB-CB 4.26Å; W217-E219 HydrophobicContact CH2-CB 4.19Å; W217-E219 HydrophobicContact CH2-CG 4.4Å; W217-E219 HydrophobicContact CZ3-CB 3.81Å; W217-E219 HydrophobicContact CZ3-CG 4.17Å; W217-N271 HydrophobicContact CB-CB 4.27Å; W217-N271 WeakPolarHBondContact CB-O 3.4Å; W217-N271 HydrophobicContact CD2-CB 4Å; W217-N271 HydrophobicContact CG-CB 3.76Å
218K96.9Very high94.7Very high140 Ų14089.9 Ų89.961%0.60947%0.469SS*.EExtended strand (participates in β ladder)trans-115.1133.4174.8-62.9-179.1-179.1172.30109.3A204 S205A204-K218 VanDerWaalsContact CB-O 3.23Å; A204-K218 WeakPolarHBondContact CB-O 3.31Å; A204-K218 PolarHBondContact N-O 3.36Å; S205-K218 PolarHBondContact O-N 2.63Å
219E95.5Very high94.8Very high97 Ų9785.1 Ų85.145%0.45344%0.439SS..EExtended strand (participates in β ladder)trans-72.7143.7175-170.8161.7-141.600111.3R202 W217 T221R202-E219 IonicContact CZ-OE1 3.79Å; R202-E219 VanDerWaalsContact CZ-OE1 3.25Å; R202-E219 IonicContact NE-OE1 2.76Å; R202-E219 PolarHBondContact NE-OE1 2.59Å; R202-E219 IonicContact NH2-OE1 3.72Å; R202-E219 PolarHBondContact NH2-OE1 2.84Å; R202-E219 CarbonylContact O-C 3.51Å; R202-E219 VanDerWaalsContact O-CA 3.31Å; R202-E219 WeakPolarHBondContact O-CA 3.23Å; W217-E219 HydrophobicContact CH2-CB 4.19Å; W217-E219 HydrophobicContact CH2-CG 4.4Å; W217-E219 HydrophobicContact CZ3-CB 3.81Å; W217-E219 HydrophobicContact CZ3-CG 4.17Å; E219-T221 PolarHBondContact O-N 3.27Å
220R95.5Very high94.8Very high128 Ų12884.6 Ų84.648%0.48344%0.435SS..PPolyproline II helixtrans-65.1124.7175.2-72-165.9-172.2-115.1-6.9110Y201 R202 V203 A204 L223Y201-R220 VanDerWaalsContact O-CD 3.24Å; Y201-R220 WeakPolarHBondContact O-CD 3.44Å; R202-R220 PolarHBondContact O-N 3.1Å; V203-R220 PolarHBondContact O-NE 3.1Å; V203-R220 PolarHBondContact O-NH2 3.46Å; A204-R220 HydrophobicContact CB-CB 4.33Å; A204-R220 HydrophobicContact CB-CG 3.61Å; R220-L223 HydrophobicContact CB-CD1 3.99Å; R220-L223 HydrophobicContact CB-CD2 4.25Å; R220-L223 HydrophobicContact CB-CG 3.94Å
221T92.3Very high94.8Very high117 Ų11781.5 Ų81.572%0.71842%0.418SS*.THydrogen-bonded Turntrans-73.5150.217057.20000110.4E219E219-T221 PolarHBondContact O-N 3.27Å
222N90.7Very high94.8Very high158 Ų15882 Ų8285%0.84542%0.423SS*.THydrogen-bonded Turntrans69.325.8175.5-46-41.7000115.5
223L93.1Very high95Very high57 Ų5776.2 Ų76.230%0.29840%0.401SS..PPolyproline II helixtrans-68.9133.3168.3-70.1175.8000110.2P57 Y201 R202 R220P57-L223 HydrophobicContact CG-CD2 3.84Å; Y201-L223 HydrophobicContact CD2-CD1 4.12Å; Y201-L223 HydrophobicContact CD2-CD2 4.35Å; Y201-L223 HydrophobicContact CE2-CD1 4.36Å; R202-L223 HydrophobicContact CG-CD1 4.38Å; R220-L223 HydrophobicContact CB-CD1 3.99Å; R220-L223 HydrophobicContact CB-CD2 4.25Å; R220-L223 HydrophobicContact CB-CG 3.94Å
224P93.9Very high95.1Very high44 Ų4472.5 Ų72.529%0.28638%0.384SS..PPolyproline II helixtrans-67.3154.2169.329.5-32.8000110P57 K59 V226P57-P224 HydrophobicContact CB-CG 4.19Å; P57-P224 VanDerWaalsContact O-CG 3.26Å; P57-P224 WeakPolarHBondContact O-CG 3.49Å; K59-P224 HydrophobicContact CB-CB 4.21Å; P224-V226 PolarHBondContact O-N 3.24Å
225P92.4Very high95.1Very high88 Ų8868.9 Ų68.957%0.57136%0.358SS*.PPolyproline II helixtrans-63125.6172.126.6-32.8000109.5K59K59-P225 WeakPolarHBondContact CA-O 3.48Å; K59-P225 HydrophobicContact CB-CG 4.36Å; K59-P225 HydrophobicContact CD-CG 3.88Å; K59-P225 HydrophobicContact CG-CG 3.93Å
226V94.5Very high95.1Very high42 Ų4270.6 Ų70.626%0.25536%0.361SS..PPolyproline II helixtrans-101159.7-179.7-63.50000111.2P57 P224 Y230P57-V226 HydrophobicContact CB-CG1 3.58Å; P224-V226 PolarHBondContact O-N 3.24Å; V226-Y230 HydrophobicContact CB-CD1 3.6Å; V226-Y230 HydrophobicContact CB-CE1 4.24Å; V226-Y230 HydrophobicContact CB-CG 4.17Å; V226-Y230 HydrophobicContact CG1-CD1 3.66Å; V226-Y230 HydrophobicContact CG1-CE1 3.8Å; V226-Y230 HydrophobicContact CG1-CG 4.35Å; V226-Y230 HydrophobicContact CG2-CD1 3.96Å
227S94.5Very high95.1Very high19 Ų1966.7 Ų66.713%0.13335%0.347CS..PPolyproline II helixtrans-78.2161.7174.759.80000112T61 D62 S229 Y230 E231T61-S227 WeakPolarHBondContact O-CB 3.41Å; T61-S227 PolarHBondContact O-OG 2.87Å; D62-S227 WeakPolarHBondContact OD1-CB 3.16Å; D62-S227 PolarHBondContact OD1-OG 3.32Å; S227-S229 VanDerWaalsContact C-N 3.27Å; S227-S229 PolarHBondContact O-N 2.9Å; S227-S229 PolarHBondContact OG-OG 3.37Å; S227-Y230 PolarHBondContact O-N 3.02Å; S227-Y230 VanDerWaalsContact OG-CB 3.29Å; S227-Y230 WeakPolarHBondContact OG-CB 3.36Å; S227-Y230 PolarHBondContact OG-N 3.14Å; S227-Y230 VanDerWaalsContact OG-N 3.16Å; S227-E231 PolarHBondContact O-N 3.11Å
228T95.5Very high95Very high105 Ų10564.1 Ų64.164%0.64434%0.338SS*.Hα-helixtrans-62.2-36.5172.6-53.70000111.9Y230 E231 N232T228-Y230 VanDerWaalsContact C-N 3.34Å; T228-E231 PolarHBondContact O-N 2.93Å; T228-N232 VanDerWaalsContact O-CB 3.31Å; T228-N232 WeakPolarHBondContact O-CB 3.47Å; T228-N232 PolarHBondContact O-N 3.32Å; T228-N232 PolarHBondContact O-ND2 3.28Å
229S96.2Very high95Very high30 Ų3057.6 Ų57.621%0.2131%0.31CS..Hα-helixtrans-64.6-39.7177.6610000111.6D62 L63 S227 Y233D62-S229 WeakPolarHBondContact CA-OG 3.37Å; D62-S229 WeakPolarHBondContact CB-OG 3.42Å; D62-S229 PolarHBondContact OD1-OG 2.8Å; L63-S229 PolarHBondContact N-OG 2.86Å; S227-S229 VanDerWaalsContact C-N 3.27Å; S227-S229 PolarHBondContact O-N 2.9Å; S227-S229 PolarHBondContact OG-OG 3.37Å; S229-Y233 WeakPolarHBondContact O-CB 3.26Å; S229-Y233 PolarHBondContact O-N 3.27Å
230Y96.5Very high95.1Very high3 Ų354.5 Ų54.51%0.01230%0.296CS..Hα-helixtrans-63.8-51.8172.9179.9-86.3000111.8I54 L55 P57 L63 Y201 V226 S227 T228 N232 Y233 M234I54-Y230 VanDerWaalsContact O-CE2 3.25Å; I54-Y230 WeakPolarHBondContact O-CE2 3.26Å; L55-Y230 PolarHBondContact O-OH 3.15Å; P57-Y230 WeakPolarHBondContact CA-OH 3.38Å; P57-Y230 HydrophobicContact CB-CE1 4.01Å; P57-Y230 WeakPolarHBondContact CD-OH 3.31Å; L63-Y230 HydrophobicContact CD1-CD2 3.77Å; L63-Y230 HydrophobicContact CD1-CE2 4.48Å; L63-Y230 HydrophobicContact CD1-CG 4.42Å; L63-Y230 HydrophobicContact CD2-CD2 4.42Å; L63-Y230 HydrophobicContact CG-CD2 4.05Å; Y201-Y230 AromaticContact CD1-CE1 3.98Å; Y201-Y230 HydrophobicContact CD1-CE1 3.98Å; Y201-Y230 HydrophobicContact CD2-CE1 4.3Å; Y201-Y230 HydrophobicContact CE1-CD1 4.33Å; Y201-Y230 AromaticContact CE1-CE1 3.62Å; Y201-Y230 HydrophobicContact CE1-CE1 3.62Å; Y201-Y230 AromaticContact CE2-CE1 3.99Å; Y201-Y230 HydrophobicContact CE2-CE1 3.99Å; Y201-Y230 HydrophobicContact CG-CE1 4.29Å; Y201-Y230 AromaticContact CZ-CE1 3.61Å; V226-Y230 HydrophobicContact CB-CD1 3.6Å; V226-Y230 HydrophobicContact CB-CE1 4.24Å; V226-Y230 HydrophobicContact CB-CG 4.17Å; V226-Y230 HydrophobicContact CG1-CD1 3.66Å; V226-Y230 HydrophobicContact CG1-CE1 3.8Å; V226-Y230 HydrophobicContact CG1-CG 4.35Å; V226-Y230 HydrophobicContact CG2-CD1 3.96Å; S227-Y230 PolarHBondContact O-N 3.02Å; S227-Y230 VanDerWaalsContact OG-CB 3.29Å; S227-Y230 WeakPolarHBondContact OG-CB 3.36Å; S227-Y230 PolarHBondContact OG-N 3.14Å; S227-Y230 VanDerWaalsContact OG-N 3.16Å; T228-Y230 VanDerWaalsContact C-N 3.34Å; Y230-N232 VanDerWaalsContact C-N 3.32Å; Y230-N232 PolarHBondContact O-N 2.77Å; Y230-Y233 PolarHBondContact O-N 3.02Å; Y230-M234 HydrophobicContact CD1-CG 3.99Å; Y230-M234 HydrophobicContact CE1-CG 3.6Å; Y230-M234 HydrophobicContact CE2-CG 4.25Å; Y230-M234 HydrophobicContact CE2-SD 4.29Å; Y230-M234 HydrophobicContact CG-CG 4.48Å; Y230-M234 VanDerWaalsContact O-CG 3.31Å; Y230-M234 WeakPolarHBondContact O-CG 3.46Å; Y230-M234 PolarHBondContact O-N 3.35Å
231E95.5Very high95.1Very high46 Ų4652.2 Ų52.222%0.21529%0.293CS..Hα-helixtrans-55.9-47.5178.4-171.986-148.900110.9Y201 R202 S227 T228 Y233 M234 L235Y201-E231 PolarHBondContact OH-OE1 3.07Å; Y201-E231 PolarHBondContact OH-OE2 3.33Å; R202-E231 IonicContact NH1-OE1 2.85Å; S227-E231 PolarHBondContact O-N 3.11Å; T228-E231 PolarHBondContact O-N 2.93Å; E231-Y233 PolarHBondContact O-N 3.1Å; E231-M234 PolarHBondContact O-N 3.21Å; E231-L235 HydrophobicContact CG-CD1 4.2Å; E231-L235 WeakPolarHBondContact O-CB 3.43Å; E231-L235 WeakPolarHBondContact O-CG 3.07Å; E231-L235 PolarHBondContact O-N 2.64Å
232N95.6Very high95.3Very high94 Ų9446.7 Ų46.750%0.50326%0.259SS..Hα-helixtrans-61.6-39.9178.8-73.1-14.6000112.9T228 Y230 K236T228-N232 VanDerWaalsContact O-CB 3.31Å; T228-N232 WeakPolarHBondContact O-CB 3.47Å; T228-N232 PolarHBondContact O-N 3.32Å; T228-N232 PolarHBondContact O-ND2 3.28Å; Y230-N232 VanDerWaalsContact C-N 3.32Å; Y230-N232 PolarHBondContact O-N 2.77Å; N232-K236 WeakPolarHBondContact O-CB 3.32Å; N232-K236 PolarHBondContact O-N 3.32Å
233Y96.5Very high95.6Very high35 Ų3539.6 Ų39.614%0.13722%0.221CC..Hα-helixtrans-65.9-44.3176.6177.7-92.9000111.5P32 T34 I54 L55 L63 S229 Y230 E231 L235 K236 C237P32-Y233 WeakPolarHBondContact CB-OH 3.44Å; T34-Y233 HydrophobicContact CG2-CD2 3.88Å; T34-Y233 HydrophobicContact CG2-CE2 3.85Å; T34-Y233 WeakPolarHBondContact OG1-CE2 3.29Å; I54-Y233 HydrophobicContact CD1-CE1 4.06Å; L55-Y233 HydrophobicContact CD2-CE1 4.01Å; L63-Y233 HydrophobicContact CD1-CD1 3.44Å; L63-Y233 VanDerWaalsContact CD1-CD1 3.44Å; L63-Y233 HydrophobicContact CD1-CD2 4.37Å; L63-Y233 HydrophobicContact CD1-CE1 4.2Å; L63-Y233 HydrophobicContact CD1-CG 3.55Å; S229-Y233 WeakPolarHBondContact O-CB 3.26Å; S229-Y233 PolarHBondContact O-N 3.27Å; Y230-Y233 PolarHBondContact O-N 3.02Å; E231-Y233 PolarHBondContact O-N 3.1Å; Y233-L235 VanDerWaalsContact C-N 3.34Å; Y233-L235 PolarHBondContact O-N 3.06Å; Y233-K236 WeakPolarHBondContact O-CB 3.44Å; Y233-K236 PolarHBondContact O-N 2.98Å; Y233-K236 VanDerWaalsContact O-N 3.17Å; Y233-C237 VanDerWaalsContact CE1-SG 3.52Å; Y233-C237 PolarHBondContact O-N 3.09Å; Y233-C237 PolarHBondContact O-SG 3.1Å; Y233-C237 VanDerWaalsContact O-SG 3.41Å
234M96.8Very high95.7Very high0 Ų041 Ų410%024%0.241CC..Hα-helixtrans-66-38.2178.9-62-53.7-69.300111.8L55 P199 Y200 Y201 Y230 E231 C237 Q238L55-M234 HydrophobicContact CD2-CE 4.19Å; L55-M234 HydrophobicContact CD2-SD 3.98Å; P199-M234 HydrophobicContact CB-CB 3.99Å; P199-M234 HydrophobicContact CG-CB 4.38Å; Y200-M234 HydrophobicContact CD1-CE 3.96Å; Y200-M234 HydrophobicContact CE1-CE 3.12Å; Y200-M234 VanDerWaalsContact CZ-CE 3.45Å; Y200-M234 WeakPolarHBondContact OH-CE 3.41Å; Y201-M234 HydrophobicContact CD1-CB 3.95Å; Y201-M234 HydrophobicContact CD1-CE 3.92Å; Y201-M234 HydrophobicContact CD1-CG 3.8Å; Y201-M234 HydrophobicContact CE1-CB 3.66Å; Y201-M234 HydrophobicContact CE1-CG 3.66Å; Y230-M234 HydrophobicContact CD1-CG 3.99Å; Y230-M234 HydrophobicContact CE1-CG 3.6Å; Y230-M234 HydrophobicContact CE2-CG 4.25Å; Y230-M234 HydrophobicContact CE2-SD 4.29Å; Y230-M234 HydrophobicContact CG-CG 4.48Å; Y230-M234 VanDerWaalsContact O-CG 3.31Å; Y230-M234 WeakPolarHBondContact O-CG 3.46Å; Y230-M234 PolarHBondContact O-N 3.35Å; E231-M234 PolarHBondContact O-N 3.21Å; M234-C237 PolarHBondContact O-N 2.81Å; M234-Q238 PolarHBondContact O-N 2.97Å; M234-Q238 VanDerWaalsContact O-N 3.12Å
235L95.8Very high95.9Very high33 Ų3342 Ų4217%0.17325%0.249CC..Hα-helixtrans-60.4-48.5169.4-73.7170.1000111V197 P199 E231 Y233 C237 Q238 I239V197-L235 HydrophobicContact CB-CD2 4.01Å; V197-L235 HydrophobicContact CG1-CD2 3.82Å; V197-L235 WeakPolarHBondContact O-CD2 3.26Å; P199-L235 HydrophobicContact CG-CD2 3.63Å; P199-L235 HydrophobicContact CG-CG 3.85Å; E231-L235 HydrophobicContact CG-CD1 4.2Å; E231-L235 WeakPolarHBondContact O-CB 3.43Å; E231-L235 WeakPolarHBondContact O-CG 3.07Å; E231-L235 PolarHBondContact O-N 2.64Å; Y233-L235 VanDerWaalsContact C-N 3.34Å; Y233-L235 PolarHBondContact O-N 3.06Å; L235-C237 VanDerWaalsContact C-N 3.32Å; L235-C237 PolarHBondContact O-N 2.72Å; L235-Q238 WeakPolarHBondContact O-CB 3.48Å; L235-Q238 PolarHBondContact O-N 3.35Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 2.8Å
236K95.9Very high96.1Very high63 Ų6338 Ų3827%0.27422%0.223SC..Hα-helixtrans-54.8-46.3176.8-175.3-177.6179.2174.70111.6D179 V182 N232 Y233 Q238 I239 Q240D179-K236 WeakPolarHBondContact OD1-CE 3.34Å; D179-K236 IonicContact OD1-NZ 3.78Å; D179-K236 PolarHBondContact OD1-NZ 2.72Å; D179-K236 IonicContact OD2-NZ 3.87Å; D179-K236 PolarHBondContact OD2-NZ 3.04Å; V182-K236 HydrophobicContact CG1-CG 4Å; N232-K236 WeakPolarHBondContact O-CB 3.32Å; N232-K236 PolarHBondContact O-N 3.32Å; Y233-K236 WeakPolarHBondContact O-CB 3.44Å; Y233-K236 PolarHBondContact O-N 2.98Å; Y233-K236 VanDerWaalsContact O-N 3.17Å; K236-Q238 VanDerWaalsContact C-N 3.3Å; K236-Q238 PolarHBondContact O-N 3.19Å; K236-I239 PolarHBondContact O-N 2.84Å; K236-Q240 VanDerWaalsContact O-CG 3.29Å; K236-Q240 WeakPolarHBondContact O-CG 3.35Å; K236-Q240 PolarHBondContact O-N 3.13Å
237C95.8Very high96.2Very high31 Ų3136.4 Ų36.421%0.20921%0.213CC..Hα-helixtrans-60-39.4176.1-69.60000112.4Y233 M234 L235 Q240 D241Y233-C237 VanDerWaalsContact CE1-SG 3.52Å; Y233-C237 PolarHBondContact O-N 3.09Å; Y233-C237 PolarHBondContact O-SG 3.1Å; Y233-C237 VanDerWaalsContact O-SG 3.41Å; M234-C237 PolarHBondContact O-N 2.81Å; L235-C237 VanDerWaalsContact C-N 3.32Å; L235-C237 PolarHBondContact O-N 2.72Å; C237-Q240 WeakPolarHBondContact O-CB 3.32Å; C237-Q240 PolarHBondContact O-N 3.32Å; C237-D241 PolarHBondContact O-N 2.81Å; C237-D241 VanDerWaalsContact O-N 3.1Å
238Q96.2Very high96.4Very high17 Ų1737.2 Ų37.28%0.07922%0.215CC..Hα-helixtrans-66.2-41.6176.9-168.3595300112.3V197 M234 L235 K236 Q240 D241 F242 Y267 F269 P270V197-Q238 HydrophobicContact CG1-CB 4.3Å; V197-Q238 HydrophobicContact CG1-CG 3.94Å; M234-Q238 PolarHBondContact O-N 2.97Å; M234-Q238 VanDerWaalsContact O-N 3.12Å; L235-Q238 WeakPolarHBondContact O-CB 3.48Å; L235-Q238 PolarHBondContact O-N 3.35Å; K236-Q238 VanDerWaalsContact C-N 3.3Å; K236-Q238 PolarHBondContact O-N 3.19Å; Q238-Q240 VanDerWaalsContact C-N 3.32Å; Q238-D241 PolarHBondContact O-N 3.42Å; Q238-F242 PolarHBondContact O-N 3.05Å; Q238-Y267 PolarHBondContact NE2-OH 3.25Å; Q238-F269 HydrophobicContact CG-CD1 4.11Å; Q238-F269 HydrophobicContact CG-CE1 4.41Å; Q238-P270 VanDerWaalsContact CD-CD 3.42Å; Q238-P270 HydrophobicContact CG-CG 4.37Å
239I96.8Very high96.5Very high3 Ų332.3 Ų32.32%0.01519%0.185CC..Hα-helixtrans-68.8-33.8176.7-56-51.9000111.1V182 A185 Q186 I189 V197 L235 K236 D241 F242 V243V182-I239 HydrophobicContact CB-CG2 4.43Å; V182-I239 HydrophobicContact CG1-CB 3.97Å; V182-I239 HydrophobicContact CG1-CG2 3.81Å; A185-I239 HydrophobicContact CB-CG2 3.66Å; Q186-I239 HydrophobicContact CB-CG1 4.43Å; I189-I239 HydrophobicContact CD1-CD1 3.68Å; V197-I239 HydrophobicContact CG1-CD1 4.22Å; V197-I239 HydrophobicContact CG2-CD1 4.07Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 2.8Å; K236-I239 PolarHBondContact O-N 2.84Å; I239-D241 VanDerWaalsContact C-N 3.34Å; I239-F242 WeakPolarHBondContact O-CB 3.35Å; I239-F242 PolarHBondContact O-N 3.06Å; I239-V243 HydrophobicContact CG2-CG2 4.33Å; I239-V243 WeakPolarHBondContact O-CB 3.31Å; I239-V243 VanDerWaalsContact O-CG2 3.28Å; I239-V243 WeakPolarHBondContact O-CG2 3.35Å; I239-V243 PolarHBondContact O-N 3.21Å
240Q96.4Very high96.5Very high32 Ų3231.3 Ų31.315%0.1518%0.178CC..Hα-helixtrans-61.9-41.7173.4-76.4171.4-27.700112.2V182 K236 C237 Q238 V243 A244V182-Q240 HydrophobicContact CG2-CB 4.46Å; V182-Q240 HydrophobicContact CG2-CG 3.44Å; V182-Q240 VanDerWaalsContact CG2-CG 3.44Å; K236-Q240 VanDerWaalsContact O-CG 3.29Å; K236-Q240 WeakPolarHBondContact O-CG 3.35Å; K236-Q240 PolarHBondContact O-N 3.13Å; C237-Q240 WeakPolarHBondContact O-CB 3.32Å; C237-Q240 PolarHBondContact O-N 3.32Å; Q238-Q240 VanDerWaalsContact C-N 3.32Å; Q240-V243 PolarHBondContact O-N 3.02Å; Q240-A244 WeakPolarHBondContact O-CB 3.22Å; Q240-A244 PolarHBondContact O-N 2.96Å
241D96.3Very high96.3Very high80 Ų8037.3 Ų37.343%0.42821%0.206SC..Hα-helixtrans-63.2-44.7174.517778.7000111.8C237 Q238 I239 V243 A244 S245 Y267C237-D241 PolarHBondContact O-N 2.81Å; C237-D241 VanDerWaalsContact O-N 3.1Å; Q238-D241 PolarHBondContact O-N 3.42Å; I239-D241 VanDerWaalsContact C-N 3.34Å; D241-V243 PolarHBondContact O-N 3.38Å; D241-A244 PolarHBondContact O-N 3.15Å; D241-S245 VanDerWaalsContact O-CB 3.31Å; D241-S245 WeakPolarHBondContact O-CB 3.44Å; D241-S245 PolarHBondContact O-N 2.97Å; D241-S245 PolarHBondContact O-OG 3.33Å; D241-Y267 WeakPolarHBondContact OD2-CE2 2.82Å; D241-Y267 PolarHBondContact OD2-OH 3.07Å
