G4LXB4_SCHMA Loading...

Vacuolar protein-sorting-associated protein 25

AlphaFold DB , UniProt , Accession G4LXB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 180 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
1M33.5Very low55.3Low240 Ų240119.9 Ų119.9100%1.18268%0.677SS**  0104.60-69175.9-16000106.3L3M1-L3 PolarHBondContact O-N 3.43Å
2S29.3Very low58.7Low122 Ų122113 Ų11385%0.85364%0.64SS**  trans-75.4118.1-168.2-40.70000109.7T4S2-T4 PolarHBondContact O-N 2.92Å; S2-T4 VanDerWaalsContact O-N 3.15Å
3L33.6Very low61.5Low170 Ų170117.8 Ų117.889%0.8964%0.642SS**  trans-69.9103.6169.8-66.5167.1000107.4M1M1-L3 PolarHBondContact O-N 3.43Å
4T31.3Very low64.1Low121 Ų121112.8 Ų112.874%0.74261%0.612SS**  trans-62.8129.8159.2390000107S2 G6S2-T4 PolarHBondContact O-N 2.92Å; S2-T4 VanDerWaalsContact O-N 3.15Å; T4-G6 PolarHBondContact O-N 2.83Å
5P34.9Very low66.3Low131 Ų131106 Ų10685%0.85157%0.574SS**  trans-73.572.7166.429.2-27.1000107N7P5-N7 PolarHBondContact O-N 3.4Å
6G41.5Very low68.3Low43 Ų43104.9 Ų104.944%0.44357%0.568SS.*  trans-80.4104.5173.500000107.4T4 D8T4-G6 PolarHBondContact O-N 2.83Å; G6-D8 VanDerWaalsContact C-N 3.32Å; G6-D8 PolarHBondContact O-N 2.7Å
7N57.8Low69.9Low93 Ų93104.6 Ų104.650%0.49756%0.561SS.*  trans-15.879.4170.6-70.7-14.7000115.9P5 V9 S47P5-N7 PolarHBondContact O-N 3.4Å; N7-V9 PolarHBondContact O-N 3.4Å; N7-S47 WeakPolarHBondContact CB-O 3.37Å; N7-S47 PolarHBondContact ND2-O 3.08Å
8D76.1Confident71.4Confident150 Ų150101.6 Ų101.680%0.80255%0.547SS*.  trans-72.2120.6-177.5-86.6-33.8000108.7G6 I10G6-D8 VanDerWaalsContact C-N 3.32Å; G6-D8 PolarHBondContact O-N 2.7Å; D8-I10 PolarHBondContact O-N 3.08Å
9V85.9Confident72.7Confident21 Ų2198.7 Ų98.713%0.12753%0.534CS..  trans-62120.6172.5178.20000107.8N7 W11 Y44 S47N7-V9 PolarHBondContact O-N 3.4Å; V9-W11 HydrophobicContact CB-CD2 4.43Å; V9-W11 HydrophobicContact CB-CZ2 3.85Å; V9-W11 HydrophobicContact CG1-CD2 3.79Å; V9-W11 HydrophobicContact CG1-CE3 4.05Å; V9-W11 HydrophobicContact CG1-CG 4.4Å; V9-W11 HydrophobicContact CG1-CH2 3.96Å; V9-W11 HydrophobicContact CG1-CZ2 3.67Å; V9-W11 HydrophobicContact CG1-CZ3 4.14Å; V9-W11 HydrophobicContact CG2-CZ2 4.23Å; V9-W11 PolarHBondContact O-N 3.22Å; V9-W11 PolarHBondContact O-NE1 3.04Å; V9-Y44 HydrophobicContact CB-CD2 4.48Å; V9-Y44 HydrophobicContact CG1-CD2 3.96Å; V9-Y44 HydrophobicContact CG2-CD2 3.72Å; V9-Y44 HydrophobicContact CG2-CE2 4.04Å; V9-S47 VanDerWaalsContact CG2-OG 3.3Å; V9-S47 WeakPolarHBondContact CG2-OG 3.26Å
10I89.9Confident74Confident144 Ų14494.2 Ų94.274%0.73851%0.51SS*.  trans-77.8103.1171.8-58.3176.6000108.4D8D8-I10 PolarHBondContact O-N 3.08Å
11W94.7Very high75.1Confident84 Ų8489.9 Ų89.932%0.31849%0.486SS..  trans-79.3124.8178.7-59.5100.8000111.1V9 Y15 L40 Y44 P64V9-W11 HydrophobicContact CB-CD2 4.43Å; V9-W11 HydrophobicContact CB-CZ2 3.85Å; V9-W11 HydrophobicContact CG1-CD2 3.79Å; V9-W11 HydrophobicContact CG1-CE3 4.05Å; V9-W11 HydrophobicContact CG1-CG 4.4Å; V9-W11 HydrophobicContact CG1-CH2 3.96Å; V9-W11 HydrophobicContact CG1-CZ2 3.67Å; V9-W11 HydrophobicContact CG1-CZ3 4.14Å; V9-W11 HydrophobicContact CG2-CZ2 4.23Å; V9-W11 PolarHBondContact O-N 3.22Å; V9-W11 PolarHBondContact O-NE1 3.04Å; W11-Y15 HydrophobicContact CB-CD1 4.03Å; W11-Y15 HydrophobicContact CB-CG 4.42Å; W11-Y15 AromaticContact CD2-CD1 3.92Å; W11-Y15 HydrophobicContact CD2-CD1 3.92Å; W11-Y15 AromaticContact CD2-CE1 3.89Å; W11-Y15 HydrophobicContact CD2-CE1 3.89Å; W11-Y15 HydrophobicContact CD2-CG 4.33Å; W11-Y15 AromaticContact CE3-CD1 3.66Å; W11-Y15 HydrophobicContact CE3-CD1 3.66Å; W11-Y15 AromaticContact CE3-CD2 3.66Å; W11-Y15 HydrophobicContact CE3-CD2 3.66Å; W11-Y15 AromaticContact CE3-CE1 3.68Å; W11-Y15 HydrophobicContact CE3-CE1 3.68Å; W11-Y15 AromaticContact CE3-CE2 3.69Å; W11-Y15 HydrophobicContact CE3-CE2 3.69Å; W11-Y15 AromaticContact CE3-CG 3.65Å; W11-Y15 HydrophobicContact CE3-CG 3.65Å; W11-Y15 AromaticContact CE3-CZ 3.7Å; W11-Y15 HydrophobicContact CG-CD1 4.09Å; W11-Y15 HydrophobicContact CG-CE1 4.35Å; W11-Y15 HydrophobicContact CH2-CE2 4.39Å; W11-Y15 HydrophobicContact CZ3-CD1 4.44Å; W11-Y15 AromaticContact CZ3-CD2 3.9Å; W11-Y15 HydrophobicContact CZ3-CD2 3.9Å; W11-Y15 HydrophobicContact CZ3-CE1 4.11Å; W11-Y15 AromaticContact CZ3-CE2 3.53Å; W11-Y15 HydrophobicContact CZ3-CE2 3.53Å; W11-Y15 HydrophobicContact CZ3-CG 4.34Å; W11-Y15 AromaticContact CZ3-CZ 3.65Å; W11-L40 HydrophobicContact CE3-CD1 3.85Å; W11-L40 HydrophobicContact CE3-CD2 4.44Å; W11-L40 HydrophobicContact CZ3-CD1 3.98Å; W11-L40 HydrophobicContact CZ3-CD2 4.42Å; W11-Y44 AromaticContact CH2-CD2 3.69Å; W11-Y44 HydrophobicContact CH2-CD2 3.69Å; W11-Y44 AromaticContact CH2-CE2 3.76Å; W11-Y44 HydrophobicContact CH2-CE2 3.76Å; W11-Y44 HydrophobicContact CZ2-CD2 4.31Å; W11-Y44 HydrophobicContact CZ2-CE2 4.25Å; W11-Y44 HydrophobicContact CZ3-CD2 4.33Å; W11-P64 HydrophobicContact CH2-CB 4.01Å; W11-P64 HydrophobicContact CH2-CG 4.22Å; W11-P64 HydrophobicContact CZ2-CB 4.08Å; W11-P64 HydrophobicContact CZ2-CG 4.2Å
12P95.8Very high78.2Confident37 Ų3782.3 Ų82.324%0.2445%0.454CS..  trans-72.9157.7178.633.2-37.6000110.7Q14 Y15 L40P12-Q14 PolarHBondContact O-N 2.95Å; P12-Q14 VanDerWaalsContact O-N 3.09Å; P12-Y15 WeakPolarHBondContact O-CB 3.22Å; P12-Y15 PolarHBondContact O-N 3.26Å; P12-L40 HydrophobicContact CG-CB 4.49Å; P12-L40 HydrophobicContact CG-CD1 4.17Å; P12-L40 HydrophobicContact CG-CD2 4.31Å
13W95.7Very high81.4Confident175 Ų17578 Ų7866%0.66342%0.421SS*.G310 helixtrans-56.5-32.7-177.672-95.7000112.9Y15 N16 F17W13-Y15 PolarHBondContact O-N 2.8Å; W13-N16 PolarHBondContact O-N 3.19Å; W13-F17 HydrophobicContact CE3-CB 4.29Å; W13-F17 HydrophobicContact CZ3-CB 4.03Å; W13-F17 HydrophobicContact CZ3-CD1 4.13Å; W13-F17 HydrophobicContact CZ3-CG 4.06Å
14Q97.1Very high84.5Confident48 Ų4871.8 Ų71.822%0.22439%0.387CS..G310 helixtrans-57.6-32.3176.5-64.988.6-24.500112P12 N16 F17 F20P12-Q14 PolarHBondContact O-N 2.95Å; P12-Q14 VanDerWaalsContact O-N 3.09Å; Q14-N16 PolarHBondContact O-N 3.48Å; Q14-F17 WeakPolarHBondContact O-CB 3.48Å; Q14-F17 PolarHBondContact O-N 3.4Å; Q14-F20 HydrophobicContact CB-CB 4.44Å; Q14-F20 HydrophobicContact CB-CD1 3.94Å; Q14-F20 HydrophobicContact CB-CD2 3.89Å; Q14-F20 HydrophobicContact CB-CE1 4.08Å; Q14-F20 HydrophobicContact CB-CE2 4.06Å; Q14-F20 HydrophobicContact CB-CG 3.83Å; Q14-F20 HydrophobicContact CB-CZ 4.14Å; Q14-F20 WeakPolarHBondContact O-CB 3.43Å; Q14-F20 WeakPolarHBondContact O-CD1 3.39Å; Q14-F20 WeakPolarHBondContact O-CG 3.42Å
15Y97.6Very high87.6Confident11 Ų1171.2 Ų71.24%0.04339%0.385CS..G310 helixtrans-64.2-21.4178.1-173.1-100.9000112.8W11 P12 W13 F21 L40 P64 N67 N68W11-Y15 HydrophobicContact CB-CD1 4.03Å; W11-Y15 HydrophobicContact CB-CG 4.42Å; W11-Y15 AromaticContact CD2-CD1 3.92Å; W11-Y15 HydrophobicContact CD2-CD1 3.92Å; W11-Y15 AromaticContact CD2-CE1 3.89Å; W11-Y15 HydrophobicContact CD2-CE1 3.89Å; W11-Y15 HydrophobicContact CD2-CG 4.33Å; W11-Y15 AromaticContact CE3-CD1 3.66Å; W11-Y15 HydrophobicContact CE3-CD1 3.66Å; W11-Y15 AromaticContact CE3-CD2 3.66Å; W11-Y15 HydrophobicContact CE3-CD2 3.66Å; W11-Y15 AromaticContact CE3-CE1 3.68Å; W11-Y15 HydrophobicContact CE3-CE1 3.68Å; W11-Y15 AromaticContact CE3-CE2 3.69Å; W11-Y15 HydrophobicContact CE3-CE2 3.69Å; W11-Y15 AromaticContact CE3-CG 3.65Å; W11-Y15 HydrophobicContact CE3-CG 3.65Å; W11-Y15 AromaticContact CE3-CZ 3.7Å; W11-Y15 HydrophobicContact CG-CD1 4.09Å; W11-Y15 HydrophobicContact CG-CE1 4.35Å; W11-Y15 HydrophobicContact CH2-CE2 4.39Å; W11-Y15 HydrophobicContact CZ3-CD1 4.44Å; W11-Y15 AromaticContact CZ3-CD2 3.9Å; W11-Y15 HydrophobicContact CZ3-CD2 3.9Å; W11-Y15 HydrophobicContact CZ3-CE1 4.11Å; W11-Y15 AromaticContact CZ3-CE2 3.53Å; W11-Y15 HydrophobicContact CZ3-CE2 3.53Å; W11-Y15 HydrophobicContact CZ3-CG 4.34Å; W11-Y15 AromaticContact CZ3-CZ 3.65Å; P12-Y15 WeakPolarHBondContact O-CB 3.22Å; P12-Y15 PolarHBondContact O-N 3.26Å; W13-Y15 PolarHBondContact O-N 2.8Å; Y15-F21 HydrophobicContact CD2-CE1 4.42Å; Y15-F21 AromaticContact CD2-CZ 3.68Å; Y15-F21 HydrophobicContact CD2-CZ 3.68Å; Y15-F21 HydrophobicContact CE2-CE1 4.1Å; Y15-F21 AromaticContact CE2-CZ 3.67Å; Y15-F21 HydrophobicContact CE2-CZ 3.67Å; Y15-F21 HydrophobicContact CG-CZ 4.31Å; Y15-F21 WeakPolarHBondContact O-CE2 3.35Å; Y15-F21 WeakPolarHBondContact O-CZ 3.47Å; Y15-L40 HydrophobicContact CD2-CD2 3.75Å; Y15-L40 HydrophobicContact CG-CD2 4.49Å; Y15-P64 PolarHBondContact OH-O 3.46Å; Y15-N67 PolarHBondContact OH-O 3.35Å; Y15-N68 HydrophobicContact CD1-CB 4.43Å; Y15-N68 WeakPolarHBondContact CD1-ND2 3.45Å; Y15-N68 HydrophobicContact CE1-CB 3.72Å; Y15-N68 WeakPolarHBondContact CE1-ND2 3.35Å; Y15-N68 HydrophobicContact CE2-CB 4.14Å; Y15-N68 PolarHBondContact O-ND2 2.84Å; Y15-N68 WeakPolarHBondContact OH-CA 3.44Å; Y15-N68 WeakPolarHBondContact OH-CB 3.33Å
16N97.3Very high90.5Very high88 Ų8869.2 Ų69.247%0.47137%0.367SS..G310 helixtrans-99.35.4173.1-65.6-48.8000113W13 Q14 P18 N68W13-N16 PolarHBondContact O-N 3.19Å; Q14-N16 PolarHBondContact O-N 3.48Å; N16-P18 WeakPolarHBondContact O-CD 3.5Å; N16-N68 PolarHBondContact OD1-ND2 3.17Å
17F96.8Very high93.2Very high101 Ų10170.9 Ų70.944%0.44338%0.377SS..SBendtrans-99.4109.1178.6-175.9-129.4000109.8W13 Q14 P19 F20W13-F17 HydrophobicContact CE3-CB 4.29Å; W13-F17 HydrophobicContact CZ3-CB 4.03Å; W13-F17 HydrophobicContact CZ3-CD1 4.13Å; W13-F17 HydrophobicContact CZ3-CG 4.06Å; Q14-F17 WeakPolarHBondContact O-CB 3.48Å; Q14-F17 PolarHBondContact O-N 3.4Å; F17-P19 VanDerWaalsContact C-CD 3.42Å; F17-P19 VanDerWaalsContact C-N 3.34Å; F17-P19 HydrophobicContact CD1-CB 4.17Å; F17-P19 HydrophobicContact CD1-CG 4.21Å; F17-P19 HydrophobicContact CD2-CG 4.37Å; F17-P19 HydrophobicContact CE1-CB 3.73Å; F17-P19 HydrophobicContact CE1-CG 3.69Å; F17-P19 HydrophobicContact CE2-CG 3.86Å; F17-P19 HydrophobicContact CZ-CB 4.07Å; F17-P19 HydrophobicContact CZ-CG 3.51Å; F17-P19 VanDerWaalsContact O-N 3.12Å; F17-F20 WeakPolarHBondContact O-CB 3.32Å; F17-F20 PolarHBondContact O-N 3.11Å
18P96.8Very high95Very high49 Ų4971.3 Ų71.332%0.31838%0.376SS..G310 helixtrans-51.8-39.2-171.7-26.933.3000116N16 F20 F21 I71 R73N16-P18 WeakPolarHBondContact O-CD 3.5Å; P18-F20 PolarHBondContact O-N 3.26Å; P18-F20 VanDerWaalsContact O-N 3.15Å; P18-F21 PolarHBondContact O-N 3.49Å; P18-I71 HydrophobicContact CG-CD1 4.29Å; P18-R73 HydrophobicContact CB-CG 4.11Å
19P96.5Very high96Very high47 Ų4767.1 Ų67.131%0.30536%0.356SS..G310 helixtrans-61.1-20.8176.3-26.638000114.7F17 F21 T22 Q24F17-P19 VanDerWaalsContact C-CD 3.42Å; F17-P19 VanDerWaalsContact C-N 3.34Å; F17-P19 HydrophobicContact CD1-CB 4.17Å; F17-P19 HydrophobicContact CD1-CG 4.21Å; F17-P19 HydrophobicContact CD2-CG 4.37Å; F17-P19 HydrophobicContact CE1-CB 3.73Å; F17-P19 HydrophobicContact CE1-CG 3.69Å; F17-P19 HydrophobicContact CE2-CG 3.86Å; F17-P19 HydrophobicContact CZ-CB 4.07Å; F17-P19 HydrophobicContact CZ-CG 3.51Å; F17-P19 VanDerWaalsContact O-N 3.12Å; P19-F21 PolarHBondContact O-N 2.85Å; P19-T22 PolarHBondContact O-N 2.91Å; P19-Q24 PolarHBondContact O-NE2 2.83Å
20F97.7Very high96.6Very high9 Ų970.7 Ų70.74%0.03937%0.367CS..G310 helixtrans-62.1-28.3179.4-174.3-126.3000113.1Q14 F17 P18 T22 Q33 A36 W37 L40Q14-F20 HydrophobicContact CB-CB 4.44Å; Q14-F20 HydrophobicContact CB-CD1 3.94Å; Q14-F20 HydrophobicContact CB-CD2 3.89Å; Q14-F20 HydrophobicContact CB-CE1 4.08Å; Q14-F20 HydrophobicContact CB-CE2 4.06Å; Q14-F20 HydrophobicContact CB-CG 3.83Å; Q14-F20 HydrophobicContact CB-CZ 4.14Å; Q14-F20 WeakPolarHBondContact O-CB 3.43Å; Q14-F20 WeakPolarHBondContact O-CD1 3.39Å; Q14-F20 WeakPolarHBondContact O-CG 3.42Å; F17-F20 WeakPolarHBondContact O-CB 3.32Å; F17-F20 PolarHBondContact O-N 3.11Å; P18-F20 PolarHBondContact O-N 3.26Å; P18-F20 VanDerWaalsContact O-N 3.15Å; F20-T22 VanDerWaalsContact C-N 3.34Å; F20-Q33 HydrophobicContact CD2-CG 4.16Å; F20-Q33 HydrophobicContact CE2-CG 4.26Å; F20-Q33 PolarHBondContact O-NE2 2.83Å; F20-A36 HydrophobicContact CE2-CB 3.73Å; F20-A36 HydrophobicContact CZ-CB 4.02Å; F20-W37 HydrophobicContact CD1-CD2 4.42Å; F20-W37 AromaticContact CD1-CE2 3.69Å; F20-W37 AromaticContact CD1-CH2 3.98Å; F20-W37 HydrophobicContact CD1-CH2 3.98Å; F20-W37 AromaticContact CD1-CZ2 3.45Å; F20-W37 HydrophobicContact CD1-CZ2 3.45Å; F20-W37 VanDerWaalsContact CD1-CZ2 3.45Å; F20-W37 AromaticContact CD2-NE1 3.68Å; F20-W37 AromaticContact CE1-CD2 3.59Å; F20-W37 HydrophobicContact CE1-CD2 3.59Å; F20-W37 AromaticContact CE1-CE2 3.31Å; F20-W37 AromaticContact CE1-CE3 3.88Å; F20-W37 HydrophobicContact CE1-CE3 3.88Å; F20-W37 HydrophobicContact CE1-CG 4.23Å; F20-W37 AromaticContact CE1-CH2 3.68Å; F20-W37 HydrophobicContact CE1-CH2 3.68Å; F20-W37 AromaticContact CE1-CZ2 3.38Å; F20-W37 HydrophobicContact CE1-CZ2 3.38Å; F20-W37 AromaticContact CE1-CZ3 3.92Å; F20-W37 HydrophobicContact CE1-CZ3 3.92Å; F20-W37 AromaticContact CE1-NE1 3.81Å; F20-W37 AromaticContact CE2-CD1 3.45Å; F20-W37 VanDerWaalsContact CE2-CD1 3.45Å; F20-W37 HydrophobicContact CE2-CD2 4.06Å; F20-W37 AromaticContact CE2-CE2 3.8Å; F20-W37 AromaticContact CE2-CG 3.85Å; F20-W37 HydrophobicContact CE2-CG 3.85Å; F20-W37 AromaticContact CE2-NE1 3.39Å; F20-W37 HydrophobicContact CG-CZ2 4.11Å; F20-W37 AromaticContact CG-NE1 3.99Å; F20-W37 HydrophobicContact CZ-CB 4.31Å; F20-W37 AromaticContact CZ-CD1 3.58Å; F20-W37 AromaticContact CZ-CD2 3.37Å; F20-W37 HydrophobicContact CZ-CD2 3.37Å; F20-W37 AromaticContact CZ-CE2 3.37Å; F20-W37 AromaticContact CZ-CE3 3.96Å; F20-W37 HydrophobicContact CZ-CE3 3.96Å; F20-W37 AromaticContact CZ-CG 3.51Å; F20-W37 HydrophobicContact CZ-CG 3.51Å; F20-W37 HydrophobicContact CZ-CH2 4.47Å; F20-W37 AromaticContact CZ-CZ2 3.97Å; F20-W37 HydrophobicContact CZ-CZ2 3.97Å; F20-W37 HydrophobicContact CZ-CZ3 4.47Å; F20-W37 AromaticContact CZ-NE1 3.48Å; F20-W37 PolarHBondContact O-NE1 3.03Å; F20-L40 HydrophobicContact CE1-CD2 4.15Å
21F98.1Very high97Very high4 Ų470.9 Ų70.92%0.01836%0.359CS..G310 helixtrans-85.5-4.2177.2-64.7-96.7000113.4Y15 P18 P19 W37 N68 I71 R73Y15-F21 HydrophobicContact CD2-CE1 4.42Å; Y15-F21 AromaticContact CD2-CZ 3.68Å; Y15-F21 HydrophobicContact CD2-CZ 3.68Å; Y15-F21 HydrophobicContact CE2-CE1 4.1Å; Y15-F21 AromaticContact CE2-CZ 3.67Å; Y15-F21 HydrophobicContact CE2-CZ 3.67Å; Y15-F21 HydrophobicContact CG-CZ 4.31Å; Y15-F21 WeakPolarHBondContact O-CE2 3.35Å; Y15-F21 WeakPolarHBondContact O-CZ 3.47Å; P18-F21 PolarHBondContact O-N 3.49Å; P19-F21 PolarHBondContact O-N 2.85Å; F21-W37 AromaticContact CD1-CH2 3.95Å; F21-W37 HydrophobicContact CD1-CH2 3.95Å; F21-W37 AromaticContact CD1-CZ2 3.97Å; F21-W37 HydrophobicContact CD1-CZ2 3.97Å; F21-W37 AromaticContact CE1-CH2 3.65Å; F21-W37 HydrophobicContact CE1-CH2 3.65Å; F21-W37 HydrophobicContact CE1-CZ2 4.1Å; F21-W37 HydrophobicContact CG-CZ2 4.3Å; F21-W37 HydrophobicContact CZ-CH2 4.08Å; F21-W37 HydrophobicContact CZ-CZ2 4.48Å; F21-N68 HydrophobicContact CE1-CB 3.97Å; F21-N68 HydrophobicContact CE2-CB 4.11Å; F21-N68 HydrophobicContact CZ-CB 3.44Å; F21-N68 VanDerWaalsContact CZ-CB 3.44Å; F21-I71 HydrophobicContact CD2-CD1 4.08Å; F21-I71 HydrophobicContact CE2-CD1 3.73Å; F21-R73 HydrophobicContact CB-CB 3.86Å; F21-R73 HydrophobicContact CD1-CB 4.18Å; F21-R73 HydrophobicContact CD2-CB 3.68Å; F21-R73 HydrophobicContact CD2-CG 4.43Å; F21-R73 HydrophobicContact CE2-CB 4.33Å; F21-R73 HydrophobicContact CG-CB 3.62Å
22T96.9Very high97.1Very high81 Ų8172.4 Ų72.450%0.49737%0.368SS..SBendtrans-110.3125.5179.9-55.10000109.6P19 F20 Q24 Q33P19-T22 PolarHBondContact O-N 2.91Å; F20-T22 VanDerWaalsContact C-N 3.34Å; T22-Q24 PolarHBondContact O-N 2.68Å; T22-Q24 VanDerWaalsContact O-N 3.11Å; T22-Q24 PolarHBondContact O-NE2 3.24Å; T22-Q33 PolarHBondContact O-NE2 2.74Å
23L97.6Very high97.2Very high31 Ų3171.1 Ų71.116%0.16236%0.358CS..  trans-55.6118.5179.2-17961000110.8R30 E78 L79 L82L23-R30 HydrophobicContact CD1-CG 3.95Å; L23-E78 HydrophobicContact CD2-CG 4.18Å; L23-E78 WeakPolarHBondContact CD2-OE1 3.44Å; L23-L79 HydrophobicContact CD1-CD1 4.02Å; L23-L82 HydrophobicContact CD1-CD1 3.6Å; L23-L82 HydrophobicContact CD2-CD1 3.85Å; L23-L82 HydrophobicContact CG-CD1 4.41Å
