G7Q239_MACFA Loading...

Chloride intracellular channel protein

In the soluble state, catalyzes glutaredoxin-like thiol disulfide exchange reactions with reduced glutathione as electron donor. Displays weak glutathione peroxidase activity. Can insert into membranes and form chloride ion channels. Membrane insertion seems to be redox-regulated and may occur only under oxidizing conditions. Modulates the activity of RYR2 and inhibits calcium influx.

AlphaFold DB , UniProt , Accession G7Q239, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene n/a, Length 247 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
1M43.5Very low55.9Low249 Ų249137.9 Ų137.9100%1.22778%0.781SS**  0111.40-65.1-176.9-177.600105.5
2S42.1Very low59.1Low116 Ų116127.6 Ų127.681%0.81172%0.724SS**  -147.3131.155.738.30000110.6L4S2-L4 PolarHBondContact O-N 3.07Å
3G43.7Very low62Low74 Ų74127.4 Ų127.476%0.76371%0.713SS**  trans-69.1124.116800000109.6R5G3-R5 PolarHBondContact O-N 2.75Å; G3-R5 VanDerWaalsContact O-N 3.13Å
4L47.9Very low64.6Low177 Ų177118.9 Ų118.993%0.92767%0.665SS**  trans-60.5110.4163.4-84.5145.7000107.4S2S2-L4 PolarHBondContact O-N 3.07Å
5R48.6Very low66.8Low232 Ų232115.1 Ų115.188%0.87564%0.64SS**  trans-60.6133.6170.1-66.6179.4-171.3-179.61.9107.6G3 S7G3-R5 PolarHBondContact O-N 2.75Å; G3-R5 VanDerWaalsContact O-N 3.13Å; R5-S7 PolarHBondContact O-N 3.24Å
6P48Very low68.8Low115 Ų115107.9 Ų107.975%0.74760%0.6SS**  trans-57.1128.7163.9-12.925.4000107.2T8P6-T8 PolarHBondContact O-N 2.92Å
7S51.5Low70.4Confident98 Ų98102 Ų10269%0.68557%0.567SS**  trans-59.5114171.753.70000107.8R5 Q9R5-S7 PolarHBondContact O-N 3.24Å; S7-Q9 PolarHBondContact O-N 2.6Å
8T55.7Low71.8Confident139 Ų13996.4 Ų96.485%0.85354%0.536SS*.  trans-74.847.9175.452.50000110.3P6 V10P6-T8 PolarHBondContact O-N 2.92Å; T8-V10 PolarHBondContact O-N 2.79Å
9Q66.4Low73.1Confident122 Ų12295.3 Ų95.357%0.5753%0.525SS*.  trans-90.598.2-172.7-152.7-175.543.400106.8S7 D11 R98S7-Q9 PolarHBondContact O-N 2.6Å; Q9-D11 PolarHBondContact O-N 2.99Å; Q9-R98 VanDerWaalsContact CB-NH1 3.34Å; Q9-R98 PolarHBondContact O-NH1 3.26Å; Q9-R98 PolarHBondContact O-NH2 3.27Å; Q9-R98 VanDerWaalsContact OE1-NH1 3.13Å
10V82.2Confident74.2Confident131 Ų13190.9 Ų90.979%0.79450%0.502SS*.PPolyproline II helixtrans-51.7132.5-178.2-175.10000109.7T8T8-V10 PolarHBondContact O-N 2.79Å
11D85.2Confident75.2Confident64 Ų6487 Ų8734%0.34248%0.482SS..PPolyproline II helixtrans-58.2137172.6-77.4-34.7000108.9Q9 K46 R98Q9-D11 PolarHBondContact O-N 2.99Å; D11-K46 IonicContact OD2-NZ 2.75Å; D11-R98 IonicContact OD1-CZ 3.43Å; D11-R98 IonicContact OD1-NH2 3.95Å; D11-R98 PolarHBondContact OD1-NH2 2.75Å
12P94.5Very high77.6Confident14 Ų1479.2 Ų79.29%0.09145%0.453CS..PPolyproline II helixtrans-65.7147.6175.429.1-35000111.3I14 V45 Y75 N76 L94P12-I14 HydrophobicContact CB-CD1 4.33Å; P12-I14 HydrophobicContact CB-CG1 4Å; P12-I14 HydrophobicContact CG-CD1 3.77Å; P12-I14 HydrophobicContact CG-CG1 3.93Å; P12-I14 PolarHBondContact O-N 3.37Å; P12-V45 HydrophobicContact CG-CG2 3.91Å; P12-Y75 HydrophobicContact CB-CD2 4.38Å; P12-Y75 HydrophobicContact CB-CE1 4.07Å; P12-Y75 HydrophobicContact CB-CE2 3.56Å; P12-Y75 VanDerWaalsContact CB-OH 3.28Å; P12-Y75 WeakPolarHBondContact CB-OH 3.37Å; P12-Y75 HydrophobicContact CG-CE2 3.89Å; P12-N76 WeakPolarHBondContact CA-OD1 3.31Å; P12-L94 HydrophobicContact CG-CD2 4.25Å
13E96.9Very high80Confident125 Ų12577.8 Ų77.858%0.58444%0.436SS*.  trans-80.3111.8167.9-69.2176.2-177.100108.1Y75 N76E13-Y75 CarbonylContact O-C 3.27Å; E13-Y75 WeakPolarHBondContact O-CA 3.33Å; E13-N76 PolarHBondContact N-OD1 2.61Å; E13-N76 PolarHBondContact O-N 2.95Å
14I98.3Very high82.3Confident8 Ų874.9 Ų74.94%0.04141%0.405CS..EExtended strand (participates in β ladder)trans-122.7126.2-177.7-52.3-175.2000109.5P12 L40 V45 F47 N48 L73 V74 Y75 L94P12-I14 HydrophobicContact CB-CD1 4.33Å; P12-I14 HydrophobicContact CB-CG1 4Å; P12-I14 HydrophobicContact CG-CD1 3.77Å; P12-I14 HydrophobicContact CG-CG1 3.93Å; P12-I14 PolarHBondContact O-N 3.37Å; I14-L40 HydrophobicContact CD1-CD2 4.16Å; I14-L40 HydrophobicContact CG2-CD1 4.11Å; I14-L40 HydrophobicContact CG2-CD2 4.02Å; I14-V45 HydrophobicContact CD1-CB 4.39Å; I14-V45 HydrophobicContact CD1-CG1 3.79Å; I14-V45 HydrophobicContact CD1-CG2 3.69Å; I14-F47 HydrophobicContact CB-CB 3.72Å; I14-F47 HydrophobicContact CG2-CB 3.77Å; I14-F47 CarbonylContact O-C 3.51Å; I14-F47 VanDerWaalsContact O-CA 3.26Å; I14-F47 WeakPolarHBondContact O-CA 3.31Å; I14-N48 PolarHBondContact O-N 3.02Å; I14-L73 HydrophobicContact CG2-CD1 3.6Å; I14-L73 HydrophobicContact CG2-CG 4.31Å; I14-V74 WeakPolarHBondContact CA-O 3.4Å; I14-Y75 HydrophobicContact CD1-CD2 3.91Å; I14-Y75 HydrophobicContact CD1-CE2 3.72Å; I14-Y75 HydrophobicContact CG1-CD2 3.7Å; I14-Y75 HydrophobicContact CG1-CE2 3.85Å; I14-L94 HydrophobicContact CD1-CD1 4.28Å
15E97.7Very high84.3Confident63 Ų6373.9 Ų73.929%0.29440%0.396SS..EExtended strand (participates in β ladder)trans-129.5119.2170.9-169.7174.4-174.200110F17 N48 T50 L73 V74E15-F17 HydrophobicContact CB-CE2 3.97Å; E15-F17 HydrophobicContact CB-CZ 4.48Å; E15-F17 HydrophobicContact CG-CD2 4.28Å; E15-F17 HydrophobicContact CG-CE2 3.6Å; E15-F17 HydrophobicContact CG-CZ 3.77Å; E15-F17 WeakPolarHBondContact OE1-CZ 3.44Å; E15-N48 WeakPolarHBondContact CA-O 3.2Å; E15-N48 HydrophobicContact CG-CB 4.23Å; E15-T50 WeakPolarHBondContact OE1-CB 3.3Å; E15-T50 PolarHBondContact OE1-OG1 2.9Å; E15-L73 WeakPolarHBondContact O-CA 3.36Å; E15-V74 PolarHBondContact N-O 3.49Å; E15-V74 PolarHBondContact O-N 3.2Å
16L97.9Very high86.5Confident0 Ų064.4 Ų64.40%037%0.366CS..EExtended strand (participates in β ladder)trans-96.2123.7177.4178.368000109.7V18 L36 F37 L40 N48 V49 T50 L73L16-V18 HydrophobicContact CD2-CG1 3.74Å; L16-V18 HydrophobicContact CG-CG1 3.75Å; L16-L36 HydrophobicContact CD1-CB 3.98Å; L16-L36 HydrophobicContact CD1-CD1 4.26Å; L16-L36 HydrophobicContact CD2-CB 4.31Å; L16-F37 HydrophobicContact CD2-CB 3.84Å; L16-F37 HydrophobicContact CD2-CG 4.34Å; L16-L40 HydrophobicContact CB-CD1 3.91Å; L16-L40 HydrophobicContact CD2-CD1 4.13Å; L16-L40 HydrophobicContact CG-CD1 4.43Å; L16-N48 PolarHBondContact N-O 3.09Å; L16-V49 WeakPolarHBondContact O-CA 3.39Å; L16-T50 PolarHBondContact O-N 2.94Å; L16-L73 HydrophobicContact CB-CD1 4.06Å; L16-L73 HydrophobicContact CD1-CD1 4.02Å
17F96.4Very high88.8Confident7 Ų761.1 Ų61.13%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-99.9117.1176.6-66.6-97.3000110.1E15 T50 V52 L61 L64 P71 F72 V74E15-F17 HydrophobicContact CB-CE2 3.97Å; E15-F17 HydrophobicContact CB-CZ 4.48Å; E15-F17 HydrophobicContact CG-CD2 4.28Å; E15-F17 HydrophobicContact CG-CE2 3.6Å; E15-F17 HydrophobicContact CG-CZ 3.77Å; E15-F17 WeakPolarHBondContact OE1-CZ 3.44Å; F17-T50 VanDerWaalsContact CA-O 3.31Å; F17-T50 WeakPolarHBondContact CA-O 3.42Å; F17-T50 HydrophobicContact CD1-CG2 3.82Å; F17-T50 HydrophobicContact CE1-CG2 3.7Å; F17-V52 HydrophobicContact CB-CG2 3.97Å; F17-V52 HydrophobicContact CD1-CG2 3.87Å; F17-V52 HydrophobicContact CG-CG2 4.42Å; F17-L61 HydrophobicContact CD1-CD2 3.99Å; F17-L61 HydrophobicContact CE1-CD2 3.84Å; F17-L64 HydrophobicContact CE1-CD2 4.21Å; F17-L64 HydrophobicContact CE2-CD2 4.1Å; F17-L64 HydrophobicContact CZ-CD2 3.65Å; F17-P71 WeakPolarHBondContact O-CA 3.38Å; F17-F72 HydrophobicContact CB-CD1 3.96Å; F17-F72 HydrophobicContact CB-CD2 3.68Å; F17-F72 HydrophobicContact CB-CE1 3.61Å; F17-F72 HydrophobicContact CB-CE2 3.34Å; F17-F72 HydrophobicContact CB-CG 3.98Å; F17-F72 HydrophobicContact CB-CZ 3.28Å; F17-F72 AromaticContact CD1-CE2 3.71Å; F17-F72 HydrophobicContact CD1-CE2 3.71Å; F17-F72 AromaticContact CD1-CZ 3.7Å; F17-F72 HydrophobicContact CD1-CZ 3.7Å; F17-F72 AromaticContact CD2-CD2 3.62Å; F17-F72 HydrophobicContact CD2-CD2 3.62Å; F17-F72 AromaticContact CD2-CE2 3.27Å; F17-F72 HydrophobicContact CD2-CE2 3.27Å; F17-F72 HydrophobicContact CD2-CZ 4.06Å; F17-F72 HydrophobicContact CE1-CE2 4.32Å; F17-F72 HydrophobicContact CE2-CD2 4.47Å; F17-F72 AromaticContact CE2-CE2 3.96Å; F17-F72 HydrophobicContact CE2-CE2 3.96Å; F17-F72 AromaticContact CG-CD2 3.78Å; F17-F72 HydrophobicContact CG-CD2 3.78Å; F17-F72 HydrophobicContact CG-CE1 4.25Å; F17-F72 AromaticContact CG-CE2 3.13Å; F17-F72 HydrophobicContact CG-CE2 3.13Å; F17-F72 AromaticContact CG-CZ 3.4Å; F17-F72 HydrophobicContact CG-CZ 3.4Å; F17-F72 VanDerWaalsContact CG-CZ 3.4Å; F17-F72 HydrophobicContact CZ-CE2 4.43Å; F17-F72 PolarHBondContact N-O 3.09Å; F17-F72 PolarHBondContact O-N 2.74Å; F17-V74 HydrophobicContact CD2-CG2 4.37Å; F17-V74 HydrophobicContact CE2-CB 4.22Å; F17-V74 HydrophobicContact CE2-CG2 3.68Å
18V96.7Very high90.9Very high2 Ų256.6 Ų56.61%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-116.4159.4-176-59.90000110.6L16 A20 I27 C33 V49 T50 T51 V52L16-V18 HydrophobicContact CD2-CG1 3.74Å; L16-V18 HydrophobicContact CG-CG1 3.75Å; V18-A20 PolarHBondContact O-N 2.75Å; V18-I27 HydrophobicContact CG2-CD1 3.66Å; V18-C33 HydrophobicContact CB-CB 3.89Å; V18-C33 HydrophobicContact CG1-CB 3.85Å; V18-V49 HydrophobicContact CG1-CG1 4.12Å; V18-V49 HydrophobicContact CG2-CG1 3.58Å; V18-T50 PolarHBondContact N-O 3.01Å; V18-T51 HydrophobicContact CG2-CG2 3.9Å; V18-T51 CarbonylContact O-C 3.58Å; V18-T51 WeakPolarHBondContact O-CA 3.23Å; V18-V52 PolarHBondContact O-N 3.44Å
19K95.3Very high92.9Very high74 Ų7450.5 Ų50.532%0.32227%0.272SS..EExtended strand (participates in β ladder)trans-66.5131.9177.2-176.6-175.4168.7-166.40109.9G28 C30 M54 P70K19-G28 WeakPolarHBondContact O-CA 3.31Å; K19-G28 PolarHBondContact O-N 3.29Å; K19-C30 HydrophobicContact CB-CB 4Å; K19-C30 HydrophobicContact CD-CB 4.37Å; K19-M54 HydrophobicContact CG-CG 4.28Å; K19-P70 HydrophobicContact CB-CB 4.35Å
20A95.4Very high94.4Very high8 Ų845.5 Ų45.57%0.06625%0.25CS..BIsolated β-bridgetrans-73.7153.8171.600000112.4V18 S26 V52 D53V18-A20 PolarHBondContact O-N 2.75Å; A20-S26 CarbonylContact C-O 3.45Å; A20-S26 VanDerWaalsContact CA-O 3.3Å; A20-S26 WeakPolarHBondContact CA-O 3.27Å; A20-V52 VanDerWaalsContact CB-C 3.49Å; A20-V52 WeakPolarHBondContact CB-O 3.44Å; A20-V52 PolarHBondContact N-O 3.28Å; A20-D53 HydrophobicContact CB-CB 4.37Å
21G95.3Very high95.1Very high9 Ų940 Ų409%0.09322%0.217CC..  trans-72.8-173.6171.800000112.6D23 G24 S26 E234G21-D23 PolarHBondContact O-N 3.07Å; G21-G24 PolarHBondContact O-N 2.76Å; G21-S26 PolarHBondContact N-O 3.29Å; G21-E234 VanDerWaalsContact CA-OE2 3.31Å; G21-E234 WeakPolarHBondContact CA-OE2 3.47Å
22S93.4Very high95.6Very high86 Ų8640.6 Ų40.660%0.60122%0.217SC*.THydrogen-bonded Turntrans-65.9-20.1-176.662.50000114.6G24 E234S22-G24 VanDerWaalsContact C-N 3.35Å; S22-E234 WeakPolarHBondContact CB-OE1 3.4Å; S22-E234 VanDerWaalsContact N-CD 3.28Å; S22-E234 PolarHBondContact N-OE1 3.31Å; S22-E234 PolarHBondContact N-OE2 3.01Å; S22-E234 PolarHBondContact OG-OE1 2.82Å
23D92.9Very high95.8Very high86 Ų8640.1 Ų40.146%0.4621%0.214SC..THydrogen-bonded Turntrans-81.8-12.2172.256.710.6000113.4G21 E25 S26G21-D23 PolarHBondContact O-N 3.07Å; D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact OD1-N 2.71Å; D23-S26 VanDerWaalsContact CG-OG 3.24Å; D23-S26 WeakPolarHBondContact OD1-CB 3.41Å; D23-S26 PolarHBondContact OD1-N 3.1Å; D23-S26 PolarHBondContact OD1-OG 2.86Å; D23-S26 VanDerWaalsContact OD2-CB 3.31Å; D23-S26 WeakPolarHBondContact OD2-CB 3.33Å; D23-S26 PolarHBondContact OD2-OG 2.94Å; D23-S26 VanDerWaalsContact OD2-OG 3.07Å
24G91Very high95.8Very high12 Ų1234.5 Ų34.512%0.12419%0.187CC..SBendtrans79.44-175.600000114.8G21 S22G21-G24 PolarHBondContact O-N 2.76Å; S22-G24 VanDerWaalsContact C-N 3.35Å
25E90.9Very high95.8Very high156 Ų15635.4 Ų35.473%0.72919%0.191SC*.SBendtrans-126.8-37.5-175.3-66-176.5178.900113.1D23 T51D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact OD1-N 2.71Å; E25-T51 WeakPolarHBondContact O-CG2 3.39Å; E25-T51 PolarHBondContact O-OG1 2.88Å; E25-T51 VanDerWaalsContact O-OG1 3.07Å
26S94.4Very high95.9Very high34 Ų3432.4 Ų32.424%0.23818%0.177CC..SBendtrans-75168.3-179.8620000112.5A20 G21 D23 G28A20-S26 CarbonylContact C-O 3.45Å; A20-S26 VanDerWaalsContact CA-O 3.3Å; A20-S26 WeakPolarHBondContact CA-O 3.27Å; G21-S26 PolarHBondContact N-O 3.29Å; D23-S26 VanDerWaalsContact CG-OG 3.24Å; D23-S26 WeakPolarHBondContact OD1-CB 3.41Å; D23-S26 PolarHBondContact OD1-N 3.1Å; D23-S26 PolarHBondContact OD1-OG 2.86Å; D23-S26 VanDerWaalsContact OD2-CB 3.31Å; D23-S26 WeakPolarHBondContact OD2-CB 3.33Å; D23-S26 PolarHBondContact OD2-OG 2.94Å; D23-S26 VanDerWaalsContact OD2-OG 3.07Å; S26-G28 PolarHBondContact O-N 3.38Å
27I96.3Very high95.9Very high46 Ų4633.6 Ų33.624%0.23618%0.182CC..BIsolated β-bridgetrans-68.4118.5171.4-58.6-56000109.7V18 V49 T51 P230V18-I27 HydrophobicContact CG2-CD1 3.66Å; I27-V49 HydrophobicContact CD1-CG1 4.15Å; I27-T51 HydrophobicContact CD1-CG2 3.71Å; I27-P230 HydrophobicContact CG2-CB 4.36Å; I27-P230 WeakPolarHBondContact O-CB 3.41Å
28G96.6Very high96Very high3 Ų333.3 Ų33.33%0.03118%0.18CC..PPolyproline II helixtrans-84.8161177.300000113.4K19 S26 C30K19-G28 WeakPolarHBondContact O-CA 3.31Å; K19-G28 PolarHBondContact O-N 3.29Å; S26-G28 PolarHBondContact O-N 3.38Å; G28-C30 PolarHBondContact O-N 2.84Å
29N97.1Very high96.1Very high11 Ų1133.2 Ų33.26%0.05918%0.18CC..SBendtrans-65.6107176.2177.131000112I192 E234 I235 T238N29-I192 VanDerWaalsContact OD1-CD1 3.23Å; N29-I192 WeakPolarHBondContact OD1-CD1 3.33Å; N29-I192 WeakPolarHBondContact OD1-CG1 3.1Å; N29-E234 HydrophobicContact CB-CB 4.49Å; N29-I235 HydrophobicContact CB-CG1 4.25Å; N29-T238 WeakPolarHBondContact CB-OG1 3.38Å; N29-T238 VanDerWaalsContact ND2-CB 3.27Å; N29-T238 WeakPolarHBondContact ND2-CB 3.04Å; N29-T238 WeakPolarHBondContact ND2-CG2 3.4Å; N29-T238 PolarHBondContact ND2-OG1 3.36Å
30C97.1Very high96.3Very high16 Ų1629.7 Ų29.711%0.10816%0.164CC..  trans-155.7100.4176.21720000109.5K19 G28 F32 C33 Q34K19-C30 HydrophobicContact CB-CB 4Å; K19-C30 HydrophobicContact CD-CB 4.37Å; G28-C30 PolarHBondContact O-N 2.84Å; C30-F32 PolarHBondContact O-N 3.41Å; C30-C33 HydrophobicContact CB-CB 3.6Å; C30-C33 WeakPolarHBondContact CB-SG 3.21Å; C30-C33 WeakPolarHBondContact O-CB 3.35Å; C30-C33 PolarHBondContact O-N 2.9Å; C30-C33 VanDerWaalsContact O-N 3.08Å; C30-C33 WeakPolarHBondContact SG-CB 3.48Å; C30-C33 PolarHBondContact SG-N 3.18Å; C30-C33 CovalentContact SG-SG 2.06Å; C30-C33 PolarHBondContact SG-SG 3.14Å; C30-Q34 PolarHBondContact O-N 3.25Å; C30-Q34 VanDerWaalsContact O-N 3.07Å
31P96.8Very high96.4Very high15 Ų1532.7 Ų32.710%0.09717%0.174CC..Hα-helixtrans-64.2-27.4-175.822.9-31.5000113.1R35 P188 K189 I192P31-R35 WeakPolarHBondContact O-CB 3.34Å; P31-R35 PolarHBondContact O-N 2.94Å; P31-P188 HydrophobicContact CB-CB 3.87Å; P31-K189 HydrophobicContact CB-CG 4.25Å; P31-I192 HydrophobicContact CB-CD1 3.69Å; P31-I192 HydrophobicContact CG-CD1 3.7Å
32F96.8Very high96.6Very high78 Ų7833.5 Ų33.534%0.34218%0.176SC..Hα-helixtrans-74.3-33.5176.3-49.7-66000112.5C30 L36 P71 F83C30-F32 PolarHBondContact O-N 3.41Å; F32-L36 PolarHBondContact O-N 2.62Å; F32-P71 HydrophobicContact CB-CG 4.03Å; F32-F83 HydrophobicContact CB-CD1 4.47Å; F32-F83 HydrophobicContact CB-CD2 4.49Å; F32-F83 HydrophobicContact CB-CG 4.25Å; F32-F83 HydrophobicContact CD1-CD1 4.35Å; F32-F83 HydrophobicContact CD1-CD2 4.1Å; F32-F83 HydrophobicContact CD1-CE1 4.02Å; F32-F83 AromaticContact CD1-CE2 3.75Å; F32-F83 HydrophobicContact CD1-CE2 3.75Å; F32-F83 HydrophobicContact CD1-CG 4.39Å; F32-F83 AromaticContact CD1-CZ 3.71Å; F32-F83 HydrophobicContact CD1-CZ 3.71Å; F32-F83 HydrophobicContact CE1-CE1 4.23Å; F32-F83 HydrophobicContact CE1-CE2 4.18Å; F32-F83 AromaticContact CE1-CZ 3.79Å; F32-F83 HydrophobicContact CE1-CZ 3.79Å; F32-F83 HydrophobicContact CG-CD1 4.39Å; F32-F83 HydrophobicContact CG-CE1 4.38Å; F32-F83 HydrophobicContact CG-CZ 4.49Å
33C97.9Very high96.8Very high3 Ų329.5 Ų29.52%0.0215%0.148CC..Hα-helixtrans-68.4-47.5175.5-530000109.8V18 C30 R35 L36 F37 P71V18-C33 HydrophobicContact CB-CB 3.89Å; V18-C33 HydrophobicContact CG1-CB 3.85Å; C30-C33 HydrophobicContact CB-CB 3.6Å; C30-C33 WeakPolarHBondContact CB-SG 3.21Å; C30-C33 WeakPolarHBondContact O-CB 3.35Å; C30-C33 PolarHBondContact O-N 2.9Å; C30-C33 VanDerWaalsContact O-N 3.08Å; C30-C33 WeakPolarHBondContact SG-CB 3.48Å; C30-C33 PolarHBondContact SG-N 3.18Å; C30-C33 CovalentContact SG-SG 2.06Å; C30-C33 PolarHBondContact SG-SG 3.14Å; C33-R35 VanDerWaalsContact C-N 3.33Å; C33-R35 PolarHBondContact O-N 3.05Å; C33-L36 PolarHBondContact O-N 3.35Å; C33-F37 PolarHBondContact O-N 3.22Å; C33-P71 HydrophobicContact CB-CB 4.27Å