242F96.9Very high96.2Very high0 Ų038.2 Ų38.20%021%0.212CC..Hα-helixtrans-54.9-52.3171.5169.5-96.6000111.7A185 I189 Q238 I239 A244 S245 V246 Y267 F275 L277A185-F242 HydrophobicContact CB-CD1 4.2Å; A185-F242 HydrophobicContact CB-CE1 4.17Å; I189-F242 HydrophobicContact CD1-CD1 3.63Å; I189-F242 HydrophobicContact CD1-CD2 4.21Å; I189-F242 HydrophobicContact CD1-CE1 3.66Å; I189-F242 HydrophobicContact CD1-CE2 4.22Å; I189-F242 HydrophobicContact CD1-CG 3.9Å; I189-F242 HydrophobicContact CD1-CZ 3.94Å; I189-F242 HydrophobicContact CG1-CE1 4.22Å; I189-F242 HydrophobicContact CG1-CZ 4.18Å; Q238-F242 PolarHBondContact O-N 3.05Å; I239-F242 WeakPolarHBondContact O-CB 3.35Å; I239-F242 PolarHBondContact O-N 3.06Å; F242-A244 VanDerWaalsContact C-N 3.35Å; F242-A244 PolarHBondContact O-N 3.14Å; F242-S245 PolarHBondContact O-N 3.23Å; F242-S245 VanDerWaalsContact O-N 3.08Å; F242-V246 HydrophobicContact CD1-CG2 4.22Å; F242-V246 HydrophobicContact CD2-CG1 4.29Å; F242-V246 HydrophobicContact CD2-CG2 4.11Å; F242-V246 HydrophobicContact CE1-CG2 3.84Å; F242-V246 HydrophobicContact CE2-CG1 4.22Å; F242-V246 HydrophobicContact CE2-CG2 3.73Å; F242-V246 HydrophobicContact CG-CG2 4.36Å; F242-V246 HydrophobicContact CZ-CG2 3.59Å; F242-V246 WeakPolarHBondContact O-CG2 3.45Å; F242-V246 PolarHBondContact O-N 3.24Å; F242-Y267 HydrophobicContact CB-CE1 4.05Å; F242-Y267 HydrophobicContact CB-CE2 4.14Å; F242-Y267 AromaticContact CD2-CD1 3.62Å; F242-Y267 HydrophobicContact CD2-CD1 3.62Å; F242-Y267 HydrophobicContact CD2-CD2 4.12Å; F242-Y267 AromaticContact CD2-CE1 3.83Å; F242-Y267 HydrophobicContact CD2-CE1 3.83Å; F242-Y267 HydrophobicContact CD2-CE2 4.34Å; F242-Y267 AromaticContact CD2-CG 3.75Å; F242-Y267 HydrophobicContact CD2-CG 3.75Å; F242-Y267 HydrophobicContact CE2-CD1 4.32Å; F242-Y267 HydrophobicContact CE2-CG 4.35Å; F242-Y267 HydrophobicContact CG-CE1 4.45Å; F242-Y267 PolarHBondContact N-OH 3.13Å; F242-F275 HydrophobicContact CE2-CE1 4.37Å; F242-F275 AromaticContact CE2-CZ 3.84Å; F242-F275 HydrophobicContact CE2-CZ 3.84Å; F242-F275 HydrophobicContact CZ-CZ 4.45Å; F242-L277 HydrophobicContact CE2-CD1 3.9Å; F242-L277 HydrophobicContact CE2-CD2 4.12Å; F242-L277 HydrophobicContact CZ-CD1 4.26Å; F242-L277 HydrophobicContact CZ-CD2 3.63Å
243V96.9Very high96.1Very high9 Ų941.8 Ų41.86%0.05522%0.219CC..Hα-helixtrans-56.6-48-179.8158.50000111.6I181 A185 I239 Q240 D241 S245 L247I181-V243 HydrophobicContact CG2-CB 4.46Å; I181-V243 HydrophobicContact CG2-CG1 3.61Å; I181-V243 HydrophobicContact CG2-CG2 3.97Å; A185-V243 HydrophobicContact CB-CG2 3.53Å; I239-V243 HydrophobicContact CG2-CG2 4.33Å; I239-V243 WeakPolarHBondContact O-CB 3.31Å; I239-V243 VanDerWaalsContact O-CG2 3.28Å; I239-V243 WeakPolarHBondContact O-CG2 3.35Å; I239-V243 PolarHBondContact O-N 3.21Å; Q240-V243 PolarHBondContact O-N 3.02Å; D241-V243 PolarHBondContact O-N 3.38Å; V243-S245 PolarHBondContact O-N 3.35Å; V243-L247 HydrophobicContact CB-CD1 4.24Å; V243-L247 HydrophobicContact CB-CG 4.41Å; V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.21Å; V243-L247 HydrophobicContact CG2-CD1 4.05Å; V243-L247 HydrophobicContact CG2-CG 4.44Å; V243-L247 WeakPolarHBondContact O-CB 3.49Å; V243-L247 WeakPolarHBondContact O-CG 3.23Å; V243-L247 PolarHBondContact O-N 2.89Å
244A95.9Very high96Very high87 Ų8742.7 Ų42.772%0.71922%0.222SC*.Hα-helixtrans-66.7-25.3-179.600000112.9Q240 D241 F242Q240-A244 WeakPolarHBondContact O-CB 3.22Å; Q240-A244 PolarHBondContact O-N 2.96Å; D241-A244 PolarHBondContact O-N 3.15Å; F242-A244 VanDerWaalsContact C-N 3.35Å; F242-A244 PolarHBondContact O-N 3.14Å
245S96.3Very high95.9Very high65 Ų6546.3 Ų46.346%0.45524%0.241SC..Hα-helixtrans-87.3-34.8-177-60.40000113.5D241 F242 V243D241-S245 VanDerWaalsContact O-CB 3.31Å; D241-S245 WeakPolarHBondContact O-CB 3.44Å; D241-S245 PolarHBondContact O-N 2.97Å; D241-S245 PolarHBondContact O-OG 3.33Å; F242-S245 PolarHBondContact O-N 3.23Å; F242-S245 VanDerWaalsContact O-N 3.08Å; V243-S245 PolarHBondContact O-N 3.35Å
246V96.9Very high95.9Very high4 Ų449.1 Ų49.12%0.02425%0.254CS..Hα-helixtrans-118.4-26.8-167-48.10000115.5F242 Y267 L277 R281F242-V246 HydrophobicContact CD1-CG2 4.22Å; F242-V246 HydrophobicContact CD2-CG1 4.29Å; F242-V246 HydrophobicContact CD2-CG2 4.11Å; F242-V246 HydrophobicContact CE1-CG2 3.84Å; F242-V246 HydrophobicContact CE2-CG1 4.22Å; F242-V246 HydrophobicContact CE2-CG2 3.73Å; F242-V246 HydrophobicContact CG-CG2 4.36Å; F242-V246 HydrophobicContact CZ-CG2 3.59Å; F242-V246 WeakPolarHBondContact O-CG2 3.45Å; F242-V246 PolarHBondContact O-N 3.24Å; V246-Y267 HydrophobicContact CG1-CD2 3.97Å; V246-Y267 HydrophobicContact CG1-CG 4.2Å; V246-L277 HydrophobicContact CG2-CD2 4.25Å; V246-R281 HydrophobicContact CG2-CB 4.49Å; V246-R281 WeakPolarHBondContact O-CB 3.22Å; V246-R281 WeakPolarHBondContact O-CD 3.49Å
247L97.6Very high95.9Very high8 Ų850.1 Ų50.14%0.04227%0.269CS..  trans-69.9144.3-172-64.3-165.6000112.2I181 V243 R281 I284 P285 I337I181-L247 HydrophobicContact CG2-CD1 3.52Å; V243-L247 HydrophobicContact CB-CD1 4.24Å; V243-L247 HydrophobicContact CB-CG 4.41Å; V243-L247 HydrophobicContact CG1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CG 4.21Å; V243-L247 HydrophobicContact CG2-CD1 4.05Å; V243-L247 HydrophobicContact CG2-CG 4.44Å; V243-L247 WeakPolarHBondContact O-CB 3.49Å; V243-L247 WeakPolarHBondContact O-CG 3.23Å; V243-L247 PolarHBondContact O-N 2.89Å; L247-R281 HydrophobicContact CD2-CB 4.4Å; L247-R281 WeakPolarHBondContact CD2-O 3.47Å; L247-I284 HydrophobicContact CD1-CB 4.09Å; L247-I284 HydrophobicContact CD1-CG2 3.65Å; L247-I284 HydrophobicContact CD2-CB 4.06Å; L247-I284 HydrophobicContact CD2-CD1 3.78Å; L247-I284 HydrophobicContact CD2-CG2 4.43Å; L247-P285 HydrophobicContact CB-CG 4.41Å; L247-I337 HydrophobicContact CB-CG2 4.05Å
248Q97.6Very high95.8Very high36 Ų3652.4 Ų52.417%0.16828%0.277CS..BIsolated β-bridgetrans-143.1134.4176.8-176.7177.6-15.400109.6R281 F282 P285 T338Q248-R281 PolarHBondContact N-O 2.86Å; Q248-F282 HydrophobicContact CB-CD1 4.07Å; Q248-F282 HydrophobicContact CB-CE1 3.79Å; Q248-F282 HydrophobicContact CB-CZ 4.3Å; Q248-F282 HydrophobicContact CG-CD1 4.12Å; Q248-F282 HydrophobicContact CG-CE1 3.55Å; Q248-F282 HydrophobicContact CG-CZ 4.26Å; Q248-F282 VanDerWaalsContact O-CA 3.31Å; Q248-F282 WeakPolarHBondContact O-CA 3.48Å; Q248-F282 WeakPolarHBondContact O-CD1 3.23Å; Q248-P285 WeakPolarHBondContact O-CG 3.21Å; Q248-T338 HydrophobicContact CG-CG2 4.02Å
249V97.4Very high95.8Very high2 Ų251.8 Ų51.81%0.01227%0.274CS..  trans-82.7133.1174.4174.40000109.3P285 F289 I337 T338 F340 R343V249-P285 HydrophobicContact CG2-CB 3.75Å; V249-P285 HydrophobicContact CG2-CG 4.18Å; V249-F289 HydrophobicContact CB-CE2 4.4Å; V249-F289 HydrophobicContact CG1-CD2 3.85Å; V249-F289 HydrophobicContact CG1-CE2 3.55Å; V249-F289 HydrophobicContact CG1-CZ 4.28Å; V249-F289 HydrophobicContact CG2-CE2 3.86Å; V249-I337 HydrophobicContact CG2-CB 4.46Å; V249-I337 HydrophobicContact CG2-CG2 3.81Å; V249-T338 PolarHBondContact N-O 3.41Å; V249-F340 HydrophobicContact CG2-CB 4.32Å; V249-R343 HydrophobicContact CG1-CB 3.4Å; V249-R343 VanDerWaalsContact CG1-CB 3.4Å; V249-R343 HydrophobicContact CG1-CG 3.62Å
250S96.7Very high95.8Very high9 Ų956.1 Ų56.16%0.06330%0.298CS..  trans-66.3137.1171.6-56.10000110.9D252 R343S250-D252 VanDerWaalsContact C-N 3.27Å; S250-D252 CarbonylContact C-O 3.58Å; S250-D252 WeakPolarHBondContact CB-O 3.25Å; S250-D252 PolarHBondContact O-N 3.49Å; S250-R343 WeakPolarHBondContact O-CD 3.44Å; S250-R343 PolarHBondContact O-NH1 3.46Å
251E93.3Very high95.7Very high130 Ų13059.8 Ų59.861%0.60732%0.322SS*.SBendtrans-61-37.3178.7-66.4-176.3176.800112.5R343 R346E251-R343 VanDerWaalsContact O-CD 3.32Å; E251-R343 WeakPolarHBondContact O-CD 3.33Å; E251-R346 WeakPolarHBondContact O-CD 3.4Å
252D93Very high95.7Very high64 Ų6459.4 Ų59.434%0.34232%0.317SS..SBendtrans-112.2-174.9171.4-151.6-44.5000109.5S250 Y254 R343 R346S250-D252 VanDerWaalsContact C-N 3.27Å; S250-D252 CarbonylContact C-O 3.58Å; S250-D252 WeakPolarHBondContact CB-O 3.25Å; S250-D252 PolarHBondContact O-N 3.49Å; D252-Y254 PolarHBondContact O-N 2.9Å; D252-R343 PolarHBondContact O-NH1 2.69Å; D252-R346 IonicContact OD1-CZ 2.9Å; D252-R346 IonicContact OD1-NE 3.97Å; D252-R346 IonicContact OD1-NH1 3.73Å; D252-R346 PolarHBondContact OD1-NH1 3.5Å; D252-R346 IonicContact OD1-NH2 2.73Å; D252-R346 PolarHBondContact OD1-NH2 3.41Å; D252-R346 IonicContact OD2-CZ 3.78Å; D252-R346 IonicContact OD2-NE 4Å; D252-R346 PolarHBondContact OD2-NE 3.37Å; D252-R346 IonicContact OD2-NH2 2.66Å; D252-R346 PolarHBondContact OD2-NH2 3.07Å
253R93.2Very high95.7Very high170 Ų17064.2 Ų64.264%0.64235%0.348SS*.SBendtrans-47.2137165.9-69.5-169.1175.8-168.3-4109.7D255R253-D255 PolarHBondContact O-N 2.69Å; R253-D255 VanDerWaalsContact O-N 3.14Å
254Y94.6Very high95.6Very high54 Ų5469.1 Ų69.121%0.21237%0.372CS..  trans-52.7122.2177.3172.3-101.3000111.1D252 Q256 A259 H279 F282 Q283 E286D252-Y254 PolarHBondContact O-N 2.9Å; Y254-Q256 HydrophobicContact CE1-CB 4.43Å; Y254-A259 HydrophobicContact CE2-CB 4Å; Y254-H279 PolarHBondContact OH-ND1 3.2Å; Y254-F282 HydrophobicContact CD2-CB 3.83Å; Y254-F282 HydrophobicContact CE2-CB 3.94Å; Y254-Q283 HydrophobicContact CD1-CG 4.35Å; Y254-Q283 HydrophobicContact CD2-CG 4.24Å; Y254-Q283 HydrophobicContact CE1-CG 3.73Å; Y254-Q283 HydrophobicContact CE2-CG 3.61Å; Y254-Q283 WeakPolarHBondContact OH-CG 3.44Å; Y254-E286 PolarHBondContact N-OE1 2.66Å
255D94.9Very high95.7Very high75 Ų7567.9 Ų67.940%0.40135%0.352SS..  trans-129.6123.8169.7175.572.6000108.1R253 S257 Q258 A259R253-D255 PolarHBondContact O-N 2.69Å; R253-D255 VanDerWaalsContact O-N 3.14Å; D255-S257 VanDerWaalsContact C-N 3.3Å; D255-S257 PolarHBondContact O-N 2.95Å; D255-S257 WeakPolarHBondContact OD2-CA 3.29Å; D255-S257 WeakPolarHBondContact OD2-CB 3.34Å; D255-S257 PolarHBondContact OD2-N 2.99Å; D255-S257 VanDerWaalsContact OD2-N 3.11Å; D255-S257 PolarHBondContact OD2-OG 3.19Å; D255-Q258 HydrophobicContact CB-CB 4.26Å; D255-Q258 PolarHBondContact O-N 2.87Å; D255-Q258 PolarHBondContact OD2-N 3.38Å; D255-A259 WeakPolarHBondContact O-CB 3.46Å; D255-A259 PolarHBondContact O-N 3.29Å
256Q94.8Very high95.6Very high92 Ų9267.2 Ų67.243%0.4336%0.355SS..Hα-helixtrans-63.7-38.3-175.9-176.8172.9-2.900111.7Y254 Q258 A259 D260 H279Y254-Q256 HydrophobicContact CE1-CB 4.43Å; Q256-Q258 VanDerWaalsContact C-N 3.28Å; Q256-Q258 PolarHBondContact O-N 3.09Å; Q256-A259 PolarHBondContact O-N 2.99Å; Q256-A259 VanDerWaalsContact O-N 3.15Å; Q256-D260 WeakPolarHBondContact O-CB 3.39Å; Q256-D260 VanDerWaalsContact O-CG 3.24Å; Q256-D260 PolarHBondContact O-N 3.29Å; Q256-H279 HydrophobicContact CG-CB 4.31Å; Q256-H279 PolarHBondContact NE2-CD2 3.11Å; Q256-H279 PolarHBondContact NE2-NE2 3.2Å; Q256-H279 VanDerWaalsContact NE2-NE2 3.18Å
257S95.9Very high95.7Very high85 Ų8567.7 Ų67.759%0.59436%0.357SS*.Hα-helixtrans-64.6-35.5-178.780.10000112.1D255 T261D255-S257 VanDerWaalsContact C-N 3.3Å; D255-S257 PolarHBondContact O-N 2.95Å; D255-S257 WeakPolarHBondContact OD2-CA 3.29Å; D255-S257 WeakPolarHBondContact OD2-CB 3.34Å; D255-S257 PolarHBondContact OD2-N 2.99Å; D255-S257 VanDerWaalsContact OD2-N 3.11Å; D255-S257 PolarHBondContact OD2-OG 3.19Å; S257-T261 WeakPolarHBondContact O-CG2 2.89Å
258Q95.2Very high95.6Very high79 Ų7972 Ų7237%0.36938%0.377SS..Hα-helixtrans-71.3-44.6171.6-171.3-179.730.400111.6D255 Q256 D260 T261 F262D255-Q258 HydrophobicContact CB-CB 4.26Å; D255-Q258 PolarHBondContact O-N 2.87Å; D255-Q258 PolarHBondContact OD2-N 3.38Å; Q256-Q258 VanDerWaalsContact C-N 3.28Å; Q256-Q258 PolarHBondContact O-N 3.09Å; Q258-D260 VanDerWaalsContact C-N 3.28Å; Q258-D260 PolarHBondContact O-N 3.18Å; Q258-T261 WeakPolarHBondContact O-CB 3.36Å; Q258-T261 PolarHBondContact O-N 2.76Å; Q258-T261 VanDerWaalsContact O-N 3.07Å; Q258-T261 PolarHBondContact O-OG1 2.74Å; Q258-F262 WeakPolarHBondContact O-CD2 3.35Å
259A95.2Very high95.6Very high4 Ų470.3 Ų70.33%0.03337%0.369CS..Hα-helixtrans-60.6-37.9179.900000112.1Y254 D255 Q256 T261 F262 H279 F282Y254-A259 HydrophobicContact CE2-CB 4Å; D255-A259 WeakPolarHBondContact O-CB 3.46Å; D255-A259 PolarHBondContact O-N 3.29Å; Q256-A259 PolarHBondContact O-N 2.99Å; Q256-A259 VanDerWaalsContact O-N 3.15Å; A259-T261 PolarHBondContact O-N 3.18Å; A259-F262 WeakPolarHBondContact O-CB 3.4Å; A259-F262 PolarHBondContact O-N 3.33Å; A259-F262 VanDerWaalsContact O-N 3.11Å; A259-H279 HydrophobicContact CB-CB 3.65Å; A259-F282 HydrophobicContact CB-CD2 3.93Å; A259-F282 HydrophobicContact CB-CE2 4.28Å; A259-F282 HydrophobicContact CB-CG 4.33Å
260D96.1Very high95.5Very high94 Ų9471.4 Ų71.450%0.50338%0.376SS..THydrogen-bonded Turntrans-66.8-14.6177.2-71.2-23000113.3Q256 Q258 F262 H279Q256-D260 WeakPolarHBondContact O-CB 3.39Å; Q256-D260 VanDerWaalsContact O-CG 3.24Å; Q256-D260 PolarHBondContact O-N 3.29Å; Q258-D260 VanDerWaalsContact C-N 3.28Å; Q258-D260 PolarHBondContact O-N 3.18Å; D260-F262 VanDerWaalsContact C-N 3.29Å; D260-H279 IonicContact OD1-CD2 2.67Å; D260-H279 PolarHBondContact OD1-CD2 3.3Å; D260-H279 IonicContact OD1-CG 2.63Å
261T95.9Very high95.5Very high108 Ų10871.4 Ų71.466%0.66338%0.375SS*.THydrogen-bonded Turntrans-76.2-17.9173.5710000113.2S257 Q258 A259S257-T261 WeakPolarHBondContact O-CG2 2.89Å; Q258-T261 WeakPolarHBondContact O-CB 3.36Å; Q258-T261 PolarHBondContact O-N 2.76Å; Q258-T261 VanDerWaalsContact O-N 3.07Å; Q258-T261 PolarHBondContact O-OG1 2.74Å; A259-T261 PolarHBondContact O-N 3.18Å
262F95.4Very high95.6Very high73 Ų7365.2 Ų65.232%0.3235%0.347SS..SBendtrans-80.2145.1177.9-72.8-98.6000110.6Q258 A259 D260 F282Q258-F262 WeakPolarHBondContact O-CD2 3.35Å; A259-F262 WeakPolarHBondContact O-CB 3.4Å; A259-F262 PolarHBondContact O-N 3.33Å; A259-F262 VanDerWaalsContact O-N 3.11Å; D260-F262 VanDerWaalsContact C-N 3.29Å; F262-F282 HydrophobicContact CB-CE2 4.36Å; F262-F282 HydrophobicContact CB-CZ 4.06Å; F262-F282 HydrophobicContact CD1-CZ 4.25Å; F262-F282 AromaticContact CD2-CZ 3.97Å; F262-F282 HydrophobicContact CD2-CZ 3.97Å; F262-F282 AromaticContact CG-CZ 3.83Å; F262-F282 HydrophobicContact CG-CZ 3.83Å
263P96.4Very high95.8Very high101 Ų10163.8 Ų63.866%0.65634%0.338SS*.PPolyproline II helixtrans-60.5146.4173.926.8-34.5000110.3R281P263-R281 VanDerWaalsContact O-CZ 3.25Å; P263-R281 PolarHBondContact O-NH1 3.43Å; P263-R281 PolarHBondContact O-NH2 3.41Å
264M96.5Very high95.9Very high112 Ų11257.3 Ų57.355%0.55232%0.316SS*.PPolyproline II helixtrans-67.4154.3171.9-56.9-171.3177.600110.6E276 L277M264-E276 HydrophobicContact CB-CB 3.84Å; M264-E276 HydrophobicContact SD-CB 4.18Å; M264-L277 VanDerWaalsContact CA-O 3.26Å; M264-L277 WeakPolarHBondContact CA-O 3.45Å; M264-L277 WeakPolarHBondContact CB-O 3.24Å
265I96.5Very high96Very high61 Ų6155.1 Ų55.131%0.31331%0.307SS..EExtended strand (participates in β ladder)trans-120.9127.9178.4-65.4175.6000108.4E276 L277I265-E276 WeakPolarHBondContact O-CA 3.45Å; I265-L277 PolarHBondContact N-O 3.11Å; I265-L277 PolarHBondContact O-N 3.23Å
266G95.5Very high96Very high50 Ų5055.5 Ų55.552%0.51531%0.307SS..EExtended strand (participates in β ladder)trans-76.3142.817500000112.6F275G266-F275 WeakPolarHBondContact CA-O 3.37Å
267Y97.1Very high96Very high15 Ų1551.2 Ų51.26%0.05929%0.287CS..EExtended strand (participates in β ladder)trans-132.4140.5166.1-176.5-96.1000110.2Q238 D241 F242 V246 F269 N274 F275Q238-Y267 PolarHBondContact NE2-OH 3.25Å; D241-Y267 WeakPolarHBondContact OD2-CE2 2.82Å; D241-Y267 PolarHBondContact OD2-OH 3.07Å; F242-Y267 HydrophobicContact CB-CE1 4.05Å; F242-Y267 HydrophobicContact CB-CE2 4.14Å; F242-Y267 AromaticContact CD2-CD1 3.62Å; F242-Y267 HydrophobicContact CD2-CD1 3.62Å; F242-Y267 HydrophobicContact CD2-CD2 4.12Å; F242-Y267 AromaticContact CD2-CE1 3.83Å; F242-Y267 HydrophobicContact CD2-CE1 3.83Å; F242-Y267 HydrophobicContact CD2-CE2 4.34Å; F242-Y267 AromaticContact CD2-CG 3.75Å; F242-Y267 HydrophobicContact CD2-CG 3.75Å; F242-Y267 HydrophobicContact CE2-CD1 4.32Å; F242-Y267 HydrophobicContact CE2-CG 4.35Å; F242-Y267 HydrophobicContact CG-CE1 4.45Å; F242-Y267 PolarHBondContact N-OH 3.13Å; V246-Y267 HydrophobicContact CG1-CD2 3.97Å; V246-Y267 HydrophobicContact CG1-CG 4.2Å; Y267-F269 HydrophobicContact CD1-CD2 4.15Å; Y267-F269 HydrophobicContact CD1-CE1 4.47Å; Y267-F269 HydrophobicContact CD1-CE2 4.13Å; Y267-F269 HydrophobicContact CD1-CG 4.38Å; Y267-F269 HydrophobicContact CD1-CZ 4.28Å; Y267-F269 AromaticContact CE1-CD1 3.75Å; Y267-F269 HydrophobicContact CE1-CD1 3.75Å; Y267-F269 HydrophobicContact CE1-CD2 4.14Å; Y267-F269 AromaticContact CE1-CE1 3.79Å; Y267-F269 HydrophobicContact CE1-CE1 3.79Å; Y267-F269 HydrophobicContact CE1-CE2 4.23Å; Y267-F269 AromaticContact CE1-CG 3.93Å; Y267-F269 HydrophobicContact CE1-CG 3.93Å; Y267-F269 HydrophobicContact CE1-CZ 4.05Å; Y267-N274 VanDerWaalsContact O-CA 3.22Å; Y267-N274 WeakPolarHBondContact O-CA 3.43Å; Y267-F275 HydrophobicContact CD1-CE1 4.32Å; Y267-F275 PolarHBondContact N-O 2.83Å; Y267-F275 PolarHBondContact O-N 3.04Å; Y267-F275 VanDerWaalsContact O-N 3.14Å