24Q97.4Very high97.3Very high40 Ų4063.5 Ų63.519%0.18733%0.331CS..  trans-76.3132.1-171.9-65.7-64.4-54.200111.3P19 T22 T29 R30 Q33P19-Q24 PolarHBondContact O-NE2 2.83Å; T22-Q24 PolarHBondContact O-N 2.68Å; T22-Q24 VanDerWaalsContact O-N 3.11Å; T22-Q24 PolarHBondContact O-NE2 3.24Å; Q24-T29 HydrophobicContact CB-CG2 3.99Å; Q24-T29 HydrophobicContact CG-CG2 3.8Å; Q24-R30 HydrophobicContact CB-CB 4.28Å; Q24-R30 PolarHBondContact O-NE 2.93Å; Q24-R30 PolarHBondContact O-NH2 2.8Å; Q24-Q33 HydrophobicContact CG-CB 4.33Å; Q24-Q33 VanDerWaalsContact CG-OE1 3.25Å
25P96.5Very high97.4Very high108 Ų10864 Ų6470%0.70134%0.335SS*.SBendtrans-71.5-39.1-176.526.5-33.6000112.2R30P25-R30 PolarHBondContact O-NH2 2.89Å
26N97.2Very high97.4Very high89 Ų8964.4 Ų64.448%0.47634%0.34SS..SBendtrans-69.5131.9178177.7-74.5000111.2E28 T29 R30N26-E28 PolarHBondContact O-N 3.36Å; N26-E28 WeakPolarHBondContact OD1-CB 3.4Å; N26-E28 PolarHBondContact OD1-N 3.49Å; N26-T29 PolarHBondContact O-N 2.76Å; N26-T29 PolarHBondContact OD1-N 2.98Å; N26-T29 VanDerWaalsContact OD1-N 3.08Å; N26-T29 PolarHBondContact OD1-OG1 3.45Å; N26-R30 VanDerWaalsContact O-CB 3.26Å; N26-R30 WeakPolarHBondContact O-CB 3.48Å; N26-R30 PolarHBondContact O-N 2.99Å
27A96.9Very high97.4Very high78 Ų7860.2 Ų60.265%0.64532%0.318SS*.Hα-helixtrans-62.8-40.3-174.800000114.1R31A27-R31 WeakPolarHBondContact O-CB 3.38Å; A27-R31 PolarHBondContact O-N 3.05Å
28E97.2Very high97.5Very high102 Ų10255.5 Ų55.548%0.47730%0.298SS..Hα-helixtrans-69.7-44.9179.1-166.4-165.5153.200111N26 R30 R31 K32N26-E28 PolarHBondContact O-N 3.36Å; N26-E28 WeakPolarHBondContact OD1-CB 3.4Å; N26-E28 PolarHBondContact OD1-N 3.49Å; E28-R30 VanDerWaalsContact C-N 3.34Å; E28-R30 PolarHBondContact O-N 3.5Å; E28-R31 WeakPolarHBondContact O-CB 3.44Å; E28-R31 PolarHBondContact O-N 3.25Å; E28-K32 PolarHBondContact O-N 2.88Å; E28-K32 WeakPolarHBondContact OE1-CE 3.35Å; E28-K32 IonicContact OE1-NZ 3.85Å; E28-K32 PolarHBondContact OE1-NZ 3.49Å
29T97.2Very high97.5Very high63 Ų6358.2 Ų58.239%0.38731%0.306SS..Hα-helixtrans-62.6-42.4175.9-49.70000111Q24 N26 R31 K32 Q33Q24-T29 HydrophobicContact CB-CG2 3.99Å; Q24-T29 HydrophobicContact CG-CG2 3.8Å; N26-T29 PolarHBondContact O-N 2.76Å; N26-T29 PolarHBondContact OD1-N 2.98Å; N26-T29 VanDerWaalsContact OD1-N 3.08Å; N26-T29 PolarHBondContact OD1-OG1 3.45Å; T29-R31 PolarHBondContact O-N 3.3Å; T29-K32 PolarHBondContact O-N 2.94Å; T29-Q33 WeakPolarHBondContact O-CB 3.12Å; T29-Q33 PolarHBondContact O-N 3.39Å
30R97.7Very high97.6Very high95 Ų9556 Ų5636%0.35829%0.292SS..Hα-helixtrans-59.1-46.1174.4-169.3-175.6-55.2-178.36.7111.2L23 Q24 P25 N26 E28 K32 Q33 I34L23-R30 HydrophobicContact CD1-CG 3.95Å; Q24-R30 HydrophobicContact CB-CB 4.28Å; Q24-R30 PolarHBondContact O-NE 2.93Å; Q24-R30 PolarHBondContact O-NH2 2.8Å; P25-R30 PolarHBondContact O-NH2 2.89Å; N26-R30 VanDerWaalsContact O-CB 3.26Å; N26-R30 WeakPolarHBondContact O-CB 3.48Å; N26-R30 PolarHBondContact O-N 2.99Å; E28-R30 VanDerWaalsContact C-N 3.34Å; E28-R30 PolarHBondContact O-N 3.5Å; R30-K32 VanDerWaalsContact C-N 3.34Å; R30-K32 PolarHBondContact O-N 3.18Å; R30-Q33 WeakPolarHBondContact O-CB 3.14Å; R30-Q33 PolarHBondContact O-N 3.02Å; R30-I34 HydrophobicContact CG-CG1 4.29Å; R30-I34 VanDerWaalsContact O-CG1 3.32Å; R30-I34 WeakPolarHBondContact O-CG1 3.46Å; R30-I34 PolarHBondContact O-N 3.47Å
31R97.4Very high97.6Very high148 Ų14855.6 Ų55.656%0.55829%0.29SS*.Hα-helixtrans-58.2-45.4176.4-174.9175.863.397.40.4111.8A27 E28 T29 I34 N35A27-R31 WeakPolarHBondContact O-CB 3.38Å; A27-R31 PolarHBondContact O-N 3.05Å; E28-R31 WeakPolarHBondContact O-CB 3.44Å; E28-R31 PolarHBondContact O-N 3.25Å; T29-R31 PolarHBondContact O-N 3.3Å; R31-I34 PolarHBondContact O-N 3.15Å; R31-N35 WeakPolarHBondContact O-CB 3.26Å; R31-N35 PolarHBondContact O-N 3.21Å; R31-N35 PolarHBondContact O-ND2 2.95Å; R31-N35 PolarHBondContact O-OD1 3.42Å
32K97.6Very high97.5Very high117 Ų11756.2 Ų56.251%0.50929%0.293SS..Hα-helixtrans-63.4-41.9175.8-69.5176.2-173.9166.10112E28 T29 R30 N35 A36E28-K32 PolarHBondContact O-N 2.88Å; E28-K32 WeakPolarHBondContact OE1-CE 3.35Å; E28-K32 IonicContact OE1-NZ 3.85Å; E28-K32 PolarHBondContact OE1-NZ 3.49Å; T29-K32 PolarHBondContact O-N 2.94Å; R30-K32 VanDerWaalsContact C-N 3.34Å; R30-K32 PolarHBondContact O-N 3.18Å; K32-N35 PolarHBondContact O-N 3.3Å; K32-A36 PolarHBondContact O-N 3.47Å
33Q98.2Very high97.4Very high10 Ų1054.9 Ų54.95%0.04728%0.283CS..Hα-helixtrans-59.3-53.6175.4170.2-176.640.800111.3F20 T22 Q24 T29 R30 N35 A36 W37F20-Q33 HydrophobicContact CD2-CG 4.16Å; F20-Q33 HydrophobicContact CE2-CG 4.26Å; F20-Q33 PolarHBondContact O-NE2 2.83Å; T22-Q33 PolarHBondContact O-NE2 2.74Å; Q24-Q33 HydrophobicContact CG-CB 4.33Å; Q24-Q33 VanDerWaalsContact CG-OE1 3.25Å; T29-Q33 WeakPolarHBondContact O-CB 3.12Å; T29-Q33 PolarHBondContact O-N 3.39Å; R30-Q33 WeakPolarHBondContact O-CB 3.14Å; R30-Q33 PolarHBondContact O-N 3.02Å; Q33-N35 VanDerWaalsContact C-N 3.3Å; Q33-N35 PolarHBondContact O-N 3.07Å; Q33-A36 PolarHBondContact O-N 3.31Å; Q33-W37 VanDerWaalsContact O-CD1 3.31Å; Q33-W37 PolarHBondContact O-N 2.74Å
34I98.2Very high97.3Very high15 Ų1553.8 Ų53.88%0.07728%0.277CS..Hα-helixtrans-62.4-39.3-179.2-61.3-60.3000110.7R30 R31 A36 W37 C38 L79 L82 I83 E86R30-I34 HydrophobicContact CG-CG1 4.29Å; R30-I34 VanDerWaalsContact O-CG1 3.32Å; R30-I34 WeakPolarHBondContact O-CG1 3.46Å; R30-I34 PolarHBondContact O-N 3.47Å; R31-I34 PolarHBondContact O-N 3.15Å; I34-A36 PolarHBondContact O-N 2.95Å; I34-W37 PolarHBondContact O-N 2.89Å; I34-C38 PolarHBondContact O-N 3.47Å; I34-C38 PolarHBondContact O-SG 3.45Å; I34-L79 HydrophobicContact CD1-CD1 3.63Å; I34-L82 HydrophobicContact CD1-CB 4.09Å; I34-I83 HydrophobicContact CD1-CG1 3.88Å; I34-E86 HydrophobicContact CG2-CB 3.76Å; I34-E86 HydrophobicContact CG2-CG 3.68Å
35N97.9Very high97.2Very high58 Ų5852 Ų5231%0.3127%0.268SS..Hα-helixtrans-57.9-48.1173.7-73.4-8.2000112.3R31 K32 Q33 W37 C38 Q39 R90R31-N35 WeakPolarHBondContact O-CB 3.26Å; R31-N35 PolarHBondContact O-N 3.21Å; R31-N35 PolarHBondContact O-ND2 2.95Å; R31-N35 PolarHBondContact O-OD1 3.42Å; K32-N35 PolarHBondContact O-N 3.3Å; Q33-N35 VanDerWaalsContact C-N 3.3Å; Q33-N35 PolarHBondContact O-N 3.07Å; N35-W37 VanDerWaalsContact C-N 3.33Å; N35-C38 PolarHBondContact O-N 3.37Å; N35-Q39 PolarHBondContact O-N 3.35Å; N35-Q39 VanDerWaalsContact O-N 3.1Å; N35-R90 PolarHBondContact OD1-NH1 2.89Å; N35-R90 PolarHBondContact OD1-NH2 3.42Å
36A98Very high97Very high20 Ų2050.4 Ų50.417%0.16525%0.252CS..Hα-helixtrans-65.2-37.7179.300000111.9F20 K32 Q33 I34 Q39 L40F20-A36 HydrophobicContact CE2-CB 3.73Å; F20-A36 HydrophobicContact CZ-CB 4.02Å; K32-A36 PolarHBondContact O-N 3.47Å; Q33-A36 PolarHBondContact O-N 3.31Å; I34-A36 PolarHBondContact O-N 2.95Å; A36-Q39 PolarHBondContact O-N 3.02Å; A36-L40 WeakPolarHBondContact O-CB 3.29Å; A36-L40 PolarHBondContact O-N 3.34Å
37W98.3Very high96.8Very high0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-64.2-45.3173-84.8117.4000112.9F20 F21 Q33 I34 N35 Q39 L40 V41 L65 F66 I83F20-W37 HydrophobicContact CD1-CD2 4.42Å; F20-W37 AromaticContact CD1-CE2 3.69Å; F20-W37 AromaticContact CD1-CH2 3.98Å; F20-W37 HydrophobicContact CD1-CH2 3.98Å; F20-W37 AromaticContact CD1-CZ2 3.45Å; F20-W37 HydrophobicContact CD1-CZ2 3.45Å; F20-W37 VanDerWaalsContact CD1-CZ2 3.45Å; F20-W37 AromaticContact CD2-NE1 3.68Å; F20-W37 AromaticContact CE1-CD2 3.59Å; F20-W37 HydrophobicContact CE1-CD2 3.59Å; F20-W37 AromaticContact CE1-CE2 3.31Å; F20-W37 AromaticContact CE1-CE3 3.88Å; F20-W37 HydrophobicContact CE1-CE3 3.88Å; F20-W37 HydrophobicContact CE1-CG 4.23Å; F20-W37 AromaticContact CE1-CH2 3.68Å; F20-W37 HydrophobicContact CE1-CH2 3.68Å; F20-W37 AromaticContact CE1-CZ2 3.38Å; F20-W37 HydrophobicContact CE1-CZ2 3.38Å; F20-W37 AromaticContact CE1-CZ3 3.92Å; F20-W37 HydrophobicContact CE1-CZ3 3.92Å; F20-W37 AromaticContact CE1-NE1 3.81Å; F20-W37 AromaticContact CE2-CD1 3.45Å; F20-W37 VanDerWaalsContact CE2-CD1 3.45Å; F20-W37 HydrophobicContact CE2-CD2 4.06Å; F20-W37 AromaticContact CE2-CE2 3.8Å; F20-W37 AromaticContact CE2-CG 3.85Å; F20-W37 HydrophobicContact CE2-CG 3.85Å; F20-W37 AromaticContact CE2-NE1 3.39Å; F20-W37 HydrophobicContact CG-CZ2 4.11Å; F20-W37 AromaticContact CG-NE1 3.99Å; F20-W37 HydrophobicContact CZ-CB 4.31Å; F20-W37 AromaticContact CZ-CD1 3.58Å; F20-W37 AromaticContact CZ-CD2 3.37Å; F20-W37 HydrophobicContact CZ-CD2 3.37Å; F20-W37 AromaticContact CZ-CE2 3.37Å; F20-W37 AromaticContact CZ-CE3 3.96Å; F20-W37 HydrophobicContact CZ-CE3 3.96Å; F20-W37 AromaticContact CZ-CG 3.51Å; F20-W37 HydrophobicContact CZ-CG 3.51Å; F20-W37 HydrophobicContact CZ-CH2 4.47Å; F20-W37 AromaticContact CZ-CZ2 3.97Å; F20-W37 HydrophobicContact CZ-CZ2 3.97Å; F20-W37 HydrophobicContact CZ-CZ3 4.47Å; F20-W37 AromaticContact CZ-NE1 3.48Å; F20-W37 PolarHBondContact O-NE1 3.03Å; F21-W37 AromaticContact CD1-CH2 3.95Å; F21-W37 HydrophobicContact CD1-CH2 3.95Å; F21-W37 AromaticContact CD1-CZ2 3.97Å; F21-W37 HydrophobicContact CD1-CZ2 3.97Å; F21-W37 AromaticContact CE1-CH2 3.65Å; F21-W37 HydrophobicContact CE1-CH2 3.65Å; F21-W37 HydrophobicContact CE1-CZ2 4.1Å; F21-W37 HydrophobicContact CG-CZ2 4.3Å; F21-W37 HydrophobicContact CZ-CH2 4.08Å; F21-W37 HydrophobicContact CZ-CZ2 4.48Å; Q33-W37 VanDerWaalsContact O-CD1 3.31Å; Q33-W37 PolarHBondContact O-N 2.74Å; I34-W37 PolarHBondContact O-N 2.89Å; N35-W37 VanDerWaalsContact C-N 3.33Å; W37-Q39 VanDerWaalsContact C-N 3.3Å; W37-Q39 PolarHBondContact O-N 3.48Å; W37-L40 HydrophobicContact CE3-CD2 3.87Å; W37-L40 HydrophobicContact CH2-CD2 4.47Å; W37-L40 HydrophobicContact CZ3-CD2 3.62Å; W37-L40 PolarHBondContact O-N 3.44Å; W37-L40 VanDerWaalsContact O-N 3.17Å; W37-V41 VanDerWaalsContact O-CG2 3.31Å; W37-V41 WeakPolarHBondContact O-CG2 3.49Å; W37-V41 PolarHBondContact O-N 2.95Å; W37-L65 WeakPolarHBondContact CZ3-O 3.27Å; W37-F66 HydrophobicContact CD2-CE1 4.37Å; W37-F66 AromaticContact CE3-CD1 3.88Å; W37-F66 HydrophobicContact CE3-CD1 3.88Å; W37-F66 AromaticContact CE3-CE1 3.67Å; W37-F66 HydrophobicContact CE3-CE1 3.67Å; W37-F66 HydrophobicContact CH2-CD1 4.07Å; W37-F66 AromaticContact CZ3-CD1 3.58Å; W37-F66 HydrophobicContact CZ3-CD1 3.58Å; W37-F66 AromaticContact CZ3-CE1 3.86Å; W37-F66 HydrophobicContact CZ3-CE1 3.86Å; W37-I83 HydrophobicContact CB-CD1 3.48Å; W37-I83 VanDerWaalsContact CB-CD1 3.48Å; W37-I83 HydrophobicContact CB-CG1 3.63Å; W37-I83 HydrophobicContact CB-CG2 4.07Å; W37-I83 HydrophobicContact CD2-CD1 3.72Å; W37-I83 HydrophobicContact CE3-CD1 4.3Å; W37-I83 HydrophobicContact CG-CD1 3.33Å; W37-I83 HydrophobicContact CG-CG1 3.99Å
38C98Very high96.5Very high2 Ų248.1 Ų48.11%0.01423%0.226CC..Hα-helixtrans-56.9-46.7176.9-67.20000110.8I34 N35 L40 V41 L42 L87I34-C38 PolarHBondContact O-N 3.47Å; I34-C38 PolarHBondContact O-SG 3.45Å; N35-C38 PolarHBondContact O-N 3.37Å; C38-L40 PolarHBondContact O-N 3.15Å; C38-V41 PolarHBondContact O-N 3.07Å; C38-L42 WeakPolarHBondContact O-CG 3.19Å; C38-L42 PolarHBondContact O-N 3.05Å; C38-L87 HydrophobicContact CB-CD2 3.82Å; C38-L87 HydrophobicContact CB-CG 4.29Å
39Q97.1Very high96.2Very high105 Ų10547 Ų4749%0.49122%0.22SC..Hα-helixtrans-62.5-42.2177.4-170.863.553.600112.1N35 A36 W37 L42 N43N35-Q39 PolarHBondContact O-N 3.35Å; N35-Q39 VanDerWaalsContact O-N 3.1Å; A36-Q39 PolarHBondContact O-N 3.02Å; W37-Q39 VanDerWaalsContact C-N 3.3Å; W37-Q39 PolarHBondContact O-N 3.48Å; Q39-L42 PolarHBondContact O-N 3.24Å; Q39-N43 PolarHBondContact NE2-OD1 3.35Å; Q39-N43 WeakPolarHBondContact O-CB 3.49Å; Q39-N43 PolarHBondContact O-N 3.35Å; Q39-N43 PolarHBondContact O-OD1 3.48Å
40L97.7Very high95.9Very high2 Ų247.8 Ų47.81%0.0122%0.219CC..Hα-helixtrans-61.7-45.3177.1175.553.9000111.7W11 P12 Y15 F20 A36 W37 C38 L42 N43 Y44 L65W11-L40 HydrophobicContact CE3-CD1 3.85Å; W11-L40 HydrophobicContact CE3-CD2 4.44Å; W11-L40 HydrophobicContact CZ3-CD1 3.98Å; W11-L40 HydrophobicContact CZ3-CD2 4.42Å; P12-L40 HydrophobicContact CG-CB 4.49Å; P12-L40 HydrophobicContact CG-CD1 4.17Å; P12-L40 HydrophobicContact CG-CD2 4.31Å; Y15-L40 HydrophobicContact CD2-CD2 3.75Å; Y15-L40 HydrophobicContact CG-CD2 4.49Å; F20-L40 HydrophobicContact CE1-CD2 4.15Å; A36-L40 WeakPolarHBondContact O-CB 3.29Å; A36-L40 PolarHBondContact O-N 3.34Å; W37-L40 HydrophobicContact CE3-CD2 3.87Å; W37-L40 HydrophobicContact CH2-CD2 4.47Å; W37-L40 HydrophobicContact CZ3-CD2 3.62Å; W37-L40 PolarHBondContact O-N 3.44Å; W37-L40 VanDerWaalsContact O-N 3.17Å; C38-L40 PolarHBondContact O-N 3.15Å; L40-L42 VanDerWaalsContact C-N 3.35Å; L40-L42 PolarHBondContact O-N 3.15Å; L40-N43 PolarHBondContact O-N 2.89Å; L40-Y44 VanDerWaalsContact O-CB 3.25Å; L40-Y44 WeakPolarHBondContact O-CB 3.36Å; L40-Y44 PolarHBondContact O-N 3.24Å; L40-L65 HydrophobicContact CG-CD1 4.23Å
41V97.7Very high95.7Very high0 Ų043.9 Ų43.90%021%0.205CC..Hα-helixtrans-58.4-48.2177173.70000110.5W37 C38 N43 Y44 F45 L65 F66 I83 L87W37-V41 VanDerWaalsContact O-CG2 3.31Å; W37-V41 WeakPolarHBondContact O-CG2 3.49Å; W37-V41 PolarHBondContact O-N 2.95Å; C38-V41 PolarHBondContact O-N 3.07Å; V41-N43 PolarHBondContact O-N 3.04Å; V41-Y44 PolarHBondContact O-N 3.47Å; V41-F45 HydrophobicContact CG1-CD2 3.78Å; V41-F45 HydrophobicContact CG1-CE2 3.92Å; V41-F45 VanDerWaalsContact O-CD2 3.3Å; V41-F45 WeakPolarHBondContact O-CD2 3.43Å; V41-F45 PolarHBondContact O-N 3.3Å; V41-L65 HydrophobicContact CG2-CD1 4.19Å; V41-L65 HydrophobicContact CG2-CD2 4.25Å; V41-F66 HydrophobicContact CG2-CE1 4.13Å; V41-F66 HydrophobicContact CG2-CZ 3.68Å; V41-I83 HydrophobicContact CG2-CG2 3.98Å; V41-L87 HydrophobicContact CB-CD1 3.98Å; V41-L87 HydrophobicContact CG1-CD1 3.63Å; V41-L87 HydrophobicContact CG2-CD1 4.31Å
42L96.3Very high95.5Very high16 Ų1640.4 Ų40.48%0.08420%0.2CC..Hα-helixtrans-61.3-47.2178.8-64.8171.5000112C38 Q39 L40 Y44 F45 Q46 L87 N92 I105 W107C38-L42 WeakPolarHBondContact O-CG 3.19Å; C38-L42 PolarHBondContact O-N 3.05Å; Q39-L42 PolarHBondContact O-N 3.24Å; L40-L42 VanDerWaalsContact C-N 3.35Å; L40-L42 PolarHBondContact O-N 3.15Å; L42-Y44 VanDerWaalsContact C-N 3.3Å; L42-Y44 PolarHBondContact O-N 2.91Å; L42-F45 PolarHBondContact O-N 3.1Å; L42-Q46 WeakPolarHBondContact O-CB 3.27Å; L42-Q46 PolarHBondContact O-N 3.37Å; L42-L87 HydrophobicContact CD1-CD2 4.31Å; L42-L87 HydrophobicContact CD2-CD2 4.16Å; L42-L87 HydrophobicContact CG-CD2 4.08Å; L42-N92 HydrophobicContact CD1-CB 4.37Å; L42-N92 HydrophobicContact CD2-CB 3.94Å; L42-I105 HydrophobicContact CD2-CG2 3.79Å; L42-W107 HydrophobicContact CB-CB 4.24Å; L42-W107 HydrophobicContact CD2-CB 4.13Å
43N95Very high95.5Very high54 Ų5435 Ų3529%0.28918%0.177SC..Hα-helixtrans-62.1-38.4178.1-69.8-1.2000112.1Q39 L40 V41 S47Q39-N43 PolarHBondContact NE2-OD1 3.35Å; Q39-N43 WeakPolarHBondContact O-CB 3.49Å; Q39-N43 PolarHBondContact O-N 3.35Å; Q39-N43 PolarHBondContact O-OD1 3.48Å; L40-N43 PolarHBondContact O-N 2.89Å; V41-N43 PolarHBondContact O-N 3.04Å; N43-S47 WeakPolarHBondContact O-CB 3.25Å; N43-S47 PolarHBondContact O-N 3.38Å