34Q98.5Very high97Very high7 Ų728.5 Ų28.53%0.03316%0.158CC..Hα-helixtrans-59.8-42.3175-174.2176.36.100111.7C30 L36 F37 M38 P188 F225 T228 C229C30-Q34 PolarHBondContact O-N 3.25Å; C30-Q34 VanDerWaalsContact O-N 3.07Å; Q34-L36 PolarHBondContact O-N 3.03Å; Q34-F37 WeakPolarHBondContact O-CB 3.4Å; Q34-F37 PolarHBondContact O-N 3.39Å; Q34-F37 VanDerWaalsContact O-N 3.16Å; Q34-M38 HydrophobicContact CG-CG 4.32Å; Q34-M38 HydrophobicContact CG-SD 4.32Å; Q34-M38 VanDerWaalsContact O-CG 3.31Å; Q34-M38 WeakPolarHBondContact O-CG 3.25Å; Q34-M38 PolarHBondContact O-N 3.06Å; Q34-P188 HydrophobicContact CB-CB 4.03Å; Q34-P188 HydrophobicContact CB-CG 4Å; Q34-P188 HydrophobicContact CG-CB 4.13Å; Q34-P188 HydrophobicContact CG-CG 3.79Å; Q34-F225 PolarHBondContact NE2-O 3.02Å; Q34-T228 VanDerWaalsContact CG-O 3.31Å; Q34-T228 WeakPolarHBondContact CG-O 3.48Å; Q34-T228 WeakPolarHBondContact CG-OG1 3.45Å; Q34-T228 PolarHBondContact NE2-OG1 3.05Å; Q34-C229 PolarHBondContact NE2-SG 2.86Å
35R98.3Very high97.3Very high28 Ų2828.4 Ų28.411%0.10616%0.155CC..Hα-helixtrans-52.6-51.6175.3175.7176.1-174.1174.9-2.1112.4P31 C33 F37 M38 I39 E87 C184 S185P31-R35 WeakPolarHBondContact O-CB 3.34Å; P31-R35 PolarHBondContact O-N 2.94Å; C33-R35 VanDerWaalsContact C-N 3.33Å; C33-R35 PolarHBondContact O-N 3.05Å; R35-F37 VanDerWaalsContact C-N 3.33Å; R35-M38 PolarHBondContact O-N 3.23Å; R35-I39 HydrophobicContact CG-CD1 4.02Å; R35-I39 WeakPolarHBondContact O-CD1 3.35Å; R35-I39 VanDerWaalsContact O-CG1 3.26Å; R35-I39 WeakPolarHBondContact O-CG1 3.35Å; R35-I39 PolarHBondContact O-N 3.46Å; R35-I39 VanDerWaalsContact O-N 3.1Å; R35-E87 IonicContact CZ-OE1 3.63Å; R35-E87 IonicContact CZ-OE2 2.8Å; R35-E87 IonicContact NE-OE1 2.93Å; R35-E87 IonicContact NE-OE2 2.77Å; R35-E87 PolarHBondContact NE-OE2 3.19Å; R35-E87 IonicContact NH2-OE1 3.53Å; R35-E87 PolarHBondContact NH2-OE1 3.35Å; R35-E87 IonicContact NH2-OE2 2.53Å; R35-E87 PolarHBondContact NH2-OE2 3.37Å; R35-C184 VanDerWaalsContact CB-O 3.31Å; R35-C184 WeakPolarHBondContact CB-O 3.41Å; R35-C184 HydrophobicContact CG-CB 4.14Å; R35-C184 WeakPolarHBondContact CG-O 3.32Å; R35-S185 PolarHBondContact NH1-OG 3.25Å
36L98.7Very high97.6Very high0 Ų028.2 Ų28.20%015%0.152CC..Hα-helixtrans-67.8-33.9179.3-70177.3000112.6L16 F32 C33 Q34 I39 L40 P71 F83 I86 E87 L90L16-L36 HydrophobicContact CD1-CB 3.98Å; L16-L36 HydrophobicContact CD1-CD1 4.26Å; L16-L36 HydrophobicContact CD2-CB 4.31Å; F32-L36 PolarHBondContact O-N 2.62Å; C33-L36 PolarHBondContact O-N 3.35Å; Q34-L36 PolarHBondContact O-N 3.03Å; L36-I39 HydrophobicContact CD2-CD1 4.22Å; L36-I39 PolarHBondContact O-N 3.46Å; L36-L40 PolarHBondContact O-N 3.41Å; L36-L40 VanDerWaalsContact O-N 3.08Å; L36-P71 HydrophobicContact CD1-CB 3.88Å; L36-P71 HydrophobicContact CD1-CG 3.97Å; L36-F83 HydrophobicContact CD1-CB 4.08Å; L36-I86 HydrophobicContact CD1-CB 4.19Å; L36-I86 HydrophobicContact CD1-CD1 4.13Å; L36-I86 HydrophobicContact CD1-CG2 3.91Å; L36-I86 HydrophobicContact CD2-CB 4.22Å; L36-I86 HydrophobicContact CD2-CG2 3.82Å; L36-E87 HydrophobicContact CD2-CB 4.22Å; L36-L90 HydrophobicContact CD2-CD1 4.36Å
37F98.7Very high97.8Very high25 Ų2528.7 Ų28.711%0.1115%0.15CC..Hα-helixtrans-62.4-49.1174.4-164170.6000110.7L16 C33 Q34 R35 I39 L40 W41 F47 V49 T228L16-F37 HydrophobicContact CD2-CB 3.84Å; L16-F37 HydrophobicContact CD2-CG 4.34Å; C33-F37 PolarHBondContact O-N 3.22Å; Q34-F37 WeakPolarHBondContact O-CB 3.4Å; Q34-F37 PolarHBondContact O-N 3.39Å; Q34-F37 VanDerWaalsContact O-N 3.16Å; R35-F37 VanDerWaalsContact C-N 3.33Å; F37-I39 VanDerWaalsContact C-N 3.29Å; F37-I39 PolarHBondContact O-N 3.14Å; F37-L40 PolarHBondContact O-N 3.43Å; F37-W41 HydrophobicContact CD2-CE3 4.26Å; F37-W41 AromaticContact CE2-CE3 3.74Å; F37-W41 HydrophobicContact CE2-CE3 3.74Å; F37-W41 HydrophobicContact CE2-CZ3 4.06Å; F37-W41 HydrophobicContact CZ-CE3 4.38Å; F37-W41 HydrophobicContact CZ-CZ3 4.25Å; F37-W41 PolarHBondContact O-N 3.37Å; F37-F47 AromaticContact CD2-CE2 3.58Å; F37-F47 HydrophobicContact CD2-CE2 3.58Å; F37-F47 AromaticContact CD2-CZ 3.58Å; F37-F47 HydrophobicContact CD2-CZ 3.58Å; F37-F47 AromaticContact CE2-CE2 3.62Å; F37-F47 HydrophobicContact CE2-CE2 3.62Å; F37-F47 AromaticContact CE2-CZ 3.54Å; F37-F47 HydrophobicContact CE2-CZ 3.54Å; F37-V49 HydrophobicContact CD1-CG2 4.44Å; F37-V49 HydrophobicContact CD2-CG2 4.15Å; F37-V49 HydrophobicContact CE1-CG1 4.36Å; F37-V49 HydrophobicContact CE1-CG2 4.09Å; F37-V49 HydrophobicContact CE2-CG2 3.8Å; F37-V49 HydrophobicContact CG-CG2 4.48Å; F37-V49 HydrophobicContact CZ-CG2 3.76Å; F37-T228 HydrophobicContact CB-CG2 4.15Å; F37-T228 HydrophobicContact CD1-CG2 3.81Å; F37-T228 HydrophobicContact CD2-CG2 3.74Å; F37-T228 HydrophobicContact CE1-CG2 4.08Å; F37-T228 HydrophobicContact CE2-CG2 4.01Å; F37-T228 HydrophobicContact CG-CG2 3.62Å; F37-T228 HydrophobicContact CZ-CG2 4.17Å
38M98.8Very high97.9Very high0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-56.5-43.3175.3-67.1-179.169.200111.9Q34 R35 W41 L42 C184 L187 P188 E224 F225 T228Q34-M38 HydrophobicContact CG-CG 4.32Å; Q34-M38 HydrophobicContact CG-SD 4.32Å; Q34-M38 VanDerWaalsContact O-CG 3.31Å; Q34-M38 WeakPolarHBondContact O-CG 3.25Å; Q34-M38 PolarHBondContact O-N 3.06Å; R35-M38 PolarHBondContact O-N 3.23Å; M38-W41 PolarHBondContact O-N 2.78Å; M38-L42 WeakPolarHBondContact O-CB 3.46Å; M38-L42 VanDerWaalsContact O-CG 3.3Å; M38-L42 WeakPolarHBondContact O-CG 3.28Å; M38-L42 PolarHBondContact O-N 2.75Å; M38-C184 HydrophobicContact CB-CB 4.28Å; M38-L187 HydrophobicContact CE-CB 4.45Å; M38-L187 HydrophobicContact CE-CD1 3.92Å; M38-P188 HydrophobicContact SD-CG 3.93Å; M38-E224 WeakPolarHBondContact CG-O 3.48Å; M38-F225 HydrophobicContact CE-CB 3.92Å; M38-F225 HydrophobicContact CE-CD2 4.07Å; M38-F225 HydrophobicContact CE-CG 4.42Å; M38-F225 HydrophobicContact SD-CD2 4.06Å; M38-T228 HydrophobicContact CG-CG2 4.31Å; M38-T228 WeakPolarHBondContact CG-OG1 3.44Å
39I98.8Very high97.9Very high0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-60.5-50.1179.5-69.3164000111.1R35 L36 F37 W41 L42 K43 E87 L90 L102 L181 C184R35-I39 HydrophobicContact CG-CD1 4.02Å; R35-I39 WeakPolarHBondContact O-CD1 3.35Å; R35-I39 VanDerWaalsContact O-CG1 3.26Å; R35-I39 WeakPolarHBondContact O-CG1 3.35Å; R35-I39 PolarHBondContact O-N 3.46Å; R35-I39 VanDerWaalsContact O-N 3.1Å; L36-I39 HydrophobicContact CD2-CD1 4.22Å; L36-I39 PolarHBondContact O-N 3.46Å; F37-I39 VanDerWaalsContact C-N 3.29Å; F37-I39 PolarHBondContact O-N 3.14Å; I39-W41 VanDerWaalsContact C-N 3.3Å; I39-W41 PolarHBondContact O-N 3.33Å; I39-L42 PolarHBondContact O-N 2.84Å; I39-K43 HydrophobicContact CG2-CG 4.46Å; I39-K43 VanDerWaalsContact O-CG 3.26Å; I39-K43 WeakPolarHBondContact O-CG 3.27Å; I39-K43 PolarHBondContact O-N 3.24Å; I39-E87 HydrophobicContact CD1-CB 4.31Å; I39-E87 HydrophobicContact CD1-CG 3.87Å; I39-E87 VanDerWaalsContact CD1-OE2 3.3Å; I39-E87 WeakPolarHBondContact CD1-OE2 3.18Å; I39-L90 HydrophobicContact CG2-CB 4.37Å; I39-L90 HydrophobicContact CG2-CD1 4.16Å; I39-L102 HydrophobicContact CG2-CD1 4.34Å; I39-L181 HydrophobicContact CD1-CD2 3.73Å; I39-L181 HydrophobicContact CG1-CD2 3.65Å; I39-L181 HydrophobicContact CG2-CD2 4.3Å; I39-C184 HydrophobicContact CD1-CB 4.4Å; I39-C184 HydrophobicContact CG1-CB 3.96Å
40L98.6Very high97.8Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-62.1-39179-72.7171.7000112.1I14 L16 L36 F37 K43 G44 V45 F47 L73 L90 L94I14-L40 HydrophobicContact CD1-CD2 4.16Å; I14-L40 HydrophobicContact CG2-CD1 4.11Å; I14-L40 HydrophobicContact CG2-CD2 4.02Å; L16-L40 HydrophobicContact CB-CD1 3.91Å; L16-L40 HydrophobicContact CD2-CD1 4.13Å; L16-L40 HydrophobicContact CG-CD1 4.43Å; L36-L40 PolarHBondContact O-N 3.41Å; L36-L40 VanDerWaalsContact O-N 3.08Å; F37-L40 PolarHBondContact O-N 3.43Å; L40-K43 PolarHBondContact O-N 3.17Å; L40-G44 PolarHBondContact O-N 3.35Å; L40-V45 HydrophobicContact CD2-CG1 3.91Å; L40-F47 HydrophobicContact CB-CD1 3.77Å; L40-F47 HydrophobicContact CB-CD2 4.11Å; L40-F47 HydrophobicContact CB-CE1 3.63Å; L40-F47 HydrophobicContact CB-CE2 3.95Å; L40-F47 HydrophobicContact CB-CG 4.02Å; L40-F47 HydrophobicContact CB-CZ 3.71Å; L40-F47 HydrophobicContact CD1-CB 4.35Å; L40-F47 HydrophobicContact CD1-CD2 3.68Å; L40-F47 HydrophobicContact CD1-CE2 4.04Å; L40-F47 HydrophobicContact CD1-CG 3.96Å; L40-F47 HydrophobicContact CG-CG 4.49Å; L40-L73 HydrophobicContact CD1-CD1 4.01Å; L40-L90 HydrophobicContact CD2-CD1 3.85Å; L40-L90 HydrophobicContact CD2-CD2 3.7Å; L40-L90 HydrophobicContact CD2-CG 4.42Å; L40-L90 HydrophobicContact CG-CD1 4.07Å; L40-L94 HydrophobicContact CD2-CD1 4.34Å
41W98.6Very high97.7Very high71 Ų7137 Ų3727%0.26920%0.198SC..Hα-helixtrans-62.7-50.3175.6-158.6-43.3000111.4F37 M38 I39 K43 G44 E223 E224 H227 T228F37-W41 HydrophobicContact CD2-CE3 4.26Å; F37-W41 AromaticContact CE2-CE3 3.74Å; F37-W41 HydrophobicContact CE2-CE3 3.74Å; F37-W41 HydrophobicContact CE2-CZ3 4.06Å; F37-W41 HydrophobicContact CZ-CE3 4.38Å; F37-W41 HydrophobicContact CZ-CZ3 4.25Å; F37-W41 PolarHBondContact O-N 3.37Å; M38-W41 PolarHBondContact O-N 2.78Å; I39-W41 VanDerWaalsContact C-N 3.3Å; I39-W41 PolarHBondContact O-N 3.33Å; W41-K43 VanDerWaalsContact C-N 3.26Å; W41-K43 PolarHBondContact O-N 3.41Å; W41-G44 PolarHBondContact O-N 2.63Å; W41-E223 HydrophobicContact CZ2-CG 4.24Å; W41-E224 HydrophobicContact CD2-CG 4.46Å; W41-E224 HydrophobicContact CG-CB 4.3Å; W41-E224 HydrophobicContact CG-CG 3.96Å; W41-H227 HydrophobicContact CH2-CB 3.56Å; W41-H227 AromaticContact CH2-ND1 3.87Å; W41-H227 HydrophobicContact CZ3-CB 3.8Å; W41-T228 HydrophobicContact CE3-CG2 3.64Å; W41-T228 HydrophobicContact CZ3-CG2 3.92Å
42L98.6Very high97.5Very high26 Ų2636.5 Ų36.514%0.13620%0.195CC..Hα-helixtrans-64.1-29.8178.8-71.4170.9000112.8M38 I39 G44 P100 L102 L179 C184 E224M38-L42 WeakPolarHBondContact O-CB 3.46Å; M38-L42 VanDerWaalsContact O-CG 3.3Å; M38-L42 WeakPolarHBondContact O-CG 3.28Å; M38-L42 PolarHBondContact O-N 2.75Å; I39-L42 PolarHBondContact O-N 2.84Å; L42-G44 PolarHBondContact O-N 2.94Å; L42-P100 WeakPolarHBondContact O-CG 3.47Å; L42-L102 HydrophobicContact CB-CD1 3.71Å; L42-L102 HydrophobicContact CB-CD2 4.06Å; L42-L102 HydrophobicContact CD1-CD1 4.45Å; L42-L179 HydrophobicContact CD1-CB 3.76Å; L42-L179 HydrophobicContact CD1-CD1 4.44Å; L42-L179 HydrophobicContact CD2-CB 3.95Å; L42-L179 HydrophobicContact CD2-CD1 3.93Å; L42-C184 VanDerWaalsContact CD1-SG 3.52Å; L42-E224 HydrophobicContact CD2-CB 4.18Å; L42-E224 HydrophobicContact CD2-CG 3.91Å; L42-E224 HydrophobicContact CG-CB 4.43Å; L42-E224 HydrophobicContact CG-CG 4.46Å
43K98.1Very high97.2Very high3 Ų333.6 Ų33.61%0.01318%0.183CC..Hα-helixtrans-66.6-20.1171.8-72.3-67.3-176.6179.80112.6I39 L40 W41 V45 E91 L94 Y99 P100 L102I39-K43 HydrophobicContact CG2-CG 4.46Å; I39-K43 VanDerWaalsContact O-CG 3.26Å; I39-K43 WeakPolarHBondContact O-CG 3.27Å; I39-K43 PolarHBondContact O-N 3.24Å; L40-K43 PolarHBondContact O-N 3.17Å; W41-K43 VanDerWaalsContact C-N 3.26Å; W41-K43 PolarHBondContact O-N 3.41Å; K43-V45 HydrophobicContact CB-CG1 4.3Å; K43-V45 PolarHBondContact O-N 3Å; K43-E91 WeakPolarHBondContact CE-OE2 3.41Å; K43-E91 VanDerWaalsContact NZ-CD 3.27Å; K43-E91 IonicContact NZ-OE1 3.63Å; K43-E91 PolarHBondContact NZ-OE1 2.93Å; K43-E91 IonicContact NZ-OE2 2.59Å; K43-E91 PolarHBondContact NZ-OE2 3.08Å; K43-L94 HydrophobicContact CB-CD1 4.1Å; K43-L94 HydrophobicContact CD-CB 3.84Å; K43-L94 WeakPolarHBondContact CD-O 3.44Å; K43-L94 WeakPolarHBondContact CE-O 3.32Å; K43-L94 HydrophobicContact CG-CB 4.22Å; K43-L94 HydrophobicContact CG-CD1 4.04Å; K43-L94 PolarHBondContact NZ-O 2.89Å; K43-Y99 WeakPolarHBondContact O-CD1 3.2Å; K43-P100 PolarHBondContact NZ-O 3.35Å; K43-P100 WeakPolarHBondContact O-CD 3.36Å; K43-L102 HydrophobicContact CD-CD1 4.04Å; K43-L102 HydrophobicContact CD-CG 4.33Å; K43-L102 HydrophobicContact CG-CD1 4.05Å
44G97.2Very high96.5Very high65 Ų6536.6 Ų36.667%0.6720%0.197SC*.THydrogen-bonded Turntrans66.620.6-178.300000113.5L40 W41 L42L40-G44 PolarHBondContact O-N 3.35Å; W41-G44 PolarHBondContact O-N 2.63Å; L42-G44 PolarHBondContact O-N 2.94Å
45V96.8Very high95.9Very high10 Ų1042.1 Ų42.16%0.06123%0.231CC..  trans-84.4152.6175.969.10000109.7P12 I14 L40 K43 F47 L94 Y99P12-V45 HydrophobicContact CG-CG2 3.91Å; I14-V45 HydrophobicContact CD1-CB 4.39Å; I14-V45 HydrophobicContact CD1-CG1 3.79Å; I14-V45 HydrophobicContact CD1-CG2 3.69Å; L40-V45 HydrophobicContact CD2-CG1 3.91Å; K43-V45 HydrophobicContact CB-CG1 4.3Å; K43-V45 PolarHBondContact O-N 3Å; V45-F47 HydrophobicContact CG1-CD1 4.43Å; V45-F47 WeakPolarHBondContact O-CD1 3.45Å; V45-L94 HydrophobicContact CB-CD1 4.25Å; V45-L94 HydrophobicContact CG1-CD1 3.83Å; V45-L94 HydrophobicContact CG2-CD2 4.36Å; V45-Y99 HydrophobicContact CB-CD1 4.48Å; V45-Y99 HydrophobicContact CB-CE1 3.88Å; V45-Y99 HydrophobicContact CG2-CE1 4.01Å
46K97.3Very high94.9Very high151 Ų15148.5 Ų48.566%0.65726%0.255SS*.  trans-76.2132.8170.1-66.1177-175.7162.90109.6D11D11-K46 IonicContact OD2-NZ 2.75Å
47F98.2Very high93.6Very high44 Ų4453.1 Ų53.119%0.19328%0.276CS..  trans-153.7159.4175.867-76.3000110.2I14 F37 L40 V45 V49I14-F47 HydrophobicContact CB-CB 3.72Å; I14-F47 HydrophobicContact CG2-CB 3.77Å; I14-F47 CarbonylContact O-C 3.51Å; I14-F47 VanDerWaalsContact O-CA 3.26Å; I14-F47 WeakPolarHBondContact O-CA 3.31Å; F37-F47 AromaticContact CD2-CE2 3.58Å; F37-F47 HydrophobicContact CD2-CE2 3.58Å; F37-F47 AromaticContact CD2-CZ 3.58Å; F37-F47 HydrophobicContact CD2-CZ 3.58Å; F37-F47 AromaticContact CE2-CE2 3.62Å; F37-F47 HydrophobicContact CE2-CE2 3.62Å; F37-F47 AromaticContact CE2-CZ 3.54Å; F37-F47 HydrophobicContact CE2-CZ 3.54Å; L40-F47 HydrophobicContact CB-CD1 3.77Å; L40-F47 HydrophobicContact CB-CD2 4.11Å; L40-F47 HydrophobicContact CB-CE1 3.63Å; L40-F47 HydrophobicContact CB-CE2 3.95Å; L40-F47 HydrophobicContact CB-CG 4.02Å; L40-F47 HydrophobicContact CB-CZ 3.71Å; L40-F47 HydrophobicContact CD1-CB 4.35Å; L40-F47 HydrophobicContact CD1-CD2 3.68Å; L40-F47 HydrophobicContact CD1-CE2 4.04Å; L40-F47 HydrophobicContact CD1-CG 3.96Å; L40-F47 HydrophobicContact CG-CG 4.49Å; V45-F47 HydrophobicContact CG1-CD1 4.43Å; V45-F47 WeakPolarHBondContact O-CD1 3.45Å; F47-V49 HydrophobicContact CD2-CG2 3.81Å; F47-V49 HydrophobicContact CE2-CG2 3.43Å; F47-V49 VanDerWaalsContact CE2-CG2 3.43Å
48N97.9Very high92.1Very high113 Ų11354.5 Ų54.560%0.60429%0.287SS*.EExtended strand (participates in β ladder)trans-104.2154.4169.2-69-30.5000110.4I14 E15 L16I14-N48 PolarHBondContact O-N 3.02Å; E15-N48 WeakPolarHBondContact CA-O 3.2Å; E15-N48 HydrophobicContact CG-CB 4.23Å; L16-N48 PolarHBondContact N-O 3.09Å
49V97.5Very high90.8Very high49 Ų4960.5 Ų60.530%0.29732%0.315SS..EExtended strand (participates in β ladder)trans-119.6125.3172.4-179.20000108.6L16 V18 I27 F37 F47L16-V49 WeakPolarHBondContact O-CA 3.39Å; V18-V49 HydrophobicContact CG1-CG1 4.12Å; V18-V49 HydrophobicContact CG2-CG1 3.58Å; I27-V49 HydrophobicContact CD1-CG1 4.15Å; F37-V49 HydrophobicContact CD1-CG2 4.44Å; F37-V49 HydrophobicContact CD2-CG2 4.15Å; F37-V49 HydrophobicContact CE1-CG1 4.36Å; F37-V49 HydrophobicContact CE1-CG2 4.09Å; F37-V49 HydrophobicContact CE2-CG2 3.8Å; F37-V49 HydrophobicContact CG-CG2 4.48Å; F37-V49 HydrophobicContact CZ-CG2 3.76Å; F47-V49 HydrophobicContact CD2-CG2 3.81Å; F47-V49 HydrophobicContact CE2-CG2 3.43Å; F47-V49 VanDerWaalsContact CE2-CG2 3.43Å
50T95.4Very high89.4Confident49 Ų4968.3 Ų68.330%0.30135%0.352SS..EExtended strand (participates in β ladder)trans-118.9124.2178.2-65.90000109.4E15 L16 F17 V18E15-T50 WeakPolarHBondContact OE1-CB 3.3Å; E15-T50 PolarHBondContact OE1-OG1 2.9Å; L16-T50 PolarHBondContact O-N 2.94Å; F17-T50 VanDerWaalsContact CA-O 3.31Å; F17-T50 WeakPolarHBondContact CA-O 3.42Å; F17-T50 HydrophobicContact CD1-CG2 3.82Å; F17-T50 HydrophobicContact CE1-CG2 3.7Å; V18-T50 PolarHBondContact N-O 3.01Å
51T94.6Very high88.1Confident41 Ų4169.4 Ų69.425%0.25236%0.357SS..EExtended strand (participates in β ladder)trans-83.1134.7177.548.10000110.7V18 E25 I27V18-T51 HydrophobicContact CG2-CG2 3.9Å; V18-T51 CarbonylContact O-C 3.58Å; V18-T51 WeakPolarHBondContact O-CA 3.23Å; E25-T51 WeakPolarHBondContact O-CG2 3.39Å; E25-T51 PolarHBondContact O-OG1 2.88Å; E25-T51 VanDerWaalsContact O-OG1 3.07Å; I27-T51 HydrophobicContact CD1-CG2 3.71Å
52V92.4Very high86.8Confident4 Ų470.7 Ų70.72%0.02437%0.365CS..EExtended strand (participates in β ladder)trans-111.3110.5-177.7176.90000109.7F17 V18 A20 M54 L61 P70 F72F17-V52 HydrophobicContact CB-CG2 3.97Å; F17-V52 HydrophobicContact CD1-CG2 3.87Å; F17-V52 HydrophobicContact CG-CG2 4.42Å; V18-V52 PolarHBondContact O-N 3.44Å; A20-V52 VanDerWaalsContact CB-C 3.49Å; A20-V52 WeakPolarHBondContact CB-O 3.44Å; A20-V52 PolarHBondContact N-O 3.28Å; V52-M54 HydrophobicContact CG1-SD 3.89Å; V52-M54 PolarHBondContact O-N 3.01Å; V52-L61 HydrophobicContact CB-CD1 4Å; V52-L61 HydrophobicContact CG1-CD1 3.29Å; V52-L61 HydrophobicContact CG2-CD1 3.59Å; V52-P70 HydrophobicContact CB-CG 3.74Å; V52-P70 HydrophobicContact CG1-CG 3.98Å; V52-P70 HydrophobicContact CG2-CG 4.18Å; V52-F72 HydrophobicContact CG2-CE1 4.3Å; V52-F72 HydrophobicContact CG2-CZ 4.21Å