268E96.4Very high96Very high99 Ų9947.6 Ų47.646%0.46326%0.262SS..EExtended strand (participates in β ladder)trans-120.8120177.9-176.8-177.814200110.3K206 F273 N274K206-E268 WeakPolarHBondContact CE-OE1 2.74Å; K206-E268 IonicContact NZ-OE1 2.77Å; K206-E268 PolarHBondContact NZ-OE1 3.13Å; E268-F273 WeakPolarHBondContact CA-O 3.44Å; E268-N274 HydrophobicContact CB-CB 3.92Å; E268-N274 HydrophobicContact CG-CB 4.02Å
269F96.7Very high96Very high0 Ų045.5 Ų45.50%025%0.252CS..  trans-70.4161.8173.8-75.1-81.1000111.7I189 I195 V197 Q238 Y267 N271 G272 F273 F275I189-F269 HydrophobicContact CD1-CZ 4.11Å; I189-F269 HydrophobicContact CG2-CZ 4.07Å; I195-F269 HydrophobicContact CG2-CD2 4.3Å; I195-F269 HydrophobicContact CG2-CE2 3.78Å; I195-F269 HydrophobicContact CG2-CZ 4.36Å; V197-F269 HydrophobicContact CG1-CD1 4.19Å; V197-F269 HydrophobicContact CG1-CE1 3.99Å; V197-F269 HydrophobicContact CG2-CE1 3.96Å; V197-F269 HydrophobicContact CG2-CZ 4.19Å; Q238-F269 HydrophobicContact CG-CD1 4.11Å; Q238-F269 HydrophobicContact CG-CE1 4.41Å; Y267-F269 HydrophobicContact CD1-CD2 4.15Å; Y267-F269 HydrophobicContact CD1-CE1 4.47Å; Y267-F269 HydrophobicContact CD1-CE2 4.13Å; Y267-F269 HydrophobicContact CD1-CG 4.38Å; Y267-F269 HydrophobicContact CD1-CZ 4.28Å; Y267-F269 AromaticContact CE1-CD1 3.75Å; Y267-F269 HydrophobicContact CE1-CD1 3.75Å; Y267-F269 HydrophobicContact CE1-CD2 4.14Å; Y267-F269 AromaticContact CE1-CE1 3.79Å; Y267-F269 HydrophobicContact CE1-CE1 3.79Å; Y267-F269 HydrophobicContact CE1-CE2 4.23Å; Y267-F269 AromaticContact CE1-CG 3.93Å; Y267-F269 HydrophobicContact CE1-CG 3.93Å; Y267-F269 HydrophobicContact CE1-CZ 4.05Å; F269-N271 VanDerWaalsContact CB-OD1 3.29Å; F269-N271 WeakPolarHBondContact CB-OD1 3.45Å; F269-N271 PolarHBondContact O-N 2.9Å; F269-N271 VanDerWaalsContact O-N 3.07Å; F269-G272 WeakPolarHBondContact O-CA 3.47Å; F269-G272 PolarHBondContact O-N 2.76Å; F269-F273 AromaticContact CD2-CD1 3.93Å; F269-F273 HydrophobicContact CD2-CD1 3.93Å; F269-F273 HydrophobicContact CE2-CD1 4.3Å; F269-F273 PolarHBondContact N-O 2.85Å; F269-F275 HydrophobicContact CD2-CE1 4.3Å; F269-F275 HydrophobicContact CE2-CD1 4.3Å; F269-F275 AromaticContact CE2-CE1 3.56Å; F269-F275 HydrophobicContact CE2-CE1 3.56Å; F269-F275 HydrophobicContact CE2-CZ 4.37Å; F269-F275 HydrophobicContact CZ-CE1 4.36Å
270P96.1Very high95.9Very high25 Ų2547.2 Ų47.216%0.16226%0.26CS..THydrogen-bonded Turntrans-57.1-30.5-178.5-25.933.3000114.2V203 K206 Q238 G272V203-P270 HydrophobicContact CG2-CB 4.22Å; K206-P270 WeakPolarHBondContact CD-O 3.24Å; Q238-P270 VanDerWaalsContact CD-CD 3.42Å; Q238-P270 HydrophobicContact CG-CG 4.37Å; P270-G272 PolarHBondContact O-N 2.93Å
271N95.9Very high95.9Very high8 Ų842.9 Ų42.94%0.04324%0.236CC..THydrogen-bonded Turntrans-75-7.9176.668-11.3000113.6V198 V203 K206 A215 W217 F269 F273V198-N271 HydrophobicContact CB-CB 4.14Å; V198-N271 HydrophobicContact CG2-CB 4.46Å; V203-N271 HydrophobicContact CG2-CB 4.01Å; K206-N271 WeakPolarHBondContact CB-O 3.32Å; A215-N271 HydrophobicContact CB-CB 4.31Å; W217-N271 HydrophobicContact CB-CB 4.27Å; W217-N271 WeakPolarHBondContact CB-O 3.4Å; W217-N271 HydrophobicContact CD2-CB 4Å; W217-N271 HydrophobicContact CG-CB 3.76Å; F269-N271 VanDerWaalsContact CB-OD1 3.29Å; F269-N271 WeakPolarHBondContact CB-OD1 3.45Å; F269-N271 PolarHBondContact O-N 2.9Å; F269-N271 VanDerWaalsContact O-N 3.07Å; N271-F273 WeakPolarHBondContact OD1-CB 3.21Å; N271-F273 PolarHBondContact OD1-N 3.05Å; N271-F273 VanDerWaalsContact OD1-N 3.08Å
272G96.3Very high95.9Very high1 Ų137.9 Ų37.91%0.0121%0.205CC..SBendtrans94.5-2.8-179.900000114.7F269 P270 N274F269-G272 WeakPolarHBondContact O-CA 3.47Å; F269-G272 PolarHBondContact O-N 2.76Å; P270-G272 PolarHBondContact O-N 2.93Å; G272-N274 PolarHBondContact O-N 3.16Å; G272-N274 PolarHBondContact O-ND2 2.91Å
273F96.8Very high95.8Very high34 Ų3437.6 Ų37.615%0.14921%0.205CC..  trans-63.2125.4170.5-176.5-99000108.5I195 E213 A215 E268 F269 N271 F275I195-F273 HydrophobicContact CB-CE1 4.33Å; I195-F273 HydrophobicContact CD1-CE1 3.71Å; I195-F273 HydrophobicContact CD1-CZ 4.44Å; I195-F273 HydrophobicContact CG1-CE1 3.67Å; I195-F273 HydrophobicContact CG1-CZ 4.11Å; I195-F273 HydrophobicContact CG2-CD1 3.68Å; I195-F273 HydrophobicContact CG2-CE1 3.69Å; E213-F273 WeakPolarHBondContact O-CD2 3.43Å; A215-F273 HydrophobicContact CB-CB 3.96Å; E268-F273 WeakPolarHBondContact CA-O 3.44Å; F269-F273 AromaticContact CD2-CD1 3.93Å; F269-F273 HydrophobicContact CD2-CD1 3.93Å; F269-F273 HydrophobicContact CE2-CD1 4.3Å; F269-F273 PolarHBondContact N-O 2.85Å; N271-F273 WeakPolarHBondContact OD1-CB 3.21Å; N271-F273 PolarHBondContact OD1-N 3.05Å; N271-F273 VanDerWaalsContact OD1-N 3.08Å; F273-F275 HydrophobicContact CD1-CD1 4.29Å; F273-F275 HydrophobicContact CE1-CB 4.22Å; F273-F275 AromaticContact CE1-CD1 3.91Å; F273-F275 HydrophobicContact CE1-CD1 3.91Å; F273-F275 HydrophobicContact CE1-CG 4.23Å
274N96.5Very high95.7Very high34 Ų3433.4 Ų33.418%0.18218%0.177CC..EExtended strand (participates in β ladder)trans-133.1147.7-178.764.889.2000111.2V209 E211 R212 Y267 E268 G272V209-N274 PolarHBondContact O-ND2 2.97Å; V209-N274 VanDerWaalsContact O-ND2 3.15Å; E211-N274 WeakPolarHBondContact CA-OD1 3.44Å; R212-N274 PolarHBondContact N-O 3.02Å; Y267-N274 VanDerWaalsContact O-CA 3.22Å; Y267-N274 WeakPolarHBondContact O-CA 3.43Å; E268-N274 HydrophobicContact CB-CB 3.92Å; E268-N274 HydrophobicContact CG-CB 4.02Å; G272-N274 PolarHBondContact O-N 3.16Å; G272-N274 PolarHBondContact O-ND2 2.91Å
275F96Very high95.7Very high7 Ų728 Ų283%0.03115%0.151CC..EExtended strand (participates in β ladder)trans-158.1157-178.271.1-64.8000110.4L193 I195 R212 F242 G266 Y267 F269 F273 L277L193-F275 HydrophobicContact CD1-CD2 4.49Å; L193-F275 HydrophobicContact CD1-CE2 3.56Å; L193-F275 HydrophobicContact CD1-CZ 4.1Å; I195-F275 HydrophobicContact CD1-CD1 4.14Å; I195-F275 HydrophobicContact CD1-CD2 4.15Å; I195-F275 HydrophobicContact CD1-CE1 3.89Å; I195-F275 HydrophobicContact CD1-CE2 3.83Å; I195-F275 HydrophobicContact CD1-CG 4.27Å; I195-F275 HydrophobicContact CD1-CZ 3.68Å; R212-F275 HydrophobicContact CG-CB 4.12Å; F242-F275 HydrophobicContact CE2-CE1 4.37Å; F242-F275 AromaticContact CE2-CZ 3.84Å; F242-F275 HydrophobicContact CE2-CZ 3.84Å; F242-F275 HydrophobicContact CZ-CZ 4.45Å; G266-F275 WeakPolarHBondContact CA-O 3.37Å; Y267-F275 HydrophobicContact CD1-CE1 4.32Å; Y267-F275 PolarHBondContact N-O 2.83Å; Y267-F275 PolarHBondContact O-N 3.04Å; Y267-F275 VanDerWaalsContact O-N 3.14Å; F269-F275 HydrophobicContact CD2-CE1 4.3Å; F269-F275 HydrophobicContact CE2-CD1 4.3Å; F269-F275 AromaticContact CE2-CE1 3.56Å; F269-F275 HydrophobicContact CE2-CE1 3.56Å; F269-F275 HydrophobicContact CE2-CZ 4.37Å; F269-F275 HydrophobicContact CZ-CE1 4.36Å; F273-F275 HydrophobicContact CD1-CD1 4.29Å; F273-F275 HydrophobicContact CE1-CB 4.22Å; F273-F275 AromaticContact CE1-CD1 3.91Å; F273-F275 HydrophobicContact CE1-CD1 3.91Å; F273-F275 HydrophobicContact CE1-CG 4.23Å; F275-L277 HydrophobicContact CD2-CD1 3.69Å; F275-L277 HydrophobicContact CD2-CG 4.27Å; F275-L277 HydrophobicContact CE1-CD1 4.06Å; F275-L277 HydrophobicContact CE2-CD1 3.07Å; F275-L277 HydrophobicContact CE2-CD2 4.34Å; F275-L277 HydrophobicContact CE2-CG 3.61Å; F275-L277 HydrophobicContact CG-CD1 4.44Å; F275-L277 HydrophobicContact CZ-CD1 3.31Å; F275-L277 HydrophobicContact CZ-CG 4.2Å
276E95.7Very high95.7Very high84 Ų8425.3 Ų25.339%0.39314%0.137SC..EExtended strand (participates in β ladder)trans-95139171.6-62.1-166.6152.500111.9E211 M264 I265E211-E276 HydrophobicContact CG-CG 4.49Å; E211-E276 PolarHBondContact OE1-N 2.8Å; E211-E276 VanDerWaalsContact OE1-N 3.13Å; M264-E276 HydrophobicContact CB-CB 3.84Å; M264-E276 HydrophobicContact SD-CB 4.18Å; I265-E276 WeakPolarHBondContact O-CA 3.45Å
277L94.8Very high95.5Very high2 Ų223 Ų231%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-105.5133.4170.9-79.289.7000111.7L188 F242 V246 M264 I265 F275 R281L188-L277 HydrophobicContact CD2-CD2 4.41Å; F242-L277 HydrophobicContact CE2-CD1 3.9Å; F242-L277 HydrophobicContact CE2-CD2 4.12Å; F242-L277 HydrophobicContact CZ-CD1 4.26Å; F242-L277 HydrophobicContact CZ-CD2 3.63Å; V246-L277 HydrophobicContact CG2-CD2 4.25Å; M264-L277 VanDerWaalsContact CA-O 3.26Å; M264-L277 WeakPolarHBondContact CA-O 3.45Å; M264-L277 WeakPolarHBondContact CB-O 3.24Å; I265-L277 PolarHBondContact N-O 3.11Å; I265-L277 PolarHBondContact O-N 3.23Å; F275-L277 HydrophobicContact CD2-CD1 3.69Å; F275-L277 HydrophobicContact CD2-CG 4.27Å; F275-L277 HydrophobicContact CE1-CD1 4.06Å; F275-L277 HydrophobicContact CE2-CD1 3.07Å; F275-L277 HydrophobicContact CE2-CD2 4.34Å; F275-L277 HydrophobicContact CE2-CG 3.61Å; F275-L277 HydrophobicContact CG-CD1 4.44Å; F275-L277 HydrophobicContact CZ-CD1 3.31Å; F275-L277 HydrophobicContact CZ-CG 4.2Å; L277-R281 HydrophobicContact CB-CB 4.5Å; L277-R281 HydrophobicContact CD2-CB 4.31Å; L277-R281 PolarHBondContact O-NH1 2.8Å
278G95Very high95.5Very high8 Ų822.3 Ų22.38%0.08211%0.11CC..  trans-98.9-11817300000111.3E280 R281G278-E280 PolarHBondContact N-OE2 3Å; G278-E280 VanDerWaalsContact N-OE2 3.09Å; G278-E280 PolarHBondContact O-N 3.2Å; G278-R281 WeakPolarHBondContact O-CG 3.45Å
279H95.2Very high95.4Very high35 Ų3518 Ų1816%0.1629%0.09CC..THydrogen-bonded Turntrans-67.3-20.7-174.669.679.8000114.2Y254 Q256 A259 D260 R281 F282 Q283Y254-H279 PolarHBondContact OH-ND1 3.2Å; Q256-H279 HydrophobicContact CG-CB 4.31Å; Q256-H279 PolarHBondContact NE2-CD2 3.11Å; Q256-H279 PolarHBondContact NE2-NE2 3.2Å; Q256-H279 VanDerWaalsContact NE2-NE2 3.18Å; A259-H279 HydrophobicContact CB-CB 3.65Å; D260-H279 IonicContact OD1-CD2 2.67Å; D260-H279 PolarHBondContact OD1-CD2 3.3Å; D260-H279 IonicContact OD1-CG 2.63Å; H279-R281 PolarHBondContact O-N 3.29Å; H279-F282 WeakPolarHBondContact O-CB 3.42Å; H279-F282 PolarHBondContact O-N 3.38Å; H279-Q283 PolarHBondContact ND1-OE1 2.78Å
280E93.4Very high95.3Very high41 Ų4119.7 Ų19.719%0.19210%0.099CC..Hα-helixtrans-62.2-32.2-174.3-55.891.3152.800111.9L188 G278 F282 Q283L188-E280 HydrophobicContact CD1-CB 4.1Å; L188-E280 HydrophobicContact CD1-CG 4.27Å; L188-E280 HydrophobicContact CD2-CB 3.94Å; G278-E280 PolarHBondContact N-OE2 3Å; G278-E280 VanDerWaalsContact N-OE2 3.09Å; G278-E280 PolarHBondContact O-N 3.2Å; E280-F282 PolarHBondContact O-N 3.42Å; E280-F282 VanDerWaalsContact O-N 3.13Å; E280-Q283 PolarHBondContact O-N 2.8Å; E280-Q283 VanDerWaalsContact O-N 3.13Å
281R95Very high95Very high2 Ų219 Ų191%0.0089%0.094CC..Hα-helixtrans-65.5-15.3178.180.6-166.8-177.1-131.96.4114.1V246 L247 Q248 P263 L277 G278 H279 P285V246-R281 HydrophobicContact CG2-CB 4.49Å; V246-R281 WeakPolarHBondContact O-CB 3.22Å; V246-R281 WeakPolarHBondContact O-CD 3.49Å; L247-R281 HydrophobicContact CD2-CB 4.4Å; L247-R281 WeakPolarHBondContact CD2-O 3.47Å; Q248-R281 PolarHBondContact N-O 2.86Å; P263-R281 VanDerWaalsContact O-CZ 3.25Å; P263-R281 PolarHBondContact O-NH1 3.43Å; P263-R281 PolarHBondContact O-NH2 3.41Å; L277-R281 HydrophobicContact CB-CB 4.5Å; L277-R281 HydrophobicContact CD2-CB 4.31Å; L277-R281 PolarHBondContact O-NH1 2.8Å; G278-R281 WeakPolarHBondContact O-CG 3.45Å; H279-R281 PolarHBondContact O-N 3.29Å; R281-P285 WeakPolarHBondContact O-CD 3.23Å
282F96.7Very high94.6Very high3 Ų322.4 Ų22.41%0.01312%0.119CC..Hα-helixtrans-93.6-24.8176.3-60.8-93.2000113.1Q248 Y254 A259 F262 H279 E280 P285 E286Q248-F282 HydrophobicContact CB-CD1 4.07Å; Q248-F282 HydrophobicContact CB-CE1 3.79Å; Q248-F282 HydrophobicContact CB-CZ 4.3Å; Q248-F282 HydrophobicContact CG-CD1 4.12Å; Q248-F282 HydrophobicContact CG-CE1 3.55Å; Q248-F282 HydrophobicContact CG-CZ 4.26Å; Q248-F282 VanDerWaalsContact O-CA 3.31Å; Q248-F282 WeakPolarHBondContact O-CA 3.48Å; Q248-F282 WeakPolarHBondContact O-CD1 3.23Å; Y254-F282 HydrophobicContact CD2-CB 3.83Å; Y254-F282 HydrophobicContact CE2-CB 3.94Å; A259-F282 HydrophobicContact CB-CD2 3.93Å; A259-F282 HydrophobicContact CB-CE2 4.28Å; A259-F282 HydrophobicContact CB-CG 4.33Å; F262-F282 HydrophobicContact CB-CE2 4.36Å; F262-F282 HydrophobicContact CB-CZ 4.06Å; F262-F282 HydrophobicContact CD1-CZ 4.25Å; F262-F282 AromaticContact CD2-CZ 3.97Å; F262-F282 HydrophobicContact CD2-CZ 3.97Å; F262-F282 AromaticContact CG-CZ 3.83Å; F262-F282 HydrophobicContact CG-CZ 3.83Å; H279-F282 WeakPolarHBondContact O-CB 3.42Å; H279-F282 PolarHBondContact O-N 3.38Å; E280-F282 PolarHBondContact O-N 3.42Å; E280-F282 VanDerWaalsContact O-N 3.13Å; F282-P285 WeakPolarHBondContact O-CD 3.39Å; F282-E286 PolarHBondContact O-N 2.87Å
283Q93.8Very high94Very high67 Ų6726.2 Ų26.231%0.31314%0.138SC..Hα-helixtrans-70.7-40.3-176.5-67.8178.8-69.300112.4Y254 H279 E280 E286Y254-Q283 HydrophobicContact CD1-CG 4.35Å; Y254-Q283 HydrophobicContact CD2-CG 4.24Å; Y254-Q283 HydrophobicContact CE1-CG 3.73Å; Y254-Q283 HydrophobicContact CE2-CG 3.61Å; Y254-Q283 WeakPolarHBondContact OH-CG 3.44Å; H279-Q283 PolarHBondContact ND1-OE1 2.78Å; E280-Q283 PolarHBondContact O-N 2.8Å; E280-Q283 VanDerWaalsContact O-N 3.13Å; Q283-E286 WeakPolarHBondContact O-CB 3.27Å; Q283-E286 PolarHBondContact O-N 2.73Å
284I93.7Very high93.2Very high13 Ų1325.4 Ų25.47%0.06714%0.135CC..Hα-helixtrans-61.3-54.4-178.4-66.5160.7000112.2I181 Q184 A185 L188 L247 E286 A287I181-I284 HydrophobicContact CD1-CG2 3.9Å; I181-I284 HydrophobicContact CG2-CG2 3.92Å; Q184-I284 HydrophobicContact CB-CG1 4.39Å; Q184-I284 HydrophobicContact CB-CG2 3.92Å; A185-I284 HydrophobicContact CB-CD1 3.93Å; L188-I284 HydrophobicContact CB-CD1 4.27Å; L188-I284 HydrophobicContact CD2-CD1 3.56Å; L188-I284 HydrophobicContact CD2-CG1 4.45Å; L247-I284 HydrophobicContact CD1-CB 4.09Å; L247-I284 HydrophobicContact CD1-CG2 3.65Å; L247-I284 HydrophobicContact CD2-CB 4.06Å; L247-I284 HydrophobicContact CD2-CD1 3.78Å; L247-I284 HydrophobicContact CD2-CG2 4.43Å; I284-E286 VanDerWaalsContact C-N 3.26Å; I284-E286 PolarHBondContact O-N 2.78Å; I284-A287 PolarHBondContact O-N 3.29Å
285P96.2Very high91.6Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-75.7-13.9-178.233.7-37.8000113L247 Q248 V249 R281 F282 A287 L288 I337L247-P285 HydrophobicContact CB-CG 4.41Å; Q248-P285 WeakPolarHBondContact O-CG 3.21Å; V249-P285 HydrophobicContact CG2-CB 3.75Å; V249-P285 HydrophobicContact CG2-CG 4.18Å; R281-P285 WeakPolarHBondContact O-CD 3.23Å; F282-P285 WeakPolarHBondContact O-CD 3.39Å; P285-A287 PolarHBondContact O-N 2.87Å; P285-L288 WeakPolarHBondContact O-CB 3.48Å; P285-L288 WeakPolarHBondContact O-CG 3.28Å; P285-L288 PolarHBondContact O-N 3.21Å; P285-I337 HydrophobicContact CB-CD1 4.39Å; P285-I337 HydrophobicContact CB-CG2 4.28Å
286E95.9Very high89.9Confident4 Ų439.6 Ų39.62%0.01921%0.205CC..Hα-helixtrans-56.6-35.7173.4-176.862.6-16500111.7Y254 F282 Q283 I284 L288 F289 D290 I293 R343Y254-E286 PolarHBondContact N-OE1 2.66Å; F282-E286 PolarHBondContact O-N 2.87Å; Q283-E286 WeakPolarHBondContact O-CB 3.27Å; Q283-E286 PolarHBondContact O-N 2.73Å; I284-E286 VanDerWaalsContact C-N 3.26Å; I284-E286 PolarHBondContact O-N 2.78Å; E286-L288 PolarHBondContact O-N 2.66Å; E286-F289 CarbonylContact O-C 3.53Å; E286-F289 WeakPolarHBondContact O-CA 3.39Å; E286-F289 PolarHBondContact O-N 3.34Å; E286-D290 HydrophobicContact CG-CB 4.4Å; E286-D290 PolarHBondContact O-N 3.46Å; E286-I293 HydrophobicContact CB-CD1 4.12Å; E286-I293 HydrophobicContact CG-CD1 4.07Å; E286-R343 IonicContact OE1-CZ 3.42Å; E286-R343 IonicContact OE1-NH1 2.88Å; E286-R343 PolarHBondContact OE1-NH1 2.81Å; E286-R343 IonicContact OE1-NH2 2.67Å; E286-R343 PolarHBondContact OE1-NH2 2.87Å; E286-R343 IonicContact OE2-CZ 3.88Å; E286-R343 IonicContact OE2-NH1 3.88Å; E286-R343 PolarHBondContact OE2-NH1 2.91Å; E286-R343 IonicContact OE2-NH2 3.26Å
