A0A093HAZ1_STRCA Loading...

Platelet-activating factor acetylhydrolase IB subunit alpha2

AlphaFold DB , UniProt , Accession A0A093HAZ1, Species STRCA (Struthio camelus australis), Gene n/a, Length 229 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
1M37.6Very low72.4Confident241 Ų24196.5 Ų96.5100%1.18757%0.571SS**  0105.50-59.8179.2-159.600105.3Q3M1-Q3 PolarHBondContact O-N 3.36Å
2S38.1Very low74.6Confident114 Ų11492.3 Ų92.380%0.79755%0.548SS*.  trans-61.4130.9179.149.80000108.1G4S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 3.04Å
3Q42.5Very low76.4Confident194 Ų19491.2 Ų91.291%0.90753%0.534SS*.  trans-56.8102.5161.5-73.1-176-6.200105.5M1 D5M1-Q3 PolarHBondContact O-N 3.36Å; Q3-D5 PolarHBondContact O-N 2.7Å
4G46.8Very low78Confident59 Ų5987.1 Ų87.161%0.60852%0.516SS*.  trans-61.2129.7174.700000107.5S2 S6S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 3.04Å; G4-S6 PolarHBondContact O-N 3.04Å
5D56.7Low79.3Confident169 Ų16983.1 Ų83.190%0.90450%0.497SS*.  trans-45106.8-176.3-67-41.8000110.4Q3 N7Q3-D5 PolarHBondContact O-N 2.7Å; D5-N7 PolarHBondContact O-N 3.3Å
6S86.2Confident80.5Confident90 Ų9088.8 Ų88.863%0.62952%0.516SS*.  trans-72.6124.3178.7-172.20000107.7G4 P8G4-S6 PolarHBondContact O-N 3.04Å; S6-P8 VanDerWaalsContact O-CD 3.23Å; S6-P8 WeakPolarHBondContact O-CD 3.29Å
7N96.8Very high81.5Confident38 Ų3887.6 Ų87.620%0.20351%0.508CS..  trans-54.8111.6178172.15000110D5 A9 A10 E113D5-N7 PolarHBondContact O-N 3.3Å; N7-A9 PolarHBondContact O-N 3.31Å; N7-A9 WeakPolarHBondContact OD1-CB 3.4Å; N7-A9 PolarHBondContact OD1-N 2.9Å; N7-A10 HydrophobicContact CB-CB 4.15Å; N7-A10 WeakPolarHBondContact O-CB 3.42Å; N7-A10 PolarHBondContact O-N 3.29Å; N7-E113 PolarHBondContact ND2-O 3.18Å; N7-E113 WeakPolarHBondContact OD1-CA 3.38Å; N7-E113 VanDerWaalsContact OD1-CB 3.23Å; N7-E113 WeakPolarHBondContact OD1-CB 3.38Å; N7-E113 WeakPolarHBondContact OD1-CG 3.33Å; N7-E113 PolarHBondContact OD1-O 3.46Å
8P97.1Very high82.4Confident61 Ų6190.9 Ų90.940%0.39652%0.521SS..G310 helixtrans-62.7-30.8-174.324-33.7000112.7S6 A10 V11S6-P8 VanDerWaalsContact O-CD 3.23Å; S6-P8 WeakPolarHBondContact O-CD 3.29Å; P8-A10 PolarHBondContact O-N 3.24Å; P8-V11 PolarHBondContact O-N 3.48Å
9A98.3Very high83.3Confident2 Ų293.1 Ų93.12%0.01753%0.526CS..G310 helixtrans-70-13.9176.700000113.3N7 T78 N109 E113 G117N7-A9 PolarHBondContact O-N 3.31Å; N7-A9 WeakPolarHBondContact OD1-CB 3.4Å; N7-A9 PolarHBondContact OD1-N 2.9Å; A9-T78 WeakPolarHBondContact O-CB 3.46Å; A9-T78 PolarHBondContact O-OG1 3.47Å; A9-N109 HydrophobicContact CB-CB 4.39Å; A9-E113 HydrophobicContact CB-CB 4.13Å; A9-E113 WeakPolarHBondContact CB-O 3.45Å; A9-G117 VanDerWaalsContact O-CA 3.32Å; A9-G117 WeakPolarHBondContact O-CA 3.49Å
10A98.4Very high84Confident30 Ų3091.8 Ų91.825%0.24854%0.535CS..G310 helixtrans-101.62.317600000113.2N7 P8 L82 A120N7-A10 HydrophobicContact CB-CB 4.15Å; N7-A10 WeakPolarHBondContact O-CB 3.42Å; N7-A10 PolarHBondContact O-N 3.29Å; P8-A10 PolarHBondContact O-N 3.24Å; A10-L82 WeakPolarHBondContact O-CD1 3.39Å; A10-A120 HydrophobicContact CB-CB 3.84Å
11V98.2Very high84.7Confident64 Ų6491.5 Ų91.539%0.38853%0.531SS..SBendtrans-92118.8176.5-178.80000109.3P8 H13P8-V11 PolarHBondContact O-N 3.48Å; V11-H13 PolarHBondContact O-N 3.07Å; V11-H13 PolarHBondContact O-ND1 3.22Å
12P98.4Very high87.6Confident45 Ų4583.7 Ų83.729%0.29249%0.494SS..  trans-65.4129.5177.927.8-34.6000110.6G79 L82 W83 K86P12-G79 WeakPolarHBondContact CA-O 3.3Å; P12-L82 HydrophobicContact CB-CB 4.01Å; P12-W83 HydrophobicContact CB-CB 4.1Å; P12-K86 HydrophobicContact CB-CD 4.17Å; P12-K86 HydrophobicContact CG-CD 4.06Å
13H98.2Very high90.5Very high78 Ų7883.3 Ų83.336%0.36148%0.476SS..  trans-147.2143.817257.4-81.4000110.1V11 G79 H80 W83V11-H13 PolarHBondContact O-N 3.07Å; V11-H13 PolarHBondContact O-ND1 3.22Å; H13-G79 PolarHBondContact N-O 2.65Å; H13-G79 VanDerWaalsContact N-O 3.17Å; H13-H80 AromaticContact CD2-CD2 3.4Å; H13-H80 PolarHBondContact CD2-CD2 3.06Å; H13-H80 AromaticContact CD2-NE2 3.53Å; H13-H80 AromaticContact NE2-CD2 3.32Å; H13-H80 PolarHBondContact NE2-CD2 3.32Å; H13-H80 VanDerWaalsContact NE2-CD2 3.32Å; H13-H80 AromaticContact NE2-NE2 3.31Å; H13-H80 PolarHBondContact NE2-NE2 2.71Å; H13-H80 WeakPolarHBondContact O-CA 3.38Å; H13-H80 PolarHBondContact O-CD2 3.45Å; H13-W83 VanDerWaalsContact O-CB 3.31Å; H13-W83 WeakPolarHBondContact O-CB 3.48Å
14A98.4Very high93.2Very high35 Ų3575.3 Ų75.329%0.28944%0.437SS..PPolyproline II helixtrans-74.3149.7171.600000109.9E16 W24 W83A14-E16 PolarHBondContact O-N 3.26Å; A14-W24 HydrophobicContact CB-CH2 3.89Å; A14-W24 HydrophobicContact CB-CZ3 3.66Å; A14-W83 HydrophobicContact CB-CD2 3.91Å; A14-W83 HydrophobicContact CB-CE3 4.36Å; A14-W83 HydrophobicContact CB-CG 4.27Å; A14-W83 HydrophobicContact CB-CH2 4.48Å; A14-W83 HydrophobicContact CB-CZ2 4.04Å
15A98.1Very high95.6Very high27 Ų2774.4 Ų74.422%0.22342%0.417CS..PPolyproline II helixtrans-73.6121.7169.900000109.2W24A15-W24 HydrophobicContact CB-CD2 3.77Å; A15-W24 HydrophobicContact CB-CE3 4.4Å; A15-W24 HydrophobicContact CB-CG 3.81Å; A15-W24 HydrophobicContact CB-CZ2 4.33Å
16E98.1Very high97.7Very high173 Ų17369.4 Ų69.481%0.80840%0.396SS*.PPolyproline II helixtrans-68.4135.2177.2-65.8-177.8178.600110.9A14 I18A14-E16 PolarHBondContact O-N 3.26Å; E16-I18 PolarHBondContact O-N 3.07Å
17D98.3Very high98.3Very high70 Ų7067.2 Ų67.237%0.37438%0.375SS..  trans-78.4101.9172.9-179.519.3000110.8Q19 G20 D21 D22D17-Q19 PolarHBondContact OD1-N 3.18Å; D17-G20 VanDerWaalsContact CG-N 3.3Å; D17-G20 PolarHBondContact OD1-N 3.25Å; D17-G20 WeakPolarHBondContact OD2-CA 3.21Å; D17-G20 PolarHBondContact OD2-N 2.9Å; D17-G20 VanDerWaalsContact OD2-N 3.13Å; D17-D21 PolarHBondContact OD2-N 2.92Å; D17-D22 WeakPolarHBondContact OD2-CA 3.48Å; D17-D22 PolarHBondContact OD2-N 3.31Å
18I98.1Very high98.4Very high146 Ų14665.8 Ų65.875%0.74937%0.367SS*.SBendtrans-96.80175.362.8167.7000113.2E16E16-I18 PolarHBondContact O-N 3.07Å
19Q98.1Very high98.4Very high132 Ų13267 Ų6762%0.61737%0.371SS*.SBendtrans-108.7-24.1-177.9-60-167.91600112.8D17 R23D17-Q19 PolarHBondContact OD1-N 3.18Å; Q19-R23 VanDerWaalsContact OE1-CZ 3.27Å
20G98.2Very high98.5Very high68 Ų6872.4 Ų72.470%0.70139%0.391SS*.SBendtrans93.412.9172.200000115D17D17-G20 VanDerWaalsContact CG-N 3.3Å; D17-G20 PolarHBondContact OD1-N 3.25Å; D17-G20 WeakPolarHBondContact OD2-CA 3.21Å; D17-G20 PolarHBondContact OD2-N 2.9Å; D17-G20 VanDerWaalsContact OD2-N 3.13Å
21D98.4Very high98.5Very high85 Ų8571 Ų7146%0.45538%0.379SS..SBendtrans-108.1-0.9179.570.211000114.3D17 R23D17-D21 PolarHBondContact OD2-N 2.92Å; D21-R23 VanDerWaalsContact CG-NH1 3.33Å; D21-R23 PolarHBondContact O-N 3.5Å; D21-R23 WeakPolarHBondContact OD1-CB 3.27Å; D21-R23 WeakPolarHBondContact OD1-CG 3.29Å; D21-R23 IonicContact OD1-CZ 3.82Å; D21-R23 PolarHBondContact OD1-N 3.13Å; D21-R23 IonicContact OD1-NH1 3.81Å; D21-R23 PolarHBondContact OD1-NH1 3.11Å; D21-R23 IonicContact OD2-CZ 3.3Å; D21-R23 IonicContact OD2-NH1 2.68Å; D21-R23 PolarHBondContact OD2-NH1 2.96Å
22D98.4Very high98.5Very high78 Ų7869.3 Ų69.342%0.41737%0.369SS..  trans50.227177.5-161.236.8000114.7D17 W24 M25 S26D17-D22 WeakPolarHBondContact OD2-CA 3.48Å; D17-D22 PolarHBondContact OD2-N 3.31Å; D22-W24 VanDerWaalsContact C-N 3.33Å; D22-W24 PolarHBondContact O-N 3.37Å; D22-M25 PolarHBondContact O-N 2.75Å; D22-M25 WeakPolarHBondContact OD1-CB 3.41Å; D22-S26 WeakPolarHBondContact O-CB 3.41Å; D22-S26 PolarHBondContact O-N 3.27Å; D22-S26 PolarHBondContact O-OG 2.97Å
23R98.7Very high98.5Very high106 Ų10671.5 Ų71.540%0.438%0.377SS..Hα-helixtrans-68.7-28.9-171.269.7-176.7175.4-104.8-0.7114Q19 D21 Q27Q19-R23 VanDerWaalsContact OE1-CZ 3.27Å; D21-R23 VanDerWaalsContact CG-NH1 3.33Å; D21-R23 PolarHBondContact O-N 3.5Å; D21-R23 WeakPolarHBondContact OD1-CB 3.27Å; D21-R23 WeakPolarHBondContact OD1-CG 3.29Å; D21-R23 IonicContact OD1-CZ 3.82Å; D21-R23 PolarHBondContact OD1-N 3.13Å; D21-R23 IonicContact OD1-NH1 3.81Å; D21-R23 PolarHBondContact OD1-NH1 3.11Å; D21-R23 IonicContact OD2-CZ 3.3Å; D21-R23 IonicContact OD2-NH1 2.68Å; D21-R23 PolarHBondContact OD2-NH1 2.96Å; R23-Q27 VanDerWaalsContact O-CG 3.31Å; R23-Q27 WeakPolarHBondContact O-CG 3.47Å; R23-Q27 PolarHBondContact O-N 3.22Å; R23-Q27 PolarHBondContact O-NE2 3.33Å
24W98.8Very high98.5Very high26 Ų2669.2 Ų69.210%0.09837%0.368CS..Hα-helixtrans-65.4-46.2176.9-173.689.9000109.8A14 A15 D22 Q27 H28 D76 H80 W83 R84A14-W24 HydrophobicContact CB-CH2 3.89Å; A14-W24 HydrophobicContact CB-CZ3 3.66Å; A15-W24 HydrophobicContact CB-CD2 3.77Å; A15-W24 HydrophobicContact CB-CE3 4.4Å; A15-W24 HydrophobicContact CB-CG 3.81Å; A15-W24 HydrophobicContact CB-CZ2 4.33Å; D22-W24 VanDerWaalsContact C-N 3.33Å; D22-W24 PolarHBondContact O-N 3.37Å; W24-Q27 PolarHBondContact O-N 3.37Å; W24-H28 PolarHBondContact O-N 3.28Å; W24-H28 VanDerWaalsContact O-N 3.08Å; W24-D76 PolarHBondContact NE1-OD1 3.37Å; W24-H80 HydrophobicContact CZ2-CB 4.08Å; W24-W83 HydrophobicContact CH2-CD2 4.16Å; W24-W83 AromaticContact CH2-CE3 3.43Å; W24-W83 HydrophobicContact CH2-CE3 3.43Å; W24-W83 VanDerWaalsContact CH2-CE3 3.43Å; W24-W83 AromaticContact CH2-CZ3 3.75Å; W24-W83 HydrophobicContact CH2-CZ3 3.75Å; W24-W83 AromaticContact CZ3-CE3 3.91Å; W24-W83 HydrophobicContact CZ3-CE3 3.91Å; W24-W83 HydrophobicContact CZ3-CH2 4.38Å; W24-W83 AromaticContact CZ3-CZ3 3.75Å; W24-W83 HydrophobicContact CZ3-CZ3 3.75Å; W24-R84 HydrophobicContact CH2-CG 3.78Å; W24-R84 HydrophobicContact CZ2-CG 3.61Å
25M98.8Very high98.5Very high40 Ų4067.6 Ų67.620%0.19736%0.355CS..Hα-helixtrans-69.6-37.8179.9-142.652.2-90.500111.7D22 Q27 H28 N29 W83D22-M25 PolarHBondContact O-N 2.75Å; D22-M25 WeakPolarHBondContact OD1-CB 3.41Å; M25-Q27 PolarHBondContact O-N 2.88Å; M25-H28 HydrophobicContact CE-CB 3.41Å; M25-H28 VanDerWaalsContact CE-CB 3.41Å; M25-H28 WeakPolarHBondContact CE-CD2 3.43Å; M25-H28 PolarHBondContact O-N 3.22Å; M25-N29 WeakPolarHBondContact O-CB 3.45Å; M25-N29 PolarHBondContact O-N 2.85Å; M25-N29 PolarHBondContact O-ND2 3.42Å; M25-W83 HydrophobicContact CE-CH2 3.8Å; M25-W83 HydrophobicContact CE-CZ3 3.79Å; M25-W83 HydrophobicContact SD-CH2 4.03Å; M25-W83 HydrophobicContact SD-CZ3 4.33Å
26S98.9Very high98.4Very high64 Ų6472.7 Ų72.745%0.44837%0.372SS..Hα-helixtrans-58.6-42.6172.3-63.60000112.8D22 R30D22-S26 WeakPolarHBondContact O-CB 3.41Å; D22-S26 PolarHBondContact O-N 3.27Å; D22-S26 PolarHBondContact O-OG 2.97Å; S26-R30 PolarHBondContact O-N 3.46Å; S26-R30 VanDerWaalsContact O-N 3.11Å
27Q98.9Very high98.2Very high43 Ų4370.3 Ų70.320%0.20136%0.364CS..Hα-helixtrans-66.8-44.9176.9-75.2169.999.600112.1R23 W24 M25 R30 F31 I73R23-Q27 VanDerWaalsContact O-CG 3.31Å; R23-Q27 WeakPolarHBondContact O-CG 3.47Å; R23-Q27 PolarHBondContact O-N 3.22Å; R23-Q27 PolarHBondContact O-NE2 3.33Å; W24-Q27 PolarHBondContact O-N 3.37Å; M25-Q27 PolarHBondContact O-N 2.88Å; Q27-R30 WeakPolarHBondContact O-CB 3.33Å; Q27-R30 PolarHBondContact O-N 3Å; Q27-F31 VanDerWaalsContact O-CD2 3.32Å; Q27-F31 WeakPolarHBondContact O-CD2 3.34Å; Q27-F31 WeakPolarHBondContact O-CG 3.32Å; Q27-F31 PolarHBondContact O-N 2.95Å; Q27-F31 VanDerWaalsContact O-N 3.11Å; Q27-I73 HydrophobicContact CB-CD1 3.87Å; Q27-I73 HydrophobicContact CB-CG1 4.35Å
28H98.9Very high98.1Very high8 Ų871.5 Ų71.54%0.03737%0.366CS..Hα-helixtrans-58.5-47.3174.3169.276.2000112W24 M25 R30 F31 V32 W83 N87 E89W24-H28 PolarHBondContact O-N 3.28Å; W24-H28 VanDerWaalsContact O-N 3.08Å; M25-H28 HydrophobicContact CE-CB 3.41Å; M25-H28 VanDerWaalsContact CE-CB 3.41Å; M25-H28 WeakPolarHBondContact CE-CD2 3.43Å; M25-H28 PolarHBondContact O-N 3.22Å; H28-R30 VanDerWaalsContact C-N 3.25Å; H28-R30 PolarHBondContact O-N 3.05Å; H28-F31 WeakPolarHBondContact O-CA 3.45Å; H28-F31 WeakPolarHBondContact O-CB 3.46Å; H28-F31 PolarHBondContact O-N 3.23Å; H28-V32 WeakPolarHBondContact NE2-CG2 3.45Å; H28-V32 PolarHBondContact O-N 3.48Å; H28-W83 AromaticContact CD2-CZ3 3.99Å; H28-W83 AromaticContact CE1-CZ3 3.87Å; H28-W83 AromaticContact NE2-CZ3 3.78Å; H28-N87 PolarHBondContact CE1-O 2.92Å; H28-N87 PolarHBondContact NE2-O 3.44Å; H28-N87 VanDerWaalsContact NE2-O 3.15Å; H28-E89 IonicContact CE1-OE1 3.55Å; H28-E89 IonicContact CG-OE1 3.47Å; H28-E89 IonicContact ND1-OE1 3.87Å; H28-E89 PolarHBondContact ND1-OE1 3.11Å
29N98.8Very high98Very high88 Ų8873.1 Ų73.147%0.47137%0.371SS..Hα-helixtrans-60.1-36.7179.1-70.7-23.5000112.1M25 V32 L33M25-N29 WeakPolarHBondContact O-CB 3.45Å; M25-N29 PolarHBondContact O-N 2.85Å; M25-N29 PolarHBondContact O-ND2 3.42Å; N29-V32 PolarHBondContact O-N 2.91Å; N29-L33 PolarHBondContact O-N 3.29Å
30R98.8Very high98Very high115 Ų11567.1 Ų67.143%0.43434%0.343SS..Hα-helixtrans-61.7-43.2171.8-178.3-167.966.8179.7-2.6111.5S26 Q27 H28 L33 D34S26-R30 PolarHBondContact O-N 3.46Å; S26-R30 VanDerWaalsContact O-N 3.11Å; Q27-R30 WeakPolarHBondContact O-CB 3.33Å; Q27-R30 PolarHBondContact O-N 3Å; H28-R30 VanDerWaalsContact C-N 3.25Å; H28-R30 PolarHBondContact O-N 3.05Å; R30-L33 WeakPolarHBondContact O-CB 3.49Å; R30-L33 PolarHBondContact O-N 3.11Å; R30-D34 PolarHBondContact O-N 3.35Å
31F98.8Very high98Very high0 Ų065.8 Ų65.80%032%0.32CS..Hα-helixtrans-66.3-40.7178.3-60.5-34.7000112.6Q27 H28 L33 D34 C35 N70 F71 I73 E89Q27-F31 VanDerWaalsContact O-CD2 3.32Å; Q27-F31 WeakPolarHBondContact O-CD2 3.34Å; Q27-F31 WeakPolarHBondContact O-CG 3.32Å; Q27-F31 PolarHBondContact O-N 2.95Å; Q27-F31 VanDerWaalsContact O-N 3.11Å; H28-F31 WeakPolarHBondContact O-CA 3.45Å; H28-F31 WeakPolarHBondContact O-CB 3.46Å; H28-F31 PolarHBondContact O-N 3.23Å; F31-L33 VanDerWaalsContact C-N 3.25Å; F31-L33 PolarHBondContact O-N 2.89Å; F31-D34 WeakPolarHBondContact O-CB 3.48Å; F31-D34 PolarHBondContact O-N 2.99Å; F31-C35 PolarHBondContact O-N 3.08Å; F31-C35 PolarHBondContact O-SG 2.89Å; F31-N70 WeakPolarHBondContact CE1-O 3.28Å; F31-F71 HydrophobicContact CB-CD1 3.69Å; F31-F71 HydrophobicContact CB-CD2 4.03Å; F31-F71 HydrophobicContact CB-CE1 3.68Å; F31-F71 HydrophobicContact CB-CE2 4.03Å; F31-F71 HydrophobicContact CB-CG 3.88Å; F31-F71 HydrophobicContact CB-CZ 3.86Å; F31-F71 HydrophobicContact CD1-CB 4.38Å; F31-F71 AromaticContact CD1-CD1 3.13Å; F31-F71 HydrophobicContact CD1-CD1 3.13Å; F31-F71 AromaticContact CD1-CE1 3.52Å; F31-F71 HydrophobicContact CD1-CE1 3.52Å; F31-F71 AromaticContact CD1-CG 3.9Å; F31-F71 HydrophobicContact CD1-CG 3.9Å; F31-F71 HydrophobicContact CD2-CB 3.92Å; F31-F71 HydrophobicContact CD2-CD1 4.11Å; F31-F71 HydrophobicContact CD2-CG 4.03Å; F31-F71 HydrophobicContact CE1-CB 4.44Å; F31-F71 AromaticContact CE1-CD1 3.62Å; F31-F71 HydrophobicContact CE1-CD1 3.62Å; F31-F71 HydrophobicContact CE1-CE1 4.33Å; F31-F71 HydrophobicContact CE1-CG 4.35Å; F31-F71 HydrophobicContact CE2-CB 4.05Å; F31-F71 HydrophobicContact CG-CB 4.11Å; F31-F71 AromaticContact CG-CD1 3.4Å; F31-F71 HydrophobicContact CG-CD1 3.4Å; F31-F71 HydrophobicContact CG-CD2 4.34Å; F31-F71 AromaticContact CG-CE1 3.83Å; F31-F71 HydrophobicContact CG-CE1 3.83Å; F31-F71 AromaticContact CG-CG 3.7Å; F31-F71 HydrophobicContact CG-CG 3.7Å; F31-F71 HydrophobicContact CG-CZ 4.48Å; F31-F71 HydrophobicContact CZ-CB 4.32Å; F31-F71 HydrophobicContact CZ-CD1 4.33Å; F31-F71 WeakPolarHBondContact O-CZ 3.33Å; F31-I73 HydrophobicContact CD2-CD1 4.44Å; F31-I73 HydrophobicContact CE2-CD1 3.88Å; F31-I73 HydrophobicContact CE2-CG1 3.64Å; F31-I73 HydrophobicContact CZ-CG1 4.39Å; F31-E89 HydrophobicContact CB-CG 3.86Å
32V98.8Very high98Very high28 Ų2861.7 Ų61.717%0.1730%0.298CS..Hα-helixtrans-61.3-35.4172.1174.10000111.6H28 N29 E89H28-V32 WeakPolarHBondContact NE2-CG2 3.45Å; H28-V32 PolarHBondContact O-N 3.48Å; N29-V32 PolarHBondContact O-N 2.91Å; V32-E89 HydrophobicContact CG2-CG 4.18Å
33L98.6Very high98.1Very high91 Ų9158 Ų5848%0.47628%0.278SS..Hα-helixtrans-69.2-45.4173.3-176.665000111.8N29 R30 F31 C35 K36 D37N29-L33 PolarHBondContact O-N 3.29Å; R30-L33 WeakPolarHBondContact O-CB 3.49Å; R30-L33 PolarHBondContact O-N 3.11Å; F31-L33 VanDerWaalsContact C-N 3.25Å; F31-L33 PolarHBondContact O-N 2.89Å; L33-C35 PolarHBondContact O-N 3.28Å; L33-K36 WeakPolarHBondContact O-CB 3.41Å; L33-K36 PolarHBondContact O-N 2.92Å; L33-D37 PolarHBondContact O-N 3.15Å
34D98.4Very high98.1Very high30 Ų3053.1 Ų53.116%0.1626%0.26CS..Hα-helixtrans-55.4-38.5175.4-79.6-32.7000111.5R30 F31 K36 D37 K38 L69 F71R30-D34 PolarHBondContact O-N 3.35Å; F31-D34 WeakPolarHBondContact O-CB 3.48Å; F31-D34 PolarHBondContact O-N 2.99Å; D34-K36 PolarHBondContact O-N 3.39Å; D34-D37 PolarHBondContact O-N 3.02Å; D34-K38 HydrophobicContact CB-CD 4.26Å; D34-K38 VanDerWaalsContact O-CB 3.29Å; D34-K38 WeakPolarHBondContact O-CB 3.47Å; D34-K38 PolarHBondContact O-N 3.2Å; D34-K38 WeakPolarHBondContact OD1-CE 3.39Å; D34-K38 IonicContact OD1-NZ 2.7Å; D34-K38 PolarHBondContact OD1-NZ 3.15Å; D34-K38 IonicContact OD2-NZ 3.82Å; D34-L69 HydrophobicContact CB-CD1 4.22Å; D34-F71 HydrophobicContact CB-CE1 4.11Å; D34-F71 HydrophobicContact CB-CZ 4.24Å
35C97.4Very high98.1Very high2 Ų251.9 Ų51.91%0.01426%0.255CS..Hα-helixtrans-62-25.5174.8-76.40000114.4F31 L33 F71 E89 E91 N92 I93F31-C35 PolarHBondContact O-N 3.08Å; F31-C35 PolarHBondContact O-SG 2.89Å; L33-C35 PolarHBondContact O-N 3.28Å; C35-F71 VanDerWaalsContact SG-CE2 3.52Å; C35-E89 PolarHBondContact SG-O 3.07Å; C35-E91 WeakPolarHBondContact CB-O 3.46Å; C35-N92 WeakPolarHBondContact O-CB 3.49Å; C35-I93 HydrophobicContact CB-CG2 4.09Å; C35-I93 WeakPolarHBondContact O-CG2 3.37Å
36K95.9Very high98.1Very high134 Ų13450 Ų5058%0.58325%0.246SC*.Hα-helixtrans-83.1-31.8178.7-66.7174.4-176.9177.20112.5L33 D34L33-K36 WeakPolarHBondContact O-CB 3.41Å; L33-K36 PolarHBondContact O-N 2.92Å; D34-K36 PolarHBondContact O-N 3.39Å
37D93.7Very high98.1Very high122 Ų12247 Ų4765%0.65223%0.225SC*.Hα-helixtrans-105.8-7.7-167.9-63.1-24000113.3L33 D34L33-D37 PolarHBondContact O-N 3.15Å; D34-D37 PolarHBondContact O-N 3.02Å
38K95.9Very high98.1Very high95 Ų9545.2 Ų45.241%0.41322%0.218SC..  trans-133.8154.1-173.1-58.3175.2178.1164.90112.2D34 L69 I93D34-K38 HydrophobicContact CB-CD 4.26Å; D34-K38 VanDerWaalsContact O-CB 3.29Å; D34-K38 WeakPolarHBondContact O-CB 3.47Å; D34-K38 PolarHBondContact O-N 3.2Å; D34-K38 WeakPolarHBondContact OD1-CE 3.39Å; D34-K38 IonicContact OD1-NZ 2.7Å; D34-K38 PolarHBondContact OD1-NZ 3.15Å; D34-K38 IonicContact OD2-NZ 3.82Å; K38-L69 HydrophobicContact CB-CD1 4.39Å; K38-L69 HydrophobicContact CD-CD1 4.43Å; K38-L69 HydrophobicContact CD-CD2 3.72Å; K38-I93 WeakPolarHBondContact O-CG2 3.43Å