44Y96.3Very high95.4Very high7 Ų736 Ų363%0.02719%0.185CC..Hα-helixtrans-64.3-48.3179.2178.2-89.2000112.1V9 W11 L40 V41 L42 S47 K48 P64 L65V9-Y44 HydrophobicContact CB-CD2 4.48Å; V9-Y44 HydrophobicContact CG1-CD2 3.96Å; V9-Y44 HydrophobicContact CG2-CD2 3.72Å; V9-Y44 HydrophobicContact CG2-CE2 4.04Å; W11-Y44 AromaticContact CH2-CD2 3.69Å; W11-Y44 HydrophobicContact CH2-CD2 3.69Å; W11-Y44 AromaticContact CH2-CE2 3.76Å; W11-Y44 HydrophobicContact CH2-CE2 3.76Å; W11-Y44 HydrophobicContact CZ2-CD2 4.31Å; W11-Y44 HydrophobicContact CZ2-CE2 4.25Å; W11-Y44 HydrophobicContact CZ3-CD2 4.33Å; L40-Y44 VanDerWaalsContact O-CB 3.25Å; L40-Y44 WeakPolarHBondContact O-CB 3.36Å; L40-Y44 PolarHBondContact O-N 3.24Å; V41-Y44 PolarHBondContact O-N 3.47Å; L42-Y44 VanDerWaalsContact C-N 3.3Å; L42-Y44 PolarHBondContact O-N 2.91Å; Y44-S47 PolarHBondContact O-OG 2.87Å; Y44-K48 HydrophobicContact CD1-CD 4.42Å; Y44-K48 HydrophobicContact CE1-CD 3.84Å; Y44-K48 VanDerWaalsContact CZ-CE 3.48Å; Y44-K48 WeakPolarHBondContact O-CG 3.37Å; Y44-K48 PolarHBondContact O-N 2.88Å; Y44-K48 WeakPolarHBondContact OH-CE 3.5Å; Y44-K48 PolarHBondContact OH-NZ 3.17Å; Y44-P64 HydrophobicContact CE2-CG 4.08Å; Y44-L65 HydrophobicContact CD1-CB 4.34Å; Y44-L65 HydrophobicContact CD1-CD1 4.19Å; Y44-L65 HydrophobicContact CD1-CD2 3.99Å; Y44-L65 HydrophobicContact CD1-CG 4.41Å; Y44-L65 HydrophobicContact CD2-CB 4.29Å; Y44-L65 HydrophobicContact CD2-CD1 4.05Å; Y44-L65 HydrophobicContact CE1-CB 4.16Å; Y44-L65 HydrophobicContact CE1-CD2 4.28Å; Y44-L65 HydrophobicContact CE2-CB 4.11Å; Y44-L65 HydrophobicContact CG-CB 4.39Å; Y44-L65 HydrophobicContact CG-CD1 3.76Å; Y44-L65 HydrophobicContact CG-CD2 4.41Å; Y44-L65 HydrophobicContact CG-CG 4.41Å
45F95Very high95.4Very high2 Ų236.1 Ų36.11%0.00919%0.186CC..Hα-helixtrans-71-36.4178.5-81.3-73.8000111.9V41 L42 K48 K49 Q50 L53 I58 L65 I105 W107V41-F45 HydrophobicContact CG1-CD2 3.78Å; V41-F45 HydrophobicContact CG1-CE2 3.92Å; V41-F45 VanDerWaalsContact O-CD2 3.3Å; V41-F45 WeakPolarHBondContact O-CD2 3.43Å; V41-F45 PolarHBondContact O-N 3.3Å; L42-F45 PolarHBondContact O-N 3.1Å; F45-K48 CarbonylContact O-C 3.51Å; F45-K48 PolarHBondContact O-N 2.98Å; F45-K49 PolarHBondContact O-N 3.44Å; F45-Q50 WeakPolarHBondContact CB-O 3.25Å; F45-Q50 HydrophobicContact CD1-CB 3.96Å; F45-Q50 HydrophobicContact CD1-CG 3.88Å; F45-Q50 WeakPolarHBondContact CD1-O 3.5Å; F45-Q50 HydrophobicContact CE1-CG 4.07Å; F45-Q50 PolarHBondContact O-N 3.21Å; F45-L53 HydrophobicContact CE1-CB 3.7Å; F45-L53 HydrophobicContact CE2-CB 4.2Å; F45-L53 HydrophobicContact CE2-CD2 3.69Å; F45-L53 HydrophobicContact CZ-CB 3.39Å; F45-L53 HydrophobicContact CZ-CD2 3.75Å; F45-L53 HydrophobicContact CZ-CG 4.25Å; F45-I58 HydrophobicContact CE2-CG2 4.42Å; F45-I58 HydrophobicContact CZ-CG2 3.8Å; F45-L65 HydrophobicContact CE2-CD2 3.79Å; F45-L65 HydrophobicContact CZ-CD2 4.41Å; F45-I105 HydrophobicContact CB-CB 4.48Å; F45-I105 HydrophobicContact CB-CG2 4.03Å; F45-I105 HydrophobicContact CD2-CG1 4.02Å; F45-I105 HydrophobicContact CD2-CG2 4.43Å; F45-I105 HydrophobicContact CE2-CG1 4.32Å; F45-I105 HydrophobicContact CG-CB 4.46Å; F45-I105 HydrophobicContact CG-CG1 4.24Å; F45-I105 HydrophobicContact CG-CG2 4.37Å; F45-W107 HydrophobicContact CB-CE3 4.36Å; F45-W107 HydrophobicContact CB-CZ3 4.08Å
46Q93Very high95.3Very high75 Ų7536.8 Ų36.835%0.3520%0.199SC..Hα-helixtrans-60.2-49.3173179.3-176.613.200111.6L42 K48 K49 W107L42-Q46 WeakPolarHBondContact O-CB 3.27Å; L42-Q46 PolarHBondContact O-N 3.37Å; Q46-K48 PolarHBondContact O-N 2.81Å; Q46-K49 PolarHBondContact O-N 3.22Å; Q46-W107 HydrophobicContact CB-CD2 3.92Å; Q46-W107 HydrophobicContact CB-CE3 4.45Å; Q46-W107 HydrophobicContact CB-CG 3.97Å; Q46-W107 HydrophobicContact CB-CZ2 4.46Å; Q46-W107 HydrophobicContact CG-CD2 4.4Å; Q46-W107 HydrophobicContact CG-CG 4.27Å
47S92.2Very high95.2Very high26 Ų2639.3 Ų39.318%0.18222%0.216CC..Hα-helixtrans-62.1-37-17980.80000110.4N7 V9 N43 Y44 K49N7-S47 WeakPolarHBondContact CB-O 3.37Å; N7-S47 PolarHBondContact ND2-O 3.08Å; V9-S47 VanDerWaalsContact CG2-OG 3.3Å; V9-S47 WeakPolarHBondContact CG2-OG 3.26Å; N43-S47 WeakPolarHBondContact O-CB 3.25Å; N43-S47 PolarHBondContact O-N 3.38Å; Y44-S47 PolarHBondContact O-OG 2.87Å; S47-K49 VanDerWaalsContact C-N 3.27Å; S47-K49 PolarHBondContact O-N 2.9Å
48K91.1Very high95.2Very high94 Ų9439.6 Ų39.641%0.40922%0.218SC..THydrogen-bonded Turntrans-79.2-3.9176.9-67.5-171.7170.7-162.20114.9Y44 F45 Q46 Q50Y44-K48 HydrophobicContact CD1-CD 4.42Å; Y44-K48 HydrophobicContact CE1-CD 3.84Å; Y44-K48 VanDerWaalsContact CZ-CE 3.48Å; Y44-K48 WeakPolarHBondContact O-CG 3.37Å; Y44-K48 PolarHBondContact O-N 2.88Å; Y44-K48 WeakPolarHBondContact OH-CE 3.5Å; Y44-K48 PolarHBondContact OH-NZ 3.17Å; F45-K48 CarbonylContact O-C 3.51Å; F45-K48 PolarHBondContact O-N 2.98Å; Q46-K48 PolarHBondContact O-N 2.81Å; K48-Q50 HydrophobicContact CB-CB 4.14Å; K48-Q50 PolarHBondContact O-N 3.01Å
49K89.3Confident95.1Very high77 Ų7744.3 Ų44.334%0.33524%0.235SC..THydrogen-bonded Turntrans49.336.5-170.1-58.1-173.6-178.9178.60112.5F45 Q46 S47 F51 H148F45-K49 PolarHBondContact O-N 3.44Å; Q46-K49 PolarHBondContact O-N 3.22Å; S47-K49 VanDerWaalsContact C-N 3.27Å; S47-K49 PolarHBondContact O-N 2.9Å; K49-F51 WeakPolarHBondContact O-CD2 3.22Å; K49-F51 WeakPolarHBondContact O-CE2 3.19Å; K49-H148 WeakPolarHBondContact CD-O 3.1Å; K49-H148 WeakPolarHBondContact CE-O 3.49Å; K49-H148 PolarHBondContact NZ-O 2.95Å
50Q92.4Very high95Very high80 Ų8042.9 Ų42.937%0.37423%0.231SC..  trans-106.7113.6-176.6177.2178.5-4.300109.5F45 K48 T52 W107F45-Q50 WeakPolarHBondContact CB-O 3.25Å; F45-Q50 HydrophobicContact CD1-CB 3.96Å; F45-Q50 HydrophobicContact CD1-CG 3.88Å; F45-Q50 WeakPolarHBondContact CD1-O 3.5Å; F45-Q50 HydrophobicContact CE1-CG 4.07Å; F45-Q50 PolarHBondContact O-N 3.21Å; K48-Q50 HydrophobicContact CB-CB 4.14Å; K48-Q50 PolarHBondContact O-N 3.01Å; Q50-T52 WeakPolarHBondContact CG-O 3.39Å; Q50-T52 PolarHBondContact NE2-O 2.8Å; Q50-W107 VanDerWaalsContact O-CZ3 3.28Å; Q50-W107 WeakPolarHBondContact O-CZ3 3.21Å
51F92.8Very high94.8Very high14 Ų1446.9 Ų46.96%0.06126%0.257CS..  trans-93.6-6.9-174-64.8-91.9000113.9K49 R104 I105 W107 W113 L150 D151 V154K49-F51 WeakPolarHBondContact O-CD2 3.22Å; K49-F51 WeakPolarHBondContact O-CE2 3.19Å; F51-R104 CarbonylContact O-C 3.38Å; F51-R104 VanDerWaalsContact O-CA 3.26Å; F51-R104 WeakPolarHBondContact O-CA 3.3Å; F51-R104 WeakPolarHBondContact O-CG 3.37Å; F51-I105 PolarHBondContact O-N 3.35Å; F51-W107 HydrophobicContact CD1-CE3 4.45Å; F51-W107 AromaticContact CD1-CH2 3.24Å; F51-W107 HydrophobicContact CD1-CH2 3.24Å; F51-W107 AromaticContact CD1-CZ2 3.74Å; F51-W107 HydrophobicContact CD1-CZ2 3.74Å; F51-W107 AromaticContact CD1-CZ3 3.64Å; F51-W107 HydrophobicContact CD1-CZ3 3.64Å; F51-W107 AromaticContact CD2-CH2 3.82Å; F51-W107 HydrophobicContact CD2-CH2 3.82Å; F51-W107 HydrophobicContact CD2-CZ2 4.47Å; F51-W107 HydrophobicContact CE1-CD2 4.47Å; F51-W107 AromaticContact CE1-CE2 3.75Å; F51-W107 HydrophobicContact CE1-CE3 4.49Å; F51-W107 AromaticContact CE1-CH2 3.08Å; F51-W107 HydrophobicContact CE1-CH2 3.08Å; F51-W107 AromaticContact CE1-CZ2 3.04Å; F51-W107 HydrophobicContact CE1-CZ2 3.04Å; F51-W107 AromaticContact CE1-CZ3 3.85Å; F51-W107 HydrophobicContact CE1-CZ3 3.85Å; F51-W107 AromaticContact CE2-CH2 3.63Å; F51-W107 HydrophobicContact CE2-CH2 3.63Å; F51-W107 AromaticContact CE2-CZ2 3.85Å; F51-W107 HydrophobicContact CE2-CZ2 3.85Å; F51-W107 AromaticContact CG-CH2 3.62Å; F51-W107 HydrophobicContact CG-CH2 3.62Å; F51-W107 HydrophobicContact CG-CZ2 4.41Å; F51-W107 HydrophobicContact CG-CZ3 4.1Å; F51-W107 AromaticContact CZ-CH2 3.24Å; F51-W107 HydrophobicContact CZ-CH2 3.24Å; F51-W107 AromaticContact CZ-CZ2 3.06Å; F51-W107 HydrophobicContact CZ-CZ2 3.06Å; F51-W107 HydrophobicContact CZ-CZ3 4.39Å; F51-W113 HydrophobicContact CE1-CZ2 4.23Å; F51-W113 HydrophobicContact CZ-CZ2 4.37Å; F51-L150 HydrophobicContact CE1-CD1 3.64Å; F51-L150 HydrophobicContact CE2-CD1 3.86Å; F51-L150 HydrophobicContact CZ-CD1 3.13Å; F51-L150 HydrophobicContact CZ-CG 4.45Å; F51-D151 HydrophobicContact CD2-CB 3.52Å; F51-D151 HydrophobicContact CE2-CB 3.95Å; F51-D151 HydrophobicContact CG-CB 4.22Å; F51-V154 HydrophobicContact CB-CG2 4.11Å; F51-V154 HydrophobicContact CD1-CB 4.36Å; F51-V154 HydrophobicContact CD1-CG1 4.24Å; F51-V154 HydrophobicContact CD1-CG2 3.61Å; F51-V154 HydrophobicContact CD2-CG2 4.36Å; F51-V154 HydrophobicContact CE1-CB 4.35Å; F51-V154 HydrophobicContact CE1-CG1 3.96Å; F51-V154 HydrophobicContact CE1-CG2 4.08Å; F51-V154 HydrophobicContact CG-CG2 3.75Å
52T94.3Very high94.6Very high74 Ų7451 Ų5145%0.45429%0.286SS..EExtended strand (participates in β ladder)trans-124.1147179.4580000110.5Q50 L96 A103Q50-T52 WeakPolarHBondContact CG-O 3.39Å; Q50-T52 PolarHBondContact NE2-O 2.8Å; T52-L96 HydrophobicContact CG2-CD1 4.34Å; T52-A103 CarbonylContact C-O 3.59Å; T52-A103 VanDerWaalsContact CA-O 3.29Å; T52-A103 WeakPolarHBondContact CA-O 3.48Å
53L95.9Very high94.6Very high5 Ų551 Ų513%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-130.5151.9171.570.474.7000110.9F45 V55 I58 L84 L93 N102 A103 I105F45-L53 HydrophobicContact CE1-CB 3.7Å; F45-L53 HydrophobicContact CE2-CB 4.2Å; F45-L53 HydrophobicContact CE2-CD2 3.69Å; F45-L53 HydrophobicContact CZ-CB 3.39Å; F45-L53 HydrophobicContact CZ-CD2 3.75Å; F45-L53 HydrophobicContact CZ-CG 4.25Å; L53-V55 HydrophobicContact CD1-CG2 4.28Å; L53-I58 HydrophobicContact CB-CG2 4.23Å; L53-I58 HydrophobicContact CD1-CD1 4.17Å; L53-I58 HydrophobicContact CD2-CD1 4.32Å; L53-L84 HydrophobicContact CD2-CD2 4.28Å; L53-L93 HydrophobicContact CD2-CD1 4.46Å; L53-N102 VanDerWaalsContact O-CA 3.32Å; L53-N102 WeakPolarHBondContact O-CA 3.32Å; L53-A103 HydrophobicContact CD1-CB 3.96Å; L53-A103 HydrophobicContact CG-CB 4.15Å; L53-A103 PolarHBondContact N-O 2.96Å; L53-A103 PolarHBondContact O-N 3.39Å; L53-I105 HydrophobicContact CD2-CD1 3.5Å; L53-I105 HydrophobicContact CD2-CG1 3.49Å; L53-I105 VanDerWaalsContact CD2-CG1 3.49Å; L53-I105 HydrophobicContact CG-CD1 4.34Å; L53-I105 HydrophobicContact CG-CG1 4.07Å
54S97.3Very high94.7Very high30 Ų3050.8 Ų50.821%0.2129%0.288CS..EExtended strand (participates in β ladder)trans-109.3132.2163.5175.50000108.3A56 S57 I58 T101S54-A56 PolarHBondContact O-N 3.09Å; S54-A56 PolarHBondContact OG-N 2.87Å; S54-S57 PolarHBondContact O-N 3.42Å; S54-S57 VanDerWaalsContact O-N 3.12Å; S54-I58 PolarHBondContact O-N 3.12Å; S54-T101 WeakPolarHBondContact CA-O 3.5Å
55V97.5Very high94.7Very high17 Ų1750.5 Ų50.510%0.10329%0.287CS..Hα-helixtrans-59.8-36.2178.1175.70000110.8L53 I58 R59 L84 W95 H100 T101L53-V55 HydrophobicContact CD1-CG2 4.28Å; V55-I58 WeakPolarHBondContact O-CG1 3.25Å; V55-R59 HydrophobicContact CG1-CG 4.46Å; V55-R59 WeakPolarHBondContact O-CB 3.46Å; V55-R59 VanDerWaalsContact O-CG 3.25Å; V55-R59 WeakPolarHBondContact O-CG 3.5Å; V55-R59 PolarHBondContact O-N 3.47Å; V55-L84 HydrophobicContact CG1-CD1 4.47Å; V55-L84 HydrophobicContact CG2-CD1 3.99Å; V55-W95 HydrophobicContact CG2-CH2 3.88Å; V55-W95 HydrophobicContact CG2-CZ3 3.7Å; V55-H100 WeakPolarHBondContact CG2-O 3.3Å; V55-T101 PolarHBondContact N-O 3.23Å
56A96.7Very high94.8Very high72 Ų7250.8 Ų50.860%0.59529%0.289SS*.Hα-helixtrans-62.5-47.2174.900000111.3S54 I58 R59 D60S54-A56 PolarHBondContact O-N 3.09Å; S54-A56 PolarHBondContact OG-N 2.87Å; A56-I58 PolarHBondContact O-N 2.59Å; A56-R59 PolarHBondContact O-N 3.23Å; A56-D60 PolarHBondContact O-N 3.49Å; A56-D60 VanDerWaalsContact O-N 3.11Å
57S96.4Very high95Very high73 Ų7348.2 Ų48.251%0.5128%0.277SS..Hα-helixtrans-65.6-39.2-178.5-56.10000113.4S54 R59 D60 C63S54-S57 PolarHBondContact O-N 3.42Å; S54-S57 VanDerWaalsContact O-N 3.12Å; S57-R59 VanDerWaalsContact C-N 3.31Å; S57-R59 PolarHBondContact O-N 2.95Å; S57-D60 PolarHBondContact O-N 2.89Å; S57-C63 VanDerWaalsContact O-CB 3.27Å; S57-C63 WeakPolarHBondContact O-CB 3.5Å
58I97.1Very high95.3Very high7 Ų747.4 Ų47.44%0.03627%0.271CS..Hα-helixtrans-74.6-22.1179.265.7175.5000113F45 L53 S54 V55 A56 L65 F66 V80 L84F45-I58 HydrophobicContact CE2-CG2 4.42Å; F45-I58 HydrophobicContact CZ-CG2 3.8Å; L53-I58 HydrophobicContact CB-CG2 4.23Å; L53-I58 HydrophobicContact CD1-CD1 4.17Å; L53-I58 HydrophobicContact CD2-CD1 4.32Å; S54-I58 PolarHBondContact O-N 3.12Å; V55-I58 WeakPolarHBondContact O-CG1 3.25Å; A56-I58 PolarHBondContact O-N 2.59Å; I58-L65 HydrophobicContact CG2-CD2 4.37Å; I58-F66 HydrophobicContact CB-CD2 4.25Å; I58-F66 HydrophobicContact CB-CE2 4.2Å; I58-F66 HydrophobicContact CD1-CE2 3.81Å; I58-F66 HydrophobicContact CG1-CD2 4.46Å; I58-F66 HydrophobicContact CG1-CE2 4.23Å; I58-V80 HydrophobicContact CD1-CG1 4.35Å; I58-L84 HydrophobicContact CD1-CD1 4.03Å; I58-L84 HydrophobicContact CD1-CD2 3.93Å; I58-L84 HydrophobicContact CD1-CG 4.48Å
59R96Very high95.5Very high101 Ų10150 Ų5038%0.38128%0.282SS..Hα-helixtrans-87.5-13.8175.8-72.7176.9173.4-161.4-8113.3V55 A56 S57 P77 V80 D81V55-R59 HydrophobicContact CG1-CG 4.46Å; V55-R59 WeakPolarHBondContact O-CB 3.46Å; V55-R59 VanDerWaalsContact O-CG 3.25Å; V55-R59 WeakPolarHBondContact O-CG 3.5Å; V55-R59 PolarHBondContact O-N 3.47Å; A56-R59 PolarHBondContact O-N 3.23Å; S57-R59 VanDerWaalsContact C-N 3.31Å; S57-R59 PolarHBondContact O-N 2.95Å; R59-P77 PolarHBondContact NH2-O 3.32Å; R59-V80 HydrophobicContact CG-CG1 4.37Å; R59-D81 IonicContact CZ-OD1 2.68Å; R59-D81 IonicContact NH2-OD1 2.59Å; R59-D81 PolarHBondContact NH2-OD1 2.88Å; R59-D81 IonicContact NH2-OD2 3.91Å; R59-D81 PolarHBondContact NH2-OD2 2.84Å
60D95.7Very high95.7Very high74 Ų7450.7 Ų50.740%0.39630%0.297SS..SBendtrans-62.8131.4177.3-171-77.2000110.6A56 S57 S62 C63A56-D60 PolarHBondContact O-N 3.49Å; A56-D60 VanDerWaalsContact O-N 3.11Å; S57-D60 PolarHBondContact O-N 2.89Å; D60-S62 PolarHBondContact O-N 2.94Å; D60-S62 VanDerWaalsContact O-N 3.08Å; D60-S62 WeakPolarHBondContact OD1-CA 3.34Å; D60-S62 WeakPolarHBondContact OD1-CB 3.25Å; D60-S62 PolarHBondContact OD1-N 3.06Å; D60-S62 PolarHBondContact OD1-OG 3.39Å; D60-C63 WeakPolarHBondContact O-CA 3.31Å; D60-C63 VanDerWaalsContact O-CB 3.28Å; D60-C63 WeakPolarHBondContact O-CB 3.41Å; D60-C63 PolarHBondContact O-N 2.91Å
61P93.2Very high95.9Very high87 Ų8749 Ų4957%0.56529%0.289SS*.THydrogen-bonded Turntrans-61.7-15.4179.5-2534.8000115.2C63 N67 K69P61-C63 VanDerWaalsContact C-N 3.32Å; P61-N67 PolarHBondContact O-ND2 3.18Å; P61-K69 WeakPolarHBondContact O-CE 3.48Å
62S93.8Very high96.1Very high86 Ų8656.5 Ų56.560%0.60133%0.325SS*.THydrogen-bonded Turntrans-73.7-24.7169.971.80000112.5D60 P64D60-S62 PolarHBondContact O-N 2.94Å; D60-S62 VanDerWaalsContact O-N 3.08Å; D60-S62 WeakPolarHBondContact OD1-CA 3.34Å; D60-S62 WeakPolarHBondContact OD1-CB 3.25Å; D60-S62 PolarHBondContact OD1-N 3.06Å; D60-S62 PolarHBondContact OD1-OG 3.39Å; S62-P64 WeakPolarHBondContact O-CD 3.25Å
63C95.5Very high96.2Very high17 Ų1758.8 Ų58.812%0.11533%0.325CS..  trans-76.8121.4175.1-174.20000110.4S57 D60 P61 L65 N67S57-C63 VanDerWaalsContact O-CB 3.27Å; S57-C63 WeakPolarHBondContact O-CB 3.5Å; D60-C63 WeakPolarHBondContact O-CA 3.31Å; D60-C63 VanDerWaalsContact O-CB 3.28Å; D60-C63 WeakPolarHBondContact O-CB 3.41Å; D60-C63 PolarHBondContact O-N 2.91Å; P61-C63 VanDerWaalsContact C-N 3.32Å; C63-L65 VanDerWaalsContact C-N 3.29Å; C63-L65 PolarHBondContact O-N 3.34Å; C63-N67 WeakPolarHBondContact O-CB 3.38Å
64P96.5Very high96.3Very high49 Ų4961.9 Ų61.932%0.31835%0.347SS..SBendtrans-74.5-16.1-177.728.6-34.9000113.5W11 Y15 Y44 S62 F66 N67W11-P64 HydrophobicContact CH2-CB 4.01Å; W11-P64 HydrophobicContact CH2-CG 4.22Å; W11-P64 HydrophobicContact CZ2-CB 4.08Å; W11-P64 HydrophobicContact CZ2-CG 4.2Å; Y15-P64 PolarHBondContact OH-O 3.46Å; Y44-P64 HydrophobicContact CE2-CG 4.08Å; S62-P64 WeakPolarHBondContact O-CD 3.25Å; P64-F66 VanDerWaalsContact C-N 3.32Å; P64-F66 PolarHBondContact O-N 3.46Å; P64-N67 PolarHBondContact O-N 2.86Å
65L97.3Very high96.4Very high0 Ų061.2 Ų61.20%034%0.343CS..THydrogen-bonded Turntrans-53.8-46.4-170.7176.856.3000113.1W37 L40 V41 Y44 F45 I58 C63W37-L65 WeakPolarHBondContact CZ3-O 3.27Å; L40-L65 HydrophobicContact CG-CD1 4.23Å; V41-L65 HydrophobicContact CG2-CD1 4.19Å; V41-L65 HydrophobicContact CG2-CD2 4.25Å; Y44-L65 HydrophobicContact CD1-CB 4.34Å; Y44-L65 HydrophobicContact CD1-CD1 4.19Å; Y44-L65 HydrophobicContact CD1-CD2 3.99Å; Y44-L65 HydrophobicContact CD1-CG 4.41Å; Y44-L65 HydrophobicContact CD2-CB 4.29Å; Y44-L65 HydrophobicContact CD2-CD1 4.05Å; Y44-L65 HydrophobicContact CE1-CB 4.16Å; Y44-L65 HydrophobicContact CE1-CD2 4.28Å; Y44-L65 HydrophobicContact CE2-CB 4.11Å; Y44-L65 HydrophobicContact CG-CB 4.39Å; Y44-L65 HydrophobicContact CG-CD1 3.76Å; Y44-L65 HydrophobicContact CG-CD2 4.41Å; Y44-L65 HydrophobicContact CG-CG 4.41Å; F45-L65 HydrophobicContact CE2-CD2 3.79Å; F45-L65 HydrophobicContact CZ-CD2 4.41Å; I58-L65 HydrophobicContact CG2-CD2 4.37Å; C63-L65 VanDerWaalsContact C-N 3.29Å; C63-L65 PolarHBondContact O-N 3.34Å