287A92.9Very high87.9Confident2 Ų238.6 Ų38.62%0.01721%0.211CC..THydrogen-bonded Turntrans-57.6-22.6177.900000113.8F180 I284 P285 F289 I293 L294F180-A287 HydrophobicContact CE1-CB 3.65Å; F180-A287 HydrophobicContact CZ-CB 3.8Å; I284-A287 PolarHBondContact O-N 3.29Å; P285-A287 PolarHBondContact O-N 2.87Å; A287-F289 VanDerWaalsContact C-N 3.3Å; A287-I293 HydrophobicContact CB-CD1 4.07Å; A287-I293 HydrophobicContact CB-CG1 4.4Å; A287-L294 HydrophobicContact CB-CD1 4.21Å; A287-L294 HydrophobicContact CB-CD2 3.95Å; A287-L294 HydrophobicContact CB-CG 4.21Å
288L95.6Very high86Confident0 Ų040.5 Ų40.50%023%0.231CC..THydrogen-bonded Turntrans-69.7-29.3173.6-57.1179.8000111.9L176 I181 P285 E286 S304 M305 I337 F340L176-L288 HydrophobicContact CB-CD2 3.86Å; I181-L288 HydrophobicContact CD1-CD1 4.02Å; I181-L288 HydrophobicContact CD1-CD2 3.91Å; I181-L288 HydrophobicContact CD1-CG 3.86Å; I181-L288 HydrophobicContact CG1-CD1 4.3Å; I181-L288 HydrophobicContact CG1-CD2 4.09Å; I181-L288 HydrophobicContact CG1-CG 4.42Å; P285-L288 WeakPolarHBondContact O-CB 3.48Å; P285-L288 WeakPolarHBondContact O-CG 3.28Å; P285-L288 PolarHBondContact O-N 3.21Å; E286-L288 PolarHBondContact O-N 2.66Å; L288-S304 CarbonylContact O-C 3.58Å; L288-S304 VanDerWaalsContact O-CA 3.22Å; L288-S304 WeakPolarHBondContact O-CA 3.4Å; L288-S304 VanDerWaalsContact O-CB 3.3Å; L288-S304 WeakPolarHBondContact O-CB 3.5Å; L288-M305 HydrophobicContact CB-CE 4.36Å; L288-M305 HydrophobicContact CB-CG 3.92Å; L288-M305 HydrophobicContact CB-SD 4.46Å; L288-M305 HydrophobicContact CD2-CE 4.4Å; L288-M305 WeakPolarHBondContact O-CG 3.36Å; L288-M305 PolarHBondContact O-N 3.05Å; L288-I337 HydrophobicContact CD1-CD1 4.38Å; L288-F340 HydrophobicContact CD1-CD2 4.34Å; L288-F340 HydrophobicContact CD1-CE2 4.03Å
289F96.2Very high84.3Confident9 Ų940.3 Ų40.34%0.03923%0.229CC..THydrogen-bonded Turntrans-106.7-29.7-174.4-65.6-82.3000113.1V249 E286 A287 S304 M305 F340 R343 L344V249-F289 HydrophobicContact CB-CE2 4.4Å; V249-F289 HydrophobicContact CG1-CD2 3.85Å; V249-F289 HydrophobicContact CG1-CE2 3.55Å; V249-F289 HydrophobicContact CG1-CZ 4.28Å; V249-F289 HydrophobicContact CG2-CE2 3.86Å; E286-F289 CarbonylContact O-C 3.53Å; E286-F289 WeakPolarHBondContact O-CA 3.39Å; E286-F289 PolarHBondContact O-N 3.34Å; A287-F289 VanDerWaalsContact C-N 3.3Å; F289-S304 WeakPolarHBondContact O-CB 3.28Å; F289-S304 PolarHBondContact O-OG 3.3Å; F289-M305 HydrophobicContact CD1-CB 4.29Å; F289-M305 HydrophobicContact CE1-CB 3.96Å; F289-M305 HydrophobicContact CE1-CG 4.2Å; F289-M305 HydrophobicContact CZ-CB 4.48Å; F289-M305 HydrophobicContact CZ-CG 4.28Å; F289-F340 HydrophobicContact CE2-CD2 4.02Å; F289-F340 HydrophobicContact CE2-CE2 4.26Å; F289-F340 AromaticContact CZ-CD2 3.87Å; F289-F340 HydrophobicContact CZ-CD2 3.87Å; F289-F340 AromaticContact CZ-CE2 3.97Å; F289-F340 HydrophobicContact CZ-CE2 3.97Å; F289-F340 HydrophobicContact CZ-CG 4.19Å; F289-F340 HydrophobicContact CZ-CZ 4.38Å; F289-F340 WeakPolarHBondContact CZ-O 3.29Å; F289-R343 HydrophobicContact CB-CG 4.29Å; F289-R343 VanDerWaalsContact CB-CZ 3.49Å; F289-R343 VanDerWaalsContact CB-NH2 3.29Å; F289-R343 HydrophobicContact CD1-CB 4.48Å; F289-R343 HydrophobicContact CD1-CG 3.5Å; F289-R343 VanDerWaalsContact CD1-CG 3.5Å; F289-R343 HydrophobicContact CD2-CG 3.85Å; F289-R343 HydrophobicContact CE1-CB 4.17Å; F289-R343 HydrophobicContact CE1-CG 3.67Å; F289-R343 HydrophobicContact CE2-CB 4.42Å; F289-R343 HydrophobicContact CE2-CG 4.01Å; F289-R343 HydrophobicContact CG-CG 3.59Å; F289-R343 HydrophobicContact CZ-CB 4.13Å; F289-R343 HydrophobicContact CZ-CG 3.92Å; F289-L344 HydrophobicContact CE1-CB 3.94Å; F289-L344 HydrophobicContact CE1-CD1 4.26Å; F289-L344 HydrophobicContact CZ-CB 4.41Å
290D93Very high82.5Confident34 Ų3444.7 Ų44.718%0.18226%0.264CS..  trans-131.984.1171.9-168.3-1.8000111.8E286 S292 I293E286-D290 HydrophobicContact CG-CB 4.4Å; E286-D290 PolarHBondContact O-N 3.46Å; D290-S292 PolarHBondContact O-N 3.25Å; D290-S292 VanDerWaalsContact O-N 3.12Å; D290-S292 VanDerWaalsContact OD1-CB 3.28Å; D290-S292 WeakPolarHBondContact OD1-CB 3.15Å; D290-S292 PolarHBondContact OD1-N 2.84Å; D290-S292 PolarHBondContact OD1-OG 3.18Å; D290-S292 PolarHBondContact OD2-OG 3.46Å; D290-I293 WeakPolarHBondContact O-CG1 3.05Å
291P91.1Very high81.6Confident10 Ų1047.4 Ų47.47%0.06529%0.287CS..G310 helixtrans-66.2-10.5178.4-20.332.7000114.1L176 I293 L294 M302L176-P291 HydrophobicContact CD1-CB 3.97Å; L176-P291 HydrophobicContact CD1-CG 3.51Å; P291-I293 PolarHBondContact O-N 3.47Å; P291-L294 WeakPolarHBondContact O-CB 3.22Å; P291-L294 PolarHBondContact O-N 3.42Å; P291-M302 HydrophobicContact CB-CB 4.01Å; P291-M302 HydrophobicContact CG-CB 4.47Å
292S86.2Confident81.1Confident80 Ų8049 Ų4956%0.55930%0.295SS*.G310 helixtrans-66.1-20-178.374.40000113D290 L294D290-S292 PolarHBondContact O-N 3.25Å; D290-S292 VanDerWaalsContact O-N 3.12Å; D290-S292 VanDerWaalsContact OD1-CB 3.28Å; D290-S292 WeakPolarHBondContact OD1-CB 3.15Å; D290-S292 PolarHBondContact OD1-N 2.84Å; D290-S292 PolarHBondContact OD1-OG 3.18Å; D290-S292 PolarHBondContact OD2-OG 3.46Å; S292-L294 PolarHBondContact O-N 2.9Å
293I84.3Confident80.9Confident82 Ų8252 Ų5242%0.42131%0.311SS..G310 helixtrans-69.4-16.7174.774.6-177.2000112.6E286 A287 D290 P291 L295E286-I293 HydrophobicContact CB-CD1 4.12Å; E286-I293 HydrophobicContact CG-CD1 4.07Å; A287-I293 HydrophobicContact CB-CD1 4.07Å; A287-I293 HydrophobicContact CB-CG1 4.4Å; D290-I293 WeakPolarHBondContact O-CG1 3.05Å; P291-I293 PolarHBondContact O-N 3.47Å; I293-L295 VanDerWaalsContact C-N 3.32Å; I293-L295 PolarHBondContact O-N 3.14Å
294L80.3Confident80.9Confident16 Ų1648.9 Ų48.98%0.08430%0.297CS..  trans-83.375.9178.9-54.2174.8000110.1L176 F180 A287 P291 S292 E296 A297 M302L176-L294 HydrophobicContact CD2-CD1 3.94Å; F180-L294 HydrophobicContact CE1-CD1 4.42Å; F180-L294 HydrophobicContact CE2-CD1 3.72Å; F180-L294 HydrophobicContact CE2-CD2 4.22Å; F180-L294 HydrophobicContact CZ-CD1 3.41Å; F180-L294 VanDerWaalsContact CZ-CD1 3.41Å; F180-L294 HydrophobicContact CZ-CD2 3.69Å; F180-L294 HydrophobicContact CZ-CG 4.17Å; A287-L294 HydrophobicContact CB-CD1 4.21Å; A287-L294 HydrophobicContact CB-CD2 3.95Å; A287-L294 HydrophobicContact CB-CG 4.21Å; P291-L294 WeakPolarHBondContact O-CB 3.22Å; P291-L294 PolarHBondContact O-N 3.42Å; S292-L294 PolarHBondContact O-N 2.9Å; L294-E296 PolarHBondContact O-N 3.02Å; L294-A297 HydrophobicContact CB-CB 4.48Å; L294-M302 HydrophobicContact CD1-SD 4.2Å
295L61.9Low81.1Confident165 Ų16548.2 Ų48.286%0.86429%0.293SS*.THydrogen-bonded Turntrans-57.9-31.3-179.2-65.6172.2000113.2I293I293-L295 VanDerWaalsContact C-N 3.32Å; I293-L295 PolarHBondContact O-N 3.14Å
296E60.1Low81.1Confident174 Ų17448.3 Ų48.381%0.81329%0.294SS*.THydrogen-bonded Turntrans-103.7-15.9-166.8-62.3-176.3160.900115L294L294-E296 PolarHBondContact O-N 3.02Å
297A55.4Low81.2Confident64 Ų6451.9 Ų51.953%0.52931%0.311SS..THydrogen-bonded Turntrans-104.614.7-168.100000114.9L294 G299L294-A297 HydrophobicContact CB-CB 4.48Å; A297-G299 VanDerWaalsContact C-N 3.31Å
298G54.8Low81.4Confident41 Ų4151.8 Ų51.842%0.42331%0.31SS..THydrogen-bonded Turntrans71.128.1-170.800000113S300 S301G298-S300 PolarHBondContact O-N 2.94Å; G298-S301 PolarHBondContact O-N 3.1Å; G298-S301 PolarHBondContact O-OG 3Å
299G57.8Low81.5Confident4 Ų451.8 Ų51.84%0.04131%0.31CS..G310 helixtrans-55.4-25-175.900000114.4A297 S301 M302A297-G299 VanDerWaalsContact C-N 3.31Å; G299-S301 PolarHBondContact O-N 3.35Å; G299-S301 VanDerWaalsContact O-N 3.16Å; G299-M302 PolarHBondContact O-N 3.28Å
300S57.9Low81.6Confident128 Ų12852.1 Ų52.190%0.89531%0.314SS*.G310 helixtrans-61.6-20.9175.756.20000114.7G298G298-S300 PolarHBondContact O-N 2.94Å
301S74.5Confident81.8Confident98 Ų9852.2 Ų52.269%0.68532%0.317SS*.G310 helixtrans-96.2-11.3176.167.40000113.8G298 G299G298-S301 PolarHBondContact O-N 3.1Å; G298-S301 PolarHBondContact O-OG 3Å; G299-S301 PolarHBondContact O-N 3.35Å; G299-S301 VanDerWaalsContact O-N 3.16Å
302M85Confident82.1Confident35 Ų3551.7 Ų51.717%0.17231%0.314CS..PPolyproline II helixtrans-85.9134.5-175.5-59.9-177.3103.700110.3P175 L176 P291 L294 G299P175-M302 HydrophobicContact CB-CE 3.66Å; P175-M302 HydrophobicContact CG-CE 3.54Å; L176-M302 HydrophobicContact CD1-CB 4.04Å; L176-M302 HydrophobicContact CD2-CE 3.56Å; L176-M302 HydrophobicContact CD2-SD 3.73Å; L176-M302 HydrophobicContact CG-CB 4.4Å; L176-M302 HydrophobicContact CG-CE 3.74Å; L176-M302 HydrophobicContact CG-SD 4.13Å; P291-M302 HydrophobicContact CB-CB 4.01Å; P291-M302 HydrophobicContact CG-CB 4.47Å; L294-M302 HydrophobicContact CD1-SD 4.2Å; G299-M302 PolarHBondContact O-N 3.28Å
303L91.6Very high82.7Confident66 Ų6647.9 Ų47.935%0.34629%0.287SS..PPolyproline II helixtrans-92.1133.2176.4-63.3179.7000110I172 S174 H307 I308I172-L303 HydrophobicContact CG2-CD1 4.07Å; S174-L303 PolarHBondContact OG-O 2.88Å; L303-H307 HydrophobicContact CB-CB 4.05Å; L303-H307 HydrophobicContact CD2-CB 4.16Å; L303-I308 HydrophobicContact CB-CG2 3.43Å; L303-I308 VanDerWaalsContact CB-CG2 3.43Å; L303-I308 HydrophobicContact CD1-CG2 4.16Å; L303-I308 HydrophobicContact CG-CG2 4.45Å
304S95Very high83.3Confident1 Ų146.9 Ų46.91%0.00729%0.288CS..PPolyproline II helixtrans-69.3166.3173.188.30000112.2L288 F289 S306 H307 I308L288-S304 CarbonylContact O-C 3.58Å; L288-S304 VanDerWaalsContact O-CA 3.22Å; L288-S304 WeakPolarHBondContact O-CA 3.4Å; L288-S304 VanDerWaalsContact O-CB 3.3Å; L288-S304 WeakPolarHBondContact O-CB 3.5Å; F289-S304 WeakPolarHBondContact O-CB 3.28Å; F289-S304 PolarHBondContact O-OG 3.3Å; S304-S306 VanDerWaalsContact C-N 3.26Å; S304-S306 PolarHBondContact O-N 3.36Å; S304-S306 PolarHBondContact OG-OG 2.97Å; S304-H307 WeakPolarHBondContact O-CA 3.38Å; S304-H307 PolarHBondContact O-N 3.49Å; S304-H307 PolarHBondContact OG-ND1 3.16Å; S304-I308 PolarHBondContact O-N 3.41Å
305M97.3Very high84.2Confident0 Ų050.7 Ų50.70%031%0.307CS..Hα-helixtrans-54.8-41.2-178-58.2-56.19600112.5T156 L176 L288 F289 I308 V309 F340 L344T156-M305 HydrophobicContact CG2-CE 4.28Å; T156-M305 HydrophobicContact CG2-SD 3.6Å; T156-M305 VanDerWaalsContact CG2-SD 3.6Å; L176-M305 HydrophobicContact CB-CE 3.81Å; L288-M305 HydrophobicContact CB-CE 4.36Å; L288-M305 HydrophobicContact CB-CG 3.92Å; L288-M305 HydrophobicContact CB-SD 4.46Å; L288-M305 HydrophobicContact CD2-CE 4.4Å; L288-M305 WeakPolarHBondContact O-CG 3.36Å; L288-M305 PolarHBondContact O-N 3.05Å; F289-M305 HydrophobicContact CD1-CB 4.29Å; F289-M305 HydrophobicContact CE1-CB 3.96Å; F289-M305 HydrophobicContact CE1-CG 4.2Å; F289-M305 HydrophobicContact CZ-CB 4.48Å; F289-M305 HydrophobicContact CZ-CG 4.28Å; M305-I308 HydrophobicContact CE-CD1 4.3Å; M305-I308 WeakPolarHBondContact O-CG1 3.38Å; M305-I308 HydrophobicContact SD-CD1 4.36Å; M305-V309 WeakPolarHBondContact O-CG2 3.48Å; M305-V309 PolarHBondContact O-N 2.97Å; M305-F340 HydrophobicContact CG-CE2 4.03Å; M305-F340 HydrophobicContact CG-CZ 3.93Å; M305-F340 HydrophobicContact SD-CE2 4.41Å; M305-F340 HydrophobicContact SD-CZ 4.22Å; M305-L344 HydrophobicContact CB-CD1 3.88Å
306S96.9Very high85.9Confident2 Ų242.9 Ų42.91%0.01427%0.267CS..Hα-helixtrans-72.8-32.7177.962.40000112.4S304 A310 L348 K351S304-S306 VanDerWaalsContact C-N 3.26Å; S304-S306 PolarHBondContact O-N 3.36Å; S304-S306 PolarHBondContact OG-OG 2.97Å; S306-A310 WeakPolarHBondContact O-CB 3.31Å; S306-A310 PolarHBondContact O-N 2.73Å; S306-L348 WeakPolarHBondContact O-CD2 3.45Å; S306-K351 WeakPolarHBondContact OG-CE 3.38Å
307H96.4Very high87.7Confident79 Ų7940.5 Ų40.537%0.36626%0.26SS..Hα-helixtrans-71.3-40.1176.4-72.193.7000112.5L303 S304 V309 A310 S311 K351L303-H307 HydrophobicContact CB-CB 4.05Å; L303-H307 HydrophobicContact CD2-CB 4.16Å; S304-H307 WeakPolarHBondContact O-CA 3.38Å; S304-H307 PolarHBondContact O-N 3.49Å; S304-H307 PolarHBondContact OG-ND1 3.16Å; H307-V309 VanDerWaalsContact C-N 3.34Å; H307-V309 PolarHBondContact O-N 2.85Å; H307-A310 PolarHBondContact O-N 2.55Å; H307-S311 WeakPolarHBondContact O-CB 3.43Å; H307-S311 PolarHBondContact O-N 3.18Å; H307-S311 PolarHBondContact O-OG 2.57Å; H307-K351 PolarHBondContact CD2-NZ 3.36Å; H307-K351 VanDerWaalsContact CD2-NZ 3.27Å; H307-K351 PolarHBondContact CE1-NZ 3.1Å; H307-K351 PolarHBondContact NE2-NZ 3.33Å
308I97.3Very high89.6Confident0 Ų042.8 Ų42.80%026%0.262CS..Hα-helixtrans-64.2-40.8178.158.3175.8000111.7L149 T156 A158 I172 L303 S304 M305 S312L149-I308 HydrophobicContact CD1-CD1 3.56Å; L149-I308 HydrophobicContact CD1-CG1 4.07Å; T156-I308 HydrophobicContact CG2-CD1 3.5Å; T156-I308 VanDerWaalsContact CG2-CD1 3.5Å; A158-I308 HydrophobicContact CB-CB 4.25Å; A158-I308 HydrophobicContact CB-CG1 4.25Å; I172-I308 HydrophobicContact CB-CB 4.37Å; I172-I308 HydrophobicContact CG2-CB 3.78Å; I172-I308 HydrophobicContact CG2-CG2 3.65Å; L303-I308 HydrophobicContact CB-CG2 3.43Å; L303-I308 VanDerWaalsContact CB-CG2 3.43Å; L303-I308 HydrophobicContact CD1-CG2 4.16Å; L303-I308 HydrophobicContact CG-CG2 4.45Å; S304-I308 PolarHBondContact O-N 3.41Å; M305-I308 HydrophobicContact CE-CD1 4.3Å; M305-I308 WeakPolarHBondContact O-CG1 3.38Å; M305-I308 HydrophobicContact SD-CD1 4.36Å; I308-S312 VanDerWaalsContact O-CB 3.26Å; I308-S312 WeakPolarHBondContact O-CB 3.46Å; I308-S312 PolarHBondContact O-N 3.27Å
309V98.4Very high91.6Very high0 Ų047.6 Ų47.60%028%0.278CS..Hα-helixtrans-63.1-53.1174.9168.70000110.7L147 L149 A158 M305 H307 S311 S312 I313 V328 L348L147-V309 HydrophobicContact CD1-CG1 4.37Å; L147-V309 HydrophobicContact CD2-CB 4.22Å; L147-V309 HydrophobicContact CD2-CG1 3.9Å; L147-V309 HydrophobicContact CD2-CG2 3.8Å; L149-V309 HydrophobicContact CB-CG2 4.21Å; L149-V309 HydrophobicContact CD1-CG2 3.88Å; L149-V309 HydrophobicContact CD2-CG2 4.03Å; L149-V309 HydrophobicContact CG-CG2 4.27Å; A158-V309 HydrophobicContact CB-CG2 4.41Å; M305-V309 WeakPolarHBondContact O-CG2 3.48Å; M305-V309 PolarHBondContact O-N 2.97Å; H307-V309 VanDerWaalsContact C-N 3.34Å; H307-V309 PolarHBondContact O-N 2.85Å; V309-S311 VanDerWaalsContact C-N 3.31Å; V309-S311 PolarHBondContact O-N 3.48Å; V309-S312 PolarHBondContact O-N 2.98Å; V309-I313 HydrophobicContact CG1-CD1 4.04Å; V309-I313 WeakPolarHBondContact O-CG1 3.47Å; V309-I313 PolarHBondContact O-N 3.21Å; V309-V328 HydrophobicContact CG1-CG1 4.43Å; V309-V328 HydrophobicContact CG1-CG2 4.25Å; V309-L348 HydrophobicContact CB-CD1 4.5Å; V309-L348 HydrophobicContact CB-CD2 3.86Å; V309-L348 HydrophobicContact CG1-CD1 3.96Å; V309-L348 HydrophobicContact CG1-CD2 3.62Å; V309-L348 HydrophobicContact CG1-CG 4.47Å
310A97.8Very high93.5Very high15 Ų1548.2 Ų48.212%0.12428%0.28CS..Hα-helixtrans-62.9-38.3-178.600000112.2S306 H307 S314 K351S306-A310 WeakPolarHBondContact O-CB 3.31Å; S306-A310 PolarHBondContact O-N 2.73Å; H307-A310 PolarHBondContact O-N 2.55Å; A310-S314 VanDerWaalsContact O-CB 3.3Å; A310-S314 WeakPolarHBondContact O-CB 3.43Å; A310-S314 PolarHBondContact O-N 3.09Å; A310-K351 HydrophobicContact CB-CB 4.25Å; A310-K351 HydrophobicContact CB-CD 4.04Å
311S97.6Very high95.4Very high36 Ų3645.5 Ų45.525%0.25225%0.25SS..Hα-helixtrans-66.5-46.6178.1-56.80000111H307 V309 I313 S314 L315H307-S311 WeakPolarHBondContact O-CB 3.43Å; H307-S311 PolarHBondContact O-N 3.18Å; H307-S311 PolarHBondContact O-OG 2.57Å; V309-S311 VanDerWaalsContact C-N 3.31Å; V309-S311 PolarHBondContact O-N 3.48Å; S311-I313 PolarHBondContact O-N 2.76Å; S311-S314 WeakPolarHBondContact CA-OG 3.39Å; S311-S314 PolarHBondContact O-N 3.02Å; S311-S314 VanDerWaalsContact O-N 3.09Å; S311-S314 PolarHBondContact O-OG 3.39Å; S311-L315 WeakPolarHBondContact O-CG 3.29Å; S311-L315 PolarHBondContact O-N 3.34Å; S311-L315 VanDerWaalsContact O-N 3.08Å
312S98.3Very high96.5Very high0 Ų043.3 Ų43.30%023%0.234CC..Hα-helixtrans-58-46.4176.6177.70000111.9P160 E170 I308 V309 S314 L315 C316P160-S312 WeakPolarHBondContact CD-OG 3.43Å; P160-S312 WeakPolarHBondContact CG-OG 3.26Å; E170-S312 WeakPolarHBondContact O-CB 3.46Å; E170-S312 PolarHBondContact O-OG 3.05Å; I308-S312 VanDerWaalsContact O-CB 3.26Å; I308-S312 WeakPolarHBondContact O-CB 3.46Å; I308-S312 PolarHBondContact O-N 3.27Å; V309-S312 PolarHBondContact O-N 2.98Å; S312-S314 VanDerWaalsContact C-N 3.31Å; S312-S314 PolarHBondContact O-N 3.08Å; S312-L315 PolarHBondContact O-N 3.03Å; S312-C316 PolarHBondContact O-N 3.23Å; S312-C316 PolarHBondContact O-SG 2.95Å