39E96.6Very high98.1Very high180 Ų18045.2 Ų45.284%0.84122%0.218SC*.  trans-125.282.1179.9-64.2-179.2176.100109.8
40P98.2Very high98.1Very high6 Ų641.1 Ų41.14%0.03920%0.196CC..  trans-76.6142.1-176.331.4-36.4000112.8H67 L69 I93 P95P40-H67 WeakPolarHBondContact CA-O 3.33Å; P40-H67 VanDerWaalsContact CB-O 3.27Å; P40-H67 WeakPolarHBondContact CB-O 3.41Å; P40-L69 HydrophobicContact CB-CB 4.29Å; P40-L69 HydrophobicContact CB-CD1 4.21Å; P40-L69 HydrophobicContact CB-CG 3.96Å; P40-L69 HydrophobicContact CG-CD1 3.86Å; P40-L69 HydrophobicContact CG-CG 4.18Å; P40-I93 HydrophobicContact CG-CB 4.13Å; P40-I93 HydrophobicContact CG-CD1 4.26Å; P40-I93 HydrophobicContact CG-CG2 4.11Å; P40-P95 VanDerWaalsContact O-CA 3.3Å; P40-P95 WeakPolarHBondContact O-CA 3.35Å
41D98.4Very high98.1Very high40 Ų4037.8 Ų37.821%0.21419%0.185CC..SBendtrans-79.2-30165-72.9-60.4000111.3H67 K96 V97 L217D41-H67 HydrophobicContact CB-CB 4.47Å; D41-H67 PolarHBondContact N-O 3.46Å; D41-H67 IonicContact OD2-CE1 3.97Å; D41-H67 IonicContact OD2-CG 3.76Å; D41-H67 IonicContact OD2-ND1 2.92Å; D41-H67 PolarHBondContact OD2-ND1 2.8Å; D41-K96 HydrophobicContact CB-CD 4.48Å; D41-K96 PolarHBondContact O-N 2.96Å; D41-K96 WeakPolarHBondContact OD1-CD 3.2Å; D41-K96 VanDerWaalsContact OD1-CE 3.29Å; D41-K96 WeakPolarHBondContact OD1-CE 3.43Å; D41-K96 IonicContact OD1-NZ 3.2Å; D41-K96 PolarHBondContact OD1-NZ 3.07Å; D41-V97 PolarHBondContact O-N 3.21Å; D41-V97 VanDerWaalsContact O-N 3.14Å; D41-L217 HydrophobicContact CB-CD2 4.39Å
42V98.9Very high98.1Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-128.7133.8-178.2-172.10000110.8F44 L66 A68 L69 V97 V99 I213 L217V42-F44 HydrophobicContact CG1-CD2 3.98Å; V42-F44 HydrophobicContact CG1-CE2 3.52Å; V42-F44 HydrophobicContact CG1-CZ 4.35Å; V42-L66 HydrophobicContact CG2-CB 3.99Å; V42-A68 HydrophobicContact CB-CB 4.04Å; V42-A68 CarbonylContact O-C 3.51Å; V42-A68 WeakPolarHBondContact O-CA 3.47Å; V42-L69 PolarHBondContact O-N 3.29Å; V42-V97 CarbonylContact C-O 3.4Å; V42-V97 WeakPolarHBondContact CA-O 3.33Å; V42-V97 HydrophobicContact CG1-CB 4.38Å; V42-V97 HydrophobicContact CG2-CB 4.45Å; V42-V99 HydrophobicContact CG1-CG2 4.47Å; V42-I213 HydrophobicContact CG1-CD1 4.42Å; V42-I213 HydrophobicContact CG1-CG2 4.37Å; V42-I213 HydrophobicContact CG2-CG2 3.81Å; V42-L217 HydrophobicContact CG2-CD1 4.04Å; V42-L217 HydrophobicContact CG2-CD2 4.27Å
43L98.9Very high98Very high0 Ų038.9 Ų38.90%019%0.19CC..EExtended strand (participates in β ladder)trans-122.4126.3175.7177.666.7000110.7V45 L69 F71 L90 I93 P95 V97 I98 V99L43-V45 HydrophobicContact CD1-CG1 4.43Å; L43-V45 HydrophobicContact CD2-CG1 3.99Å; L43-V45 HydrophobicContact CG-CG1 3.95Å; L43-L69 HydrophobicContact CD1-CB 3.72Å; L43-F71 HydrophobicContact CD1-CD1 4.31Å; L43-F71 HydrophobicContact CD1-CD2 3.6Å; L43-F71 HydrophobicContact CD1-CE1 4.41Å; L43-F71 HydrophobicContact CD1-CE2 3.69Å; L43-F71 HydrophobicContact CD1-CG 3.92Å; L43-F71 HydrophobicContact CD1-CZ 4.12Å; L43-F71 HydrophobicContact CD2-CD2 4.48Å; L43-L90 HydrophobicContact CD2-CD2 3.81Å; L43-I93 HydrophobicContact CD2-CD1 3.86Å; L43-P95 HydrophobicContact CB-CB 3.97Å; L43-P95 HydrophobicContact CB-CG 4.08Å; L43-P95 HydrophobicContact CD2-CG 4.46Å; L43-V97 PolarHBondContact N-O 2.91Å; L43-I98 HydrophobicContact CB-CG1 4.23Å; L43-I98 CarbonylContact O-C 3.54Å; L43-I98 VanDerWaalsContact O-CA 3.27Å; L43-I98 WeakPolarHBondContact O-CA 3.2Å; L43-V99 PolarHBondContact O-N 2.95Å
44F98.9Very high98Very high3 Ų338.2 Ų38.21%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-102129.7171.9-69.9-110.3000109.9V42 V50 L53 W59 F63 A68 L69 F71 V99 L209 I213V42-F44 HydrophobicContact CG1-CD2 3.98Å; V42-F44 HydrophobicContact CG1-CE2 3.52Å; V42-F44 HydrophobicContact CG1-CZ 4.35Å; F44-V50 HydrophobicContact CB-CG1 3.66Å; F44-L53 HydrophobicContact CE1-CD2 4.28Å; F44-W59 HydrophobicContact CD1-CZ3 4.26Å; F44-W59 AromaticContact CD2-CH2 3.61Å; F44-W59 HydrophobicContact CD2-CH2 3.61Å; F44-W59 AromaticContact CD2-CZ3 3.77Å; F44-W59 HydrophobicContact CD2-CZ3 3.77Å; F44-W59 HydrophobicContact CE1-CZ3 4.29Å; F44-W59 AromaticContact CE2-CH2 3.91Å; F44-W59 HydrophobicContact CE2-CH2 3.91Å; F44-W59 AromaticContact CE2-CZ3 3.83Å; F44-W59 HydrophobicContact CE2-CZ3 3.83Å; F44-W59 HydrophobicContact CG-CH2 4.12Å; F44-W59 HydrophobicContact CG-CZ3 4.01Å; F44-W59 HydrophobicContact CZ-CZ3 4.1Å; F44-F63 HydrophobicContact CE2-CB 4.41Å; F44-F63 HydrophobicContact CE2-CD1 4.24Å; F44-F63 HydrophobicContact CE2-CG 4.33Å; F44-F63 HydrophobicContact CZ-CB 4.48Å; F44-F63 AromaticContact CZ-CD1 3.66Å; F44-F63 HydrophobicContact CZ-CD1 3.66Å; F44-F63 HydrophobicContact CZ-CD2 4.42Å; F44-F63 AromaticContact CZ-CE1 3.93Å; F44-F63 HydrophobicContact CZ-CE1 3.93Å; F44-F63 AromaticContact CZ-CG 3.93Å; F44-F63 HydrophobicContact CZ-CG 3.93Å; F44-F63 HydrophobicContact CZ-CZ 4.44Å; F44-A68 HydrophobicContact CD2-CB 4.27Å; F44-A68 HydrophobicContact CE2-CB 4.02Å; F44-L69 PolarHBondContact N-O 3.48Å; F44-F71 WeakPolarHBondContact O-CA 3.33Å; F44-F71 PolarHBondContact O-N 3.35Å; F44-V99 WeakPolarHBondContact CA-O 3.21Å; F44-V99 HydrophobicContact CD1-CB 3.67Å; F44-V99 HydrophobicContact CD1-CG1 3.82Å; F44-V99 HydrophobicContact CD1-CG2 4.06Å; F44-V99 HydrophobicContact CE1-CB 3.95Å; F44-V99 HydrophobicContact CE1-CG1 3.97Å; F44-V99 HydrophobicContact CE1-CG2 3.86Å; F44-V99 HydrophobicContact CE2-CG2 4.36Å; F44-V99 HydrophobicContact CG-CB 4.06Å; F44-V99 HydrophobicContact CG-CG2 4.4Å; F44-V99 HydrophobicContact CZ-CG2 4.01Å; F44-L209 HydrophobicContact CE1-CD2 3.84Å; F44-L209 HydrophobicContact CZ-CD2 4.46Å; F44-I213 HydrophobicContact CE2-CD1 4.43Å; F44-I213 HydrophobicContact CZ-CD1 3.75Å
45V98.9Very high98Very high0 Ų043.4 Ų43.40%021%0.208CC..EExtended strand (participates in β ladder)trans-132.1138177.6-65.30000109.6L43 F71 L85 I98 V99 V100 W101L43-V45 HydrophobicContact CD1-CG1 4.43Å; L43-V45 HydrophobicContact CD2-CG1 3.99Å; L43-V45 HydrophobicContact CG-CG1 3.95Å; V45-F71 HydrophobicContact CG1-CB 4.01Å; V45-F71 HydrophobicContact CG1-CD2 4.43Å; V45-L85 HydrophobicContact CB-CD2 4.41Å; V45-L85 HydrophobicContact CG1-CD2 3.82Å; V45-I98 HydrophobicContact CG2-CG2 4.16Å; V45-V99 PolarHBondContact N-O 3.34Å; V45-V100 HydrophobicContact CG2-CB 4.39Å; V45-V100 HydrophobicContact CG2-CG2 3.83Å; V45-V100 WeakPolarHBondContact O-CA 3.34Å; V45-W101 PolarHBondContact O-N 2.98Å
46G98.9Very high98Very high0 Ų046.4 Ų46.40%022%0.219CC..EExtended strand (participates in β ladder)trans162.6-154.1179.700000115.1G72 I73 R84 W101G46-G72 WeakPolarHBondContact O-CA 3.27Å; G46-I73 PolarHBondContact O-N 3.22Å; G46-I73 VanDerWaalsContact O-N 3.08Å; G46-R84 PolarHBondContact O-NH2 3.22Å; G46-R84 VanDerWaalsContact O-NH2 3.11Å; G46-W101 WeakPolarHBondContact CA-O 3.41Å
47D98.9Very high98.1Very high1 Ų144.9 Ų44.91%0.00521%0.214CC..SBendtrans-95-154.3-176.963.933.5000113.1M49 V50 Q51 I73 D76 W101 V102 N105D47-M49 PolarHBondContact O-N 3.41Å; D47-M49 VanDerWaalsContact OD1-CB 3.32Å; D47-M49 WeakPolarHBondContact OD1-CB 3.43Å; D47-M49 WeakPolarHBondContact OD1-CG 3.18Å; D47-M49 PolarHBondContact OD1-N 2.85Å; D47-V50 PolarHBondContact O-N 2.92Å; D47-V50 VanDerWaalsContact O-N 3.17Å; D47-Q51 PolarHBondContact O-N 2.8Å; D47-I73 CarbonylContact C-O 3.59Å; D47-I73 VanDerWaalsContact CA-O 3.25Å; D47-I73 WeakPolarHBondContact CA-O 3.01Å; D47-D76 HydrophobicContact CB-CB 4.33Å; D47-W101 PolarHBondContact N-O 3.39Å; D47-W101 VanDerWaalsContact N-O 3.11Å; D47-V102 HydrophobicContact CB-CG2 4.38Å; D47-N105 WeakPolarHBondContact CB-ND2 3.46Å
48S98.8Very high98.3Very high7 Ų740.2 Ų40.25%0.04919%0.189CC..Hα-helixtrans-59.9-27.9178.250.10000112.9V50 Q51 L52 H196S48-V50 VanDerWaalsContact C-N 3.25Å; S48-V50 PolarHBondContact O-N 2.91Å; S48-Q51 PolarHBondContact O-N 2.8Å; S48-L52 VanDerWaalsContact O-CB 3.3Å; S48-L52 WeakPolarHBondContact O-CB 3.3Å; S48-L52 WeakPolarHBondContact O-CG 3.31Å; S48-L52 PolarHBondContact O-N 2.75Å; S48-H196 WeakPolarHBondContact CB-NE2 3.48Å; S48-H196 PolarHBondContact OG-CD2 3.49Å; S48-H196 PolarHBondContact OG-NE2 2.94Å
49M98.6Very high98.4Very high7 Ų736.1 Ų36.13%0.03417%0.171CC..Hα-helixtrans-64.4-35.4179.1-55.2-54.8-68.600111.1D47 W101 L140 L197 Y202D47-M49 PolarHBondContact O-N 3.41Å; D47-M49 VanDerWaalsContact OD1-CB 3.32Å; D47-M49 WeakPolarHBondContact OD1-CB 3.43Å; D47-M49 WeakPolarHBondContact OD1-CG 3.18Å; D47-M49 PolarHBondContact OD1-N 2.85Å; M49-W101 HydrophobicContact CB-CD2 3.8Å; M49-W101 HydrophobicContact CB-CE3 3.6Å; M49-W101 HydrophobicContact CB-CH2 4.18Å; M49-W101 HydrophobicContact CB-CZ2 4.37Å; M49-W101 HydrophobicContact CB-CZ3 3.8Å; M49-W101 HydrophobicContact CE-CH2 4.22Å; M49-W101 HydrophobicContact CE-CZ2 4.35Å; M49-L140 HydrophobicContact CE-CD1 3.8Å; M49-L197 HydrophobicContact CE-CD1 3.85Å; M49-L197 HydrophobicContact CE-CG 3.8Å; M49-Y202 WeakPolarHBondContact O-CE1 3.49Å; M49-Y202 PolarHBondContact O-OH 3.04Å
50V98.8Very high98.5Very high2 Ų235.1 Ų35.11%0.01216%0.159CC..Hα-helixtrans-77.2-47.5172.41780000110.8F44 D47 S48 L52 L53 N70 W101F44-V50 HydrophobicContact CB-CG1 3.66Å; D47-V50 PolarHBondContact O-N 2.92Å; D47-V50 VanDerWaalsContact O-N 3.17Å; S48-V50 VanDerWaalsContact C-N 3.25Å; S48-V50 PolarHBondContact O-N 2.91Å; V50-L52 PolarHBondContact O-N 3.03Å; V50-L53 WeakPolarHBondContact O-CB 3.42Å; V50-L53 PolarHBondContact O-N 3.14Å; V50-N70 WeakPolarHBondContact CG1-OD1 3.4Å; V50-N70 PolarHBondContact O-ND2 2.93Å; V50-N70 PolarHBondContact O-OD1 3.14Å; V50-W101 HydrophobicContact CG2-CB 3.62Å; V50-W101 HydrophobicContact CG2-CE3 4.31Å
51Q98.8Very high98.5Very high46 Ų4640.9 Ų40.922%0.21519%0.185CC..Hα-helixtrans-59.1-48.9-175.6-173.2178.242.300112.4D47 S48 L53 Q54 G72D47-Q51 PolarHBondContact O-N 2.8Å; S48-Q51 PolarHBondContact O-N 2.8Å; Q51-L53 VanDerWaalsContact C-N 3.29Å; Q51-L53 PolarHBondContact O-N 3.3Å; Q51-Q54 PolarHBondContact O-N 2.68Å; Q51-G72 WeakPolarHBondContact CG-O 3.31Å
52L98.7Very high98.5Very high48 Ų4840.9 Ų40.925%0.25119%0.185SC..Hα-helixtrans-71.3-25.5-175.3-68176.7000112.2S48 V50 Q54 Q55 Y56 H196 Y202S48-L52 VanDerWaalsContact O-CB 3.3Å; S48-L52 WeakPolarHBondContact O-CB 3.3Å; S48-L52 WeakPolarHBondContact O-CG 3.31Å; S48-L52 PolarHBondContact O-N 2.75Å; V50-L52 PolarHBondContact O-N 3.03Å; L52-Q54 PolarHBondContact O-N 2.74Å; L52-Q55 WeakPolarHBondContact O-CB 3.3Å; L52-Q55 PolarHBondContact O-N 3.43Å; L52-Y56 VanDerWaalsContact O-CD2 3.28Å; L52-Y56 WeakPolarHBondContact O-CD2 2.99Å; L52-H196 HydrophobicContact CD1-CB 4.01Å; L52-H196 VanDerWaalsContact CD1-CD2 3.46Å; L52-H196 WeakPolarHBondContact CD1-CD2 3.49Å; L52-Y202 HydrophobicContact CB-CE2 4.43Å; L52-Y202 WeakPolarHBondContact CB-OH 3.42Å
53L98.5Very high98.5Very high3 Ų340.9 Ų40.92%0.01619%0.185CC..Hα-helixtrans-54-40.7175.9172.958.7000111.3F44 V50 Q51 Q55 Y56 I58 W59 F63 Y202 C206F44-L53 HydrophobicContact CE1-CD2 4.28Å; V50-L53 WeakPolarHBondContact O-CB 3.42Å; V50-L53 PolarHBondContact O-N 3.14Å; Q51-L53 VanDerWaalsContact C-N 3.29Å; Q51-L53 PolarHBondContact O-N 3.3Å; L53-Q55 PolarHBondContact O-N 2.98Å; L53-Q55 VanDerWaalsContact O-N 3.15Å; L53-Y56 PolarHBondContact O-N 3.04Å; L53-I58 HydrophobicContact CD1-CG2 3.87Å; L53-W59 HydrophobicContact CD2-CE3 3.89Å; L53-W59 HydrophobicContact CD2-CZ3 4.11Å; L53-W59 HydrophobicContact CG-CE3 3.84Å; L53-W59 HydrophobicContact CG-CZ3 4.48Å; L53-W59 WeakPolarHBondContact O-CB 3.2Å; L53-F63 HydrophobicContact CD1-CE2 4.26Å; L53-F63 HydrophobicContact CD2-CD2 4.13Å; L53-F63 HydrophobicContact CD2-CE2 3.86Å; L53-F63 HydrophobicContact CG-CE2 4.47Å; L53-Y202 HydrophobicContact CB-CD1 4.22Å; L53-Y202 HydrophobicContact CB-CE1 3.67Å; L53-Y202 HydrophobicContact CD1-CD1 3.6Å; L53-Y202 HydrophobicContact CD1-CE1 3.98Å; L53-Y202 HydrophobicContact CD1-CG 4.07Å; L53-Y202 HydrophobicContact CG-CD1 4.42Å; L53-Y202 HydrophobicContact CG-CE1 4.33Å; L53-Y202 PolarHBondContact N-OH 3.22Å; L53-C206 WeakPolarHBondContact CD1-SG 3.38Å
54Q97.8Very high98.4Very high76 Ų7643.2 Ų43.236%0.35520%0.202SC..THydrogen-bonded Turntrans-63.4-19.8179.1-168.117525.700113.4Q51 L52 W59 N70Q51-Q54 PolarHBondContact O-N 2.68Å; L52-Q54 PolarHBondContact O-N 2.74Å; Q54-W59 HydrophobicContact CB-CD2 4.25Å; Q54-W59 HydrophobicContact CB-CG 4.32Å; Q54-W59 HydrophobicContact CG-CD2 4.21Å; Q54-W59 HydrophobicContact CG-CG 4.14Å; Q54-N70 HydrophobicContact CB-CB 4.48Å
55Q97.9Very high98.4Very high140 Ų14047 Ų4765%0.65423%0.227SC*.THydrogen-bonded Turntrans-86-7.1-178.5-53.1-55.2-50.900113.4L52 L53L52-Q55 WeakPolarHBondContact O-CB 3.3Å; L52-Q55 PolarHBondContact O-N 3.43Å; L53-Q55 PolarHBondContact O-N 2.98Å; L53-Q55 VanDerWaalsContact O-N 3.15Å
56Y98.2Very high98.3Very high65 Ų6547.9 Ų47.926%0.25523%0.231SC..SBendtrans-102.1148.2176.8-70.6-83.9000111.2L52 L53 I58 W59 L197 G199 Y202L52-Y56 VanDerWaalsContact O-CD2 3.28Å; L52-Y56 WeakPolarHBondContact O-CD2 2.99Å; L53-Y56 PolarHBondContact O-N 3.04Å; Y56-I58 PolarHBondContact O-N 3.08Å; Y56-I58 VanDerWaalsContact O-N 3.08Å; Y56-W59 WeakPolarHBondContact O-CB 3.36Å; Y56-W59 PolarHBondContact O-N 2.75Å; Y56-L197 PolarHBondContact OH-O 3.46Å; Y56-G199 VanDerWaalsContact CD1-CA 3.48Å; Y56-Y202 AromaticContact CD2-CD2 3.45Å; Y56-Y202 HydrophobicContact CD2-CD2 3.45Å; Y56-Y202 VanDerWaalsContact CD2-CD2 3.45Å; Y56-Y202 AromaticContact CD2-CE2 3.57Å; Y56-Y202 HydrophobicContact CD2-CE2 3.57Å; Y56-Y202 HydrophobicContact CD2-CG 4.48Å; Y56-Y202 AromaticContact CE2-CD2 3.51Å; Y56-Y202 HydrophobicContact CE2-CD2 3.51Å; Y56-Y202 AromaticContact CE2-CE2 3.38Å; Y56-Y202 HydrophobicContact CE2-CE2 3.38Å; Y56-Y202 HydrophobicContact CG-CD2 4.15Å
57E97.8Very high98.3Very high102 Ų10253.8 Ų53.848%0.47726%0.259SS..Hα-helixtrans-56.8-31-177-167.260.5-149.200112.6W59 R60 E61E57-W59 PolarHBondContact O-N 3.19Å; E57-R60 WeakPolarHBondContact O-CA 3.11Å; E57-R60 WeakPolarHBondContact O-CB 3.42Å; E57-R60 PolarHBondContact O-N 3.19Å; E57-R60 IonicContact OE1-CZ 3.73Å; E57-R60 IonicContact OE1-NE 3.94Å; E57-R60 IonicContact OE1-NH1 3.04Å; E57-R60 PolarHBondContact OE1-NH1 3.15Å; E57-R60 IonicContact OE2-NH1 3.36Å; E57-R60 PolarHBondContact OE2-NH1 3.12Å; E57-E61 HydrophobicContact CG-CG 4.38Å; E57-E61 PolarHBondContact O-N 3.1Å; E57-E61 VanDerWaalsContact O-N 3.07Å
58I97.9Very high98.3Very high23 Ų2354.5 Ų54.512%0.11827%0.265CS..Hα-helixtrans-56.4-27.4177.6-163.9164.7000113.6L53 Y56 E61 L62 A203 C206L53-I58 HydrophobicContact CD1-CG2 3.87Å; Y56-I58 PolarHBondContact O-N 3.08Å; Y56-I58 VanDerWaalsContact O-N 3.08Å; I58-E61 PolarHBondContact O-N 3.11Å; I58-L62 HydrophobicContact CD1-CD1 3.89Å; I58-L62 HydrophobicContact CG1-CD1 3.58Å; I58-L62 HydrophobicContact CG1-CG 3.93Å; I58-L62 WeakPolarHBondContact O-CB 3.48Å; I58-L62 PolarHBondContact O-N 2.81Å; I58-A203 HydrophobicContact CD1-CB 4.03Å; I58-C206 HydrophobicContact CD1-CB 3.55Å; I58-C206 HydrophobicContact CG1-CB 4.13Å
59W98.6Very high98.3Very high9 Ų955 Ų553%0.03427%0.266CS..Hα-helixtrans-65.6-42.8173.2174.6-89.8000112.2F44 L53 Q54 Y56 E57 E61 F63 S64 A68 N70F44-W59 HydrophobicContact CD1-CZ3 4.26Å; F44-W59 AromaticContact CD2-CH2 3.61Å; F44-W59 HydrophobicContact CD2-CH2 3.61Å; F44-W59 AromaticContact CD2-CZ3 3.77Å; F44-W59 HydrophobicContact CD2-CZ3 3.77Å; F44-W59 HydrophobicContact CE1-CZ3 4.29Å; F44-W59 AromaticContact CE2-CH2 3.91Å; F44-W59 HydrophobicContact CE2-CH2 3.91Å; F44-W59 AromaticContact CE2-CZ3 3.83Å; F44-W59 HydrophobicContact CE2-CZ3 3.83Å; F44-W59 HydrophobicContact CG-CH2 4.12Å; F44-W59 HydrophobicContact CG-CZ3 4.01Å; F44-W59 HydrophobicContact CZ-CZ3 4.1Å; L53-W59 HydrophobicContact CD2-CE3 3.89Å; L53-W59 HydrophobicContact CD2-CZ3 4.11Å; L53-W59 HydrophobicContact CG-CE3 3.84Å; L53-W59 HydrophobicContact CG-CZ3 4.48Å; L53-W59 WeakPolarHBondContact O-CB 3.2Å; Q54-W59 HydrophobicContact CB-CD2 4.25Å; Q54-W59 HydrophobicContact CB-CG 4.32Å; Q54-W59 HydrophobicContact CG-CD2 4.21Å; Q54-W59 HydrophobicContact CG-CG 4.14Å; Y56-W59 WeakPolarHBondContact O-CB 3.36Å; Y56-W59 PolarHBondContact O-N 2.75Å; E57-W59 PolarHBondContact O-N 3.19Å; W59-E61 VanDerWaalsContact C-N 3.3Å; W59-F63 HydrophobicContact CD2-CB 3.95Å; W59-F63 HydrophobicContact CD2-CD2 4.31Å; W59-F63 HydrophobicContact CE3-CB 3.71Å; W59-F63 AromaticContact CE3-CD2 3.58Å; W59-F63 HydrophobicContact CE3-CD2 3.58Å; W59-F63 AromaticContact CE3-CG 3.99Å; W59-F63 HydrophobicContact CE3-CG 3.99Å; W59-F63 HydrophobicContact CH2-CB 4.21Å; W59-F63 HydrophobicContact CZ2-CB 4.41Å; W59-F63 HydrophobicContact CZ3-CB 3.85Å; W59-F63 HydrophobicContact CZ3-CD2 4.08Å; W59-F63 HydrophobicContact CZ3-CG 4.16Å; W59-F63 PolarHBondContact O-N 2.74Å; W59-S64 VanDerWaalsContact CD1-OG 3.25Å; W59-S64 PolarHBondContact NE1-OG 3.3Å; W59-S64 PolarHBondContact O-N 3.13Å; W59-S64 PolarHBondContact O-OG 2.88Å; W59-A68 HydrophobicContact CH2-CB 3.86Å; W59-A68 HydrophobicContact CZ2-CB 3.9Å; W59-N70 HydrophobicContact CH2-CB 3.68Å; W59-N70 HydrophobicContact CZ2-CB 3.88Å; W59-N70 HydrophobicContact CZ3-CB 4.36Å
60R97.9Very high98.3Very high160 Ų16054.9 Ų54.960%0.60427%0.266SS*.Hα-helixtrans-68.3-35.3178.3-62.1178.770.2-151.15.1111.2E57 P65E57-R60 WeakPolarHBondContact O-CA 3.11Å; E57-R60 WeakPolarHBondContact O-CB 3.42Å; E57-R60 PolarHBondContact O-N 3.19Å; E57-R60 IonicContact OE1-CZ 3.73Å; E57-R60 IonicContact OE1-NE 3.94Å; E57-R60 IonicContact OE1-NH1 3.04Å; E57-R60 PolarHBondContact OE1-NH1 3.15Å; E57-R60 IonicContact OE2-NH1 3.36Å; E57-R60 PolarHBondContact OE2-NH1 3.12Å; R60-P65 WeakPolarHBondContact O-CD 3.07Å
61E98.1Very high98.3Very high126 Ų12654.8 Ų54.859%0.58927%0.266SS*.Hα-helixtrans-72-46.1178.2-66.5177.1174.400112.8E57 I58 W59E57-E61 HydrophobicContact CG-CG 4.38Å; E57-E61 PolarHBondContact O-N 3.1Å; E57-E61 VanDerWaalsContact O-N 3.07Å; I58-E61 PolarHBondContact O-N 3.11Å; W59-E61 VanDerWaalsContact C-N 3.3Å
62L98.4Very high98.3Very high40 Ų4052.6 Ų52.621%0.20926%0.256CS..Hα-helixtrans-104.3-37.8-168.3-61.5-173.8000114.6I58 L66 C206 H210I58-L62 HydrophobicContact CD1-CD1 3.89Å; I58-L62 HydrophobicContact CG1-CD1 3.58Å; I58-L62 HydrophobicContact CG1-CG 3.93Å; I58-L62 WeakPolarHBondContact O-CB 3.48Å; I58-L62 PolarHBondContact O-N 2.81Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-C206 HydrophobicContact CD1-CB 4.04Å; L62-H210 HydrophobicContact CB-CB 4.45Å; L62-H210 HydrophobicContact CD1-CB 4.17Å; L62-H210 PolarHBondContact O-CD2 3.05Å; L62-H210 PolarHBondContact O-NE2 2.98Å