53D90.1Very high85.7Confident17 Ų1776.4 Ų76.49%0.09140%0.396CS..  trans-71.2108.9171-171.9-18.8000110.1A20 T55 R56 K57A20-D53 HydrophobicContact CB-CB 4.37Å; D53-T55 PolarHBondContact O-N 3.01Å; D53-T55 WeakPolarHBondContact OD1-CA 3.4Å; D53-T55 WeakPolarHBondContact OD1-CB 3.49Å; D53-T55 PolarHBondContact OD1-N 2.84Å; D53-T55 PolarHBondContact OD1-OG1 2.93Å; D53-T55 PolarHBondContact OD2-OG1 3.36Å; D53-R56 HydrophobicContact CB-CB 4.44Å; D53-R56 CarbonylContact O-C 3.51Å; D53-R56 VanDerWaalsContact O-C 3.27Å; D53-R56 PolarHBondContact O-N 3.44Å; D53-R56 PolarHBondContact OD1-N 3.22Å; D53-R56 IonicContact OD2-CZ 2.92Å; D53-R56 IonicContact OD2-NE 2.79Å; D53-R56 PolarHBondContact OD2-NE 2.76Å; D53-R56 IonicContact OD2-NH2 3.2Å; D53-R56 PolarHBondContact OD2-NH2 3.2Å; D53-K57 PolarHBondContact O-N 3.48Å
54M84.4Confident84.7Confident65 Ų6579.6 Ų79.632%0.3241%0.412SS..SBendtrans-72.8-13.6-179.7-62.5-56.6-66.800113.4K19 V52 N69 P70K19-M54 HydrophobicContact CG-CG 4.28Å; V52-M54 HydrophobicContact CG1-SD 3.89Å; V52-M54 PolarHBondContact O-N 3.01Å; M54-N69 HydrophobicContact CE-CB 4.13Å; M54-N69 WeakPolarHBondContact CE-OD1 3.42Å; M54-P70 WeakPolarHBondContact SD-CD 3.49Å; M54-P70 HydrophobicContact SD-CG 3.8Å
55T84.2Confident83.6Confident123 Ų12376.7 Ų76.776%0.75538%0.382SS*.SBendtrans-89.4-31.8176.173.60000112D53D53-T55 PolarHBondContact O-N 3.01Å; D53-T55 WeakPolarHBondContact OD1-CA 3.4Å; D53-T55 WeakPolarHBondContact OD1-CB 3.49Å; D53-T55 PolarHBondContact OD1-N 2.84Å; D53-T55 PolarHBondContact OD1-OG1 2.93Å; D53-T55 PolarHBondContact OD2-OG1 3.36Å
56R79.2Confident82.5Confident162 Ų16280.9 Ų80.961%0.61141%0.409SS*.SBendtrans-124.472.2179-64.2176.7-66.5170.8-0.1109.2D53 P58D53-R56 HydrophobicContact CB-CB 4.44Å; D53-R56 CarbonylContact O-C 3.51Å; D53-R56 VanDerWaalsContact O-C 3.27Å; D53-R56 PolarHBondContact O-N 3.44Å; D53-R56 PolarHBondContact OD1-N 3.22Å; D53-R56 IonicContact OD2-CZ 2.92Å; D53-R56 IonicContact OD2-NE 2.79Å; D53-R56 PolarHBondContact OD2-NE 2.76Å; D53-R56 IonicContact OD2-NH2 3.2Å; D53-R56 PolarHBondContact OD2-NH2 3.2Å; R56-P58 WeakPolarHBondContact O-CD 3.34Å
57K69.8Low81.4Confident98 Ų9877 Ų7743%0.42641%0.412SS..  trans-58.4112.8179.4-69.2-169.9176.9-167.70109.7D53D53-K57 PolarHBondContact O-N 3.48Å
58P68.3Low80.7Confident54 Ų5476.7 Ų76.735%0.35141%0.414SS..  trans-57.4142176.1-22.533.6000110.5R56 E60 L61R56-P58 WeakPolarHBondContact O-CD 3.34Å; P58-E60 PolarHBondContact O-N 3.12Å; P58-L61 HydrophobicContact CB-CG 4.32Å; P58-L61 HydrophobicContact CG-CD1 4.1Å; P58-L61 HydrophobicContact CG-CG 4.28Å; P58-L61 WeakPolarHBondContact O-CB 3.38Å; P58-L61 PolarHBondContact O-N 2.89Å; P58-L61 VanDerWaalsContact O-N 3.07Å
59E71.1Confident80.1Confident126 Ų12676 Ų7659%0.58941%0.411SS*.Hα-helixtrans-58.2-37177.2-69.1-63.1155.900111.4L61 K62E59-L61 PolarHBondContact O-N 3.36Å; E59-K62 VanDerWaalsContact O-CB 3.3Å; E59-K62 WeakPolarHBondContact O-CB 3.3Å; E59-K62 PolarHBondContact O-N 3.07Å; E59-K62 IonicContact OE1-NZ 2.71Å; E59-K62 PolarHBondContact OE1-NZ 3.15Å; E59-K62 VanDerWaalsContact OE2-CD 3.27Å; E59-K62 WeakPolarHBondContact OE2-CD 3.4Å; E59-K62 VanDerWaalsContact OE2-CE 3.25Å; E59-K62 WeakPolarHBondContact OE2-CE 3.48Å; E59-K62 IonicContact OE2-NZ 2.63Å; E59-K62 PolarHBondContact OE2-NZ 3.26Å
60E68.6Low79.8Confident164 Ų16474.7 Ų74.777%0.76640%0.403SS*.Hα-helixtrans-57.1-33.6176.2-64.4168.6-172.200112.9P58 K62 L64P58-E60 PolarHBondContact O-N 3.12Å; E60-K62 VanDerWaalsContact C-N 3.34Å; E60-L64 WeakPolarHBondContact O-CB 3.37Å; E60-L64 PolarHBondContact O-N 3.3Å; E60-L64 VanDerWaalsContact O-N 3.12Å
61L72.5Confident79.7Confident23 Ų2373 Ų7312%0.1239%0.393CS..Hα-helixtrans-74.7-23.4175.4-70-173.5000113.1F17 V52 P58 E59 D63 L64 A65 F72F17-L61 HydrophobicContact CD1-CD2 3.99Å; F17-L61 HydrophobicContact CE1-CD2 3.84Å; V52-L61 HydrophobicContact CB-CD1 4Å; V52-L61 HydrophobicContact CG1-CD1 3.29Å; V52-L61 HydrophobicContact CG2-CD1 3.59Å; P58-L61 HydrophobicContact CB-CG 4.32Å; P58-L61 HydrophobicContact CG-CD1 4.1Å; P58-L61 HydrophobicContact CG-CG 4.28Å; P58-L61 WeakPolarHBondContact O-CB 3.38Å; P58-L61 PolarHBondContact O-N 2.89Å; P58-L61 VanDerWaalsContact O-N 3.07Å; E59-L61 PolarHBondContact O-N 3.36Å; L61-D63 VanDerWaalsContact C-N 3.32Å; L61-L64 HydrophobicContact CD2-CD2 4.19Å; L61-A65 CarbonylContact O-C 3.54Å; L61-A65 PolarHBondContact O-N 2.91Å; L61-F72 HydrophobicContact CD2-CE2 4.41Å; L61-F72 HydrophobicContact CD2-CZ 3.9Å
62K71.2Confident79.8Confident97 Ų9771.2 Ų71.242%0.42238%0.382SS..Hα-helixtrans-68.3-37.2176.9-62.7-170.2-164.8157.80111.2E59 E60 P66E59-K62 VanDerWaalsContact O-CB 3.3Å; E59-K62 WeakPolarHBondContact O-CB 3.3Å; E59-K62 PolarHBondContact O-N 3.07Å; E59-K62 IonicContact OE1-NZ 2.71Å; E59-K62 PolarHBondContact OE1-NZ 3.15Å; E59-K62 VanDerWaalsContact OE2-CD 3.27Å; E59-K62 WeakPolarHBondContact OE2-CD 3.4Å; E59-K62 VanDerWaalsContact OE2-CE 3.25Å; E59-K62 WeakPolarHBondContact OE2-CE 3.48Å; E59-K62 IonicContact OE2-NZ 2.63Å; E59-K62 PolarHBondContact OE2-NZ 3.26Å; E60-K62 VanDerWaalsContact C-N 3.34Å; K62-P66 WeakPolarHBondContact O-CA 3.3Å; K62-P66 WeakPolarHBondContact O-CB 2.96Å; K62-P66 WeakPolarHBondContact O-CD 3.27Å; K62-P66 WeakPolarHBondContact O-CG 3.42Å
63D75.6Confident80Confident147 Ų14771 Ų7179%0.78638%0.381SS*.Hα-helixtrans-78.8-39.4177.1-67-22.6000111.4L61L61-D63 VanDerWaalsContact C-N 3.32Å
64L77.4Confident80.3Confident69 Ų6971 Ų7136%0.36138%0.381SS..Hα-helixtrans-71.3-45.1-178.8-175.265.9000113F17 E60 L61 V74F17-L64 HydrophobicContact CE1-CD2 4.21Å; F17-L64 HydrophobicContact CE2-CD2 4.1Å; F17-L64 HydrophobicContact CZ-CD2 3.65Å; E60-L64 WeakPolarHBondContact O-CB 3.37Å; E60-L64 PolarHBondContact O-N 3.3Å; E60-L64 VanDerWaalsContact O-N 3.12Å; L61-L64 HydrophobicContact CD2-CD2 4.19Å; L64-V74 HydrophobicContact CD1-CG2 4.09Å; L64-V74 HydrophobicContact CD2-CG2 4.07Å; L64-V74 HydrophobicContact CG-CG2 4.3Å
65A74.1Confident80.9Confident5 Ų569.2 Ų69.24%0.04137%0.371CS..SBendtrans-14668.7-173.600000112.1L61 G67 T68 F72 L79L61-A65 CarbonylContact O-C 3.54Å; L61-A65 PolarHBondContact O-N 2.91Å; A65-G67 PolarHBondContact O-N 2.93Å; A65-G67 VanDerWaalsContact O-N 3.13Å; A65-T68 HydrophobicContact CB-CG2 4.43Å; A65-T68 WeakPolarHBondContact O-CB 3.1Å; A65-T68 PolarHBondContact O-N 2.81Å; A65-T68 PolarHBondContact O-OG1 2.99Å; A65-F72 HydrophobicContact CB-CD2 4.31Å; A65-F72 HydrophobicContact CB-CE2 4.04Å; A65-F72 HydrophobicContact CB-CZ 4.28Å; A65-L79 HydrophobicContact CB-CD1 3.9Å; A65-L79 HydrophobicContact CB-CD2 3.67Å; A65-L79 HydrophobicContact CB-CG 4.46Å
66P73.8Confident81.4Confident97 Ų9767.2 Ų67.263%0.6336%0.355SS*.THydrogen-bonded Turntrans-56.3120.3-174.6-9.212.9000111.9K62 T68K62-P66 WeakPolarHBondContact O-CA 3.3Å; K62-P66 WeakPolarHBondContact O-CB 2.96Å; K62-P66 WeakPolarHBondContact O-CD 3.27Å; K62-P66 WeakPolarHBondContact O-CG 3.42Å; P66-T68 PolarHBondContact O-N 2.91Å
67G74.4Confident82.1Confident70 Ų7067.7 Ų67.772%0.72236%0.362SS*.THydrogen-bonded Turntrans70.85.6177.600000115.5A65A65-G67 PolarHBondContact O-N 2.93Å; A65-G67 VanDerWaalsContact O-N 3.13Å
68T82Confident83.2Confident37 Ų3768.3 Ų68.323%0.22737%0.366CS..PPolyproline II helixtrans-81.3135.5178.7-57.40000110.2A65 P66 F72 T81A65-T68 HydrophobicContact CB-CG2 4.43Å; A65-T68 WeakPolarHBondContact O-CB 3.1Å; A65-T68 PolarHBondContact O-N 2.81Å; A65-T68 PolarHBondContact O-OG1 2.99Å; P66-T68 PolarHBondContact O-N 2.91Å; T68-F72 HydrophobicContact CG2-CB 3.89Å; T68-F72 HydrophobicContact CG2-CD1 3.75Å; T68-F72 HydrophobicContact CG2-CG 3.96Å; T68-T81 HydrophobicContact CG2-CG2 3.64Å
69N85.1Confident84.5Confident100 Ų10068.8 Ų68.854%0.53537%0.366SS..PPolyproline II helixtrans-100.1144.2171.8-64.5-36.9000109.3M54M54-N69 HydrophobicContact CE-CB 4.13Å; M54-N69 WeakPolarHBondContact CE-OD1 3.42Å
70P90.9Very high85.7Confident21 Ų2165 Ų6514%0.13635%0.348CS..SBendtrans-55.5148.2170.5-24.233.1000112.7K19 V52 M54 F72K19-P70 HydrophobicContact CB-CB 4.35Å; V52-P70 HydrophobicContact CB-CG 3.74Å; V52-P70 HydrophobicContact CG1-CG 3.98Å; V52-P70 HydrophobicContact CG2-CG 4.18Å; M54-P70 WeakPolarHBondContact SD-CD 3.49Å; M54-P70 HydrophobicContact SD-CG 3.8Å; P70-F72 HydrophobicContact CG-CE1 4.16Å
71P95.1Very high86.8Confident14 Ų1460.2 Ų60.29%0.09133%0.329CS..SBendcis-84145.9134.4-35.4000113.4F17 F32 C33 L36 F83F17-P71 WeakPolarHBondContact O-CA 3.38Å; F32-P71 HydrophobicContact CB-CG 4.03Å; C33-P71 HydrophobicContact CB-CB 4.27Å; L36-P71 HydrophobicContact CD1-CB 3.88Å; L36-P71 HydrophobicContact CD1-CG 3.97Å; P71-F83 HydrophobicContact CG-CB 3.86Å
72F95.5Very high87.8Confident3 Ų362.4 Ų62.41%0.01334%0.341CS..EExtended strand (participates in β ladder)trans-142.5163.1166.959.8-89.3000110F17 V52 L61 A65 T68 P70 L79 K80 T81F17-F72 HydrophobicContact CB-CD1 3.96Å; F17-F72 HydrophobicContact CB-CD2 3.68Å; F17-F72 HydrophobicContact CB-CE1 3.61Å; F17-F72 HydrophobicContact CB-CE2 3.34Å; F17-F72 HydrophobicContact CB-CG 3.98Å; F17-F72 HydrophobicContact CB-CZ 3.28Å; F17-F72 AromaticContact CD1-CE2 3.71Å; F17-F72 HydrophobicContact CD1-CE2 3.71Å; F17-F72 AromaticContact CD1-CZ 3.7Å; F17-F72 HydrophobicContact CD1-CZ 3.7Å; F17-F72 AromaticContact CD2-CD2 3.62Å; F17-F72 HydrophobicContact CD2-CD2 3.62Å; F17-F72 AromaticContact CD2-CE2 3.27Å; F17-F72 HydrophobicContact CD2-CE2 3.27Å; F17-F72 HydrophobicContact CD2-CZ 4.06Å; F17-F72 HydrophobicContact CE1-CE2 4.32Å; F17-F72 HydrophobicContact CE2-CD2 4.47Å; F17-F72 AromaticContact CE2-CE2 3.96Å; F17-F72 HydrophobicContact CE2-CE2 3.96Å; F17-F72 AromaticContact CG-CD2 3.78Å; F17-F72 HydrophobicContact CG-CD2 3.78Å; F17-F72 HydrophobicContact CG-CE1 4.25Å; F17-F72 AromaticContact CG-CE2 3.13Å; F17-F72 HydrophobicContact CG-CE2 3.13Å; F17-F72 AromaticContact CG-CZ 3.4Å; F17-F72 HydrophobicContact CG-CZ 3.4Å; F17-F72 VanDerWaalsContact CG-CZ 3.4Å; F17-F72 HydrophobicContact CZ-CE2 4.43Å; F17-F72 PolarHBondContact N-O 3.09Å; F17-F72 PolarHBondContact O-N 2.74Å; V52-F72 HydrophobicContact CG2-CE1 4.3Å; V52-F72 HydrophobicContact CG2-CZ 4.21Å; L61-F72 HydrophobicContact CD2-CE2 4.41Å; L61-F72 HydrophobicContact CD2-CZ 3.9Å; A65-F72 HydrophobicContact CB-CD2 4.31Å; A65-F72 HydrophobicContact CB-CE2 4.04Å; A65-F72 HydrophobicContact CB-CZ 4.28Å; T68-F72 HydrophobicContact CG2-CB 3.89Å; T68-F72 HydrophobicContact CG2-CD1 3.75Å; T68-F72 HydrophobicContact CG2-CG 3.96Å; P70-F72 HydrophobicContact CG-CE1 4.16Å; F72-L79 HydrophobicContact CB-CD1 4.25Å; F72-L79 HydrophobicContact CD2-CD1 3.55Å; F72-L79 HydrophobicContact CE2-CD1 4.28Å; F72-L79 HydrophobicContact CG-CD1 4.22Å; F72-K80 WeakPolarHBondContact CB-O 3.3Å; F72-T81 HydrophobicContact CB-CG2 4.44Å
73L96.9Very high88.8Confident0 Ų060.1 Ų60.10%033%0.331CS..EExtended strand (participates in β ladder)trans-130137.7-173.8-173.384000109.3I14 E15 L16 L40 K80 I86 F89 L90I14-L73 HydrophobicContact CG2-CD1 3.6Å; I14-L73 HydrophobicContact CG2-CG 4.31Å; E15-L73 WeakPolarHBondContact O-CA 3.36Å; L16-L73 HydrophobicContact CB-CD1 4.06Å; L16-L73 HydrophobicContact CD1-CD1 4.02Å; L40-L73 HydrophobicContact CD1-CD1 4.01Å; L73-K80 HydrophobicContact CB-CB 4.29Å; L73-K80 PolarHBondContact N-O 3.27Å; L73-K80 PolarHBondContact O-N 2.75Å; L73-I86 HydrophobicContact CB-CD1 4.24Å; L73-I86 HydrophobicContact CB-CG2 3.98Å; L73-I86 HydrophobicContact CD2-CG2 3.95Å; L73-I86 HydrophobicContact CG-CG2 4.49Å; L73-F89 HydrophobicContact CD2-CE1 4.49Å; L73-L90 HydrophobicContact CD2-CD2 3.85Å; L73-L90 HydrophobicContact CD2-CG 4.32Å
74V96.3Very high89.7Confident17 Ų1757.3 Ų57.310%0.10332%0.315CS..EExtended strand (participates in β ladder)trans-104.4120.4163177.70000107.9I14 E15 F17 L64 E78 L79I14-V74 WeakPolarHBondContact CA-O 3.4Å; E15-V74 PolarHBondContact N-O 3.49Å; E15-V74 PolarHBondContact O-N 3.2Å; F17-V74 HydrophobicContact CD2-CG2 4.37Å; F17-V74 HydrophobicContact CE2-CB 4.22Å; F17-V74 HydrophobicContact CE2-CG2 3.68Å; L64-V74 HydrophobicContact CD1-CG2 4.09Å; L64-V74 HydrophobicContact CD2-CG2 4.07Å; L64-V74 HydrophobicContact CG-CG2 4.3Å; V74-E78 WeakPolarHBondContact CA-O 3.4Å; V74-L79 HydrophobicContact CG2-CD1 4.26Å
75Y96.9Very high90.7Very high27 Ų2760.3 Ų60.311%0.10633%0.326CS..EExtended strand (participates in β ladder)trans-121.5114.6179.3-174.2-81.6000109P12 E13 I14 K77 E78 F89 T93 L94P12-Y75 HydrophobicContact CB-CD2 4.38Å; P12-Y75 HydrophobicContact CB-CE1 4.07Å; P12-Y75 HydrophobicContact CB-CE2 3.56Å; P12-Y75 VanDerWaalsContact CB-OH 3.28Å; P12-Y75 WeakPolarHBondContact CB-OH 3.37Å; P12-Y75 HydrophobicContact CG-CE2 3.89Å; E13-Y75 CarbonylContact O-C 3.27Å; E13-Y75 WeakPolarHBondContact O-CA 3.33Å; I14-Y75 HydrophobicContact CD1-CD2 3.91Å; I14-Y75 HydrophobicContact CD1-CE2 3.72Å; I14-Y75 HydrophobicContact CG1-CD2 3.7Å; I14-Y75 HydrophobicContact CG1-CE2 3.85Å; Y75-K77 PolarHBondContact O-N 2.76Å; Y75-E78 PolarHBondContact N-O 3.47Å; Y75-E78 WeakPolarHBondContact O-CB 3.29Å; Y75-E78 PolarHBondContact O-N 3.33Å; Y75-F89 HydrophobicContact CD1-CE1 4.05Å; Y75-F89 AromaticContact CD1-CZ 3.62Å; Y75-F89 HydrophobicContact CD1-CZ 3.62Å; Y75-F89 AromaticContact CD2-CE1 3.69Å; Y75-F89 HydrophobicContact CD2-CE1 3.69Å; Y75-F89 HydrophobicContact CD2-CZ 4.09Å; Y75-F89 HydrophobicContact CE1-CE1 4.48Å; Y75-F89 AromaticContact CE1-CZ 3.91Å; Y75-F89 HydrophobicContact CE1-CZ 3.91Å; Y75-F89 HydrophobicContact CE2-CE1 4.17Å; Y75-F89 HydrophobicContact CE2-CZ 4.34Å; Y75-F89 AromaticContact CG-CE1 3.62Å; Y75-F89 HydrophobicContact CG-CE1 3.62Å; Y75-F89 AromaticContact CG-CZ 3.72Å; Y75-F89 HydrophobicContact CG-CZ 3.72Å; Y75-T93 HydrophobicContact CE1-CG2 4.3Å; Y75-T93 HydrophobicContact CE2-CG2 4.47Å; Y75-T93 VanDerWaalsContact OH-CG2 3.29Å; Y75-T93 WeakPolarHBondContact OH-CG2 3.48Å; Y75-L94 HydrophobicContact CE2-CD2 4.49Å
76N95.9Very high91.8Very high80 Ų8060.1 Ų60.143%0.42832%0.324SS..THydrogen-bonded Turntrans47.746.8-174.5-66.5-24.6000112.5P12 E13 E78P12-N76 WeakPolarHBondContact CA-OD1 3.31Å; E13-N76 PolarHBondContact N-OD1 2.61Å; E13-N76 PolarHBondContact O-N 2.95Å; N76-E78 PolarHBondContact O-N 3.12Å
77K92.5Very high93Very high172 Ų17256.3 Ų56.375%0.74830%0.298SS*.THydrogen-bonded Turntrans69.54.2-178.4-48.8173.5-177.8177.30115.3Y75Y75-K77 PolarHBondContact O-N 2.76Å
78E94.3Very high94.1Very high111 Ų11158 Ų5852%0.51929%0.287SS..EExtended strand (participates in β ladder)trans-93.9124.8171.9-62.3-174.1171.900111.2V74 Y75 N76 K80V74-E78 WeakPolarHBondContact CA-O 3.4Å; Y75-E78 PolarHBondContact N-O 3.47Å; Y75-E78 WeakPolarHBondContact O-CB 3.29Å; Y75-E78 PolarHBondContact O-N 3.33Å; N76-E78 PolarHBondContact O-N 3.12Å; E78-K80 PolarHBondContact O-N 3.33Å; E78-K80 IonicContact OE2-NZ 3.34Å; E78-K80 PolarHBondContact OE2-NZ 3.25Å
79L94.4Very high94.9Very high64 Ų6458.3 Ų58.334%0.33529%0.285SS..EExtended strand (participates in β ladder)trans-71.2127.3171.1-178.769.2000110.5A65 F72 V74 T81A65-L79 HydrophobicContact CB-CD1 3.9Å; A65-L79 HydrophobicContact CB-CD2 3.67Å; A65-L79 HydrophobicContact CB-CG 4.46Å; F72-L79 HydrophobicContact CB-CD1 4.25Å; F72-L79 HydrophobicContact CD2-CD1 3.55Å; F72-L79 HydrophobicContact CE2-CD1 4.28Å; F72-L79 HydrophobicContact CG-CD1 4.22Å; V74-L79 HydrophobicContact CG2-CD1 4.26Å; L79-T81 HydrophobicContact CD1-CG2 4.36Å; L79-T81 HydrophobicContact CD2-CG2 3.9Å; L79-T81 HydrophobicContact CG-CG2 3.92Å
80K95.6Very high95.5Very high48 Ų4853.6 Ų53.621%0.20926%0.26CS..EExtended strand (participates in β ladder)trans-114.3129.2168.6-49.2-77.2174.4-167.20108.1F72 L73 E78 I86 F89F72-K80 WeakPolarHBondContact CB-O 3.3Å; L73-K80 HydrophobicContact CB-CB 4.29Å; L73-K80 PolarHBondContact N-O 3.27Å; L73-K80 PolarHBondContact O-N 2.75Å; E78-K80 PolarHBondContact O-N 3.33Å; E78-K80 IonicContact OE2-NZ 3.34Å; E78-K80 PolarHBondContact OE2-NZ 3.25Å; K80-I86 HydrophobicContact CB-CD1 4.49Å; K80-I86 HydrophobicContact CB-CG1 3.84Å; K80-I86 WeakPolarHBondContact O-CD1 3.44Å; K80-F89 HydrophobicContact CD-CD1 4.39Å; K80-F89 HydrophobicContact CD-CE1 4.45Å; K80-F89 HydrophobicContact CD-CG 4.43Å; K80-F89 HydrophobicContact CG-CD1 4.4Å; K80-F89 HydrophobicContact CG-CE1 4.43Å
81T93.4Very high95.9Very high63 Ų6353.2 Ų53.239%0.38726%0.256SS..  trans-121.5172.3176.463.40000109.5T68 F72 L79T68-T81 HydrophobicContact CG2-CG2 3.64Å; F72-T81 HydrophobicContact CB-CG2 4.44Å; L79-T81 HydrophobicContact CD1-CG2 4.36Å; L79-T81 HydrophobicContact CD2-CG2 3.9Å; L79-T81 HydrophobicContact CG-CG2 3.92Å
82D92.9Very high96Very high68 Ų6859.7 Ų59.736%0.36429%0.285SS..SBendtrans65.6105.8-172.4-176.1-14.3000112.1I84 K85 I86D82-I84 PolarHBondContact O-N 3.06Å; D82-I84 VanDerWaalsContact O-N 3.09Å; D82-I84 PolarHBondContact OD1-N 3.2Å; D82-I84 VanDerWaalsContact OD1-N 3.13Å; D82-K85 HydrophobicContact CB-CB 4.29Å; D82-K85 HydrophobicContact CB-CD 4.08Å; D82-K85 HydrophobicContact CB-CG 4.18Å; D82-K85 PolarHBondContact O-N 3.36Å; D82-K85 WeakPolarHBondContact OD2-CE 3.19Å; D82-K85 IonicContact OD2-NZ 3.34Å; D82-I86 WeakPolarHBondContact O-CG1 3.26Å; D82-I86 PolarHBondContact O-N 3.3Å