313I98.4Very high97.1Very high0 Ų043.9 Ų43.90%024%0.241CC..Hα-helixtrans-65.7-35175.8-61.7172.5000111.5L147 V309 S311 L315 C316 R321 L324 Y325L147-I313 HydrophobicContact CD1-CD1 4.03Å; L147-I313 HydrophobicContact CD1-CG1 3.49Å; L147-I313 VanDerWaalsContact CD1-CG1 3.49Å; V309-I313 HydrophobicContact CG1-CD1 4.04Å; V309-I313 WeakPolarHBondContact O-CG1 3.47Å; V309-I313 PolarHBondContact O-N 3.21Å; S311-I313 PolarHBondContact O-N 2.76Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 3.39Å; I313-C316 WeakPolarHBondContact O-CB 3.31Å; I313-C316 PolarHBondContact O-N 2.94Å; I313-R321 HydrophobicContact CG2-CB 3.61Å; I313-R321 HydrophobicContact CG2-CG 3.76Å; I313-R321 WeakPolarHBondContact O-CD 3.27Å; I313-R321 WeakPolarHBondContact O-CG 3.43Å; I313-R321 PolarHBondContact O-NE 3.32Å; I313-L324 HydrophobicContact CD1-CB 4.06Å; I313-L324 HydrophobicContact CG1-CB 3.97Å; I313-L324 HydrophobicContact CG1-CD1 4.28Å; I313-L324 HydrophobicContact CG2-CB 4.31Å; I313-L324 HydrophobicContact CG2-CD1 4.31Å; I313-Y325 HydrophobicContact CB-CE2 4.19Å; I313-Y325 HydrophobicContact CD1-CD1 3.61Å; I313-Y325 HydrophobicContact CD1-CD2 4.15Å; I313-Y325 HydrophobicContact CD1-CE1 3.65Å; I313-Y325 HydrophobicContact CD1-CE2 4.2Å; I313-Y325 HydrophobicContact CD1-CG 3.87Å; I313-Y325 HydrophobicContact CG2-CD2 3.76Å; I313-Y325 HydrophobicContact CG2-CE2 3.43Å; I313-Y325 VanDerWaalsContact CG2-CE2 3.43Å
314S97.3Very high97.4Very high61 Ų6140.8 Ų40.843%0.42723%0.225SC..Hα-helixtrans-68.3-26179.377.50000113.9A310 S311 S312 R321A310-S314 VanDerWaalsContact O-CB 3.3Å; A310-S314 WeakPolarHBondContact O-CB 3.43Å; A310-S314 PolarHBondContact O-N 3.09Å; S311-S314 WeakPolarHBondContact CA-OG 3.39Å; S311-S314 PolarHBondContact O-N 3.02Å; S311-S314 VanDerWaalsContact O-N 3.09Å; S311-S314 PolarHBondContact O-OG 3.39Å; S312-S314 VanDerWaalsContact C-N 3.31Å; S312-S314 PolarHBondContact O-N 3.08Å; S314-R321 PolarHBondContact O-NH2 2.88Å
315L97.9Very high97.6Very high95 Ų9541.3 Ų41.350%0.49723%0.227SC..Hα-helixtrans-76.8-24.7174.5-66.9174.7000112.2E170 I172 S311 S312 I313E170-L315 HydrophobicContact CB-CB 4.09Å; E170-L315 HydrophobicContact CG-CB 3.75Å; I172-L315 HydrophobicContact CD1-CD1 3.78Å; I172-L315 HydrophobicContact CG1-CD1 4.38Å; S311-L315 WeakPolarHBondContact O-CG 3.29Å; S311-L315 PolarHBondContact O-N 3.34Å; S311-L315 VanDerWaalsContact O-N 3.08Å; S312-L315 PolarHBondContact O-N 3.03Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 3.39Å
316C98Very high97.6Very high2 Ų242.9 Ų42.91%0.01424%0.238CC..SBendtrans-70.2159.2176.7-62.70000112.3S312 I313 I320 R321 L324S312-C316 PolarHBondContact O-N 3.23Å; S312-C316 PolarHBondContact O-SG 2.95Å; I313-C316 WeakPolarHBondContact O-CB 3.31Å; I313-C316 PolarHBondContact O-N 2.94Å; C316-I320 HydrophobicContact CB-CD1 3.92Å; C316-I320 HydrophobicContact CB-CG1 4.01Å; C316-R321 PolarHBondContact O-NE 3Å; C316-R321 PolarHBondContact O-NH2 3.27Å; C316-L324 HydrophobicContact CB-CD1 3.9Å; C316-L324 VanDerWaalsContact SG-CD1 3.55Å
317D97.2Very high97.6Very high124 Ų12443.9 Ų43.966%0.66324%0.243SC*.  trans-58142.4172.9-75.1-35.6000112.5D319 I320 R321D317-D319 PolarHBondContact O-N 3.48Å; D317-D319 VanDerWaalsContact O-N 3.14Å; D317-I320 HydrophobicContact CB-CG1 4.4Å; D317-I320 VanDerWaalsContact O-CG1 3.26Å; D317-I320 WeakPolarHBondContact O-CG1 3.42Å; D317-I320 PolarHBondContact O-N 3.37Å; D317-I320 VanDerWaalsContact O-N 3.17Å; D317-R321 VanDerWaalsContact O-CG 3.28Å; D317-R321 WeakPolarHBondContact O-CG 3.25Å; D317-R321 PolarHBondContact O-N 2.75Å
318I96.4Very high97.7Very high112 Ų11240.1 Ų40.157%0.57423%0.225SC*.THydrogen-bonded Turntrans-57.8-33-172.9-167.2164.8000113.4I320 P322I318-I320 VanDerWaalsContact C-N 3.33Å; I318-I320 PolarHBondContact O-N 2.73Å; I318-P322 WeakPolarHBondContact O-CD 3.29Å
319D97Very high97.8Very high142 Ų14240.1 Ų40.176%0.75923%0.226SC*.THydrogen-bonded Turntrans-70.6-27.5-176.1-64.5-28.3000113D317D317-D319 PolarHBondContact O-N 3.48Å; D317-D319 VanDerWaalsContact O-N 3.14Å
320I97.5Very high97.8Very high17 Ų1740.1 Ų40.19%0.08723%0.226CC..THydrogen-bonded Turntrans-94.6-18.2-177.769.2166.2000113Y162 L167 C316 D317 I318 P322 S323 L324Y162-I320 HydrophobicContact CD1-CG2 4.37Å; Y162-I320 HydrophobicContact CD2-CB 3.75Å; Y162-I320 HydrophobicContact CD2-CD1 4.23Å; Y162-I320 HydrophobicContact CD2-CG2 3.66Å; Y162-I320 HydrophobicContact CE1-CG2 4.06Å; Y162-I320 HydrophobicContact CE2-CB 3.72Å; Y162-I320 HydrophobicContact CE2-CG2 3.29Å; Y162-I320 HydrophobicContact CG-CB 4.49Å; Y162-I320 HydrophobicContact CG-CD1 4.25Å; Y162-I320 HydrophobicContact CG-CG2 4.19Å; L167-I320 HydrophobicContact CD1-CD1 3.44Å; L167-I320 VanDerWaalsContact CD1-CD1 3.44Å; C316-I320 HydrophobicContact CB-CD1 3.92Å; C316-I320 HydrophobicContact CB-CG1 4.01Å; D317-I320 HydrophobicContact CB-CG1 4.4Å; D317-I320 VanDerWaalsContact O-CG1 3.26Å; D317-I320 WeakPolarHBondContact O-CG1 3.42Å; D317-I320 PolarHBondContact O-N 3.37Å; D317-I320 VanDerWaalsContact O-N 3.17Å; I318-I320 VanDerWaalsContact C-N 3.33Å; I318-I320 PolarHBondContact O-N 2.73Å; I320-P322 VanDerWaalsContact C-CD 3.45Å; I320-S323 WeakPolarHBondContact O-CB 3.34Å; I320-S323 PolarHBondContact O-N 2.86Å; I320-L324 HydrophobicContact CD1-CD1 4.22Å; I320-L324 HydrophobicContact CG1-CD1 4.26Å; I320-L324 PolarHBondContact O-N 3.09Å; I320-L324 VanDerWaalsContact O-N 3.11Å
321R98.1Very high97.8Very high70 Ų7039.6 Ų39.626%0.26422%0.221SC..Hα-helixtrans-54.3-42-178.8-54.4-174.4-169.9172.5-0.6114I313 S314 C316 D317 S323 L324 Y325 M356I313-R321 HydrophobicContact CG2-CB 3.61Å; I313-R321 HydrophobicContact CG2-CG 3.76Å; I313-R321 WeakPolarHBondContact O-CD 3.27Å; I313-R321 WeakPolarHBondContact O-CG 3.43Å; I313-R321 PolarHBondContact O-NE 3.32Å; S314-R321 PolarHBondContact O-NH2 2.88Å; C316-R321 PolarHBondContact O-NE 3Å; C316-R321 PolarHBondContact O-NH2 3.27Å; D317-R321 VanDerWaalsContact O-CG 3.28Å; D317-R321 WeakPolarHBondContact O-CG 3.25Å; D317-R321 PolarHBondContact O-N 2.75Å; R321-S323 VanDerWaalsContact C-N 3.28Å; R321-S323 PolarHBondContact O-N 3.42Å; R321-L324 PolarHBondContact O-N 2.78Å; R321-Y325 WeakPolarHBondContact O-CD2 3.33Å; R321-Y325 PolarHBondContact O-N 3.28Å; R321-M356 HydrophobicContact CB-CE 3.81Å; R321-M356 HydrophobicContact CB-SD 4Å
322P97.7Very high97.8Very high52 Ų5238.1 Ų38.134%0.33821%0.211SC..Hα-helixtrans-59.2-38.6176.3-23.334000112.8I318 I320 S326 M356I318-P322 WeakPolarHBondContact O-CD 3.29Å; I320-P322 VanDerWaalsContact C-CD 3.45Å; P322-S326 VanDerWaalsContact O-CB 3.31Å; P322-S326 WeakPolarHBondContact O-CB 3.43Å; P322-S326 PolarHBondContact O-N 3.04Å; P322-S326 PolarHBondContact O-OG 3.01Å; P322-M356 HydrophobicContact CB-CG 4.39Å; P322-M356 HydrophobicContact CG-CE 4.11Å; P322-M356 HydrophobicContact CG-CG 4.19Å; P322-M356 HydrophobicContact CG-SD 4.35Å
323S97.4Very high97.6Very high48 Ų4839.8 Ų39.834%0.33623%0.228SC..Hα-helixtrans-69.1-35.4177.9-59.60000112.1I320 R321 S326 N327I320-S323 WeakPolarHBondContact O-CB 3.34Å; I320-S323 PolarHBondContact O-N 2.86Å; R321-S323 VanDerWaalsContact C-N 3.28Å; R321-S323 PolarHBondContact O-N 3.42Å; S323-S326 WeakPolarHBondContact CA-OG 3.38Å; S323-S326 PolarHBondContact O-OG 3.38Å; S323-S326 VanDerWaalsContact O-OG 3.13Å; S323-N327 PolarHBondContact O-N 2.93Å; S323-N327 PolarHBondContact O-ND2 3.04Å; S323-N327 VanDerWaalsContact O-ND2 3.08Å
324L98.3Very high97.5Very high0 Ų040.9 Ų40.90%023%0.234CC..Hα-helixtrans-69.9-48.5175.5-61.9176.4000111.7T145 G146 P160 I313 C316 I320 R321 S326 N327 V328T145-L324 HydrophobicContact CG2-CD2 4.36Å; G146-L324 WeakPolarHBondContact O-CD2 3.34Å; P160-L324 HydrophobicContact CB-CD1 3.96Å; P160-L324 HydrophobicContact CB-CD2 4.06Å; I313-L324 HydrophobicContact CD1-CB 4.06Å; I313-L324 HydrophobicContact CG1-CB 3.97Å; I313-L324 HydrophobicContact CG1-CD1 4.28Å; I313-L324 HydrophobicContact CG2-CB 4.31Å; I313-L324 HydrophobicContact CG2-CD1 4.31Å; C316-L324 HydrophobicContact CB-CD1 3.9Å; C316-L324 VanDerWaalsContact SG-CD1 3.55Å; I320-L324 HydrophobicContact CD1-CD1 4.22Å; I320-L324 HydrophobicContact CG1-CD1 4.26Å; I320-L324 PolarHBondContact O-N 3.09Å; I320-L324 VanDerWaalsContact O-N 3.11Å; R321-L324 PolarHBondContact O-N 2.78Å; L324-S326 VanDerWaalsContact C-N 3.3Å; L324-S326 PolarHBondContact O-N 2.97Å; L324-N327 CarbonylContact O-C 3.59Å; L324-N327 VanDerWaalsContact O-C 3.24Å; L324-N327 PolarHBondContact O-N 3.29Å; L324-N327 VanDerWaalsContact O-N 3.1Å; L324-V328 PolarHBondContact O-N 3.38Å
325Y98.2Very high97.5Very high13 Ų1338 Ų385%0.05121%0.214CC..Hα-helixtrans-62.3-36.5176.7-83.9-64.2000112.6I313 R321 N327 T352 M356 R357 L358 K359I313-Y325 HydrophobicContact CB-CE2 4.19Å; I313-Y325 HydrophobicContact CD1-CD1 3.61Å; I313-Y325 HydrophobicContact CD1-CD2 4.15Å; I313-Y325 HydrophobicContact CD1-CE1 3.65Å; I313-Y325 HydrophobicContact CD1-CE2 4.2Å; I313-Y325 HydrophobicContact CD1-CG 3.87Å; I313-Y325 HydrophobicContact CG2-CD2 3.76Å; I313-Y325 HydrophobicContact CG2-CE2 3.43Å; I313-Y325 VanDerWaalsContact CG2-CE2 3.43Å; R321-Y325 WeakPolarHBondContact O-CD2 3.33Å; R321-Y325 PolarHBondContact O-N 3.28Å; Y325-N327 PolarHBondContact O-N 3.05Å; Y325-T352 HydrophobicContact CD1-CG2 3.79Å; Y325-T352 WeakPolarHBondContact CD1-OG1 3.22Å; Y325-T352 HydrophobicContact CD2-CG2 4.21Å; Y325-T352 HydrophobicContact CE1-CG2 4.08Å; Y325-T352 WeakPolarHBondContact CE1-OG1 3.48Å; Y325-T352 HydrophobicContact CE2-CG2 4.47Å; Y325-T352 HydrophobicContact CG-CG2 3.86Å; Y325-M356 HydrophobicContact CD2-CB 4.37Å; Y325-M356 HydrophobicContact CD2-SD 3.46Å; Y325-M356 WeakPolarHBondContact CD2-SD 3.36Å; Y325-M356 HydrophobicContact CE2-SD 3.74Å; Y325-R357 CarbonylContact C-O 3.42Å; Y325-L358 HydrophobicContact CD1-CD1 4.09Å; Y325-L358 WeakPolarHBondContact O-CA 3.29Å; Y325-K359 PolarHBondContact O-N 3.37Å
326S97.3Very high97.4Very high33 Ų3336.3 Ų36.323%0.23121%0.205CC..THydrogen-bonded Turntrans-76.1-2.8177.760.60000114.1P322 S323 L324 R357 K359P322-S326 VanDerWaalsContact O-CB 3.31Å; P322-S326 WeakPolarHBondContact O-CB 3.43Å; P322-S326 PolarHBondContact O-N 3.04Å; P322-S326 PolarHBondContact O-OG 3.01Å; S323-S326 WeakPolarHBondContact CA-OG 3.38Å; S323-S326 PolarHBondContact O-OG 3.38Å; S323-S326 VanDerWaalsContact O-OG 3.13Å; L324-S326 VanDerWaalsContact C-N 3.3Å; L324-S326 PolarHBondContact O-N 2.97Å; S326-R357 VanDerWaalsContact CA-O 3.22Å; S326-R357 WeakPolarHBondContact CA-O 3.31Å; S326-R357 WeakPolarHBondContact CB-O 3.35Å; S326-R357 PolarHBondContact N-O 2.91Å; S326-K359 WeakPolarHBondContact O-CB 3.37Å
327N97.4Very high97.4Very high22 Ų2237 Ų3712%0.11821%0.208CC..THydrogen-bonded Turntrans-14558.4178.3-61-70.9000111.6R143 T145 G146 L147 S323 L324 Y325R143-N327 PolarHBondContact NH1-OD1 3.44Å; T145-N327 WeakPolarHBondContact O-CB 3.43Å; G146-N327 CarbonylContact C-O 3.5Å; G146-N327 WeakPolarHBondContact CA-O 3.32Å; L147-N327 PolarHBondContact N-O 3.13Å; S323-N327 PolarHBondContact O-N 2.93Å; S323-N327 PolarHBondContact O-ND2 3.04Å; S323-N327 VanDerWaalsContact O-ND2 3.08Å; L324-N327 CarbonylContact O-C 3.59Å; L324-N327 VanDerWaalsContact O-C 3.24Å; L324-N327 PolarHBondContact O-N 3.29Å; L324-N327 VanDerWaalsContact O-N 3.1Å; Y325-N327 PolarHBondContact O-N 3.05Å
328V98.6Very high97.4Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-78123168179.80000107.9L147 V309 L324 V330 L348 L358 K359 V360 N361L147-V328 HydrophobicContact CD2-CG1 4.24Å; L147-V328 CarbonylContact O-C 3.56Å; L147-V328 WeakPolarHBondContact O-CA 3.17Å; V309-V328 HydrophobicContact CG1-CG1 4.43Å; V309-V328 HydrophobicContact CG1-CG2 4.25Å; L324-V328 PolarHBondContact O-N 3.38Å; V328-V330 HydrophobicContact CG1-CG2 4.42Å; V328-L348 HydrophobicContact CG1-CD1 4.4Å; V328-L358 HydrophobicContact CG2-CD1 4.1Å; V328-K359 PolarHBondContact N-O 2.85Å; V328-V360 HydrophobicContact CB-CG2 4.42Å; V328-V360 CarbonylContact O-C 3.03Å; V328-N361 PolarHBondContact O-N 3.3Å
329I98.5Very high97.4Very high1 Ų130.8 Ų30.81%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-111.5120.6-177.9-56.5171000108.1T137 C138 N141 R143 L147 V148 L149 V331 N361T137-I329 HydrophobicContact CG2-CG2 4.04Å; C138-I329 HydrophobicContact CB-CD1 4.48Å; N141-I329 HydrophobicContact CB-CD1 4.09Å; R143-I329 HydrophobicContact CB-CD1 4.23Å; R143-I329 HydrophobicContact CG-CD1 4.14Å; L147-I329 PolarHBondContact O-N 3.37Å; V148-I329 CarbonylContact C-O 3.31Å; V148-I329 WeakPolarHBondContact CA-O 3.25Å; L149-I329 PolarHBondContact N-O 2.83Å; I329-V331 HydrophobicContact CG2-CG1 4.16Å; I329-N361 CarbonylContact C-O 3.53Å; I329-N361 WeakPolarHBondContact CA-O 3.4Å
330V98.5Very high97.4Very high0 Ų024 Ų240%015%0.147CC..EExtended strand (participates in β ladder)trans-105.6121.3-176.6-176.50000110.3L149 V328 F340 T341 L344 V360 N361 F362L149-V330 HydrophobicContact CB-CG2 4.47Å; L149-V330 HydrophobicContact CD2-CG2 4.38Å; L149-V330 WeakPolarHBondContact O-CA 3.4Å; V328-V330 HydrophobicContact CG1-CG2 4.42Å; V330-F340 HydrophobicContact CG1-CD1 4.06Å; V330-F340 HydrophobicContact CG1-CE1 3.66Å; V330-T341 HydrophobicContact CB-CG2 4.19Å; V330-T341 HydrophobicContact CG1-CG2 4.03Å; V330-T341 HydrophobicContact CG2-CG2 4.41Å; V330-L344 HydrophobicContact CG2-CD2 3.51Å; V330-V360 HydrophobicContact CG2-CG1 3.5Å; V330-N361 PolarHBondContact N-O 2.85Å; V330-F362 HydrophobicContact CB-CB 4.34Å; V330-F362 WeakPolarHBondContact O-CB 3.35Å
331V98.3Very high97.4Very high4 Ų423.8 Ų23.82%0.02415%0.147CC..EExtended strand (participates in β ladder)trans-139179.7-179.7-61.30000110.9T137 V148 L149 D150 C151 I329 S335 P363T137-V331 HydrophobicContact CG2-CB 4.46Å; T137-V331 HydrophobicContact CG2-CG1 3.73Å; T137-V331 HydrophobicContact CG2-CG2 3.94Å; V148-V331 HydrophobicContact CG1-CG2 3.9Å; L149-V331 PolarHBondContact O-N 3.47Å; D150-V331 WeakPolarHBondContact CA-O 3.47Å; D150-V331 HydrophobicContact CB-CG2 3.87Å; C151-V331 PolarHBondContact N-O 2.87Å; I329-V331 HydrophobicContact CG2-CG1 4.16Å; V331-S335 PolarHBondContact O-OG 2.93Å; V331-P363 HydrophobicContact CG1-CG 4.2Å
332G96.6Very high97.4Very high4 Ų425.3 Ų25.34%0.04116%0.16CC..SBendtrans97152.717900000112.3D150 C151 N334 S335 R369D150-G332 VanDerWaalsContact OD1-CA 3.24Å; D150-G332 WeakPolarHBondContact OD1-CA 3.48Å; C151-G332 CarbonylContact O-C 3.33Å; C151-G332 VanDerWaalsContact O-C 3.31Å; C151-G332 WeakPolarHBondContact O-CA 3.42Å; G332-N334 VanDerWaalsContact C-N 3.29Å; G332-N334 PolarHBondContact O-N 2.93Å; G332-S335 WeakPolarHBondContact O-CB 3.4Å; G332-S335 PolarHBondContact O-N 2.87Å; G332-S335 VanDerWaalsContact O-N 3.1Å; G332-S335 PolarHBondContact O-OG 3.36Å; G332-R369 PolarHBondContact N-O 3.37Å
333G95.2Very high97.4Very high35 Ų3523 Ų2336%0.36115%0.145SC..G310 helixtrans-58.5-36.2-172.400000114.1C151 S335 L336C151-G333 PolarHBondContact O-N 2.54Å; G333-S335 VanDerWaalsContact C-N 3.31Å; G333-S335 PolarHBondContact O-N 3.41Å; G333-L336 VanDerWaalsContact O-CB 3.29Å; G333-L336 WeakPolarHBondContact O-CB 3.33Å; G333-L336 PolarHBondContact O-N 3.02Å
334N96Very high97.4Very high23 Ų2320.7 Ų20.712%0.12313%0.129CC..G310 helixtrans-81.4-11.4-178.2-66.9-75000113.4C151 G152 G178 G332 L336 I337C151-N334 HydrophobicContact CB-CB 4.22Å; C151-N334 PolarHBondContact O-N 2.93Å; C151-N334 WeakPolarHBondContact SG-CB 3.38Å; G152-N334 PolarHBondContact O-ND2 3.31Å; G178-N334 VanDerWaalsContact CA-CG 3.46Å; G178-N334 WeakPolarHBondContact CA-ND2 3.42Å; G178-N334 VanDerWaalsContact CA-OD1 3.32Å; G178-N334 WeakPolarHBondContact CA-OD1 3.35Å; G178-N334 PolarHBondContact N-ND2 3.13Å; G332-N334 VanDerWaalsContact C-N 3.29Å; G332-N334 PolarHBondContact O-N 2.93Å; N334-L336 PolarHBondContact O-N 3.34Å; N334-I337 HydrophobicContact CB-CD1 4.49Å; N334-I337 WeakPolarHBondContact O-CG1 3.49Å; N334-I337 PolarHBondContact O-N 3.34Å
335S96.9Very high97.4Very high0 Ų023.3 Ų23.30%014%0.141CC..G310 helixtrans-70.8-7.7168.573.80000113.1V331 G332 G333 I337 R369V331-S335 PolarHBondContact O-OG 2.93Å; G332-S335 WeakPolarHBondContact O-CB 3.4Å; G332-S335 PolarHBondContact O-N 2.87Å; G332-S335 VanDerWaalsContact O-N 3.1Å; G332-S335 PolarHBondContact O-OG 3.36Å; G333-S335 VanDerWaalsContact C-N 3.31Å; G333-S335 PolarHBondContact O-N 3.41Å; S335-I337 VanDerWaalsContact C-N 3.33Å; S335-R369 PolarHBondContact O-NH1 3.34Å; S335-R369 WeakPolarHBondContact OG-CD 3.29Å; S335-R369 WeakPolarHBondContact OG-CG 3.31Å