63F98.5Very high98.3Very high0 Ų050.4 Ų50.40%024%0.244CC..THydrogen-bonded Turntrans-109.6-29.2-167.5-55.8-59.6000113.6F44 L53 W59 L66 A68 C206 L209 H210 I213F44-F63 HydrophobicContact CE2-CB 4.41Å; F44-F63 HydrophobicContact CE2-CD1 4.24Å; F44-F63 HydrophobicContact CE2-CG 4.33Å; F44-F63 HydrophobicContact CZ-CB 4.48Å; F44-F63 AromaticContact CZ-CD1 3.66Å; F44-F63 HydrophobicContact CZ-CD1 3.66Å; F44-F63 HydrophobicContact CZ-CD2 4.42Å; F44-F63 AromaticContact CZ-CE1 3.93Å; F44-F63 HydrophobicContact CZ-CE1 3.93Å; F44-F63 AromaticContact CZ-CG 3.93Å; F44-F63 HydrophobicContact CZ-CG 3.93Å; F44-F63 HydrophobicContact CZ-CZ 4.44Å; L53-F63 HydrophobicContact CD1-CE2 4.26Å; L53-F63 HydrophobicContact CD2-CD2 4.13Å; L53-F63 HydrophobicContact CD2-CE2 3.86Å; L53-F63 HydrophobicContact CG-CE2 4.47Å; W59-F63 HydrophobicContact CD2-CB 3.95Å; W59-F63 HydrophobicContact CD2-CD2 4.31Å; W59-F63 HydrophobicContact CE3-CB 3.71Å; W59-F63 AromaticContact CE3-CD2 3.58Å; W59-F63 HydrophobicContact CE3-CD2 3.58Å; W59-F63 AromaticContact CE3-CG 3.99Å; W59-F63 HydrophobicContact CE3-CG 3.99Å; W59-F63 HydrophobicContact CH2-CB 4.21Å; W59-F63 HydrophobicContact CZ2-CB 4.41Å; W59-F63 HydrophobicContact CZ3-CB 3.85Å; W59-F63 HydrophobicContact CZ3-CD2 4.08Å; W59-F63 HydrophobicContact CZ3-CG 4.16Å; W59-F63 PolarHBondContact O-N 2.74Å; F63-L66 HydrophobicContact CD1-CD1 4.28Å; F63-L66 WeakPolarHBondContact O-CB 3.4Å; F63-L66 PolarHBondContact O-N 3.31Å; F63-A68 HydrophobicContact CB-CB 4.23Å; F63-A68 WeakPolarHBondContact O-CB 3.14Å; F63-C206 HydrophobicContact CE2-CB 3.9Å; F63-C206 HydrophobicContact CZ-CB 3.86Å; F63-L209 HydrophobicContact CE1-CD2 4.44Å; F63-L209 HydrophobicContact CE1-CG 4.39Å; F63-L209 HydrophobicContact CZ-CD2 4.09Å; F63-L209 HydrophobicContact CZ-CG 4.37Å; F63-H210 HydrophobicContact CE1-CB 3.92Å; F63-H210 HydrophobicContact CZ-CB 4.32Å; F63-I213 HydrophobicContact CD1-CD1 4.19Å; F63-I213 HydrophobicContact CE1-CD1 3.89Å
64S97.8Very high98.3Very high50 Ų5052 Ų5235%0.3526%0.261SS..G310 helixtrans-60.5-38.7174.1-630000113.5W59 L66 H67W59-S64 VanDerWaalsContact CD1-OG 3.25Å; W59-S64 PolarHBondContact NE1-OG 3.3Å; W59-S64 PolarHBondContact O-N 3.13Å; W59-S64 PolarHBondContact O-OG 2.88Å; S64-L66 PolarHBondContact O-N 3.1Å; S64-H67 PolarHBondContact O-N 2.83Å
65P98.3Very high98.4Very high82 Ų8250.5 Ų50.553%0.53227%0.266SS..G310 helixtrans-64.2-16.3173.7-2335.8000114.3R60 H67R60-P65 WeakPolarHBondContact O-CD 3.07Å; P65-H67 VanDerWaalsContact C-N 3.28Å; P65-H67 PolarHBondContact O-N 2.99Å
66L98.2Very high98.4Very high19 Ų1943.9 Ų43.910%0.09924%0.235CC..G310 helixtrans-92.116.6179.6-48.6-176.9000112.6V42 L62 F63 S64 A68 I213 M214 L217V42-L66 HydrophobicContact CG2-CB 3.99Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; F63-L66 HydrophobicContact CD1-CD1 4.28Å; F63-L66 WeakPolarHBondContact O-CB 3.4Å; F63-L66 PolarHBondContact O-N 3.31Å; S64-L66 PolarHBondContact O-N 3.1Å; L66-A68 PolarHBondContact O-N 2.87Å; L66-I213 HydrophobicContact CD1-CG2 3.74Å; L66-M214 HydrophobicContact CD1-SD 4.47Å; L66-M214 HydrophobicContact CD2-SD 3.49Å; L66-M214 WeakPolarHBondContact CD2-SD 3.3Å; L66-L217 HydrophobicContact CD2-CD1 4.35Å
67H97.8Very high98.4Very high123 Ų12341.8 Ų41.857%0.56923%0.229SC*.THydrogen-bonded Turntrans50.543.5-174.8-51.4137.7000112.5P40 D41 S64 P65P40-H67 WeakPolarHBondContact CA-O 3.33Å; P40-H67 VanDerWaalsContact CB-O 3.27Å; P40-H67 WeakPolarHBondContact CB-O 3.41Å; D41-H67 HydrophobicContact CB-CB 4.47Å; D41-H67 PolarHBondContact N-O 3.46Å; D41-H67 IonicContact OD2-CE1 3.97Å; D41-H67 IonicContact OD2-CG 3.76Å; D41-H67 IonicContact OD2-ND1 2.92Å; D41-H67 PolarHBondContact OD2-ND1 2.8Å; S64-H67 PolarHBondContact O-N 2.83Å; P65-H67 VanDerWaalsContact C-N 3.28Å; P65-H67 PolarHBondContact O-N 2.99Å
68A98.6Very high98.5Very high16 Ų1637 Ų3713%0.13221%0.207CC..EExtended strand (participates in β ladder)trans-82.8139.3-172.900000113.5V42 F44 W59 F63 L66V42-A68 HydrophobicContact CB-CB 4.04Å; V42-A68 CarbonylContact O-C 3.51Å; V42-A68 WeakPolarHBondContact O-CA 3.47Å; F44-A68 HydrophobicContact CD2-CB 4.27Å; F44-A68 HydrophobicContact CE2-CB 4.02Å; W59-A68 HydrophobicContact CH2-CB 3.86Å; W59-A68 HydrophobicContact CZ2-CB 3.9Å; F63-A68 HydrophobicContact CB-CB 4.23Å; F63-A68 WeakPolarHBondContact O-CB 3.14Å; L66-A68 PolarHBondContact O-N 2.87Å
69L98.8Very high98.5Very high17 Ų1735.9 Ų35.99%0.08920%0.201CC..EExtended strand (participates in β ladder)trans-101.1150.1163.3-77.2-175.7000111.8D34 K38 P40 V42 L43 F44 F71D34-L69 HydrophobicContact CB-CD1 4.22Å; K38-L69 HydrophobicContact CB-CD1 4.39Å; K38-L69 HydrophobicContact CD-CD1 4.43Å; K38-L69 HydrophobicContact CD-CD2 3.72Å; P40-L69 HydrophobicContact CB-CB 4.29Å; P40-L69 HydrophobicContact CB-CD1 4.21Å; P40-L69 HydrophobicContact CB-CG 3.96Å; P40-L69 HydrophobicContact CG-CD1 3.86Å; P40-L69 HydrophobicContact CG-CG 4.18Å; V42-L69 PolarHBondContact O-N 3.29Å; L43-L69 HydrophobicContact CD1-CB 3.72Å; F44-L69 PolarHBondContact N-O 3.48Å; L69-F71 HydrophobicContact CB-CD1 4.49Å; L69-F71 HydrophobicContact CB-CE1 4.04Å; L69-F71 HydrophobicContact CB-CZ 4.42Å; L69-F71 HydrophobicContact CD1-CE1 3.9Å; L69-F71 HydrophobicContact CD1-CZ 3.75Å; L69-F71 HydrophobicContact CG-CE1 4.41Å
70N98.9Very high98.5Very high6 Ų636.7 Ų36.73%0.03221%0.205CC..EExtended strand (participates in β ladder)trans-125.2105.3179.8-171.7-52.6000110.9F31 V50 Q54 W59 G72F31-N70 WeakPolarHBondContact CE1-O 3.28Å; V50-N70 WeakPolarHBondContact CG1-OD1 3.4Å; V50-N70 PolarHBondContact O-ND2 2.93Å; V50-N70 PolarHBondContact O-OD1 3.14Å; Q54-N70 HydrophobicContact CB-CB 4.48Å; W59-N70 HydrophobicContact CH2-CB 3.68Å; W59-N70 HydrophobicContact CZ2-CB 3.88Å; W59-N70 HydrophobicContact CZ3-CB 4.36Å; N70-G72 PolarHBondContact OD1-N 3.43Å
71F98.9Very high98.6Very high0 Ų029.1 Ų29.10%018%0.177CC..EExtended strand (participates in β ladder)trans-10643.8177.7-63.2-6.6000111.3F31 D34 C35 L43 F44 V45 L69 R84 E89F31-F71 HydrophobicContact CB-CD1 3.69Å; F31-F71 HydrophobicContact CB-CD2 4.03Å; F31-F71 HydrophobicContact CB-CE1 3.68Å; F31-F71 HydrophobicContact CB-CE2 4.03Å; F31-F71 HydrophobicContact CB-CG 3.88Å; F31-F71 HydrophobicContact CB-CZ 3.86Å; F31-F71 HydrophobicContact CD1-CB 4.38Å; F31-F71 AromaticContact CD1-CD1 3.13Å; F31-F71 HydrophobicContact CD1-CD1 3.13Å; F31-F71 AromaticContact CD1-CE1 3.52Å; F31-F71 HydrophobicContact CD1-CE1 3.52Å; F31-F71 AromaticContact CD1-CG 3.9Å; F31-F71 HydrophobicContact CD1-CG 3.9Å; F31-F71 HydrophobicContact CD2-CB 3.92Å; F31-F71 HydrophobicContact CD2-CD1 4.11Å; F31-F71 HydrophobicContact CD2-CG 4.03Å; F31-F71 HydrophobicContact CE1-CB 4.44Å; F31-F71 AromaticContact CE1-CD1 3.62Å; F31-F71 HydrophobicContact CE1-CD1 3.62Å; F31-F71 HydrophobicContact CE1-CE1 4.33Å; F31-F71 HydrophobicContact CE1-CG 4.35Å; F31-F71 HydrophobicContact CE2-CB 4.05Å; F31-F71 HydrophobicContact CG-CB 4.11Å; F31-F71 AromaticContact CG-CD1 3.4Å; F31-F71 HydrophobicContact CG-CD1 3.4Å; F31-F71 HydrophobicContact CG-CD2 4.34Å; F31-F71 AromaticContact CG-CE1 3.83Å; F31-F71 HydrophobicContact CG-CE1 3.83Å; F31-F71 AromaticContact CG-CG 3.7Å; F31-F71 HydrophobicContact CG-CG 3.7Å; F31-F71 HydrophobicContact CG-CZ 4.48Å; F31-F71 HydrophobicContact CZ-CB 4.32Å; F31-F71 HydrophobicContact CZ-CD1 4.33Å; F31-F71 WeakPolarHBondContact O-CZ 3.33Å; D34-F71 HydrophobicContact CB-CE1 4.11Å; D34-F71 HydrophobicContact CB-CZ 4.24Å; C35-F71 VanDerWaalsContact SG-CE2 3.52Å; L43-F71 HydrophobicContact CD1-CD1 4.31Å; L43-F71 HydrophobicContact CD1-CD2 3.6Å; L43-F71 HydrophobicContact CD1-CE1 4.41Å; L43-F71 HydrophobicContact CD1-CE2 3.69Å; L43-F71 HydrophobicContact CD1-CG 3.92Å; L43-F71 HydrophobicContact CD1-CZ 4.12Å; L43-F71 HydrophobicContact CD2-CD2 4.48Å; F44-F71 WeakPolarHBondContact O-CA 3.33Å; F44-F71 PolarHBondContact O-N 3.35Å; V45-F71 HydrophobicContact CG1-CB 4.01Å; V45-F71 HydrophobicContact CG1-CD2 4.43Å; L69-F71 HydrophobicContact CB-CD1 4.49Å; L69-F71 HydrophobicContact CB-CE1 4.04Å; L69-F71 HydrophobicContact CB-CZ 4.42Å; L69-F71 HydrophobicContact CD1-CE1 3.9Å; L69-F71 HydrophobicContact CD1-CZ 3.75Å; L69-F71 HydrophobicContact CG-CE1 4.41Å; F71-R84 PolarHBondContact O-NH1 2.87Å; F71-R84 PolarHBondContact O-NH2 3.25Å; F71-R84 VanDerWaalsContact O-NH2 3.14Å; F71-E89 HydrophobicContact CD2-CB 3.96Å; F71-E89 HydrophobicContact CD2-CG 4.18Å; F71-E89 WeakPolarHBondContact CD2-OE2 3.44Å; F71-E89 HydrophobicContact CE2-CB 4.07Å; F71-E89 HydrophobicContact CE2-CG 4.36Å
72G98.9Very high98.6Very high0 Ų023.3 Ų23.30%015%0.149CC..EExtended strand (participates in β ladder)trans-80.8134.717100000112.1G46 Q51 N70G46-G72 WeakPolarHBondContact O-CA 3.27Å; Q51-G72 WeakPolarHBondContact CG-O 3.31Å; N70-G72 PolarHBondContact OD1-N 3.43Å
73I98.9Very high98.7Very high2 Ų224.1 Ų24.11%0.0115%0.15CC..  trans-128.3123.4170-55.9-173.5000109.7Q27 F31 G46 D47 G75 D76Q27-I73 HydrophobicContact CB-CD1 3.87Å; Q27-I73 HydrophobicContact CB-CG1 4.35Å; F31-I73 HydrophobicContact CD2-CD1 4.44Å; F31-I73 HydrophobicContact CE2-CD1 3.88Å; F31-I73 HydrophobicContact CE2-CG1 3.64Å; F31-I73 HydrophobicContact CZ-CG1 4.39Å; G46-I73 PolarHBondContact O-N 3.22Å; G46-I73 VanDerWaalsContact O-N 3.08Å; D47-I73 CarbonylContact C-O 3.59Å; D47-I73 VanDerWaalsContact CA-O 3.25Å; D47-I73 WeakPolarHBondContact CA-O 3.01Å; I73-G75 PolarHBondContact O-N 3.09Å; I73-D76 WeakPolarHBondContact O-CB 3.49Å; I73-D76 PolarHBondContact O-N 3.32Å
74G98.8Very high98.7Very high36 Ų3624.1 Ų24.137%0.37115%0.15SC..THydrogen-bonded Turntrans-58.1132.4177.900000113D76G74-D76 VanDerWaalsContact C-N 3.33Å
75G98.4Very high98.7Very high45 Ų4521.8 Ų21.846%0.46413%0.133SC..THydrogen-bonded Turntrans86-4.4-179.100000115.1I73 T77I73-G75 PolarHBondContact O-N 3.09Å; G75-T77 PolarHBondContact O-N 3.46Å
76D98.9Very high98.8Very high1 Ų122.8 Ų22.81%0.00513%0.129CC..  trans-60.6140.2179.7-93.910.2000113.1W24 D47 I73 G74 H80 V81 R84 N105W24-D76 PolarHBondContact NE1-OD1 3.37Å; D47-D76 HydrophobicContact CB-CB 4.33Å; I73-D76 WeakPolarHBondContact O-CB 3.49Å; I73-D76 PolarHBondContact O-N 3.32Å; G74-D76 VanDerWaalsContact C-N 3.33Å; D76-H80 HydrophobicContact CB-CB 4.12Å; D76-H80 WeakPolarHBondContact OD1-CB 3.5Å; D76-H80 IonicContact OD1-CG 3.71Å; D76-H80 IonicContact OD1-ND1 3.63Å; D76-V81 HydrophobicContact CB-CG2 4.15Å; D76-R84 IonicContact OD2-CZ 2.82Å; D76-R84 IonicContact OD2-NE 3.56Å; D76-R84 PolarHBondContact OD2-NE 2.99Å; D76-R84 IonicContact OD2-NH2 2.72Å; D76-R84 PolarHBondContact OD2-NH2 3.26Å; D76-N105 WeakPolarHBondContact O-CB 3.32Å; D76-N105 PolarHBondContact O-ND2 3.15Å
77T98.9Very high98.8Very high21 Ų2125.2 Ų25.213%0.12914%0.143CC..  trans-99.4172.1168.370.70000109.7G75 G79 H80 V81 N106G75-T77 PolarHBondContact O-N 3.46Å; T77-G79 PolarHBondContact O-N 3.17Å; T77-G79 PolarHBondContact OG1-N 3.16Å; T77-H80 PolarHBondContact N-ND1 2.89Å; T77-H80 PolarHBondContact O-N 2.87Å; T77-H80 PolarHBondContact OG1-N 3.45Å; T77-V81 PolarHBondContact O-N 3.36Å; T77-V81 VanDerWaalsContact O-N 3.1Å; T77-N106 WeakPolarHBondContact CA-OD1 3.21Å
78T98.9Very high98.8Very high0 Ų019.6 Ų19.60%012%0.118CC..Hα-helixtrans-55.3-38.117352.30000113.2A9 V81 L82 V102 N106 I118 I121A9-T78 WeakPolarHBondContact O-CB 3.46Å; A9-T78 PolarHBondContact O-OG1 3.47Å; T78-V81 PolarHBondContact O-N 3.32Å; T78-L82 WeakPolarHBondContact O-CB 3.34Å; T78-L82 VanDerWaalsContact O-CG 3.32Å; T78-L82 WeakPolarHBondContact O-CG 3.42Å; T78-L82 PolarHBondContact O-N 3.5Å; T78-V102 HydrophobicContact CG2-CG1 4.16Å; T78-V102 HydrophobicContact CG2-CG2 4.48Å; T78-N106 PolarHBondContact N-OD1 3.17Å; T78-N106 PolarHBondContact OG1-ND2 3.06Å; T78-I118 HydrophobicContact CG2-CG1 3.78Å; T78-I121 HydrophobicContact CG2-CD1 4.27Å
79G98.8Very high98.8Very high0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-68-36179.300000113.1P12 H13 T77 W83P12-G79 WeakPolarHBondContact CA-O 3.3Å; H13-G79 PolarHBondContact N-O 2.65Å; H13-G79 VanDerWaalsContact N-O 3.17Å; T77-G79 PolarHBondContact O-N 3.17Å; T77-G79 PolarHBondContact OG1-N 3.16Å; G79-W83 PolarHBondContact O-N 3.38Å
80H98.9Very high98.8Very high27 Ų2718.2 Ų18.213%0.12511%0.109CC..Hα-helixtrans-65.4-49.7173.7-57.8163.8000111.4H13 W24 D76 T77 L82 W83 R84H13-H80 AromaticContact CD2-CD2 3.4Å; H13-H80 PolarHBondContact CD2-CD2 3.06Å; H13-H80 AromaticContact CD2-NE2 3.53Å; H13-H80 AromaticContact NE2-CD2 3.32Å; H13-H80 PolarHBondContact NE2-CD2 3.32Å; H13-H80 VanDerWaalsContact NE2-CD2 3.32Å; H13-H80 AromaticContact NE2-NE2 3.31Å; H13-H80 PolarHBondContact NE2-NE2 2.71Å; H13-H80 WeakPolarHBondContact O-CA 3.38Å; H13-H80 PolarHBondContact O-CD2 3.45Å; W24-H80 HydrophobicContact CZ2-CB 4.08Å; D76-H80 HydrophobicContact CB-CB 4.12Å; D76-H80 WeakPolarHBondContact OD1-CB 3.5Å; D76-H80 IonicContact OD1-CG 3.71Å; D76-H80 IonicContact OD1-ND1 3.63Å; T77-H80 PolarHBondContact N-ND1 2.89Å; T77-H80 PolarHBondContact O-N 2.87Å; T77-H80 PolarHBondContact OG1-N 3.45Å; H80-L82 VanDerWaalsContact C-N 3.33Å; H80-L82 PolarHBondContact O-N 3.17Å; H80-W83 WeakPolarHBondContact O-CB 3.28Å; H80-W83 PolarHBondContact O-N 3.06Å; H80-W83 VanDerWaalsContact O-N 3.14Å; H80-R84 WeakPolarHBondContact O-CG 3.27Å; H80-R84 PolarHBondContact O-N 3.17Å
81V98.9Very high98.7Very high0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-59.8-44.6177.2176.30000110.7D76 T77 T78 W83 R84 L85 V102 I121D76-V81 HydrophobicContact CB-CG2 4.15Å; T77-V81 PolarHBondContact O-N 3.36Å; T77-V81 VanDerWaalsContact O-N 3.1Å; T78-V81 PolarHBondContact O-N 3.32Å; V81-W83 VanDerWaalsContact C-N 3.28Å; V81-W83 PolarHBondContact O-N 3.43Å; V81-R84 PolarHBondContact O-N 3.3Å; V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.17Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.38Å; V81-L85 PolarHBondContact O-N 2.88Å; V81-V102 HydrophobicContact CG2-CB 4.11Å; V81-V102 HydrophobicContact CG2-CG1 4.22Å; V81-V102 HydrophobicContact CG2-CG2 3.8Å; V81-I121 HydrophobicContact CB-CD1 3.97Å; V81-I121 HydrophobicContact CG1-CD1 3.87Å; V81-I121 HydrophobicContact CG1-CG1 4.37Å; V81-I121 HydrophobicContact CG1-CG2 4.46Å
82L98.9Very high98.7Very high4 Ų428.5 Ų28.52%0.02116%0.16CC..Hα-helixtrans-56-43.5175.3-84.1169.3000112.6A10 P12 T78 H80 K86 A120 I121 L124A10-L82 WeakPolarHBondContact O-CD1 3.39Å; P12-L82 HydrophobicContact CB-CB 4.01Å; T78-L82 WeakPolarHBondContact O-CB 3.34Å; T78-L82 VanDerWaalsContact O-CG 3.32Å; T78-L82 WeakPolarHBondContact O-CG 3.42Å; T78-L82 PolarHBondContact O-N 3.5Å; H80-L82 VanDerWaalsContact C-N 3.33Å; H80-L82 PolarHBondContact O-N 3.17Å; L82-K86 WeakPolarHBondContact O-CB 3.44Å; L82-K86 WeakPolarHBondContact O-CG 3.48Å; L82-K86 PolarHBondContact O-N 3.09Å; L82-K86 VanDerWaalsContact O-N 3.15Å; L82-A120 HydrophobicContact CD1-CB 4.07Å; L82-A120 HydrophobicContact CD2-CB 4.19Å; L82-I121 HydrophobicContact CD1-CG1 4.39Å; L82-I121 HydrophobicContact CD2-CB 4.32Å; L82-I121 HydrophobicContact CD2-CG1 3.65Å; L82-I121 HydrophobicContact CG-CD1 4.42Å; L82-I121 HydrophobicContact CG-CG1 3.53Å; L82-L124 HydrophobicContact CD2-CB 4.47Å; L82-L124 HydrophobicContact CD2-CD2 4.07Å
83W98.9Very high98.7Very high57 Ų5728.7 Ų28.722%0.21616%0.161CC..Hα-helixtrans-63.4-49.7177.1-171.997.9000110.5P12 H13 A14 W24 M25 H28 G79 H80 V81 L85 K86 N87P12-W83 HydrophobicContact CB-CB 4.1Å; H13-W83 VanDerWaalsContact O-CB 3.31Å; H13-W83 WeakPolarHBondContact O-CB 3.48Å; A14-W83 HydrophobicContact CB-CD2 3.91Å; A14-W83 HydrophobicContact CB-CE3 4.36Å; A14-W83 HydrophobicContact CB-CG 4.27Å; A14-W83 HydrophobicContact CB-CH2 4.48Å; A14-W83 HydrophobicContact CB-CZ2 4.04Å; W24-W83 HydrophobicContact CH2-CD2 4.16Å; W24-W83 AromaticContact CH2-CE3 3.43Å; W24-W83 HydrophobicContact CH2-CE3 3.43Å; W24-W83 VanDerWaalsContact CH2-CE3 3.43Å; W24-W83 AromaticContact CH2-CZ3 3.75Å; W24-W83 HydrophobicContact CH2-CZ3 3.75Å; W24-W83 AromaticContact CZ3-CE3 3.91Å; W24-W83 HydrophobicContact CZ3-CE3 3.91Å; W24-W83 HydrophobicContact CZ3-CH2 4.38Å; W24-W83 AromaticContact CZ3-CZ3 3.75Å; W24-W83 HydrophobicContact CZ3-CZ3 3.75Å; M25-W83 HydrophobicContact CE-CH2 3.8Å; M25-W83 HydrophobicContact CE-CZ3 3.79Å; M25-W83 HydrophobicContact SD-CH2 4.03Å; M25-W83 HydrophobicContact SD-CZ3 4.33Å; H28-W83 AromaticContact CD2-CZ3 3.99Å; H28-W83 AromaticContact CE1-CZ3 3.87Å; H28-W83 AromaticContact NE2-CZ3 3.78Å; G79-W83 PolarHBondContact O-N 3.38Å; H80-W83 WeakPolarHBondContact O-CB 3.28Å; H80-W83 PolarHBondContact O-N 3.06Å; H80-W83 VanDerWaalsContact O-N 3.14Å; V81-W83 VanDerWaalsContact C-N 3.28Å; V81-W83 PolarHBondContact O-N 3.43Å; W83-L85 PolarHBondContact O-N 2.84Å; W83-K86 PolarHBondContact O-N 2.79Å; W83-K86 VanDerWaalsContact O-N 3.1Å; W83-N87 HydrophobicContact CD2-CB 4.42Å; W83-N87 VanDerWaalsContact CD2-ND2 3.3Å; W83-N87 VanDerWaalsContact CE2-ND2 3.3Å; W83-N87 HydrophobicContact CE3-CB 4.13Å; W83-N87 HydrophobicContact CH2-CB 4.05Å; W83-N87 HydrophobicContact CZ2-CB 4.33Å; W83-N87 HydrophobicContact CZ3-CB 3.95Å; W83-N87 WeakPolarHBondContact O-CB 3.47Å; W83-N87 PolarHBondContact O-N 2.77Å; W83-N87 PolarHBondContact O-ND2 3.21Å
84R98.9Very high98.7Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-56.8-48.3-178.8-75.3-167-59.5115.8-16.7112.9W24 G46 F71 D76 H80 V81 K86 N87 E89W24-R84 HydrophobicContact CH2-CG 3.78Å; W24-R84 HydrophobicContact CZ2-CG 3.61Å; G46-R84 PolarHBondContact O-NH2 3.22Å; G46-R84 VanDerWaalsContact O-NH2 3.11Å; F71-R84 PolarHBondContact O-NH1 2.87Å; F71-R84 PolarHBondContact O-NH2 3.25Å; F71-R84 VanDerWaalsContact O-NH2 3.14Å; D76-R84 IonicContact OD2-CZ 2.82Å; D76-R84 IonicContact OD2-NE 3.56Å; D76-R84 PolarHBondContact OD2-NE 2.99Å; D76-R84 IonicContact OD2-NH2 2.72Å; D76-R84 PolarHBondContact OD2-NH2 3.26Å; H80-R84 WeakPolarHBondContact O-CG 3.27Å; H80-R84 PolarHBondContact O-N 3.17Å; V81-R84 PolarHBondContact O-N 3.3Å; R84-K86 VanDerWaalsContact C-N 3.3Å; R84-K86 PolarHBondContact O-N 2.75Å; R84-N87 CarbonylContact O-C 3.59Å; R84-N87 PolarHBondContact O-N 2.78Å; R84-E89 WeakPolarHBondContact CB-OE1 3.4Å; R84-E89 VanDerWaalsContact CD-OE1 3.3Å; R84-E89 WeakPolarHBondContact CD-OE1 3.3Å; R84-E89 IonicContact CZ-OE2 2.79Å; R84-E89 IonicContact NH1-OE1 3.91Å; R84-E89 PolarHBondContact NH1-OE1 3.02Å; R84-E89 IonicContact NH1-OE2 2.75Å; R84-E89 PolarHBondContact NH1-OE2 3.14Å