66F97.8Very high96.3Very high9 Ų962.4 Ų62.44%0.03935%0.353CS..THydrogen-bonded Turntrans-111.710.9178.9-65.2-61.9000113.2W37 V41 I58 P64 S74 A75 V80 I83W37-F66 HydrophobicContact CD2-CE1 4.37Å; W37-F66 AromaticContact CE3-CD1 3.88Å; W37-F66 HydrophobicContact CE3-CD1 3.88Å; W37-F66 AromaticContact CE3-CE1 3.67Å; W37-F66 HydrophobicContact CE3-CE1 3.67Å; W37-F66 HydrophobicContact CH2-CD1 4.07Å; W37-F66 AromaticContact CZ3-CD1 3.58Å; W37-F66 HydrophobicContact CZ3-CD1 3.58Å; W37-F66 AromaticContact CZ3-CE1 3.86Å; W37-F66 HydrophobicContact CZ3-CE1 3.86Å; V41-F66 HydrophobicContact CG2-CE1 4.13Å; V41-F66 HydrophobicContact CG2-CZ 3.68Å; I58-F66 HydrophobicContact CB-CD2 4.25Å; I58-F66 HydrophobicContact CB-CE2 4.2Å; I58-F66 HydrophobicContact CD1-CE2 3.81Å; I58-F66 HydrophobicContact CG1-CD2 4.46Å; I58-F66 HydrophobicContact CG1-CE2 4.23Å; P64-F66 VanDerWaalsContact C-N 3.32Å; P64-F66 PolarHBondContact O-N 3.46Å; F66-S74 CarbonylContact O-C 3.46Å; F66-S74 VanDerWaalsContact O-CA 3.25Å; F66-S74 WeakPolarHBondContact O-CA 3.1Å; F66-A75 HydrophobicContact CB-CB 4.09Å; F66-A75 HydrophobicContact CD1-CB 4.13Å; F66-A75 HydrophobicContact CG-CB 4.46Å; F66-A75 PolarHBondContact O-N 3.18Å; F66-V80 HydrophobicContact CB-CG2 4.23Å; F66-V80 HydrophobicContact CD1-CG2 4.01Å; F66-V80 HydrophobicContact CD2-CG1 4.17Å; F66-V80 HydrophobicContact CD2-CG2 3.98Å; F66-V80 HydrophobicContact CE1-CG2 4.38Å; F66-V80 HydrophobicContact CE2-CG1 3.89Å; F66-V80 HydrophobicContact CE2-CG2 4.34Å; F66-V80 HydrophobicContact CG-CG2 3.8Å; F66-V80 HydrophobicContact CZ-CG1 4.24Å; F66-I83 HydrophobicContact CE1-CD1 3.78Å; F66-I83 HydrophobicContact CZ-CG2 4.43Å
67N97.5Very high96.2Very high20 Ų2062.9 Ų62.911%0.10735%0.349CS..EExtended strand (participates in β ladder)trans-136.1103.8-177.8-175.430.6000112.1Y15 P61 C63 P64 R73 S74Y15-N67 PolarHBondContact OH-O 3.35Å; P61-N67 PolarHBondContact O-ND2 3.18Å; C63-N67 WeakPolarHBondContact O-CB 3.38Å; P64-N67 PolarHBondContact O-N 2.86Å; N67-R73 PolarHBondContact OD1-O 3.03Å; N67-S74 PolarHBondContact OD1-OG 3.38Å
68N97Very high96.2Very high9 Ų965.1 Ų65.15%0.04835%0.352CS..EExtended strand (participates in β ladder)trans-96.199.6174.2-168.2-8.2000111.5Y15 N16 F21 S70 I71 Q72 R73Y15-N68 HydrophobicContact CD1-CB 4.43Å; Y15-N68 WeakPolarHBondContact CD1-ND2 3.45Å; Y15-N68 HydrophobicContact CE1-CB 3.72Å; Y15-N68 WeakPolarHBondContact CE1-ND2 3.35Å; Y15-N68 HydrophobicContact CE2-CB 4.14Å; Y15-N68 PolarHBondContact O-ND2 2.84Å; Y15-N68 WeakPolarHBondContact OH-CA 3.44Å; Y15-N68 WeakPolarHBondContact OH-CB 3.33Å; N16-N68 PolarHBondContact OD1-ND2 3.17Å; F21-N68 HydrophobicContact CE1-CB 3.97Å; F21-N68 HydrophobicContact CE2-CB 4.11Å; F21-N68 HydrophobicContact CZ-CB 3.44Å; F21-N68 VanDerWaalsContact CZ-CB 3.44Å; N68-S70 VanDerWaalsContact C-N 3.29Å; N68-S70 PolarHBondContact O-N 2.7Å; N68-S70 PolarHBondContact OD1-N 3.17Å; N68-S70 PolarHBondContact OD1-OG 2.7Å; N68-I71 HydrophobicContact CB-CD1 4.37Å; N68-I71 HydrophobicContact CB-CG1 3.92Å; N68-Q72 PolarHBondContact O-N 2.83Å; N68-Q72 VanDerWaalsContact O-N 3.12Å; N68-R73 PolarHBondContact N-O 3.26Å; N68-R73 PolarHBondContact O-N 2.94Å; N68-R73 VanDerWaalsContact O-N 3.08Å
69K95Very high96.3Very high149 Ų14964.8 Ų64.865%0.64835%0.35SS*.THydrogen-bonded Turntrans-64.7-28.6177.7-63.1-177.9-178.2176.70113.3P61 I71 Q72P61-K69 WeakPolarHBondContact O-CE 3.48Å; K69-I71 PolarHBondContact O-N 2.74Å; K69-Q72 PolarHBondContact O-N 3.34Å
70S95.1Very high96.4Very high92 Ų9260.1 Ų60.164%0.64333%0.333SS*.THydrogen-bonded Turntrans-69.8-33-175.871.80000112.8N68N68-S70 VanDerWaalsContact C-N 3.29Å; N68-S70 PolarHBondContact O-N 2.7Å; N68-S70 PolarHBondContact OD1-N 3.17Å; N68-S70 PolarHBondContact OD1-OG 2.7Å
71I96.3Very high96.4Very high43 Ų4360 Ų6022%0.22133%0.332CS..THydrogen-bonded Turntrans-106.85.6176.968.4171000113.2P18 F21 N68 K69 R73P18-I71 HydrophobicContact CG-CD1 4.29Å; F21-I71 HydrophobicContact CD2-CD1 4.08Å; F21-I71 HydrophobicContact CE2-CD1 3.73Å; N68-I71 HydrophobicContact CB-CD1 4.37Å; N68-I71 HydrophobicContact CB-CG1 3.92Å; K69-I71 PolarHBondContact O-N 2.74Å; I71-R73 HydrophobicContact CD1-CB 4.04Å; I71-R73 HydrophobicContact CD1-CG 3.93Å; I71-R73 HydrophobicContact CG1-CB 3.95Å; I71-R73 HydrophobicContact CG1-CG 3.92Å; I71-R73 PolarHBondContact O-N 2.8Å
72Q96.4Very high96.7Very high172 Ų17259 Ų5980%0.80432%0.322SS*.THydrogen-bonded Turntrans54.948-179.4-55.3177.13.900113N68 K69N68-Q72 PolarHBondContact O-N 2.83Å; N68-Q72 VanDerWaalsContact O-N 3.12Å; K69-Q72 PolarHBondContact O-N 3.34Å
73R97.5Very high96.9Very high123 Ų12354.9 Ų54.946%0.46429%0.293SS..EExtended strand (participates in β ladder)trans-129.9143.8178.4-64.9-62.7-178.2-152.52.7111.8P18 F21 N67 N68 I71P18-R73 HydrophobicContact CB-CG 4.11Å; F21-R73 HydrophobicContact CB-CB 3.86Å; F21-R73 HydrophobicContact CD1-CB 4.18Å; F21-R73 HydrophobicContact CD2-CB 3.68Å; F21-R73 HydrophobicContact CD2-CG 4.43Å; F21-R73 HydrophobicContact CE2-CB 4.33Å; F21-R73 HydrophobicContact CG-CB 3.62Å; N67-R73 PolarHBondContact OD1-O 3.03Å; N68-R73 PolarHBondContact N-O 3.26Å; N68-R73 PolarHBondContact O-N 2.94Å; N68-R73 VanDerWaalsContact O-N 3.08Å; I71-R73 HydrophobicContact CD1-CB 4.04Å; I71-R73 HydrophobicContact CD1-CG 3.93Å; I71-R73 HydrophobicContact CG1-CB 3.95Å; I71-R73 HydrophobicContact CG1-CG 3.92Å; I71-R73 PolarHBondContact O-N 2.8Å
74S97.7Very high97Very high70 Ų7054.1 Ų54.149%0.4929%0.288SS..EExtended strand (participates in β ladder)trans-137.8146173.6-380000109.2F66 N67F66-S74 CarbonylContact O-C 3.46Å; F66-S74 VanDerWaalsContact O-CA 3.25Å; F66-S74 WeakPolarHBondContact O-CA 3.1Å; N67-S74 PolarHBondContact OD1-OG 3.38Å
75A97.8Very high97.1Very high15 Ų1555.8 Ų55.812%0.12430%0.297CS..  trans-70.7141.5176.700000109.8F66 L79 V80F66-A75 HydrophobicContact CB-CB 4.09Å; F66-A75 HydrophobicContact CD1-CB 4.13Å; F66-A75 HydrophobicContact CG-CB 4.46Å; F66-A75 PolarHBondContact O-N 3.18Å; A75-L79 HydrophobicContact CB-CB 4.46Å; A75-L79 HydrophobicContact CB-CD2 3.88Å; A75-L79 HydrophobicContact CB-CG 4.26Å; A75-V80 HydrophobicContact CB-CG2 3.93Å
76S95.8Very high97.1Very high43 Ų4358.1 Ų58.130%0.30131%0.308SS..  trans-66.9154.1172.664.70000110.9E78 L79 V80S76-E78 PolarHBondContact O-N 3.26Å; S76-L79 PolarHBondContact O-N 2.89Å; S76-L79 WeakPolarHBondContact OG-CB 3.31Å; S76-L79 PolarHBondContact OG-N 3.21Å; S76-V80 WeakPolarHBondContact O-CG2 3.38Å; S76-V80 PolarHBondContact O-N 3.36Å
77P95.4Very high97.1Very high81 Ų8157.7 Ų57.753%0.52631%0.306SS..Hα-helixtrans-53.1-40.1173.9-27.935.7000113R59 L79 V80 D81R59-P77 PolarHBondContact NH2-O 3.32Å; P77-L79 PolarHBondContact O-N 2.61Å; P77-V80 PolarHBondContact O-N 3.08Å; P77-D81 PolarHBondContact O-N 3.08Å
78E96.6Very high97.2Very high121 Ų12161.1 Ų61.157%0.56532%0.322SS*.Hα-helixtrans-59.5-44.4175.5-176.6-173.5-178.500112.4L23 S76 D81 L82L23-E78 HydrophobicContact CD2-CG 4.18Å; L23-E78 WeakPolarHBondContact CD2-OE1 3.44Å; S76-E78 PolarHBondContact O-N 3.26Å; E78-D81 PolarHBondContact O-N 2.88Å; E78-L82 HydrophobicContact CG-CD1 4.5Å; E78-L82 WeakPolarHBondContact O-CG 3.3Å; E78-L82 PolarHBondContact O-N 3.36Å
79L97.9Very high97.2Very high0 Ų068.5 Ų68.50%035%0.353CS..Hα-helixtrans-64.1-43.1177.2175.657.1000110.7L23 I34 A75 S76 P77 D81 L82 I83L23-L79 HydrophobicContact CD1-CD1 4.02Å; I34-L79 HydrophobicContact CD1-CD1 3.63Å; A75-L79 HydrophobicContact CB-CB 4.46Å; A75-L79 HydrophobicContact CB-CD2 3.88Å; A75-L79 HydrophobicContact CB-CG 4.26Å; S76-L79 PolarHBondContact O-N 2.89Å; S76-L79 WeakPolarHBondContact OG-CB 3.31Å; S76-L79 PolarHBondContact OG-N 3.21Å; P77-L79 PolarHBondContact O-N 2.61Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-D81 PolarHBondContact O-N 3.47Å; L79-L82 PolarHBondContact O-N 2.91Å; L79-I83 HydrophobicContact CD1-CD1 3.93Å; L79-I83 HydrophobicContact CD1-CG1 4.29Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 VanDerWaalsContact O-CD1 3.27Å; L79-I83 WeakPolarHBondContact O-CD1 3.36Å; L79-I83 WeakPolarHBondContact O-CG1 3.21Å; L79-I83 PolarHBondContact O-N 3.32Å
80V98Very high97.2Very high3 Ų366.1 Ų66.12%0.01834%0.34CS..Hα-helixtrans-60.3-44.8176.3177.90000110.8I58 R59 F66 A75 S76 P77 L82 I83 L84I58-V80 HydrophobicContact CD1-CG1 4.35Å; R59-V80 HydrophobicContact CG-CG1 4.37Å; F66-V80 HydrophobicContact CB-CG2 4.23Å; F66-V80 HydrophobicContact CD1-CG2 4.01Å; F66-V80 HydrophobicContact CD2-CG1 4.17Å; F66-V80 HydrophobicContact CD2-CG2 3.98Å; F66-V80 HydrophobicContact CE1-CG2 4.38Å; F66-V80 HydrophobicContact CE2-CG1 3.89Å; F66-V80 HydrophobicContact CE2-CG2 4.34Å; F66-V80 HydrophobicContact CG-CG2 3.8Å; F66-V80 HydrophobicContact CZ-CG1 4.24Å; A75-V80 HydrophobicContact CB-CG2 3.93Å; S76-V80 WeakPolarHBondContact O-CG2 3.38Å; S76-V80 PolarHBondContact O-N 3.36Å; P77-V80 PolarHBondContact O-N 3.08Å; V80-L82 PolarHBondContact O-N 2.77Å; V80-I83 WeakPolarHBondContact O-CB 3.37Å; V80-I83 PolarHBondContact O-N 3.49Å; V80-I83 VanDerWaalsContact O-N 3.15Å; V80-L84 HydrophobicContact CG1-CD1 4Å; V80-L84 HydrophobicContact CG1-CG 4.32Å; V80-L84 WeakPolarHBondContact O-CG 3.32Å; V80-L84 PolarHBondContact O-N 3.12Å
81D97.2Very high97.2Very high72 Ų7263.9 Ų63.939%0.38533%0.331SS..Hα-helixtrans-63.1-39.8178.7-73.8-27.6000112.9R59 P77 E78 L79 I83 L84 T85R59-D81 IonicContact CZ-OD1 2.68Å; R59-D81 IonicContact NH2-OD1 2.59Å; R59-D81 PolarHBondContact NH2-OD1 2.88Å; R59-D81 IonicContact NH2-OD2 3.91Å; R59-D81 PolarHBondContact NH2-OD2 2.84Å; P77-D81 PolarHBondContact O-N 3.08Å; E78-D81 PolarHBondContact O-N 2.88Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-D81 PolarHBondContact O-N 3.47Å; D81-I83 VanDerWaalsContact C-N 3.32Å; D81-I83 PolarHBondContact O-N 3.22Å; D81-L84 PolarHBondContact O-N 3.06Å; D81-T85 VanDerWaalsContact O-CB 3.27Å; D81-T85 WeakPolarHBondContact O-CB 3.5Å; D81-T85 PolarHBondContact O-N 3.31Å; D81-T85 PolarHBondContact O-OG1 3.11Å
82L97.7Very high97.2Very high64 Ų6463.7 Ų63.734%0.33533%0.331SS..Hα-helixtrans-62.6-39.5173.9-72.3172.1000111.9L23 I34 E78 L79 V80 E86L23-L82 HydrophobicContact CD1-CD1 3.6Å; L23-L82 HydrophobicContact CD2-CD1 3.85Å; L23-L82 HydrophobicContact CG-CD1 4.41Å; I34-L82 HydrophobicContact CD1-CB 4.09Å; E78-L82 HydrophobicContact CG-CD1 4.5Å; E78-L82 WeakPolarHBondContact O-CG 3.3Å; E78-L82 PolarHBondContact O-N 3.36Å; L79-L82 PolarHBondContact O-N 2.91Å; V80-L82 PolarHBondContact O-N 2.77Å; L82-E86 VanDerWaalsContact O-CB 3.29Å; L82-E86 WeakPolarHBondContact O-CB 3.23Å; L82-E86 PolarHBondContact O-N 3.49Å
83I98.4Very high97.2Very high0 Ų055.7 Ų55.70%029%0.293CS..Hα-helixtrans-67.1-46.3178.2-65157.7000110.6I34 W37 V41 F66 L79 V80 D81 E86 L87I34-I83 HydrophobicContact CD1-CG1 3.88Å; W37-I83 HydrophobicContact CB-CD1 3.48Å; W37-I83 VanDerWaalsContact CB-CD1 3.48Å; W37-I83 HydrophobicContact CB-CG1 3.63Å; W37-I83 HydrophobicContact CB-CG2 4.07Å; W37-I83 HydrophobicContact CD2-CD1 3.72Å; W37-I83 HydrophobicContact CE3-CD1 4.3Å; W37-I83 HydrophobicContact CG-CD1 3.33Å; W37-I83 HydrophobicContact CG-CG1 3.99Å; V41-I83 HydrophobicContact CG2-CG2 3.98Å; F66-I83 HydrophobicContact CE1-CD1 3.78Å; F66-I83 HydrophobicContact CZ-CG2 4.43Å; L79-I83 HydrophobicContact CD1-CD1 3.93Å; L79-I83 HydrophobicContact CD1-CG1 4.29Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 VanDerWaalsContact O-CD1 3.27Å; L79-I83 WeakPolarHBondContact O-CD1 3.36Å; L79-I83 WeakPolarHBondContact O-CG1 3.21Å; L79-I83 PolarHBondContact O-N 3.32Å; V80-I83 WeakPolarHBondContact O-CB 3.37Å; V80-I83 PolarHBondContact O-N 3.49Å; V80-I83 VanDerWaalsContact O-N 3.15Å; D81-I83 VanDerWaalsContact C-N 3.32Å; D81-I83 PolarHBondContact O-N 3.22Å; I83-E86 PolarHBondContact O-N 2.86Å; I83-L87 HydrophobicContact CG2-CD1 4.07Å; I83-L87 WeakPolarHBondContact O-CB 3.28Å; I83-L87 WeakPolarHBondContact O-CG 3.27Å; I83-L87 PolarHBondContact O-N 3.08Å
84L98.4Very high97.2Very high1 Ų154 Ų541%0.00529%0.291CS..Hα-helixtrans-64.6-40.5178.1-63.7174.7000111.7L53 V55 I58 V80 D81 L87 H88 L93 W95L53-L84 HydrophobicContact CD2-CD2 4.28Å; V55-L84 HydrophobicContact CG1-CD1 4.47Å; V55-L84 HydrophobicContact CG2-CD1 3.99Å; I58-L84 HydrophobicContact CD1-CD1 4.03Å; I58-L84 HydrophobicContact CD1-CD2 3.93Å; I58-L84 HydrophobicContact CD1-CG 4.48Å; V80-L84 HydrophobicContact CG1-CD1 4Å; V80-L84 HydrophobicContact CG1-CG 4.32Å; V80-L84 WeakPolarHBondContact O-CG 3.32Å; V80-L84 PolarHBondContact O-N 3.12Å; D81-L84 PolarHBondContact O-N 3.06Å; L84-L87 PolarHBondContact O-N 3.44Å; L84-H88 WeakPolarHBondContact O-CB 3.47Å; L84-H88 PolarHBondContact O-N 3.15Å; L84-L93 HydrophobicContact CB-CD1 4.25Å; L84-L93 HydrophobicContact CD2-CD1 3.61Å; L84-W95 HydrophobicContact CB-CH2 4.24Å; L84-W95 HydrophobicContact CB-CZ2 4.15Å; L84-W95 HydrophobicContact CD1-CH2 4.07Å
85T97.8Very high97.2Very high85 Ų8552.8 Ų52.852%0.52128%0.275SS..Hα-helixtrans-61.7-44174.8-60.20000111.3D81 H88 K89D81-T85 VanDerWaalsContact O-CB 3.27Å; D81-T85 WeakPolarHBondContact O-CB 3.5Å; D81-T85 PolarHBondContact O-N 3.31Å; D81-T85 PolarHBondContact O-OG1 3.11Å; T85-H88 PolarHBondContact O-N 3.49Å; T85-K89 WeakPolarHBondContact O-CB 3.18Å; T85-K89 PolarHBondContact O-N 2.94Å
86E98.4Very high97.1Very high49 Ų4956.3 Ų56.323%0.22929%0.292CS..Hα-helixtrans-69.4-39.2179.4-175.264.1-165.500111.9I34 L82 I83 H88 K89 R90I34-E86 HydrophobicContact CG2-CB 3.76Å; I34-E86 HydrophobicContact CG2-CG 3.68Å; L82-E86 VanDerWaalsContact O-CB 3.29Å; L82-E86 WeakPolarHBondContact O-CB 3.23Å; L82-E86 PolarHBondContact O-N 3.49Å; I83-E86 PolarHBondContact O-N 2.86Å; E86-H88 VanDerWaalsContact C-N 3.32Å; E86-H88 PolarHBondContact O-N 2.83Å; E86-K89 PolarHBondContact O-N 2.76Å; E86-R90 VanDerWaalsContact CG-NH2 3.34Å; E86-R90 VanDerWaalsContact O-CG 3.26Å; E86-R90 WeakPolarHBondContact O-CG 3.33Å; E86-R90 PolarHBondContact O-N 3.36Å; E86-R90 IonicContact OE1-CZ 2.94Å; E86-R90 VanDerWaalsContact OE1-CZ 3.25Å; E86-R90 IonicContact OE1-NE 3.73Å; E86-R90 PolarHBondContact OE1-NE 2.86Å; E86-R90 IonicContact OE1-NH2 2.7Å; E86-R90 PolarHBondContact OE1-NH2 3.06Å
87L98.3Very high97.1Very high0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-60-42.4171.8-75.9166.3000111.5C38 V41 L42 I83 L84 R90 G91 N92 L93C38-L87 HydrophobicContact CB-CD2 3.82Å; C38-L87 HydrophobicContact CB-CG 4.29Å; V41-L87 HydrophobicContact CB-CD1 3.98Å; V41-L87 HydrophobicContact CG1-CD1 3.63Å; V41-L87 HydrophobicContact CG2-CD1 4.31Å; L42-L87 HydrophobicContact CD1-CD2 4.31Å; L42-L87 HydrophobicContact CD2-CD2 4.16Å; L42-L87 HydrophobicContact CG-CD2 4.08Å; I83-L87 HydrophobicContact CG2-CD1 4.07Å; I83-L87 WeakPolarHBondContact O-CB 3.28Å; I83-L87 WeakPolarHBondContact O-CG 3.27Å; I83-L87 PolarHBondContact O-N 3.08Å; L84-L87 PolarHBondContact O-N 3.44Å; L87-R90 PolarHBondContact O-N 2.88Å; L87-G91 PolarHBondContact O-N 3.24Å; L87-N92 HydrophobicContact CB-CB 4.47Å; L87-N92 HydrophobicContact CD2-CB 3.81Å; L87-N92 PolarHBondContact O-N 2.75Å; L87-L93 HydrophobicContact CB-CB 3.74Å; L87-L93 HydrophobicContact CB-CD1 4.36Å; L87-L93 PolarHBondContact O-N 3.49Å
88H97.7Very high97.1Very high92 Ų9264 Ų6443%0.42631%0.307SS..Hα-helixtrans-62.4-48176.9-178.854.6000111.6L84 T85 E86 R90 G91 L93 W95L84-H88 WeakPolarHBondContact O-CB 3.47Å; L84-H88 PolarHBondContact O-N 3.15Å; T85-H88 PolarHBondContact O-N 3.49Å; E86-H88 VanDerWaalsContact C-N 3.32Å; E86-H88 PolarHBondContact O-N 2.83Å; H88-R90 PolarHBondContact O-N 3.39Å; H88-G91 PolarHBondContact O-N 3.18Å; H88-L93 WeakPolarHBondContact CA-O 3.45Å; H88-L93 HydrophobicContact CB-CB 4.43Å; H88-L93 HydrophobicContact CB-CD2 4.11Å; H88-L93 PolarHBondContact ND1-O 3.12Å; H88-W95 AromaticContact CG-CD1 4Å; H88-W95 AromaticContact CG-NE1 3.91Å; H88-W95 AromaticContact ND1-CD1 3.9Å