83F92.7Very high96.1Very high49 Ų4962.3 Ų62.322%0.21530%0.302CS..Hα-helixtrans-59.2-28.3-172.675.1-89.5000113.7F32 L36 P71 E87F32-F83 HydrophobicContact CB-CD1 4.47Å; F32-F83 HydrophobicContact CB-CD2 4.49Å; F32-F83 HydrophobicContact CB-CG 4.25Å; F32-F83 HydrophobicContact CD1-CD1 4.35Å; F32-F83 HydrophobicContact CD1-CD2 4.1Å; F32-F83 HydrophobicContact CD1-CE1 4.02Å; F32-F83 AromaticContact CD1-CE2 3.75Å; F32-F83 HydrophobicContact CD1-CE2 3.75Å; F32-F83 HydrophobicContact CD1-CG 4.39Å; F32-F83 AromaticContact CD1-CZ 3.71Å; F32-F83 HydrophobicContact CD1-CZ 3.71Å; F32-F83 HydrophobicContact CE1-CE1 4.23Å; F32-F83 HydrophobicContact CE1-CE2 4.18Å; F32-F83 AromaticContact CE1-CZ 3.79Å; F32-F83 HydrophobicContact CE1-CZ 3.79Å; F32-F83 HydrophobicContact CG-CD1 4.39Å; F32-F83 HydrophobicContact CG-CE1 4.38Å; F32-F83 HydrophobicContact CG-CZ 4.49Å; L36-F83 HydrophobicContact CD1-CB 4.08Å; P71-F83 HydrophobicContact CG-CB 3.86Å; F83-E87 PolarHBondContact O-N 2.92Å
84I94.4Very high96.1Very high88 Ų8862.4 Ų62.445%0.45130%0.302SS..Hα-helixtrans-70.4-46.4178.2-60.3177.7000109.3D82 I86 E87 E88D82-I84 PolarHBondContact O-N 3.06Å; D82-I84 VanDerWaalsContact O-N 3.09Å; D82-I84 PolarHBondContact OD1-N 3.2Å; D82-I84 VanDerWaalsContact OD1-N 3.13Å; I84-I86 VanDerWaalsContact C-N 3.31Å; I84-I86 PolarHBondContact O-N 3.15Å; I84-E87 PolarHBondContact O-N 3.33Å; I84-E88 WeakPolarHBondContact O-CG 3.42Å; I84-E88 PolarHBondContact O-N 3.4Å
85K97.2Very high96Very high133 Ų13363.3 Ų63.358%0.57831%0.311SS*.Hα-helixtrans-65.6-35.9177.2-63.9-177.8-173.7171.10112.1D82 F89D82-K85 HydrophobicContact CB-CB 4.29Å; D82-K85 HydrophobicContact CB-CD 4.08Å; D82-K85 HydrophobicContact CB-CG 4.18Å; D82-K85 PolarHBondContact O-N 3.36Å; D82-K85 WeakPolarHBondContact OD2-CE 3.19Å; D82-K85 IonicContact OD2-NZ 3.34Å; K85-F89 WeakPolarHBondContact O-CB 3.48Å; K85-F89 PolarHBondContact O-N 3.33Å
86I98.1Very high95.9Very high1 Ų165.8 Ų65.81%0.00533%0.331CS..Hα-helixtrans-63.2-45.5175-63.8167.6000110.2L36 L73 K80 D82 I84 F89 L90L36-I86 HydrophobicContact CD1-CB 4.19Å; L36-I86 HydrophobicContact CD1-CD1 4.13Å; L36-I86 HydrophobicContact CD1-CG2 3.91Å; L36-I86 HydrophobicContact CD2-CB 4.22Å; L36-I86 HydrophobicContact CD2-CG2 3.82Å; L73-I86 HydrophobicContact CB-CD1 4.24Å; L73-I86 HydrophobicContact CB-CG2 3.98Å; L73-I86 HydrophobicContact CD2-CG2 3.95Å; L73-I86 HydrophobicContact CG-CG2 4.49Å; K80-I86 HydrophobicContact CB-CD1 4.49Å; K80-I86 HydrophobicContact CB-CG1 3.84Å; K80-I86 WeakPolarHBondContact O-CD1 3.44Å; D82-I86 WeakPolarHBondContact O-CG1 3.26Å; D82-I86 PolarHBondContact O-N 3.3Å; I84-I86 VanDerWaalsContact C-N 3.31Å; I84-I86 PolarHBondContact O-N 3.15Å; I86-F89 PolarHBondContact O-N 3.26Å; I86-L90 HydrophobicContact CG2-CD1 3.95Å; I86-L90 HydrophobicContact CG2-CG 4.26Å; I86-L90 WeakPolarHBondContact O-CB 3.16Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 2.86Å
87E98.3Very high95.8Very high17 Ų1768.7 Ų68.78%0.07935%0.354CS..Hα-helixtrans-60.2-49.7176.6173.4170.1130.200112.1R35 L36 I39 F83 I84 F89 L90 E91 L181R35-E87 IonicContact CZ-OE1 3.63Å; R35-E87 IonicContact CZ-OE2 2.8Å; R35-E87 IonicContact NE-OE1 2.93Å; R35-E87 IonicContact NE-OE2 2.77Å; R35-E87 PolarHBondContact NE-OE2 3.19Å; R35-E87 IonicContact NH2-OE1 3.53Å; R35-E87 PolarHBondContact NH2-OE1 3.35Å; R35-E87 IonicContact NH2-OE2 2.53Å; R35-E87 PolarHBondContact NH2-OE2 3.37Å; L36-E87 HydrophobicContact CD2-CB 4.22Å; I39-E87 HydrophobicContact CD1-CB 4.31Å; I39-E87 HydrophobicContact CD1-CG 3.87Å; I39-E87 VanDerWaalsContact CD1-OE2 3.3Å; I39-E87 WeakPolarHBondContact CD1-OE2 3.18Å; F83-E87 PolarHBondContact O-N 2.92Å; I84-E87 PolarHBondContact O-N 3.33Å; E87-F89 VanDerWaalsContact C-N 3.28Å; E87-F89 PolarHBondContact O-N 2.98Å; E87-L90 PolarHBondContact O-N 2.84Å; E87-E91 WeakPolarHBondContact O-CB 3.33Å; E87-E91 PolarHBondContact O-N 2.59Å; E87-L181 HydrophobicContact CG-CD1 4.17Å; E87-L181 HydrophobicContact CG-CD2 4.22Å
88E97.8Very high95.9Very high106 Ų10664.9 Ų64.950%0.49534%0.335SS..Hα-helixtrans-57.4-44176.9-70.7172.5-179.600111.3I84 E91 Q92I84-E88 WeakPolarHBondContact O-CG 3.42Å; I84-E88 PolarHBondContact O-N 3.4Å; E88-E91 PolarHBondContact O-N 3.07Å; E88-Q92 WeakPolarHBondContact O-CB 3.17Å; E88-Q92 VanDerWaalsContact O-CG 3.24Å; E88-Q92 WeakPolarHBondContact O-CG 3.35Å; E88-Q92 PolarHBondContact O-N 3.2Å
89F98.4Very high96.1Very high43 Ų4360.6 Ų60.619%0.18931%0.314CS..Hα-helixtrans-61.5-46.7177169.4-99.8000112.3L73 Y75 K80 K85 I86 E87 Q92 T93L73-F89 HydrophobicContact CD2-CE1 4.49Å; Y75-F89 HydrophobicContact CD1-CE1 4.05Å; Y75-F89 AromaticContact CD1-CZ 3.62Å; Y75-F89 HydrophobicContact CD1-CZ 3.62Å; Y75-F89 AromaticContact CD2-CE1 3.69Å; Y75-F89 HydrophobicContact CD2-CE1 3.69Å; Y75-F89 HydrophobicContact CD2-CZ 4.09Å; Y75-F89 HydrophobicContact CE1-CE1 4.48Å; Y75-F89 AromaticContact CE1-CZ 3.91Å; Y75-F89 HydrophobicContact CE1-CZ 3.91Å; Y75-F89 HydrophobicContact CE2-CE1 4.17Å; Y75-F89 HydrophobicContact CE2-CZ 4.34Å; Y75-F89 AromaticContact CG-CE1 3.62Å; Y75-F89 HydrophobicContact CG-CE1 3.62Å; Y75-F89 AromaticContact CG-CZ 3.72Å; Y75-F89 HydrophobicContact CG-CZ 3.72Å; K80-F89 HydrophobicContact CD-CD1 4.39Å; K80-F89 HydrophobicContact CD-CE1 4.45Å; K80-F89 HydrophobicContact CD-CG 4.43Å; K80-F89 HydrophobicContact CG-CD1 4.4Å; K80-F89 HydrophobicContact CG-CE1 4.43Å; K85-F89 WeakPolarHBondContact O-CB 3.48Å; K85-F89 PolarHBondContact O-N 3.33Å; I86-F89 PolarHBondContact O-N 3.26Å; E87-F89 VanDerWaalsContact C-N 3.28Å; E87-F89 PolarHBondContact O-N 2.98Å; F89-Q92 PolarHBondContact O-N 3.37Å; F89-T93 WeakPolarHBondContact CD2-OG1 3.13Å; F89-T93 HydrophobicContact CE2-CG2 4.43Å; F89-T93 VanDerWaalsContact CE2-OG1 3.23Å; F89-T93 WeakPolarHBondContact CE2-OG1 3.37Å; F89-T93 HydrophobicContact CZ-CG2 4.21Å; F89-T93 WeakPolarHBondContact O-CB 3.49Å; F89-T93 PolarHBondContact O-N 3.31Å; F89-T93 PolarHBondContact O-OG1 2.67Å
90L98.3Very high96.2Very high0 Ų060.3 Ų60.30%032%0.316CS..Hα-helixtrans-64.7-41.5179.1-72.3175.5000111.3L36 I39 L40 L73 I86 E87 L94L36-L90 HydrophobicContact CD2-CD1 4.36Å; I39-L90 HydrophobicContact CG2-CB 4.37Å; I39-L90 HydrophobicContact CG2-CD1 4.16Å; L40-L90 HydrophobicContact CD2-CD1 3.85Å; L40-L90 HydrophobicContact CD2-CD2 3.7Å; L40-L90 HydrophobicContact CD2-CG 4.42Å; L40-L90 HydrophobicContact CG-CD1 4.07Å; L73-L90 HydrophobicContact CD2-CD2 3.85Å; L73-L90 HydrophobicContact CD2-CG 4.32Å; I86-L90 HydrophobicContact CG2-CD1 3.95Å; I86-L90 HydrophobicContact CG2-CG 4.26Å; I86-L90 WeakPolarHBondContact O-CB 3.16Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 2.86Å; E87-L90 PolarHBondContact O-N 2.84Å; L90-L94 HydrophobicContact CD2-CD1 3.96Å; L90-L94 WeakPolarHBondContact O-CA 3.47Å; L90-L94 VanDerWaalsContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CB 3.45Å; L90-L94 PolarHBondContact O-N 3.17Å
91E98.1Very high96.3Very high14 Ų1463.8 Ų63.87%0.06533%0.333CS..Hα-helixtrans-65.9-40.7179-173.556.5-147.900112.2K43 E87 E88 H101 L102 S103 L181K43-E91 WeakPolarHBondContact CE-OE2 3.41Å; K43-E91 VanDerWaalsContact NZ-CD 3.27Å; K43-E91 IonicContact NZ-OE1 3.63Å; K43-E91 PolarHBondContact NZ-OE1 2.93Å; K43-E91 IonicContact NZ-OE2 2.59Å; K43-E91 PolarHBondContact NZ-OE2 3.08Å; E87-E91 WeakPolarHBondContact O-CB 3.33Å; E87-E91 PolarHBondContact O-N 2.59Å; E88-E91 PolarHBondContact O-N 3.07Å; E91-H101 WeakPolarHBondContact OE1-CA 3.44Å; E91-H101 IonicContact OE1-CE1 2.81Å; E91-H101 PolarHBondContact OE1-CE1 3.25Å; E91-H101 VanDerWaalsContact OE1-CE1 3.31Å; E91-H101 IonicContact OE1-CG 2.98Å; E91-H101 IonicContact OE1-ND1 2.7Å; E91-H101 PolarHBondContact OE1-ND1 3.42Å; E91-L102 PolarHBondContact OE1-N 2.97Å; E91-L102 PolarHBondContact OE2-N 3.46Å; E91-S103 WeakPolarHBondContact CG-OG 3.09Å; E91-L181 HydrophobicContact CB-CD1 4.36Å; E91-L181 HydrophobicContact CG-CD1 4.13Å
92Q97.7Very high96.6Very high150 Ų15061.2 Ų61.270%0.70132%0.317SS*.Hα-helixtrans-73.6-38.9178.2-70.7175.211.900112.9E88 F89E88-Q92 WeakPolarHBondContact O-CB 3.17Å; E88-Q92 VanDerWaalsContact O-CG 3.24Å; E88-Q92 WeakPolarHBondContact O-CG 3.35Å; E88-Q92 PolarHBondContact O-N 3.2Å; F89-Q92 PolarHBondContact O-N 3.37Å
93T97.1Very high96.8Very high58 Ų5860.1 Ų60.136%0.35631%0.314SS..Hα-helixtrans-83.8-40.5-173.1-54.80000111.7Y75 F89 A95Y75-T93 HydrophobicContact CE1-CG2 4.3Å; Y75-T93 HydrophobicContact CE2-CG2 4.47Å; Y75-T93 VanDerWaalsContact OH-CG2 3.29Å; Y75-T93 WeakPolarHBondContact OH-CG2 3.48Å; F89-T93 WeakPolarHBondContact CD2-OG1 3.13Å; F89-T93 HydrophobicContact CE2-CG2 4.43Å; F89-T93 VanDerWaalsContact CE2-OG1 3.23Å; F89-T93 WeakPolarHBondContact CE2-OG1 3.37Å; F89-T93 HydrophobicContact CZ-CG2 4.21Å; F89-T93 WeakPolarHBondContact O-CB 3.49Å; F89-T93 PolarHBondContact O-N 3.31Å; F89-T93 PolarHBondContact O-OG1 2.67Å; T93-A95 PolarHBondContact O-N 2.9Å
94L96.8Very high97Very high1 Ų158.8 Ų58.81%0.00531%0.311CS..SBendtrans-9572177-53.3176.8000108.9P12 I14 L40 K43 V45 Y75 L90 Y99P12-L94 HydrophobicContact CG-CD2 4.25Å; I14-L94 HydrophobicContact CD1-CD1 4.28Å; L40-L94 HydrophobicContact CD2-CD1 4.34Å; K43-L94 HydrophobicContact CB-CD1 4.1Å; K43-L94 HydrophobicContact CD-CB 3.84Å; K43-L94 WeakPolarHBondContact CD-O 3.44Å; K43-L94 WeakPolarHBondContact CE-O 3.32Å; K43-L94 HydrophobicContact CG-CB 4.22Å; K43-L94 HydrophobicContact CG-CD1 4.04Å; K43-L94 PolarHBondContact NZ-O 2.89Å; V45-L94 HydrophobicContact CB-CD1 4.25Å; V45-L94 HydrophobicContact CG1-CD1 3.83Å; V45-L94 HydrophobicContact CG2-CD2 4.36Å; Y75-L94 HydrophobicContact CE2-CD2 4.49Å; L90-L94 HydrophobicContact CD2-CD1 3.96Å; L90-L94 WeakPolarHBondContact O-CA 3.47Å; L90-L94 VanDerWaalsContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CB 3.45Å; L90-L94 PolarHBondContact O-N 3.17Å; L94-Y99 HydrophobicContact CB-CD2 3.78Å; L94-Y99 HydrophobicContact CB-CE2 4.34Å; L94-Y99 HydrophobicContact CB-CG 3.91Å; L94-Y99 HydrophobicContact CD2-CD2 3.94Å; L94-Y99 HydrophobicContact CD2-CE2 3.59Å; L94-Y99 HydrophobicContact CG-CD2 4.49Å; L94-Y99 WeakPolarHBondContact O-CB 3.41Å
95A94.6Very high97.1Very high36 Ų3661.8 Ų61.830%0.29832%0.32SS..  trans-110168.1-173.700000113.5T93 R98 Y99T93-A95 PolarHBondContact O-N 2.9Å; A95-R98 PolarHBondContact O-N 3.39Å; A95-Y99 CarbonylContact C-O 3.34Å; A95-Y99 VanDerWaalsContact C-O 3.28Å; A95-Y99 PolarHBondContact O-N 2.9Å
96P94.7Very high97.2Very high80 Ų8057.5 Ų57.552%0.51930%0.301SS..THydrogen-bonded Turntrans-56.6151.5170.9-27.336000112.7Y99 H101P96-Y99 VanDerWaalsContact CA-O 3.31Å; P96-Y99 WeakPolarHBondContact CA-O 3.31Å; P96-Y99 WeakPolarHBondContact CD-O 3.46Å; P96-Y99 WeakPolarHBondContact CG-O 3.46Å; P96-H101 HydrophobicContact CG-CB 4.11Å
97P94.8Very high97Very high141 Ų14164.3 Ų64.392%0.91633%0.33SS*.THydrogen-bonded Turncis-85.7-5.37.934.3-37000114.8
98R94.8Very high96.9Very high91 Ų9168.7 Ų68.734%0.34335%0.351SS..THydrogen-bonded Turntrans-83-38.2-172.7-176.2176179.1164.56.1113.3Q9 D11 A95Q9-R98 VanDerWaalsContact CB-NH1 3.34Å; Q9-R98 PolarHBondContact O-NH1 3.26Å; Q9-R98 PolarHBondContact O-NH2 3.27Å; Q9-R98 VanDerWaalsContact OE1-NH1 3.13Å; D11-R98 IonicContact OD1-CZ 3.43Å; D11-R98 IonicContact OD1-NH2 3.95Å; D11-R98 PolarHBondContact OD1-NH2 2.75Å; A95-R98 PolarHBondContact O-N 3.39Å
99Y97.1Very high96.9Very high22 Ų2263.7 Ų63.79%0.08633%0.328CS..SBendtrans-123.3150.8-176.2-56.1-72.1000109.9K43 V45 L94 A95 P96K43-Y99 WeakPolarHBondContact O-CD1 3.2Å; V45-Y99 HydrophobicContact CB-CD1 4.48Å; V45-Y99 HydrophobicContact CB-CE1 3.88Å; V45-Y99 HydrophobicContact CG2-CE1 4.01Å; L94-Y99 HydrophobicContact CB-CD2 3.78Å; L94-Y99 HydrophobicContact CB-CE2 4.34Å; L94-Y99 HydrophobicContact CB-CG 3.91Å; L94-Y99 HydrophobicContact CD2-CD2 3.94Å; L94-Y99 HydrophobicContact CD2-CE2 3.59Å; L94-Y99 HydrophobicContact CG-CD2 4.49Å; L94-Y99 WeakPolarHBondContact O-CB 3.41Å; A95-Y99 CarbonylContact C-O 3.34Å; A95-Y99 VanDerWaalsContact C-O 3.28Å; A95-Y99 PolarHBondContact O-N 2.9Å; P96-Y99 VanDerWaalsContact CA-O 3.31Å; P96-Y99 WeakPolarHBondContact CA-O 3.31Å; P96-Y99 WeakPolarHBondContact CD-O 3.46Å; P96-Y99 WeakPolarHBondContact CG-O 3.46Å
100P97.8Very high96.7Very high58 Ų5864.9 Ų64.938%0.37733%0.333SS..  trans-68.5150.1-179.828.2-33.7000111.6L42 K43 L102L42-P100 WeakPolarHBondContact O-CG 3.47Å; K43-P100 PolarHBondContact NZ-O 3.35Å; K43-P100 WeakPolarHBondContact O-CD 3.36Å; P100-L102 HydrophobicContact CB-CD2 4.33Å; P100-L102 HydrophobicContact CG-CD2 4.24Å
101H98Very high96.5Very high120 Ų12068.2 Ų68.256%0.55635%0.351SS*.  trans-83.5127.3167.6-171.158.2000108.9E91 P96 S103E91-H101 WeakPolarHBondContact OE1-CA 3.44Å; E91-H101 IonicContact OE1-CE1 2.81Å; E91-H101 PolarHBondContact OE1-CE1 3.25Å; E91-H101 VanDerWaalsContact OE1-CE1 3.31Å; E91-H101 IonicContact OE1-CG 2.98Å; E91-H101 IonicContact OE1-ND1 2.7Å; E91-H101 PolarHBondContact OE1-ND1 3.42Å; P96-H101 HydrophobicContact CG-CB 4.11Å; H101-S103 WeakPolarHBondContact NE2-CB 3.01Å
102L98.4Very high96.2Very high10 Ų1068.1 Ų68.15%0.05235%0.351CS..  trans-110.7-8.1-174.8-58.6-179.2000113.2I39 L42 K43 E91 P100 T180 L181I39-L102 HydrophobicContact CG2-CD1 4.34Å; L42-L102 HydrophobicContact CB-CD1 3.71Å; L42-L102 HydrophobicContact CB-CD2 4.06Å; L42-L102 HydrophobicContact CD1-CD1 4.45Å; K43-L102 HydrophobicContact CD-CD1 4.04Å; K43-L102 HydrophobicContact CD-CG 4.33Å; K43-L102 HydrophobicContact CG-CD1 4.05Å; E91-L102 PolarHBondContact OE1-N 2.97Å; E91-L102 PolarHBondContact OE2-N 3.46Å; P100-L102 HydrophobicContact CB-CD2 4.33Å; P100-L102 HydrophobicContact CG-CD2 4.24Å; L102-T180 CarbonylContact O-C 3.28Å; L102-T180 VanDerWaalsContact O-CA 3.24Å; L102-T180 WeakPolarHBondContact O-CA 3.36Å; L102-T180 VanDerWaalsContact O-CB 3.24Å; L102-T180 WeakPolarHBondContact O-CB 3.3Å; L102-L181 HydrophobicContact CB-CD2 3.86Å; L102-L181 HydrophobicContact CB-CG 3.89Å; L102-L181 HydrophobicContact CD1-CD2 4.36Å; L102-L181 PolarHBondContact O-N 3.16Å
103S97.9Very high95.5Very high44 Ų4461.1 Ų61.131%0.30832%0.32SS..  trans-61.8132.9177.9-61.50000110.7E91 H101E91-S103 WeakPolarHBondContact CG-OG 3.09Å; H101-S103 WeakPolarHBondContact NE2-CB 3.01Å
104P97.2Very high95Very high22 Ų2261.5 Ų61.514%0.14332%0.324CS..  trans-65.7150.2173.330-35.5000110.5F110 D175 A182P104-F110 VanDerWaalsContact CD-CE2 3.49Å; P104-F110 HydrophobicContact CG-CD2 3.55Å; P104-F110 HydrophobicContact CG-CE2 3.26Å; P104-F110 HydrophobicContact CG-CZ 4.08Å; P104-D175 WeakPolarHBondContact CA-OD2 3.5Å; P104-D175 HydrophobicContact CB-CB 3.94Å; P104-D175 VanDerWaalsContact CB-CG 3.45Å; P104-D175 WeakPolarHBondContact CB-OD1 3.44Å; P104-A182 HydrophobicContact CB-CB 4.42Å; P104-A182 HydrophobicContact CG-CB 4.21Å
105K97.1Very high94.8Very high151 Ų15164.7 Ų64.766%0.65734%0.341SS*.SBendtrans-72.2-40.3172.4-60.2167.6-176.4162.90110.7D156 D175K105-D156 IonicContact NZ-OD2 2.71Å; K105-D156 PolarHBondContact NZ-OD2 2.95Å; K105-D175 WeakPolarHBondContact CB-OD2 3.36Å; K105-D175 PolarHBondContact N-OD2 3.43Å
106Y97.5Very high94.9Very high43 Ų4363 Ų6317%0.16933%0.327CS..  trans-99.7126-176.1-55-78.9000110.5E108 S109 L154 L155 D156 D175Y106-E108 PolarHBondContact O-N 3.35Å; Y106-S109 VanDerWaalsContact O-CB 3.26Å; Y106-S109 WeakPolarHBondContact O-CB 3.27Å; Y106-S109 PolarHBondContact O-N 3.07Å; Y106-S109 PolarHBondContact O-OG 3.2Å; Y106-L154 HydrophobicContact CD2-CB 4.46Å; Y106-L154 HydrophobicContact CD2-CD1 3.9Å; Y106-L154 HydrophobicContact CD2-CD2 4.04Å; Y106-L154 HydrophobicContact CD2-CG 4.36Å; Y106-L154 HydrophobicContact CE2-CB 3.8Å; Y106-L154 HydrophobicContact CE2-CD1 3.77Å; Y106-L154 HydrophobicContact CE2-CD2 4.23Å; Y106-L154 HydrophobicContact CE2-CG 4.13Å; Y106-L154 HydrophobicContact CG-CD2 4.47Å; Y106-L155 HydrophobicContact CE1-CB 4.3Å; Y106-L155 HydrophobicContact CE1-CD1 4.42Å; Y106-L155 PolarHBondContact OH-N 3.32Å; Y106-D156 VanDerWaalsContact CE2-OD1 3.3Å; Y106-D156 WeakPolarHBondContact CE2-OD1 3.42Å; Y106-D156 PolarHBondContact OH-N 3.33Å; Y106-D156 PolarHBondContact OH-OD1 3.08Å; Y106-D175 WeakPolarHBondContact CB-OD1 3.46Å; Y106-D175 VanDerWaalsContact CD2-OD1 3.3Å; Y106-D175 WeakPolarHBondContact CD2-OD1 3.5Å; Y106-D175 PolarHBondContact N-OD1 2.82Å
107K95.4Very high94.9Very high144 Ų14461 Ų6163%0.62631%0.31SS*.THydrogen-bonded Turntrans-63.6-32.9177.1-176.7-174.4169.3-169.90111S109 F110 D111K107-S109 PolarHBondContact O-N 3.08Å; K107-S109 VanDerWaalsContact O-N 3.14Å; K107-F110 PolarHBondContact O-N 2.06Å; K107-D111 WeakPolarHBondContact CE-OD2 3.36Å; K107-D111 PolarHBondContact O-N 3.3Å
108E96.4Very high95Very high108 Ų10857 Ų5751%0.50529%0.289SS..Hα-helixtrans-54.8-30.8177.9-67.273.5-164.500112.2Y106 F110 D111 V112 Y149Y106-E108 PolarHBondContact O-N 3.35Å; E108-F110 VanDerWaalsContact C-N 3.26Å; E108-F110 PolarHBondContact O-N 3.19Å; E108-D111 PolarHBondContact O-N 3.22Å; E108-D111 VanDerWaalsContact O-N 3.1Å; E108-V112 WeakPolarHBondContact O-CB 3.39Å; E108-V112 PolarHBondContact O-N 2.96Å; E108-Y149 HydrophobicContact CB-CE2 3.85Å
109S97.3Very high95.2Very high2 Ų256.5 Ų56.51%0.01429%0.289CS..Hα-helixtrans-57.8-36.4174.8-60.80000112.3Y106 K107 Y149 D175Y106-S109 VanDerWaalsContact O-CB 3.26Å; Y106-S109 WeakPolarHBondContact O-CB 3.27Å; Y106-S109 PolarHBondContact O-N 3.07Å; Y106-S109 PolarHBondContact O-OG 3.2Å; K107-S109 PolarHBondContact O-N 3.08Å; K107-S109 VanDerWaalsContact O-N 3.14Å; S109-Y149 PolarHBondContact OG-OH 3.19Å; S109-D175 PolarHBondContact OG-OD1 2.88Å