85L98.9Very high98.6Very high1 Ų134.9 Ų34.91%0.00518%0.178CC..Hα-helixtrans-62.9-35.4177.8-63.8178.7000112.6V45 V81 W83 N87 E89 L90 I121 L124 I125V45-L85 HydrophobicContact CB-CD2 4.41Å; V45-L85 HydrophobicContact CG1-CD2 3.82Å; V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.17Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.38Å; V81-L85 PolarHBondContact O-N 2.88Å; W83-L85 PolarHBondContact O-N 2.84Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-N87 PolarHBondContact O-N 2.95Å; L85-E89 HydrophobicContact CD2-CB 4.42Å; L85-L90 HydrophobicContact CB-CD1 3.98Å; L85-L90 HydrophobicContact CB-CG 4.24Å; L85-L90 HydrophobicContact CD2-CD1 4.15Å; L85-L90 HydrophobicContact CD2-CD2 3.93Å; L85-L90 HydrophobicContact CD2-CG 3.82Å; L85-L90 HydrophobicContact CG-CD1 4.46Å; L85-I121 HydrophobicContact CD1-CG2 3.82Å; L85-L124 HydrophobicContact CB-CD2 3.63Å; L85-L124 HydrophobicContact CD1-CD2 4.4Å; L85-I125 HydrophobicContact CD1-CD1 4.17Å; L85-I125 HydrophobicContact CD1-CG1 4.05Å
86K98.7Very high98.6Very high103 Ų10334.9 Ų34.945%0.44817%0.165SC..Hα-helixtrans-71.8-20.4175-79.1-175.7175.4-174.70113.8P12 L82 W83 R84 L124P12-K86 HydrophobicContact CB-CD 4.17Å; P12-K86 HydrophobicContact CG-CD 4.06Å; L82-K86 WeakPolarHBondContact O-CB 3.44Å; L82-K86 WeakPolarHBondContact O-CG 3.48Å; L82-K86 PolarHBondContact O-N 3.09Å; L82-K86 VanDerWaalsContact O-N 3.15Å; W83-K86 PolarHBondContact O-N 2.79Å; W83-K86 VanDerWaalsContact O-N 3.1Å; R84-K86 VanDerWaalsContact C-N 3.3Å; R84-K86 PolarHBondContact O-N 2.75Å; K86-L124 HydrophobicContact CG-CD1 3.82Å; K86-L124 HydrophobicContact CG-CD2 3.62Å; K86-L124 HydrophobicContact CG-CG 4.38Å
87N98.8Very high98.6Very high71 Ų7134.9 Ų34.938%0.3817%0.165SC..THydrogen-bonded Turntrans-113.141.9-171.8-69.6-85.4000111.9H28 W83 R84 L85H28-N87 PolarHBondContact CE1-O 2.92Å; H28-N87 PolarHBondContact NE2-O 3.44Å; H28-N87 VanDerWaalsContact NE2-O 3.15Å; W83-N87 HydrophobicContact CD2-CB 4.42Å; W83-N87 VanDerWaalsContact CD2-ND2 3.3Å; W83-N87 VanDerWaalsContact CE2-ND2 3.3Å; W83-N87 HydrophobicContact CE3-CB 4.13Å; W83-N87 HydrophobicContact CH2-CB 4.05Å; W83-N87 HydrophobicContact CZ2-CB 4.33Å; W83-N87 HydrophobicContact CZ3-CB 3.95Å; W83-N87 WeakPolarHBondContact O-CB 3.47Å; W83-N87 PolarHBondContact O-N 2.77Å; W83-N87 PolarHBondContact O-ND2 3.21Å; R84-N87 CarbonylContact O-C 3.59Å; R84-N87 PolarHBondContact O-N 2.78Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-N87 PolarHBondContact O-N 2.95Å
88G98.3Very high98.6Very high5 Ų533.9 Ų33.95%0.05216%0.159CC..THydrogen-bonded Turntrans109.2-13.2164.600000116.3L90 E91G88-L90 PolarHBondContact O-N 3.4Å; G88-L90 VanDerWaalsContact O-N 3.11Å; G88-E91 PolarHBondContact O-N 3.08Å; G88-E91 VanDerWaalsContact O-N 3.1Å
89E98.8Very high98.6Very high0 Ų033.9 Ų33.90%016%0.159CC..THydrogen-bonded Turntrans-73.3-0.4-179.7-71.7-173.6-153.300114.5H28 F31 V32 C35 F71 R84 L85H28-E89 IonicContact CE1-OE1 3.55Å; H28-E89 IonicContact CG-OE1 3.47Å; H28-E89 IonicContact ND1-OE1 3.87Å; H28-E89 PolarHBondContact ND1-OE1 3.11Å; F31-E89 HydrophobicContact CB-CG 3.86Å; V32-E89 HydrophobicContact CG2-CG 4.18Å; C35-E89 PolarHBondContact SG-O 3.07Å; F71-E89 HydrophobicContact CD2-CB 3.96Å; F71-E89 HydrophobicContact CD2-CG 4.18Å; F71-E89 WeakPolarHBondContact CD2-OE2 3.44Å; F71-E89 HydrophobicContact CE2-CB 4.07Å; F71-E89 HydrophobicContact CE2-CG 4.36Å; R84-E89 WeakPolarHBondContact CB-OE1 3.4Å; R84-E89 VanDerWaalsContact CD-OE1 3.3Å; R84-E89 WeakPolarHBondContact CD-OE1 3.3Å; R84-E89 IonicContact CZ-OE2 2.79Å; R84-E89 IonicContact NH1-OE1 3.91Å; R84-E89 PolarHBondContact NH1-OE1 3.02Å; R84-E89 IonicContact NH1-OE2 2.75Å; R84-E89 PolarHBondContact NH1-OE2 3.14Å; L85-E89 HydrophobicContact CD2-CB 4.42Å
90L98.6Very high98.7Very high4 Ų433.9 Ų33.92%0.02116%0.159CC..THydrogen-bonded Turntrans-118.57.3171-66.2-179.8000112.5L43 L85 G88 I98 I125 Q128 Q129L43-L90 HydrophobicContact CD2-CD2 3.81Å; L85-L90 HydrophobicContact CB-CD1 3.98Å; L85-L90 HydrophobicContact CB-CG 4.24Å; L85-L90 HydrophobicContact CD2-CD1 4.15Å; L85-L90 HydrophobicContact CD2-CD2 3.93Å; L85-L90 HydrophobicContact CD2-CG 3.82Å; L85-L90 HydrophobicContact CG-CD1 4.46Å; G88-L90 PolarHBondContact O-N 3.4Å; G88-L90 VanDerWaalsContact O-N 3.11Å; L90-I98 HydrophobicContact CD2-CD1 4.41Å; L90-I125 HydrophobicContact CD1-CG1 4.28Å; L90-Q128 HydrophobicContact CD1-CB 4.15Å; L90-Q129 HydrophobicContact CB-CG 4.4Å; L90-Q129 HydrophobicContact CD1-CG 4.47Å; L90-Q129 HydrophobicContact CD2-CG 4.16Å; L90-Q129 PolarHBondContact O-NE2 2.92Å
91E97.8Very high98.7Very high105 Ų10533.1 Ų33.149%0.49116%0.155SC..SBendtrans-86.6151.7-179.9-66.4-179.3-16700111.2C35 G88 I93C35-E91 WeakPolarHBondContact CB-O 3.46Å; G88-E91 PolarHBondContact O-N 3.08Å; G88-E91 VanDerWaalsContact O-N 3.1Å; E91-I93 PolarHBondContact O-N 3.47Å
92N98.1Very high98.7Very high116 Ų11633.3 Ų33.362%0.6216%0.156SC*.SBendtrans62.8-6.6174-48.7-57000117.1C35C35-N92 WeakPolarHBondContact O-CB 3.49Å
93I98.4Very high98.6Very high4 Ų433.1 Ų33.12%0.02116%0.155CC..  trans-107.8157173.960.7171.4000111.8C35 K38 P40 L43 E91 P95 Q129C35-I93 HydrophobicContact CB-CG2 4.09Å; C35-I93 WeakPolarHBondContact O-CG2 3.37Å; K38-I93 WeakPolarHBondContact O-CG2 3.43Å; P40-I93 HydrophobicContact CG-CB 4.13Å; P40-I93 HydrophobicContact CG-CD1 4.26Å; P40-I93 HydrophobicContact CG-CG2 4.11Å; L43-I93 HydrophobicContact CD2-CD1 3.86Å; E91-I93 PolarHBondContact O-N 3.47Å; I93-P95 HydrophobicContact CD1-CG 4.49Å; I93-Q129 PolarHBondContact O-NE2 3.5Å; I93-Q129 PolarHBondContact O-OE1 3.24Å
94K98.2Very high98.6Very high169 Ų16931 Ų3174%0.73515%0.149SC*.  trans-136.764.6175-67.3-172.8178.9179.50111.6
95P98.4Very high98.6Very high0 Ų031.9 Ų31.90%015%0.153CC..  trans-59.3143.8177.228.6-36.3000110.9P40 L43 I93 I98 Q131 A132P40-P95 VanDerWaalsContact O-CA 3.3Å; P40-P95 WeakPolarHBondContact O-CA 3.35Å; L43-P95 HydrophobicContact CB-CB 3.97Å; L43-P95 HydrophobicContact CB-CG 4.08Å; L43-P95 HydrophobicContact CD2-CG 4.46Å; I93-P95 HydrophobicContact CD1-CG 4.49Å; P95-I98 HydrophobicContact CB-CG1 4.12Å; P95-I98 HydrophobicContact CG-CD1 3.78Å; P95-I98 HydrophobicContact CG-CG1 3.64Å; P95-Q131 PolarHBondContact O-NE2 3.1Å; P95-Q131 VanDerWaalsContact O-NE2 3.14Å; P95-A132 WeakPolarHBondContact O-CB 3.48Å
96K98.6Very high98.6Very high45 Ų4532 Ų3220%0.19615%0.154CC..SBendtrans-79.2-35.4173-65.8171.8179.3149.90110.5D41 A132 K133 L217 T220 E222D41-K96 HydrophobicContact CB-CD 4.48Å; D41-K96 PolarHBondContact O-N 2.96Å; D41-K96 WeakPolarHBondContact OD1-CD 3.2Å; D41-K96 VanDerWaalsContact OD1-CE 3.29Å; D41-K96 WeakPolarHBondContact OD1-CE 3.43Å; D41-K96 IonicContact OD1-NZ 3.2Å; D41-K96 PolarHBondContact OD1-NZ 3.07Å; K96-A132 WeakPolarHBondContact O-CA 3.46Å; K96-K133 PolarHBondContact O-N 2.74Å; K96-L217 HydrophobicContact CB-CD2 3.68Å; K96-L217 HydrophobicContact CD-CD2 3.95Å; K96-L217 HydrophobicContact CG-CD2 4.44Å; K96-T220 HydrophobicContact CB-CG2 4.12Å; K96-T220 HydrophobicContact CD-CG2 4.3Å; K96-T220 HydrophobicContact CG-CG2 3.99Å; K96-E222 WeakPolarHBondContact CE-OE2 3.31Å; K96-E222 IonicContact NZ-OE2 2.75Å; K96-E222 PolarHBondContact NZ-OE2 3.2Å
97V98.9Very high98.6Very high0 Ų031.5 Ų31.50%015%0.153CC..EExtended strand (participates in β ladder)trans-128.6133.9178-178.20000110.7D41 V42 L43 V99 K133 I135 I213 L216 L217D41-V97 PolarHBondContact O-N 3.21Å; D41-V97 VanDerWaalsContact O-N 3.14Å; V42-V97 CarbonylContact C-O 3.4Å; V42-V97 WeakPolarHBondContact CA-O 3.33Å; V42-V97 HydrophobicContact CG1-CB 4.38Å; V42-V97 HydrophobicContact CG2-CB 4.45Å; L43-V97 PolarHBondContact N-O 2.91Å; V97-V99 HydrophobicContact CG1-CG2 4.41Å; V97-K133 CarbonylContact C-O 3.55Å; V97-K133 VanDerWaalsContact CA-O 3.28Å; V97-K133 WeakPolarHBondContact CA-O 3.45Å; V97-I135 HydrophobicContact CG1-CD1 3.84Å; V97-I135 HydrophobicContact CG1-CG1 4.13Å; V97-I213 HydrophobicContact CG1-CG1 4.28Å; V97-L216 HydrophobicContact CG1-CD1 4.48Å; V97-L216 HydrophobicContact CG2-CB 3.88Å; V97-L217 HydrophobicContact CG2-CD2 3.93Å; V97-L217 HydrophobicContact CG2-CG 4.15Å
98I98.9Very high98.5Very high0 Ų036.7 Ų36.70%018%0.175CC..EExtended strand (participates in β ladder)trans-119.1122.4172.6-60.3169.6000109.3L43 V45 L90 P95 V100 I125 Q129 A132 K133 V134 I135L43-I98 HydrophobicContact CB-CG1 4.23Å; L43-I98 CarbonylContact O-C 3.54Å; L43-I98 VanDerWaalsContact O-CA 3.27Å; L43-I98 WeakPolarHBondContact O-CA 3.2Å; V45-I98 HydrophobicContact CG2-CG2 4.16Å; L90-I98 HydrophobicContact CD2-CD1 4.41Å; P95-I98 HydrophobicContact CB-CG1 4.12Å; P95-I98 HydrophobicContact CG-CD1 3.78Å; P95-I98 HydrophobicContact CG-CG1 3.64Å; I98-V100 HydrophobicContact CG2-CG2 4.34Å; I98-I125 HydrophobicContact CB-CG2 4.39Å; I98-I125 HydrophobicContact CD1-CG2 3.38Å; I98-I125 HydrophobicContact CG1-CG2 4.44Å; I98-I125 HydrophobicContact CG2-CD1 3.93Å; I98-I125 HydrophobicContact CG2-CG2 4.5Å; I98-Q129 HydrophobicContact CD1-CB 3.98Å; I98-Q129 HydrophobicContact CD1-CG 4.12Å; I98-A132 HydrophobicContact CD1-CB 3.66Å; I98-A132 HydrophobicContact CG1-CB 3.96Å; I98-K133 PolarHBondContact N-O 3.3Å; I98-V134 CarbonylContact O-C 3.49Å; I98-V134 VanDerWaalsContact O-CA 3.3Å; I98-V134 WeakPolarHBondContact O-CA 3.32Å; I98-I135 PolarHBondContact O-N 2.86Å
99V98.9Very high98.5Very high0 Ų037.8 Ų37.80%018%0.18CC..EExtended strand (participates in β ladder)trans-99.7122.1176.8-1750000109.3V42 L43 F44 V45 V97 I135 L137 L209 I213V42-V99 HydrophobicContact CG1-CG2 4.47Å; L43-V99 PolarHBondContact O-N 2.95Å; F44-V99 WeakPolarHBondContact CA-O 3.21Å; F44-V99 HydrophobicContact CD1-CB 3.67Å; F44-V99 HydrophobicContact CD1-CG1 3.82Å; F44-V99 HydrophobicContact CD1-CG2 4.06Å; F44-V99 HydrophobicContact CE1-CB 3.95Å; F44-V99 HydrophobicContact CE1-CG1 3.97Å; F44-V99 HydrophobicContact CE1-CG2 3.86Å; F44-V99 HydrophobicContact CE2-CG2 4.36Å; F44-V99 HydrophobicContact CG-CB 4.06Å; F44-V99 HydrophobicContact CG-CG2 4.4Å; F44-V99 HydrophobicContact CZ-CG2 4.01Å; V45-V99 PolarHBondContact N-O 3.34Å; V97-V99 HydrophobicContact CG1-CG2 4.41Å; V99-I135 CarbonylContact C-O 3.37Å; V99-I135 WeakPolarHBondContact CA-O 3.35Å; V99-I135 HydrophobicContact CG2-CB 4.44Å; V99-I135 HydrophobicContact CG2-CD1 4.32Å; V99-L137 HydrophobicContact CG1-CD1 3.9Å; V99-L137 HydrophobicContact CG1-CG 4.24Å; V99-L209 HydrophobicContact CG1-CD1 4.17Å; V99-L209 HydrophobicContact CG2-CD1 4.29Å; V99-I213 HydrophobicContact CG2-CD1 3.97Å; V99-I213 HydrophobicContact CG2-CG1 4.35Å
100V98.9Very high98.5Very high1 Ų141.1 Ų41.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-109.7123.9177.9-178.30000109.3V45 I98 V102 I121 I125 V134 I135 V136 L137V45-V100 HydrophobicContact CG2-CB 4.39Å; V45-V100 HydrophobicContact CG2-CG2 3.83Å; V45-V100 WeakPolarHBondContact O-CA 3.34Å; I98-V100 HydrophobicContact CG2-CG2 4.34Å; V100-V102 HydrophobicContact CG1-CG1 4.1Å; V100-I121 HydrophobicContact CG1-CG2 3.93Å; V100-I121 HydrophobicContact CG2-CG2 4.11Å; V100-I125 HydrophobicContact CG2-CD1 3.5Å; V100-I125 VanDerWaalsContact CG2-CD1 3.5Å; V100-V134 HydrophobicContact CG2-CG1 3.96Å; V100-I135 PolarHBondContact N-O 3.41Å; V100-V136 HydrophobicContact CB-CG2 4.39Å; V100-V136 WeakPolarHBondContact O-CA 3.43Å; V100-L137 PolarHBondContact O-N 3.12Å
101W98.9Very high98.5Very high10 Ų1041.3 Ų41.34%0.03820%0.202CC..EExtended strand (participates in β ladder)trans-142.393.7173.4-159.919.1000111.1V45 G46 D47 M49 V50 L137 G138 L140 L197 Y202 I205V45-W101 PolarHBondContact O-N 2.98Å; G46-W101 WeakPolarHBondContact CA-O 3.41Å; D47-W101 PolarHBondContact N-O 3.39Å; D47-W101 VanDerWaalsContact N-O 3.11Å; M49-W101 HydrophobicContact CB-CD2 3.8Å; M49-W101 HydrophobicContact CB-CE3 3.6Å; M49-W101 HydrophobicContact CB-CH2 4.18Å; M49-W101 HydrophobicContact CB-CZ2 4.37Å; M49-W101 HydrophobicContact CB-CZ3 3.8Å; M49-W101 HydrophobicContact CE-CH2 4.22Å; M49-W101 HydrophobicContact CE-CZ2 4.35Å; V50-W101 HydrophobicContact CG2-CB 3.62Å; V50-W101 HydrophobicContact CG2-CE3 4.31Å; W101-L137 HydrophobicContact CB-CB 3.94Å; W101-L137 HydrophobicContact CB-CD1 4.03Å; W101-L137 HydrophobicContact CD2-CB 3.84Å; W101-L137 HydrophobicContact CD2-CD1 3.55Å; W101-L137 HydrophobicContact CD2-CG 4.35Å; W101-L137 HydrophobicContact CE3-CD1 3.52Å; W101-L137 HydrophobicContact CG-CB 3.49Å; W101-L137 VanDerWaalsContact CG-CB 3.49Å; W101-L137 HydrophobicContact CG-CD1 3.83Å; W101-L137 HydrophobicContact CG-CG 4.31Å; W101-L137 HydrophobicContact CZ3-CD1 4.06Å; W101-G138 PolarHBondContact NE1-O 3.17Å; W101-L140 HydrophobicContact CH2-CD1 4.11Å; W101-L140 HydrophobicContact CZ2-CD1 3.69Å; W101-L140 HydrophobicContact CZ2-CD2 4.29Å; W101-L140 HydrophobicContact CZ2-CG 3.77Å; W101-L197 HydrophobicContact CH2-CD1 4.05Å; W101-Y202 HydrophobicContact CZ3-CE1 4.26Å; W101-I205 HydrophobicContact CH2-CG2 3.92Å; W101-I205 HydrophobicContact CZ2-CG2 4.45Å; W101-I205 HydrophobicContact CZ3-CG2 4.48Å
102V98.9Very high98.6Very high4 Ų441.2 Ų41.22%0.02420%0.202CC..  trans-152.1151.6-178.662.40000109.9D47 T78 V81 V100 I118 I121 L139D47-V102 HydrophobicContact CB-CG2 4.38Å; T78-V102 HydrophobicContact CG2-CG1 4.16Å; T78-V102 HydrophobicContact CG2-CG2 4.48Å; V81-V102 HydrophobicContact CG2-CB 4.11Å; V81-V102 HydrophobicContact CG2-CG1 4.22Å; V81-V102 HydrophobicContact CG2-CG2 3.8Å; V100-V102 HydrophobicContact CG1-CG1 4.1Å; V102-I118 VanDerWaalsContact O-CD1 3.32Å; V102-I118 WeakPolarHBondContact O-CD1 3.38Å; V102-I121 HydrophobicContact CG1-CD1 3.58Å; V102-L139 WeakPolarHBondContact O-CD2 3.4Å
103G98.8Very high98.6Very high1 Ų138.1 Ų38.11%0.0118%0.184CC..  trans139.7-18.4168.300000113.4N105 N106G103-N105 PolarHBondContact O-N 3.41Å; G103-N106 WeakPolarHBondContact CA-OD1 3.32Å; G103-N106 WeakPolarHBondContact O-CB 3.43Å; G103-N106 PolarHBondContact O-N 3.1Å
104T98.7Very high98.6Very high13 Ų1338 Ų388%0.0818%0.183CC..THydrogen-bonded Turntrans-69.1-19.7-178.9-167.10000113.3R142 N153 L195T104-R142 PolarHBondContact O-NH1 3.4Å; T104-R142 VanDerWaalsContact O-NH1 3.12Å; T104-R142 WeakPolarHBondContact OG1-CD 3.24Å; T104-R142 PolarHBondContact OG1-NH1 3.44Å; T104-N153 PolarHBondContact OG1-ND2 3.14Å; T104-L195 HydrophobicContact CG2-CD1 4.34Å
105N98.8Very high98.7Very high18 Ų1830 Ų3010%0.09615%0.149CC..THydrogen-bonded Turntrans-91.6-2.8178-59.7-36.1000113.5D47 D76 G103 H107D47-N105 WeakPolarHBondContact CB-ND2 3.46Å; D76-N105 WeakPolarHBondContact O-CB 3.32Å; D76-N105 PolarHBondContact O-ND2 3.15Å; G103-N105 PolarHBondContact O-N 3.41Å; N105-H107 PolarHBondContact O-CD2 2.73Å; N105-H107 PolarHBondContact O-N 3.37Å
106N98.7Very high98.7Very high3 Ų331 Ų312%0.01616%0.158CC..  trans-74.967.3174.2-75.876.4000110.2T77 T78 G103 E108 N109 V114 K152T77-N106 WeakPolarHBondContact CA-OD1 3.21Å; T78-N106 PolarHBondContact N-OD1 3.17Å; T78-N106 PolarHBondContact OG1-ND2 3.06Å; G103-N106 WeakPolarHBondContact CA-OD1 3.32Å; G103-N106 WeakPolarHBondContact O-CB 3.43Å; G103-N106 PolarHBondContact O-N 3.1Å; N106-E108 PolarHBondContact O-N 3.48Å; N106-N109 HydrophobicContact CB-CB 4.26Å; N106-N109 PolarHBondContact ND2-OD1 2.99Å; N106-N109 PolarHBondContact O-N 3.37Å; N106-V114 HydrophobicContact CB-CG2 3.42Å; N106-V114 VanDerWaalsContact CB-CG2 3.42Å; N106-K152 PolarHBondContact O-NZ 2.93Å
107H97.5Very high98.7Very high92 Ų9228.8 Ų28.843%0.42615%0.149SC..THydrogen-bonded Turntrans-62.7-45-171.2-60.7-53.3000112.9N105 N109 K152N105-H107 PolarHBondContact O-CD2 2.73Å; N105-H107 PolarHBondContact O-N 3.37Å; H107-N109 VanDerWaalsContact C-N 3.31Å; H107-N109 PolarHBondContact O-N 3.41Å; H107-K152 PolarHBondContact O-NZ 2.91Å
108E97.3Very high98.7Very high180 Ų18029 Ų2984%0.84115%0.15SC*.THydrogen-bonded Turntrans-79.5-8.2-174.1-54.8-50.6127.900114.4N106N106-E108 PolarHBondContact O-N 3.48Å
109N98.6Very high98.7Very high29 Ų2930.7 Ų30.716%0.15516%0.158CC..SBendtrans-94.3153.6-176.3-61.9123.3000113.1A9 N106 H107 E113 V114 K152A9-N109 HydrophobicContact CB-CB 4.39Å; N106-N109 HydrophobicContact CB-CB 4.26Å; N106-N109 PolarHBondContact ND2-OD1 2.99Å; N106-N109 PolarHBondContact O-N 3.37Å; H107-N109 VanDerWaalsContact C-N 3.31Å; H107-N109 PolarHBondContact O-N 3.41Å; N109-E113 WeakPolarHBondContact CA-OE2 3.3Å; N109-E113 HydrophobicContact CB-CB 3.95Å; N109-E113 WeakPolarHBondContact CB-OE2 3.32Å; N109-E113 PolarHBondContact ND2-OE2 3.06Å; N109-V114 HydrophobicContact CB-CG2 3.76Å; N109-K152 WeakPolarHBondContact O-CE 3.43Å; N109-K152 PolarHBondContact O-NZ 2.94Å
110T98.8Very high98.7Very high70 Ų7031.9 Ų31.943%0.42917%0.167SC..  trans-71.3165.8168.165.40000111.4E112 E113 V114T110-E112 PolarHBondContact O-N 2.97Å; T110-E113 PolarHBondContact N-OE2 3.4Å; T110-E113 PolarHBondContact O-N 2.64Å; T110-E113 WeakPolarHBondContact OG1-CB 3.5Å; T110-E113 VanDerWaalsContact OG1-CG 3.26Å; T110-E113 WeakPolarHBondContact OG1-CG 3.39Å; T110-E113 PolarHBondContact OG1-N 3.2Å; T110-E113 VanDerWaalsContact OG1-N 3.17Å; T110-V114 WeakPolarHBondContact O-CG2 3.12Å; T110-V114 PolarHBondContact O-N 3.16Å
111A98.8Very high98.7Very high8 Ų831.8 Ų31.87%0.06617%0.167CC..Hα-helixtrans-63-35.7176.200000111.7V114 A115 K152 K155 V156 L159A111-V114 PolarHBondContact O-N 3.33Å; A111-A115 WeakPolarHBondContact O-CB 3.38Å; A111-A115 PolarHBondContact O-N 3.36Å; A111-K152 HydrophobicContact CB-CG 4.28Å; A111-K155 HydrophobicContact CB-CB 3.76Å; A111-K155 HydrophobicContact CB-CG 3.51Å; A111-V156 HydrophobicContact CB-CG2 3.85Å; A111-L159 HydrophobicContact CB-CD1 4.49Å
112E98.8Very high98.7Very high102 Ų10231.3 Ų31.348%0.47717%0.165SC..Hα-helixtrans-63.7-44.8176.3-67.669.8-159.100111.6T110 A115 G116 K155 L159T110-E112 PolarHBondContact O-N 2.97Å; E112-A115 PolarHBondContact O-N 3.19Å; E112-G116 PolarHBondContact O-N 3.39Å; E112-K155 WeakPolarHBondContact OE1-CE 3.48Å; E112-L159 HydrophobicContact CB-CD1 4.43Å; E112-L159 HydrophobicContact CG-CD1 3.99Å