336L96.9Very high97.3Very high61 Ų6126.4 Ų26.432%0.31915%0.152SC..G310 helixtrans-82.7-7.5175.4-64.2166.1000113.5G333 N334 T338 T366 R369G333-L336 VanDerWaalsContact O-CB 3.29Å; G333-L336 WeakPolarHBondContact O-CB 3.33Å; G333-L336 PolarHBondContact O-N 3.02Å; N334-L336 PolarHBondContact O-N 3.34Å; L336-T338 PolarHBondContact O-N 3.49Å; L336-T366 HydrophobicContact CD1-CG2 3.62Å; L336-T366 HydrophobicContact CD2-CG2 3.87Å; L336-T366 HydrophobicContact CG-CG2 4.39Å; L336-R369 HydrophobicContact CD2-CB 4.25Å; L336-R369 VanDerWaalsContact CD2-CD 3.45Å; L336-R369 HydrophobicContact CD2-CG 4.24Å
337I97.3Very high97.3Very high15 Ų1525.6 Ų25.68%0.07715%0.145CC..SBendtrans-58.7129.3172.5-60170.4000108.2L247 V249 P285 L288 N334 S335 G339 F340L247-I337 HydrophobicContact CB-CG2 4.05Å; V249-I337 HydrophobicContact CG2-CB 4.46Å; V249-I337 HydrophobicContact CG2-CG2 3.81Å; P285-I337 HydrophobicContact CB-CD1 4.39Å; P285-I337 HydrophobicContact CB-CG2 4.28Å; L288-I337 HydrophobicContact CD1-CD1 4.38Å; N334-I337 HydrophobicContact CB-CD1 4.49Å; N334-I337 WeakPolarHBondContact O-CG1 3.49Å; N334-I337 PolarHBondContact O-N 3.34Å; S335-I337 VanDerWaalsContact C-N 3.33Å; I337-G339 PolarHBondContact O-N 2.84Å; I337-F340 WeakPolarHBondContact O-CB 3.36Å; I337-F340 PolarHBondContact O-N 3.21Å
338T96.7Very high97.3Very high90 Ų9024.6 Ų24.655%0.55214%0.14SC*.BIsolated β-bridgetrans-53.7130.7-177.9-58.10000110.6Q248 V249 L336 F340Q248-T338 HydrophobicContact CG-CG2 4.02Å; V249-T338 PolarHBondContact N-O 3.41Å; L336-T338 PolarHBondContact O-N 3.49Å; T338-F340 VanDerWaalsContact C-N 3.31Å; T338-F340 PolarHBondContact O-N 2.92Å
339G96.6Very high97.2Very high16 Ų1628.9 Ų28.917%0.16516%0.163CC..THydrogen-bonded Turntrans81.9-4.7-179.500000115.8I337 T341 D342 R343I337-G339 PolarHBondContact O-N 2.84Å; G339-T341 VanDerWaalsContact C-N 3.35Å; G339-T341 PolarHBondContact O-N 3.32Å; G339-D342 PolarHBondContact O-N 3.09Å; G339-R343 PolarHBondContact O-N 3.4Å
340F98.1Very high97.1Very high1 Ų134.7 Ų34.70%0.00419%0.193CC..Hα-helixtrans-54.5-47.8-177.9-178.4-82.3000112.8L149 C151 V249 L288 F289 M305 V330 I337 T338 L344L149-F340 HydrophobicContact CD2-CE1 4.28Å; L149-F340 HydrophobicContact CD2-CZ 4.38Å; C151-F340 HydrophobicContact CB-CZ 4.18Å; V249-F340 HydrophobicContact CG2-CB 4.32Å; L288-F340 HydrophobicContact CD1-CD2 4.34Å; L288-F340 HydrophobicContact CD1-CE2 4.03Å; F289-F340 HydrophobicContact CE2-CD2 4.02Å; F289-F340 HydrophobicContact CE2-CE2 4.26Å; F289-F340 AromaticContact CZ-CD2 3.87Å; F289-F340 HydrophobicContact CZ-CD2 3.87Å; F289-F340 AromaticContact CZ-CE2 3.97Å; F289-F340 HydrophobicContact CZ-CE2 3.97Å; F289-F340 HydrophobicContact CZ-CG 4.19Å; F289-F340 HydrophobicContact CZ-CZ 4.38Å; F289-F340 WeakPolarHBondContact CZ-O 3.29Å; M305-F340 HydrophobicContact CG-CE2 4.03Å; M305-F340 HydrophobicContact CG-CZ 3.93Å; M305-F340 HydrophobicContact SD-CE2 4.41Å; M305-F340 HydrophobicContact SD-CZ 4.22Å; V330-F340 HydrophobicContact CG1-CD1 4.06Å; V330-F340 HydrophobicContact CG1-CE1 3.66Å; I337-F340 WeakPolarHBondContact O-CB 3.36Å; I337-F340 PolarHBondContact O-N 3.21Å; T338-F340 VanDerWaalsContact C-N 3.31Å; T338-F340 PolarHBondContact O-N 2.92Å; F340-L344 HydrophobicContact CE1-CD2 4.27Å; F340-L344 VanDerWaalsContact O-CB 3.31Å; F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 PolarHBondContact O-N 3.31Å
341T97Very high97Very high12 Ų1238.1 Ų38.17%0.07421%0.208CC..Hα-helixtrans-73.4-33.5-17741.20000113.7V330 G339 L344 Q345 F362V330-T341 HydrophobicContact CB-CG2 4.19Å; V330-T341 HydrophobicContact CG1-CG2 4.03Å; V330-T341 HydrophobicContact CG2-CG2 4.41Å; G339-T341 VanDerWaalsContact C-N 3.35Å; G339-T341 PolarHBondContact O-N 3.32Å; T341-L344 PolarHBondContact O-N 3.39Å; T341-Q345 VanDerWaalsContact O-CB 3.22Å; T341-Q345 WeakPolarHBondContact O-CB 3.3Å; T341-Q345 PolarHBondContact O-N 2.97Å; T341-F362 HydrophobicContact CG2-CD1 3.66Å; T341-F362 HydrophobicContact CG2-CE1 3.87Å; T341-F362 HydrophobicContact CG2-CG 4.26Å
342D97.1Very high96.9Very high101 Ų10138.6 Ų38.654%0.5421%0.211SC..Hα-helixtrans-67.8-47178.6-57.9-65.5000110.6G339 L344 Q345 R346G339-D342 PolarHBondContact O-N 3.09Å; D342-L344 PolarHBondContact O-N 2.87Å; D342-Q345 PolarHBondContact O-N 2.89Å; D342-R346 PolarHBondContact O-N 3.36Å
343R97.7Very high96.8Very high4 Ų440.7 Ų40.72%0.01522%0.223CC..Hα-helixtrans-61-43.9173.5176.858.3178.2-77.1-0.7112V249 S250 E251 D252 E286 F289 G339 Q345 R346 D347V249-R343 HydrophobicContact CG1-CB 3.4Å; V249-R343 VanDerWaalsContact CG1-CB 3.4Å; V249-R343 HydrophobicContact CG1-CG 3.62Å; S250-R343 WeakPolarHBondContact O-CD 3.44Å; S250-R343 PolarHBondContact O-NH1 3.46Å; E251-R343 VanDerWaalsContact O-CD 3.32Å; E251-R343 WeakPolarHBondContact O-CD 3.33Å; D252-R343 PolarHBondContact O-NH1 2.69Å; E286-R343 IonicContact OE1-CZ 3.42Å; E286-R343 IonicContact OE1-NH1 2.88Å; E286-R343 PolarHBondContact OE1-NH1 2.81Å; E286-R343 IonicContact OE1-NH2 2.67Å; E286-R343 PolarHBondContact OE1-NH2 2.87Å; E286-R343 IonicContact OE2-CZ 3.88Å; E286-R343 IonicContact OE2-NH1 3.88Å; E286-R343 PolarHBondContact OE2-NH1 2.91Å; E286-R343 IonicContact OE2-NH2 3.26Å; F289-R343 HydrophobicContact CB-CG 4.29Å; F289-R343 VanDerWaalsContact CB-CZ 3.49Å; F289-R343 VanDerWaalsContact CB-NH2 3.29Å; F289-R343 HydrophobicContact CD1-CB 4.48Å; F289-R343 HydrophobicContact CD1-CG 3.5Å; F289-R343 VanDerWaalsContact CD1-CG 3.5Å; F289-R343 HydrophobicContact CD2-CG 3.85Å; F289-R343 HydrophobicContact CE1-CB 4.17Å; F289-R343 HydrophobicContact CE1-CG 3.67Å; F289-R343 HydrophobicContact CE2-CB 4.42Å; F289-R343 HydrophobicContact CE2-CG 4.01Å; F289-R343 HydrophobicContact CG-CG 3.59Å; F289-R343 HydrophobicContact CZ-CB 4.13Å; F289-R343 HydrophobicContact CZ-CG 3.92Å; G339-R343 PolarHBondContact O-N 3.4Å; R343-Q345 PolarHBondContact O-N 2.95Å; R343-R346 PolarHBondContact O-N 3.35Å; R343-D347 IonicContact CZ-OD2 2.78Å; R343-D347 IonicContact NE-OD1 3.38Å; R343-D347 PolarHBondContact NE-OD1 3.41Å; R343-D347 IonicContact NE-OD2 3.8Å; R343-D347 PolarHBondContact NE-OD2 3.41Å; R343-D347 IonicContact NH2-OD2 3.77Å; R343-D347 PolarHBondContact O-N 3.27Å
344L98.1Very high96.8Very high0 Ų045.8 Ų45.80%025%0.25CS..Hα-helixtrans-61-45.7176.1-177.868.5000112L149 F289 M305 V330 F340 T341 D342 R346 D347 L348 V360L149-L344 HydrophobicContact CD2-CD1 4.1Å; L149-L344 HydrophobicContact CD2-CD2 3.39Å; L149-L344 HydrophobicContact CD2-CG 4.39Å; F289-L344 HydrophobicContact CE1-CB 3.94Å; F289-L344 HydrophobicContact CE1-CD1 4.26Å; F289-L344 HydrophobicContact CZ-CB 4.41Å; M305-L344 HydrophobicContact CB-CD1 3.88Å; V330-L344 HydrophobicContact CG2-CD2 3.51Å; F340-L344 HydrophobicContact CE1-CD2 4.27Å; F340-L344 VanDerWaalsContact O-CB 3.31Å; F340-L344 WeakPolarHBondContact O-CB 3.49Å; F340-L344 PolarHBondContact O-N 3.31Å; T341-L344 PolarHBondContact O-N 3.39Å; D342-L344 PolarHBondContact O-N 2.87Å; L344-R346 VanDerWaalsContact C-N 3.32Å; L344-R346 PolarHBondContact O-N 2.85Å; L344-D347 PolarHBondContact O-N 2.96Å; L344-L348 HydrophobicContact CD1-CD1 3.91Å; L344-L348 HydrophobicContact CD1-CG 4.03Å; L344-L348 HydrophobicContact CD2-CD1 4.33Å; L344-L348 HydrophobicContact CG-CD1 3.77Å; L344-L348 HydrophobicContact CG-CG 4.24Å; L344-L348 VanDerWaalsContact O-CB 3.25Å; L344-L348 WeakPolarHBondContact O-CB 3.42Å; L344-L348 VanDerWaalsContact O-CG 3.28Å; L344-L348 WeakPolarHBondContact O-CG 3.5Å; L344-L348 PolarHBondContact O-N 3.45Å; L344-V360 HydrophobicContact CD2-CG1 4.4Å
345Q97.5Very high96.7Very high54 Ų5449.9 Ų49.925%0.25228%0.281SS..Hα-helixtrans-60.3-42.1178.4174.664.971.900111.3T341 D342 R343 N349 V360T341-Q345 VanDerWaalsContact O-CB 3.22Å; T341-Q345 WeakPolarHBondContact O-CB 3.3Å; T341-Q345 PolarHBondContact O-N 2.97Å; D342-Q345 PolarHBondContact O-N 2.89Å; R343-Q345 PolarHBondContact O-N 2.95Å; Q345-N349 PolarHBondContact NE2-ND2 3.21Å; Q345-N349 VanDerWaalsContact NE2-ND2 3.16Å; Q345-N349 PolarHBondContact NE2-OD1 2.97Å; Q345-N349 WeakPolarHBondContact O-CB 3.47Å; Q345-N349 PolarHBondContact O-N 3.34Å; Q345-N349 PolarHBondContact O-ND2 3.42Å; Q345-N349 VanDerWaalsContact O-ND2 3.14Å; Q345-V360 HydrophobicContact CB-CB 4.46Å; Q345-V360 HydrophobicContact CB-CG2 4.13Å; Q345-V360 VanDerWaalsContact OE1-CB 3.26Å; Q345-V360 VanDerWaalsContact OE1-CG2 3.26Å; Q345-V360 VanDerWaalsContact OE1-N 3.16Å
346R97.1Very high96.6Very high79 Ų7951.5 Ų51.530%0.29829%0.289SS..Hα-helixtrans-61.5-54.8174.2179.3-170.8171.5-88.7-4111.6E251 D252 D342 R343 L344 L348 N349 I350E251-R346 WeakPolarHBondContact O-CD 3.4Å; D252-R346 IonicContact OD1-CZ 2.9Å; D252-R346 IonicContact OD1-NE 3.97Å; D252-R346 IonicContact OD1-NH1 3.73Å; D252-R346 PolarHBondContact OD1-NH1 3.5Å; D252-R346 IonicContact OD1-NH2 2.73Å; D252-R346 PolarHBondContact OD1-NH2 3.41Å; D252-R346 IonicContact OD2-CZ 3.78Å; D252-R346 IonicContact OD2-NE 4Å; D252-R346 PolarHBondContact OD2-NE 3.37Å; D252-R346 IonicContact OD2-NH2 2.66Å; D252-R346 PolarHBondContact OD2-NH2 3.07Å; D342-R346 PolarHBondContact O-N 3.36Å; R343-R346 PolarHBondContact O-N 3.35Å; L344-R346 VanDerWaalsContact C-N 3.32Å; L344-R346 PolarHBondContact O-N 2.85Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 2.9Å; R346-N349 WeakPolarHBondContact O-CB 3.23Å; R346-N349 PolarHBondContact O-N 3.13Å; R346-N349 VanDerWaalsContact O-N 3.11Å; R346-I350 PolarHBondContact O-N 3.42Å
347D97.6Very high96.6Very high16 Ų1657.8 Ų57.89%0.08631%0.308CS..Hα-helixtrans-66-33.8-174.9-73.94.3000111.9R343 L344 K351R343-D347 IonicContact CZ-OD2 2.78Å; R343-D347 IonicContact NE-OD1 3.38Å; R343-D347 PolarHBondContact NE-OD1 3.41Å; R343-D347 IonicContact NE-OD2 3.8Å; R343-D347 PolarHBondContact NE-OD2 3.41Å; R343-D347 IonicContact NH2-OD2 3.77Å; R343-D347 PolarHBondContact O-N 3.27Å; L344-D347 PolarHBondContact O-N 2.96Å; D347-K351 WeakPolarHBondContact O-CG 3.36Å; D347-K351 PolarHBondContact O-N 2.62Å
348L97.8Very high96.6Very high0 Ų058 Ų580%031%0.309CS..Hα-helixtrans-71.4-34.4173.1-73.8178.1000112.6S306 V309 V328 L344 R346 I350 K351 T352 L358 V360S306-L348 WeakPolarHBondContact O-CD2 3.45Å; V309-L348 HydrophobicContact CB-CD1 4.5Å; V309-L348 HydrophobicContact CB-CD2 3.86Å; V309-L348 HydrophobicContact CG1-CD1 3.96Å; V309-L348 HydrophobicContact CG1-CD2 3.62Å; V309-L348 HydrophobicContact CG1-CG 4.47Å; V328-L348 HydrophobicContact CG1-CD1 4.4Å; L344-L348 HydrophobicContact CD1-CD1 3.91Å; L344-L348 HydrophobicContact CD1-CG 4.03Å; L344-L348 HydrophobicContact CD2-CD1 4.33Å; L344-L348 HydrophobicContact CG-CD1 3.77Å; L344-L348 HydrophobicContact CG-CG 4.24Å; L344-L348 VanDerWaalsContact O-CB 3.25Å; L344-L348 WeakPolarHBondContact O-CB 3.42Å; L344-L348 VanDerWaalsContact O-CG 3.28Å; L344-L348 WeakPolarHBondContact O-CG 3.5Å; L344-L348 PolarHBondContact O-N 3.45Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 2.9Å; L348-I350 PolarHBondContact O-N 2.81Å; L348-K351 CarbonylContact O-C 3.57Å; L348-K351 PolarHBondContact O-N 3.07Å; L348-K351 VanDerWaalsContact O-N 3.09Å; L348-T352 WeakPolarHBondContact O-CB 3.38Å; L348-T352 PolarHBondContact O-N 3.18Å; L348-T352 PolarHBondContact O-OG1 3.13Å; L348-L358 VanDerWaalsContact C-CD2 3.45Å; L348-L358 HydrophobicContact CB-CD1 4.07Å; L348-L358 HydrophobicContact CB-CD2 3.34Å; L348-L358 HydrophobicContact CB-CG 4.39Å; L348-L358 HydrophobicContact CD1-CD1 4.2Å; L348-V360 HydrophobicContact CD1-CG2 4.06Å
349N96.5Very high96.7Very high91 Ų9157.7 Ų57.749%0.48730%0.3SS..Hα-helixtrans-59.3-37175-88-37.6000111.4Q345 R346 K351 L358Q345-N349 PolarHBondContact NE2-ND2 3.21Å; Q345-N349 VanDerWaalsContact NE2-ND2 3.16Å; Q345-N349 PolarHBondContact NE2-OD1 2.97Å; Q345-N349 WeakPolarHBondContact O-CB 3.47Å; Q345-N349 PolarHBondContact O-N 3.34Å; Q345-N349 PolarHBondContact O-ND2 3.42Å; Q345-N349 VanDerWaalsContact O-ND2 3.14Å; R346-N349 WeakPolarHBondContact O-CB 3.23Å; R346-N349 PolarHBondContact O-N 3.13Å; R346-N349 VanDerWaalsContact O-N 3.11Å; N349-K351 VanDerWaalsContact C-N 3.34Å; N349-L358 HydrophobicContact CB-CD2 4.33Å; N349-L358 VanDerWaalsContact N-CD2 3.32Å; N349-L358 WeakPolarHBondContact OD1-CD2 3.36Å
350I95.9Very high96.7Very high122 Ų12257.7 Ų57.763%0.62630%0.297SS*.Hα-helixtrans-68.1-34.9176.6-61.7168000111.3R346 L348R346-I350 PolarHBondContact O-N 3.42Å; L348-I350 PolarHBondContact O-N 2.81Å
351K95.4Very high96.7Very high73 Ų7358.9 Ų58.932%0.31730%0.304SS..Hα-helixtrans-87.8-22.2-176.7-68179.6-178.2-55.70114.1S306 H307 A310 D347 L348 N349S306-K351 WeakPolarHBondContact OG-CE 3.38Å; H307-K351 PolarHBondContact CD2-NZ 3.36Å; H307-K351 VanDerWaalsContact CD2-NZ 3.27Å; H307-K351 PolarHBondContact CE1-NZ 3.1Å; H307-K351 PolarHBondContact NE2-NZ 3.33Å; A310-K351 HydrophobicContact CB-CB 4.25Å; A310-K351 HydrophobicContact CB-CD 4.04Å; D347-K351 WeakPolarHBondContact O-CG 3.36Å; D347-K351 PolarHBondContact O-N 2.62Å; L348-K351 CarbonylContact O-C 3.57Å; L348-K351 PolarHBondContact O-N 3.07Å; L348-K351 VanDerWaalsContact O-N 3.09Å; N349-K351 VanDerWaalsContact C-N 3.34Å
352T96.5Very high96.7Very high14 Ų1462.7 Ų62.79%0.08632%0.319CS..SBendtrans-75.9129.9-176.3-580000109.4Y325 L348 M356 L358Y325-T352 HydrophobicContact CD1-CG2 3.79Å; Y325-T352 WeakPolarHBondContact CD1-OG1 3.22Å; Y325-T352 HydrophobicContact CD2-CG2 4.21Å; Y325-T352 HydrophobicContact CE1-CG2 4.08Å; Y325-T352 WeakPolarHBondContact CE1-OG1 3.48Å; Y325-T352 HydrophobicContact CE2-CG2 4.47Å; Y325-T352 HydrophobicContact CG-CG2 3.86Å; L348-T352 WeakPolarHBondContact O-CB 3.38Å; L348-T352 PolarHBondContact O-N 3.18Å; L348-T352 PolarHBondContact O-OG1 3.13Å; T352-M356 HydrophobicContact CG2-CB 3.92Å; T352-L358 HydrophobicContact CG2-CB 4.19Å
353P95.6Very high96.6Very high47 Ų4758.5 Ų58.531%0.30530%0.298SS..  trans-55.4139.6175.6-26.635.3000111.8S355 M356P353-S355 PolarHBondContact O-N 2.95Å; P353-M356 HydrophobicContact CB-CG 4.37Å; P353-M356 HydrophobicContact CB-SD 4.4Å; P353-M356 HydrophobicContact CG-CE 4.47Å; P353-M356 HydrophobicContact CG-SD 4.03Å; P353-M356 PolarHBondContact O-N 3.14Å
354P94.1Very high96.3Very high143 Ų14363.7 Ų63.793%0.92933%0.334SS*.THydrogen-bonded Turntrans-59.2-20.1-178.4-26.434.3000115.1M356P354-M356 VanDerWaalsContact C-N 3.3Å
355S93.9Very high96Very high109 Ų10966.8 Ų66.876%0.76235%0.353SS*.THydrogen-bonded Turntrans-77.9-11.4175.254.30000113.9P353P353-S355 PolarHBondContact O-N 2.95Å
356M95.6Very high95.9Very high34 Ų3468.8 Ų68.817%0.16737%0.369CS..SBendtrans-111.9144.2-177.5-61.7-179.6-175.300110.5R321 P322 Y325 T352 P353 P354R321-M356 HydrophobicContact CB-CE 3.81Å; R321-M356 HydrophobicContact CB-SD 4Å; P322-M356 HydrophobicContact CB-CG 4.39Å; P322-M356 HydrophobicContact CG-CE 4.11Å; P322-M356 HydrophobicContact CG-CG 4.19Å; P322-M356 HydrophobicContact CG-SD 4.35Å; Y325-M356 HydrophobicContact CD2-CB 4.37Å; Y325-M356 HydrophobicContact CD2-SD 3.46Å; Y325-M356 WeakPolarHBondContact CD2-SD 3.36Å; Y325-M356 HydrophobicContact CE2-SD 3.74Å; T352-M356 HydrophobicContact CG2-CB 3.92Å; P353-M356 HydrophobicContact CB-CG 4.37Å; P353-M356 HydrophobicContact CB-SD 4.4Å; P353-M356 HydrophobicContact CG-CE 4.47Å; P353-M356 HydrophobicContact CG-SD 4.03Å; P353-M356 PolarHBondContact O-N 3.14Å; P354-M356 VanDerWaalsContact C-N 3.3Å
357R96.1Very high95.7Very high193 Ų19366.5 Ų66.573%0.72837%0.368SS*.  trans-95.3117176.9-177.1-178.1178.4-164.91.9109.9Y325 S326Y325-R357 CarbonylContact C-O 3.42Å; S326-R357 VanDerWaalsContact CA-O 3.22Å; S326-R357 WeakPolarHBondContact CA-O 3.31Å; S326-R357 WeakPolarHBondContact CB-O 3.35Å; S326-R357 PolarHBondContact N-O 2.91Å
358L98.1Very high95.5Very high19 Ų1969.1 Ų69.110%0.09938%0.379CS..  trans-79.1137.2170.7179.265.9000111.1Y325 V328 L348 N349 T352 V360Y325-L358 HydrophobicContact CD1-CD1 4.09Å; Y325-L358 WeakPolarHBondContact O-CA 3.29Å; V328-L358 HydrophobicContact CG2-CD1 4.1Å; L348-L358 VanDerWaalsContact C-CD2 3.45Å; L348-L358 HydrophobicContact CB-CD1 4.07Å; L348-L358 HydrophobicContact CB-CD2 3.34Å; L348-L358 HydrophobicContact CB-CG 4.39Å; L348-L358 HydrophobicContact CD1-CD1 4.2Å; N349-L358 HydrophobicContact CB-CD2 4.33Å; N349-L358 VanDerWaalsContact N-CD2 3.32Å; N349-L358 WeakPolarHBondContact OD1-CD2 3.36Å; T352-L358 HydrophobicContact CG2-CB 4.19Å; L358-V360 HydrophobicContact CD1-CG2 4.27Å; L358-V360 HydrophobicContact CG-CG2 4.45Å