89K97.3Very high97.1Very high163 Ų16362.3 Ų62.371%0.70931%0.308SS*.Hα-helixtrans-57.9-32.5177.4-177.9-178.5174.2-172.80113T85 E86 G91T85-K89 WeakPolarHBondContact O-CB 3.18Å; T85-K89 PolarHBondContact O-N 2.94Å; E86-K89 PolarHBondContact O-N 2.76Å; K89-G91 VanDerWaalsContact C-N 3.3Å
90R96.1Very high97Very high100 Ų10067.1 Ų67.138%0.37733%0.33SS..THydrogen-bonded Turntrans-81.8-5.4177.5-68173.4-170.1-162.35.9114N35 E86 L87 H88 N92N35-R90 PolarHBondContact OD1-NH1 2.89Å; N35-R90 PolarHBondContact OD1-NH2 3.42Å; E86-R90 VanDerWaalsContact CG-NH2 3.34Å; E86-R90 VanDerWaalsContact O-CG 3.26Å; E86-R90 WeakPolarHBondContact O-CG 3.33Å; E86-R90 PolarHBondContact O-N 3.36Å; E86-R90 IonicContact OE1-CZ 2.94Å; E86-R90 VanDerWaalsContact OE1-CZ 3.25Å; E86-R90 IonicContact OE1-NE 3.73Å; E86-R90 PolarHBondContact OE1-NE 2.86Å; E86-R90 IonicContact OE1-NH2 2.7Å; E86-R90 PolarHBondContact OE1-NH2 3.06Å; L87-R90 PolarHBondContact O-N 2.88Å; H88-R90 PolarHBondContact O-N 3.39Å; R90-N92 VanDerWaalsContact C-N 3.25Å; R90-N92 VanDerWaalsContact CB-OD1 3.25Å; R90-N92 WeakPolarHBondContact CB-OD1 3.47Å
91G94.4Very high97Very high44 Ų4469.9 Ų69.945%0.45435%0.347SS..THydrogen-bonded Turntrans76.111.6-17300000113.7L87 H88 K89L87-G91 PolarHBondContact O-N 3.24Å; H88-G91 PolarHBondContact O-N 3.18Å; K89-G91 VanDerWaalsContact C-N 3.3Å
92N96.4Very high97Very high40 Ų4069.6 Ų69.621%0.21435%0.345CS..SBendtrans-90.1-6.2177.7-64.6121000113.3L42 L87 R90 I106L42-N92 HydrophobicContact CD1-CB 4.37Å; L42-N92 HydrophobicContact CD2-CB 3.94Å; L87-N92 HydrophobicContact CB-CB 4.47Å; L87-N92 HydrophobicContact CD2-CB 3.81Å; L87-N92 PolarHBondContact O-N 2.75Å; R90-N92 VanDerWaalsContact C-N 3.25Å; R90-N92 VanDerWaalsContact CB-OD1 3.25Å; R90-N92 WeakPolarHBondContact CB-OD1 3.47Å; N92-I106 WeakPolarHBondContact CA-O 3.45Å; N92-I106 PolarHBondContact ND2-O 3.28Å; N92-I106 PolarHBondContact O-N 3.42Å
93L97.4Very high97Very high3 Ų366.5 Ų66.52%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-138.6131.1175.5-176.2156.6000110L53 L84 L87 H88 W95 A103 R104 I105L53-L93 HydrophobicContact CD2-CD1 4.46Å; L84-L93 HydrophobicContact CB-CD1 4.25Å; L84-L93 HydrophobicContact CD2-CD1 3.61Å; L87-L93 HydrophobicContact CB-CB 3.74Å; L87-L93 HydrophobicContact CB-CD1 4.36Å; L87-L93 PolarHBondContact O-N 3.49Å; H88-L93 WeakPolarHBondContact CA-O 3.45Å; H88-L93 HydrophobicContact CB-CB 4.43Å; H88-L93 HydrophobicContact CB-CD2 4.11Å; H88-L93 PolarHBondContact ND1-O 3.12Å; L93-W95 HydrophobicContact CD2-CD2 3.67Å; L93-W95 HydrophobicContact CD2-CE3 4.13Å; L93-W95 HydrophobicContact CD2-CG 4.04Å; L93-W95 HydrophobicContact CD2-CH2 4.39Å; L93-W95 HydrophobicContact CD2-CZ2 3.95Å; L93-W95 HydrophobicContact CD2-CZ3 4.45Å; L93-A103 HydrophobicContact CD1-CB 4.03Å; L93-A103 HydrophobicContact CD2-CB 3.62Å; L93-A103 HydrophobicContact CG-CB 3.67Å; L93-R104 CarbonylContact C-O 3.58Å; L93-R104 VanDerWaalsContact CA-O 3.31Å; L93-R104 WeakPolarHBondContact CA-O 3.48Å; L93-I105 HydrophobicContact CB-CD1 4.01Å; L93-I105 HydrophobicContact CD1-CD1 3.74Å; L93-I105 HydrophobicContact CG-CD1 3.94Å
94E95.9Very high96.8Very high88 Ų8869.7 Ų69.741%0.41134%0.341SS..EExtended strand (participates in β ladder)trans-119.7118.6175.2177.7-176.2-152.700108.9L96 A103 R104 I106E94-L96 PolarHBondContact O-N 2.78Å; E94-A103 CarbonylContact O-C 3.55Å; E94-A103 WeakPolarHBondContact O-CA 3.29Å; E94-A103 WeakPolarHBondContact O-CB 3.5Å; E94-R104 HydrophobicContact CB-CB 4.33Å; E94-R104 PolarHBondContact N-O 3.45Å; E94-R104 PolarHBondContact O-N 3.37Å; E94-R104 IonicContact OE2-CZ 2.74Å; E94-R104 IonicContact OE2-NH1 3.25Å; E94-R104 PolarHBondContact OE2-NH1 2.87Å; E94-I106 HydrophobicContact CB-CD1 4.36Å
95W97.6Very high96.7Very high44 Ų4469.7 Ų69.717%0.16734%0.341CS..EExtended strand (participates in β ladder)trans-69.3130176.7-65.9113.7000110.8V55 L84 H88 L93 H100 A103V55-W95 HydrophobicContact CG2-CH2 3.88Å; V55-W95 HydrophobicContact CG2-CZ3 3.7Å; L84-W95 HydrophobicContact CB-CH2 4.24Å; L84-W95 HydrophobicContact CB-CZ2 4.15Å; L84-W95 HydrophobicContact CD1-CH2 4.07Å; H88-W95 AromaticContact CG-CD1 4Å; H88-W95 AromaticContact CG-NE1 3.91Å; H88-W95 AromaticContact ND1-CD1 3.9Å; L93-W95 HydrophobicContact CD2-CD2 3.67Å; L93-W95 HydrophobicContact CD2-CE3 4.13Å; L93-W95 HydrophobicContact CD2-CG 4.04Å; L93-W95 HydrophobicContact CD2-CH2 4.39Å; L93-W95 HydrophobicContact CD2-CZ2 3.95Å; L93-W95 HydrophobicContact CD2-CZ3 4.45Å; W95-H100 AromaticContact CD1-CD2 3.46Å; W95-H100 VanDerWaalsContact CD1-CD2 3.46Å; W95-H100 AromaticContact CD1-CG 3.99Å; W95-H100 AromaticContact CD1-NE2 3.51Å; W95-H100 HydrophobicContact CD2-CB 3.69Å; W95-H100 AromaticContact CD2-CD2 3.6Å; W95-H100 AromaticContact CD2-CG 3.67Å; W95-H100 AromaticContact CE2-CD2 3.9Å; W95-H100 AromaticContact CE2-CG 3.66Å; W95-H100 HydrophobicContact CE3-CB 3.66Å; W95-H100 HydrophobicContact CG-CB 4.38Å; W95-H100 AromaticContact CG-CD2 3.32Å; W95-H100 AromaticContact CG-CG 3.9Å; W95-H100 AromaticContact CG-NE2 3.84Å; W95-H100 HydrophobicContact CH2-CB 3.83Å; W95-H100 HydrophobicContact CZ2-CB 3.87Å; W95-H100 HydrophobicContact CZ3-CB 3.74Å; W95-H100 WeakPolarHBondContact CZ3-O 3.41Å; W95-H100 AromaticContact NE1-CD2 3.8Å; W95-H100 AromaticContact NE1-CE1 3.96Å; W95-H100 AromaticContact NE1-CG 3.85Å; W95-H100 AromaticContact NE1-ND1 3.95Å; W95-H100 AromaticContact NE1-NE2 3.89Å; W95-A103 HydrophobicContact CD2-CB 4.39Å; W95-A103 HydrophobicContact CE3-CB 3.7Å; W95-A103 HydrophobicContact CZ3-CB 3.96Å
96L95.9Very high96.6Very high89 Ų8967.3 Ų67.347%0.46633%0.325SS..SBendtrans-90.3-10.8180-60176.8000112.5T52 E94 N102 R104T52-L96 HydrophobicContact CG2-CD1 4.34Å; E94-L96 PolarHBondContact O-N 2.78Å; L96-N102 HydrophobicContact CB-CB 4.39Å; L96-N102 PolarHBondContact N-O 2.89Å; L96-R104 HydrophobicContact CD2-CB 4.15Å
97D96.5Very high96.4Very high36 Ų3666.6 Ų66.619%0.19332%0.32CS..SBendtrans-143.4155178.564.178.9000111.7S99 H100 T101 N102D97-S99 PolarHBondContact O-N 3.19Å; D97-S99 VanDerWaalsContact OD1-C 3.22Å; D97-S99 WeakPolarHBondContact OD1-CA 3.44Å; D97-S99 WeakPolarHBondContact OD1-CB 3.44Å; D97-S99 PolarHBondContact OD1-N 2.74Å; D97-S99 VanDerWaalsContact OD1-N 3.08Å; D97-S99 PolarHBondContact OD1-OG 2.94Å; D97-H100 PolarHBondContact O-N 3.4Å; D97-H100 PolarHBondContact OD1-N 2.8Å; D97-T101 PolarHBondContact OD1-N 3.25Å; D97-T101 PolarHBondContact OD1-OG1 3.12Å; D97-T101 VanDerWaalsContact OD1-OG1 3.08Å; D97-T101 PolarHBondContact OD2-N 2.92Å; D97-T101 PolarHBondContact OD2-OG1 2.81Å; D97-N102 WeakPolarHBondContact OD2-CA 3.45Å; D97-N102 WeakPolarHBondContact OD2-CB 3.26Å; D97-N102 PolarHBondContact OD2-N 2.54Å; D97-N102 PolarHBondContact OD2-ND2 2.68Å; D97-N102 VanDerWaalsContact OD2-ND2 3.12Å
98R95.2Very high96.2Very high251 Ų25170.5 Ų70.595%0.94734%0.335SS*.THydrogen-bonded Turntrans-67.7-19.5-178.8-63.8-175.7-177-178.60.9113.5H100R98-H100 VanDerWaalsContact C-N 3.28Å
99S96.1Very high95.9Very high85 Ų8568.6 Ų68.659%0.59433%0.33SS*.THydrogen-bonded Turntrans-85.1-0.3178.642.10000113.4D97 T101D97-S99 PolarHBondContact O-N 3.19Å; D97-S99 VanDerWaalsContact OD1-C 3.22Å; D97-S99 WeakPolarHBondContact OD1-CA 3.44Å; D97-S99 WeakPolarHBondContact OD1-CB 3.44Å; D97-S99 PolarHBondContact OD1-N 2.74Å; D97-S99 VanDerWaalsContact OD1-N 3.08Å; D97-S99 PolarHBondContact OD1-OG 2.94Å; S99-T101 VanDerWaalsContact C-N 3.28Å; S99-T101 PolarHBondContact O-N 2.74Å
100H96.7Very high95.7Very high100 Ų10062.9 Ų62.946%0.46331%0.31SS..SBendtrans52.743.6-176.9-60.4168.6000112.9V55 W95 D97 R98V55-H100 WeakPolarHBondContact CG2-O 3.3Å; W95-H100 AromaticContact CD1-CD2 3.46Å; W95-H100 VanDerWaalsContact CD1-CD2 3.46Å; W95-H100 AromaticContact CD1-CG 3.99Å; W95-H100 AromaticContact CD1-NE2 3.51Å; W95-H100 HydrophobicContact CD2-CB 3.69Å; W95-H100 AromaticContact CD2-CD2 3.6Å; W95-H100 AromaticContact CD2-CG 3.67Å; W95-H100 AromaticContact CE2-CD2 3.9Å; W95-H100 AromaticContact CE2-CG 3.66Å; W95-H100 HydrophobicContact CE3-CB 3.66Å; W95-H100 HydrophobicContact CG-CB 4.38Å; W95-H100 AromaticContact CG-CD2 3.32Å; W95-H100 AromaticContact CG-CG 3.9Å; W95-H100 AromaticContact CG-NE2 3.84Å; W95-H100 HydrophobicContact CH2-CB 3.83Å; W95-H100 HydrophobicContact CZ2-CB 3.87Å; W95-H100 HydrophobicContact CZ3-CB 3.74Å; W95-H100 WeakPolarHBondContact CZ3-O 3.41Å; W95-H100 AromaticContact NE1-CD2 3.8Å; W95-H100 AromaticContact NE1-CE1 3.96Å; W95-H100 AromaticContact NE1-CG 3.85Å; W95-H100 AromaticContact NE1-ND1 3.95Å; W95-H100 AromaticContact NE1-NE2 3.89Å; D97-H100 PolarHBondContact O-N 3.4Å; D97-H100 PolarHBondContact OD1-N 2.8Å; R98-H100 VanDerWaalsContact C-N 3.28Å
101T97.3Very high95.7Very high62 Ų6262.4 Ų62.438%0.3831%0.312SS..  trans-99.1-32.1-179.463.10000113.3S54 V55 D97 S99S54-T101 WeakPolarHBondContact CA-O 3.5Å; V55-T101 PolarHBondContact N-O 3.23Å; D97-T101 PolarHBondContact OD1-N 3.25Å; D97-T101 PolarHBondContact OD1-OG1 3.12Å; D97-T101 VanDerWaalsContact OD1-OG1 3.08Å; D97-T101 PolarHBondContact OD2-N 2.92Å; D97-T101 PolarHBondContact OD2-OG1 2.81Å; S99-T101 VanDerWaalsContact C-N 3.28Å; S99-T101 PolarHBondContact O-N 2.74Å
102N97.7Very high95.8Very high65 Ų6564.2 Ų64.235%0.34831%0.308SS..EExtended strand (participates in β ladder)trans-127.9143.4177.1-54.4-79.1000109.7L53 L96 D97L53-N102 VanDerWaalsContact O-CA 3.32Å; L53-N102 WeakPolarHBondContact O-CA 3.32Å; L96-N102 HydrophobicContact CB-CB 4.39Å; L96-N102 PolarHBondContact N-O 2.89Å; D97-N102 WeakPolarHBondContact OD2-CA 3.45Å; D97-N102 WeakPolarHBondContact OD2-CB 3.26Å; D97-N102 PolarHBondContact OD2-N 2.54Å; D97-N102 PolarHBondContact OD2-ND2 2.68Å; D97-N102 VanDerWaalsContact OD2-ND2 3.12Å
103A97.2Very high95.8Very high0 Ų062.6 Ų62.60%030%0.299CS..EExtended strand (participates in β ladder)trans-142.4155.6-179.200000111.6T52 L53 L93 E94 W95T52-A103 CarbonylContact C-O 3.59Å; T52-A103 VanDerWaalsContact CA-O 3.29Å; T52-A103 WeakPolarHBondContact CA-O 3.48Å; L53-A103 HydrophobicContact CD1-CB 3.96Å; L53-A103 HydrophobicContact CG-CB 4.15Å; L53-A103 PolarHBondContact N-O 2.96Å; L53-A103 PolarHBondContact O-N 3.39Å; L93-A103 HydrophobicContact CD1-CB 4.03Å; L93-A103 HydrophobicContact CD2-CB 3.62Å; L93-A103 HydrophobicContact CG-CB 3.67Å; E94-A103 CarbonylContact O-C 3.55Å; E94-A103 WeakPolarHBondContact O-CA 3.29Å; E94-A103 WeakPolarHBondContact O-CB 3.5Å; W95-A103 HydrophobicContact CD2-CB 4.39Å; W95-A103 HydrophobicContact CE3-CB 3.7Å; W95-A103 HydrophobicContact CZ3-CB 3.96Å
104R95Very high95.7Very high66 Ų6662.5 Ų62.525%0.24930%0.299CS..EExtended strand (participates in β ladder)trans-90.5135.7162.8178.6-177.2-71.7155.3-9.8109.1F51 L93 E94 L96 I106F51-R104 CarbonylContact O-C 3.38Å; F51-R104 VanDerWaalsContact O-CA 3.26Å; F51-R104 WeakPolarHBondContact O-CA 3.3Å; F51-R104 WeakPolarHBondContact O-CG 3.37Å; L93-R104 CarbonylContact C-O 3.58Å; L93-R104 VanDerWaalsContact CA-O 3.31Å; L93-R104 WeakPolarHBondContact CA-O 3.48Å; E94-R104 HydrophobicContact CB-CB 4.33Å; E94-R104 PolarHBondContact N-O 3.45Å; E94-R104 PolarHBondContact O-N 3.37Å; E94-R104 IonicContact OE2-CZ 2.74Å; E94-R104 IonicContact OE2-NH1 3.25Å; E94-R104 PolarHBondContact OE2-NH1 2.87Å; L96-R104 HydrophobicContact CD2-CB 4.15Å; R104-I106 HydrophobicContact CG-CG1 4.19Å
105I96.3Very high95.8Very high1 Ų161.6 Ų61.61%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-100.7135.5171.8-68.6-57.4000109.6L42 F45 F51 L53 L93 W107L42-I105 HydrophobicContact CD2-CG2 3.79Å; F45-I105 HydrophobicContact CB-CB 4.48Å; F45-I105 HydrophobicContact CB-CG2 4.03Å; F45-I105 HydrophobicContact CD2-CG1 4.02Å; F45-I105 HydrophobicContact CD2-CG2 4.43Å; F45-I105 HydrophobicContact CE2-CG1 4.32Å; F45-I105 HydrophobicContact CG-CB 4.46Å; F45-I105 HydrophobicContact CG-CG1 4.24Å; F45-I105 HydrophobicContact CG-CG2 4.37Å; F51-I105 PolarHBondContact O-N 3.35Å; L53-I105 HydrophobicContact CD2-CD1 3.5Å; L53-I105 HydrophobicContact CD2-CG1 3.49Å; L53-I105 VanDerWaalsContact CD2-CG1 3.49Å; L53-I105 HydrophobicContact CG-CD1 4.34Å; L53-I105 HydrophobicContact CG-CG1 4.07Å; L93-I105 HydrophobicContact CB-CD1 4.01Å; L93-I105 HydrophobicContact CD1-CD1 3.74Å; L93-I105 HydrophobicContact CG-CD1 3.94Å; I105-W107 HydrophobicContact CG2-CE3 3.93Å; I105-W107 HydrophobicContact CG2-CZ3 4.35Å
106I94.5Very high95.7Very high36 Ų3660.5 Ų60.519%0.18529%0.294CS..  trans-125.594-174.4-53.8169.4000108.1N92 E94 R104 R108N92-I106 WeakPolarHBondContact CA-O 3.45Å; N92-I106 PolarHBondContact ND2-O 3.28Å; N92-I106 PolarHBondContact O-N 3.42Å; E94-I106 HydrophobicContact CB-CD1 4.36Å; R104-I106 HydrophobicContact CG-CG1 4.19Å; I106-R108 VanDerWaalsContact CG2-O 3.32Å; I106-R108 WeakPolarHBondContact CG2-O 3.28Å
107W94.6Very high95.7Very high33 Ų3356.3 Ų56.313%0.12527%0.272CS..SBendtrans-89.5-16.3171.162.187.4000113.2L42 F45 Q46 Q50 F51 I105 W113L42-W107 HydrophobicContact CB-CB 4.24Å; L42-W107 HydrophobicContact CD2-CB 4.13Å; F45-W107 HydrophobicContact CB-CE3 4.36Å; F45-W107 HydrophobicContact CB-CZ3 4.08Å; Q46-W107 HydrophobicContact CB-CD2 3.92Å; Q46-W107 HydrophobicContact CB-CE3 4.45Å; Q46-W107 HydrophobicContact CB-CG 3.97Å; Q46-W107 HydrophobicContact CB-CZ2 4.46Å; Q46-W107 HydrophobicContact CG-CD2 4.4Å; Q46-W107 HydrophobicContact CG-CG 4.27Å; Q50-W107 VanDerWaalsContact O-CZ3 3.28Å; Q50-W107 WeakPolarHBondContact O-CZ3 3.21Å; F51-W107 HydrophobicContact CD1-CE3 4.45Å; F51-W107 AromaticContact CD1-CH2 3.24Å; F51-W107 HydrophobicContact CD1-CH2 3.24Å; F51-W107 AromaticContact CD1-CZ2 3.74Å; F51-W107 HydrophobicContact CD1-CZ2 3.74Å; F51-W107 AromaticContact CD1-CZ3 3.64Å; F51-W107 HydrophobicContact CD1-CZ3 3.64Å; F51-W107 AromaticContact CD2-CH2 3.82Å; F51-W107 HydrophobicContact CD2-CH2 3.82Å; F51-W107 HydrophobicContact CD2-CZ2 4.47Å; F51-W107 HydrophobicContact CE1-CD2 4.47Å; F51-W107 AromaticContact CE1-CE2 3.75Å; F51-W107 HydrophobicContact CE1-CE3 4.49Å; F51-W107 AromaticContact CE1-CH2 3.08Å; F51-W107 HydrophobicContact CE1-CH2 3.08Å; F51-W107 AromaticContact CE1-CZ2 3.04Å; F51-W107 HydrophobicContact CE1-CZ2 3.04Å; F51-W107 AromaticContact CE1-CZ3 3.85Å; F51-W107 HydrophobicContact CE1-CZ3 3.85Å; F51-W107 AromaticContact CE2-CH2 3.63Å; F51-W107 HydrophobicContact CE2-CH2 3.63Å; F51-W107 AromaticContact CE2-CZ2 3.85Å; F51-W107 HydrophobicContact CE2-CZ2 3.85Å; F51-W107 AromaticContact CG-CH2 3.62Å; F51-W107 HydrophobicContact CG-CH2 3.62Å; F51-W107 HydrophobicContact CG-CZ2 4.41Å; F51-W107 HydrophobicContact CG-CZ3 4.1Å; F51-W107 AromaticContact CZ-CH2 3.24Å; F51-W107 HydrophobicContact CZ-CH2 3.24Å; F51-W107 AromaticContact CZ-CZ2 3.06Å; F51-W107 HydrophobicContact CZ-CZ2 3.06Å; F51-W107 HydrophobicContact CZ-CZ3 4.39Å; I105-W107 HydrophobicContact CG2-CE3 3.93Å; I105-W107 HydrophobicContact CG2-CZ3 4.35Å; W107-W113 HydrophobicContact CZ2-CZ2 4.38Å; W107-W113 AromaticContact NE1-CH2 3.88Å; W107-W113 AromaticContact NE1-CZ2 3.36Å
108R94.1Very high95.7Very high82 Ų8254.6 Ų54.631%0.30926%0.263SS..SBendtrans-142.6138169.2-76.8179.6-170.7-80.90.7108.5I106 E112 W113I106-R108 VanDerWaalsContact CG2-O 3.32Å; I106-R108 WeakPolarHBondContact CG2-O 3.28Å; R108-E112 WeakPolarHBondContact CA-OE2 3.11Å; R108-E112 HydrophobicContact CB-CB 4.27Å; R108-W113 HydrophobicContact CB-CD2 4.14Å; R108-W113 HydrophobicContact CB-CG 4.39Å; R108-W113 HydrophobicContact CB-CZ2 4Å; R108-W113 HydrophobicContact CG-CZ2 4.43Å; R108-W113 PolarHBondContact O-NE1 3.31Å
109T92Very high95.6Very high53 Ų5349.4 Ų49.433%0.32524%0.244SC..  trans-69.4157.3175.557.60000111.3E111 E112 W113T109-E111 PolarHBondContact O-N 2.95Å; T109-E112 PolarHBondContact N-OE2 3Å; T109-E112 PolarHBondContact O-N 3.18Å; T109-E112 VanDerWaalsContact O-N 3.15Å; T109-E112 WeakPolarHBondContact OG1-CB 3.44Å; T109-E112 VanDerWaalsContact OG1-CG 3.23Å; T109-E112 WeakPolarHBondContact OG1-CG 3.2Å; T109-E112 PolarHBondContact OG1-N 3.43Å; T109-E112 VanDerWaalsContact OG1-N 3.12Å; T109-E112 PolarHBondContact OG1-OE2 3Å; T109-W113 PolarHBondContact O-N 3.2Å