113E98.8Very high98.7Very high52 Ų5237 Ų3724%0.24319%0.186CC..Hα-helixtrans-61.9-47.6175.2-75.6173.6160.800111.4N7 A9 N109 T110 A115 G116 G117N7-E113 PolarHBondContact ND2-O 3.18Å; N7-E113 WeakPolarHBondContact OD1-CA 3.38Å; N7-E113 VanDerWaalsContact OD1-CB 3.23Å; N7-E113 WeakPolarHBondContact OD1-CB 3.38Å; N7-E113 WeakPolarHBondContact OD1-CG 3.33Å; N7-E113 PolarHBondContact OD1-O 3.46Å; A9-E113 HydrophobicContact CB-CB 4.13Å; A9-E113 WeakPolarHBondContact CB-O 3.45Å; N109-E113 WeakPolarHBondContact CA-OE2 3.3Å; N109-E113 HydrophobicContact CB-CB 3.95Å; N109-E113 WeakPolarHBondContact CB-OE2 3.32Å; N109-E113 PolarHBondContact ND2-OE2 3.06Å; T110-E113 PolarHBondContact N-OE2 3.4Å; T110-E113 PolarHBondContact O-N 2.64Å; T110-E113 WeakPolarHBondContact OG1-CB 3.5Å; T110-E113 VanDerWaalsContact OG1-CG 3.26Å; T110-E113 WeakPolarHBondContact OG1-CG 3.39Å; T110-E113 PolarHBondContact OG1-N 3.2Å; T110-E113 VanDerWaalsContact OG1-N 3.17Å; E113-A115 PolarHBondContact O-N 2.8Å; E113-G116 CarbonylContact O-C 3.52Å; E113-G116 PolarHBondContact O-N 3.49Å; E113-G116 VanDerWaalsContact O-N 3.16Å; E113-G117 PolarHBondContact O-N 3.05Å
114V98.9Very high98.7Very high0 Ų037.9 Ų37.90%019%0.191CC..Hα-helixtrans-60.8-45.9178.7176.90000111.4N106 N109 T110 A111 G116 G117 I118 L139 V156N106-V114 HydrophobicContact CB-CG2 3.42Å; N106-V114 VanDerWaalsContact CB-CG2 3.42Å; N109-V114 HydrophobicContact CB-CG2 3.76Å; T110-V114 WeakPolarHBondContact O-CG2 3.12Å; T110-V114 PolarHBondContact O-N 3.16Å; A111-V114 PolarHBondContact O-N 3.33Å; V114-G116 VanDerWaalsContact C-N 3.31Å; V114-G116 PolarHBondContact O-N 3.44Å; V114-G117 PolarHBondContact O-N 3.49Å; V114-G117 VanDerWaalsContact O-N 3.12Å; V114-I118 HydrophobicContact CG1-CD1 4.02Å; V114-I118 WeakPolarHBondContact O-CG1 3.32Å; V114-I118 PolarHBondContact O-N 3.45Å; V114-L139 HydrophobicContact CG1-CD1 4.39Å; V114-V156 HydrophobicContact CB-CG2 3.92Å; V114-V156 HydrophobicContact CG1-CG1 4.12Å; V114-V156 HydrophobicContact CG1-CG2 3.94Å
115A98.9Very high98.7Very high3 Ų337.3 Ų37.33%0.02519%0.187CC..Hα-helixtrans-58.4-44175.200000111.3A111 E112 E113 G117 I118 E119 V156 L159 L160A111-A115 WeakPolarHBondContact O-CB 3.38Å; A111-A115 PolarHBondContact O-N 3.36Å; E112-A115 PolarHBondContact O-N 3.19Å; E113-A115 PolarHBondContact O-N 2.8Å; A115-G117 VanDerWaalsContact C-N 3.33Å; A115-G117 PolarHBondContact O-N 2.94Å; A115-I118 PolarHBondContact O-N 3.03Å; A115-E119 WeakPolarHBondContact O-CG 3.3Å; A115-E119 PolarHBondContact O-N 3.31Å; A115-V156 HydrophobicContact CB-CG1 4.5Å; A115-L159 HydrophobicContact CB-CB 3.84Å; A115-L159 HydrophobicContact CB-CD1 4.04Å; A115-L160 HydrophobicContact CB-CD2 4.22Å; A115-L160 HydrophobicContact CB-CG 4.41Å
116G98.8Very high98.7Very high19 Ų1937.4 Ų37.420%0.19619%0.188CC..Hα-helixtrans-64.1-33.6174.700000114E112 E113 V114 E119 A120E112-G116 PolarHBondContact O-N 3.39Å; E113-G116 CarbonylContact O-C 3.52Å; E113-G116 PolarHBondContact O-N 3.49Å; E113-G116 VanDerWaalsContact O-N 3.16Å; V114-G116 VanDerWaalsContact C-N 3.31Å; V114-G116 PolarHBondContact O-N 3.44Å; G116-E119 PolarHBondContact O-N 2.86Å; G116-A120 WeakPolarHBondContact O-CB 3.49Å; G116-A120 PolarHBondContact O-N 3.08Å
117G98.9Very high98.6Very high0 Ų042.5 Ų42.50%022%0.219CC..Hα-helixtrans-65.8-44.2173.300000112.3A9 E113 V114 A115 A120 I121A9-G117 VanDerWaalsContact O-CA 3.32Å; A9-G117 WeakPolarHBondContact O-CA 3.49Å; E113-G117 PolarHBondContact O-N 3.05Å; V114-G117 PolarHBondContact O-N 3.49Å; V114-G117 VanDerWaalsContact O-N 3.12Å; A115-G117 VanDerWaalsContact C-N 3.33Å; A115-G117 PolarHBondContact O-N 2.94Å; G117-A120 WeakPolarHBondContact O-CB 3.21Å; G117-A120 PolarHBondContact O-N 3.27Å; G117-I121 WeakPolarHBondContact O-CG1 3.43Å; G117-I121 PolarHBondContact O-N 3.12Å
118I98.9Very high98.7Very high3 Ų341.7 Ų41.72%0.01522%0.215CC..Hα-helixtrans-64.5-42.4174.7-65.4166.1000110.7T78 V102 V114 A115 A120 I121 V122 V136 V156 L160T78-I118 HydrophobicContact CG2-CG1 3.78Å; V102-I118 VanDerWaalsContact O-CD1 3.32Å; V102-I118 WeakPolarHBondContact O-CD1 3.38Å; V114-I118 HydrophobicContact CG1-CD1 4.02Å; V114-I118 WeakPolarHBondContact O-CG1 3.32Å; V114-I118 PolarHBondContact O-N 3.45Å; A115-I118 PolarHBondContact O-N 3.03Å; I118-A120 VanDerWaalsContact C-N 3.28Å; I118-A120 PolarHBondContact O-N 3.36Å; I118-I121 WeakPolarHBondContact O-CB 3.25Å; I118-I121 PolarHBondContact O-N 2.91Å; I118-I121 VanDerWaalsContact O-N 3.13Å; I118-V122 WeakPolarHBondContact O-CG2 3.44Å; I118-V122 PolarHBondContact O-N 3.06Å; I118-V136 HydrophobicContact CG2-CG1 3.8Å; I118-V136 HydrophobicContact CG2-CG2 4.37Å; I118-V156 HydrophobicContact CD1-CG1 3.99Å; I118-L160 HydrophobicContact CB-CD2 4.03Å; I118-L160 HydrophobicContact CD1-CD1 3.8Å; I118-L160 HydrophobicContact CG2-CD1 4.19Å; I118-L160 HydrophobicContact CG2-CD2 3.8Å
119E98.9Very high98.7Very high37 Ų3733.6 Ų33.617%0.17318%0.178CC..Hα-helixtrans-60.3-38.2173.3-75179.6-151.500112.5A115 G116 I121 V122 R123 S163 L164 L167A115-E119 WeakPolarHBondContact O-CG 3.3Å; A115-E119 PolarHBondContact O-N 3.31Å; G116-E119 PolarHBondContact O-N 2.86Å; E119-I121 VanDerWaalsContact C-N 3.32Å; E119-V122 PolarHBondContact O-N 2.82Å; E119-R123 VanDerWaalsContact O-CG 3.26Å; E119-R123 WeakPolarHBondContact O-CG 3.26Å; E119-R123 PolarHBondContact O-N 2.73Å; E119-R123 IonicContact OE2-CZ 3.95Å; E119-R123 IonicContact OE2-NH2 3.63Å; E119-R123 PolarHBondContact OE2-NH2 2.79Å; E119-S163 WeakPolarHBondContact OE1-CB 3.46Å; E119-S163 PolarHBondContact OE1-OG 3.19Å; E119-L164 HydrophobicContact CG-CD2 4.43Å; E119-L167 HydrophobicContact CB-CD1 4.44Å; E119-L167 HydrophobicContact CG-CD1 4.36Å
120A98.8Very high98.7Very high24 Ų2436 Ų3620%0.19820%0.195CC..Hα-helixtrans-64.1-38.2175.300000111.6A10 L82 G116 G117 I118 R123 L124A10-A120 HydrophobicContact CB-CB 3.84Å; L82-A120 HydrophobicContact CD1-CB 4.07Å; L82-A120 HydrophobicContact CD2-CB 4.19Å; G116-A120 WeakPolarHBondContact O-CB 3.49Å; G116-A120 PolarHBondContact O-N 3.08Å; G117-A120 WeakPolarHBondContact O-CB 3.21Å; G117-A120 PolarHBondContact O-N 3.27Å; I118-A120 VanDerWaalsContact C-N 3.28Å; I118-A120 PolarHBondContact O-N 3.36Å; A120-R123 PolarHBondContact O-N 3.44Å; A120-L124 WeakPolarHBondContact O-CB 3.48Å; A120-L124 PolarHBondContact O-N 2.84Å
121I98.9Very high98.6Very high0 Ų036.6 Ų36.60%019%0.193CC..Hα-helixtrans-60.8-49.9173-68.1167.6000110.1T78 V81 L82 L85 V100 V102 G117 I118 E119 R123 L124 I125T78-I121 HydrophobicContact CG2-CD1 4.27Å; V81-I121 HydrophobicContact CB-CD1 3.97Å; V81-I121 HydrophobicContact CG1-CD1 3.87Å; V81-I121 HydrophobicContact CG1-CG1 4.37Å; V81-I121 HydrophobicContact CG1-CG2 4.46Å; L82-I121 HydrophobicContact CD1-CG1 4.39Å; L82-I121 HydrophobicContact CD2-CB 4.32Å; L82-I121 HydrophobicContact CD2-CG1 3.65Å; L82-I121 HydrophobicContact CG-CD1 4.42Å; L82-I121 HydrophobicContact CG-CG1 3.53Å; L85-I121 HydrophobicContact CD1-CG2 3.82Å; V100-I121 HydrophobicContact CG1-CG2 3.93Å; V100-I121 HydrophobicContact CG2-CG2 4.11Å; V102-I121 HydrophobicContact CG1-CD1 3.58Å; G117-I121 WeakPolarHBondContact O-CG1 3.43Å; G117-I121 PolarHBondContact O-N 3.12Å; I118-I121 WeakPolarHBondContact O-CB 3.25Å; I118-I121 PolarHBondContact O-N 2.91Å; I118-I121 VanDerWaalsContact O-N 3.13Å; E119-I121 VanDerWaalsContact C-N 3.32Å; I121-R123 VanDerWaalsContact C-N 3.35Å; I121-R123 PolarHBondContact O-N 2.91Å; I121-L124 WeakPolarHBondContact O-CB 3.15Å; I121-L124 PolarHBondContact O-N 2.98Å; I121-I125 HydrophobicContact CG2-CD1 3.65Å; I121-I125 HydrophobicContact CG2-CG1 4.4Å; I121-I125 WeakPolarHBondContact O-CG1 3.38Å; I121-I125 PolarHBondContact O-N 2.86Å
122V98.9Very high98.6Very high0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-60-44.6179.2173.40000111.3I118 E119 L124 I125 N126 V134 V136 L164 L167 V170I118-V122 WeakPolarHBondContact O-CG2 3.44Å; I118-V122 PolarHBondContact O-N 3.06Å; E119-V122 PolarHBondContact O-N 2.82Å; V122-L124 VanDerWaalsContact C-N 3.34Å; V122-L124 PolarHBondContact O-N 2.72Å; V122-I125 PolarHBondContact O-N 2.97Å; V122-N126 WeakPolarHBondContact O-CB 3.3Å; V122-N126 VanDerWaalsContact O-CG 3.29Å; V122-N126 PolarHBondContact O-N 2.97Å; V122-V134 HydrophobicContact CG2-CG1 4.24Å; V122-V136 HydrophobicContact CG2-CG2 3.65Å; V122-L164 HydrophobicContact CG2-CD2 4.1Å; V122-L167 HydrophobicContact CB-CD1 4.14Å; V122-L167 HydrophobicContact CG1-CB 4.39Å; V122-L167 HydrophobicContact CG1-CD1 3.77Å; V122-V170 HydrophobicContact CG1-CB 3.86Å; V122-V170 HydrophobicContact CG1-CG1 3.97Å; V122-V170 HydrophobicContact CG1-CG2 3.88Å; V122-V170 HydrophobicContact CG2-CG2 4.12Å
123R98.8Very high98.6Very high122 Ų12233.2 Ų33.246%0.4618%0.175SC..Hα-helixtrans-61.9-41.5177.1-70.1171.9-150.3-86.90111.8E119 A120 I121 T127 L167E119-R123 VanDerWaalsContact O-CG 3.26Å; E119-R123 WeakPolarHBondContact O-CG 3.26Å; E119-R123 PolarHBondContact O-N 2.73Å; E119-R123 IonicContact OE2-CZ 3.95Å; E119-R123 IonicContact OE2-NH2 3.63Å; E119-R123 PolarHBondContact OE2-NH2 2.79Å; A120-R123 PolarHBondContact O-N 3.44Å; I121-R123 VanDerWaalsContact C-N 3.35Å; I121-R123 PolarHBondContact O-N 2.91Å; R123-T127 WeakPolarHBondContact O-CB 3.36Å; R123-T127 PolarHBondContact O-N 3.03Å; R123-T127 PolarHBondContact O-OG1 2.75Å; R123-L167 HydrophobicContact CG-CD1 4.37Å; R123-L167 HydrophobicContact CG-CD2 4.29Å; R123-L167 VanDerWaalsContact CZ-CD2 3.48Å
124L98.8Very high98.6Very high21 Ų2130.8 Ų30.811%0.1116%0.164CC..Hα-helixtrans-60.8-48.8175.6178.467.3000110.9L82 L85 K86 A120 I121 V122 T127 Q128L82-L124 HydrophobicContact CD2-CB 4.47Å; L82-L124 HydrophobicContact CD2-CD2 4.07Å; L85-L124 HydrophobicContact CB-CD2 3.63Å; L85-L124 HydrophobicContact CD1-CD2 4.4Å; K86-L124 HydrophobicContact CG-CD1 3.82Å; K86-L124 HydrophobicContact CG-CD2 3.62Å; K86-L124 HydrophobicContact CG-CG 4.38Å; A120-L124 WeakPolarHBondContact O-CB 3.48Å; A120-L124 PolarHBondContact O-N 2.84Å; I121-L124 WeakPolarHBondContact O-CB 3.15Å; I121-L124 PolarHBondContact O-N 2.98Å; V122-L124 VanDerWaalsContact C-N 3.34Å; V122-L124 PolarHBondContact O-N 2.72Å; L124-T127 WeakPolarHBondContact O-CB 3.47Å; L124-T127 PolarHBondContact O-N 2.98Å; L124-T127 VanDerWaalsContact O-N 3.15Å; L124-Q128 HydrophobicContact CD1-CG 4.28Å; L124-Q128 PolarHBondContact O-N 3.26Å
125I98.8Very high98.6Very high0 Ų030.8 Ų30.80%016%0.164CC..Hα-helixtrans-58.8-51.8177.7-69.7165000110.3L85 L90 I98 V100 I121 V122 T127 Q128 Q129 V134L85-I125 HydrophobicContact CD1-CD1 4.17Å; L85-I125 HydrophobicContact CD1-CG1 4.05Å; L90-I125 HydrophobicContact CD1-CG1 4.28Å; I98-I125 HydrophobicContact CB-CG2 4.39Å; I98-I125 HydrophobicContact CD1-CG2 3.38Å; I98-I125 HydrophobicContact CG1-CG2 4.44Å; I98-I125 HydrophobicContact CG2-CD1 3.93Å; I98-I125 HydrophobicContact CG2-CG2 4.5Å; V100-I125 HydrophobicContact CG2-CD1 3.5Å; V100-I125 VanDerWaalsContact CG2-CD1 3.5Å; I121-I125 HydrophobicContact CG2-CD1 3.65Å; I121-I125 HydrophobicContact CG2-CG1 4.4Å; I121-I125 WeakPolarHBondContact O-CG1 3.38Å; I121-I125 PolarHBondContact O-N 2.86Å; V122-I125 PolarHBondContact O-N 2.97Å; I125-T127 PolarHBondContact O-N 2.88Å; I125-T127 VanDerWaalsContact O-N 3.12Å; I125-Q128 PolarHBondContact O-N 3.11Å; I125-Q128 VanDerWaalsContact O-N 3.17Å; I125-Q129 HydrophobicContact CG2-CB 4.43Å; I125-Q129 CarbonylContact O-C 3.54Å; I125-Q129 WeakPolarHBondContact O-CA 3.4Å; I125-Q129 WeakPolarHBondContact O-CB 3.43Å; I125-Q129 PolarHBondContact O-N 3.27Å; I125-V134 HydrophobicContact CB-CG2 4.35Å; I125-V134 HydrophobicContact CG2-CG2 3.54Å
126N98.5Very high98.6Very high20 Ų2030.8 Ų30.811%0.10716%0.164CC..Hα-helixtrans-60.2-26178.6-72.6-16.4000113.4V122 P130 P168V122-N126 WeakPolarHBondContact O-CB 3.3Å; V122-N126 VanDerWaalsContact O-CG 3.29Å; V122-N126 PolarHBondContact O-N 2.97Å; N126-P130 WeakPolarHBondContact O-CA 3.36Å; N126-P168 HydrophobicContact CB-CG 4.37Å; N126-P168 PolarHBondContact ND2-O 3.34Å
127T98.4Very high98.6Very high111 Ų11130.2 Ų30.268%0.68116%0.156SC*.Hα-helixtrans-77.9-45.3176.7-56.30000111.5R123 L124 I125R123-T127 WeakPolarHBondContact O-CB 3.36Å; R123-T127 PolarHBondContact O-N 3.03Å; R123-T127 PolarHBondContact O-OG1 2.75Å; L124-T127 WeakPolarHBondContact O-CB 3.47Å; L124-T127 PolarHBondContact O-N 2.98Å; L124-T127 VanDerWaalsContact O-N 3.15Å; I125-T127 PolarHBondContact O-N 2.88Å; I125-T127 VanDerWaalsContact O-N 3.12Å
128Q98.4Very high98.6Very high74 Ų7430.4 Ų30.435%0.34616%0.158SC..Hα-helixtrans-86.8-27.3-175.2-64.4-164.118.500113.6L90 L124 I125 P130L90-Q128 HydrophobicContact CD1-CB 4.15Å; L124-Q128 HydrophobicContact CD1-CG 4.28Å; L124-Q128 PolarHBondContact O-N 3.26Å; I125-Q128 PolarHBondContact O-N 3.11Å; I125-Q128 VanDerWaalsContact O-N 3.17Å; Q128-P130 VanDerWaalsContact C-CD 3.44Å
129Q98.2Very high98.5Very high10 Ų1030.6 Ų30.65%0.04716%0.159CC..  trans-130.359.8-175.7-62-67.2-2400109.5L90 I93 I98 I125 Q131 A132L90-Q129 HydrophobicContact CB-CG 4.4Å; L90-Q129 HydrophobicContact CD1-CG 4.47Å; L90-Q129 HydrophobicContact CD2-CG 4.16Å; L90-Q129 PolarHBondContact O-NE2 2.92Å; I93-Q129 PolarHBondContact O-NE2 3.5Å; I93-Q129 PolarHBondContact O-OE1 3.24Å; I98-Q129 HydrophobicContact CD1-CB 3.98Å; I98-Q129 HydrophobicContact CD1-CG 4.12Å; I125-Q129 HydrophobicContact CG2-CB 4.43Å; I125-Q129 CarbonylContact O-C 3.54Å; I125-Q129 WeakPolarHBondContact O-CA 3.4Å; I125-Q129 WeakPolarHBondContact O-CB 3.43Å; I125-Q129 PolarHBondContact O-N 3.27Å; Q129-Q131 PolarHBondContact O-N 3.28Å; Q129-Q131 VanDerWaalsContact O-N 3.09Å; Q129-A132 HydrophobicContact CB-CB 4.01Å; Q129-A132 WeakPolarHBondContact O-CB 3.47Å; Q129-A132 PolarHBondContact O-N 3.2Å
130P97.8Very high98.5Very high81 Ų8129.8 Ų29.853%0.52616%0.156SC..THydrogen-bonded Turntrans-62.9-19.5-172.726.7-36.2000114N126 Q128 N169N126-P130 WeakPolarHBondContact O-CA 3.36Å; Q128-P130 VanDerWaalsContact C-CD 3.44Å; P130-N169 PolarHBondContact O-ND2 3.23Å
131Q97.1Very high98.5Very high81 Ų8130.3 Ų30.338%0.37916%0.157SC..THydrogen-bonded Turntrans-77.8-22.3174.481.9-65.7-23.100113.4P95 Q129P95-Q131 PolarHBondContact O-NE2 3.1Å; P95-Q131 VanDerWaalsContact O-NE2 3.14Å; Q129-Q131 PolarHBondContact O-N 3.28Å; Q129-Q131 VanDerWaalsContact O-N 3.09Å
132A98.3Very high98.4Very high0 Ų032 Ų320%016%0.164CC..PPolyproline II helixtrans-75.3142.1-173.300000111.2P95 K96 I98 Q129P95-A132 WeakPolarHBondContact O-CB 3.48Å; K96-A132 WeakPolarHBondContact O-CA 3.46Å; I98-A132 HydrophobicContact CD1-CB 3.66Å; I98-A132 HydrophobicContact CG1-CB 3.96Å; Q129-A132 HydrophobicContact CB-CB 4.01Å; Q129-A132 WeakPolarHBondContact O-CB 3.47Å; Q129-A132 PolarHBondContact O-N 3.2Å
133K98.7Very high98.4Very high40 Ų4033.2 Ų33.217%0.17418%0.176CC..EExtended strand (participates in β ladder)trans-91.3129.2165.8-59.9-177.2-177.1177.10109.1K96 V97 I98 N169 L216 E219K96-K133 PolarHBondContact O-N 2.74Å; V97-K133 CarbonylContact C-O 3.55Å; V97-K133 VanDerWaalsContact CA-O 3.28Å; V97-K133 WeakPolarHBondContact CA-O 3.45Å; I98-K133 PolarHBondContact N-O 3.3Å; K133-N169 CarbonylContact C-O 3.57Å; K133-L216 HydrophobicContact CB-CD1 4.27Å; K133-L216 HydrophobicContact CD-CB 3.94Å; K133-L216 HydrophobicContact CD-CD2 3.7Å; K133-L216 HydrophobicContact CD-CG 4.24Å; K133-L216 PolarHBondContact NZ-O 3.01Å; K133-L216 VanDerWaalsContact NZ-O 3.17Å; K133-E219 IonicContact NZ-OE2 3.89Å; K133-E219 PolarHBondContact NZ-OE2 2.91Å
134V98.9Very high98.4Very high1 Ų131.9 Ų31.91%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-101.2127.2-175.8-1730000110.4I98 V100 V122 I125 V136 N169 V170 Q171I98-V134 CarbonylContact O-C 3.49Å; I98-V134 VanDerWaalsContact O-CA 3.3Å; I98-V134 WeakPolarHBondContact O-CA 3.32Å; V100-V134 HydrophobicContact CG2-CG1 3.96Å; V122-V134 HydrophobicContact CG2-CG1 4.24Å; I125-V134 HydrophobicContact CB-CG2 4.35Å; I125-V134 HydrophobicContact CG2-CG2 3.54Å; V134-V136 HydrophobicContact CG1-CG2 4.32Å; V134-N169 PolarHBondContact N-O 2.91Å; V134-V170 HydrophobicContact CB-CB 4.04Å; V134-V170 HydrophobicContact CB-CG2 3.91Å; V134-V170 HydrophobicContact CG1-CG2 3.99Å; V134-V170 CarbonylContact O-C 3.49Å; V134-V170 VanDerWaalsContact O-CA 3.26Å; V134-V170 WeakPolarHBondContact O-CA 3.37Å; V134-Q171 PolarHBondContact O-N 3.45Å
135I98.9Very high98.4Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-106.3121.2167.9-54.7172.5000107.4V97 I98 V99 V100 L173 L209 L212 I213 L216V97-I135 HydrophobicContact CG1-CD1 3.84Å; V97-I135 HydrophobicContact CG1-CG1 4.13Å; I98-I135 PolarHBondContact O-N 2.86Å; V99-I135 CarbonylContact C-O 3.37Å; V99-I135 WeakPolarHBondContact CA-O 3.35Å; V99-I135 HydrophobicContact CG2-CB 4.44Å; V99-I135 HydrophobicContact CG2-CD1 4.32Å; V100-I135 PolarHBondContact N-O 3.41Å; I135-L173 HydrophobicContact CG2-CB 3.8Å; I135-L173 HydrophobicContact CG2-CD2 4.49Å; I135-L209 HydrophobicContact CD1-CD1 4.12Å; I135-L209 HydrophobicContact CG2-CD1 4.17Å; I135-L212 HydrophobicContact CD1-CD2 3.76Å; I135-L212 HydrophobicContact CD1-CG 3.83Å; I135-L212 HydrophobicContact CG1-CD2 3.99Å; I135-L212 HydrophobicContact CG1-CG 4.41Å; I135-L212 HydrophobicContact CG2-CD2 3.94Å; I135-I213 HydrophobicContact CD1-CG1 3.61Å; I135-L216 HydrophobicContact CD1-CD1 3.78Å; I135-L216 HydrophobicContact CG1-CD1 3.68Å
136V98.9Very high98.4Very high3 Ų341.7 Ų41.72%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-97.9122.3168179.60000107.9V100 I118 V122 V134 L160 L164 V170 Q171 L172 L173V100-V136 HydrophobicContact CB-CG2 4.39Å; V100-V136 WeakPolarHBondContact O-CA 3.43Å; I118-V136 HydrophobicContact CG2-CG1 3.8Å; I118-V136 HydrophobicContact CG2-CG2 4.37Å; V122-V136 HydrophobicContact CG2-CG2 3.65Å; V134-V136 HydrophobicContact CG1-CG2 4.32Å; V136-L160 HydrophobicContact CG1-CD1 4.21Å; V136-L164 HydrophobicContact CB-CD1 3.69Å; V136-L164 HydrophobicContact CG1-CD1 4.1Å; V136-L164 HydrophobicContact CG2-CD1 3.72Å; V136-L164 HydrophobicContact CG2-CD2 4.46Å; V136-V170 HydrophobicContact CG2-CG2 3.87Å; V136-Q171 PolarHBondContact N-O 3.2Å; V136-L172 HydrophobicContact CB-CD1 4.36Å; V136-L172 HydrophobicContact CG1-CD1 4.16Å; V136-L172 CarbonylContact O-C 3.51Å; V136-L172 WeakPolarHBondContact O-CA 3.45Å; V136-L173 PolarHBondContact O-N 2.82Å