359K97.8Very high95.4Very high83 Ų8370.3 Ų70.336%0.36138%0.384SS..  trans-144.2116.6164.1-170.3-171.4-175.3-150.30109.8Y325 S326 V328 N361Y325-K359 PolarHBondContact O-N 3.37Å; S326-K359 WeakPolarHBondContact O-CB 3.37Å; V328-K359 PolarHBondContact N-O 2.85Å; K359-N361 WeakPolarHBondContact CD-OD1 3.34Å; K359-N361 WeakPolarHBondContact CE-OD1 3.38Å; K359-N361 PolarHBondContact NZ-OD1 2.97Å
360V98Very high95.3Very high16 Ų1669.9 Ų69.910%0.09738%0.375CS..EExtended strand (participates in β ladder)trans-89.8121.4170.9-177.40000108.5V328 V330 L344 Q345 L348 L358V328-V360 HydrophobicContact CB-CG2 4.42Å; V328-V360 CarbonylContact O-C 3.03Å; V330-V360 HydrophobicContact CG2-CG1 3.5Å; L344-V360 HydrophobicContact CD2-CG1 4.4Å; Q345-V360 HydrophobicContact CB-CB 4.46Å; Q345-V360 HydrophobicContact CB-CG2 4.13Å; Q345-V360 VanDerWaalsContact OE1-CB 3.26Å; Q345-V360 VanDerWaalsContact OE1-CG2 3.26Å; Q345-V360 VanDerWaalsContact OE1-N 3.16Å; L348-V360 HydrophobicContact CD1-CG2 4.06Å; L358-V360 HydrophobicContact CD1-CG2 4.27Å; L358-V360 HydrophobicContact CG-CG2 4.45Å
361N97.4Very high95.3Very high27 Ų2764.9 Ų64.914%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-114156.2175.6-50.9-78.5000109V328 I329 V330 K359V328-N361 PolarHBondContact O-N 3.3Å; I329-N361 CarbonylContact C-O 3.53Å; I329-N361 WeakPolarHBondContact CA-O 3.4Å; V330-N361 PolarHBondContact N-O 2.85Å; K359-N361 WeakPolarHBondContact CD-OD1 3.34Å; K359-N361 WeakPolarHBondContact CE-OD1 3.38Å; K359-N361 PolarHBondContact NZ-OD1 2.97Å
362F96.9Very high95.3Very high91 Ų9161.6 Ų61.640%0.39934%0.335SS..  trans-160.515317545.5-96.1000109.1V330 T341V330-F362 HydrophobicContact CB-CB 4.34Å; V330-F362 WeakPolarHBondContact O-CB 3.35Å; T341-F362 HydrophobicContact CG2-CD1 3.66Å; T341-F362 HydrophobicContact CG2-CE1 3.87Å; T341-F362 HydrophobicContact CG2-CG 4.26Å
363P95.5Very high95.4Very high14 Ų1461.4 Ų61.49%0.09133%0.334CS..  trans-62148.5175.8-22.534.1000112.5V331 E368 R369V331-P363 HydrophobicContact CG1-CG 4.2Å; P363-E368 HydrophobicContact CB-CB 3.38Å; P363-E368 HydrophobicContact CB-CG 4.47Å; P363-E368 HydrophobicContact CG-CB 4.15Å; P363-R369 HydrophobicContact CB-CB 4.42Å; P363-R369 HydrophobicContact CG-CB 4.46Å
364S90.3Very high95.5Very high112 Ų11259.2 Ų59.278%0.78332%0.32SS*.SBendtrans-73.6-31.6-175.739.60000113.6E368S364-E368 PolarHBondContact OG-OE2 2.85Å
365T93.8Very high95.6Very high66 Ų6653.4 Ų53.441%0.40528%0.281SS..SBendtrans-99.5147.6-178.970.90000111.3A367 E368 R369T365-A367 PolarHBondContact O-N 3.4Å; T365-E368 WeakPolarHBondContact CB-OE2 3.38Å; T365-E368 WeakPolarHBondContact CG2-OE2 3.29Å; T365-E368 PolarHBondContact N-OE2 3.17Å; T365-E368 VanDerWaalsContact N-OE2 3.09Å; T365-E368 PolarHBondContact O-N 2.87Å; T365-E368 WeakPolarHBondContact OG1-CB 3.39Å; T365-E368 WeakPolarHBondContact OG1-CG 3.43Å; T365-E368 PolarHBondContact OG1-N 3.02Å; T365-E368 VanDerWaalsContact OG1-N 3.13Å; T365-E368 PolarHBondContact OG1-OE2 3.18Å; T365-R369 PolarHBondContact O-N 2.93Å
366T94Very high95.7Very high95 Ų9548.2 Ų48.258%0.58324%0.244SC*.Hα-helixtrans-53.4-37.6172.4-57.20000111.9L336 R370L336-T366 HydrophobicContact CD1-CG2 3.62Å; L336-T366 HydrophobicContact CD2-CG2 3.87Å; L336-T366 HydrophobicContact CG-CG2 4.39Å; T366-R370 VanDerWaalsContact O-CB 3.27Å; T366-R370 WeakPolarHBondContact O-CB 3.48Å; T366-R370 PolarHBondContact O-N 3.41Å
367A92.6Very high95.8Very high32 Ų3246.6 Ų46.626%0.26424%0.236SC..Hα-helixtrans-67.6-51.7-177.400000110.8T365 R369 R370 Y371T365-A367 PolarHBondContact O-N 3.4Å; A367-R369 VanDerWaalsContact C-N 3.29Å; A367-R369 PolarHBondContact O-N 3.1Å; A367-R370 PolarHBondContact O-N 2.9Å; A367-R370 VanDerWaalsContact O-N 3.1Å; A367-Y371 HydrophobicContact CB-CE1 3.66Å; A367-Y371 HydrophobicContact CB-CE2 4.43Å; A367-Y371 VanDerWaalsContact CB-CZ 3.45Å; A367-Y371 WeakPolarHBondContact CB-OH 3.38Å; A367-Y371 WeakPolarHBondContact O-CD1 3.27Å; A367-Y371 WeakPolarHBondContact O-CD2 3.49Å; A367-Y371 VanDerWaalsContact O-CE1 3.26Å; A367-Y371 WeakPolarHBondContact O-CE1 3.42Å; A367-Y371 PolarHBondContact O-N 3.48Å; A367-Y371 VanDerWaalsContact O-N 3.09Å
368E94.5Very high95.8Very high71 Ų7137.5 Ų37.533%0.33220%0.202SC..Hα-helixtrans-61-38.2177.2-66.2162.3135.100112.6P363 S364 T365 R370 S372 I375P363-E368 HydrophobicContact CB-CB 3.38Å; P363-E368 HydrophobicContact CB-CG 4.47Å; P363-E368 HydrophobicContact CG-CB 4.15Å; S364-E368 PolarHBondContact OG-OE2 2.85Å; T365-E368 WeakPolarHBondContact CB-OE2 3.38Å; T365-E368 WeakPolarHBondContact CG2-OE2 3.29Å; T365-E368 PolarHBondContact N-OE2 3.17Å; T365-E368 VanDerWaalsContact N-OE2 3.09Å; T365-E368 PolarHBondContact O-N 2.87Å; T365-E368 WeakPolarHBondContact OG1-CB 3.39Å; T365-E368 WeakPolarHBondContact OG1-CG 3.43Å; T365-E368 PolarHBondContact OG1-N 3.02Å; T365-E368 VanDerWaalsContact OG1-N 3.13Å; T365-E368 PolarHBondContact OG1-OE2 3.18Å; E368-R370 VanDerWaalsContact C-N 3.34Å; E368-S372 WeakPolarHBondContact O-CA 3.37Å; E368-S372 WeakPolarHBondContact O-CB 3.27Å; E368-S372 PolarHBondContact O-N 3.09Å; E368-I375 VanDerWaalsContact CA-CD1 3.48Å; E368-I375 HydrophobicContact CB-CD1 3.82Å; E368-I375 HydrophobicContact CG-CD1 3.66Å
369R95.6Very high95.6Very high25 Ų2539.5 Ų39.59%0.09421%0.213CC..Hα-helixtrans-67.5-34.8177.2-168.8179.8-114.6-176.87.2112.1G332 S335 L336 P363 T365 A367G332-R369 PolarHBondContact N-O 3.37Å; S335-R369 PolarHBondContact O-NH1 3.34Å; S335-R369 WeakPolarHBondContact OG-CD 3.29Å; S335-R369 WeakPolarHBondContact OG-CG 3.31Å; L336-R369 HydrophobicContact CD2-CB 4.25Å; L336-R369 VanDerWaalsContact CD2-CD 3.45Å; L336-R369 HydrophobicContact CD2-CG 4.24Å; P363-R369 HydrophobicContact CB-CB 4.42Å; P363-R369 HydrophobicContact CG-CB 4.46Å; T365-R369 PolarHBondContact O-N 2.93Å; A367-R369 VanDerWaalsContact C-N 3.29Å; A367-R369 PolarHBondContact O-N 3.1Å
370R95.1Very high95.5Very high82 Ų8237 Ų3731%0.30920%0.203SC..Hα-helixtrans-75.2-36.1-178.7-179.9175.8170.5-145.7-15.8113.3S16 D30 T366 A367 E368S16-R370 PolarHBondContact OG-NH2 2.92Å; D30-R370 IonicContact OD1-NH2 3.6Å; D30-R370 IonicContact OD2-CZ 3.56Å; D30-R370 IonicContact OD2-NH1 2.73Å; D30-R370 PolarHBondContact OD2-NH1 3.02Å; D30-R370 IonicContact OD2-NH2 3.41Å; D30-R370 PolarHBondContact OD2-NH2 3.12Å; T366-R370 VanDerWaalsContact O-CB 3.27Å; T366-R370 WeakPolarHBondContact O-CB 3.48Å; T366-R370 PolarHBondContact O-N 3.41Å; A367-R370 PolarHBondContact O-N 2.9Å; A367-R370 VanDerWaalsContact O-N 3.1Å; E368-R370 VanDerWaalsContact C-N 3.34Å
371Y94.3Very high95.2Very high16 Ų1636.5 Ų36.56%0.06320%0.201CC..Hα-helixtrans-132.336-173.954.1-110.5000113.5N26 A367 S373 W374 I375N26-Y371 PolarHBondContact OD1-OH 3.11Å; A367-Y371 HydrophobicContact CB-CE1 3.66Å; A367-Y371 HydrophobicContact CB-CE2 4.43Å; A367-Y371 VanDerWaalsContact CB-CZ 3.45Å; A367-Y371 WeakPolarHBondContact CB-OH 3.38Å; A367-Y371 WeakPolarHBondContact O-CD1 3.27Å; A367-Y371 WeakPolarHBondContact O-CD2 3.49Å; A367-Y371 VanDerWaalsContact O-CE1 3.26Å; A367-Y371 WeakPolarHBondContact O-CE1 3.42Å; A367-Y371 PolarHBondContact O-N 3.48Å; A367-Y371 VanDerWaalsContact O-N 3.09Å; Y371-S373 PolarHBondContact O-N 2.88Å; Y371-S373 VanDerWaalsContact O-N 3.14Å; Y371-W374 HydrophobicContact CD2-CE3 4.3Å; Y371-W374 WeakPolarHBondContact O-CB 3.5Å; Y371-W374 PolarHBondContact O-N 2.83Å; Y371-I375 HydrophobicContact CD2-CD1 3.67Å; Y371-I375 HydrophobicContact CD2-CG1 3.82Å; Y371-I375 HydrophobicContact CE2-CD1 3.52Å; Y371-I375 HydrophobicContact CE2-CG1 3.77Å; Y371-I375 PolarHBondContact O-N 3.19Å
372S96.8Very high95Very high4 Ų438.2 Ų38.23%0.02822%0.215CC..Hα-helixtrans-53.8-35.3-177.9-161.10000114.2A140 N141 E368 I375 G376A140-S372 WeakPolarHBondContact CB-O 3.45Å; N141-S372 PolarHBondContact ND2-OG 3.37Å; E368-S372 WeakPolarHBondContact O-CA 3.37Å; E368-S372 WeakPolarHBondContact O-CB 3.27Å; E368-S372 PolarHBondContact O-N 3.09Å; S372-I375 PolarHBondContact O-N 3.45Å; S372-G376 PolarHBondContact O-N 3.34Å
373S96.8Very high94.7Very high11 Ų1136.5 Ų36.58%0.07721%0.21CC..Hα-helixtrans-60.6-43.5174.251.80000112.2D11 L136 Y371 G376 G377D11-S373 VanDerWaalsContact CG-OG 3.26Å; D11-S373 PolarHBondContact OD1-OG 3.17Å; D11-S373 PolarHBondContact OD2-OG 3.27Å; L136-S373 WeakPolarHBondContact CB-O 3.19Å; L136-S373 WeakPolarHBondContact CD1-O 3.07Å; Y371-S373 PolarHBondContact O-N 2.88Å; Y371-S373 VanDerWaalsContact O-N 3.14Å; S373-G376 PolarHBondContact O-N 3.02Å; S373-G377 PolarHBondContact O-N 3.43Å
374W97.9Very high94.3Very high0 Ų038.9 Ų38.90%024%0.237CC..Hα-helixtrans-64.8-44177.2-175.987.3000111.3V9 D11 R18 E24 N26 P27 Y371 G376 G377 S378V9-W374 HydrophobicContact CG1-CG 4.39Å; V9-W374 PolarHBondContact O-NE1 2.8Å; D11-W374 HydrophobicContact CB-CB 3.86Å; D11-W374 HydrophobicContact CB-CG 4.33Å; R18-W374 HydrophobicContact CB-CG 4.26Å; E24-W374 HydrophobicContact CB-CH2 4.25Å; E24-W374 WeakPolarHBondContact O-CH2 3.36Å; E24-W374 WeakPolarHBondContact O-CZ3 3.45Å; N26-W374 VanDerWaalsContact O-CH2 3.23Å; N26-W374 WeakPolarHBondContact O-CH2 3.35Å; P27-W374 HydrophobicContact CB-CD2 3.93Å; P27-W374 HydrophobicContact CB-CE3 4.31Å; P27-W374 HydrophobicContact CB-CG 4.46Å; P27-W374 HydrophobicContact CB-CH2 4.41Å; P27-W374 HydrophobicContact CB-CZ2 4.03Å; P27-W374 HydrophobicContact CG-CD2 4.37Å; P27-W374 HydrophobicContact CG-CE3 4.41Å; P27-W374 VanDerWaalsContact N-CZ3 3.34Å; Y371-W374 HydrophobicContact CD2-CE3 4.3Å; Y371-W374 WeakPolarHBondContact O-CB 3.5Å; Y371-W374 PolarHBondContact O-N 2.83Å; W374-G376 VanDerWaalsContact C-N 3.3Å; W374-G376 PolarHBondContact O-N 2.64Å; W374-G377 CarbonylContact O-C 3.55Å; W374-G377 WeakPolarHBondContact O-CA 3.14Å; W374-G377 PolarHBondContact O-N 2.92Å; W374-G377 VanDerWaalsContact O-N 3.13Å; W374-S378 PolarHBondContact O-N 2.84Å
375I96.9Very high94.1Very high21 Ų2139 Ų3911%0.10823%0.233CC..Hα-helixtrans-60-43.4174.9-70.5156.2000110.6A140 E368 Y371 S372 G377 S378 I379A140-I375 HydrophobicContact CB-CB 4.3Å; A140-I375 HydrophobicContact CB-CG2 3.96Å; E368-I375 VanDerWaalsContact CA-CD1 3.48Å; E368-I375 HydrophobicContact CB-CD1 3.82Å; E368-I375 HydrophobicContact CG-CD1 3.66Å; Y371-I375 HydrophobicContact CD2-CD1 3.67Å; Y371-I375 HydrophobicContact CD2-CG1 3.82Å; Y371-I375 HydrophobicContact CE2-CD1 3.52Å; Y371-I375 HydrophobicContact CE2-CG1 3.77Å; Y371-I375 PolarHBondContact O-N 3.19Å; S372-I375 PolarHBondContact O-N 3.45Å; I375-G377 VanDerWaalsContact C-N 3.28Å; I375-G377 PolarHBondContact O-N 3.42Å; I375-S378 WeakPolarHBondContact O-CB 3.2Å; I375-S378 PolarHBondContact O-N 3.07Å; I375-S378 VanDerWaalsContact O-N 3.09Å; I375-I379 HydrophobicContact CG2-CD1 3.75Å; I375-I379 HydrophobicContact CG2-CG1 4.25Å; I375-I379 WeakPolarHBondContact O-CG1 3.34Å; I375-I379 PolarHBondContact O-N 3.15Å
376G96.4Very high93.8Very high0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-58.1-42.4175.600000112.3L136 S372 S373 W374 L380L136-G376 VanDerWaalsContact O-CA 3.23Å; L136-G376 WeakPolarHBondContact O-CA 3.29Å; S372-G376 PolarHBondContact O-N 3.34Å; S373-G376 PolarHBondContact O-N 3.02Å; W374-G376 VanDerWaalsContact C-N 3.3Å; W374-G376 PolarHBondContact O-N 2.64Å; G376-L380 WeakPolarHBondContact O-CB 3.48Å; G376-L380 PolarHBondContact O-N 3.32Å
377G96.5Very high93.3Very high0 Ų037.4 Ų37.40%021%0.214CC..Hα-helixtrans-64.8-39.5173.300000112.8S373 W374 I375 L380 G381S373-G377 PolarHBondContact O-N 3.43Å; W374-G377 CarbonylContact O-C 3.55Å; W374-G377 WeakPolarHBondContact O-CA 3.14Å; W374-G377 PolarHBondContact O-N 2.92Å; W374-G377 VanDerWaalsContact O-N 3.13Å; I375-G377 VanDerWaalsContact C-N 3.28Å; I375-G377 PolarHBondContact O-N 3.42Å; G377-L380 PolarHBondContact O-N 3.02Å; G377-G381 PolarHBondContact O-N 2.92Å
378S96.4Very high93Very high2 Ų244.1 Ų44.11%0.01424%0.24CC..Hα-helixtrans-61.4-49.4176.6-178.30000111.7A22 G23 E24 W374 I375 S382A22-S378 WeakPolarHBondContact CB-O 3.42Å; G23-S378 PolarHBondContact N-O 2.7Å; G23-S378 PolarHBondContact N-OG 2.7Å; E24-S378 PolarHBondContact N-OG 2.72Å; E24-S378 VanDerWaalsContact N-OG 3.1Å; E24-S378 PolarHBondContact O-OG 2.88Å; W374-S378 PolarHBondContact O-N 2.84Å; I375-S378 WeakPolarHBondContact O-CB 3.2Å; I375-S378 PolarHBondContact O-N 3.07Å; I375-S378 VanDerWaalsContact O-N 3.09Å; S378-S382 PolarHBondContact O-N 3.4Å; S378-S382 PolarHBondContact O-OG 3.16Å
379I95.1Very high92.8Very high62 Ų6244.5 Ų44.532%0.31824%0.243SC..Hα-helixtrans-64.5-49.5177.6-58.8167000109.3F139 I375 G381 S382 L383F139-I379 HydrophobicContact CD1-CB 4.26Å; F139-I379 HydrophobicContact CD1-CG2 4.2Å; F139-I379 HydrophobicContact CE1-CB 3.95Å; F139-I379 HydrophobicContact CE1-CG2 3.49Å; F139-I379 VanDerWaalsContact CE1-CG2 3.49Å; F139-I379 HydrophobicContact CZ-CG2 4.25Å; I375-I379 HydrophobicContact CG2-CD1 3.75Å; I375-I379 HydrophobicContact CG2-CG1 4.25Å; I375-I379 WeakPolarHBondContact O-CG1 3.34Å; I375-I379 PolarHBondContact O-N 3.15Å; I379-G381 PolarHBondContact O-N 2.9Å; I379-S382 PolarHBondContact O-N 2.87Å; I379-S382 VanDerWaalsContact O-N 3.08Å; I379-S382 PolarHBondContact O-OG 3.33Å; I379-L383 WeakPolarHBondContact O-CG 3.31Å; I379-L383 PolarHBondContact O-N 3.25Å
380L93.9Very high92.7Very high31 Ų3144.2 Ų44.216%0.16224%0.242CC..Hα-helixtrans-58.6-45.7-177.8-177.161.4000111.9L100 L136 F139 G376 G377 S382 L383 F386L100-L380 HydrophobicContact CD1-CB 4.39Å; L100-L380 HydrophobicContact CD1-CD2 4.14Å; L100-L380 HydrophobicContact CD1-CG 4.29Å; L136-L380 HydrophobicContact CD2-CB 4.48Å; L136-L380 HydrophobicContact CD2-CD2 3.71Å; F139-L380 HydrophobicContact CD1-CB 4.13Å; F139-L380 HydrophobicContact CE1-CB 4.09Å; F139-L380 HydrophobicContact CE1-CD1 4.37Å; G376-L380 WeakPolarHBondContact O-CB 3.48Å; G376-L380 PolarHBondContact O-N 3.32Å; G377-L380 PolarHBondContact O-N 3.02Å; L380-S382 PolarHBondContact O-N 2.67Å; L380-L383 HydrophobicContact CD1-CD1 4.18Å; L380-L383 PolarHBondContact O-N 3.35Å; L380-F386 HydrophobicContact CD1-CD2 3.49Å; L380-F386 VanDerWaalsContact CD1-CD2 3.49Å; L380-F386 HydrophobicContact CD1-CE2 3.86Å; L380-F386 HydrophobicContact CD1-CG 4.09Å; L380-F386 HydrophobicContact CD2-CD2 4.26Å; L380-F386 HydrophobicContact CD2-CE2 3.76Å; L380-F386 HydrophobicContact CD2-CZ 4.11Å; L380-F386 HydrophobicContact CG-CD2 3.69Å; L380-F386 HydrophobicContact CG-CE1 4.48Å; L380-F386 HydrophobicContact CG-CE2 3.67Å; L380-F386 HydrophobicContact CG-CG 4.12Å; L380-F386 HydrophobicContact CG-CZ 4.08Å; L380-F386 VanDerWaalsContact O-CB 3.32Å; L380-F386 WeakPolarHBondContact O-CB 3.25Å; L380-F386 WeakPolarHBondContact O-CG 3.42Å
381G92.9Very high92.7Very high5 Ų540.3 Ų40.35%0.05223%0.227CC..Hα-helixtrans-65.7-22.4178.400000114.2G377 I379G377-G381 PolarHBondContact O-N 2.92Å; I379-G381 PolarHBondContact O-N 2.9Å
382S92.8Very high92.7Very high62 Ų6241.6 Ų41.643%0.43424%0.238SC..Hα-helixtrans-87.6-8.5177.671.60000114.5S378 I379 L380 G384S378-S382 PolarHBondContact O-N 3.4Å; S378-S382 PolarHBondContact O-OG 3.16Å; I379-S382 PolarHBondContact O-N 2.87Å; I379-S382 VanDerWaalsContact O-N 3.08Å; I379-S382 PolarHBondContact O-OG 3.33Å; L380-S382 PolarHBondContact O-N 2.67Å; S382-G384 PolarHBondContact O-N 2.98Å
383L91.3Very high92.6Very high55 Ų5543.1 Ų43.129%0.28825%0.249SC..  trans-76.6126.8-179.2-59174.3000110.8F139 I379 L380 T385 F386F139-L383 HydrophobicContact CE1-CD1 3.93Å; F139-L383 HydrophobicContact CE2-CD1 4.47Å; F139-L383 HydrophobicContact CZ-CD1 3.46Å; F139-L383 VanDerWaalsContact CZ-CD1 3.46Å; I379-L383 WeakPolarHBondContact O-CG 3.31Å; I379-L383 PolarHBondContact O-N 3.25Å; L380-L383 HydrophobicContact CD1-CD1 4.18Å; L380-L383 PolarHBondContact O-N 3.35Å; L383-T385 PolarHBondContact O-N 3.05Å; L383-T385 VanDerWaalsContact O-N 3.17Å; L383-F386 HydrophobicContact CB-CB 4.09Å; L383-F386 WeakPolarHBondContact O-CB 3.44Å; L383-F386 PolarHBondContact O-N 3.3Å
384G86.1Confident92.5Very high64 Ų6448.8 Ų48.866%0.6628%0.275SS*.G310 helixtrans-58.4-29.3172.800000113.6S382 F386 Q387S382-G384 PolarHBondContact O-N 2.98Å; G384-F386 VanDerWaalsContact C-N 3.3Å; G384-F386 PolarHBondContact O-N 2.74Å; G384-Q387 WeakPolarHBondContact O-CB 3.43Å; G384-Q387 WeakPolarHBondContact O-CG 3.38Å; G384-Q387 PolarHBondContact O-N 3.48Å