110P93Very high95.6Very high42 Ų4245.7 Ų45.727%0.27322%0.216SC..Hα-helixtrans-52.6-35.7170.1-27.136.5000112.9W113 A114 N157 V161P110-W113 PolarHBondContact O-N 2.85Å; P110-A114 VanDerWaalsContact O-CB 3.3Å; P110-A114 WeakPolarHBondContact O-CB 3.4Å; P110-A114 PolarHBondContact O-N 3.37Å; P110-N157 HydrophobicContact CB-CB 4.19Å; P110-N157 HydrophobicContact CG-CB 4.25Å; P110-V161 HydrophobicContact CB-CG2 3.97Å
111E95.6Very high95.4Very high90 Ų9040.9 Ų40.942%0.42119%0.194SC..Hα-helixtrans-64.9-44.8176.2-68.772.8-165.700112.6T109 W113 A114 D115 V161T109-E111 PolarHBondContact O-N 2.95Å; E111-W113 VanDerWaalsContact C-N 3.33Å; E111-A114 WeakPolarHBondContact O-CB 3.3Å; E111-A114 PolarHBondContact O-N 3.33Å; E111-D115 VanDerWaalsContact O-CG 3.28Å; E111-D115 PolarHBondContact O-N 2.76Å; E111-V161 HydrophobicContact CG-CG1 4.19Å
112E96.1Very high95.2Very high83 Ų8343 Ų4339%0.38820%0.195SC..Hα-helixtrans-66.2-37.4176.1-73.7168.4124.200111.7R108 T109 D115 L116R108-E112 WeakPolarHBondContact CA-OE2 3.11Å; R108-E112 HydrophobicContact CB-CB 4.27Å; T109-E112 PolarHBondContact N-OE2 3Å; T109-E112 PolarHBondContact O-N 3.18Å; T109-E112 VanDerWaalsContact O-N 3.15Å; T109-E112 WeakPolarHBondContact OG1-CB 3.44Å; T109-E112 VanDerWaalsContact OG1-CG 3.23Å; T109-E112 WeakPolarHBondContact OG1-CG 3.2Å; T109-E112 PolarHBondContact OG1-N 3.43Å; T109-E112 VanDerWaalsContact OG1-N 3.12Å; T109-E112 PolarHBondContact OG1-OE2 3Å; E112-D115 PolarHBondContact O-N 2.71Å; E112-L116 WeakPolarHBondContact O-CG 3.33Å; E112-L116 PolarHBondContact O-N 2.53Å; E112-L116 VanDerWaalsContact O-N 3.13Å
113W96.6Very high94.9Very high6 Ų644 Ų442%0.02321%0.207CC..Hα-helixtrans-64.2-44.3172.7-74124.9000111.8F51 W107 R108 T109 P110 E111 D115 L116 I117 A146 F147 L150 A158F51-W113 HydrophobicContact CE1-CZ2 4.23Å; F51-W113 HydrophobicContact CZ-CZ2 4.37Å; W107-W113 HydrophobicContact CZ2-CZ2 4.38Å; W107-W113 AromaticContact NE1-CH2 3.88Å; W107-W113 AromaticContact NE1-CZ2 3.36Å; R108-W113 HydrophobicContact CB-CD2 4.14Å; R108-W113 HydrophobicContact CB-CG 4.39Å; R108-W113 HydrophobicContact CB-CZ2 4Å; R108-W113 HydrophobicContact CG-CZ2 4.43Å; R108-W113 PolarHBondContact O-NE1 3.31Å; T109-W113 PolarHBondContact O-N 3.2Å; P110-W113 PolarHBondContact O-N 2.85Å; E111-W113 VanDerWaalsContact C-N 3.33Å; W113-D115 VanDerWaalsContact C-N 3.29Å; W113-D115 PolarHBondContact O-N 2.75Å; W113-L116 HydrophobicContact CE3-CD1 3.75Å; W113-L116 HydrophobicContact CZ3-CD1 3.9Å; W113-L116 PolarHBondContact O-N 3.04Å; W113-I117 WeakPolarHBondContact O-CG1 3.43Å; W113-I117 PolarHBondContact O-N 3.02Å; W113-A146 WeakPolarHBondContact CH2-O 3.44Å; W113-A146 HydrophobicContact CZ3-CB 4.09Å; W113-A146 WeakPolarHBondContact CZ3-O 3.31Å; W113-F147 HydrophobicContact CE3-CB 3.9Å; W113-F147 HydrophobicContact CZ3-CB 3.83Å; W113-L150 HydrophobicContact CD2-CD1 4.38Å; W113-L150 HydrophobicContact CD2-CD2 4.36Å; W113-L150 HydrophobicContact CE3-CD2 4.49Å; W113-L150 HydrophobicContact CH2-CD1 4.37Å; W113-L150 HydrophobicContact CZ2-CD1 3.95Å; W113-A158 HydrophobicContact CB-CB 3.52Å
114A97Very high94.5Very high0 Ų047 Ų470%023%0.225CC..Hα-helixtrans-56.7-45.2175.600000111.1P110 E111 L116 I117 A118 A158 V161 L162P110-A114 VanDerWaalsContact O-CB 3.3Å; P110-A114 WeakPolarHBondContact O-CB 3.4Å; P110-A114 PolarHBondContact O-N 3.37Å; E111-A114 WeakPolarHBondContact O-CB 3.3Å; E111-A114 PolarHBondContact O-N 3.33Å; A114-L116 VanDerWaalsContact C-N 3.33Å; A114-L116 PolarHBondContact O-N 3.13Å; A114-I117 PolarHBondContact O-N 3.07Å; A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.33Å; A114-A118 PolarHBondContact O-N 3.31Å; A114-A158 WeakPolarHBondContact CB-O 3.46Å; A114-V161 HydrophobicContact CB-CB 3.93Å; A114-V161 HydrophobicContact CB-CG1 3.79Å; A114-L162 HydrophobicContact CB-CD2 3.77Å; A114-L162 HydrophobicContact CB-CG 3.81Å
115D96.8Very high94.1Very high69 Ų6946.5 Ų46.537%0.36924%0.241SC..Hα-helixtrans-63.1-37.9178.5-69.8-18.4000112.8E111 E112 W113 R119 R165E111-D115 VanDerWaalsContact O-CG 3.28Å; E111-D115 PolarHBondContact O-N 2.76Å; E112-D115 PolarHBondContact O-N 2.71Å; W113-D115 VanDerWaalsContact C-N 3.29Å; W113-D115 PolarHBondContact O-N 2.75Å; D115-R119 VanDerWaalsContact O-CB 3.26Å; D115-R119 WeakPolarHBondContact O-CB 3.26Å; D115-R119 PolarHBondContact O-N 3.09Å; D115-R119 VanDerWaalsContact O-N 3.07Å; D115-R165 IonicContact OD1-CZ 2.83Å; D115-R165 IonicContact OD1-NH1 3.73Å; D115-R165 PolarHBondContact OD1-NH1 3.47Å; D115-R165 IonicContact OD1-NH2 2.83Å
116L96.4Very high93.3Very high22 Ų2248.7 Ų48.712%0.11525%0.251CS..Hα-helixtrans-66.5-48.8175.2-71.4170.1000111.4E112 W113 A114 A118 R119 W120 A146 F147E112-L116 WeakPolarHBondContact O-CG 3.33Å; E112-L116 PolarHBondContact O-N 2.53Å; E112-L116 VanDerWaalsContact O-N 3.13Å; W113-L116 HydrophobicContact CE3-CD1 3.75Å; W113-L116 HydrophobicContact CZ3-CD1 3.9Å; W113-L116 PolarHBondContact O-N 3.04Å; A114-L116 VanDerWaalsContact C-N 3.33Å; A114-L116 PolarHBondContact O-N 3.13Å; L116-A118 PolarHBondContact O-N 3.23Å; L116-R119 WeakPolarHBondContact O-CB 3.38Å; L116-R119 PolarHBondContact O-N 3.12Å; L116-W120 PolarHBondContact O-N 2.99Å; L116-A146 HydrophobicContact CD1-CB 4.22Å; L116-F147 HydrophobicContact CB-CD1 4.06Å; L116-F147 HydrophobicContact CB-CE1 4.46Å
117I95.8Very high92.4Very high0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-62.8-45.6-179.7-65.9163.5000110.7W113 A114 R119 W120 A121 F147 L155 A158 I159 L162 F178W113-I117 WeakPolarHBondContact O-CG1 3.43Å; W113-I117 PolarHBondContact O-N 3.02Å; A114-I117 PolarHBondContact O-N 3.07Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 3.32Å; I117-W120 PolarHBondContact O-N 3.12Å; I117-A121 PolarHBondContact O-N 3.45Å; I117-F147 HydrophobicContact CG1-CB 4.37Å; I117-F147 HydrophobicContact CG1-CD1 3.77Å; I117-F147 HydrophobicContact CG1-CD2 4.27Å; I117-F147 HydrophobicContact CG1-CE1 4.1Å; I117-F147 HydrophobicContact CG1-CG 3.87Å; I117-F147 HydrophobicContact CG1-CZ 4.49Å; I117-L155 HydrophobicContact CD1-CD1 3.57Å; I117-A158 HydrophobicContact CD1-CB 3.86Å; I117-I159 HydrophobicContact CD1-CD1 3.99Å; I117-I159 HydrophobicContact CG2-CD1 3.87Å; I117-L162 HydrophobicContact CB-CD1 4.36Å; I117-L162 HydrophobicContact CG2-CD1 4.09Å; I117-F178 HydrophobicContact CG2-CE1 3.54Å; I117-F178 HydrophobicContact CG2-CZ 3.57Å
118A95Very high91.9Very high1 Ų153 Ų531%0.00828%0.281CS..Hα-helixtrans-64.9-34.5178.400000112.2A114 L116 R122 L162A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.33Å; A114-A118 PolarHBondContact O-N 3.31Å; L116-A118 PolarHBondContact O-N 3.23Å; A118-R122 PolarHBondContact O-N 3.1Å; A118-R122 PolarHBondContact O-NH1 3.03Å; A118-L162 HydrophobicContact CB-CD1 4.33Å; A118-L162 HydrophobicContact CB-CD2 3.74Å
119R94.8Very high91.6Very high142 Ų14250.7 Ų50.754%0.53628%0.277SS..Hα-helixtrans-66.4-44.9174.7-172.4-174.2-53.7142.89.1111.1D115 L116 I117 R122 S123D115-R119 VanDerWaalsContact O-CB 3.26Å; D115-R119 WeakPolarHBondContact O-CB 3.26Å; D115-R119 PolarHBondContact O-N 3.09Å; D115-R119 VanDerWaalsContact O-N 3.07Å; L116-R119 WeakPolarHBondContact O-CB 3.38Å; L116-R119 PolarHBondContact O-N 3.12Å; I117-R119 VanDerWaalsContact C-N 3.29Å; I117-R119 PolarHBondContact O-N 3.32Å; R119-R122 PolarHBondContact O-N 3.49Å; R119-S123 WeakPolarHBondContact O-CB 3.43Å; R119-S123 PolarHBondContact O-N 3.15Å; R119-S123 PolarHBondContact O-OG 3.05Å
120W95Very high91.6Very high6 Ų652 Ų522%0.02329%0.285CS..Hα-helixtrans-57.5-53.1174.9170.284.6000110.8L116 I117 R122 S123 T124 H126 L136 D141 T142 E145 F147 F178L116-W120 PolarHBondContact O-N 2.99Å; I117-W120 PolarHBondContact O-N 3.12Å; W120-R122 VanDerWaalsContact C-N 3.28Å; W120-R122 PolarHBondContact O-N 2.86Å; W120-S123 WeakPolarHBondContact CA-OG 3.41Å; W120-S123 WeakPolarHBondContact O-CA 3.04Å; W120-S123 PolarHBondContact O-N 3.3Å; W120-S123 PolarHBondContact O-OG 3.43Å; W120-T124 HydrophobicContact CG-CG2 4.44Å; W120-T124 PolarHBondContact O-N 3.44Å; W120-T124 PolarHBondContact O-OG1 2.83Å; W120-H126 AromaticContact CH2-CD2 3.18Å; W120-H126 WeakPolarHBondContact CH2-CD2 3.38Å; W120-H126 AromaticContact CH2-NE2 3.73Å; W120-H126 AromaticContact CZ2-CD2 3.52Å; W120-H126 AromaticContact CZ2-NE2 3.86Å; W120-H126 HydrophobicContact CZ3-CB 4.43Å; W120-H126 AromaticContact CZ3-CD2 3.74Å; W120-L136 HydrophobicContact CE3-CD2 3.92Å; W120-L136 HydrophobicContact CH2-CD2 3.71Å; W120-L136 HydrophobicContact CZ3-CD2 3.31Å; W120-D141 HydrophobicContact CZ2-CB 4.45Å; W120-T142 HydrophobicContact CH2-CG2 4.34Å; W120-T142 HydrophobicContact CZ2-CG2 3.62Å; W120-E145 VanDerWaalsContact CD1-CG 3.47Å; W120-E145 HydrophobicContact CG-CG 4.16Å; W120-F147 HydrophobicContact CB-CE1 3.78Å; W120-F147 HydrophobicContact CB-CZ 3.57Å; W120-F147 AromaticContact CD2-CZ 3.88Å; W120-F147 HydrophobicContact CD2-CZ 3.88Å; W120-F147 HydrophobicContact CE3-CZ 4.34Å; W120-F147 HydrophobicContact CG-CE1 4.24Å; W120-F147 AromaticContact CG-CZ 3.54Å; W120-F147 HydrophobicContact CG-CZ 3.54Å; W120-F178 HydrophobicContact CZ3-CE2 4.32Å
121A93.6Very high91.5Very high0 Ų050.2 Ų50.20%027%0.273CS..Hα-helixtrans-56.3-41.1-177.400000112.7I117 G125 H126 S127 F178I117-A121 PolarHBondContact O-N 3.45Å; A121-G125 PolarHBondContact O-N 3.14Å; A121-H126 HydrophobicContact CB-CB 4.35Å; A121-H126 PolarHBondContact O-N 3.44Å; A121-S127 PolarHBondContact O-N 3.4Å; A121-F178 HydrophobicContact CB-CB 4.29Å; A121-F178 HydrophobicContact CB-CD1 3.99Å; A121-F178 HydrophobicContact CB-CD2 4.17Å; A121-F178 HydrophobicContact CB-CE1 4.38Å; A121-F178 HydrophobicContact CB-CG 3.88Å
122R92.2Very high91.5Very high106 Ų10648.6 Ų48.640%0.427%0.269SS..Hα-helixtrans-65-42.7172.8-78.1-171.7-66.3-79.9-0.6113.1A118 R119 W120 C180A118-R122 PolarHBondContact O-N 3.1Å; A118-R122 PolarHBondContact O-NH1 3.03Å; R119-R122 PolarHBondContact O-N 3.49Å; W120-R122 VanDerWaalsContact C-N 3.28Å; W120-R122 PolarHBondContact O-N 2.86Å; R122-C180 WeakPolarHBondContact CD-OXT 3.05Å; R122-C180 HydrophobicContact CG-CB 4.49Å; R122-C180 WeakPolarHBondContact CG-OXT 3.38Å
123S91.2Very high91.4Very high86 Ų8644.9 Ų44.960%0.60125%0.252SS*.Hα-helixtrans-73-27.2-174.267.10000113.9R119 W120R119-S123 WeakPolarHBondContact O-CB 3.43Å; R119-S123 PolarHBondContact O-N 3.15Å; R119-S123 PolarHBondContact O-OG 3.05Å; W120-S123 WeakPolarHBondContact CA-OG 3.41Å; W120-S123 WeakPolarHBondContact O-CA 3.04Å; W120-S123 PolarHBondContact O-N 3.3Å; W120-S123 PolarHBondContact O-OG 3.43Å
124T89.8Confident91.3Very high62 Ų6252.1 Ų52.138%0.3828%0.281SS..Hα-helixtrans-98.6-2.5-178.452.60000113.5W120 H126W120-T124 HydrophobicContact CG-CG2 4.44Å; W120-T124 PolarHBondContact O-N 3.44Å; W120-T124 PolarHBondContact O-OG1 2.83Å; T124-H126 PolarHBondContact OG1-CD2 3.14Å
125G84.7Confident91.1Very high56 Ų5656.7 Ų56.758%0.57730%0.302SS*.THydrogen-bonded Turntrans79.517.1-179.200000114.1A121 S127A121-G125 PolarHBondContact O-N 3.14Å; G125-S127 PolarHBondContact O-N 2.86Å
126H80Confident91Very high47 Ų4753.4 Ų53.422%0.21828%0.284CS..  trans-795.1171.3-70.5-52.3000113.7W120 A121 T124 N128 S129W120-H126 AromaticContact CH2-CD2 3.18Å; W120-H126 WeakPolarHBondContact CH2-CD2 3.38Å; W120-H126 AromaticContact CH2-NE2 3.73Å; W120-H126 AromaticContact CZ2-CD2 3.52Å; W120-H126 AromaticContact CZ2-NE2 3.86Å; W120-H126 HydrophobicContact CZ3-CB 4.43Å; W120-H126 AromaticContact CZ3-CD2 3.74Å; A121-H126 HydrophobicContact CB-CB 4.35Å; A121-H126 PolarHBondContact O-N 3.44Å; T124-H126 PolarHBondContact OG1-CD2 3.14Å; H126-N128 PolarHBondContact O-N 3.45Å; H126-N128 VanDerWaalsContact O-N 3.11Å; H126-S129 WeakPolarHBondContact CA-OG 3.48Å; H126-S129 WeakPolarHBondContact CB-OG 3.32Å; H126-S129 PolarHBondContact ND1-OG 3.02Å; H126-S129 PolarHBondContact O-N 2.86Å; H126-S129 PolarHBondContact O-OG 3.49Å; H126-S129 VanDerWaalsContact O-OG 3.05Å
127S76.5Confident90.9Very high43 Ų4352.5 Ų52.530%0.30128%0.279SS..THydrogen-bonded Turntrans-54113.4164.8-62.10000110.1A121 G125 C180A121-S127 PolarHBondContact O-N 3.4Å; G125-S127 PolarHBondContact O-N 2.86Å; S127-C180 WeakPolarHBondContact CB-O 3.47Å; S127-C180 PolarHBondContact OG-O 3.01Å
128N82.7Confident90.8Very high118 Ų11856.3 Ų56.363%0.63130%0.3SS*.THydrogen-bonded Turntrans7415.5-174-52-58.4000116.6H126 F178H126-N128 PolarHBondContact O-N 3.45Å; H126-N128 VanDerWaalsContact O-N 3.11Å; N128-F178 WeakPolarHBondContact CA-O 3.25Å; N128-F178 PolarHBondContact N-O 3.43Å
129S88.2Confident90.7Very high32 Ų3257 Ų5722%0.22431%0.307CS..  trans-101.3160.7168.2710000112.3H126 F178H126-S129 WeakPolarHBondContact CA-OG 3.48Å; H126-S129 WeakPolarHBondContact CB-OG 3.32Å; H126-S129 PolarHBondContact ND1-OG 3.02Å; H126-S129 PolarHBondContact O-N 2.86Å; H126-S129 PolarHBondContact O-OG 3.49Å; H126-S129 VanDerWaalsContact O-OG 3.05Å; S129-F178 PolarHBondContact O-N 2.76Å
130V91.6Very high90.6Very high82 Ų8255.9 Ų55.950%0.49731%0.312SS..EExtended strand (participates in β ladder)trans-93.1134.6168.7179.20000107.8M171 V176 K177V130-M171 HydrophobicContact CB-SD 4.48Å; V130-M171 HydrophobicContact CG1-SD 3.81Å; V130-M171 HydrophobicContact CG2-CE 4.48Å; V130-M171 HydrophobicContact CG2-SD 3.81Å; V130-V176 CarbonylContact C-O 3.51Å; V130-V176 WeakPolarHBondContact CA-O 3.21Å; V130-K177 HydrophobicContact CG2-CB 4.23Å; V130-K177 HydrophobicContact CG2-CD 4.41Å; V130-K177 HydrophobicContact CG2-CG 4.2Å
131C92.2Very high90.4Very high4 Ų461.6 Ų61.63%0.02734%0.342CS..EExtended strand (participates in β ladder)trans-125.5151.4169.3-59.40000108.4E135 L136 G175 V176 F178C131-E135 WeakPolarHBondContact CA-OE2 3.21Å; C131-L136 HydrophobicContact CB-CG 4.5Å; C131-G175 CarbonylContact O-C 3.59Å; C131-V176 HydrophobicContact CB-CG1 4.32Å; C131-V176 PolarHBondContact N-O 3.22Å; C131-V176 WeakPolarHBondContact O-CG1 3.35Å; C131-V176 PolarHBondContact O-N 3.09Å; C131-V176 VanDerWaalsContact O-O 3.11Å; C131-F178 HydrophobicContact CB-CE2 4.17Å
132T94.2Very high90.4Very high55 Ų5561.6 Ų61.634%0.33734%0.343SS..EExtended strand (participates in β ladder)trans-86.7158.1168.960.30000110.1Y134 E135 L136 E174T132-Y134 PolarHBondContact O-N 3.5Å; T132-E135 PolarHBondContact N-OE2 3.04Å; T132-E135 PolarHBondContact O-N 3.29Å; T132-E135 VanDerWaalsContact OG1-CG 3.27Å; T132-E135 WeakPolarHBondContact OG1-CG 3.4Å; T132-E135 PolarHBondContact OG1-N 2.91Å; T132-E135 VanDerWaalsContact OG1-N 3.09Å; T132-E135 PolarHBondContact OG1-OE2 2.91Å; T132-L136 PolarHBondContact O-N 3.29Å; T132-E174 CarbonylContact C-O 3.58Å
133F95.9Very high90.4Very high6 Ų662.1 Ų62.13%0.02635%0.348CS..Hα-helixtrans-59.9-36.3172-75.313.7000110.9E135 L136 T137 I152 L155 T156 I159 I170 E174 V176F133-E135 PolarHBondContact O-N 3.16Å; F133-L136 WeakPolarHBondContact O-CB 3.19Å; F133-L136 PolarHBondContact O-N 3.43Å; F133-L136 VanDerWaalsContact O-N 3.1Å; F133-T137 PolarHBondContact O-N 2.9Å; F133-T137 PolarHBondContact O-OG1 3.24Å; F133-I152 HydrophobicContact CB-CD1 4.13Å; F133-I152 HydrophobicContact CD2-CD1 4.38Å; F133-I152 HydrophobicContact CD2-CG2 3.97Å; F133-I152 HydrophobicContact CE2-CG2 4.36Å; F133-L155 HydrophobicContact CB-CD2 3.73Å; F133-L155 HydrophobicContact CD1-CD2 4.01Å; F133-L155 HydrophobicContact CD2-CD2 3.89Å; F133-L155 HydrophobicContact CE2-CD2 4.5Å; F133-L155 HydrophobicContact CG-CD2 3.6Å; F133-T156 WeakPolarHBondContact CE2-OG1 3.39Å; F133-I159 HydrophobicContact CE1-CG1 4.42Å; F133-I170 HydrophobicContact CZ-CG2 4.42Å; F133-E174 HydrophobicContact CB-CB 4.01Å; F133-E174 HydrophobicContact CD1-CB 4.45Å; F133-E174 WeakPolarHBondContact CD1-O 3.13Å; F133-E174 HydrophobicContact CD2-CB 3.83Å; F133-E174 HydrophobicContact CD2-CG 4.23Å; F133-E174 HydrophobicContact CE2-CB 4.43Å; F133-E174 HydrophobicContact CG-CB 3.86Å; F133-E174 WeakPolarHBondContact CG-O 3.44Å; F133-E174 PolarHBondContact N-O 2.97Å; F133-V176 HydrophobicContact CD1-CG1 4.38Å; F133-V176 HydrophobicContact CE1-CB 4.18Å; F133-V176 HydrophobicContact CE1-CG1 4.37Å