137L98.8Very high98.4Very high6 Ų642.5 Ų42.53%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-82.6134.1172.6-78.5169.7000110.4V99 V100 W101 L173 I205 L209V99-L137 HydrophobicContact CG1-CD1 3.9Å; V99-L137 HydrophobicContact CG1-CG 4.24Å; V100-L137 PolarHBondContact O-N 3.12Å; W101-L137 HydrophobicContact CB-CB 3.94Å; W101-L137 HydrophobicContact CB-CD1 4.03Å; W101-L137 HydrophobicContact CD2-CB 3.84Å; W101-L137 HydrophobicContact CD2-CD1 3.55Å; W101-L137 HydrophobicContact CD2-CG 4.35Å; W101-L137 HydrophobicContact CE3-CD1 3.52Å; W101-L137 HydrophobicContact CG-CB 3.49Å; W101-L137 VanDerWaalsContact CG-CB 3.49Å; W101-L137 HydrophobicContact CG-CD1 3.83Å; W101-L137 HydrophobicContact CG-CG 4.31Å; W101-L137 HydrophobicContact CZ3-CD1 4.06Å; L137-L173 HydrophobicContact CD2-CB 4.04Å; L137-L173 HydrophobicContact CD2-CD2 3.74Å; L137-L173 HydrophobicContact CD2-CG 3.93Å; L137-I205 HydrophobicContact CD2-CG2 4.48Å; L137-L209 HydrophobicContact CD1-CD1 4.47Å; L137-L209 HydrophobicContact CD1-CD2 3.87Å; L137-L209 HydrophobicContact CD2-CD1 4.22Å; L137-L209 HydrophobicContact CG-CD1 4.47Å
138G98.3Very high98.4Very high5 Ų542 Ų425%0.05223%0.23CC..PPolyproline II helixtrans-59.4146.6174.300000112.4W101 L140 L173W101-G138 PolarHBondContact NE1-O 3.17Å; G138-L140 PolarHBondContact O-N 3.32Å; G138-L173 PolarHBondContact N-O 2.68Å
139L98.4Very high98.4Very high7 Ų741.2 Ų41.24%0.03723%0.227CC..PPolyproline II helixtrans-69.1128.4173.1-59.6-171000109.9V102 V114 N153 V156 N157V102-L139 WeakPolarHBondContact O-CD2 3.4Å; V114-L139 HydrophobicContact CG1-CD1 4.39Å; L139-N153 HydrophobicContact CB-CB 3.74Å; L139-N153 HydrophobicContact CD1-CB 4.36Å; L139-V156 HydrophobicContact CD1-CB 3.87Å; L139-V156 HydrophobicContact CD1-CG1 3.72Å; L139-V156 HydrophobicContact CD1-CG2 4.04Å; L139-V156 HydrophobicContact CG-CG1 4.17Å; L139-N157 PolarHBondContact N-ND2 3.38Å; L139-N157 PolarHBondContact N-OD1 2.97Å; L139-N157 PolarHBondContact O-ND2 3.31Å
140L98.3Very high98.4Very high20 Ų2042 Ų4211%0.10523%0.23CC..PPolyproline II helixtrans-75.2157.4-179.8-63.2-173.9000112.3M49 W101 G138 N153 F179 M191 L197 I205M49-L140 HydrophobicContact CE-CD1 3.8Å; W101-L140 HydrophobicContact CH2-CD1 4.11Å; W101-L140 HydrophobicContact CZ2-CD1 3.69Å; W101-L140 HydrophobicContact CZ2-CD2 4.29Å; W101-L140 HydrophobicContact CZ2-CG 3.77Å; G138-L140 PolarHBondContact O-N 3.32Å; L140-N153 PolarHBondContact O-ND2 3.4Å; L140-F179 HydrophobicContact CD1-CD2 4.48Å; L140-F179 HydrophobicContact CD1-CE2 3.83Å; L140-F179 HydrophobicContact CD2-CD2 4.28Å; L140-F179 HydrophobicContact CD2-CE2 3.97Å; L140-F179 HydrophobicContact CG-CE2 4.48Å; L140-M191 HydrophobicContact CB-CE 4.1Å; L140-M191 HydrophobicContact CD1-CE 3.99Å; L140-L197 HydrophobicContact CD1-CD1 3.89Å; L140-L197 HydrophobicContact CD1-CD2 4Å; L140-L197 HydrophobicContact CD1-CG 4.2Å; L140-I205 HydrophobicContact CD2-CD1 4.1Å
141P98Very high98.5Very high35 Ų3544.9 Ų44.923%0.22724%0.237CC..PPolyproline II helixtrans-64.4153.1165.131.9-37.4000110.4R150 F179 V180 I186 M191P141-R150 HydrophobicContact CB-CG 4.23Å; P141-F179 HydrophobicContact CG-CB 4.03Å; P141-V180 HydrophobicContact CB-CG2 3.72Å; P141-V180 HydrophobicContact CG-CG2 3.79Å; P141-I186 HydrophobicContact CB-CD1 3.94Å; P141-I186 HydrophobicContact CG-CD1 4.14Å; P141-M191 WeakPolarHBondContact O-CE 3.33Å
142R98.4Very high98.5Very high36 Ų3642.7 Ų42.714%0.13623%0.226CC..  trans-143.6166.4179.163.1-174.5-72.5164.3-4.4112.4T104 N147 L149 R150 F194 L195T104-R142 PolarHBondContact O-NH1 3.4Å; T104-R142 VanDerWaalsContact O-NH1 3.12Å; T104-R142 WeakPolarHBondContact OG1-CD 3.24Å; T104-R142 PolarHBondContact OG1-NH1 3.44Å; R142-N147 PolarHBondContact O-ND2 3.49Å; R142-L149 HydrophobicContact CG-CB 4.07Å; R142-R150 WeakPolarHBondContact O-CG 3.42Å; R142-R150 PolarHBondContact O-NE 2.75Å; R142-F194 CarbonylContact C-O 3.53Å; R142-F194 WeakPolarHBondContact CA-O 3.35Å; R142-L195 HydrophobicContact CB-CD1 4.08Å
143G98.6Very high98.6Very high25 Ų2543 Ų4326%0.25823%0.227SC..SBendtrans74150.7-173.700000112.2K145 R150 I186 F194G143-K145 PolarHBondContact O-N 3.04Å; G143-R150 PolarHBondContact O-NH2 3.05Å; G143-I186 WeakPolarHBondContact O-CD1 3.38Å; G143-F194 PolarHBondContact N-O 3.38Å
144E98.6Very high98.5Very high93 Ų9343.8 Ų43.844%0.43524%0.242SC..SBendtrans-61-42.9-176.6-175.3-168.3-174.700112.3R150 T185 I186 F194E144-R150 PolarHBondContact O-NH2 2.92Å; E144-T185 CarbonylContact O-C 3.56Å; E144-T185 WeakPolarHBondContact O-CA 3.17Å; E144-I186 PolarHBondContact O-N 3.48Å; E144-F194 HydrophobicContact CB-CD1 3.74Å; E144-F194 HydrophobicContact CB-CD2 4.2Å; E144-F194 HydrophobicContact CB-CE1 3.75Å; E144-F194 HydrophobicContact CB-CE2 4.21Å; E144-F194 HydrophobicContact CB-CG 3.96Å; E144-F194 HydrophobicContact CB-CZ 3.99Å; E144-F194 HydrophobicContact CG-CD1 4.14Å; E144-F194 HydrophobicContact CG-CE1 3.7Å; E144-F194 HydrophobicContact CG-CZ 3.99Å
145K98.7Very high98.5Very high130 Ų13047.3 Ų47.357%0.56526%0.257SS*.SBendtrans-117.3167.2-174-68.1-177-175.5176.40112.1G143 N147 R150G143-K145 PolarHBondContact O-N 3.04Å; K145-N147 PolarHBondContact O-N 2.93Å; K145-N147 PolarHBondContact O-ND2 3.17Å; K145-R150 PolarHBondContact O-NH2 2.98Å
146P98.6Very high98.5Very high98 Ų9847.3 Ų47.364%0.63626%0.257SS*.  trans-51.5131.5175.1-27.636.5000112.3
147N98.7Very high98.5Very high36 Ų3647.8 Ų47.819%0.19326%0.259CS..  trans-154.6165.3-176.466.577.1000111.4R142 K145 L149 R150R142-N147 PolarHBondContact O-ND2 3.49Å; K145-N147 PolarHBondContact O-N 2.93Å; K145-N147 PolarHBondContact O-ND2 3.17Å; N147-L149 VanDerWaalsContact C-N 3.27Å; N147-L149 PolarHBondContact O-N 3.48Å; N147-L149 WeakPolarHBondContact OD1-CA 3.31Å; N147-L149 VanDerWaalsContact OD1-CB 3.32Å; N147-L149 WeakPolarHBondContact OD1-CB 3.37Å; N147-L149 PolarHBondContact OD1-N 3.15Å; N147-R150 PolarHBondContact O-N 3.39Å; N147-R150 PolarHBondContact OD1-N 2.97Å
148P98.7Very high98.5Very high101 Ų10153.2 Ų53.266%0.65628%0.284SS*.Hα-helixtrans-59.5-31-177.7-26.936.3000114.7R150 Q151 K152P148-R150 VanDerWaalsContact C-N 3.33Å; P148-R150 PolarHBondContact O-N 2.82Å; P148-Q151 WeakPolarHBondContact O-CB 3.33Å; P148-Q151 PolarHBondContact O-N 2.77Å; P148-K152 PolarHBondContact O-N 2.7Å
149L98.6Very high98.5Very high57 Ų5755.1 Ų55.130%0.29829%0.293SS..Hα-helixtrans-70-30.3-179.5-59.9176.5000112.2R142 N147 Q151 K152 N153R142-L149 HydrophobicContact CG-CB 4.07Å; N147-L149 VanDerWaalsContact C-N 3.27Å; N147-L149 PolarHBondContact O-N 3.48Å; N147-L149 WeakPolarHBondContact OD1-CA 3.31Å; N147-L149 VanDerWaalsContact OD1-CB 3.32Å; N147-L149 WeakPolarHBondContact OD1-CB 3.37Å; N147-L149 PolarHBondContact OD1-N 3.15Å; L149-Q151 VanDerWaalsContact C-N 3.35Å; L149-K152 HydrophobicContact CD2-CD 4.27Å; L149-K152 PolarHBondContact O-N 3.02Å; L149-N153 WeakPolarHBondContact O-CB 3.5Å; L149-N153 PolarHBondContact O-N 3Å; L149-N153 PolarHBondContact O-OD1 2.79Å
150R98.1Very high98.5Very high27 Ų2754.8 Ų54.810%0.10229%0.292CS..Hα-helixtrans-62.9-43.2170.2-66.5-170.3-173.6178.25.4111.5P141 R142 G143 E144 K145 N147 P148 A154 G184P141-R150 HydrophobicContact CB-CG 4.23Å; R142-R150 WeakPolarHBondContact O-CG 3.42Å; R142-R150 PolarHBondContact O-NE 2.75Å; G143-R150 PolarHBondContact O-NH2 3.05Å; E144-R150 PolarHBondContact O-NH2 2.92Å; K145-R150 PolarHBondContact O-NH2 2.98Å; N147-R150 PolarHBondContact O-N 3.39Å; N147-R150 PolarHBondContact OD1-N 2.97Å; P148-R150 VanDerWaalsContact C-N 3.33Å; P148-R150 PolarHBondContact O-N 2.82Å; R150-A154 VanDerWaalsContact O-CB 3.31Å; R150-A154 WeakPolarHBondContact O-CB 3.18Å; R150-A154 PolarHBondContact O-N 3.17Å; R150-G184 PolarHBondContact NH1-O 3.43Å; R150-G184 PolarHBondContact NH2-O 3.27Å
151Q98.4Very high98.5Very high142 Ų14260.6 Ų60.666%0.66432%0.316SS*.Hα-helixtrans-65.5-42.3178.1-60.2175.921.900111P148 L149 A154 K155P148-Q151 WeakPolarHBondContact O-CB 3.33Å; P148-Q151 PolarHBondContact O-N 2.77Å; L149-Q151 VanDerWaalsContact C-N 3.35Å; Q151-A154 PolarHBondContact O-N 2.81Å; Q151-K155 WeakPolarHBondContact O-CB 3.42Å; Q151-K155 PolarHBondContact O-N 3.46Å
152K98.8Very high98.5Very high35 Ų3561.9 Ų61.915%0.15233%0.33CS..Hα-helixtrans-59-52.6174.9-176.3-176.6-178.6173.20111.8N106 H107 N109 A111 P148 L149 A154 K155 V156N106-K152 PolarHBondContact O-NZ 2.93Å; H107-K152 PolarHBondContact O-NZ 2.91Å; N109-K152 WeakPolarHBondContact O-CE 3.43Å; N109-K152 PolarHBondContact O-NZ 2.94Å; A111-K152 HydrophobicContact CB-CG 4.28Å; P148-K152 PolarHBondContact O-N 2.7Å; L149-K152 HydrophobicContact CD2-CD 4.27Å; L149-K152 PolarHBondContact O-N 3.02Å; K152-A154 PolarHBondContact O-N 3.02Å; K152-K155 WeakPolarHBondContact O-CB 3.46Å; K152-K155 PolarHBondContact O-N 2.94Å; K152-K155 VanDerWaalsContact O-N 3.13Å; K152-V156 WeakPolarHBondContact O-CG2 3.45Å; K152-V156 PolarHBondContact O-N 2.81Å
153N98.6Very high98.5Very high5 Ų561 Ų613%0.02733%0.328CS..Hα-helixtrans-61.8-43-180-75.19.5000111.5T104 L139 L140 L149 K155 V156 N157T104-N153 PolarHBondContact OG1-ND2 3.14Å; L139-N153 HydrophobicContact CB-CB 3.74Å; L139-N153 HydrophobicContact CD1-CB 4.36Å; L140-N153 PolarHBondContact O-ND2 3.4Å; L149-N153 WeakPolarHBondContact O-CB 3.5Å; L149-N153 PolarHBondContact O-N 3Å; L149-N153 PolarHBondContact O-OD1 2.79Å; N153-K155 VanDerWaalsContact C-N 3.3Å; N153-K155 PolarHBondContact O-N 3.12Å; N153-V156 WeakPolarHBondContact O-CB 3.32Å; N153-V156 PolarHBondContact O-N 3.26Å; N153-N157 PolarHBondContact O-N 3.01Å; N153-N157 PolarHBondContact O-OD1 3.3Å
154A98.1Very high98.5Very high58 Ų5859.8 Ų59.848%0.47932%0.316SS..Hα-helixtrans-60.9-39.3174.700000112.1R150 Q151 K152 N157 Q158R150-A154 VanDerWaalsContact O-CB 3.31Å; R150-A154 WeakPolarHBondContact O-CB 3.18Å; R150-A154 PolarHBondContact O-N 3.17Å; Q151-A154 PolarHBondContact O-N 2.81Å; K152-A154 PolarHBondContact O-N 3.02Å; A154-N157 PolarHBondContact O-N 3.2Å; A154-Q158 PolarHBondContact O-N 2.96Å
155K98.7Very high98.5Very high75 Ų7560.1 Ų60.133%0.32633%0.326SS..Hα-helixtrans-65.3-41.1175.9-177.760.9-179.7-179.90111.9A111 E112 Q151 K152 N153 Q158 L159A111-K155 HydrophobicContact CB-CB 3.76Å; A111-K155 HydrophobicContact CB-CG 3.51Å; E112-K155 WeakPolarHBondContact OE1-CE 3.48Å; Q151-K155 WeakPolarHBondContact O-CB 3.42Å; Q151-K155 PolarHBondContact O-N 3.46Å; K152-K155 WeakPolarHBondContact O-CB 3.46Å; K152-K155 PolarHBondContact O-N 2.94Å; K152-K155 VanDerWaalsContact O-N 3.13Å; N153-K155 VanDerWaalsContact C-N 3.3Å; N153-K155 PolarHBondContact O-N 3.12Å; K155-Q158 VanDerWaalsContact NZ-OE1 3.14Å; K155-Q158 WeakPolarHBondContact O-CB 3.43Å; K155-Q158 PolarHBondContact O-N 3.21Å; K155-L159 HydrophobicContact CD-CG 4.47Å; K155-L159 HydrophobicContact CG-CD1 4.25Å; K155-L159 VanDerWaalsContact O-CG 3.3Å; K155-L159 WeakPolarHBondContact O-CG 3.45Å; K155-L159 PolarHBondContact O-N 3.24Å
156V98.8Very high98.4Very high0 Ų061.9 Ų61.90%033%0.334CS..Hα-helixtrans-57.4-50.5173.1173.90000110.3A111 V114 A115 I118 L139 K152 N153 Q158 L159 L160A111-V156 HydrophobicContact CB-CG2 3.85Å; V114-V156 HydrophobicContact CB-CG2 3.92Å; V114-V156 HydrophobicContact CG1-CG1 4.12Å; V114-V156 HydrophobicContact CG1-CG2 3.94Å; A115-V156 HydrophobicContact CB-CG1 4.5Å; I118-V156 HydrophobicContact CD1-CG1 3.99Å; L139-V156 HydrophobicContact CD1-CB 3.87Å; L139-V156 HydrophobicContact CD1-CG1 3.72Å; L139-V156 HydrophobicContact CD1-CG2 4.04Å; L139-V156 HydrophobicContact CG-CG1 4.17Å; K152-V156 WeakPolarHBondContact O-CG2 3.45Å; K152-V156 PolarHBondContact O-N 2.81Å; N153-V156 WeakPolarHBondContact O-CB 3.32Å; N153-V156 PolarHBondContact O-N 3.26Å; V156-Q158 VanDerWaalsContact C-N 3.3Å; V156-Q158 PolarHBondContact O-N 2.9Å; V156-L159 PolarHBondContact O-N 3.13Å; V156-L159 VanDerWaalsContact O-N 3.11Å; V156-L160 HydrophobicContact CG1-CD1 3.75Å; V156-L160 HydrophobicContact CG1-CG 4.17Å; V156-L160 WeakPolarHBondContact O-CG 3.36Å; V156-L160 PolarHBondContact O-N 3.05Å
157N98.6Very high98.4Very high12 Ų1258.1 Ų58.16%0.06431%0.309CS..Hα-helixtrans-59.8-41.2179.8-63.3-5.4000111.7L139 N153 A154 L159 L160 K161L139-N157 PolarHBondContact N-ND2 3.38Å; L139-N157 PolarHBondContact N-OD1 2.97Å; L139-N157 PolarHBondContact O-ND2 3.31Å; N153-N157 PolarHBondContact O-N 3.01Å; N153-N157 PolarHBondContact O-OD1 3.3Å; A154-N157 PolarHBondContact O-N 3.2Å; N157-L159 PolarHBondContact O-N 2.9Å; N157-L160 PolarHBondContact O-N 3.49Å; N157-K161 VanDerWaalsContact O-CB 3.31Å; N157-K161 WeakPolarHBondContact O-CB 3.43Å; N157-K161 PolarHBondContact O-N 2.94Å
158Q98.5Very high98.3Very high120 Ų12060.2 Ų60.256%0.56132%0.324SS*.Hα-helixtrans-59.4-45.5175.3-172.4-168.523.800112A154 K155 V156 A162A154-Q158 PolarHBondContact O-N 2.96Å; K155-Q158 VanDerWaalsContact NZ-OE1 3.14Å; K155-Q158 WeakPolarHBondContact O-CB 3.43Å; K155-Q158 PolarHBondContact O-N 3.21Å; V156-Q158 VanDerWaalsContact C-N 3.3Å; V156-Q158 PolarHBondContact O-N 2.9Å; Q158-A162 PolarHBondContact O-N 3.45Å
159L98.7Very high98.2Very high46 Ų4659.6 Ų59.624%0.24132%0.315CS..Hα-helixtrans-65.3-47.2179.5-69170000111A111 E112 A115 K155 V156 N157 K161 A162 S163A111-L159 HydrophobicContact CB-CD1 4.49Å; E112-L159 HydrophobicContact CB-CD1 4.43Å; E112-L159 HydrophobicContact CG-CD1 3.99Å; A115-L159 HydrophobicContact CB-CB 3.84Å; A115-L159 HydrophobicContact CB-CD1 4.04Å; K155-L159 HydrophobicContact CD-CG 4.47Å; K155-L159 HydrophobicContact CG-CD1 4.25Å; K155-L159 VanDerWaalsContact O-CG 3.3Å; K155-L159 WeakPolarHBondContact O-CG 3.45Å; K155-L159 PolarHBondContact O-N 3.24Å; V156-L159 PolarHBondContact O-N 3.13Å; V156-L159 VanDerWaalsContact O-N 3.11Å; N157-L159 PolarHBondContact O-N 2.9Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.25Å; L159-A162 PolarHBondContact O-N 3.34Å; L159-S163 PolarHBondContact O-N 2.99Å; L159-S163 PolarHBondContact O-OG 2.97Å
160L98.7Very high98.2Very high0 Ų057.8 Ų57.80%031%0.307CS..Hα-helixtrans-60.8-39.8177.7-68.5175.4000112.3A115 I118 V136 V156 N157 A162 S163 L164 L172A115-L160 HydrophobicContact CB-CD2 4.22Å; A115-L160 HydrophobicContact CB-CG 4.41Å; I118-L160 HydrophobicContact CB-CD2 4.03Å; I118-L160 HydrophobicContact CD1-CD1 3.8Å; I118-L160 HydrophobicContact CG2-CD1 4.19Å; I118-L160 HydrophobicContact CG2-CD2 3.8Å; V136-L160 HydrophobicContact CG1-CD1 4.21Å; V156-L160 HydrophobicContact CG1-CD1 3.75Å; V156-L160 HydrophobicContact CG1-CG 4.17Å; V156-L160 WeakPolarHBondContact O-CG 3.36Å; V156-L160 PolarHBondContact O-N 3.05Å; N157-L160 PolarHBondContact O-N 3.49Å; L160-A162 PolarHBondContact O-N 2.92Å; L160-S163 PolarHBondContact O-N 2.66Å; L160-L164 HydrophobicContact CB-CD1 4.04Å; L160-L164 HydrophobicContact CB-CG 4.19Å; L160-L164 HydrophobicContact CD2-CD1 4.32Å; L160-L164 HydrophobicContact CD2-CD2 4.26Å; L160-L164 HydrophobicContact CD2-CG 4.17Å; L160-L164 VanDerWaalsContact O-CB 3.32Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 2.65Å; L160-L172 HydrophobicContact CB-CD1 4.21Å; L160-L172 HydrophobicContact CB-CD2 4.36Å; L160-L172 HydrophobicContact CD1-CD1 4.37Å
161K98.3Very high98.1Very high142 Ų14260.2 Ų60.262%0.61732%0.319SS*.Hα-helixtrans-59.1-32.9175.9-171171.4-174.7168.60112N157 L159 P165 L172N157-K161 VanDerWaalsContact O-CB 3.31Å; N157-K161 WeakPolarHBondContact O-CB 3.43Å; N157-K161 PolarHBondContact O-N 2.94Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.25Å; K161-P165 WeakPolarHBondContact O-CD 3.26Å; K161-L172 HydrophobicContact CB-CD2 3.73Å; K161-L172 HydrophobicContact CG-CD2 4.37Å
162A98.1Very high98.2Very high62 Ų6255.1 Ų55.151%0.51230%0.296SS..Hα-helixtrans-86-28.7178.100000113.6Q158 L159 L160 K166Q158-A162 PolarHBondContact O-N 3.45Å; L159-A162 PolarHBondContact O-N 3.34Å; L160-A162 PolarHBondContact O-N 2.92Å; A162-K166 VanDerWaalsContact O-CE 3.3Å; A162-K166 WeakPolarHBondContact O-CE 3.32Å
163S98.2Very high98.1Very high16 Ų1654.8 Ų54.811%0.11230%0.296CS..Hα-helixtrans-99.5-38.1-172.367.70000114.6E119 L159 L160 P165 K166E119-S163 WeakPolarHBondContact OE1-CB 3.46Å; E119-S163 PolarHBondContact OE1-OG 3.19Å; L159-S163 PolarHBondContact O-N 2.99Å; L159-S163 PolarHBondContact O-OG 2.97Å; L160-S163 PolarHBondContact O-N 2.66Å; S163-P165 VanDerWaalsContact C-CD 3.48Å; S163-K166 VanDerWaalsContact O-CB 3.29Å; S163-K166 WeakPolarHBondContact O-CB 3.45Å; S163-K166 PolarHBondContact O-N 2.95Å
164L98.3Very high97.7Very high1 Ų158.3 Ų58.31%0.00532%0.315CS..G310 helixtrans-59.4-37.8-177.8-66.9-177.6000114.1E119 V122 V136 L160 K166 L167 V170 L172E119-L164 HydrophobicContact CG-CD2 4.43Å; V122-L164 HydrophobicContact CG2-CD2 4.1Å; V136-L164 HydrophobicContact CB-CD1 3.69Å; V136-L164 HydrophobicContact CG1-CD1 4.1Å; V136-L164 HydrophobicContact CG2-CD1 3.72Å; V136-L164 HydrophobicContact CG2-CD2 4.46Å; L160-L164 HydrophobicContact CB-CD1 4.04Å; L160-L164 HydrophobicContact CB-CG 4.19Å; L160-L164 HydrophobicContact CD2-CD1 4.32Å; L160-L164 HydrophobicContact CD2-CD2 4.26Å; L160-L164 HydrophobicContact CD2-CG 4.17Å; L160-L164 VanDerWaalsContact O-CB 3.32Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 2.65Å; L164-K166 PolarHBondContact O-N 2.88Å; L164-L167 HydrophobicContact CD2-CD1 4.13Å; L164-L167 PolarHBondContact O-N 3.41Å; L164-V170 HydrophobicContact CB-CG1 4.15Å; L164-V170 HydrophobicContact CB-CG2 4.48Å; L164-V170 HydrophobicContact CD1-CG2 4.29Å; L164-V170 HydrophobicContact CD2-CG1 4.43Å; L164-V170 HydrophobicContact CD2-CG2 4.21Å; L164-V170 WeakPolarHBondContact O-CG1 3.34Å; L164-L172 HydrophobicContact CD1-CB 4.06Å; L164-L172 HydrophobicContact CD1-CD1 4.25Å
165P98.3Very high96.9Very high99 Ų9956.8 Ų56.864%0.64330%0.3SS*.G310 helixtrans-60.6-12.1175.6-25.435.8000114.9K161 S163K161-P165 WeakPolarHBondContact O-CD 3.26Å; S163-P165 VanDerWaalsContact C-CD 3.48Å
166K97.8Very high95.9Very high168 Ų16860.4 Ų60.473%0.7332%0.323SS*.G310 helixtrans-88.9-6.3176.5-53.5172.6-175.51690112.6A162 S163 L164A162-K166 VanDerWaalsContact O-CE 3.3Å; A162-K166 WeakPolarHBondContact O-CE 3.32Å; S163-K166 VanDerWaalsContact O-CB 3.29Å; S163-K166 WeakPolarHBondContact O-CB 3.45Å; S163-K166 PolarHBondContact O-N 2.95Å; L164-K166 PolarHBondContact O-N 2.88Å
167L97.5Very high95.1Very high19 Ų1962.1 Ų62.110%0.09933%0.333CS..SBendtrans-104.1149.3177.1-56.1-178.6000109.5E119 V122 R123 L164 V170E119-L167 HydrophobicContact CB-CD1 4.44Å; E119-L167 HydrophobicContact CG-CD1 4.36Å; V122-L167 HydrophobicContact CB-CD1 4.14Å; V122-L167 HydrophobicContact CG1-CB 4.39Å; V122-L167 HydrophobicContact CG1-CD1 3.77Å; R123-L167 HydrophobicContact CG-CD1 4.37Å; R123-L167 HydrophobicContact CG-CD2 4.29Å; R123-L167 VanDerWaalsContact CZ-CD2 3.48Å; L164-L167 HydrophobicContact CD2-CD1 4.13Å; L164-L167 PolarHBondContact O-N 3.41Å; L167-V170 HydrophobicContact CB-CG1 3.65Å