110F93.8Very high95.2Very high68 Ų6855.4 Ų55.430%0.29829%0.285SS..Hα-helixtrans-77.9-40.5172.3-82.7-65.6000112.5P104 K107 E108 L181 A182P104-F110 VanDerWaalsContact CD-CE2 3.49Å; P104-F110 HydrophobicContact CG-CD2 3.55Å; P104-F110 HydrophobicContact CG-CE2 3.26Å; P104-F110 HydrophobicContact CG-CZ 4.08Å; K107-F110 PolarHBondContact O-N 2.06Å; E108-F110 VanDerWaalsContact C-N 3.26Å; E108-F110 PolarHBondContact O-N 3.19Å; F110-L181 HydrophobicContact CE1-CB 4.22Å; F110-L181 HydrophobicContact CZ-CB 3.61Å; F110-A182 HydrophobicContact CD1-CB 4.07Å; F110-A182 HydrophobicContact CE1-CB 4.23Å; F110-A182 HydrophobicContact CG-CB 4.28Å
111D94Very high95.2Very high69 Ų6953.8 Ų53.837%0.36928%0.275SS..Hα-helixtrans-73.6-30.9-170.4-70.7-21.1000112.8K107 E108 G113 C114 R145K107-D111 WeakPolarHBondContact CE-OD2 3.36Å; K107-D111 PolarHBondContact O-N 3.3Å; E108-D111 PolarHBondContact O-N 3.22Å; E108-D111 VanDerWaalsContact O-N 3.1Å; D111-G113 VanDerWaalsContact C-N 3.3Å; D111-G113 PolarHBondContact O-N 3.49Å; D111-C114 PolarHBondContact O-N 2.96Å; D111-C114 PolarHBondContact O-SG 3.03Å; D111-R145 PolarHBondContact O-NH2 2.89Å
112V91.6Very high95.1Very high12 Ų1250.1 Ų50.17%0.07327%0.266CS..THydrogen-bonded Turntrans-64.5-33.9-176.370.40000112.8E108 R145 L146 Y149 L174E108-V112 WeakPolarHBondContact O-CB 3.39Å; E108-V112 PolarHBondContact O-N 2.96Å; V112-R145 VanDerWaalsContact C-NH2 3.27Å; V112-R145 HydrophobicContact CG2-CG 4.43Å; V112-R145 PolarHBondContact O-NH2 3.18Å; V112-L146 HydrophobicContact CG1-CD1 3.87Å; V112-L146 HydrophobicContact CG2-CB 4.35Å; V112-L146 HydrophobicContact CG2-CD1 4.08Å; V112-Y149 HydrophobicContact CB-CD1 4.29Å; V112-Y149 HydrophobicContact CB-CG 4.2Å; V112-Y149 HydrophobicContact CG1-CD1 3.81Å; V112-Y149 HydrophobicContact CG1-CE1 4.14Å; V112-Y149 HydrophobicContact CG1-CG 4.22Å; V112-Y149 HydrophobicContact CG2-CD1 4.28Å; V112-Y149 HydrophobicContact CG2-CG 3.95Å; V112-L174 HydrophobicContact CG1-CD2 4.08Å
113G82.8Confident95Very high4 Ų449.9 Ų49.94%0.04126%0.264CS..THydrogen-bonded Turntrans-95.9-7.8-17800000115.4D111 N115 L116D111-G113 VanDerWaalsContact C-N 3.3Å; D111-G113 PolarHBondContact O-N 3.49Å; G113-N115 PolarHBondContact O-N 3.13Å; G113-L116 PolarHBondContact O-N 2.89Å
114C87.8Confident95Very high66 Ų6647.8 Ų47.845%0.44625%0.249SC..THydrogen-bonded Turntrans-64.6-37-167730000113.6D111D111-C114 PolarHBondContact O-N 2.96Å; D111-C114 PolarHBondContact O-SG 3.03Å
115N93Very high94.9Very high67 Ų6752.4 Ų52.436%0.35827%0.267SS..THydrogen-bonded Turntrans-86.5-19.8-177.1-71.1-37.5000113.7G113 F117 A118 K119 E142G113-N115 PolarHBondContact O-N 3.13Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F117 PolarHBondContact O-N 3.27Å; N115-A118 WeakPolarHBondContact O-CB 3.48Å; N115-A118 PolarHBondContact O-N 2.94Å; N115-A118 VanDerWaalsContact O-N 3.1Å; N115-K119 WeakPolarHBondContact O-CG 3.43Å; N115-K119 PolarHBondContact O-N 3.3Å; N115-E142 HydrophobicContact CB-CG 4.41Å; N115-E142 WeakPolarHBondContact CB-OE2 3.41Å
116L95.1Very high94.6Very high1 Ų145.8 Ų45.81%0.00524%0.239CC..Hα-helixtrans-56.7-48.2-172.2-172.272.4000111.5G113 A118 K119 F120 L139 E142 F143 L146 L186 L190 I193G113-L116 PolarHBondContact O-N 2.89Å; L116-A118 VanDerWaalsContact C-N 3.34Å; L116-A118 PolarHBondContact O-N 2.83Å; L116-K119 PolarHBondContact O-N 3.01Å; L116-F120 WeakPolarHBondContact O-CB 3.39Å; L116-F120 PolarHBondContact O-N 3.29Å; L116-L139 HydrophobicContact CD1-CD1 3.91Å; L116-L139 HydrophobicContact CG-CD1 4.49Å; L116-E142 HydrophobicContact CB-CB 4.48Å; L116-E142 HydrophobicContact CD1-CB 3.55Å; L116-F143 HydrophobicContact CD1-CD1 4.16Å; L116-F143 HydrophobicContact CD1-CD2 4Å; L116-F143 HydrophobicContact CD1-CE1 4.28Å; L116-F143 HydrophobicContact CD1-CE2 4.13Å; L116-F143 HydrophobicContact CD1-CG 4.01Å; L116-F143 HydrophobicContact CD1-CZ 4.26Å; L116-F143 HydrophobicContact CD2-CE1 4.12Å; L116-F143 HydrophobicContact CD2-CZ 4.35Å; L116-L146 HydrophobicContact CD2-CD2 4.33Å; L116-L186 HydrophobicContact CD2-CD1 4.19Å; L116-L190 HydrophobicContact CD2-CD2 3.38Å; L116-L190 HydrophobicContact CD2-CG 4.28Å; L116-I193 HydrophobicContact CD2-CD1 3.77Å; L116-I193 HydrophobicContact CG-CD1 3.78Å
117F95.7Very high94.3Very high38 Ų3846.3 Ų46.317%0.16725%0.247CC..Hα-helixtrans-69.6-30.2-179.2-164.2-106.3000113.2N115 F120 S121 K189 I192 I193 Y239N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F117 PolarHBondContact O-N 3.27Å; F117-F120 HydrophobicContact CD2-CD1 4.03Å; F117-F120 AromaticContact CE2-CD1 3.98Å; F117-F120 HydrophobicContact CE2-CD1 3.98Å; F117-F120 HydrophobicContact CE2-CE1 4.19Å; F117-S121 VanDerWaalsContact O-CB 3.25Å; F117-S121 WeakPolarHBondContact O-CB 3.16Å; F117-S121 PolarHBondContact O-N 2.85Å; F117-S121 PolarHBondContact O-OG 3.21Å; F117-K189 HydrophobicContact CB-CB 4.22Å; F117-K189 HydrophobicContact CB-CD 3.88Å; F117-K189 HydrophobicContact CB-CG 4.2Å; F117-K189 HydrophobicContact CD2-CB 3.64Å; F117-K189 HydrophobicContact CD2-CD 4.49Å; F117-K189 HydrophobicContact CD2-CG 3.88Å; F117-K189 HydrophobicContact CE2-CB 4.28Å; F117-K189 HydrophobicContact CE2-CG 4.38Å; F117-K189 HydrophobicContact CG-CB 4.13Å; F117-K189 HydrophobicContact CG-CD 4.15Å; F117-K189 HydrophobicContact CG-CG 3.99Å; F117-I192 HydrophobicContact CE2-CB 4.12Å; F117-I192 HydrophobicContact CE2-CD1 4.24Å; F117-I192 HydrophobicContact CE2-CG2 3.81Å; F117-I192 HydrophobicContact CZ-CD1 4.37Å; F117-I192 HydrophobicContact CZ-CG2 4.33Å; F117-I193 HydrophobicContact CD2-CD1 4.36Å; F117-I193 HydrophobicContact CD2-CG1 4.27Å; F117-Y239 WeakPolarHBondContact CZ-OH 3.3Å
118A97Very high94.1Very high58 Ų5845.4 Ų45.448%0.47925%0.245SC..Hα-helixtrans-69.3-42.3174.300000111.4N115 L116 S121 A122N115-A118 WeakPolarHBondContact O-CB 3.48Å; N115-A118 PolarHBondContact O-N 2.94Å; N115-A118 VanDerWaalsContact O-N 3.1Å; L116-A118 VanDerWaalsContact C-N 3.34Å; L116-A118 PolarHBondContact O-N 2.83Å; A118-S121 WeakPolarHBondContact O-CB 3.4Å; A118-S121 PolarHBondContact O-N 3.2Å; A118-A122 PolarHBondContact O-N 3.2Å
119K97.9Very high93.6Very high79 Ų7947.2 Ų47.234%0.34325%0.251SS..Hα-helixtrans-65.2-43.3174.5-61.8-46.7-173.1173.90111.8N115 L116 S121 A122 Y123 S138 L139 E142N115-K119 WeakPolarHBondContact O-CG 3.43Å; N115-K119 PolarHBondContact O-N 3.3Å; L116-K119 PolarHBondContact O-N 3.01Å; K119-S121 VanDerWaalsContact C-N 3.34Å; K119-S121 PolarHBondContact O-N 3.48Å; K119-A122 PolarHBondContact O-N 2.78Å; K119-Y123 WeakPolarHBondContact O-CB 3.37Å; K119-Y123 PolarHBondContact O-N 2.83Å; K119-S138 WeakPolarHBondContact CD-OG 3.49Å; K119-L139 HydrophobicContact CB-CD1 4.35Å; K119-E142 HydrophobicContact CB-CG 4.32Å; K119-E142 HydrophobicContact CG-CG 3.58Å
120F98Very high93.2Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-59-45.1171.6165.4-107.1000111.8L116 F117 A122 Y123 I124 L139 I192 I193 A196 A197 Y239L116-F120 WeakPolarHBondContact O-CB 3.39Å; L116-F120 PolarHBondContact O-N 3.29Å; F117-F120 HydrophobicContact CD2-CD1 4.03Å; F117-F120 AromaticContact CE2-CD1 3.98Å; F117-F120 HydrophobicContact CE2-CD1 3.98Å; F117-F120 HydrophobicContact CE2-CE1 4.19Å; F120-A122 VanDerWaalsContact C-N 3.29Å; F120-A122 PolarHBondContact O-N 3.34Å; F120-Y123 WeakPolarHBondContact O-CB 3.46Å; F120-Y123 PolarHBondContact O-N 3.08Å; F120-Y123 VanDerWaalsContact O-N 3.08Å; F120-I124 HydrophobicContact CD2-CB 4.37Å; F120-I124 HydrophobicContact CE1-CG2 4.11Å; F120-I124 HydrophobicContact CE2-CB 3.81Å; F120-I124 HydrophobicContact CE2-CD1 4.15Å; F120-I124 HydrophobicContact CE2-CG1 4.06Å; F120-I124 HydrophobicContact CE2-CG2 4.3Å; F120-I124 HydrophobicContact CZ-CB 3.87Å; F120-I124 HydrophobicContact CZ-CD1 4.4Å; F120-I124 HydrophobicContact CZ-CG1 3.94Å; F120-I124 HydrophobicContact CZ-CG2 3.94Å; F120-I124 WeakPolarHBondContact O-CG2 3.39Å; F120-I124 PolarHBondContact O-N 3.06Å; F120-L139 HydrophobicContact CB-CD1 4Å; F120-L139 HydrophobicContact CB-CD2 4.49Å; F120-L139 HydrophobicContact CD2-CD2 4.48Å; F120-I192 HydrophobicContact CE1-CG2 3.94Å; F120-I192 HydrophobicContact CZ-CG2 4.43Å; F120-I193 HydrophobicContact CB-CD1 4.11Å; F120-I193 HydrophobicContact CB-CG1 3.74Å; F120-I193 HydrophobicContact CD1-CG1 3.69Å; F120-I193 HydrophobicContact CD2-CB 4.25Å; F120-I193 HydrophobicContact CD2-CG1 3.94Å; F120-I193 HydrophobicContact CD2-CG2 3.96Å; F120-I193 HydrophobicContact CE1-CG1 4.29Å; F120-I193 HydrophobicContact CE2-CG2 4.48Å; F120-I193 HydrophobicContact CG-CB 4.31Å; F120-I193 HydrophobicContact CG-CD1 4.39Å; F120-I193 HydrophobicContact CG-CG1 3.5Å; F120-I193 VanDerWaalsContact CG-CG1 3.5Å; F120-I193 HydrophobicContact CG-CG2 4.32Å; F120-A196 HydrophobicContact CE2-CB 4.46Å; F120-A196 HydrophobicContact CZ-CB 3.79Å; F120-A197 HydrophobicContact CD2-CB 4.37Å; F120-A197 HydrophobicContact CE2-CB 3.91Å; F120-Y239 AromaticContact CE1-CE1 3.89Å; F120-Y239 HydrophobicContact CE1-CE1 3.89Å; F120-Y239 AromaticContact CE1-CZ 3.85Å; F120-Y239 HydrophobicContact CZ-CE1 4.16Å
121S96.9Very high93.1Very high24 Ų2453.4 Ų53.417%0.16828%0.284CS..Hα-helixtrans-59.5-40.1178.6-68.90000112.1F117 A118 K119 K125F117-S121 VanDerWaalsContact O-CB 3.25Å; F117-S121 WeakPolarHBondContact O-CB 3.16Å; F117-S121 PolarHBondContact O-N 2.85Å; F117-S121 PolarHBondContact O-OG 3.21Å; A118-S121 WeakPolarHBondContact O-CB 3.4Å; A118-S121 PolarHBondContact O-N 3.2Å; K119-S121 VanDerWaalsContact C-N 3.34Å; K119-S121 PolarHBondContact O-N 3.48Å; S121-K125 VanDerWaalsContact O-CB 3.26Å; S121-K125 WeakPolarHBondContact O-CB 3.33Å; S121-K125 WeakPolarHBondContact O-CD 3.44Å; S121-K125 WeakPolarHBondContact O-CG 3.44Å; S121-K125 PolarHBondContact O-N 2.96Å
122A96.5Very high93Very high43 Ų4351.2 Ų51.236%0.35527%0.272SS..Hα-helixtrans-66.5-42.7173.700000111.8A118 K119 F120 N126 F135A118-A122 PolarHBondContact O-N 3.2Å; K119-A122 PolarHBondContact O-N 2.78Å; F120-A122 VanDerWaalsContact C-N 3.29Å; F120-A122 PolarHBondContact O-N 3.34Å; A122-N126 PolarHBondContact O-N 3.34Å; A122-N126 VanDerWaalsContact O-N 3.12Å; A122-F135 HydrophobicContact CB-CD1 3.93Å; A122-F135 HydrophobicContact CB-CE1 3.9Å
123Y96.9Very high93.1Very high5 Ų558.6 Ų58.62%0.0230%0.303CS..Hα-helixtrans-62.9-49.7178.7175.7-120.4000113.3K119 F120 K125 N126 F135 E136 L139 R201 F203K119-Y123 WeakPolarHBondContact O-CB 3.37Å; K119-Y123 PolarHBondContact O-N 2.83Å; F120-Y123 WeakPolarHBondContact O-CB 3.46Å; F120-Y123 PolarHBondContact O-N 3.08Å; F120-Y123 VanDerWaalsContact O-N 3.08Å; Y123-K125 PolarHBondContact O-N 3.24Å; Y123-N126 WeakPolarHBondContact O-CB 3.25Å; Y123-N126 PolarHBondContact O-N 3.19Å; Y123-F135 HydrophobicContact CD2-CB 3.64Å; Y123-F135 HydrophobicContact CG-CB 4.31Å; Y123-E136 HydrophobicContact CD2-CB 4.27Å; Y123-E136 HydrophobicContact CE2-CB 3.67Å; Y123-E136 HydrophobicContact CE2-CG 4.31Å; Y123-L139 HydrophobicContact CD1-CD2 3.91Å; Y123-L139 HydrophobicContact CE1-CD2 4.39Å; Y123-L139 HydrophobicContact CG-CD2 4.49Å; Y123-R201 HydrophobicContact CD1-CG 4.35Å; Y123-R201 HydrophobicContact CE1-CB 3.76Å; Y123-R201 HydrophobicContact CE1-CG 3.66Å; Y123-R201 WeakPolarHBondContact OH-CB 3.29Å; Y123-F203 HydrophobicContact CE1-CB 4.19Å; Y123-F203 HydrophobicContact CE1-CG 4.34Å
124I96.4Very high93.7Very high0 Ų064.1 Ų64.10%033%0.332CS..Hα-helixtrans-71.7-31.1-175.7-159.964.3000112.1F120 Y200 R201 Y239 A243F120-I124 HydrophobicContact CD2-CB 4.37Å; F120-I124 HydrophobicContact CE1-CG2 4.11Å; F120-I124 HydrophobicContact CE2-CB 3.81Å; F120-I124 HydrophobicContact CE2-CD1 4.15Å; F120-I124 HydrophobicContact CE2-CG1 4.06Å; F120-I124 HydrophobicContact CE2-CG2 4.3Å; F120-I124 HydrophobicContact CZ-CB 3.87Å; F120-I124 HydrophobicContact CZ-CD1 4.4Å; F120-I124 HydrophobicContact CZ-CG1 3.94Å; F120-I124 HydrophobicContact CZ-CG2 3.94Å; F120-I124 WeakPolarHBondContact O-CG2 3.39Å; F120-I124 PolarHBondContact O-N 3.06Å; I124-Y200 HydrophobicContact CD1-CD2 4.45Å; I124-R201 HydrophobicContact CD1-CG 3.91Å; I124-R201 PolarHBondContact O-NH2 3.01Å; I124-Y239 HydrophobicContact CB-CD1 4.47Å; I124-Y239 HydrophobicContact CG1-CD1 3.83Å; I124-Y239 HydrophobicContact CG1-CE1 4.46Å; I124-Y239 HydrophobicContact CG1-CG 4.45Å; I124-Y239 HydrophobicContact CG2-CD1 3.75Å; I124-Y239 HydrophobicContact CG2-CE1 3.71Å; I124-A243 HydrophobicContact CD1-CB 4.41Å; I124-A243 HydrophobicContact CG1-CB 4.37Å; I124-A243 WeakPolarHBondContact O-CA 3.46Å
125K94.9Very high94.1Very high119 Ų11964.3 Ų64.352%0.51733%0.325SS..Hα-helixtrans-85.8-8177.7-65.3175.4177.9175.60113.4S121 Y123 T127 V242S121-K125 VanDerWaalsContact O-CB 3.26Å; S121-K125 WeakPolarHBondContact O-CB 3.33Å; S121-K125 WeakPolarHBondContact O-CD 3.44Å; S121-K125 WeakPolarHBondContact O-CG 3.44Å; S121-K125 PolarHBondContact O-N 2.96Å; Y123-K125 PolarHBondContact O-N 3.24Å; K125-T127 PolarHBondContact O-N 3.19Å; K125-V242 HydrophobicContact CG-CB 4.23Å; K125-V242 HydrophobicContact CG-CG2 4.38Å
126N92.4Very high94.3Very high12 Ų1264.2 Ų64.26%0.06432%0.323CS..  trans-64127.7178.5174.246.7000110.6A122 Y123 Q128 N132 F135 R201A122-N126 PolarHBondContact O-N 3.34Å; A122-N126 VanDerWaalsContact O-N 3.12Å; Y123-N126 WeakPolarHBondContact O-CB 3.25Å; Y123-N126 PolarHBondContact O-N 3.19Å; N126-Q128 PolarHBondContact ND2-O 2.93Å; N126-Q128 PolarHBondContact OD1-N 3.29Å; N126-Q128 VanDerWaalsContact OD1-N 3.09Å; N126-N132 PolarHBondContact ND2-OD1 3.02Å; N126-F135 HydrophobicContact CB-CD2 3.69Å; N126-F135 HydrophobicContact CB-CE2 3.73Å; N126-F135 HydrophobicContact CB-CG 4.45Å; N126-F135 VanDerWaalsContact CG-CE2 3.43Å; N126-F135 WeakPolarHBondContact OD1-CE2 3.49Å; N126-R201 PolarHBondContact O-NH2 3.09Å
127T91.1Very high94.4Very high54 Ų5471.6 Ų71.633%0.33136%0.355SS..  trans-99.4-12.4179.656.90000113.3K125 K246K125-T127 PolarHBondContact O-N 3.19Å; T127-K246 PolarHBondContact O-N 3.24Å
128Q90.8Very high94.5Very high125 Ų12571.4 Ų71.458%0.58436%0.358SS*.BIsolated β-bridgetrans-98.6110.9-174.7-62.2178.947.900111.1N126 E130 A131N126-Q128 PolarHBondContact ND2-O 2.93Å; N126-Q128 PolarHBondContact OD1-N 3.29Å; N126-Q128 VanDerWaalsContact OD1-N 3.09Å; Q128-E130 VanDerWaalsContact C-N 3.26Å; Q128-E130 PolarHBondContact O-N 3.12Å; Q128-A131 HydrophobicContact CB-CB 4.19Å; Q128-A131 PolarHBondContact O-N 3Å
129K85.9Confident94.6Very high145 Ų14568.7 Ų68.763%0.6334%0.336SS*.G310 helixtrans-58.6-36.3-174.5-168.1174.4-178.7177.20113.5A131 N132K129-A131 VanDerWaalsContact C-N 3.27Å; K129-A131 PolarHBondContact O-N 3.25Å; K129-N132 VanDerWaalsContact O-CB 3.29Å; K129-N132 WeakPolarHBondContact O-CB 3.48Å; K129-N132 PolarHBondContact O-N 3.23Å; K129-N132 PolarHBondContact O-ND2 3.49Å
130E89.4Confident94.6Very high180 Ų18067.2 Ų67.284%0.84133%0.331SS*.G310 helixtrans-62.8-32.9179-60.3175.1177.600112.7Q128 N132Q128-E130 VanDerWaalsContact C-N 3.26Å; Q128-E130 PolarHBondContact O-N 3.12Å; E130-N132 VanDerWaalsContact C-N 3.34Å
131A91.9Very high94.6Very high20 Ų2074.6 Ų74.617%0.16536%0.363CS..G310 helixtrans-81.5-11179.800000113.6Q128 K129 K133 N134 F135Q128-A131 HydrophobicContact CB-CB 4.19Å; Q128-A131 PolarHBondContact O-N 3Å; K129-A131 VanDerWaalsContact C-N 3.27Å; K129-A131 PolarHBondContact O-N 3.25Å; A131-K133 VanDerWaalsContact C-N 3.31Å; A131-K133 PolarHBondContact O-N 3.33Å; A131-N134 PolarHBondContact O-N 3.48Å; A131-F135 HydrophobicContact CB-CD2 4.02Å; A131-F135 HydrophobicContact CB-CE2 3.76Å; A131-F135 VanDerWaalsContact O-CD2 3.27Å; A131-F135 WeakPolarHBondContact O-CD2 3.27Å; A131-F135 PolarHBondContact O-N 2.92Å
132N91.1Very high94.7Very high24 Ų2474.4 Ų74.413%0.12836%0.36CS..Hα-helixtrans-54.2-46.1-175.7-77.6-21.9000112.3N126 K129 E130 N134 F135 E136 Q245N126-N132 PolarHBondContact ND2-OD1 3.02Å; K129-N132 VanDerWaalsContact O-CB 3.29Å; K129-N132 WeakPolarHBondContact O-CB 3.48Å; K129-N132 PolarHBondContact O-N 3.23Å; K129-N132 PolarHBondContact O-ND2 3.49Å; E130-N132 VanDerWaalsContact C-N 3.34Å; N132-N134 PolarHBondContact O-N 3.37Å; N132-F135 PolarHBondContact O-N 3.5Å; N132-E136 WeakPolarHBondContact O-CB 3.45Å; N132-E136 PolarHBondContact O-N 2.9Å; N132-Q245 PolarHBondContact ND2-NE2 3.18Å; N132-Q245 PolarHBondContact OD1-NE2 2.97Å; N132-Q245 VanDerWaalsContact OD1-NE2 3.08Å
133K93.4Very high94.7Very high167 Ų16772.4 Ų72.473%0.72634%0.343SS*.Hα-helixtrans-57.8-37.2-179.5-70.9-174176.8-1780112.4A131 K137A131-K133 VanDerWaalsContact C-N 3.31Å; A131-K133 PolarHBondContact O-N 3.33Å; K133-K137 VanDerWaalsContact O-CB 3.23Å; K133-K137 WeakPolarHBondContact O-CB 3.23Å; K133-K137 PolarHBondContact O-N 3.33Å
134N95.9Very high94.8Very high120 Ų12076.4 Ų76.464%0.64236%0.361SS*.Hα-helixtrans-72.7-42.6-179.5-68.6-22000111.6A131 N132 S138A131-N134 PolarHBondContact O-N 3.48Å; N132-N134 PolarHBondContact O-N 3.37Å; N134-S138 PolarHBondContact O-N 3.29Å