134Y93.9Very high90.4Very high158 Ų15866.7 Ų66.762%0.6236%0.359SS*.Hα-helixtrans-58.5-44.5173.8-177.8-95.8000112.7T132 L136 T137 D138 G139T132-Y134 PolarHBondContact O-N 3.5Å; Y134-L136 PolarHBondContact O-N 3.16Å; Y134-T137 PolarHBondContact O-N 3.13Å; Y134-D138 HydrophobicContact CD2-CB 3.94Å; Y134-D138 HydrophobicContact CE1-CB 4.41Å; Y134-D138 HydrophobicContact CE2-CB 3.63Å; Y134-D138 HydrophobicContact CG-CB 4.45Å; Y134-D138 CarbonylContact O-C 3.56Å; Y134-D138 WeakPolarHBondContact O-CA 3.41Å; Y134-D138 WeakPolarHBondContact O-CB 3.46Å; Y134-D138 PolarHBondContact O-N 3.18Å; Y134-G139 PolarHBondContact O-N 3.5Å
135E93.5Very high90.6Very high95 Ų9566.7 Ų66.744%0.44436%0.355SS..Hα-helixtrans-62.9-34.2175.7-74.7164.6139.700111.9C131 T132 F133 G139 T142C131-E135 WeakPolarHBondContact CA-OE2 3.21Å; T132-E135 PolarHBondContact N-OE2 3.04Å; T132-E135 PolarHBondContact O-N 3.29Å; T132-E135 VanDerWaalsContact OG1-CG 3.27Å; T132-E135 WeakPolarHBondContact OG1-CG 3.4Å; T132-E135 PolarHBondContact OG1-N 2.91Å; T132-E135 VanDerWaalsContact OG1-N 3.09Å; T132-E135 PolarHBondContact OG1-OE2 2.91Å; F133-E135 PolarHBondContact O-N 3.16Å; E135-G139 VanDerWaalsContact O-CA 3.25Å; E135-G139 WeakPolarHBondContact O-CA 3.46Å; E135-G139 PolarHBondContact O-N 3.44Å; E135-G139 VanDerWaalsContact O-N 3.14Å; E135-T142 WeakPolarHBondContact O-CG2 3.41Å
136L94.5Very high91Very high0 Ų066.4 Ų66.40%035%0.347CS..Hα-helixtrans-72.1-41.4177.4-66.1173.9000112.7W120 C131 T132 F133 Y134 T142 L155 I159 V176 F178W120-L136 HydrophobicContact CE3-CD2 3.92Å; W120-L136 HydrophobicContact CH2-CD2 3.71Å; W120-L136 HydrophobicContact CZ3-CD2 3.31Å; C131-L136 HydrophobicContact CB-CG 4.5Å; T132-L136 PolarHBondContact O-N 3.29Å; F133-L136 WeakPolarHBondContact O-CB 3.19Å; F133-L136 PolarHBondContact O-N 3.43Å; F133-L136 VanDerWaalsContact O-N 3.1Å; Y134-L136 PolarHBondContact O-N 3.16Å; L136-T142 WeakPolarHBondContact O-CB 3.49Å; L136-T142 WeakPolarHBondContact O-CG2 3.41Å; L136-T142 PolarHBondContact O-OG1 3.32Å; L136-L155 HydrophobicContact CB-CD2 4.31Å; L136-L155 HydrophobicContact CD1-CD1 4.21Å; L136-L155 HydrophobicContact CD1-CD2 4.35Å; L136-I159 HydrophobicContact CD1-CD1 4.43Å; L136-V176 HydrophobicContact CD1-CG1 3.66Å; L136-F178 HydrophobicContact CD1-CE2 4.39Å; L136-F178 HydrophobicContact CD1-CZ 4.04Å; L136-F178 HydrophobicContact CD2-CE2 4.23Å; L136-F178 HydrophobicContact CD2-CZ 4.19Å
137T94.4Very high91.6Very high3 Ų364.2 Ų64.22%0.01834%0.337CS..Hα-helixtrans-90.6-32.1-174.655.20000113.2F133 Y134 H148 G149 L150 I152 L155F133-T137 PolarHBondContact O-N 2.9Å; F133-T137 PolarHBondContact O-OG1 3.24Å; Y134-T137 PolarHBondContact O-N 3.13Å; T137-H148 PolarHBondContact O-CE1 3.38Å; T137-H148 PolarHBondContact O-ND1 3.24Å; T137-H148 VanDerWaalsContact O-ND1 3.14Å; T137-G149 WeakPolarHBondContact O-CA 3.19Å; T137-G149 PolarHBondContact O-N 2.98Å; T137-L150 HydrophobicContact CG2-CB 4.39Å; T137-L150 WeakPolarHBondContact CG2-O 3.4Å; T137-I152 HydrophobicContact CG2-CD1 4.16Å; T137-L155 HydrophobicContact CG2-CD2 3.77Å
138D93.7Very high92.4Very high81 Ų8163.8 Ų63.843%0.43333%0.331SS..Hα-helixtrans-129.8-1.4-169.1-62.7-86.5000112.9Y134Y134-D138 HydrophobicContact CD2-CB 3.94Å; Y134-D138 HydrophobicContact CE1-CB 4.41Å; Y134-D138 HydrophobicContact CE2-CB 3.63Å; Y134-D138 HydrophobicContact CG-CB 4.45Å; Y134-D138 CarbonylContact O-C 3.56Å; Y134-D138 WeakPolarHBondContact O-CA 3.41Å; Y134-D138 WeakPolarHBondContact O-CB 3.46Å; Y134-D138 PolarHBondContact O-N 3.18Å
139G92.6Very high92.8Very high14 Ų1459.5 Ų59.514%0.14431%0.314CS..  trans-66153.6177.600000114.1Y134 E135 D141 T142 H148Y134-G139 PolarHBondContact O-N 3.5Å; E135-G139 VanDerWaalsContact O-CA 3.25Å; E135-G139 WeakPolarHBondContact O-CA 3.46Å; E135-G139 PolarHBondContact O-N 3.44Å; E135-G139 VanDerWaalsContact O-N 3.14Å; G139-D141 VanDerWaalsContact C-N 3.31Å; G139-D141 PolarHBondContact O-N 2.92Å; G139-T142 PolarHBondContact O-N 3.24Å; G139-T142 PolarHBondContact O-OG1 2.67Å; G139-T142 VanDerWaalsContact O-OG1 3.13Å; G139-H148 PolarHBondContact O-CE1 2.77Å
140D92.2Very high93Very high120 Ų12058.3 Ų58.364%0.64231%0.305SS*.G310 helixtrans-65.1-35.3179.1-76.6-28000112.3T142 K143D140-T142 PolarHBondContact O-N 2.95Å; D140-K143 PolarHBondContact O-N 3.42Å; D140-K143 WeakPolarHBondContact OD1-CE 3.45Å; D140-K143 IonicContact OD1-NZ 2.59Å; D140-K143 PolarHBondContact OD1-NZ 3.01Å
141D91Very high93Very high125 Ų12558 Ų5867%0.66830%0.301SS*.G310 helixtrans-72.3-15.8-178.4-64.1-36000113.6W120 G139W120-D141 HydrophobicContact CZ2-CB 4.45Å; G139-D141 VanDerWaalsContact C-N 3.31Å; G139-D141 PolarHBondContact O-N 2.92Å
142T93.4Very high93Very high1 Ų160.6 Ų60.61%0.00631%0.313CS..G310 helixtrans-101.8-4.4-179.164.90000112.9W120 E135 L136 G139 D140 Q144 E145 F147 H148W120-T142 HydrophobicContact CH2-CG2 4.34Å; W120-T142 HydrophobicContact CZ2-CG2 3.62Å; E135-T142 WeakPolarHBondContact O-CG2 3.41Å; L136-T142 WeakPolarHBondContact O-CB 3.49Å; L136-T142 WeakPolarHBondContact O-CG2 3.41Å; L136-T142 PolarHBondContact O-OG1 3.32Å; G139-T142 PolarHBondContact O-N 3.24Å; G139-T142 PolarHBondContact O-OG1 2.67Å; G139-T142 VanDerWaalsContact O-OG1 3.13Å; D140-T142 PolarHBondContact O-N 2.95Å; T142-Q144 PolarHBondContact O-N 3.17Å; T142-E145 WeakPolarHBondContact O-CA 3.47Å; T142-E145 VanDerWaalsContact O-CB 3.3Å; T142-E145 WeakPolarHBondContact O-CB 3.06Å; T142-E145 PolarHBondContact O-N 2.9Å; T142-F147 HydrophobicContact CG2-CE2 3.83Å; T142-F147 HydrophobicContact CG2-CZ 4.46Å; T142-H148 VanDerWaalsContact O-CB 3.27Å; T142-H148 WeakPolarHBondContact O-CB 3.47Å; T142-H148 PolarHBondContact OG1-ND1 3.12Å
143K92.1Very high92.8Very high116 Ų11660.5 Ų60.550%0.50432%0.315SS..THydrogen-bonded Turntrans-51.5-28.7-174.8-76.5178.8179.7165.50115.6D140D140-K143 PolarHBondContact O-N 3.42Å; D140-K143 WeakPolarHBondContact OD1-CE 3.45Å; D140-K143 IonicContact OD1-NZ 2.59Å; D140-K143 PolarHBondContact OD1-NZ 3.01Å
144Q92.2Very high92.6Very high182 Ų18260.8 Ų60.885%0.8532%0.317SS*.THydrogen-bonded Turntrans-94.8-8178.9-58.8-56.7-37.600113.6T142T142-Q144 PolarHBondContact O-N 3.17Å
145E93.8Very high92.7Very high62 Ų6253.2 Ų53.229%0.2929%0.288SS..SBendtrans-82145.4179.7-64.8-61.4154.500111.6W120 T142 F147 H148W120-E145 VanDerWaalsContact CD1-CG 3.47Å; W120-E145 HydrophobicContact CG-CG 4.16Å; T142-E145 WeakPolarHBondContact O-CA 3.47Å; T142-E145 VanDerWaalsContact O-CB 3.3Å; T142-E145 WeakPolarHBondContact O-CB 3.06Å; T142-E145 PolarHBondContact O-N 2.9Å; E145-F147 HydrophobicContact CB-CD1 4.01Å; E145-F147 HydrophobicContact CB-CD2 4.28Å; E145-F147 HydrophobicContact CB-CE1 3.6Å; E145-F147 HydrophobicContact CB-CE2 3.9Å; E145-F147 HydrophobicContact CB-CG 4.32Å; E145-F147 HydrophobicContact CB-CZ 3.54Å; E145-F147 HydrophobicContact CG-CE1 3.87Å; E145-F147 HydrophobicContact CG-CE2 4.29Å; E145-F147 HydrophobicContact CG-CZ 3.61Å; E145-F147 PolarHBondContact O-N 3.47Å; E145-H148 WeakPolarHBondContact O-CB 3.16Å; E145-H148 PolarHBondContact O-N 3.23Å; E145-H148 VanDerWaalsContact O-N 3.12Å
146A92.2Very high92.7Very high50 Ų5050.9 Ų50.941%0.41328%0.28SS..THydrogen-bonded Turntrans-65.1-22.3-178.200000113.5W113 L116W113-A146 WeakPolarHBondContact CH2-O 3.44Å; W113-A146 HydrophobicContact CZ3-CB 4.09Å; W113-A146 WeakPolarHBondContact CZ3-O 3.31Å; L116-A146 HydrophobicContact CD1-CB 4.22Å
147F93Very high92.7Very high1 Ų153.8 Ų53.80%0.00430%0.296CS..THydrogen-bonded Turntrans-92.71.7179.158.3-102.1000113.2W113 L116 I117 W120 T142 E145 G149 L150W113-F147 HydrophobicContact CE3-CB 3.9Å; W113-F147 HydrophobicContact CZ3-CB 3.83Å; L116-F147 HydrophobicContact CB-CD1 4.06Å; L116-F147 HydrophobicContact CB-CE1 4.46Å; I117-F147 HydrophobicContact CG1-CB 4.37Å; I117-F147 HydrophobicContact CG1-CD1 3.77Å; I117-F147 HydrophobicContact CG1-CD2 4.27Å; I117-F147 HydrophobicContact CG1-CE1 4.1Å; I117-F147 HydrophobicContact CG1-CG 3.87Å; I117-F147 HydrophobicContact CG1-CZ 4.49Å; W120-F147 HydrophobicContact CB-CE1 3.78Å; W120-F147 HydrophobicContact CB-CZ 3.57Å; W120-F147 AromaticContact CD2-CZ 3.88Å; W120-F147 HydrophobicContact CD2-CZ 3.88Å; W120-F147 HydrophobicContact CE3-CZ 4.34Å; W120-F147 HydrophobicContact CG-CE1 4.24Å; W120-F147 AromaticContact CG-CZ 3.54Å; W120-F147 HydrophobicContact CG-CZ 3.54Å; T142-F147 HydrophobicContact CG2-CE2 3.83Å; T142-F147 HydrophobicContact CG2-CZ 4.46Å; E145-F147 HydrophobicContact CB-CD1 4.01Å; E145-F147 HydrophobicContact CB-CD2 4.28Å; E145-F147 HydrophobicContact CB-CE1 3.6Å; E145-F147 HydrophobicContact CB-CE2 3.9Å; E145-F147 HydrophobicContact CB-CG 4.32Å; E145-F147 HydrophobicContact CB-CZ 3.54Å; E145-F147 HydrophobicContact CG-CE1 3.87Å; E145-F147 HydrophobicContact CG-CE2 4.29Å; E145-F147 HydrophobicContact CG-CZ 3.61Å; E145-F147 PolarHBondContact O-N 3.47Å; F147-G149 PolarHBondContact O-N 3.21Å; F147-L150 HydrophobicContact CB-CB 4.42Å; F147-L150 HydrophobicContact CB-CD2 4.03Å; F147-L150 WeakPolarHBondContact O-CB 3.45Å; F147-L150 PolarHBondContact O-N 2.77Å; F147-L150 VanDerWaalsContact O-N 3.13Å
148H93.2Very high92.8Very high35 Ų3553.7 Ų53.716%0.16230%0.295CS..THydrogen-bonded Turntrans-58.5137.7167.8-169.275.4000109.3K49 T137 G139 T142 E145 L150K49-H148 WeakPolarHBondContact CD-O 3.1Å; K49-H148 WeakPolarHBondContact CE-O 3.49Å; K49-H148 PolarHBondContact NZ-O 2.95Å; T137-H148 PolarHBondContact O-CE1 3.38Å; T137-H148 PolarHBondContact O-ND1 3.24Å; T137-H148 VanDerWaalsContact O-ND1 3.14Å; G139-H148 PolarHBondContact O-CE1 2.77Å; T142-H148 VanDerWaalsContact O-CB 3.27Å; T142-H148 WeakPolarHBondContact O-CB 3.47Å; T142-H148 PolarHBondContact OG1-ND1 3.12Å; E145-H148 WeakPolarHBondContact O-CB 3.16Å; E145-H148 PolarHBondContact O-N 3.23Å; E145-H148 VanDerWaalsContact O-N 3.12Å; H148-L150 PolarHBondContact O-N 3.33Å
149G91.6Very high92.9Very high27 Ų2749.8 Ų49.828%0.27827%0.274SS..THydrogen-bonded Turntrans61.723-175.700000114.4T137 F147T137-G149 WeakPolarHBondContact O-CA 3.19Å; T137-G149 PolarHBondContact O-N 2.98Å; F147-G149 PolarHBondContact O-N 3.21Å
150L92.5Very high93.1Very high8 Ų851.3 Ų51.34%0.04228%0.28CS..  trans-64.2138.7173.8-174.660.4000109.8F51 W113 T137 F147 H148 I152 V154 L155F51-L150 HydrophobicContact CE1-CD1 3.64Å; F51-L150 HydrophobicContact CE2-CD1 3.86Å; F51-L150 HydrophobicContact CZ-CD1 3.13Å; F51-L150 HydrophobicContact CZ-CG 4.45Å; W113-L150 HydrophobicContact CD2-CD1 4.38Å; W113-L150 HydrophobicContact CD2-CD2 4.36Å; W113-L150 HydrophobicContact CE3-CD2 4.49Å; W113-L150 HydrophobicContact CH2-CD1 4.37Å; W113-L150 HydrophobicContact CZ2-CD1 3.95Å; T137-L150 HydrophobicContact CG2-CB 4.39Å; T137-L150 WeakPolarHBondContact CG2-O 3.4Å; F147-L150 HydrophobicContact CB-CB 4.42Å; F147-L150 HydrophobicContact CB-CD2 4.03Å; F147-L150 WeakPolarHBondContact O-CB 3.45Å; F147-L150 PolarHBondContact O-N 2.77Å; F147-L150 VanDerWaalsContact O-N 3.13Å; H148-L150 PolarHBondContact O-N 3.33Å; L150-I152 PolarHBondContact O-N 2.7Å; L150-V154 HydrophobicContact CD1-CB 3.83Å; L150-V154 HydrophobicContact CD1-CG1 3.55Å; L150-V154 HydrophobicContact CD2-CG1 4.31Å; L150-V154 HydrophobicContact CG-CB 4.11Å; L150-V154 HydrophobicContact CG-CG1 4.14Å; L150-L155 HydrophobicContact CD2-CB 3.92Å; L150-L155 HydrophobicContact CD2-CD1 4.1Å; L150-L155 HydrophobicContact CG-CB 4.22Å
151D90.6Very high93.4Very high75 Ų7546.3 Ų46.340%0.40125%0.254SS..  trans-60.1135.5173.2177.3-88000110.4F51 S153 V154 L155F51-D151 HydrophobicContact CD2-CB 3.52Å; F51-D151 HydrophobicContact CE2-CB 3.95Å; F51-D151 HydrophobicContact CG-CB 4.22Å; D151-S153 PolarHBondContact O-N 2.78Å; D151-S153 VanDerWaalsContact O-N 3.16Å; D151-S153 WeakPolarHBondContact OD1-CA 3.5Å; D151-S153 WeakPolarHBondContact OD1-CB 3.42Å; D151-S153 PolarHBondContact OD1-N 2.84Å; D151-S153 PolarHBondContact OD1-OG 2.86Å; D151-V154 HydrophobicContact CB-CB 4.47Å; D151-V154 HydrophobicContact CB-CG2 4.12Å; D151-V154 WeakPolarHBondContact O-CA 3.3Å; D151-V154 WeakPolarHBondContact O-CB 3.47Å; D151-V154 PolarHBondContact O-N 3.45Å; D151-L155 PolarHBondContact O-N 3.04Å
152I91.9Very high93.7Very high58 Ų5840.4 Ų40.430%0.29722%0.223SC..Hα-helixtrans-56.8-35.7-174.6-63.2-60.7000112F133 T137 L150 V154 L155 T156F133-I152 HydrophobicContact CB-CD1 4.13Å; F133-I152 HydrophobicContact CD2-CD1 4.38Å; F133-I152 HydrophobicContact CD2-CG2 3.97Å; F133-I152 HydrophobicContact CE2-CG2 4.36Å; T137-I152 HydrophobicContact CG2-CD1 4.16Å; L150-I152 PolarHBondContact O-N 2.7Å; I152-V154 VanDerWaalsContact C-N 3.31Å; I152-V154 PolarHBondContact O-N 2.81Å; I152-L155 PolarHBondContact O-N 2.54Å; I152-T156 WeakPolarHBondContact O-CB 3.49Å; I152-T156 PolarHBondContact O-N 2.94Å; I152-T156 PolarHBondContact O-OG1 3.37Å
153S90.5Very high93.8Very high53 Ų5344.6 Ų44.637%0.37124%0.242SC..Hα-helixtrans-66.8-35177.377.90000112.1D151 N157D151-S153 PolarHBondContact O-N 2.78Å; D151-S153 VanDerWaalsContact O-N 3.16Å; D151-S153 WeakPolarHBondContact OD1-CA 3.5Å; D151-S153 WeakPolarHBondContact OD1-CB 3.42Å; D151-S153 PolarHBondContact OD1-N 2.84Å; D151-S153 PolarHBondContact OD1-OG 2.86Å; S153-N157 VanDerWaalsContact O-CG 3.22Å; S153-N157 PolarHBondContact O-N 3.02Å; S153-N157 VanDerWaalsContact O-N 3.16Å; S153-N157 PolarHBondContact O-ND2 3.14Å; S153-N157 VanDerWaalsContact O-ND2 3.09Å
154V92.4Very high94.1Very high12 Ų1247.5 Ų47.57%0.07326%0.255CS..Hα-helixtrans-75-41.3177.3-177.10000110.8F51 L150 D151 I152 T156 N157 A158F51-V154 HydrophobicContact CB-CG2 4.11Å; F51-V154 HydrophobicContact CD1-CB 4.36Å; F51-V154 HydrophobicContact CD1-CG1 4.24Å; F51-V154 HydrophobicContact CD1-CG2 3.61Å; F51-V154 HydrophobicContact CD2-CG2 4.36Å; F51-V154 HydrophobicContact CE1-CB 4.35Å; F51-V154 HydrophobicContact CE1-CG1 3.96Å; F51-V154 HydrophobicContact CE1-CG2 4.08Å; F51-V154 HydrophobicContact CG-CG2 3.75Å; L150-V154 HydrophobicContact CD1-CB 3.83Å; L150-V154 HydrophobicContact CD1-CG1 3.55Å; L150-V154 HydrophobicContact CD2-CG1 4.31Å; L150-V154 HydrophobicContact CG-CB 4.11Å; L150-V154 HydrophobicContact CG-CG1 4.14Å; D151-V154 HydrophobicContact CB-CB 4.47Å; D151-V154 HydrophobicContact CB-CG2 4.12Å; D151-V154 WeakPolarHBondContact O-CA 3.3Å; D151-V154 WeakPolarHBondContact O-CB 3.47Å; D151-V154 PolarHBondContact O-N 3.45Å; I152-V154 VanDerWaalsContact C-N 3.31Å; I152-V154 PolarHBondContact O-N 2.81Å; V154-T156 VanDerWaalsContact C-N 3.34Å; V154-T156 PolarHBondContact O-N 3.18Å; V154-N157 PolarHBondContact O-N 2.71Å; V154-A158 PolarHBondContact O-N 3.36Å
155L95.1Very high94.3Very high0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-57.5-49.1172.4178.765000110.6I117 F133 L136 T137 L150 D151 I152 N157 A158 I159I117-L155 HydrophobicContact CD1-CD1 3.57Å; F133-L155 HydrophobicContact CB-CD2 3.73Å; F133-L155 HydrophobicContact CD1-CD2 4.01Å; F133-L155 HydrophobicContact CD2-CD2 3.89Å; F133-L155 HydrophobicContact CE2-CD2 4.5Å; F133-L155 HydrophobicContact CG-CD2 3.6Å; L136-L155 HydrophobicContact CB-CD2 4.31Å; L136-L155 HydrophobicContact CD1-CD1 4.21Å; L136-L155 HydrophobicContact CD1-CD2 4.35Å; T137-L155 HydrophobicContact CG2-CD2 3.77Å; L150-L155 HydrophobicContact CD2-CB 3.92Å; L150-L155 HydrophobicContact CD2-CD1 4.1Å; L150-L155 HydrophobicContact CG-CB 4.22Å; D151-L155 PolarHBondContact O-N 3.04Å; I152-L155 PolarHBondContact O-N 2.54Å; L155-N157 VanDerWaalsContact C-N 3.28Å; L155-N157 PolarHBondContact O-N 3.35Å; L155-A158 WeakPolarHBondContact O-CA 3.32Å; L155-A158 WeakPolarHBondContact O-CB 3.35Å; L155-A158 PolarHBondContact O-N 3.36Å; L155-I159 HydrophobicContact CD1-CD1 4.21Å; L155-I159 HydrophobicContact CD1-CG1 4.09Å; L155-I159 HydrophobicContact CG-CG1 4.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.27Å; L155-I159 PolarHBondContact O-N 3.37Å