168P96.5Very high94.7Very high80 Ų8063.3 Ų63.352%0.51935%0.348SS..THydrogen-bonded Turntrans-68.9151.2179.528-32.6000111.1N126 V170N126-P168 HydrophobicContact CB-CG 4.37Å; N126-P168 PolarHBondContact ND2-O 3.34Å; P168-V170 PolarHBondContact O-N 3.5Å
169N96.1Very high94.6Very high88 Ų8857.9 Ų57.947%0.47132%0.322SS..THydrogen-bonded Turntrans50.231.8167.4-56.2-21000115.4P130 K133 V134P130-N169 PolarHBondContact O-ND2 3.23Å; K133-N169 CarbonylContact C-O 3.57Å; V134-N169 PolarHBondContact N-O 2.91Å
170V98.6Very high94.6Very high19 Ų1958.5 Ų58.512%0.11533%0.328CS..EExtended strand (participates in β ladder)trans-129.7145179.4650000112.1V122 V134 V136 L164 L167 P168V122-V170 HydrophobicContact CG1-CB 3.86Å; V122-V170 HydrophobicContact CG1-CG1 3.97Å; V122-V170 HydrophobicContact CG1-CG2 3.88Å; V122-V170 HydrophobicContact CG2-CG2 4.12Å; V134-V170 HydrophobicContact CB-CB 4.04Å; V134-V170 HydrophobicContact CB-CG2 3.91Å; V134-V170 HydrophobicContact CG1-CG2 3.99Å; V134-V170 CarbonylContact O-C 3.49Å; V134-V170 VanDerWaalsContact O-CA 3.26Å; V134-V170 WeakPolarHBondContact O-CA 3.37Å; V136-V170 HydrophobicContact CG2-CG2 3.87Å; L164-V170 HydrophobicContact CB-CG1 4.15Å; L164-V170 HydrophobicContact CB-CG2 4.48Å; L164-V170 HydrophobicContact CD1-CG2 4.29Å; L164-V170 HydrophobicContact CD2-CG1 4.43Å; L164-V170 HydrophobicContact CD2-CG2 4.21Å; L164-V170 WeakPolarHBondContact O-CG1 3.34Å; L167-V170 HydrophobicContact CB-CG1 3.65Å; P168-V170 PolarHBondContact O-N 3.5Å
171Q97.8Very high94.5Very high78 Ų7862.3 Ų62.336%0.36435%0.346SS..EExtended strand (participates in β ladder)trans-139.6146.4168.856-176.381.800112.1V134 V136 L212V134-Q171 PolarHBondContact O-N 3.45Å; V136-Q171 PolarHBondContact N-O 3.2Å; Q171-L212 HydrophobicContact CG-CD2 4.37Å
172L98.5Very high94.4Very high35 Ų3562.1 Ų62.118%0.18336%0.362CS..EExtended strand (participates in β ladder)trans-82.5126.7170.4-175.768000109.2V136 L160 K161 L164 D174V136-L172 HydrophobicContact CB-CD1 4.36Å; V136-L172 HydrophobicContact CG1-CD1 4.16Å; V136-L172 CarbonylContact O-C 3.51Å; V136-L172 WeakPolarHBondContact O-CA 3.45Å; L160-L172 HydrophobicContact CB-CD1 4.21Å; L160-L172 HydrophobicContact CB-CD2 4.36Å; L160-L172 HydrophobicContact CD1-CD1 4.37Å; K161-L172 HydrophobicContact CB-CD2 3.73Å; K161-L172 HydrophobicContact CG-CD2 4.37Å; L164-L172 HydrophobicContact CD1-CB 4.06Å; L164-L172 HydrophobicContact CD1-CD1 4.25Å; L172-D174 HydrophobicContact CD2-CB 4.05Å; L172-D174 HydrophobicContact CG-CB 4.15Å
173L97.8Very high94.3Very high28 Ų2864.3 Ų64.315%0.14737%0.365CS..EExtended strand (participates in β ladder)trans-10394.5163.5178.960000108.6I135 V136 L137 G138 V175 L209 L212I135-L173 HydrophobicContact CG2-CB 3.8Å; I135-L173 HydrophobicContact CG2-CD2 4.49Å; V136-L173 PolarHBondContact O-N 2.82Å; L137-L173 HydrophobicContact CD2-CB 4.04Å; L137-L173 HydrophobicContact CD2-CD2 3.74Å; L137-L173 HydrophobicContact CD2-CG 3.93Å; G138-L173 PolarHBondContact N-O 2.68Å; L173-V175 HydrophobicContact CD1-CG2 4.01Å; L173-V175 HydrophobicContact CD2-CG2 4.18Å; L173-V175 HydrophobicContact CG-CG2 3.69Å; L173-L209 HydrophobicContact CD2-CB 3.86Å; L173-L209 HydrophobicContact CD2-CD1 3.85Å; L173-L209 HydrophobicContact CD2-CG 4.47Å; L173-L212 HydrophobicContact CB-CD2 4.17Å; L173-L212 HydrophobicContact CD2-CD2 4.13Å
174D90.3Very high94.3Very high79 Ų7964.3 Ų64.342%0.42237%0.368SS..  trans-96.599.3176.5-169.713.5000108.7L172 D176L172-D174 HydrophobicContact CD2-CB 4.05Å; L172-D174 HydrophobicContact CG-CB 4.15Å; D174-D176 PolarHBondContact O-N 3.35Å
175V81.5Confident94.3Very high26 Ų2665.8 Ų65.816%0.15838%0.377CS..  trans-94.4101.2-174.7-153.80000109.8L173 V177 I205 P208L173-V175 HydrophobicContact CD1-CG2 4.01Å; L173-V175 HydrophobicContact CD2-CG2 4.18Å; L173-V175 HydrophobicContact CG-CG2 3.69Å; V175-V177 HydrophobicContact CB-CG1 4.01Å; V175-V177 HydrophobicContact CG1-CG1 3.19Å; V175-V177 PolarHBondContact O-N 3.38Å; V175-I205 HydrophobicContact CB-CD1 3.8Å; V175-I205 HydrophobicContact CG1-CD1 4.2Å; V175-I205 HydrophobicContact CG2-CD1 4.28Å; V175-P208 HydrophobicContact CG1-CB 4.46Å; V175-P208 HydrophobicContact CG1-CG 3.58Å; V175-P208 HydrophobicContact CG2-CG 4.23Å
176D77.6Confident94.3Very high151 Ų15161.2 Ų61.281%0.80735%0.347SS*.  trans-82.992167.9-1746.8000110D174 G178D174-D176 PolarHBondContact O-N 3.35Å; D176-G178 PolarHBondContact OD1-N 3.41Å
177V82.5Confident94.3Very high36 Ų3654.5 Ų54.522%0.21832%0.321CS..  trans-10013.3-178.4-58.30000113.6V175 F179 K204 I205V175-V177 HydrophobicContact CB-CG1 4.01Å; V175-V177 HydrophobicContact CG1-CG1 3.19Å; V175-V177 PolarHBondContact O-N 3.38Å; V177-F179 HydrophobicContact CG2-CD1 4.02Å; V177-F179 HydrophobicContact CG2-CD2 3.37Å; V177-F179 HydrophobicContact CG2-CE1 3.83Å; V177-F179 HydrophobicContact CG2-CE2 3.17Å; V177-F179 HydrophobicContact CG2-CG 3.79Å; V177-F179 HydrophobicContact CG2-CZ 3.4Å; V177-F179 VanDerWaalsContact CG2-CZ 3.4Å; V177-K204 HydrophobicContact CB-CB 3.84Å; V177-K204 HydrophobicContact CB-CD 4.25Å; V177-K204 HydrophobicContact CG1-CB 3.95Å; V177-K204 WeakPolarHBondContact CG1-O 3.38Å; V177-K204 HydrophobicContact CG2-CB 3.92Å; V177-K204 HydrophobicContact CG2-CD 4.13Å; V177-I205 HydrophobicContact CG1-CD1 3.9Å; V177-I205 HydrophobicContact CG2-CD1 3.89Å
178G90.3Very high94.3Very high37 Ų3760.1 Ų60.138%0.38134%0.342SS..  trans68.335.3178.300000114.3D176 V180D176-G178 PolarHBondContact OD1-N 3.41Å; G178-V180 PolarHBondContact O-N 2.81Å
179F96.3Very high94.4Very high5 Ų562 Ų622%0.02234%0.344CS..  trans-62.9-30.9173.4-74.5-50000113.1L140 P141 V177 I186 D190 M191 L197 K204 I205L140-F179 HydrophobicContact CD1-CD2 4.48Å; L140-F179 HydrophobicContact CD1-CE2 3.83Å; L140-F179 HydrophobicContact CD2-CD2 4.28Å; L140-F179 HydrophobicContact CD2-CE2 3.97Å; L140-F179 HydrophobicContact CG-CE2 4.48Å; P141-F179 HydrophobicContact CG-CB 4.03Å; V177-F179 HydrophobicContact CG2-CD1 4.02Å; V177-F179 HydrophobicContact CG2-CD2 3.37Å; V177-F179 HydrophobicContact CG2-CE1 3.83Å; V177-F179 HydrophobicContact CG2-CE2 3.17Å; V177-F179 HydrophobicContact CG2-CG 3.79Å; V177-F179 HydrophobicContact CG2-CZ 3.4Å; V177-F179 VanDerWaalsContact CG2-CZ 3.4Å; F179-I186 WeakPolarHBondContact O-CG1 3.2Å; F179-D190 HydrophobicContact CD1-CB 3.72Å; F179-D190 HydrophobicContact CE1-CB 3.88Å; F179-M191 HydrophobicContact CB-CE 4.27Å; F179-M191 HydrophobicContact CD1-CE 4.25Å; F179-M191 HydrophobicContact CD2-CE 3.7Å; F179-M191 HydrophobicContact CE2-CE 3.99Å; F179-M191 HydrophobicContact CG-CE 3.85Å; F179-M191 HydrophobicContact CZ-CE 4.42Å; F179-L197 HydrophobicContact CE1-CD2 3.82Å; F179-L197 HydrophobicContact CE2-CD2 3.95Å; F179-L197 HydrophobicContact CZ-CD2 3.37Å; F179-K204 HydrophobicContact CD1-CD 4.44Å; F179-K204 HydrophobicContact CE1-CD 3.85Å; F179-K204 HydrophobicContact CZ-CD 4.43Å; F179-I205 HydrophobicContact CE2-CD1 3.81Å; F179-I205 HydrophobicContact CE2-CG1 4.06Å; F179-I205 HydrophobicContact CZ-CD1 4.19Å; F179-I205 HydrophobicContact CZ-CG1 4.03Å
180V97.4Very high94.5Very high60 Ų6058.5 Ų58.536%0.36433%0.325SS..BIsolated β-bridgetrans-93.9115.1174.6-1780000108.3P141 G178 T185 I186P141-V180 HydrophobicContact CB-CG2 3.72Å; P141-V180 HydrophobicContact CG-CG2 3.79Å; G178-V180 PolarHBondContact O-N 2.81Å; V180-T185 WeakPolarHBondContact CA-O 3.46Å; V180-I186 HydrophobicContact CG2-CD1 4.24Å; V180-I186 HydrophobicContact CG2-CG1 3.97Å
181H96.6Very high94.5Very high80 Ų8057.6 Ų57.637%0.3732%0.319SS..  trans-74.2171.3178.1-63.2172.8000112D183 G184 T185H181-D183 WeakPolarHBondContact CB-OD1 3.46Å; H181-D183 PolarHBondContact O-N 2.82Å; H181-G184 WeakPolarHBondContact O-CA 3.43Å; H181-G184 PolarHBondContact O-N 3.38Å; H181-T185 PolarHBondContact N-O 3.39Å
182S96.6Very high94.5Very high137 Ų13758.8 Ų58.896%0.95832%0.324SS*.THydrogen-bonded Turntrans-62-24.8-179.852.90000114G184S182-G184 PolarHBondContact O-N 2.78Å
183D96.9Very high94.5Very high109 Ų10960.4 Ų60.458%0.58333%0.332SS*.THydrogen-bonded Turntrans-82.32172.968.4-1.3000113.3H181 T185H181-D183 WeakPolarHBondContact CB-OD1 3.46Å; H181-D183 PolarHBondContact O-N 2.82Å; D183-T185 VanDerWaalsContact C-N 3.31Å; D183-T185 VanDerWaalsContact CG-OG1 3.29Å; D183-T185 WeakPolarHBondContact OD1-CB 3.43Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.43Å; D183-T185 PolarHBondContact OD1-N 3.21Å; D183-T185 PolarHBondContact OD1-OG1 3.02Å; D183-T185 PolarHBondContact OD2-OG1 2.89Å
184G97.4Very high94.6Very high16 Ų1662 Ų6217%0.16534%0.338CS..SBendtrans80.24.8-178.900000114.5R150 H181 S182R150-G184 PolarHBondContact NH1-O 3.43Å; R150-G184 PolarHBondContact NH2-O 3.27Å; H181-G184 WeakPolarHBondContact O-CA 3.43Å; H181-G184 PolarHBondContact O-N 3.38Å; S182-G184 PolarHBondContact O-N 2.78Å
185T98.3Very high95Very high32 Ų3259.4 Ų59.420%0.19632%0.324CS..  trans-87.4156.1-179.967.20000112.9E144 V180 H181 D183E144-T185 CarbonylContact O-C 3.56Å; E144-T185 WeakPolarHBondContact O-CA 3.17Å; V180-T185 WeakPolarHBondContact CA-O 3.46Å; H181-T185 PolarHBondContact N-O 3.39Å; D183-T185 VanDerWaalsContact C-N 3.31Å; D183-T185 VanDerWaalsContact CG-OG1 3.29Å; D183-T185 WeakPolarHBondContact OD1-CB 3.43Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.43Å; D183-T185 PolarHBondContact OD1-N 3.21Å; D183-T185 PolarHBondContact OD1-OG1 3.02Å; D183-T185 PolarHBondContact OD2-OG1 2.89Å
186I98.6Very high95.8Very high3 Ų359.8 Ų59.82%0.01532%0.324CS..BIsolated β-bridgetrans-108.3130164.2-66.8172.2000107.6P141 G143 E144 F179 V180 M191P141-I186 HydrophobicContact CB-CD1 3.94Å; P141-I186 HydrophobicContact CG-CD1 4.14Å; G143-I186 WeakPolarHBondContact O-CD1 3.38Å; E144-I186 PolarHBondContact O-N 3.48Å; F179-I186 WeakPolarHBondContact O-CG1 3.2Å; V180-I186 HydrophobicContact CG2-CD1 4.24Å; V180-I186 HydrophobicContact CG2-CG1 3.97Å; I186-M191 HydrophobicContact CD1-SD 4.16Å; I186-M191 HydrophobicContact CG2-CB 4.07Å; I186-M191 HydrophobicContact CG2-CG 4.15Å; I186-M191 HydrophobicContact CG2-SD 3.79Å
187S98.2Very high96.8Very high27 Ų2752.6 Ų52.619%0.18929%0.286CS..  trans-73.3136.2177.8-177.50000111.8H189 D190 M191S187-H189 PolarHBondContact O-N 3.2Å; S187-H189 WeakPolarHBondContact OG-CB 3.32Å; S187-H189 PolarHBondContact OG-N 3.03Å; S187-D190 PolarHBondContact O-N 3.23Å; S187-M191 PolarHBondContact O-N 2.88Å
188Y97.8Very high97.5Very high136 Ų13652.1 Ų52.153%0.53328%0.283SS..THydrogen-bonded Turntrans-65-15.9171.375.9-87.1000112.9D190 M191 F192Y188-D190 VanDerWaalsContact C-N 3.26Å; Y188-M191 VanDerWaalsContact CA-O 3.31Å; Y188-M191 WeakPolarHBondContact CA-O 3.36Å; Y188-M191 CarbonylContact O-C 3.54Å; Y188-F192 VanDerWaalsContact O-CA 3.32Å; Y188-F192 WeakPolarHBondContact O-CA 3.34Å; Y188-F192 PolarHBondContact O-N 2.61Å
189H97.8Very high97.9Very high119 Ų11951.8 Ų51.855%0.55128%0.28SS*.THydrogen-bonded Turntrans-70.9-22.4171-67-65.2000112.9S187 T198S187-H189 PolarHBondContact O-N 3.2Å; S187-H189 WeakPolarHBondContact OG-CB 3.32Å; S187-H189 PolarHBondContact OG-N 3.03Å; H189-T198 WeakPolarHBondContact O-CB 3.29Å; H189-T198 VanDerWaalsContact O-CG2 3.24Å; H189-T198 WeakPolarHBondContact O-CG2 3.23Å; H189-T198 PolarHBondContact O-OG1 3.2Å
190D98Very high97.9Very high15 Ų1553.5 Ų53.58%0.0830%0.299CS..THydrogen-bonded Turntrans-96.4-41.4174.7-77.4-36.1000111.7F179 S187 Y188 L197 T198 K204F179-D190 HydrophobicContact CD1-CB 3.72Å; F179-D190 HydrophobicContact CE1-CB 3.88Å; S187-D190 PolarHBondContact O-N 3.23Å; Y188-D190 VanDerWaalsContact C-N 3.26Å; D190-L197 WeakPolarHBondContact O-CA 3.13Å; D190-T198 PolarHBondContact O-N 3.12Å; D190-T198 PolarHBondContact O-OG1 3.06Å; D190-K204 WeakPolarHBondContact OD1-CE 3.42Å; D190-K204 IonicContact OD1-NZ 2.74Å; D190-K204 PolarHBondContact OD1-NZ 2.87Å; D190-K204 IonicContact OD2-NZ 3.68Å; D190-K204 PolarHBondContact OD2-NZ 2.75Å
191M98.5Very high97.9Very high0 Ų050.7 Ų50.70%028%0.282CS..BIsolated β-bridgetrans-131.8102.2177.7-66.6175.7-175.100110.6L140 P141 F179 I186 S187 Y188 D193 F194 H196 L197L140-M191 HydrophobicContact CB-CE 4.1Å; L140-M191 HydrophobicContact CD1-CE 3.99Å; P141-M191 WeakPolarHBondContact O-CE 3.33Å; F179-M191 HydrophobicContact CB-CE 4.27Å; F179-M191 HydrophobicContact CD1-CE 4.25Å; F179-M191 HydrophobicContact CD2-CE 3.7Å; F179-M191 HydrophobicContact CE2-CE 3.99Å; F179-M191 HydrophobicContact CG-CE 3.85Å; F179-M191 HydrophobicContact CZ-CE 4.42Å; I186-M191 HydrophobicContact CD1-SD 4.16Å; I186-M191 HydrophobicContact CG2-CB 4.07Å; I186-M191 HydrophobicContact CG2-CG 4.15Å; I186-M191 HydrophobicContact CG2-SD 3.79Å; S187-M191 PolarHBondContact O-N 2.88Å; Y188-M191 VanDerWaalsContact CA-O 3.31Å; Y188-M191 WeakPolarHBondContact CA-O 3.36Å; Y188-M191 CarbonylContact O-C 3.54Å; M191-D193 PolarHBondContact O-N 2.95Å; M191-D193 VanDerWaalsContact O-N 3.08Å; M191-F194 PolarHBondContact O-N 2.63Å; M191-H196 CarbonylContact C-O 3.59Å; M191-H196 WeakPolarHBondContact CA-O 2.95Å; M191-L197 HydrophobicContact CE-CD2 3.81Å; M191-L197 HydrophobicContact CG-CD2 3.82Å
192F98.5Very high98Very high104 Ų10446.9 Ų46.946%0.45626%0.264SS..THydrogen-bonded Turntrans-63.4-23.3-166.459.9-97.5000114.7Y188 H196 L197 T198Y188-F192 VanDerWaalsContact O-CA 3.32Å; Y188-F192 WeakPolarHBondContact O-CA 3.34Å; Y188-F192 PolarHBondContact O-N 2.61Å; F192-H196 HydrophobicContact CD1-CB 4.38Å; F192-H196 WeakPolarHBondContact CD1-O 3.4Å; F192-H196 HydrophobicContact CE1-CB 3.5Å; F192-H196 VanDerWaalsContact CE1-CB 3.5Å; F192-H196 HydrophobicContact CE2-CB 4.16Å; F192-H196 HydrophobicContact CZ-CB 3.37Å; F192-H196 PolarHBondContact N-O 2.91Å; F192-H196 VanDerWaalsContact N-O 3.12Å; F192-L197 WeakPolarHBondContact CE1-O 3.41Å; F192-T198 HydrophobicContact CB-CG2 4.01Å; F192-T198 HydrophobicContact CD1-CG2 4.25Å
193D98.6Very high98Very high68 Ų6842.5 Ų42.536%0.36424%0.236SC..THydrogen-bonded Turntrans-122.519.517466-3000112.1M191 L195 H196M191-D193 PolarHBondContact O-N 2.95Å; M191-D193 VanDerWaalsContact O-N 3.08Å; D193-L195 PolarHBondContact O-N 3.49Å; D193-L195 PolarHBondContact OD1-N 2.93Å; D193-H196 IonicContact OD1-CG 2.84Å; D193-H196 PolarHBondContact OD1-N 2.63Å; D193-H196 IonicContact OD1-ND1 3.19Å; D193-H196 IonicContact OD2-CE1 2.82Å; D193-H196 IonicContact OD2-CG 2.75Å; D193-H196 IonicContact OD2-ND1 2.75Å; D193-H196 PolarHBondContact OD2-ND1 3.48Å
194F98.6Very high97.9Very high61 Ų6140.8 Ų40.827%0.26822%0.224SC..SBendtrans61.520.1-174.6-41.9-76.2000114.6R142 G143 E144 M191R142-F194 CarbonylContact C-O 3.53Å; R142-F194 WeakPolarHBondContact CA-O 3.35Å; G143-F194 PolarHBondContact N-O 3.38Å; E144-F194 HydrophobicContact CB-CD1 3.74Å; E144-F194 HydrophobicContact CB-CD2 4.2Å; E144-F194 HydrophobicContact CB-CE1 3.75Å; E144-F194 HydrophobicContact CB-CE2 4.21Å; E144-F194 HydrophobicContact CB-CG 3.96Å; E144-F194 HydrophobicContact CB-CZ 3.99Å; E144-F194 HydrophobicContact CG-CD1 4.14Å; E144-F194 HydrophobicContact CG-CE1 3.7Å; E144-F194 HydrophobicContact CG-CZ 3.99Å; M191-F194 PolarHBondContact O-N 2.63Å
195L98.5Very high97.9Very high25 Ų2540.1 Ų40.113%0.13122%0.216CC..SBendtrans-136-60.6172.1172.359.8000110.9T104 R142 D193T104-L195 HydrophobicContact CG2-CD1 4.34Å; R142-L195 HydrophobicContact CB-CD1 4.08Å; D193-L195 PolarHBondContact O-N 3.49Å; D193-L195 PolarHBondContact OD1-N 2.93Å
196H98.8Very high97.8Very high34 Ų3438.7 Ų38.716%0.15721%0.207CC..SBendtrans-82.7135.3-176.3-60.3109.7000110.4S48 L52 M191 F192 D193S48-H196 WeakPolarHBondContact CB-NE2 3.48Å; S48-H196 PolarHBondContact OG-CD2 3.49Å; S48-H196 PolarHBondContact OG-NE2 2.94Å; L52-H196 HydrophobicContact CD1-CB 4.01Å; L52-H196 VanDerWaalsContact CD1-CD2 3.46Å; L52-H196 WeakPolarHBondContact CD1-CD2 3.49Å; M191-H196 CarbonylContact C-O 3.59Å; M191-H196 WeakPolarHBondContact CA-O 2.95Å; F192-H196 HydrophobicContact CD1-CB 4.38Å; F192-H196 WeakPolarHBondContact CD1-O 3.4Å; F192-H196 HydrophobicContact CE1-CB 3.5Å; F192-H196 VanDerWaalsContact CE1-CB 3.5Å; F192-H196 HydrophobicContact CE2-CB 4.16Å; F192-H196 HydrophobicContact CZ-CB 3.37Å; F192-H196 PolarHBondContact N-O 2.91Å; F192-H196 VanDerWaalsContact N-O 3.12Å; D193-H196 IonicContact OD1-CG 2.84Å; D193-H196 PolarHBondContact OD1-N 2.63Å; D193-H196 IonicContact OD1-ND1 3.19Å; D193-H196 IonicContact OD2-CE1 2.82Å; D193-H196 IonicContact OD2-CG 2.75Å; D193-H196 IonicContact OD2-ND1 2.75Å; D193-H196 PolarHBondContact OD2-ND1 3.48Å
197L98.4Very high97.6Very high0 Ų044.8 Ų44.80%023%0.234CC..BIsolated β-bridgetrans-72.9145.4-176-64.1167.9000111.3M49 Y56 W101 L140 F179 D190 M191 F192 Y202 I205M49-L197 HydrophobicContact CE-CD1 3.85Å; M49-L197 HydrophobicContact CE-CG 3.8Å; Y56-L197 PolarHBondContact OH-O 3.46Å; W101-L197 HydrophobicContact CH2-CD1 4.05Å; L140-L197 HydrophobicContact CD1-CD1 3.89Å; L140-L197 HydrophobicContact CD1-CD2 4Å; L140-L197 HydrophobicContact CD1-CG 4.2Å; F179-L197 HydrophobicContact CE1-CD2 3.82Å; F179-L197 HydrophobicContact CE2-CD2 3.95Å; F179-L197 HydrophobicContact CZ-CD2 3.37Å; D190-L197 WeakPolarHBondContact O-CA 3.13Å; M191-L197 HydrophobicContact CE-CD2 3.81Å; M191-L197 HydrophobicContact CG-CD2 3.82Å; F192-L197 WeakPolarHBondContact CE1-O 3.41Å; L197-Y202 HydrophobicContact CB-CD1 4.33Å; L197-Y202 HydrophobicContact CB-CD2 3.61Å; L197-Y202 HydrophobicContact CB-CE1 4.38Å; L197-Y202 HydrophobicContact CB-CE2 3.64Å; L197-Y202 HydrophobicContact CB-CG 3.97Å; L197-Y202 HydrophobicContact CD1-CD1 3.67Å; L197-Y202 HydrophobicContact CD1-CD2 4.46Å; L197-Y202 HydrophobicContact CD1-CE1 3.73Å; L197-Y202 HydrophobicContact CD1-CE2 4.49Å; L197-Y202 HydrophobicContact CD1-CG 4.07Å; L197-I205 HydrophobicContact CD1-CG1 4.26Å
198T98.6Very high97.6Very high26 Ų2645.1 Ų45.116%0.1624%0.236CC..PPolyproline II helixtrans-75.2173.8160.968.40000110.1H189 D190 F192 G200 G201 Y202H189-T198 WeakPolarHBondContact O-CB 3.29Å; H189-T198 VanDerWaalsContact O-CG2 3.24Å; H189-T198 WeakPolarHBondContact O-CG2 3.23Å; H189-T198 PolarHBondContact O-OG1 3.2Å; D190-T198 PolarHBondContact O-N 3.12Å; D190-T198 PolarHBondContact O-OG1 3.06Å; F192-T198 HydrophobicContact CB-CG2 4.01Å; F192-T198 HydrophobicContact CD1-CG2 4.25Å; T198-G200 PolarHBondContact O-N 3.43Å; T198-G200 PolarHBondContact OG1-N 2.84Å; T198-G201 PolarHBondContact O-N 3.41Å; T198-G201 VanDerWaalsContact O-N 3.1Å; T198-G201 PolarHBondContact OG1-N 3.28Å; T198-Y202 WeakPolarHBondContact O-CD2 3.37Å; T198-Y202 PolarHBondContact O-N 3.45Å