135F96.6Very high94.9Very high69 Ų6980.9 Ų80.930%0.30338%0.378SS..Hα-helixtrans-67.5-41176.5-73.3-66.4000112.1A122 Y123 N126 A131 N132 S138 L139A122-F135 HydrophobicContact CB-CD1 3.93Å; A122-F135 HydrophobicContact CB-CE1 3.9Å; Y123-F135 HydrophobicContact CD2-CB 3.64Å; Y123-F135 HydrophobicContact CG-CB 4.31Å; N126-F135 HydrophobicContact CB-CD2 3.69Å; N126-F135 HydrophobicContact CB-CE2 3.73Å; N126-F135 HydrophobicContact CB-CG 4.45Å; N126-F135 VanDerWaalsContact CG-CE2 3.43Å; N126-F135 WeakPolarHBondContact OD1-CE2 3.49Å; A131-F135 HydrophobicContact CB-CD2 4.02Å; A131-F135 HydrophobicContact CB-CE2 3.76Å; A131-F135 VanDerWaalsContact O-CD2 3.27Å; A131-F135 WeakPolarHBondContact O-CD2 3.27Å; A131-F135 PolarHBondContact O-N 2.92Å; N132-F135 PolarHBondContact O-N 3.5Å; F135-S138 WeakPolarHBondContact O-CB 3.45Å; F135-S138 PolarHBondContact O-N 3.24Å; F135-L139 PolarHBondContact O-N 3.03Å
136E97Very high95.1Very high66 Ų6675.3 Ų75.331%0.30835%0.353SS..Hα-helixtrans-61.5-47.7174.6-172176.6170.500111.1Y123 N132 S138 L139 L140 F203Y123-E136 HydrophobicContact CD2-CB 4.27Å; Y123-E136 HydrophobicContact CE2-CB 3.67Å; Y123-E136 HydrophobicContact CE2-CG 4.31Å; N132-E136 WeakPolarHBondContact O-CB 3.45Å; N132-E136 PolarHBondContact O-N 2.9Å; E136-S138 PolarHBondContact O-N 3.45Å; E136-L139 WeakPolarHBondContact O-CB 3.4Å; E136-L139 PolarHBondContact O-N 3.35Å; E136-L140 HydrophobicContact CG-CD1 4.21Å; E136-L140 HydrophobicContact CG-CG 4.49Å; E136-L140 WeakPolarHBondContact O-CG 3.43Å; E136-L140 PolarHBondContact O-N 2.86Å; E136-F203 HydrophobicContact CG-CD2 3.98Å; E136-F203 HydrophobicContact CG-CE2 4.02Å
137K97.6Very high95.4Very high155 Ų15575.1 Ų75.167%0.67435%0.352SS*.Hα-helixtrans-57.5-38.1174.1-173.6176.8-177.41780112.1K133 K141K133-K137 VanDerWaalsContact O-CB 3.23Å; K133-K137 WeakPolarHBondContact O-CB 3.23Å; K133-K137 PolarHBondContact O-N 3.33Å; K137-K141 PolarHBondContact O-N 3.35Å
138S97.4Very high95.7Very high35 Ų3575.8 Ų75.825%0.24535%0.354CS..Hα-helixtrans-67.8-35.3175.4-172.60000112.6K119 N134 F135 E136K119-S138 WeakPolarHBondContact CD-OG 3.49Å; N134-S138 PolarHBondContact O-N 3.29Å; F135-S138 WeakPolarHBondContact O-CB 3.45Å; F135-S138 PolarHBondContact O-N 3.24Å; E136-S138 PolarHBondContact O-N 3.45Å
139L97.9Very high96.1Very high0 Ų071.7 Ų71.70%033%0.333CS..Hα-helixtrans-70.5-44.8175.6178.858.7000110.9L116 K119 F120 Y123 F135 E136 K141 E142 F143 F203L116-L139 HydrophobicContact CD1-CD1 3.91Å; L116-L139 HydrophobicContact CG-CD1 4.49Å; K119-L139 HydrophobicContact CB-CD1 4.35Å; F120-L139 HydrophobicContact CB-CD1 4Å; F120-L139 HydrophobicContact CB-CD2 4.49Å; F120-L139 HydrophobicContact CD2-CD2 4.48Å; Y123-L139 HydrophobicContact CD1-CD2 3.91Å; Y123-L139 HydrophobicContact CE1-CD2 4.39Å; Y123-L139 HydrophobicContact CG-CD2 4.49Å; F135-L139 PolarHBondContact O-N 3.03Å; E136-L139 WeakPolarHBondContact O-CB 3.4Å; E136-L139 PolarHBondContact O-N 3.35Å; L139-K141 VanDerWaalsContact C-N 3.27Å; L139-K141 PolarHBondContact O-N 3.25Å; L139-E142 PolarHBondContact O-N 3.4Å; L139-E142 VanDerWaalsContact O-N 3.08Å; L139-F143 HydrophobicContact CD1-CD2 4.07Å; L139-F143 HydrophobicContact CD1-CE2 3.81Å; L139-F143 HydrophobicContact CD2-CE2 4.23Å; L139-F143 HydrophobicContact CG-CD2 3.93Å; L139-F143 HydrophobicContact CG-CE2 3.81Å; L139-F143 PolarHBondContact O-N 2.97Å; L139-F203 HydrophobicContact CD2-CE1 4.11Å; L139-F203 HydrophobicContact CD2-CZ 4.11Å; L139-F203 HydrophobicContact CG-CZ 4.48Å
140L98.4Very high96.7Very high48 Ų4864.8 Ų64.825%0.25130%0.303SS..Hα-helixtrans-58.7-37.2175.9-72.7173.4000112.4E136 E142 F143 K144 F203 P206 F209E136-L140 HydrophobicContact CG-CD1 4.21Å; E136-L140 HydrophobicContact CG-CG 4.49Å; E136-L140 WeakPolarHBondContact O-CG 3.43Å; E136-L140 PolarHBondContact O-N 2.86Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.32Å; L140-F143 PolarHBondContact O-N 2.94Å; L140-K144 WeakPolarHBondContact O-CB 3.37Å; L140-K144 PolarHBondContact O-N 2.97Å; L140-F203 HydrophobicContact CD2-CE2 3.84Å; L140-F203 HydrophobicContact CD2-CZ 3.97Å; L140-F203 HydrophobicContact CG-CE2 4.21Å; L140-P206 HydrophobicContact CD2-CG 3.48Å; L140-P206 VanDerWaalsContact CD2-CG 3.48Å; L140-F209 HydrophobicContact CD2-CE2 3.88Å; L140-F209 HydrophobicContact CD2-CZ 4.25Å
141K98.1Very high97.1Very high156 Ų15657.5 Ų57.568%0.67827%0.27SS*.Hα-helixtrans-61.8-39.5174.7-175.3176.5178.6-178.90112.5K137 L139 R145K137-K141 PolarHBondContact O-N 3.35Å; L139-K141 VanDerWaalsContact C-N 3.27Å; L139-K141 PolarHBondContact O-N 3.25Å; K141-R145 PolarHBondContact O-N 3.37Å; K141-R145 VanDerWaalsContact O-N 3.08Å
142E98.1Very high97.4Very high20 Ų2060.5 Ų60.59%0.09329%0.286CS..Hα-helixtrans-72.8-36.8176.4-64.7-57.714300111.8N115 L116 K119 L139 L140 R145 L146N115-E142 HydrophobicContact CB-CG 4.41Å; N115-E142 WeakPolarHBondContact CB-OE2 3.41Å; L116-E142 HydrophobicContact CB-CB 4.48Å; L116-E142 HydrophobicContact CD1-CB 3.55Å; K119-E142 HydrophobicContact CB-CG 4.32Å; K119-E142 HydrophobicContact CG-CG 3.58Å; L139-E142 PolarHBondContact O-N 3.4Å; L139-E142 VanDerWaalsContact O-N 3.08Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.32Å; E142-R145 PolarHBondContact O-N 3.37Å; E142-R145 IonicContact OE2-CZ 3.51Å; E142-R145 IonicContact OE2-NE 3.53Å; E142-R145 PolarHBondContact OE2-NE 3.3Å; E142-R145 IonicContact OE2-NH2 3.54Å; E142-L146 PolarHBondContact O-N 3.41Å
143F98.5Very high97.6Very high0 Ų060.4 Ų60.40%029%0.287CS..Hα-helixtrans-61.8-43.2171.2-87.3-65.9000112.1L116 L139 L140 R145 L146 D147 L190 I193 F203 I205 F209 V212L116-F143 HydrophobicContact CD1-CD1 4.16Å; L116-F143 HydrophobicContact CD1-CD2 4Å; L116-F143 HydrophobicContact CD1-CE1 4.28Å; L116-F143 HydrophobicContact CD1-CE2 4.13Å; L116-F143 HydrophobicContact CD1-CG 4.01Å; L116-F143 HydrophobicContact CD1-CZ 4.26Å; L116-F143 HydrophobicContact CD2-CE1 4.12Å; L116-F143 HydrophobicContact CD2-CZ 4.35Å; L139-F143 HydrophobicContact CD1-CD2 4.07Å; L139-F143 HydrophobicContact CD1-CE2 3.81Å; L139-F143 HydrophobicContact CD2-CE2 4.23Å; L139-F143 HydrophobicContact CG-CD2 3.93Å; L139-F143 HydrophobicContact CG-CE2 3.81Å; L139-F143 PolarHBondContact O-N 2.97Å; L140-F143 PolarHBondContact O-N 2.94Å; F143-R145 VanDerWaalsContact C-N 3.3Å; F143-R145 PolarHBondContact O-N 2.91Å; F143-L146 PolarHBondContact O-N 2.87Å; F143-D147 WeakPolarHBondContact O-CB 3.38Å; F143-D147 PolarHBondContact O-N 3.1Å; F143-L190 HydrophobicContact CE1-CD2 3.79Å; F143-L190 HydrophobicContact CZ-CD2 4.32Å; F143-I193 HydrophobicContact CE2-CG2 4.11Å; F143-I193 HydrophobicContact CZ-CG2 3.82Å; F143-F203 HydrophobicContact CD2-CZ 4.27Å; F143-F203 AromaticContact CE2-CE1 3.96Å; F143-F203 HydrophobicContact CE2-CE1 3.96Å; F143-F203 HydrophobicContact CE2-CZ 4.08Å; F143-I205 HydrophobicContact CD1-CG2 4.22Å; F143-I205 HydrophobicContact CE1-CD1 3.73Å; F143-I205 HydrophobicContact CE1-CG1 3.94Å; F143-I205 HydrophobicContact CE1-CG2 4.19Å; F143-I205 HydrophobicContact CE2-CG1 4.32Å; F143-I205 HydrophobicContact CZ-CD1 3.8Å; F143-I205 HydrophobicContact CZ-CG1 3.72Å; F143-F209 HydrophobicContact CB-CD2 3.75Å; F143-F209 HydrophobicContact CB-CE2 3.5Å; F143-F209 HydrophobicContact CB-CZ 4.31Å; F143-F209 HydrophobicContact CG-CD2 4.43Å; F143-F209 HydrophobicContact CG-CE2 4.39Å; F143-V212 HydrophobicContact CD1-CG1 4.24Å; F143-V212 HydrophobicContact CD1-CG2 4.44Å; F143-V212 HydrophobicContact CE1-CG1 4.32Å
144K98.4Very high97.7Very high90 Ų9053 Ų5339%0.39126%0.256SS..Hα-helixtrans-59.5-41.9174.7-176.460.7166.678.70111.7L140 L146 D147 D148 F209L140-K144 WeakPolarHBondContact O-CB 3.37Å; L140-K144 PolarHBondContact O-N 2.97Å; K144-L146 VanDerWaalsContact C-N 3.35Å; K144-L146 PolarHBondContact O-N 3.4Å; K144-D147 PolarHBondContact O-N 3.01Å; K144-D148 IonicContact NZ-OD1 2.66Å; K144-D148 PolarHBondContact NZ-OD1 3.03Å; K144-D148 IonicContact NZ-OD2 3.46Å; K144-D148 PolarHBondContact NZ-OD2 3.37Å; K144-D148 WeakPolarHBondContact O-CB 3.26Å; K144-D148 PolarHBondContact O-N 3.43Å; K144-F209 HydrophobicContact CB-CE1 4.14Å; K144-F209 HydrophobicContact CB-CZ 4.31Å; K144-F209 HydrophobicContact CD-CD1 4.33Å; K144-F209 HydrophobicContact CD-CE1 3.86Å
145R98.3Very high97.5Very high94 Ų9453.7 Ų53.736%0.35526%0.258SS..Hα-helixtrans-62-41.9176.3-168.1-179.874.8152.97.4112D111 V112 K141 E142 F143 Y149D111-R145 PolarHBondContact O-NH2 2.89Å; V112-R145 VanDerWaalsContact C-NH2 3.27Å; V112-R145 HydrophobicContact CG2-CG 4.43Å; V112-R145 PolarHBondContact O-NH2 3.18Å; K141-R145 PolarHBondContact O-N 3.37Å; K141-R145 VanDerWaalsContact O-N 3.08Å; E142-R145 PolarHBondContact O-N 3.37Å; E142-R145 IonicContact OE2-CZ 3.51Å; E142-R145 IonicContact OE2-NE 3.53Å; E142-R145 PolarHBondContact OE2-NE 3.3Å; E142-R145 IonicContact OE2-NH2 3.54Å; F143-R145 VanDerWaalsContact C-N 3.3Å; F143-R145 PolarHBondContact O-N 2.91Å; R145-Y149 PolarHBondContact O-N 2.88Å; R145-Y149 VanDerWaalsContact O-N 3.15Å
146L98.6Very high97.2Very high1 Ų154.2 Ų54.21%0.00527%0.265CS..Hα-helixtrans-66-43.1174.7178.462.9000111.8V112 L116 E142 F143 K144 Y149 L150 L174 L186 L190 V212V112-L146 HydrophobicContact CG1-CD1 3.87Å; V112-L146 HydrophobicContact CG2-CB 4.35Å; V112-L146 HydrophobicContact CG2-CD1 4.08Å; L116-L146 HydrophobicContact CD2-CD2 4.33Å; E142-L146 PolarHBondContact O-N 3.41Å; F143-L146 PolarHBondContact O-N 2.87Å; K144-L146 VanDerWaalsContact C-N 3.35Å; K144-L146 PolarHBondContact O-N 3.4Å; L146-Y149 PolarHBondContact O-N 3.27Å; L146-L150 HydrophobicContact CD1-CD1 4.04Å; L146-L150 HydrophobicContact CD1-CG 4.29Å; L146-L150 HydrophobicContact CG-CD1 3.9Å; L146-L150 WeakPolarHBondContact O-CB 3.38Å; L146-L150 WeakPolarHBondContact O-CG 3.25Å; L146-L150 PolarHBondContact O-N 3.31Å; L146-L174 HydrophobicContact CD1-CD2 3.92Å; L146-L186 HydrophobicContact CD1-CD2 3.81Å; L146-L186 HydrophobicContact CD2-CD2 4.03Å; L146-L190 HydrophobicContact CD2-CD1 4.4Å; L146-L190 HydrophobicContact CD2-CD2 4.37Å; L146-V212 HydrophobicContact CB-CG2 4.33Å; L146-V212 HydrophobicContact CD2-CG2 4.06Å; L146-V212 HydrophobicContact CG-CG2 4Å
147D98.6Very high96.8Very high8 Ų853.8 Ų53.84%0.04326%0.262CS..Hα-helixtrans-61.9-45.1178.1-166.668.3000112.1F143 K144 Y149 L150 N151 F209 S210 G211 V212F143-D147 WeakPolarHBondContact O-CB 3.38Å; F143-D147 PolarHBondContact O-N 3.1Å; K144-D147 PolarHBondContact O-N 3.01Å; D147-Y149 VanDerWaalsContact C-N 3.33Å; D147-Y149 PolarHBondContact O-N 3.1Å; D147-L150 PolarHBondContact O-N 3.17Å; D147-N151 WeakPolarHBondContact O-CB 3.37Å; D147-N151 PolarHBondContact O-N 3.25Å; D147-N151 PolarHBondContact O-ND2 2.75Å; D147-N151 PolarHBondContact OD2-ND2 2.85Å; D147-N151 VanDerWaalsContact OD2-ND2 3.16Å; D147-F209 HydrophobicContact CB-CB 4.09Å; D147-F209 HydrophobicContact CB-CD1 4.19Å; D147-F209 HydrophobicContact CB-CG 4.31Å; D147-F209 VanDerWaalsContact CG-CA 3.49Å; D147-F209 WeakPolarHBondContact OD1-CA 3.48Å; D147-F209 WeakPolarHBondContact OD1-CB 3.45Å; D147-S210 PolarHBondContact OD1-N 3.34Å; D147-G211 VanDerWaalsContact OD1-CA 3.24Å; D147-G211 WeakPolarHBondContact OD1-CA 3.21Å; D147-G211 PolarHBondContact OD1-N 2.9Å; D147-V212 HydrophobicContact CB-CG2 3.82Å; D147-V212 PolarHBondContact OD1-N 3.34Å
148D98.3Very high96.3Very high68 Ų6849 Ų4936%0.36424%0.244SC..Hα-helixtrans-61-43.7176.8-74-23.1000111.6K144 N151 T152K144-D148 IonicContact NZ-OD1 2.66Å; K144-D148 PolarHBondContact NZ-OD1 3.03Å; K144-D148 IonicContact NZ-OD2 3.46Å; K144-D148 PolarHBondContact NZ-OD2 3.37Å; K144-D148 WeakPolarHBondContact O-CB 3.26Å; K144-D148 PolarHBondContact O-N 3.43Å; D148-N151 PolarHBondContact O-N 3.1Å; D148-T152 WeakPolarHBondContact O-CB 3.5Å; D148-T152 PolarHBondContact O-N 3.32Å; D148-T152 PolarHBondContact O-OG1 3.16Å
149Y98.3Very high95.4Very high39 Ų3951.4 Ų51.415%0.15325%0.254CS..Hα-helixtrans-61.6-48.1175.4-179.4-102.3000111.7E108 S109 V112 R145 L146 D147 N151 T152 L154 R171 L174E108-Y149 HydrophobicContact CB-CE2 3.85Å; S109-Y149 PolarHBondContact OG-OH 3.19Å; V112-Y149 HydrophobicContact CB-CD1 4.29Å; V112-Y149 HydrophobicContact CB-CG 4.2Å; V112-Y149 HydrophobicContact CG1-CD1 3.81Å; V112-Y149 HydrophobicContact CG1-CE1 4.14Å; V112-Y149 HydrophobicContact CG1-CG 4.22Å; V112-Y149 HydrophobicContact CG2-CD1 4.28Å; V112-Y149 HydrophobicContact CG2-CG 3.95Å; R145-Y149 PolarHBondContact O-N 2.88Å; R145-Y149 VanDerWaalsContact O-N 3.15Å; L146-Y149 PolarHBondContact O-N 3.27Å; D147-Y149 VanDerWaalsContact C-N 3.33Å; D147-Y149 PolarHBondContact O-N 3.1Å; Y149-N151 VanDerWaalsContact C-N 3.26Å; Y149-N151 PolarHBondContact O-N 2.99Å; Y149-T152 PolarHBondContact O-N 3.46Å; Y149-T152 VanDerWaalsContact O-O 3.11Å; Y149-L154 HydrophobicContact CE2-CD2 4.24Å; Y149-L154 WeakPolarHBondContact OH-CD2 3.31Å; Y149-R171 VanDerWaalsContact CE1-NH2 3.31Å; Y149-R171 PolarHBondContact O-NH2 3.4Å; Y149-L174 HydrophobicContact CD1-CD2 4.3Å; Y149-L174 HydrophobicContact CE1-CD2 4.21Å; Y149-L174 WeakPolarHBondContact CE1-O 3.48Å
150L98.4Very high94.4Very high1 Ų156.8 Ų56.81%0.00529%0.289CS..Hα-helixtrans-63.8-30.1179.3-74.2167.2000112.6L146 D147 S169 R171 L174 V212 R214 Y215L146-L150 HydrophobicContact CD1-CD1 4.04Å; L146-L150 HydrophobicContact CD1-CG 4.29Å; L146-L150 HydrophobicContact CG-CD1 3.9Å; L146-L150 WeakPolarHBondContact O-CB 3.38Å; L146-L150 WeakPolarHBondContact O-CG 3.25Å; L146-L150 PolarHBondContact O-N 3.31Å; D147-L150 PolarHBondContact O-N 3.17Å; L150-S169 WeakPolarHBondContact O-CB 3.37Å; L150-R171 PolarHBondContact O-NH1 2.92Å; L150-L174 HydrophobicContact CD2-CD2 4.11Å; L150-V212 HydrophobicContact CD1-CG2 4.17Å; L150-R214 PolarHBondContact O-NH2 2.75Å; L150-Y215 HydrophobicContact CD1-CD1 4.18Å; L150-Y215 HydrophobicContact CD1-CG 4.09Å; L150-Y215 HydrophobicContact CD2-CD2 4.34Å; L150-Y215 HydrophobicContact CD2-CG 4.19Å
151N98.2Very high93.4Very high26 Ų2661.8 Ų61.814%0.13932%0.316CS..Hα-helixtrans-88.8-16.8178.4-73.6-33.6000113.6D147 D148 Y149 V168 S169 G211 R214D147-N151 WeakPolarHBondContact O-CB 3.37Å; D147-N151 PolarHBondContact O-N 3.25Å; D147-N151 PolarHBondContact O-ND2 2.75Å; D147-N151 PolarHBondContact OD2-ND2 2.85Å; D147-N151 VanDerWaalsContact OD2-ND2 3.16Å; D148-N151 PolarHBondContact O-N 3.1Å; Y149-N151 VanDerWaalsContact C-N 3.26Å; Y149-N151 PolarHBondContact O-N 2.99Å; N151-V168 HydrophobicContact CB-CG1 4.36Å; N151-V168 CarbonylContact O-C 3.59Å; N151-V168 WeakPolarHBondContact O-CA 3.33Å; N151-S169 PolarHBondContact O-N 3.3Å; N151-G211 PolarHBondContact ND2-N 2.69Å; N151-G211 VanDerWaalsContact OD1-CA 3.32Å; N151-G211 WeakPolarHBondContact OD1-CA 3.5Å; N151-R214 PolarHBondContact OD1-NH1 3.37Å
152T97.3Very high92.5Very high83 Ų8356.8 Ų56.851%0.50930%0.3SS..SBendtrans-83.8124.3175-56.40000109.7D148 Y149 R171D148-T152 WeakPolarHBondContact O-CB 3.5Å; D148-T152 PolarHBondContact O-N 3.32Å; D148-T152 PolarHBondContact O-OG1 3.16Å; Y149-T152 PolarHBondContact O-N 3.46Å; Y149-T152 VanDerWaalsContact O-O 3.11Å; T152-R171 PolarHBondContact O-NH1 3.09Å
153P95.9Very high91.2Very high23 Ų2361.1 Ų61.115%0.14934%0.339CS..PPolyproline II helixtrans-57.1139.7173.6-14.922.2000112.5E157 I158 P166P153-E157 HydrophobicContact CB-CB 4.07Å; P153-I158 HydrophobicContact CB-CG1 4.24Å; P153-P166 HydrophobicContact CB-CG 4.16Å; P153-P166 HydrophobicContact CG-CB 4.24Å; P153-P166 HydrophobicContact CG-CG 4.09Å; P153-P166 WeakPolarHBondContact CG-O 3.4Å
154L95.4Very high90.1Very high12 Ų1269 Ų696%0.06338%0.376CS..PPolyproline II helixtrans-73162.6167.8-58.8175.1000110.4Y106 Y149 D156 E157Y106-L154 HydrophobicContact CD2-CB 4.46Å; Y106-L154 HydrophobicContact CD2-CD1 3.9Å; Y106-L154 HydrophobicContact CD2-CD2 4.04Å; Y106-L154 HydrophobicContact CD2-CG 4.36Å; Y106-L154 HydrophobicContact CE2-CB 3.8Å; Y106-L154 HydrophobicContact CE2-CD1 3.77Å; Y106-L154 HydrophobicContact CE2-CD2 4.23Å; Y106-L154 HydrophobicContact CE2-CG 4.13Å; Y106-L154 HydrophobicContact CG-CD2 4.47Å; Y149-L154 HydrophobicContact CE2-CD2 4.24Å; Y149-L154 WeakPolarHBondContact OH-CD2 3.31Å; L154-D156 VanDerWaalsContact CB-OD1 3.28Å; L154-D156 WeakPolarHBondContact CB-OD1 3.45Å; L154-D156 PolarHBondContact O-N 3.05Å; L154-E157 HydrophobicContact CB-CG 4.29Å; L154-E157 WeakPolarHBondContact CG-OE1 3.5Å; L154-E157 PolarHBondContact N-OE1 3.32Å; L154-E157 WeakPolarHBondContact O-CB 3.26Å; L154-E157 PolarHBondContact O-N 2.93Å
155L92.1Very high88.8Confident133 Ų13371 Ų7170%0.69639%0.387SS*.G310 helixtrans-61.6-31.6-177-67.5175.8000113.1Y106 E157 I158Y106-L155 HydrophobicContact CE1-CB 4.3Å; Y106-L155 HydrophobicContact CE1-CD1 4.42Å; Y106-L155 PolarHBondContact OH-N 3.32Å; L155-E157 VanDerWaalsContact C-N 3.3Å; L155-I158 PolarHBondContact O-N 2.98Å
156D89.4Confident87.6Confident81 Ų8169 Ų6943%0.43339%0.386SS..G310 helixtrans-80.5-8.6177.159.2-32.3000113.6K105 Y106 L154K105-D156 IonicContact NZ-OD2 2.71Å; K105-D156 PolarHBondContact NZ-OD2 2.95Å; Y106-D156 VanDerWaalsContact CE2-OD1 3.3Å; Y106-D156 WeakPolarHBondContact CE2-OD1 3.42Å; Y106-D156 PolarHBondContact OH-N 3.33Å; Y106-D156 PolarHBondContact OH-OD1 3.08Å; L154-D156 VanDerWaalsContact CB-OD1 3.28Å; L154-D156 WeakPolarHBondContact CB-OD1 3.45Å; L154-D156 PolarHBondContact O-N 3.05Å