385T86.3Confident92.2Very high115 Ų11550.8 Ų50.871%0.70628%0.284SS*.G310 helixtrans-71.2-22.6175.850.70000113.4L383 Q387L383-T385 PolarHBondContact O-N 3.05Å; L383-T385 VanDerWaalsContact O-N 3.17Å; T385-Q387 PolarHBondContact O-N 2.76Å
386F87.3Confident92.2Very high10 Ų1050.3 Ų50.34%0.04428%0.281CS..G310 helixtrans-75-14.5179.6-172.9-108.7000112.8L100 Y129 L380 L383 G384 Q388 M389 W390L100-F386 HydrophobicContact CD1-CE1 3.96Å; L100-F386 HydrophobicContact CD1-CZ 4.02Å; Y129-F386 HydrophobicContact CD1-CE2 4.07Å; Y129-F386 AromaticContact CD1-CZ 3.49Å; Y129-F386 HydrophobicContact CD1-CZ 3.49Å; Y129-F386 VanDerWaalsContact CD1-CZ 3.49Å; Y129-F386 HydrophobicContact CD2-CZ 4.13Å; Y129-F386 HydrophobicContact CE1-CE2 4.02Å; Y129-F386 AromaticContact CE1-CZ 3.92Å; Y129-F386 HydrophobicContact CE1-CZ 3.92Å; Y129-F386 HydrophobicContact CG-CE1 4.47Å; Y129-F386 HydrophobicContact CG-CE2 4.33Å; Y129-F386 AromaticContact CG-CZ 3.58Å; Y129-F386 HydrophobicContact CG-CZ 3.58Å; L380-F386 HydrophobicContact CD1-CD2 3.49Å; L380-F386 VanDerWaalsContact CD1-CD2 3.49Å; L380-F386 HydrophobicContact CD1-CE2 3.86Å; L380-F386 HydrophobicContact CD1-CG 4.09Å; L380-F386 HydrophobicContact CD2-CD2 4.26Å; L380-F386 HydrophobicContact CD2-CE2 3.76Å; L380-F386 HydrophobicContact CD2-CZ 4.11Å; L380-F386 HydrophobicContact CG-CD2 3.69Å; L380-F386 HydrophobicContact CG-CE1 4.48Å; L380-F386 HydrophobicContact CG-CE2 3.67Å; L380-F386 HydrophobicContact CG-CG 4.12Å; L380-F386 HydrophobicContact CG-CZ 4.08Å; L380-F386 VanDerWaalsContact O-CB 3.32Å; L380-F386 WeakPolarHBondContact O-CB 3.25Å; L380-F386 WeakPolarHBondContact O-CG 3.42Å; L383-F386 HydrophobicContact CB-CB 4.09Å; L383-F386 WeakPolarHBondContact O-CB 3.44Å; L383-F386 PolarHBondContact O-N 3.3Å; G384-F386 VanDerWaalsContact C-N 3.3Å; G384-F386 PolarHBondContact O-N 2.74Å; F386-Q388 PolarHBondContact O-N 3.43Å; F386-M389 HydrophobicContact CD2-CB 3.73Å; F386-M389 HydrophobicContact CD2-CG 3.84Å; F386-M389 HydrophobicContact CE2-CB 3.59Å; F386-M389 HydrophobicContact CE2-CG 4.03Å; F386-M389 HydrophobicContact CG-CB 4.4Å; F386-M389 HydrophobicContact CZ-CB 4.15Å; F386-M389 WeakPolarHBondContact O-CB 3.25Å; F386-M389 PolarHBondContact O-N 2.93Å; F386-W390 HydrophobicContact CD1-CD2 4.42Å; F386-W390 AromaticContact CD1-CE2 3.72Å; F386-W390 AromaticContact CD1-CZ2 3.84Å; F386-W390 HydrophobicContact CD1-CZ2 3.84Å; F386-W390 AromaticContact CD1-NE1 3.78Å; F386-W390 AromaticContact CE1-CD2 3.94Å; F386-W390 HydrophobicContact CE1-CD2 3.94Å; F386-W390 AromaticContact CE1-CE2 3.54Å; F386-W390 HydrophobicContact CE1-CE3 4.24Å; F386-W390 AromaticContact CE1-CH2 3.9Å; F386-W390 HydrophobicContact CE1-CH2 3.9Å; F386-W390 AromaticContact CE1-CZ2 3.53Å; F386-W390 HydrophobicContact CE1-CZ2 3.53Å; F386-W390 HydrophobicContact CE1-CZ3 4.22Å
387Q84.4Confident92.1Very high118 Ų11855.9 Ų55.955%0.55131%0.311SS*.G310 helixtrans-55.3-27.3-178.9-68.2-65.4-21.300113.8G384 T385G384-Q387 WeakPolarHBondContact O-CB 3.43Å; G384-Q387 WeakPolarHBondContact O-CG 3.38Å; G384-Q387 PolarHBondContact O-N 3.48Å; T385-Q387 PolarHBondContact O-N 2.76Å
388Q86.4Confident91.9Very high172 Ų17262.2 Ų62.280%0.80434%0.34SS*.G310 helixtrans-81.2-14.7178.8-61.4-178.6-0.200113.9F386F386-Q388 PolarHBondContact O-N 3.43Å
389M90.6Very high91.8Very high79 Ų7967.4 Ų67.439%0.38937%0.367SS..THydrogen-bonded Turntrans-85.8-22.9-176.7-65.4-58.4-62.200112.9Y129 F386Y129-M389 HydrophobicContact CD2-CB 4.37Å; Y129-M389 WeakPolarHBondContact CD2-O 3.43Å; Y129-M389 HydrophobicContact CE2-CB 4.14Å; Y129-M389 HydrophobicContact CE2-CE 4.09Å; F386-M389 HydrophobicContact CD2-CB 3.73Å; F386-M389 HydrophobicContact CD2-CG 3.84Å; F386-M389 HydrophobicContact CE2-CB 3.59Å; F386-M389 HydrophobicContact CE2-CG 4.03Å; F386-M389 HydrophobicContact CG-CB 4.4Å; F386-M389 HydrophobicContact CZ-CB 4.15Å; F386-M389 WeakPolarHBondContact O-CB 3.25Å; F386-M389 PolarHBondContact O-N 2.93Å
390W93.4Very high91.5Very high19 Ų1965.8 Ų65.87%0.07237%0.366CS..PPolyproline II helixtrans-54.5141.8178.7-68.1118.3000112.2A7 P98 V99 L100 A127 F386 K407A7-W390 HydrophobicContact CB-CH2 3.8Å; A7-W390 HydrophobicContact CB-CZ2 3.64Å; P98-W390 HydrophobicContact CB-CD2 4.35Å; P98-W390 HydrophobicContact CB-CE3 4.3Å; P98-W390 HydrophobicContact CB-CH2 3.9Å; P98-W390 HydrophobicContact CB-CZ2 3.97Å; P98-W390 HydrophobicContact CB-CZ3 4.09Å; V99-W390 WeakPolarHBondContact O-CZ3 3.45Å; L100-W390 HydrophobicContact CB-CH2 3.84Å; L100-W390 HydrophobicContact CB-CZ3 4.22Å; A127-W390 HydrophobicContact CB-CB 4.03Å; A127-W390 HydrophobicContact CB-CD2 4.4Å; A127-W390 HydrophobicContact CB-CE3 4.34Å; A127-W390 HydrophobicContact CB-CG 4.28Å; F386-W390 HydrophobicContact CD1-CD2 4.42Å; F386-W390 AromaticContact CD1-CE2 3.72Å; F386-W390 AromaticContact CD1-CZ2 3.84Å; F386-W390 HydrophobicContact CD1-CZ2 3.84Å; F386-W390 AromaticContact CD1-NE1 3.78Å; F386-W390 AromaticContact CE1-CD2 3.94Å; F386-W390 HydrophobicContact CE1-CD2 3.94Å; F386-W390 AromaticContact CE1-CE2 3.54Å; F386-W390 HydrophobicContact CE1-CE3 4.24Å; F386-W390 AromaticContact CE1-CH2 3.9Å; F386-W390 HydrophobicContact CE1-CH2 3.9Å; F386-W390 AromaticContact CE1-CZ2 3.53Å; F386-W390 HydrophobicContact CE1-CZ2 3.53Å; F386-W390 HydrophobicContact CE1-CZ3 4.22Å; W390-K407 PolarHBondContact O-NZ 2.87Å
391I94.4Very high91.3Very high0 Ų069 Ų690%038%0.379CS..EExtended strand (participates in β ladder)trans-90.4117164.6-58.2163.9000105.7F120 A127 F128 V404 K407F120-I391 HydrophobicContact CE2-CG2 4.28Å; F120-I391 HydrophobicContact CZ-CB 4.47Å; F120-I391 HydrophobicContact CZ-CG2 4.14Å; F120-I391 WeakPolarHBondContact CZ-O 3.17Å; A127-I391 CarbonylContact C-O 3.51Å; A127-I391 WeakPolarHBondContact CA-O 3.36Å; F128-I391 HydrophobicContact CD1-CD1 4.44Å; F128-I391 PolarHBondContact N-O 2.67Å; F128-I391 WeakPolarHBondContact O-CB 3.47Å; F128-I391 PolarHBondContact O-N 2.97Å; I391-V404 HydrophobicContact CD1-CB 4.22Å; I391-V404 HydrophobicContact CD1-CG1 4.45Å; I391-V404 HydrophobicContact CD1-CG2 3.99Å; I391-K407 HydrophobicContact CD1-CB 4.31Å; I391-K407 HydrophobicContact CG1-CB 4.26Å; I391-K407 HydrophobicContact CG1-CD 3.71Å
392S94.6Very high90.9Very high43 Ų4370 Ų7030%0.30139%0.389SS..EExtended strand (participates in β ladder)trans-80.6156.9177.471.60000110.9Q394 E395 Y396S392-Q394 PolarHBondContact O-N 3Å; S392-E395 PolarHBondContact O-N 3.08Å; S392-E395 VanDerWaalsContact O-N 3.13Å; S392-E395 WeakPolarHBondContact OG-CB 3.45Å; S392-E395 PolarHBondContact OG-N 3.38Å; S392-Y396 PolarHBondContact O-N 3.02Å
393S93.7Very high90.6Very high36 Ų3667.2 Ų67.225%0.25237%0.37SS..Hα-helixtrans-57.3-35.5172.2178.40000111.9P126 Y396 N397P126-S393 PolarHBondContact O-N 3.06Å; S393-Y396 PolarHBondContact O-N 3.11Å; S393-N397 WeakPolarHBondContact O-CB 3.5Å; S393-N397 PolarHBondContact O-N 3.32Å; S393-N397 PolarHBondContact O-ND2 3.12Å
394Q94.3Very high90.4Very high131 Ų13164.6 Ų64.661%0.61236%0.356SS*.Hα-helixtrans-61.6-49.2174.1-178.5-179.4-5.600111.6S392 Y396 N397 E398S392-Q394 PolarHBondContact O-N 3Å; Q394-Y396 VanDerWaalsContact C-N 3.32Å; Q394-Y396 PolarHBondContact O-N 3.24Å; Q394-N397 PolarHBondContact O-N 3.06Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.41Å; Q394-E398 PolarHBondContact NE2-OE1 3.15Å; Q394-E398 WeakPolarHBondContact O-CG 3.48Å; Q394-E398 PolarHBondContact O-N 3.41Å
395E93.6Very high90.4Very high41 Ų4163.6 Ų63.619%0.19234%0.335CS..Hα-helixtrans-63.2-39.5178.8-177.2179.2-173.900111.8S392 N397 E398 L399 K407S392-E395 PolarHBondContact O-N 3.08Å; S392-E395 VanDerWaalsContact O-N 3.13Å; S392-E395 WeakPolarHBondContact OG-CB 3.45Å; S392-E395 PolarHBondContact OG-N 3.38Å; E395-N397 VanDerWaalsContact C-N 3.35Å; E395-N397 PolarHBondContact O-N 3.19Å; E395-E398 PolarHBondContact O-N 2.84Å; E395-L399 HydrophobicContact CG-CD1 3.73Å; E395-L399 HydrophobicContact CG-CG 4.33Å; E395-L399 WeakPolarHBondContact O-CB 3.26Å; E395-L399 PolarHBondContact O-N 3.22Å; E395-K407 WeakPolarHBondContact OE1-CE 3.23Å; E395-K407 IonicContact OE1-NZ 3.98Å; E395-K407 PolarHBondContact OE1-NZ 2.83Å; E395-K407 IonicContact OE2-NZ 3.33Å; E395-K407 PolarHBondContact OE2-NZ 3.33Å
396Y94.9Very high90Very high11 Ų1166.7 Ų66.74%0.04334%0.339CS..Hα-helixtrans-59.9-43.4173174.6-95000111.9A116 E117 F120 E121 S392 S393 Q394 E398 G400 K401A116-Y396 HydrophobicContact CB-CE2 4.48Å; E117-Y396 WeakPolarHBondContact CA-OH 3.38Å; F120-Y396 HydrophobicContact CB-CD1 3.85Å; F120-Y396 HydrophobicContact CB-CE1 3.92Å; F120-Y396 HydrophobicContact CB-CG 4.3Å; F120-Y396 AromaticContact CD2-CD1 3.87Å; F120-Y396 HydrophobicContact CD2-CD1 3.87Å; F120-Y396 AromaticContact CD2-CD2 3.44Å; F120-Y396 HydrophobicContact CD2-CD2 3.44Å; F120-Y396 VanDerWaalsContact CD2-CD2 3.44Å; F120-Y396 HydrophobicContact CD2-CE1 4.34Å; F120-Y396 AromaticContact CD2-CE2 3.93Å; F120-Y396 HydrophobicContact CD2-CE2 3.93Å; F120-Y396 AromaticContact CD2-CG 3.41Å; F120-Y396 HydrophobicContact CD2-CG 3.41Å; F120-Y396 VanDerWaalsContact CD2-CG 3.41Å; F120-Y396 AromaticContact CE2-CD2 3.77Å; F120-Y396 HydrophobicContact CE2-CD2 3.77Å; F120-Y396 AromaticContact CE2-CG 3.79Å; F120-Y396 HydrophobicContact CE2-CG 3.79Å; F120-Y396 AromaticContact CG-CD1 3.95Å; F120-Y396 HydrophobicContact CG-CD1 3.95Å; F120-Y396 HydrophobicContact CG-CD2 4.33Å; F120-Y396 HydrophobicContact CG-CE1 4.42Å; F120-Y396 AromaticContact CG-CG 3.91Å; F120-Y396 HydrophobicContact CG-CG 3.91Å; E121-Y396 HydrophobicContact CG-CE1 4.17Å; E121-Y396 PolarHBondContact OE1-OH 3.07Å; S392-Y396 PolarHBondContact O-N 3.02Å; S393-Y396 PolarHBondContact O-N 3.11Å; Q394-Y396 VanDerWaalsContact C-N 3.32Å; Q394-Y396 PolarHBondContact O-N 3.24Å; Y396-E398 VanDerWaalsContact C-N 3.33Å; Y396-E398 PolarHBondContact O-N 3.41Å; Y396-G400 WeakPolarHBondContact O-CA 3.26Å; Y396-G400 PolarHBondContact O-N 3.45Å; Y396-K401 HydrophobicContact CE2-CB 4.05Å
397N94.4Very high89.7Confident118 Ų11869.5 Ų69.563%0.63135%0.351SS*.Hα-helixtrans-67.1-33.5178.6-68.8-30.6000112.6S393 Q394 E395S393-N397 WeakPolarHBondContact O-CB 3.5Å; S393-N397 PolarHBondContact O-N 3.32Å; S393-N397 PolarHBondContact O-ND2 3.12Å; Q394-N397 PolarHBondContact O-N 3.06Å; E395-N397 VanDerWaalsContact C-N 3.35Å; E395-N397 PolarHBondContact O-N 3.19Å
398E94.1Very high89.4Confident133 Ų13364.2 Ų64.262%0.62133%0.327SS*.Hα-helixtrans-79.1-43.4-179.8-71.8175.1-166.800112.8Q394 E395 Y396Q394-E398 WeakPolarHBondContact CG-OE1 3.41Å; Q394-E398 PolarHBondContact NE2-OE1 3.15Å; Q394-E398 WeakPolarHBondContact O-CG 3.48Å; Q394-E398 PolarHBondContact O-N 3.41Å; E395-E398 PolarHBondContact O-N 2.84Å; Y396-E398 VanDerWaalsContact C-N 3.33Å; Y396-E398 PolarHBondContact O-N 3.41Å
399L92.5Very high88.1Confident110 Ų11060.2 Ų60.258%0.57632%0.323SS*.Hα-helixtrans-98.7-13.4-173.9-60.4-178.2000113.6E395 C403E395-L399 HydrophobicContact CG-CD1 3.73Å; E395-L399 HydrophobicContact CG-CG 4.33Å; E395-L399 WeakPolarHBondContact O-CB 3.26Å; E395-L399 PolarHBondContact O-N 3.22Å; L399-C403 HydrophobicContact CB-CB 3.82Å; L399-C403 HydrophobicContact CD1-CB 3.95Å
400G90.5Very high88Confident29 Ų2959.3 Ų59.330%0.29932%0.32SS..  trans68.2-176.5-17100000113.2Y396 G402 C403Y396-G400 WeakPolarHBondContact O-CA 3.26Å; Y396-G400 PolarHBondContact O-N 3.45Å; G400-G402 PolarHBondContact O-N 3.18Å; G400-C403 PolarHBondContact O-N 3.06Å; G400-C403 PolarHBondContact O-SG 3.27Å
401K88.8Confident87.7Confident98 Ų9861.4 Ų61.443%0.42633%0.333SS..THydrogen-bonded Turntrans-53.3-26.5-178.765.9-171.3-171.4167.60115.7E113 Y396 C403 V404E113-K401 HydrophobicContact CB-CB 4.03Å; E113-K401 HydrophobicContact CB-CD 4.1Å; E113-K401 HydrophobicContact CB-CG 4.19Å; E113-K401 HydrophobicContact CG-CB 4.06Å; E113-K401 HydrophobicContact CG-CD 4.4Å; E113-K401 HydrophobicContact CG-CG 4.05Å; E113-K401 WeakPolarHBondContact OE2-CD 3.5Å; E113-K401 WeakPolarHBondContact OE2-CE 3.32Å; E113-K401 IonicContact OE2-NZ 3.27Å; Y396-K401 HydrophobicContact CE2-CB 4.05Å; K401-C403 PolarHBondContact O-N 2.6Å; K401-C403 VanDerWaalsContact O-N 3.16Å; K401-V404 WeakPolarHBondContact O-CG2 3.24Å; K401-V404 PolarHBondContact O-N 3.34Å
402G85.2Confident87.3Confident26 Ų2664.8 Ų64.827%0.26835%0.351SS..THydrogen-bonded Turntrans-66.8-12.3-179.300000115G400 V404G400-G402 PolarHBondContact O-N 3.18Å; G402-V404 VanDerWaalsContact C-N 3.3Å; G402-V404 PolarHBondContact O-N 3.4Å
403C87Confident86.9Confident4 Ų466.1 Ų66.13%0.02735%0.354CS..Hα-helixtrans-65.2-32175.663.50000113L399 G400 K401 D405 K406 K407L399-C403 HydrophobicContact CB-CB 3.82Å; L399-C403 HydrophobicContact CD1-CB 3.95Å; G400-C403 PolarHBondContact O-N 3.06Å; G400-C403 PolarHBondContact O-SG 3.27Å; K401-C403 PolarHBondContact O-N 2.6Å; K401-C403 VanDerWaalsContact O-N 3.16Å; C403-D405 VanDerWaalsContact C-N 3.31Å; C403-D405 PolarHBondContact O-N 2.85Å; C403-K406 PolarHBondContact O-N 3.4Å; C403-K406 VanDerWaalsContact O-N 3.14Å; C403-K407 PolarHBondContact O-N 2.83Å
404V86.8Confident86.5Confident0 Ų067.9 Ų67.90%036%0.361CS..Hα-helixtrans-58.2-44.6-177.6-1790000111.4R112 A116 F128 I130 I391 K401 G402 K406 K407 C408R112-V404 HydrophobicContact CB-CG1 4.16Å; A116-V404 HydrophobicContact CB-CG2 3.55Å; F128-V404 HydrophobicContact CD1-CG2 4.46Å; F128-V404 HydrophobicContact CE1-CG1 3.93Å; F128-V404 HydrophobicContact CE1-CG2 4.2Å; I130-V404 HydrophobicContact CG2-CG1 3.92Å; I391-V404 HydrophobicContact CD1-CB 4.22Å; I391-V404 HydrophobicContact CD1-CG1 4.45Å; I391-V404 HydrophobicContact CD1-CG2 3.99Å; K401-V404 WeakPolarHBondContact O-CG2 3.24Å; K401-V404 PolarHBondContact O-N 3.34Å; G402-V404 VanDerWaalsContact C-N 3.3Å; G402-V404 PolarHBondContact O-N 3.4Å; V404-K406 VanDerWaalsContact C-N 3.29Å; V404-K406 PolarHBondContact O-N 2.88Å; V404-K407 PolarHBondContact O-N 3.21Å; V404-C408 VanDerWaalsContact O-CB 3.25Å; V404-C408 WeakPolarHBondContact O-CB 3.31Å; V404-C408 PolarHBondContact O-N 2.77Å
405D84.4Confident86Confident42 Ų4263.7 Ų63.723%0.22534%0.344CS..Hα-helixtrans-65.9-30.5-178.4-166.458.2000112.8K109 R112 C403 A409K109-D405 HydrophobicContact CD-CB 4.26Å; K109-D405 WeakPolarHBondContact CD-OD2 3.39Å; K109-D405 WeakPolarHBondContact CE-OD2 3.25Å; K109-D405 HydrophobicContact CG-CB 4.26Å; K109-D405 IonicContact NZ-OD2 3.36Å; K109-D405 PolarHBondContact NZ-OD2 3.48Å; R112-D405 IonicContact CZ-OD1 2.73Å; R112-D405 IonicContact NH2-OD1 3.58Å; R112-D405 PolarHBondContact NH2-OD1 2.8Å; C403-D405 VanDerWaalsContact C-N 3.31Å; C403-D405 PolarHBondContact O-N 2.85Å; D405-A409 WeakPolarHBondContact O-CB 3.32Å
406K79Confident85.4Confident180 Ų18065.4 Ų65.478%0.78336%0.355SS*.Hα-helixtrans-80.1-34.6-178.6-66.9-178.8-179.5176.30112.9C403 V404C403-K406 PolarHBondContact O-N 3.4Å; C403-K406 VanDerWaalsContact O-N 3.14Å; V404-K406 VanDerWaalsContact C-N 3.29Å; V404-K406 PolarHBondContact O-N 2.88Å
407K80.1Confident84.7Confident70 Ų7069.5 Ų69.530%0.30438%0.379SS..Hα-helixtrans-90.4-29.5-177.7-85.8-174.6158.7-170.80113.5W390 I391 E395 C403 V404W390-K407 PolarHBondContact O-NZ 2.87Å; I391-K407 HydrophobicContact CD1-CB 4.31Å; I391-K407 HydrophobicContact CG1-CB 4.26Å; I391-K407 HydrophobicContact CG1-CD 3.71Å; E395-K407 WeakPolarHBondContact OE1-CE 3.23Å; E395-K407 IonicContact OE1-NZ 3.98Å; E395-K407 PolarHBondContact OE1-NZ 2.83Å; E395-K407 IonicContact OE2-NZ 3.33Å; E395-K407 PolarHBondContact OE2-NZ 3.33Å; C403-K407 PolarHBondContact O-N 2.83Å; V404-K407 PolarHBondContact O-N 3.21Å
408C79.2Confident83.9Confident7 Ų765.5 Ų65.55%0.04736%0.358CS..  trans-106.822.5-176.5-53.30000112.7R112 Y129 I130 V404R112-C408 PolarHBondContact NH1-O 2.97Å; Y129-C408 VanDerWaalsContact CE2-SG 3.59Å; I130-C408 HydrophobicContact CG2-CB 3.61Å; I130-C408 WeakPolarHBondContact O-CB 3.3Å; V404-C408 VanDerWaalsContact O-CB 3.25Å; V404-C408 WeakPolarHBondContact O-CB 3.31Å; V404-C408 PolarHBondContact O-N 2.77Å
409A59.3Low83Confident87 Ų8759.4 Ų59.472%0.71933%0.334SS*.  trans-65.90-178.100000112.6K132 D405K132-A409 PolarHBondContact NZ-OXT 3.07Å; D405-A409 WeakPolarHBondContact O-CB 3.32Å

Retrieved 409 of 409 residues in 86.4 ms (Link to these results)

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