199G97.9Very high97.6Very high30 Ų3038.8 Ų38.831%0.30921%0.211SC..Hα-helixtrans-57.4-37.2171.100000112.7Y56 Y202 A203Y56-G199 VanDerWaalsContact CD1-CA 3.48Å; G199-Y202 PolarHBondContact O-N 2.96Å; G199-A203 PolarHBondContact O-N 3.16Å
200G96.6Very high97.6Very high42 Ų4235.1 Ų35.143%0.43319%0.194SC..Hα-helixtrans-67.3-39.8174.100000112.8T198 A203 K204T198-G200 PolarHBondContact O-N 3.43Å; T198-G200 PolarHBondContact OG1-N 2.84Å; G200-A203 PolarHBondContact O-N 3.42Å; G200-K204 PolarHBondContact O-N 3.21Å
201G97.4Very high97.6Very high0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-62.5-44.4173.400000112.5T198 A203 K204T198-G201 PolarHBondContact O-N 3.41Å; T198-G201 VanDerWaalsContact O-N 3.1Å; T198-G201 PolarHBondContact OG1-N 3.28Å; G201-A203 PolarHBondContact O-N 3.23Å; G201-K204 PolarHBondContact O-N 2.88Å
202Y98.2Very high97.5Very high0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-61.8-41.7174.5-86.3-64.1000112.3M49 L52 L53 Y56 W101 L197 T198 G199 K204 I205 C206M49-Y202 WeakPolarHBondContact O-CE1 3.49Å; M49-Y202 PolarHBondContact O-OH 3.04Å; L52-Y202 HydrophobicContact CB-CE2 4.43Å; L52-Y202 WeakPolarHBondContact CB-OH 3.42Å; L53-Y202 HydrophobicContact CB-CD1 4.22Å; L53-Y202 HydrophobicContact CB-CE1 3.67Å; L53-Y202 HydrophobicContact CD1-CD1 3.6Å; L53-Y202 HydrophobicContact CD1-CE1 3.98Å; L53-Y202 HydrophobicContact CD1-CG 4.07Å; L53-Y202 HydrophobicContact CG-CD1 4.42Å; L53-Y202 HydrophobicContact CG-CE1 4.33Å; L53-Y202 PolarHBondContact N-OH 3.22Å; Y56-Y202 AromaticContact CD2-CD2 3.45Å; Y56-Y202 HydrophobicContact CD2-CD2 3.45Å; Y56-Y202 VanDerWaalsContact CD2-CD2 3.45Å; Y56-Y202 AromaticContact CD2-CE2 3.57Å; Y56-Y202 HydrophobicContact CD2-CE2 3.57Å; Y56-Y202 HydrophobicContact CD2-CG 4.48Å; Y56-Y202 AromaticContact CE2-CD2 3.51Å; Y56-Y202 HydrophobicContact CE2-CD2 3.51Å; Y56-Y202 AromaticContact CE2-CE2 3.38Å; Y56-Y202 HydrophobicContact CE2-CE2 3.38Å; Y56-Y202 HydrophobicContact CG-CD2 4.15Å; W101-Y202 HydrophobicContact CZ3-CE1 4.26Å; L197-Y202 HydrophobicContact CB-CD1 4.33Å; L197-Y202 HydrophobicContact CB-CD2 3.61Å; L197-Y202 HydrophobicContact CB-CE1 4.38Å; L197-Y202 HydrophobicContact CB-CE2 3.64Å; L197-Y202 HydrophobicContact CB-CG 3.97Å; L197-Y202 HydrophobicContact CD1-CD1 3.67Å; L197-Y202 HydrophobicContact CD1-CD2 4.46Å; L197-Y202 HydrophobicContact CD1-CE1 3.73Å; L197-Y202 HydrophobicContact CD1-CE2 4.49Å; L197-Y202 HydrophobicContact CD1-CG 4.07Å; T198-Y202 WeakPolarHBondContact O-CD2 3.37Å; T198-Y202 PolarHBondContact O-N 3.45Å; G199-Y202 PolarHBondContact O-N 2.96Å; Y202-K204 PolarHBondContact O-N 3.47Å; Y202-K204 VanDerWaalsContact O-N 3.16Å; Y202-I205 PolarHBondContact O-N 3.43Å; Y202-C206 WeakPolarHBondContact O-CB 3.23Å; Y202-C206 PolarHBondContact O-N 2.85Å; Y202-C206 PolarHBondContact O-SG 2.82Å
203A96Very high97.5Very high45 Ų4535.3 Ų35.337%0.37220%0.196SC..Hα-helixtrans-55-36.5178.600000113.4I58 G199 G200 G201 I205 K207I58-A203 HydrophobicContact CD1-CB 4.03Å; G199-A203 PolarHBondContact O-N 3.16Å; G200-A203 PolarHBondContact O-N 3.42Å; G201-A203 PolarHBondContact O-N 3.23Å; A203-I205 VanDerWaalsContact C-N 3.32Å; A203-I205 PolarHBondContact O-N 3Å; A203-K207 PolarHBondContact O-N 2.85Å
204K95.9Very high97.5Very high74 Ų7435.1 Ų35.132%0.32219%0.194SC..Hα-helixtrans-64.1-35.5176.3-65.1176.4177.2178.10112.8V177 F179 D190 G200 G201 Y202 P208V177-K204 HydrophobicContact CB-CB 3.84Å; V177-K204 HydrophobicContact CB-CD 4.25Å; V177-K204 HydrophobicContact CG1-CB 3.95Å; V177-K204 WeakPolarHBondContact CG1-O 3.38Å; V177-K204 HydrophobicContact CG2-CB 3.92Å; V177-K204 HydrophobicContact CG2-CD 4.13Å; F179-K204 HydrophobicContact CD1-CD 4.44Å; F179-K204 HydrophobicContact CE1-CD 3.85Å; F179-K204 HydrophobicContact CZ-CD 4.43Å; D190-K204 WeakPolarHBondContact OD1-CE 3.42Å; D190-K204 IonicContact OD1-NZ 2.74Å; D190-K204 PolarHBondContact OD1-NZ 2.87Å; D190-K204 IonicContact OD2-NZ 3.68Å; D190-K204 PolarHBondContact OD2-NZ 2.75Å; G200-K204 PolarHBondContact O-N 3.21Å; G201-K204 PolarHBondContact O-N 2.88Å; Y202-K204 PolarHBondContact O-N 3.47Å; Y202-K204 VanDerWaalsContact O-N 3.16Å; K204-P208 WeakPolarHBondContact O-CD 3.41Å
205I96.9Very high97.5Very high2 Ų237 Ų371%0.0120%0.203CC..Hα-helixtrans-88.9-41.5-177-58.6-59.8000112.1W101 L137 L140 V175 V177 F179 L197 Y202 A203 K207 P208 L209W101-I205 HydrophobicContact CH2-CG2 3.92Å; W101-I205 HydrophobicContact CZ2-CG2 4.45Å; W101-I205 HydrophobicContact CZ3-CG2 4.48Å; L137-I205 HydrophobicContact CD2-CG2 4.48Å; L140-I205 HydrophobicContact CD2-CD1 4.1Å; V175-I205 HydrophobicContact CB-CD1 3.8Å; V175-I205 HydrophobicContact CG1-CD1 4.2Å; V175-I205 HydrophobicContact CG2-CD1 4.28Å; V177-I205 HydrophobicContact CG1-CD1 3.9Å; V177-I205 HydrophobicContact CG2-CD1 3.89Å; F179-I205 HydrophobicContact CE2-CD1 3.81Å; F179-I205 HydrophobicContact CE2-CG1 4.06Å; F179-I205 HydrophobicContact CZ-CD1 4.19Å; F179-I205 HydrophobicContact CZ-CG1 4.03Å; L197-I205 HydrophobicContact CD1-CG1 4.26Å; Y202-I205 PolarHBondContact O-N 3.43Å; A203-I205 VanDerWaalsContact C-N 3.32Å; A203-I205 PolarHBondContact O-N 3Å; I205-K207 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 3.34Å; I205-P208 VanDerWaalsContact O-CD 3.3Å; I205-P208 WeakPolarHBondContact O-CD 3.46Å; I205-P208 WeakPolarHBondContact O-CG 3.37Å; I205-L209 WeakPolarHBondContact O-CB 3.5Å; I205-L209 PolarHBondContact O-N 2.97Å
206C97.1Very high97.4Very high1 Ų136 Ų361%0.00720%0.198CC..Hα-helixtrans-68.8-31-172.9-65.60000112.8L53 I58 L62 F63 Y202 L209 H210L53-C206 WeakPolarHBondContact CD1-SG 3.38Å; I58-C206 HydrophobicContact CD1-CB 3.55Å; I58-C206 HydrophobicContact CG1-CB 4.13Å; L62-C206 HydrophobicContact CD1-CB 4.04Å; F63-C206 HydrophobicContact CE2-CB 3.9Å; F63-C206 HydrophobicContact CZ-CB 3.86Å; Y202-C206 WeakPolarHBondContact O-CB 3.23Å; Y202-C206 PolarHBondContact O-N 2.85Å; Y202-C206 PolarHBondContact O-SG 2.82Å; C206-L209 PolarHBondContact O-N 3.24Å; C206-H210 WeakPolarHBondContact O-CB 3.32Å; C206-H210 PolarHBondContact O-N 3.25Å
207K94.1Very high97.2Very high132 Ų13236 Ų3657%0.57420%0.199SC*.Hα-helixtrans-60.6-59.5178.4-177.8178.6179.9-176.70112.8A203 I205 L209 H210 E211A203-K207 PolarHBondContact O-N 2.85Å; I205-K207 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 3.34Å; K207-L209 VanDerWaalsContact C-N 3.27Å; K207-L209 PolarHBondContact O-N 3.2Å; K207-H210 PolarHBondContact O-N 2.98Å; K207-E211 WeakPolarHBondContact CE-OE1 3.48Å; K207-E211 WeakPolarHBondContact O-CG 3.31Å; K207-E211 PolarHBondContact O-N 3.33Å
208P96.7Very high96.9Very high34 Ų3443.4 Ų43.422%0.22123%0.234CC..Hα-helixtrans-64.9-31.3177.723.7-33000112.7V175 K204 I205 L212V175-P208 HydrophobicContact CG1-CB 4.46Å; V175-P208 HydrophobicContact CG1-CG 3.58Å; V175-P208 HydrophobicContact CG2-CG 4.23Å; K204-P208 WeakPolarHBondContact O-CD 3.41Å; I205-P208 VanDerWaalsContact O-CD 3.3Å; I205-P208 WeakPolarHBondContact O-CD 3.46Å; I205-P208 WeakPolarHBondContact O-CG 3.37Å; P208-L212 WeakPolarHBondContact O-CB 3.48Å; P208-L212 PolarHBondContact O-N 3.19Å
209L98.3Very high96.2Very high2 Ų246.8 Ų46.81%0.0125%0.248CC..Hα-helixtrans-64.3-46.7174.517661.3000112.1F44 F63 V99 I135 L137 L173 I205 C206 K207 L212 I213F44-L209 HydrophobicContact CE1-CD2 3.84Å; F44-L209 HydrophobicContact CZ-CD2 4.46Å; F63-L209 HydrophobicContact CE1-CD2 4.44Å; F63-L209 HydrophobicContact CE1-CG 4.39Å; F63-L209 HydrophobicContact CZ-CD2 4.09Å; F63-L209 HydrophobicContact CZ-CG 4.37Å; V99-L209 HydrophobicContact CG1-CD1 4.17Å; V99-L209 HydrophobicContact CG2-CD1 4.29Å; I135-L209 HydrophobicContact CD1-CD1 4.12Å; I135-L209 HydrophobicContact CG2-CD1 4.17Å; L137-L209 HydrophobicContact CD1-CD1 4.47Å; L137-L209 HydrophobicContact CD1-CD2 3.87Å; L137-L209 HydrophobicContact CD2-CD1 4.22Å; L137-L209 HydrophobicContact CG-CD1 4.47Å; L173-L209 HydrophobicContact CD2-CB 3.86Å; L173-L209 HydrophobicContact CD2-CD1 3.85Å; L173-L209 HydrophobicContact CD2-CG 4.47Å; I205-L209 WeakPolarHBondContact O-CB 3.5Å; I205-L209 PolarHBondContact O-N 2.97Å; C206-L209 PolarHBondContact O-N 3.24Å; K207-L209 VanDerWaalsContact C-N 3.27Å; K207-L209 PolarHBondContact O-N 3.2Å; L209-L212 PolarHBondContact O-N 3.32Å; L209-I213 HydrophobicContact CD1-CD1 3.9Å; L209-I213 HydrophobicContact CD1-CG1 4.18Å; L209-I213 HydrophobicContact CG-CD1 3.84Å; L209-I213 VanDerWaalsContact O-CG1 3.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.44Å; L209-I213 PolarHBondContact O-N 3.46Å
210H98.4Very high94.7Very high43 Ų4346.6 Ų46.620%0.19924%0.241CC..Hα-helixtrans-62.7-45.8177.7175.1-92.4000111.4L62 F63 C206 K207 L212 I213 M214L62-H210 HydrophobicContact CB-CB 4.45Å; L62-H210 HydrophobicContact CD1-CB 4.17Å; L62-H210 PolarHBondContact O-CD2 3.05Å; L62-H210 PolarHBondContact O-NE2 2.98Å; F63-H210 HydrophobicContact CE1-CB 3.92Å; F63-H210 HydrophobicContact CZ-CB 4.32Å; C206-H210 WeakPolarHBondContact O-CB 3.32Å; C206-H210 PolarHBondContact O-N 3.25Å; K207-H210 PolarHBondContact O-N 2.98Å; H210-L212 VanDerWaalsContact C-N 3.28Å; H210-L212 PolarHBondContact O-N 3.44Å; H210-I213 PolarHBondContact O-N 3.48Å; H210-M214 WeakPolarHBondContact O-CG 3.35Å; H210-M214 PolarHBondContact O-N 3.43Å
211E97.3Very high92.7Very high109 Ų10950.3 Ų50.351%0.50926%0.257SS..Hα-helixtrans-55.3-44.5175.2-72.8170.7-17200111.5K207 Q215K207-E211 WeakPolarHBondContact CE-OE1 3.48Å; K207-E211 WeakPolarHBondContact O-CG 3.31Å; K207-E211 PolarHBondContact O-N 3.33Å; E211-Q215 PolarHBondContact O-N 2.94Å; E211-Q215 VanDerWaalsContact O-N 3.09Å
212L98Very high90.7Very high14 Ų1456.9 Ų56.97%0.07329%0.288CS..Hα-helixtrans-67.3-43.9177.3176.758.7000112.7I135 Q171 L173 P208 L209 H210 M214 Q215 L216I135-L212 HydrophobicContact CD1-CD2 3.76Å; I135-L212 HydrophobicContact CD1-CG 3.83Å; I135-L212 HydrophobicContact CG1-CD2 3.99Å; I135-L212 HydrophobicContact CG1-CG 4.41Å; I135-L212 HydrophobicContact CG2-CD2 3.94Å; Q171-L212 HydrophobicContact CG-CD2 4.37Å; L173-L212 HydrophobicContact CB-CD2 4.17Å; L173-L212 HydrophobicContact CD2-CD2 4.13Å; P208-L212 WeakPolarHBondContact O-CB 3.48Å; P208-L212 PolarHBondContact O-N 3.19Å; L209-L212 PolarHBondContact O-N 3.32Å; H210-L212 VanDerWaalsContact C-N 3.28Å; H210-L212 PolarHBondContact O-N 3.44Å; L212-M214 VanDerWaalsContact C-N 3.31Å; L212-M214 PolarHBondContact O-N 3.47Å; L212-Q215 PolarHBondContact O-N 3.13Å; L212-L216 HydrophobicContact CD1-CD1 4.05Å; L212-L216 HydrophobicContact CD1-CD2 4.36Å; L212-L216 HydrophobicContact CD1-CG 3.95Å; L212-L216 HydrophobicContact CG-CD1 4.08Å; L212-L216 HydrophobicContact CG-CG 4.39Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 3.37Å
213I98.4Very high88.5Confident0 Ų064.8 Ų64.80%033%0.325CS..Hα-helixtrans-59.1-46.1177.7-68.8164.9000110V42 F44 F63 L66 V97 V99 I135 L209 H210 Q215 L216 L217V42-I213 HydrophobicContact CG1-CD1 4.42Å; V42-I213 HydrophobicContact CG1-CG2 4.37Å; V42-I213 HydrophobicContact CG2-CG2 3.81Å; F44-I213 HydrophobicContact CE2-CD1 4.43Å; F44-I213 HydrophobicContact CZ-CD1 3.75Å; F63-I213 HydrophobicContact CD1-CD1 4.19Å; F63-I213 HydrophobicContact CE1-CD1 3.89Å; L66-I213 HydrophobicContact CD1-CG2 3.74Å; V97-I213 HydrophobicContact CG1-CG1 4.28Å; V99-I213 HydrophobicContact CG2-CD1 3.97Å; V99-I213 HydrophobicContact CG2-CG1 4.35Å; I135-I213 HydrophobicContact CD1-CG1 3.61Å; L209-I213 HydrophobicContact CD1-CD1 3.9Å; L209-I213 HydrophobicContact CD1-CG1 4.18Å; L209-I213 HydrophobicContact CG-CD1 3.84Å; L209-I213 VanDerWaalsContact O-CG1 3.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.44Å; L209-I213 PolarHBondContact O-N 3.46Å; H210-I213 PolarHBondContact O-N 3.48Å; I213-Q215 PolarHBondContact O-N 2.9Å; I213-L216 PolarHBondContact O-N 2.9Å; I213-L217 HydrophobicContact CG2-CD1 3.79Å; I213-L217 HydrophobicContact CG2-CG 4.13Å; I213-L217 WeakPolarHBondContact O-CB 3.43Å; I213-L217 VanDerWaalsContact O-CG 3.31Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 3.39Å
214M98.1Very high85.9Confident64 Ų6471.7 Ų71.732%0.31535%0.346SS..Hα-helixtrans-58.1-48178-72.9-62.2-65.200111.8L66 H210 L212 L216 L217 E218L66-M214 HydrophobicContact CD1-SD 4.47Å; L66-M214 HydrophobicContact CD2-SD 3.49Å; L66-M214 WeakPolarHBondContact CD2-SD 3.3Å; H210-M214 WeakPolarHBondContact O-CG 3.35Å; H210-M214 PolarHBondContact O-N 3.43Å; L212-M214 VanDerWaalsContact C-N 3.31Å; L212-M214 PolarHBondContact O-N 3.47Å; M214-L216 VanDerWaalsContact C-N 3.31Å; M214-L216 PolarHBondContact O-N 2.92Å; M214-L217 PolarHBondContact O-N 3.44Å; M214-E218 WeakPolarHBondContact O-CG 3.26Å; M214-E218 PolarHBondContact O-N 2.91Å
215Q97.4Very high83.3Confident100 Ų10079.2 Ų79.247%0.46737%0.373SS..Hα-helixtrans-56-47.1175.4-176.4-169.1-22.600111.4E211 L212 I213 L217 E218 E219E211-Q215 PolarHBondContact O-N 2.94Å; E211-Q215 VanDerWaalsContact O-N 3.09Å; L212-Q215 PolarHBondContact O-N 3.13Å; I213-Q215 PolarHBondContact O-N 2.9Å; Q215-L217 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 3.17Å; Q215-E219 PolarHBondContact NE2-OE1 3.11Å; Q215-E219 WeakPolarHBondContact O-CB 2.97Å; Q215-E219 VanDerWaalsContact O-CG 3.32Å; Q215-E219 WeakPolarHBondContact O-CG 3.3Å; Q215-E219 PolarHBondContact O-N 2.91Å
216L97Very high80.7Confident5 Ų582.9 Ų82.93%0.02640%0.404CS..Hα-helixtrans-67.6-36.2-177.8-67.4178000112.3V97 K133 I135 L212 I213 M214 E219 T220V97-L216 HydrophobicContact CG1-CD1 4.48Å; V97-L216 HydrophobicContact CG2-CB 3.88Å; K133-L216 HydrophobicContact CB-CD1 4.27Å; K133-L216 HydrophobicContact CD-CB 3.94Å; K133-L216 HydrophobicContact CD-CD2 3.7Å; K133-L216 HydrophobicContact CD-CG 4.24Å; K133-L216 PolarHBondContact NZ-O 3.01Å; K133-L216 VanDerWaalsContact NZ-O 3.17Å; I135-L216 HydrophobicContact CD1-CD1 3.78Å; I135-L216 HydrophobicContact CG1-CD1 3.68Å; L212-L216 HydrophobicContact CD1-CD1 4.05Å; L212-L216 HydrophobicContact CD1-CD2 4.36Å; L212-L216 HydrophobicContact CD1-CG 3.95Å; L212-L216 HydrophobicContact CG-CD1 4.08Å; L212-L216 HydrophobicContact CG-CG 4.39Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 3.37Å; I213-L216 PolarHBondContact O-N 2.9Å; M214-L216 VanDerWaalsContact C-N 3.31Å; M214-L216 PolarHBondContact O-N 2.92Å; L216-E219 PolarHBondContact O-N 2.94Å; L216-T220 PolarHBondContact O-N 3.05Å; L216-T220 PolarHBondContact O-OG1 3.36Å
217L95.3Very high78.1Confident34 Ų3487 Ų8718%0.17844%0.437CS..Hα-helixtrans-65.1-42.9174.9-72.4174.7000111.5D41 V42 L66 K96 V97 I213 M214 Q215 E219 T220D41-L217 HydrophobicContact CB-CD2 4.39Å; V42-L217 HydrophobicContact CG2-CD1 4.04Å; V42-L217 HydrophobicContact CG2-CD2 4.27Å; L66-L217 HydrophobicContact CD2-CD1 4.35Å; K96-L217 HydrophobicContact CB-CD2 3.68Å; K96-L217 HydrophobicContact CD-CD2 3.95Å; K96-L217 HydrophobicContact CG-CD2 4.44Å; V97-L217 HydrophobicContact CG2-CD2 3.93Å; V97-L217 HydrophobicContact CG2-CG 4.15Å; I213-L217 HydrophobicContact CG2-CD1 3.79Å; I213-L217 HydrophobicContact CG2-CG 4.13Å; I213-L217 WeakPolarHBondContact O-CB 3.43Å; I213-L217 VanDerWaalsContact O-CG 3.31Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 3.39Å; M214-L217 PolarHBondContact O-N 3.44Å; Q215-L217 PolarHBondContact O-N 3.34Å; L217-E219 VanDerWaalsContact C-N 3.32Å; L217-E219 PolarHBondContact O-N 3.39Å; L217-T220 PolarHBondContact O-N 2.82Å; L217-T220 VanDerWaalsContact O-N 3.16Å
218E92.1Very high75.9Confident154 Ų15488.4 Ų88.472%0.7245%0.451SS*.Hα-helixtrans-64.1-36.6176-72.1177.3-171.900112.7M214 Q215 T220M214-E218 WeakPolarHBondContact O-CG 3.26Å; M214-E218 PolarHBondContact O-N 2.91Å; Q215-E218 PolarHBondContact O-N 3.17Å; E218-T220 VanDerWaalsContact C-N 3.3Å
219E84.2Confident73.2Confident98 Ų9893.7 Ų93.746%0.45850%0.497SS..Hα-helixtrans-76.5-15.9176.2-73.6173.8-170.300113.4K133 Q215 L216 L217 P221K133-E219 IonicContact NZ-OE2 3.89Å; K133-E219 PolarHBondContact NZ-OE2 2.91Å; Q215-E219 PolarHBondContact NE2-OE1 3.11Å; Q215-E219 WeakPolarHBondContact O-CB 2.97Å; Q215-E219 VanDerWaalsContact O-CG 3.32Å; Q215-E219 WeakPolarHBondContact O-CG 3.3Å; Q215-E219 PolarHBondContact O-N 2.91Å; L216-E219 PolarHBondContact O-N 2.94Å; L217-E219 VanDerWaalsContact C-N 3.32Å; L217-E219 PolarHBondContact O-N 3.39Å; E219-P221 WeakPolarHBondContact O-CD 3.48Å
220T65.2Low72Confident26 Ų2698.3 Ų98.316%0.1652%0.521CS..SBendtrans-79.3109.4179.3-53.90000107.6K96 L216 L217 E218 E222K96-T220 HydrophobicContact CB-CG2 4.12Å; K96-T220 HydrophobicContact CD-CG2 4.3Å; K96-T220 HydrophobicContact CG-CG2 3.99Å; L216-T220 PolarHBondContact O-N 3.05Å; L216-T220 PolarHBondContact O-OG1 3.36Å; L217-T220 PolarHBondContact O-N 2.82Å; L217-T220 VanDerWaalsContact O-N 3.16Å; E218-T220 VanDerWaalsContact C-N 3.3Å; T220-E222 PolarHBondContact O-N 3.37Å; T220-E222 VanDerWaalsContact O-N 3.07Å
221P54.1Low70.6Confident119 Ų119101.2 Ų101.277%0.77354%0.538SS*.  trans-77.7106.1-172.5016.7000109.1E219E219-P221 WeakPolarHBondContact O-CD 3.48Å
222E55.9Low69.1Low138 Ų138100.7 Ų100.765%0.64554%0.539SS*.  trans-120.6136.7150.4-78.4-17614900109.1K96 T220K96-E222 WeakPolarHBondContact CE-OE2 3.31Å; K96-E222 IonicContact NZ-OE2 2.75Å; K96-E222 PolarHBondContact NZ-OE2 3.2Å; T220-E222 PolarHBondContact O-N 3.37Å; T220-E222 VanDerWaalsContact O-N 3.07Å
223E51.6Low67.4Low166 Ų166105.8 Ų105.878%0.77657%0.567SS**SBendtrans91.1-9169.9-52.8-172.6157.700121.9R225 A226E223-R225 PolarHBondContact O-N 2.87Å; E223-R225 VanDerWaalsContact O-N 3.13Å; E223-A226 PolarHBondContact O-N 3.38Å
224K42.3Very low65.4Low191 Ų191112.4 Ų112.483%0.8360%0.602SS**THydrogen-bonded Turntrans-67.5-12.9170.9-94-174.5-177.8174.50114.8
225R41.9Very low63.3Low231 Ų231115.7 Ų115.787%0.87262%0.621SS**THydrogen-bonded Turntrans-93.5-14.5176.7-89.1-176.3173.6178.4-1.2114.7E223E223-R225 PolarHBondContact O-N 2.87Å; E223-R225 VanDerWaalsContact O-N 3.13Å
226A40.8Very low60.8Low80 Ų80116.8 Ų116.866%0.66163%0.633SS**THydrogen-bonded Turntrans-89.3-16.2177.700000113.1E223E223-A226 PolarHBondContact O-N 3.38Å
227A42.6Very low58Low87 Ų87125.4 Ų125.472%0.71968%0.679SS**SBendtrans-89.91.6175.400000114
228L48.3Very low54.9Low162 Ų162133 Ų13385%0.84872%0.721SS**  trans-135.814.3-176-79.2167.5000113.5
229A40.3Very low51.6Low144 Ų144131.1 Ų131.1100%1.1972%0.721SS**  trans-123.40170.800000109

Retrieved 229 of 229 residues in 427.7 ms (Link to these results)

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