157E88.9Confident86.9Confident56 Ų5675.3 Ų75.326%0.26243%0.425SS..G310 helixtrans-86-12.3168.8-63.6178.7-102.700112.1P153 L154 L155 P166 S169 R171P153-E157 HydrophobicContact CB-CB 4.07Å; L154-E157 HydrophobicContact CB-CG 4.29Å; L154-E157 WeakPolarHBondContact CG-OE1 3.5Å; L154-E157 PolarHBondContact N-OE1 3.32Å; L154-E157 WeakPolarHBondContact O-CB 3.26Å; L154-E157 PolarHBondContact O-N 2.93Å; L155-E157 VanDerWaalsContact C-N 3.3Å; E157-P166 WeakPolarHBondContact O-CG 3.2Å; E157-S169 VanDerWaalsContact CD-OG 3.25Å; E157-S169 PolarHBondContact OE1-OG 3.42Å; E157-S169 VanDerWaalsContact OE1-OG 3.05Å; E157-S169 PolarHBondContact OE2-OG 3.37Å; E157-R171 WeakPolarHBondContact OE1-CD 3.39Å; E157-R171 IonicContact OE1-NH1 3.31Å; E157-R171 PolarHBondContact OE1-NH1 3.43Å
158I87.1Confident86.6Confident55 Ų5578.7 Ų78.728%0.28245%0.446SS..  trans-95.6113.2-176.8-56.9170.8000108.8P153 L155 P160 E165P153-I158 HydrophobicContact CB-CG1 4.24Å; L155-I158 PolarHBondContact O-N 2.98Å; I158-P160 WeakPolarHBondContact O-CD 3.49Å; I158-E165 HydrophobicContact CG2-CG 4.18Å
159D79.8Confident86.5Confident86 Ų8675.5 Ų75.546%0.4643%0.429SS..  trans-86.8112.5172.4-178.2-4.3000109.6D161 S162D159-D161 PolarHBondContact O-N 3Å; D159-D161 PolarHBondContact OD1-N 3.1Å; D159-S162 WeakPolarHBondContact O-CB 3.18Å; D159-S162 PolarHBondContact O-N 2.59Å
160P76.1Confident86.4Confident112 Ų11283.9 Ų83.973%0.72746%0.46SS*.THydrogen-bonded Turntrans-67.7-17.6-177.930.5-36.5000113.2I158I158-P160 WeakPolarHBondContact O-CD 3.49Å
161D77.9Confident86.4Confident154 Ų15484 Ų8482%0.82446%0.461SS*.THydrogen-bonded Turntrans-97.5-4.4179.2-65.1-41.8000112.2D159D159-D161 PolarHBondContact O-N 3Å; D159-D161 PolarHBondContact OD1-N 3.1Å
162S78.9Confident86.4Confident51 Ų5186.1 Ų86.136%0.35747%0.471SS..  trans-77.7134.3174.6178.80000111.1D159 E164D159-S162 WeakPolarHBondContact O-CB 3.18Å; D159-S162 PolarHBondContact O-N 2.59Å; S162-E164 PolarHBondContact O-N 2.7Å; S162-E164 PolarHBondContact OG-N 3.35Å; S162-E164 VanDerWaalsContact OG-N 3.15Å; S162-E164 PolarHBondContact OG-O 3.32Å
163A71.4Confident86.4Confident110 Ų11082.3 Ų82.391%0.90945%0.448SS*.SBendtrans-69.1-16.5172.600000113
164E75.1Confident86.6Confident166 Ų16681.2 Ų81.278%0.77644%0.44SS*.SBendtrans-123.5105.7178-64.5-175.1-175.400109.4S162S162-E164 PolarHBondContact O-N 2.7Å; S162-E164 PolarHBondContact OG-N 3.35Å; S162-E164 VanDerWaalsContact OG-N 3.15Å; S162-E164 PolarHBondContact OG-O 3.32Å
165E71.3Confident86.7Confident133 Ų13381 Ų8162%0.62144%0.44SS*.  trans-71134.9167.2-69.3-176.2177.600109.1I158 T167I158-E165 HydrophobicContact CG2-CG 4.18Å; E165-T167 PolarHBondContact O-N 2.92Å; E165-T167 VanDerWaalsContact O-N 3.09Å
166P72.3Confident87Confident52 Ų5275.4 Ų75.434%0.33841%0.413SS..  trans-61.8119.8176.524.9-31.3000109P153 E157 V168P153-P166 HydrophobicContact CB-CG 4.16Å; P153-P166 HydrophobicContact CG-CB 4.24Å; P153-P166 HydrophobicContact CG-CG 4.09Å; P153-P166 WeakPolarHBondContact CG-O 3.4Å; E157-P166 WeakPolarHBondContact O-CG 3.2Å; P166-V168 VanDerWaalsContact C-N 3.32Å
167T84Confident87.4Confident132 Ų13275.8 Ų75.881%0.8142%0.416SS*.SBendtrans-80.3-19.4177.952.20000112.5E165E165-T167 PolarHBondContact O-N 2.92Å; E165-T167 VanDerWaalsContact O-N 3.09Å
168V92.9Very high87.8Confident80 Ų8079.5 Ų79.549%0.48543%0.433SS..SBendtrans-139.7126.1179.4-176.90000109.2N151 P166N151-V168 HydrophobicContact CB-CG1 4.36Å; N151-V168 CarbonylContact O-C 3.59Å; N151-V168 WeakPolarHBondContact O-CA 3.33Å; P166-V168 VanDerWaalsContact C-N 3.32Å
169S96.3Very high88.4Confident1 Ų177.2 Ų77.21%0.00742%0.421CS..  trans-66.6145.5175.8-177.80000111.9L150 N151 E157 R171 R214L150-S169 WeakPolarHBondContact O-CB 3.37Å; N151-S169 PolarHBondContact O-N 3.3Å; E157-S169 VanDerWaalsContact CD-OG 3.25Å; E157-S169 PolarHBondContact OE1-OG 3.42Å; E157-S169 VanDerWaalsContact OE1-OG 3.05Å; E157-S169 PolarHBondContact OE2-OG 3.37Å; S169-R171 VanDerWaalsContact CB-NH1 3.33Å; S169-R171 WeakPolarHBondContact OG-CG 3.37Å; S169-R171 PolarHBondContact OG-N 3.36Å; S169-R171 PolarHBondContact OG-NH1 2.94Å; S169-R214 PolarHBondContact O-NH1 3.23Å; S169-R214 PolarHBondContact O-NH2 3.4Å
170R95.4Very high89.3Confident214 Ų21473.7 Ų73.781%0.80840%0.403SS*.  trans-120.29.9172.6-63.2-175.4-179.2175.81.8112.9
171R97.8Very high90.3Very high5 Ų568.8 Ų68.82%0.01937%0.37CS..  trans-54.1150.4179.573.4-179.3178.4-84.46.3111.8Y149 L150 T152 E157 S169 F173 L174 D177 R214Y149-R171 VanDerWaalsContact CE1-NH2 3.31Å; Y149-R171 PolarHBondContact O-NH2 3.4Å; L150-R171 PolarHBondContact O-NH1 2.92Å; T152-R171 PolarHBondContact O-NH1 3.09Å; E157-R171 WeakPolarHBondContact OE1-CD 3.39Å; E157-R171 IonicContact OE1-NH1 3.31Å; E157-R171 PolarHBondContact OE1-NH1 3.43Å; S169-R171 VanDerWaalsContact CB-NH1 3.33Å; S169-R171 WeakPolarHBondContact OG-CG 3.37Å; S169-R171 PolarHBondContact OG-N 3.36Å; S169-R171 PolarHBondContact OG-NH1 2.94Å; R171-F173 WeakPolarHBondContact CD-O 3.37Å; R171-F173 VanDerWaalsContact CG-O 3.26Å; R171-F173 WeakPolarHBondContact CG-O 3.33Å; R171-F173 PolarHBondContact NE-O 2.92Å; R171-L174 PolarHBondContact NE-O 3.32Å; R171-L174 PolarHBondContact NH2-O 3.08Å; R171-D177 WeakPolarHBondContact CA-OD1 3.3Å; R171-R214 PolarHBondContact O-NE 3.45Å
172L98.5Very high91.3Very high69 Ų6961.5 Ų61.536%0.36133%0.332SS..SBendtrans-75.6-39.8-174.5-57.1-177.5000112.9D177 N218L172-D177 HydrophobicContact CD1-CB 4.2Å; L172-D177 HydrophobicContact CG-CB 4.24Å; L172-D177 PolarHBondContact N-OD1 3.24Å; L172-N218 WeakPolarHBondContact CA-ND2 3.34Å; L172-N218 PolarHBondContact O-ND2 3.46Å; L172-N218 VanDerWaalsContact O-ND2 3.09Å
173F98.7Very high92.3Very high3 Ų359.1 Ų59.11%0.01332%0.315CS..BIsolated β-bridgetrans-131.7-176.2-170.2-54.9-62.3000112.1R171 D175 G176 D177 L179 D183 Y215 N218 R222R171-F173 WeakPolarHBondContact CD-O 3.37Å; R171-F173 VanDerWaalsContact CG-O 3.26Å; R171-F173 WeakPolarHBondContact CG-O 3.33Å; R171-F173 PolarHBondContact NE-O 2.92Å; F173-D175 VanDerWaalsContact C-N 3.35Å; F173-D175 PolarHBondContact O-N 2.88Å; F173-G176 CarbonylContact C-O 3.55Å; F173-G176 WeakPolarHBondContact CA-O 3.22Å; F173-G176 WeakPolarHBondContact CB-O 3.36Å; F173-G176 PolarHBondContact N-O 2.74Å; F173-D177 WeakPolarHBondContact CE2-O 3.41Å; F173-L179 HydrophobicContact CD1-CD2 3.5Å; F173-L179 VanDerWaalsContact CD1-CD2 3.5Å; F173-L179 HydrophobicContact CD1-CG 4.22Å; F173-L179 HydrophobicContact CD2-CD2 4.23Å; F173-L179 HydrophobicContact CD2-CG 4.16Å; F173-L179 HydrophobicContact CE1-CD2 3.65Å; F173-L179 HydrophobicContact CE1-CG 4.1Å; F173-L179 HydrophobicContact CE2-CD2 4.36Å; F173-L179 HydrophobicContact CE2-CG 4.04Å; F173-L179 HydrophobicContact CG-CD2 3.81Å; F173-L179 HydrophobicContact CG-CG 4.26Å; F173-L179 HydrophobicContact CZ-CD2 4.1Å; F173-L179 HydrophobicContact CZ-CG 4.01Å; F173-D183 WeakPolarHBondContact CB-OD1 3.31Å; F173-Y215 HydrophobicContact CB-CE2 4.18Å; F173-Y215 HydrophobicContact CD1-CD2 4.2Å; F173-Y215 AromaticContact CD1-CE2 3.91Å; F173-Y215 HydrophobicContact CD1-CE2 3.91Å; F173-N218 HydrophobicContact CE1-CB 3.99Å; F173-N218 HydrophobicContact CZ-CB 4.42Å; F173-R222 HydrophobicContact CE1-CG 4.42Å; F173-R222 HydrophobicContact CZ-CG 3.88Å
174L98.4Very high93.5Very high0 Ų053.9 Ų53.90%027%0.272CS..THydrogen-bonded Turntrans-59.3-43.7-171-73.7167.8000113.2V112 L146 Y149 L150 R171 A182 D183 L186 Y215V112-L174 HydrophobicContact CG1-CD2 4.08Å; L146-L174 HydrophobicContact CD1-CD2 3.92Å; Y149-L174 HydrophobicContact CD1-CD2 4.3Å; Y149-L174 HydrophobicContact CE1-CD2 4.21Å; Y149-L174 WeakPolarHBondContact CE1-O 3.48Å; L150-L174 HydrophobicContact CD2-CD2 4.11Å; R171-L174 PolarHBondContact NE-O 3.32Å; R171-L174 PolarHBondContact NH2-O 3.08Å; L174-A182 HydrophobicContact CD1-CB 3.84Å; L174-D183 VanDerWaalsContact CB-OD1 3.31Å; L174-D183 WeakPolarHBondContact CB-OD1 3.42Å; L174-D183 WeakPolarHBondContact CD1-OD1 3.44Å; L174-D183 VanDerWaalsContact CG-OD1 3.24Å; L174-D183 WeakPolarHBondContact CG-OD1 3.26Å; L174-D183 PolarHBondContact N-OD1 3.06Å; L174-L186 HydrophobicContact CD1-CB 4.18Å; L174-L186 HydrophobicContact CD1-CD2 3.87Å; L174-L186 HydrophobicContact CD2-CD2 4.06Å; L174-L186 HydrophobicContact CG-CD2 4.47Å; L174-Y215 HydrophobicContact CG-CE2 4.22Å
175D98.2Very high94.6Very high9 Ų946.7 Ų46.75%0.04824%0.24CC..THydrogen-bonded Turntrans-112.714.1-169.4-152.479.7000113.3P104 K105 Y106 S109 F173 T180P104-D175 WeakPolarHBondContact CA-OD2 3.5Å; P104-D175 HydrophobicContact CB-CB 3.94Å; P104-D175 VanDerWaalsContact CB-CG 3.45Å; P104-D175 WeakPolarHBondContact CB-OD1 3.44Å; K105-D175 WeakPolarHBondContact CB-OD2 3.36Å; K105-D175 PolarHBondContact N-OD2 3.43Å; Y106-D175 WeakPolarHBondContact CB-OD1 3.46Å; Y106-D175 VanDerWaalsContact CD2-OD1 3.3Å; Y106-D175 WeakPolarHBondContact CD2-OD1 3.5Å; Y106-D175 PolarHBondContact N-OD1 2.82Å; S109-D175 PolarHBondContact OG-OD1 2.88Å; F173-D175 VanDerWaalsContact C-N 3.35Å; F173-D175 PolarHBondContact O-N 2.88Å; D175-T180 HydrophobicContact CB-CG2 3.83Å
176G97.8Very high95.9Very high14 Ų1440.6 Ų40.614%0.14421%0.212CC..BIsolated β-bridgetrans137.5-147.7-178.300000112.3F173F173-G176 CarbonylContact C-O 3.55Å; F173-G176 WeakPolarHBondContact CA-O 3.22Å; F173-G176 WeakPolarHBondContact CB-O 3.36Å; F173-G176 PolarHBondContact N-O 2.74Å
177D98.2Very high97.2Very high89 Ų8938.1 Ų38.148%0.47620%0.196SC..SBendtrans-96.21.4-173.9-66.6-21.2000114.5R171 L172 F173R171-D177 WeakPolarHBondContact CA-OD1 3.3Å; L172-D177 HydrophobicContact CD1-CB 4.2Å; L172-D177 HydrophobicContact CG-CB 4.24Å; L172-D177 PolarHBondContact N-OD1 3.24Å; F173-D177 WeakPolarHBondContact CE2-O 3.41Å
178Q98.2Very high97.9Very high135 Ų13531.9 Ų31.963%0.63116%0.157SC*.SBendtrans-115.4146.5174.8-61.5-57.5-48.700110.5
179L98.8Very high98.1Very high6 Ų629.4 Ų29.43%0.03114%0.14CC..  trans-68.6136.3173.6-74.3168.6000110.1L42 F173 D183 L187 R222L42-L179 HydrophobicContact CD1-CB 3.76Å; L42-L179 HydrophobicContact CD1-CD1 4.44Å; L42-L179 HydrophobicContact CD2-CB 3.95Å; L42-L179 HydrophobicContact CD2-CD1 3.93Å; F173-L179 HydrophobicContact CD1-CD2 3.5Å; F173-L179 VanDerWaalsContact CD1-CD2 3.5Å; F173-L179 HydrophobicContact CD1-CG 4.22Å; F173-L179 HydrophobicContact CD2-CD2 4.23Å; F173-L179 HydrophobicContact CD2-CG 4.16Å; F173-L179 HydrophobicContact CE1-CD2 3.65Å; F173-L179 HydrophobicContact CE1-CG 4.1Å; F173-L179 HydrophobicContact CE2-CD2 4.36Å; F173-L179 HydrophobicContact CE2-CG 4.04Å; F173-L179 HydrophobicContact CG-CD2 3.81Å; F173-L179 HydrophobicContact CG-CG 4.26Å; F173-L179 HydrophobicContact CZ-CD2 4.1Å; F173-L179 HydrophobicContact CZ-CG 4.01Å; L179-D183 HydrophobicContact CD2-CB 3.57Å; L179-L187 HydrophobicContact CD2-CD1 3.9Å; L179-R222 HydrophobicContact CD1-CB 4.37Å; L179-R222 HydrophobicContact CD1-CG 4.38Å
180T98.7Very high98.2Very high13 Ų1329.4 Ų29.48%0.0814%0.14CC..  trans-121.9176.4-179.267.10000111.5L102 D175 A182 D183 C184L102-T180 CarbonylContact O-C 3.28Å; L102-T180 VanDerWaalsContact O-CA 3.24Å; L102-T180 WeakPolarHBondContact O-CA 3.36Å; L102-T180 VanDerWaalsContact O-CB 3.24Å; L102-T180 WeakPolarHBondContact O-CB 3.3Å; D175-T180 HydrophobicContact CB-CG2 3.83Å; T180-A182 PolarHBondContact O-N 3.3Å; T180-A182 PolarHBondContact OG1-N 2.94Å; T180-D183 WeakPolarHBondContact CB-OD2 3.28Å; T180-D183 PolarHBondContact N-OD2 2.87Å; T180-D183 PolarHBondContact O-N 2.95Å; T180-D183 VanDerWaalsContact O-N 3.12Å; T180-D183 PolarHBondContact OG1-OD2 3.11Å; T180-C184 PolarHBondContact O-N 3.17Å; T180-C184 PolarHBondContact O-SG 2.86Å
181L98.5Very high98.4Very high8 Ų819.4 Ų19.44%0.04210%0.102CC..Hα-helixtrans-58.9-28.9171.3-61.9-178.3000112.6I39 E87 E91 L102 F110 S185I39-L181 HydrophobicContact CD1-CD2 3.73Å; I39-L181 HydrophobicContact CG1-CD2 3.65Å; I39-L181 HydrophobicContact CG2-CD2 4.3Å; E87-L181 HydrophobicContact CG-CD1 4.17Å; E87-L181 HydrophobicContact CG-CD2 4.22Å; E91-L181 HydrophobicContact CB-CD1 4.36Å; E91-L181 HydrophobicContact CG-CD1 4.13Å; L102-L181 HydrophobicContact CB-CD2 3.86Å; L102-L181 HydrophobicContact CB-CG 3.89Å; L102-L181 HydrophobicContact CD1-CD2 4.36Å; L102-L181 PolarHBondContact O-N 3.16Å; F110-L181 HydrophobicContact CE1-CB 4.22Å; F110-L181 HydrophobicContact CZ-CB 3.61Å; L181-S185 WeakPolarHBondContact O-CB 3.24Å; L181-S185 PolarHBondContact O-N 3.12Å
182A98.4Very high98.4Very high2 Ų219.2 Ų19.22%0.01710%0.102CC..Hα-helixtrans-65.7-42.117500000111.3P104 F110 L174 T180 S185 L186P104-A182 HydrophobicContact CB-CB 4.42Å; P104-A182 HydrophobicContact CG-CB 4.21Å; F110-A182 HydrophobicContact CD1-CB 4.07Å; F110-A182 HydrophobicContact CE1-CB 4.23Å; F110-A182 HydrophobicContact CG-CB 4.28Å; L174-A182 HydrophobicContact CD1-CB 3.84Å; T180-A182 PolarHBondContact O-N 3.3Å; T180-A182 PolarHBondContact OG1-N 2.94Å; A182-S185 WeakPolarHBondContact O-CB 3.35Å; A182-S185 PolarHBondContact O-N 2.91Å; A182-L186 PolarHBondContact O-N 3.25Å
183D98.8Very high98.4Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-66.8-44.1177.2-52.5-73.4000110.7F173 L174 L179 T180 S185 L186 L187 Y215F173-D183 WeakPolarHBondContact CB-OD1 3.31Å; L174-D183 VanDerWaalsContact CB-OD1 3.31Å; L174-D183 WeakPolarHBondContact CB-OD1 3.42Å; L174-D183 WeakPolarHBondContact CD1-OD1 3.44Å; L174-D183 VanDerWaalsContact CG-OD1 3.24Å; L174-D183 WeakPolarHBondContact CG-OD1 3.26Å; L174-D183 PolarHBondContact N-OD1 3.06Å; L179-D183 HydrophobicContact CD2-CB 3.57Å; T180-D183 WeakPolarHBondContact CB-OD2 3.28Å; T180-D183 PolarHBondContact N-OD2 2.87Å; T180-D183 PolarHBondContact O-N 2.95Å; T180-D183 VanDerWaalsContact O-N 3.12Å; T180-D183 PolarHBondContact OG1-OD2 3.11Å; D183-S185 PolarHBondContact O-N 3Å; D183-L186 PolarHBondContact O-N 2.94Å; D183-L186 VanDerWaalsContact O-N 3.11Å; D183-L187 HydrophobicContact CB-CD1 4.04Å; D183-L187 HydrophobicContact CB-CG 4.49Å; D183-L187 WeakPolarHBondContact O-CB 3.47Å; D183-L187 WeakPolarHBondContact O-CG 3.3Å; D183-L187 PolarHBondContact O-N 3.25Å; D183-Y215 WeakPolarHBondContact OD1-CE2 3.44Å; D183-Y215 PolarHBondContact OD1-OH 2.87Å
184C98.4Very high98.4Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-58.1-29.9174.3-610000112.5R35 M38 I39 L42 T180 P188R35-C184 VanDerWaalsContact CB-O 3.31Å; R35-C184 WeakPolarHBondContact CB-O 3.41Å; R35-C184 HydrophobicContact CG-CB 4.14Å; R35-C184 WeakPolarHBondContact CG-O 3.32Å; M38-C184 HydrophobicContact CB-CB 4.28Å; I39-C184 HydrophobicContact CD1-CB 4.4Å; I39-C184 HydrophobicContact CG1-CB 3.96Å; L42-C184 VanDerWaalsContact CD1-SG 3.52Å; T180-C184 PolarHBondContact O-N 3.17Å; T180-C184 PolarHBondContact O-SG 2.86Å; C184-P188 WeakPolarHBondContact O-CD 3.18Å; C184-P188 WeakPolarHBondContact O-CG 3.39Å
185S97.8Very high98.4Very high16 Ų1620 Ų2011%0.11210%0.103CC..Hα-helixtrans-79.1-36.8176.5-178.30000113.5R35 L181 A182 D183 K189R35-S185 PolarHBondContact NH1-OG 3.25Å; L181-S185 WeakPolarHBondContact O-CB 3.24Å; L181-S185 PolarHBondContact O-N 3.12Å; A182-S185 WeakPolarHBondContact O-CB 3.35Å; A182-S185 PolarHBondContact O-N 2.91Å; D183-S185 PolarHBondContact O-N 3Å; S185-K189 VanDerWaalsContact O-CD 3.24Å; S185-K189 WeakPolarHBondContact O-CD 3.36Å; S185-K189 WeakPolarHBondContact O-CE 3.24Å; S185-K189 PolarHBondContact O-NZ 3.48Å; S185-K189 VanDerWaalsContact O-NZ 3.08Å; S185-K189 PolarHBondContact OG-NZ 2.94Å; S185-K189 VanDerWaalsContact OG-NZ 3.14Å
186L98.5Very high98.4Very high5 Ų519.6 Ų19.63%0.02610%0.101CC..Hα-helixtrans-92.7-41.9-171.4-176.657.6000113L116 L146 L174 A182 D183 K189 L190 Y215L116-L186 HydrophobicContact CD2-CD1 4.19Å; L146-L186 HydrophobicContact CD1-CD2 3.81Å; L146-L186 HydrophobicContact CD2-CD2 4.03Å; L174-L186 HydrophobicContact CD1-CB 4.18Å; L174-L186 HydrophobicContact CD1-CD2 3.87Å; L174-L186 HydrophobicContact CD2-CD2 4.06Å; L174-L186 HydrophobicContact CG-CD2 4.47Å; A182-L186 PolarHBondContact O-N 3.25Å; D183-L186 PolarHBondContact O-N 2.94Å; D183-L186 VanDerWaalsContact O-N 3.11Å; L186-K189 WeakPolarHBondContact O-CB 3.31Å; L186-K189 PolarHBondContact O-N 3.29Å; L186-K189 VanDerWaalsContact O-N 3.1Å; L186-L190 HydrophobicContact CD1-CD1 4.31Å; L186-L190 HydrophobicContact CD1-CG 4.08Å; L186-L190 HydrophobicContact CD2-CD1 4.1Å; L186-L190 HydrophobicContact CG-CD1 3.74Å; L186-L190 HydrophobicContact CG-CG 4.02Å; L186-L190 PolarHBondContact O-N 2.95Å; L186-Y215 HydrophobicContact CD2-CE1 4.26Å