156T94.9Very high94.4Very high45 Ų4543.4 Ų43.428%0.27625%0.246SC..Hα-helixtrans-56-43.6178.6-58.30000111.5F133 I152 V154 A158 I159 T160 I170F133-T156 WeakPolarHBondContact CE2-OG1 3.39Å; I152-T156 WeakPolarHBondContact O-CB 3.49Å; I152-T156 PolarHBondContact O-N 2.94Å; I152-T156 PolarHBondContact O-OG1 3.37Å; V154-T156 VanDerWaalsContact C-N 3.34Å; V154-T156 PolarHBondContact O-N 3.18Å; T156-A158 PolarHBondContact O-N 2.94Å; T156-I159 PolarHBondContact O-N 3.12Å; T156-T160 WeakPolarHBondContact O-CB 3.35Å; T156-T160 PolarHBondContact O-N 2.94Å; T156-T160 PolarHBondContact O-OG1 3.48Å; T156-I170 HydrophobicContact CG2-CD1 4.36Å
157N94.2Very high94.5Very high62 Ų6243.5 Ų43.533%0.33224%0.238SC..Hα-helixtrans-62.6-42.2176.3-70.5-30.5000111.9P110 S153 V154 L155 T160 V161P110-N157 HydrophobicContact CB-CB 4.19Å; P110-N157 HydrophobicContact CG-CB 4.25Å; S153-N157 VanDerWaalsContact O-CG 3.22Å; S153-N157 PolarHBondContact O-N 3.02Å; S153-N157 VanDerWaalsContact O-N 3.16Å; S153-N157 PolarHBondContact O-ND2 3.14Å; S153-N157 VanDerWaalsContact O-ND2 3.09Å; V154-N157 PolarHBondContact O-N 2.71Å; L155-N157 VanDerWaalsContact C-N 3.28Å; L155-N157 PolarHBondContact O-N 3.35Å; N157-T160 WeakPolarHBondContact O-CB 3.09Å; N157-T160 PolarHBondContact O-N 3.36Å; N157-V161 WeakPolarHBondContact O-CG2 3.47Å; N157-V161 PolarHBondContact O-N 3.44Å; N157-V161 VanDerWaalsContact O-N 3.14Å
158A96.2Very high94.7Very high0 Ų043.6 Ų43.60%024%0.239CC..Hα-helixtrans-65.5-45.2177.200000112.3W113 A114 I117 V154 L155 T156 T160 V161 L162W113-A158 HydrophobicContact CB-CB 3.52Å; A114-A158 WeakPolarHBondContact CB-O 3.46Å; I117-A158 HydrophobicContact CD1-CB 3.86Å; V154-A158 PolarHBondContact O-N 3.36Å; L155-A158 WeakPolarHBondContact O-CA 3.32Å; L155-A158 WeakPolarHBondContact O-CB 3.35Å; L155-A158 PolarHBondContact O-N 3.36Å; T156-A158 PolarHBondContact O-N 2.94Å; A158-T160 VanDerWaalsContact C-N 3.31Å; A158-T160 PolarHBondContact O-N 3.33Å; A158-V161 WeakPolarHBondContact O-CB 3.16Å; A158-V161 PolarHBondContact O-N 2.91Å; A158-V161 VanDerWaalsContact O-N 3.14Å; A158-L162 PolarHBondContact O-N 3.15Å; A158-L162 VanDerWaalsContact O-N 3.15Å
159I96.5Very high94.8Very high0 Ų046.5 Ų46.50%025%0.252CS..Hα-helixtrans-65.5-36.3176.2-56.8-54.7000111I117 F133 L136 L155 T156 V161 L162 Q163 A168 I170 V176 F178I117-I159 HydrophobicContact CD1-CD1 3.99Å; I117-I159 HydrophobicContact CG2-CD1 3.87Å; F133-I159 HydrophobicContact CE1-CG1 4.42Å; L136-I159 HydrophobicContact CD1-CD1 4.43Å; L155-I159 HydrophobicContact CD1-CD1 4.21Å; L155-I159 HydrophobicContact CD1-CG1 4.09Å; L155-I159 HydrophobicContact CG-CG1 4.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.27Å; L155-I159 PolarHBondContact O-N 3.37Å; T156-I159 PolarHBondContact O-N 3.12Å; I159-V161 PolarHBondContact O-N 3.13Å; I159-L162 HydrophobicContact CD1-CD1 4.07Å; I159-L162 CarbonylContact O-C 3.6Å; I159-L162 WeakPolarHBondContact O-CA 3.4Å; I159-L162 WeakPolarHBondContact O-CB 3.1Å; I159-L162 PolarHBondContact O-N 3.43Å; I159-Q163 PolarHBondContact O-N 2.88Å; I159-A168 HydrophobicContact CG2-CB 4.33Å; I159-I170 HydrophobicContact CB-CD1 4.25Å; I159-I170 HydrophobicContact CB-CG1 4.17Å; I159-I170 HydrophobicContact CG2-CD1 4.02Å; I159-I170 HydrophobicContact CG2-CG1 3.43Å; I159-I170 VanDerWaalsContact CG2-CG1 3.43Å; I159-V176 HydrophobicContact CD1-CG2 4.38Å; I159-V176 HydrophobicContact CG2-CB 4.26Å; I159-V176 HydrophobicContact CG2-CG2 3.55Å; I159-F178 HydrophobicContact CD1-CE1 4.16Å; I159-F178 HydrophobicContact CD1-CZ 4.19Å
160T96.5Very high94.9Very high45 Ų4547.7 Ų47.728%0.27625%0.252SS..Hα-helixtrans-59.5-36.1173.8-61.40000111.7T156 N157 A158 Q163 K164T156-T160 WeakPolarHBondContact O-CB 3.35Å; T156-T160 PolarHBondContact O-N 2.94Å; T156-T160 PolarHBondContact O-OG1 3.48Å; N157-T160 WeakPolarHBondContact O-CB 3.09Å; N157-T160 PolarHBondContact O-N 3.36Å; A158-T160 VanDerWaalsContact C-N 3.31Å; A158-T160 PolarHBondContact O-N 3.33Å; T160-Q163 PolarHBondContact O-N 3.28Å; T160-K164 WeakPolarHBondContact O-CG 3.18Å; T160-K164 PolarHBondContact O-N 2.86Å
161V97.3Very high95Very high16 Ų1651.4 Ų51.410%0.09727%0.27CS..Hα-helixtrans-64.9-44.6172.3171.90000110.9P110 E111 A114 N157 A158 I159 Q163 K164 R165P110-V161 HydrophobicContact CB-CG2 3.97Å; E111-V161 HydrophobicContact CG-CG1 4.19Å; A114-V161 HydrophobicContact CB-CB 3.93Å; A114-V161 HydrophobicContact CB-CG1 3.79Å; N157-V161 WeakPolarHBondContact O-CG2 3.47Å; N157-V161 PolarHBondContact O-N 3.44Å; N157-V161 VanDerWaalsContact O-N 3.14Å; A158-V161 WeakPolarHBondContact O-CB 3.16Å; A158-V161 PolarHBondContact O-N 2.91Å; A158-V161 VanDerWaalsContact O-N 3.14Å; I159-V161 PolarHBondContact O-N 3.13Å; V161-Q163 VanDerWaalsContact C-N 3.31Å; V161-Q163 PolarHBondContact O-N 3.24Å; V161-K164 PolarHBondContact O-N 2.76Å; V161-R165 VanDerWaalsContact CG1-CZ 3.49Å; V161-R165 VanDerWaalsContact CG1-NE 3.33Å; V161-R165 VanDerWaalsContact O-CG 3.3Å; V161-R165 WeakPolarHBondContact O-CG 3.41Å; V161-R165 PolarHBondContact O-N 2.72Å; V161-R165 VanDerWaalsContact O-N 3.12Å
162L97Very high94.8Very high0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-61-39.6175.1-65.8178.9000112.5A114 I117 A118 A158 I159 R165 G166 Q167 A168 F178A114-L162 HydrophobicContact CB-CD2 3.77Å; A114-L162 HydrophobicContact CB-CG 3.81Å; I117-L162 HydrophobicContact CB-CD1 4.36Å; I117-L162 HydrophobicContact CG2-CD1 4.09Å; A118-L162 HydrophobicContact CB-CD1 4.33Å; A118-L162 HydrophobicContact CB-CD2 3.74Å; A158-L162 PolarHBondContact O-N 3.15Å; A158-L162 VanDerWaalsContact O-N 3.15Å; I159-L162 HydrophobicContact CD1-CD1 4.07Å; I159-L162 CarbonylContact O-C 3.6Å; I159-L162 WeakPolarHBondContact O-CA 3.4Å; I159-L162 WeakPolarHBondContact O-CB 3.1Å; I159-L162 PolarHBondContact O-N 3.43Å; L162-R165 CarbonylContact O-C 3.59Å; L162-R165 WeakPolarHBondContact O-CA 3.34Å; L162-R165 WeakPolarHBondContact O-CB 3.38Å; L162-R165 PolarHBondContact O-N 2.8Å; L162-R165 VanDerWaalsContact O-N 3.1Å; L162-G166 PolarHBondContact O-N 2.9Å; L162-G166 VanDerWaalsContact O-N 3.12Å; L162-Q167 HydrophobicContact CB-CB 4.21Å; L162-Q167 HydrophobicContact CD2-CB 4.1Å; L162-Q167 PolarHBondContact O-N 2.59Å; L162-A168 HydrophobicContact CB-CB 3.7Å; L162-A168 HydrophobicContact CD1-CB 4.34Å; L162-A168 PolarHBondContact O-N 2.82Å; L162-F178 HydrophobicContact CD1-CD1 4.43Å; L162-F178 HydrophobicContact CD1-CE1 3.92Å
163Q96.7Very high94.5Very high90 Ų9061 Ų6142%0.42132%0.316SS..Hα-helixtrans-63.2-44.2176.8-174.6173.2-47.500112.2I159 T160 V161 R165 G166 A168I159-Q163 PolarHBondContact O-N 2.88Å; T160-Q163 PolarHBondContact O-N 3.28Å; V161-Q163 VanDerWaalsContact C-N 3.31Å; V161-Q163 PolarHBondContact O-N 3.24Å; Q163-R165 PolarHBondContact O-N 3.34Å; Q163-G166 PolarHBondContact O-N 3.21Å; Q163-A168 WeakPolarHBondContact CA-O 3.48Å; Q163-A168 WeakPolarHBondContact CB-O 3.08Å
164K97Very high94.4Very high177 Ų17763.8 Ų63.877%0.7732%0.323SS*.Hα-helixtrans-61.6-27.1173.4-71.9174.1-178.2176.40113.1T160 V161T160-K164 WeakPolarHBondContact O-CG 3.18Å; T160-K164 PolarHBondContact O-N 2.86Å; V161-K164 PolarHBondContact O-N 2.76Å
165R96.8Very high94.5Very high103 Ų10363.5 Ų63.539%0.38932%0.323SS..THydrogen-bonded Turntrans-86.7-1.7175.7-65171.3-175.7-175.42.6113.4D115 V161 L162 Q163 Q167D115-R165 IonicContact OD1-CZ 2.83Å; D115-R165 IonicContact OD1-NH1 3.73Å; D115-R165 PolarHBondContact OD1-NH1 3.47Å; D115-R165 IonicContact OD1-NH2 2.83Å; V161-R165 VanDerWaalsContact CG1-CZ 3.49Å; V161-R165 VanDerWaalsContact CG1-NE 3.33Å; V161-R165 VanDerWaalsContact O-CG 3.3Å; V161-R165 WeakPolarHBondContact O-CG 3.41Å; V161-R165 PolarHBondContact O-N 2.72Å; V161-R165 VanDerWaalsContact O-N 3.12Å; L162-R165 CarbonylContact O-C 3.59Å; L162-R165 WeakPolarHBondContact O-CA 3.34Å; L162-R165 WeakPolarHBondContact O-CB 3.38Å; L162-R165 PolarHBondContact O-N 2.8Å; L162-R165 VanDerWaalsContact O-N 3.1Å; Q163-R165 PolarHBondContact O-N 3.34Å; R165-Q167 VanDerWaalsContact C-N 3.26Å; R165-Q167 HydrophobicContact CB-CG 4.05Å; R165-Q167 PolarHBondContact O-N 3.1Å
166G95.5Very high94.5Very high55 Ų5563.5 Ų63.557%0.56732%0.323SS*.THydrogen-bonded Turntrans70.220.3-175.600000114.1L162 Q163L162-G166 PolarHBondContact O-N 2.9Å; L162-G166 VanDerWaalsContact O-N 3.12Å; Q163-G166 PolarHBondContact O-N 3.21Å
167Q95.5Very high94.5Very high51 Ų5165 Ų6524%0.23833%0.326CS..SBendtrans-101.5-14.2-175-68.4-175.2-60.200113.5L162 R165 Y179 C180L162-Q167 HydrophobicContact CB-CB 4.21Å; L162-Q167 HydrophobicContact CD2-CB 4.1Å; L162-Q167 PolarHBondContact O-N 2.59Å; R165-Q167 VanDerWaalsContact C-N 3.26Å; R165-Q167 HydrophobicContact CB-CG 4.05Å; R165-Q167 PolarHBondContact O-N 3.1Å; Q167-Y179 PolarHBondContact O-N 2.59Å; Q167-C180 HydrophobicContact CB-CB 4.04Å; Q167-C180 HydrophobicContact CG-CB 4.27Å
168A96.2Very high94.5Very high3 Ų362 Ų623%0.02531%0.31CS..EExtended strand (participates in β ladder)trans-154.2170.5175.200000111.1I159 L162 Q163 V176 K177 F178I159-A168 HydrophobicContact CG2-CB 4.33Å; L162-A168 HydrophobicContact CB-CB 3.7Å; L162-A168 HydrophobicContact CD1-CB 4.34Å; L162-A168 PolarHBondContact O-N 2.82Å; Q163-A168 WeakPolarHBondContact CA-O 3.48Å; Q163-A168 WeakPolarHBondContact CB-O 3.08Å; A168-V176 HydrophobicContact CB-CG2 3.89Å; A168-K177 CarbonylContact C-O 3.59Å; A168-K177 WeakPolarHBondContact CA-O 3.27Å; A168-K177 WeakPolarHBondContact CB-O 3.49Å; A168-F178 HydrophobicContact CB-CD1 4Å; A168-F178 HydrophobicContact CB-CE1 4.34Å
169E95.1Very high94.3Very high96 Ų9666.1 Ų66.145%0.44933%0.326SS..EExtended strand (participates in β ladder)trans-139.5129169.5176.7171.8-17300109.6V176 K177 Y179E169-V176 CarbonylContact O-C 3.47Å; E169-V176 WeakPolarHBondContact O-CA 3.34Å; E169-K177 PolarHBondContact N-O 3.18Å; E169-K177 PolarHBondContact O-N 3.11Å; E169-Y179 HydrophobicContact CB-CE2 3.66Å; E169-Y179 PolarHBondContact OE2-OH 3.35Å
170I95.2Very high93.6Very high53 Ų5368 Ų6827%0.27234%0.339SS..EExtended strand (participates in β ladder)trans-74.5127.3171.7-60.2175.2000108F133 T156 I159F133-I170 HydrophobicContact CZ-CG2 4.42Å; T156-I170 HydrophobicContact CG2-CD1 4.36Å; I159-I170 HydrophobicContact CB-CD1 4.25Å; I159-I170 HydrophobicContact CB-CG1 4.17Å; I159-I170 HydrophobicContact CG2-CD1 4.02Å; I159-I170 HydrophobicContact CG2-CG1 3.43Å; I159-I170 VanDerWaalsContact CG2-CG1 3.43Å
171M93.1Very high93.5Very high85 Ų8569.2 Ų69.242%0.41934%0.342SS..PPolyproline II helixtrans-100.7171.9177.2-60.2179.163.300110.4V130 G175 K177V130-M171 HydrophobicContact CB-SD 4.48Å; V130-M171 HydrophobicContact CG1-SD 3.81Å; V130-M171 HydrophobicContact CG2-CE 4.48Å; V130-M171 HydrophobicContact CG2-SD 3.81Å; M171-G175 PolarHBondContact N-O 3.05Å; M171-K177 HydrophobicContact SD-CB 3.95Å
172E87.2Confident93.3Very high176 Ų17672 Ų7282%0.82236%0.355SS*.SBendtrans-59.5158.9168.9-62.8-178.1171.100110.9E174 G175E172-E174 PolarHBondContact O-N 3.02Å; E172-G175 PolarHBondContact O-N 3.35Å
173D85.5Confident93.1Very high159 Ų15976 Ų7685%0.8538%0.375SS*.THydrogen-bonded Turntrans56.140.3177.3-58-31.1000115.5G175D173-G175 PolarHBondContact O-N 3.14Å
174E89.2Confident92.9Very high111 Ų11175.2 Ų75.252%0.51937%0.372SS..THydrogen-bonded Turntrans59.431.1178.5-55.7-174.6155.800113.3T132 F133 E172T132-E174 CarbonylContact C-O 3.58Å; F133-E174 HydrophobicContact CB-CB 4.01Å; F133-E174 HydrophobicContact CD1-CB 4.45Å; F133-E174 WeakPolarHBondContact CD1-O 3.13Å; F133-E174 HydrophobicContact CD2-CB 3.83Å; F133-E174 HydrophobicContact CD2-CG 4.23Å; F133-E174 HydrophobicContact CE2-CB 4.43Å; F133-E174 HydrophobicContact CG-CB 3.86Å; F133-E174 WeakPolarHBondContact CG-O 3.44Å; F133-E174 PolarHBondContact N-O 2.97Å; E172-E174 PolarHBondContact O-N 3.02Å
175G93.4Very high92.6Very high6 Ų668.8 Ų68.86%0.06235%0.347CS..EExtended strand (participates in β ladder)trans-84.1154.7169.300000112.8C131 M171 E172 D173C131-G175 CarbonylContact O-C 3.59Å; M171-G175 PolarHBondContact N-O 3.05Å; E172-G175 PolarHBondContact O-N 3.35Å; D173-G175 PolarHBondContact O-N 3.14Å
176V95.3Very high92.3Very high0 Ų066.5 Ų66.50%034%0.344CS..EExtended strand (participates in β ladder)trans-138.213416756.50000110.4V130 C131 F133 L136 I159 A168 E169 F178V130-V176 CarbonylContact C-O 3.51Å; V130-V176 WeakPolarHBondContact CA-O 3.21Å; C131-V176 HydrophobicContact CB-CG1 4.32Å; C131-V176 PolarHBondContact N-O 3.22Å; C131-V176 WeakPolarHBondContact O-CG1 3.35Å; C131-V176 PolarHBondContact O-N 3.09Å; C131-V176 VanDerWaalsContact O-O 3.11Å; F133-V176 HydrophobicContact CD1-CG1 4.38Å; F133-V176 HydrophobicContact CE1-CB 4.18Å; F133-V176 HydrophobicContact CE1-CG1 4.37Å; L136-V176 HydrophobicContact CD1-CG1 3.66Å; I159-V176 HydrophobicContact CD1-CG2 4.38Å; I159-V176 HydrophobicContact CG2-CB 4.26Å; I159-V176 HydrophobicContact CG2-CG2 3.55Å; A168-V176 HydrophobicContact CB-CG2 3.89Å; E169-V176 CarbonylContact O-C 3.47Å; E169-V176 WeakPolarHBondContact O-CA 3.34Å; V176-F178 HydrophobicContact CG1-CD2 4.48Å; V176-F178 HydrophobicContact CG1-CE2 3.68Å; V176-F178 HydrophobicContact CG1-CZ 3.81Å; V176-F178 HydrophobicContact CG2-CE1 4.16Å; V176-F178 HydrophobicContact CG2-CE2 4.26Å; V176-F178 HydrophobicContact CG2-CZ 4.04Å
177K94.9Very high92.1Very high76 Ų7667.4 Ų67.433%0.3333%0.328SS..EExtended strand (participates in β ladder)trans-102.6125.1169.4-172.7172-179.8-1780109.7V130 A168 E169 M171 Y179V130-K177 HydrophobicContact CG2-CB 4.23Å; V130-K177 HydrophobicContact CG2-CD 4.41Å; V130-K177 HydrophobicContact CG2-CG 4.2Å; A168-K177 CarbonylContact C-O 3.59Å; A168-K177 WeakPolarHBondContact CA-O 3.27Å; A168-K177 WeakPolarHBondContact CB-O 3.49Å; E169-K177 PolarHBondContact N-O 3.18Å; E169-K177 PolarHBondContact O-N 3.11Å; M171-K177 HydrophobicContact SD-CB 3.95Å; K177-Y179 HydrophobicContact CD-CE1 3.78Å; K177-Y179 HydrophobicContact CG-CE1 3.91Å
178F94.6Very high91.9Very high0 Ų068.6 Ų68.60%034%0.335CS..EExtended strand (participates in β ladder)trans-92.5140.8176.5-66.8-77.6000111.4I117 W120 A121 N128 S129 C131 L136 I159 L162 A168 V176I117-F178 HydrophobicContact CG2-CE1 3.54Å; I117-F178 HydrophobicContact CG2-CZ 3.57Å; W120-F178 HydrophobicContact CZ3-CE2 4.32Å; A121-F178 HydrophobicContact CB-CB 4.29Å; A121-F178 HydrophobicContact CB-CD1 3.99Å; A121-F178 HydrophobicContact CB-CD2 4.17Å; A121-F178 HydrophobicContact CB-CE1 4.38Å; A121-F178 HydrophobicContact CB-CG 3.88Å; N128-F178 WeakPolarHBondContact CA-O 3.25Å; N128-F178 PolarHBondContact N-O 3.43Å; S129-F178 PolarHBondContact O-N 2.76Å; C131-F178 HydrophobicContact CB-CE2 4.17Å; L136-F178 HydrophobicContact CD1-CE2 4.39Å; L136-F178 HydrophobicContact CD1-CZ 4.04Å; L136-F178 HydrophobicContact CD2-CE2 4.23Å; L136-F178 HydrophobicContact CD2-CZ 4.19Å; I159-F178 HydrophobicContact CD1-CE1 4.16Å; I159-F178 HydrophobicContact CD1-CZ 4.19Å; L162-F178 HydrophobicContact CD1-CD1 4.43Å; L162-F178 HydrophobicContact CD1-CE1 3.92Å; A168-F178 HydrophobicContact CB-CD1 4Å; A168-F178 HydrophobicContact CB-CE1 4.34Å; V176-F178 HydrophobicContact CG1-CD2 4.48Å; V176-F178 HydrophobicContact CG1-CE2 3.68Å; V176-F178 HydrophobicContact CG1-CZ 3.81Å; V176-F178 HydrophobicContact CG2-CE1 4.16Å; V176-F178 HydrophobicContact CG2-CE2 4.26Å; V176-F178 HydrophobicContact CG2-CZ 4.04Å
179Y92Very high91.5Very high87 Ų8774.1 Ų74.134%0.34136%0.361SS..  trans-1171.2177.8-57.9-59.6000113.2Q167 E169 K177Q167-Y179 PolarHBondContact O-N 2.59Å; E169-Y179 HydrophobicContact CB-CE2 3.66Å; E169-Y179 PolarHBondContact OE2-OH 3.35Å; K177-Y179 HydrophobicContact CD-CE1 3.78Å; K177-Y179 HydrophobicContact CG-CE1 3.91Å
180C82.7Confident91.2Very high40 Ų4072.1 Ų72.127%0.2735%0.353SS..  trans-93.50-168.469.90000115R122 S127 Q167R122-C180 WeakPolarHBondContact CD-OXT 3.05Å; R122-C180 HydrophobicContact CG-CB 4.49Å; R122-C180 WeakPolarHBondContact CG-OXT 3.38Å; S127-C180 WeakPolarHBondContact CB-O 3.47Å; S127-C180 PolarHBondContact OG-O 3.01Å; Q167-C180 HydrophobicContact CB-CB 4.04Å; Q167-C180 HydrophobicContact CG-CB 4.27Å

Retrieved 180 of 180 residues in 137.3 ms (Link to these results)

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