187L98.8Very high98.4Very high0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-59.4-46-173.7-71.8173000113.8M38 L179 D183 K189 L190 N191 Y215 A219 F225M38-L187 HydrophobicContact CE-CB 4.45Å; M38-L187 HydrophobicContact CE-CD1 3.92Å; L179-L187 HydrophobicContact CD2-CD1 3.9Å; D183-L187 HydrophobicContact CB-CD1 4.04Å; D183-L187 HydrophobicContact CB-CG 4.49Å; D183-L187 WeakPolarHBondContact O-CB 3.47Å; D183-L187 WeakPolarHBondContact O-CG 3.3Å; D183-L187 PolarHBondContact O-N 3.25Å; L187-K189 PolarHBondContact O-N 2.81Å; L187-L190 HydrophobicContact CD2-CD1 4.48Å; L187-L190 PolarHBondContact O-N 3.36Å; L187-L190 VanDerWaalsContact O-N 3.17Å; L187-N191 PolarHBondContact O-N 3.03Å; L187-Y215 HydrophobicContact CD2-CD1 4.35Å; L187-Y215 HydrophobicContact CD2-CE1 3.52Å; L187-Y215 HydrophobicContact CD2-CE2 4.25Å; L187-Y215 VanDerWaalsContact CD2-CZ 3.46Å; L187-Y215 WeakPolarHBondContact CD2-OH 3.38Å; L187-Y215 HydrophobicContact CG-CE1 4.32Å; L187-Y215 VanDerWaalsContact CG-OH 3.25Å; L187-Y215 WeakPolarHBondContact CG-OH 3.28Å; L187-A219 HydrophobicContact CD1-CB 3.87Å; L187-A219 HydrophobicContact CD2-CB 3.41Å; L187-A219 VanDerWaalsContact CD2-CB 3.41Å; L187-A219 HydrophobicContact CG-CB 4.3Å; L187-F225 HydrophobicContact CB-CD2 3.69Å; L187-F225 HydrophobicContact CB-CE2 3.54Å; L187-F225 HydrophobicContact CB-CG 4.38Å; L187-F225 HydrophobicContact CB-CZ 4.07Å; L187-F225 HydrophobicContact CD1-CB 4.48Å; L187-F225 HydrophobicContact CD1-CD2 4.31Å; L187-F225 HydrophobicContact CD1-CG 4.26Å
188P98.6Very high98.4Very high0 Ų018.7 Ų18.70%09%0.089CC..Hα-helixtrans-58-37.8175.1-27.737.5000112.8P31 Q34 M38 C184 I192P31-P188 HydrophobicContact CB-CB 3.87Å; Q34-P188 HydrophobicContact CB-CB 4.03Å; Q34-P188 HydrophobicContact CB-CG 4Å; Q34-P188 HydrophobicContact CG-CB 4.13Å; Q34-P188 HydrophobicContact CG-CG 3.79Å; M38-P188 HydrophobicContact SD-CG 3.93Å; C184-P188 WeakPolarHBondContact O-CD 3.18Å; C184-P188 WeakPolarHBondContact O-CG 3.39Å; P188-I192 WeakPolarHBondContact O-CG1 3.32Å; P188-I192 PolarHBondContact O-N 3.14Å
189K98.4Very high98.3Very high29 Ų2917.5 Ų17.513%0.1268%0.081CC..Hα-helixtrans-70.2-41.4178.7-64.8169.5-171152.30111.1P31 F117 S185 L186 L187 I192 I193P31-K189 HydrophobicContact CB-CG 4.25Å; F117-K189 HydrophobicContact CB-CB 4.22Å; F117-K189 HydrophobicContact CB-CD 3.88Å; F117-K189 HydrophobicContact CB-CG 4.2Å; F117-K189 HydrophobicContact CD2-CB 3.64Å; F117-K189 HydrophobicContact CD2-CD 4.49Å; F117-K189 HydrophobicContact CD2-CG 3.88Å; F117-K189 HydrophobicContact CE2-CB 4.28Å; F117-K189 HydrophobicContact CE2-CG 4.38Å; F117-K189 HydrophobicContact CG-CB 4.13Å; F117-K189 HydrophobicContact CG-CD 4.15Å; F117-K189 HydrophobicContact CG-CG 3.99Å; S185-K189 VanDerWaalsContact O-CD 3.24Å; S185-K189 WeakPolarHBondContact O-CD 3.36Å; S185-K189 WeakPolarHBondContact O-CE 3.24Å; S185-K189 PolarHBondContact O-NZ 3.48Å; S185-K189 VanDerWaalsContact O-NZ 3.08Å; S185-K189 PolarHBondContact OG-NZ 2.94Å; S185-K189 VanDerWaalsContact OG-NZ 3.14Å; L186-K189 WeakPolarHBondContact O-CB 3.31Å; L186-K189 PolarHBondContact O-N 3.29Å; L186-K189 VanDerWaalsContact O-N 3.1Å; L187-K189 PolarHBondContact O-N 2.81Å; K189-I192 PolarHBondContact O-N 3.26Å; K189-I193 WeakPolarHBondContact O-CD1 3.41Å; K189-I193 WeakPolarHBondContact O-CG1 3.24Å; K189-I193 PolarHBondContact O-N 3.21Å
190L98.5Very high98.2Very high0 Ų020 Ų200%09%0.091CC..Hα-helixtrans-62.5-41.4175.7-77.7173.1000112L116 F143 L146 L186 L187 I192 I193 K194 Y215 L216L116-L190 HydrophobicContact CD2-CD2 3.38Å; L116-L190 HydrophobicContact CD2-CG 4.28Å; F143-L190 HydrophobicContact CE1-CD2 3.79Å; F143-L190 HydrophobicContact CZ-CD2 4.32Å; L146-L190 HydrophobicContact CD2-CD1 4.4Å; L146-L190 HydrophobicContact CD2-CD2 4.37Å; L186-L190 HydrophobicContact CD1-CD1 4.31Å; L186-L190 HydrophobicContact CD1-CG 4.08Å; L186-L190 HydrophobicContact CD2-CD1 4.1Å; L186-L190 HydrophobicContact CG-CD1 3.74Å; L186-L190 HydrophobicContact CG-CG 4.02Å; L186-L190 PolarHBondContact O-N 2.95Å; L187-L190 HydrophobicContact CD2-CD1 4.48Å; L187-L190 PolarHBondContact O-N 3.36Å; L187-L190 VanDerWaalsContact O-N 3.17Å; L190-I192 VanDerWaalsContact C-N 3.34Å; L190-I192 PolarHBondContact O-N 3.08Å; L190-I193 PolarHBondContact O-N 3.05Å; L190-K194 WeakPolarHBondContact O-CB 3.36Å; L190-K194 PolarHBondContact O-N 2.62Å; L190-Y215 HydrophobicContact CD1-CD1 4.08Å; L190-Y215 HydrophobicContact CD1-CE1 3.66Å; L190-L216 HydrophobicContact CB-CD2 4.2Å; L190-L216 HydrophobicContact CD1-CD2 4.11Å
191N98.5Very high98.1Very high4 Ų421.1 Ų21.12%0.0219%0.093CC..Hα-helixtrans-58.1-48.3175.3-166.947.4000111.2L187 I193 K194 V195 Y220 F225 I235L187-N191 PolarHBondContact O-N 3.03Å; N191-I193 VanDerWaalsContact C-N 3.35Å; N191-I193 PolarHBondContact O-N 2.81Å; N191-K194 PolarHBondContact O-N 2.69Å; N191-V195 WeakPolarHBondContact O-CG2 3.45Å; N191-V195 PolarHBondContact O-N 3.26Å; N191-Y220 PolarHBondContact OD1-OH 3.32Å; N191-F225 HydrophobicContact CB-CE2 4.37Å; N191-F225 HydrophobicContact CB-CZ 3.99Å; N191-I235 WeakPolarHBondContact ND2-CD1 3.46Å
192I98.5Very high98Very high2 Ų226.4 Ų26.41%0.0112%0.122CC..Hα-helixtrans-59.2-45.9177-68.3167.3000111.5N29 P31 F117 F120 P188 K189 L190 V195 A196 I235 Y239N29-I192 VanDerWaalsContact OD1-CD1 3.23Å; N29-I192 WeakPolarHBondContact OD1-CD1 3.33Å; N29-I192 WeakPolarHBondContact OD1-CG1 3.1Å; P31-I192 HydrophobicContact CB-CD1 3.69Å; P31-I192 HydrophobicContact CG-CD1 3.7Å; F117-I192 HydrophobicContact CE2-CB 4.12Å; F117-I192 HydrophobicContact CE2-CD1 4.24Å; F117-I192 HydrophobicContact CE2-CG2 3.81Å; F117-I192 HydrophobicContact CZ-CD1 4.37Å; F117-I192 HydrophobicContact CZ-CG2 4.33Å; F120-I192 HydrophobicContact CE1-CG2 3.94Å; F120-I192 HydrophobicContact CZ-CG2 4.43Å; P188-I192 WeakPolarHBondContact O-CG1 3.32Å; P188-I192 PolarHBondContact O-N 3.14Å; K189-I192 PolarHBondContact O-N 3.26Å; L190-I192 VanDerWaalsContact C-N 3.34Å; L190-I192 PolarHBondContact O-N 3.08Å; I192-V195 PolarHBondContact O-N 2.93Å; I192-A196 VanDerWaalsContact O-CB 3.3Å; I192-A196 WeakPolarHBondContact O-CB 3.33Å; I192-A196 PolarHBondContact O-N 3.2Å; I192-I235 HydrophobicContact CB-CG2 4.35Å; I192-I235 HydrophobicContact CG1-CD1 4.27Å; I192-I235 HydrophobicContact CG1-CG1 4.39Å; I192-I235 HydrophobicContact CG1-CG2 4.31Å; I192-I235 HydrophobicContact CG2-CG2 4.09Å; I192-Y239 HydrophobicContact CG2-CE2 3.52Å; I192-Y239 WeakPolarHBondContact CG2-OH 3.48Å
193I98.3Very high97.9Very high0 Ų026.8 Ų26.80%012%0.123CC..Hα-helixtrans-58.4-50.7178.2-66.6162.1000109.8L116 F117 F120 F143 K189 L190 N191 V195 A197L116-I193 HydrophobicContact CD2-CD1 3.77Å; L116-I193 HydrophobicContact CG-CD1 3.78Å; F117-I193 HydrophobicContact CD2-CD1 4.36Å; F117-I193 HydrophobicContact CD2-CG1 4.27Å; F120-I193 HydrophobicContact CB-CD1 4.11Å; F120-I193 HydrophobicContact CB-CG1 3.74Å; F120-I193 HydrophobicContact CD1-CG1 3.69Å; F120-I193 HydrophobicContact CD2-CB 4.25Å; F120-I193 HydrophobicContact CD2-CG1 3.94Å; F120-I193 HydrophobicContact CD2-CG2 3.96Å; F120-I193 HydrophobicContact CE1-CG1 4.29Å; F120-I193 HydrophobicContact CE2-CG2 4.48Å; F120-I193 HydrophobicContact CG-CB 4.31Å; F120-I193 HydrophobicContact CG-CD1 4.39Å; F120-I193 HydrophobicContact CG-CG1 3.5Å; F120-I193 VanDerWaalsContact CG-CG1 3.5Å; F120-I193 HydrophobicContact CG-CG2 4.32Å; F143-I193 HydrophobicContact CE2-CG2 4.11Å; F143-I193 HydrophobicContact CZ-CG2 3.82Å; K189-I193 WeakPolarHBondContact O-CD1 3.41Å; K189-I193 WeakPolarHBondContact O-CG1 3.24Å; K189-I193 PolarHBondContact O-N 3.21Å; L190-I193 PolarHBondContact O-N 3.05Å; N191-I193 VanDerWaalsContact C-N 3.35Å; N191-I193 PolarHBondContact O-N 2.81Å; I193-V195 PolarHBondContact O-N 3.44Å; I193-A197 WeakPolarHBondContact O-CA 3.39Å; I193-A197 WeakPolarHBondContact O-CB 3.4Å; I193-A197 PolarHBondContact O-N 3Å
194K98.3Very high97.9Very high79 Ų7931.2 Ų31.234%0.34315%0.147SC..Hα-helixtrans-57.3-48.9-178.7178175.9167.3-74.20111.9L190 N191 K198 Y220L190-K194 WeakPolarHBondContact O-CB 3.36Å; L190-K194 PolarHBondContact O-N 2.62Å; N191-K194 PolarHBondContact O-N 2.69Å; K194-K198 WeakPolarHBondContact O-CB 3.34Å; K194-K198 PolarHBondContact O-N 3.05Å; K194-Y220 HydrophobicContact CD-CE2 4.41Å
195V98.5Very high97.9Very high9 Ų931.6 Ų31.66%0.05515%0.149CC..Hα-helixtrans-71.5-53.9-176.7175.60000111.5N191 I192 I193 K199 D232 I235 E236N191-V195 WeakPolarHBondContact O-CG2 3.45Å; N191-V195 PolarHBondContact O-N 3.26Å; I192-V195 PolarHBondContact O-N 2.93Å; I193-V195 PolarHBondContact O-N 3.44Å; V195-K199 WeakPolarHBondContact O-CB 3.47Å; V195-K199 PolarHBondContact O-N 3.49Å; V195-D232 HydrophobicContact CG1-CB 3.95Å; V195-D232 HydrophobicContact CG2-CB 4.46Å; V195-D232 VanDerWaalsContact CG2-OD1 3.28Å; V195-D232 WeakPolarHBondContact CG2-OD1 3.36Å; V195-I235 HydrophobicContact CB-CB 4.4Å; V195-I235 HydrophobicContact CB-CD1 4.21Å; V195-I235 HydrophobicContact CB-CG2 4.05Å; V195-I235 HydrophobicContact CG1-CB 4Å; V195-I235 HydrophobicContact CG1-CD1 4.46Å; V195-I235 HydrophobicContact CG1-CG2 4Å; V195-I235 HydrophobicContact CG2-CD1 4.09Å; V195-E236 HydrophobicContact CG1-CG 4.01Å
196A98.2Very high97.9Very high0 Ų032.3 Ų32.30%015%0.153CC..Hα-helixtrans-73.4-37.4-173.300000113F120 I192 K199 Y200 I235 Y239F120-A196 HydrophobicContact CE2-CB 4.46Å; F120-A196 HydrophobicContact CZ-CB 3.79Å; I192-A196 VanDerWaalsContact O-CB 3.3Å; I192-A196 WeakPolarHBondContact O-CB 3.33Å; I192-A196 PolarHBondContact O-N 3.2Å; A196-K199 PolarHBondContact O-N 2.99Å; A196-Y200 HydrophobicContact CB-CD2 4.45Å; A196-Y200 WeakPolarHBondContact O-CD2 3.47Å; A196-Y200 PolarHBondContact O-N 3.43Å; A196-I235 HydrophobicContact CB-CG2 4.13Å; A196-Y239 HydrophobicContact CB-CD2 3.75Å; A196-Y239 HydrophobicContact CB-CE2 4.23Å; A196-Y239 HydrophobicContact CB-CG 4Å
197A97.5Very high97.9Very high0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-66.8-40.2177.100000111.1F120 I193 R201 D202 F203F120-A197 HydrophobicContact CD2-CB 4.37Å; F120-A197 HydrophobicContact CE2-CB 3.91Å; I193-A197 WeakPolarHBondContact O-CA 3.39Å; I193-A197 WeakPolarHBondContact O-CB 3.4Å; I193-A197 PolarHBondContact O-N 3Å; A197-R201 CarbonylContact O-C 3.58Å; A197-R201 WeakPolarHBondContact O-CA 3.46Å; A197-R201 WeakPolarHBondContact O-CB 3.26Å; A197-R201 PolarHBondContact O-N 3.34Å; A197-D202 PolarHBondContact O-N 3.06Å; A197-F203 HydrophobicContact CB-CB 3.99Å; A197-F203 HydrophobicContact CB-CD1 3.7Å; A197-F203 HydrophobicContact CB-CG 4.23Å; A197-F203 PolarHBondContact O-N 2.82Å
198K97.8Very high97.8Very high84 Ų8443.6 Ų43.637%0.36522%0.221SC..Hα-helixtrans-61.7-50.5173.9-176.652.7167.4178.20111.2K194 Y200 D202 F203 D204K194-K198 WeakPolarHBondContact O-CB 3.34Å; K194-K198 PolarHBondContact O-N 3.05Å; K198-Y200 PolarHBondContact O-N 3.41Å; K198-D202 IonicContact NZ-OD1 3.52Å; K198-D202 PolarHBondContact NZ-OD1 3.28Å; K198-D202 WeakPolarHBondContact O-CA 3.39Å; K198-D202 PolarHBondContact O-N 2.96Å; K198-D202 VanDerWaalsContact O-N 3.14Å; K198-F203 WeakPolarHBondContact CA-O 3.41Å; K198-F203 PolarHBondContact N-O 3.28Å; K198-D204 WeakPolarHBondContact CD-OD1 3.48Å; K198-D204 WeakPolarHBondContact CE-OD1 3.39Å; K198-D204 IonicContact NZ-OD1 2.75Å; K198-D204 IonicContact NZ-OD2 2.76Å; K198-D204 PolarHBondContact NZ-OD2 3.08Å
199K97.8Very high97.8Very high110 Ų11044 Ų4448%0.47822%0.223SC..Hα-helixtrans-59.7-44.8-177.2-17856.7164-119.20113.7V195 A196 E236V195-K199 WeakPolarHBondContact O-CB 3.47Å; V195-K199 PolarHBondContact O-N 3.49Å; A196-K199 PolarHBondContact O-N 2.99Å; K199-E236 HydrophobicContact CB-CG 4.22Å; K199-E236 WeakPolarHBondContact CD-OE1 3.49Å; K199-E236 HydrophobicContact CG-CG 3.93Å; K199-E236 IonicContact NZ-OE1 2.75Å; K199-E236 PolarHBondContact NZ-OE1 2.76Å; K199-E236 IonicContact NZ-OE2 2.62Å; K199-E236 PolarHBondContact NZ-OE2 3.21Å
200Y96.4Very high97.8Very high60 Ų6045.9 Ų45.924%0.23524%0.24CC..Hα-helixtrans-108.9-11.3-166.7-64.9-66.8000115I124 A196 K198 E236 A240 A243I124-Y200 HydrophobicContact CD1-CD2 4.45Å; A196-Y200 HydrophobicContact CB-CD2 4.45Å; A196-Y200 WeakPolarHBondContact O-CD2 3.47Å; A196-Y200 PolarHBondContact O-N 3.43Å; K198-Y200 PolarHBondContact O-N 3.41Å; Y200-E236 WeakPolarHBondContact CE2-O 3.15Å; Y200-E236 PolarHBondContact OH-O 3.35Å; Y200-A240 WeakPolarHBondContact OH-CA 3.26Å; Y200-A240 WeakPolarHBondContact OH-CB 3.49Å; Y200-A240 PolarHBondContact OH-N 3.33Å; Y200-A243 HydrophobicContact CD1-CB 3.76Å; Y200-A243 HydrophobicContact CD2-CB 3.99Å; Y200-A243 HydrophobicContact CE1-CB 4.41Å; Y200-A243 HydrophobicContact CG-CB 3.52Å
201R95.4Very high97.8Very high35 Ų3545.9 Ų45.913%0.13224%0.24CC..Hα-helixtrans-132.2-0.2-178.6-60.8-69.8179.4-94.47.2113.2Y123 I124 N126 A197 F203 A243 Q245Y123-R201 HydrophobicContact CD1-CG 4.35Å; Y123-R201 HydrophobicContact CE1-CB 3.76Å; Y123-R201 HydrophobicContact CE1-CG 3.66Å; Y123-R201 WeakPolarHBondContact OH-CB 3.29Å; I124-R201 HydrophobicContact CD1-CG 3.91Å; I124-R201 PolarHBondContact O-NH2 3.01Å; N126-R201 PolarHBondContact O-NH2 3.09Å; A197-R201 CarbonylContact O-C 3.58Å; A197-R201 WeakPolarHBondContact O-CA 3.46Å; A197-R201 WeakPolarHBondContact O-CB 3.26Å; A197-R201 PolarHBondContact O-N 3.34Å; R201-F203 HydrophobicContact CB-CB 4.25Å; R201-F203 PolarHBondContact O-N 3.42Å; R201-F203 VanDerWaalsContact O-N 3.15Å; R201-A243 PolarHBondContact NH1-O 3.13Å; R201-A243 PolarHBondContact NH2-O 3.15Å; R201-Q245 VanDerWaalsContact CZ-NE2 3.29Å
202D96.6Very high97.8Very high120 Ų12045.7 Ų45.764%0.64224%0.239SC*.  trans49.833.1-171.9-161.930.4000112.5A197 K198A197-D202 PolarHBondContact O-N 3.06Å; K198-D202 IonicContact NZ-OD1 3.52Å; K198-D202 PolarHBondContact NZ-OD1 3.28Å; K198-D202 WeakPolarHBondContact O-CA 3.39Å; K198-D202 PolarHBondContact O-N 2.96Å; K198-D202 VanDerWaalsContact O-N 3.14Å
203F97.4Very high97.9Very high10 Ų1048.9 Ų48.94%0.04425%0.251CS..  trans-91.1125.4179.6173.2-88000109.3Y123 E136 L139 L140 F143 A197 K198 R201 I205Y123-F203 HydrophobicContact CE1-CB 4.19Å; Y123-F203 HydrophobicContact CE1-CG 4.34Å; E136-F203 HydrophobicContact CG-CD2 3.98Å; E136-F203 HydrophobicContact CG-CE2 4.02Å; L139-F203 HydrophobicContact CD2-CE1 4.11Å; L139-F203 HydrophobicContact CD2-CZ 4.11Å; L139-F203 HydrophobicContact CG-CZ 4.48Å; L140-F203 HydrophobicContact CD2-CE2 3.84Å; L140-F203 HydrophobicContact CD2-CZ 3.97Å; L140-F203 HydrophobicContact CG-CE2 4.21Å; F143-F203 HydrophobicContact CD2-CZ 4.27Å; F143-F203 AromaticContact CE2-CE1 3.96Å; F143-F203 HydrophobicContact CE2-CE1 3.96Å; F143-F203 HydrophobicContact CE2-CZ 4.08Å; A197-F203 HydrophobicContact CB-CB 3.99Å; A197-F203 HydrophobicContact CB-CD1 3.7Å; A197-F203 HydrophobicContact CB-CG 4.23Å; A197-F203 PolarHBondContact O-N 2.82Å; K198-F203 WeakPolarHBondContact CA-O 3.41Å; K198-F203 PolarHBondContact N-O 3.28Å; R201-F203 HydrophobicContact CB-CB 4.25Å; R201-F203 PolarHBondContact O-N 3.42Å; R201-F203 VanDerWaalsContact O-N 3.15Å; F203-I205 HydrophobicContact CE1-CG1 4.41Å
204D97.6Very high97.9Very high92 Ų9251.4 Ų51.449%0.49226%0.26SS..  trans-108147.4167.7-68-68.4000109.5K198 P206K198-D204 WeakPolarHBondContact CD-OD1 3.48Å; K198-D204 WeakPolarHBondContact CE-OD1 3.39Å; K198-D204 IonicContact NZ-OD1 2.75Å; K198-D204 IonicContact NZ-OD2 2.76Å; K198-D204 PolarHBondContact NZ-OD2 3.08Å; D204-P206 VanDerWaalsContact O-CD 3.27Å; D204-P206 WeakPolarHBondContact O-CD 3.48Å
205I98.1Very high97.9Very high9 Ų947.7 Ų47.75%0.04624%0.244CC..  trans-64.1121169.5-59.2173.6000107.1F143 F203 A207 F209 V212 W213 L216F143-I205 HydrophobicContact CD1-CG2 4.22Å; F143-I205 HydrophobicContact CE1-CD1 3.73Å; F143-I205 HydrophobicContact CE1-CG1 3.94Å; F143-I205 HydrophobicContact CE1-CG2 4.19Å; F143-I205 HydrophobicContact CE2-CG1 4.32Å; F143-I205 HydrophobicContact CZ-CD1 3.8Å; F143-I205 HydrophobicContact CZ-CG1 3.72Å; F203-I205 HydrophobicContact CE1-CG1 4.41Å; I205-A207 PolarHBondContact O-N 3Å; I205-F209 HydrophobicContact CG2-CD2 4.13Å; I205-V212 HydrophobicContact CG2-CG1 4.08Å; I205-W213 HydrophobicContact CB-CZ2 4.02Å; I205-W213 VanDerWaalsContact O-CZ2 3.32Å; I205-W213 WeakPolarHBondContact O-CZ2 3.49Å; I205-W213 PolarHBondContact O-NE1 3.18Å; I205-L216 HydrophobicContact CD1-CD1 3.73Å
206P98.4Very high97.9Very high31 Ų3147.3 Ų47.320%0.20124%0.241CC..  trans-53.4135.7-177.4-30.136.1000112.9L140 D204 E208 F209 W213L140-P206 HydrophobicContact CD2-CG 3.48Å; L140-P206 VanDerWaalsContact CD2-CG 3.48Å; D204-P206 VanDerWaalsContact O-CD 3.27Å; D204-P206 WeakPolarHBondContact O-CD 3.48Å; P206-E208 HydrophobicContact CB-CG 3.74Å; P206-E208 PolarHBondContact O-N 3.39Å; P206-F209 HydrophobicContact CB-CD2 3.99Å; P206-F209 HydrophobicContact CB-CE2 3.97Å; P206-F209 HydrophobicContact CB-CG 4.49Å; P206-F209 HydrophobicContact CB-CZ 4.43Å; P206-F209 HydrophobicContact CG-CD2 4.01Å; P206-F209 HydrophobicContact CG-CE2 3.6Å; P206-F209 HydrophobicContact CG-CZ 4.21Å; P206-F209 PolarHBondContact O-N 2.84Å; P206-F209 VanDerWaalsContact O-N 3.1Å; P206-W213 PolarHBondContact O-NE1 3.34Å
207A97.9Very high97.9Very high90 Ų9053 Ų5374%0.74427%0.268SS*.THydrogen-bonded Turntrans-63.3-22.1-179.500000113I205 F209I205-A207 PolarHBondContact O-N 3Å; A207-F209 PolarHBondContact O-N 3.23Å
208E97.9Very high98Very high151 Ų15155 Ų5571%0.70628%0.279SS*.THydrogen-bonded Turntrans-65.8-21.9174.963.4-169.1-12000113.6P206 S210P206-E208 HydrophobicContact CB-CG 3.74Å; P206-E208 PolarHBondContact O-N 3.39Å; E208-S210 PolarHBondContact O-N 2.69Å
209F98.6Very high98Very high10 Ų1051 Ų514%0.04426%0.261CS..  trans-78.667.4173.8-58.6-29.8000110.8L140 F143 K144 D147 I205 P206 A207 G211 V212 W213L140-F209 HydrophobicContact CD2-CE2 3.88Å; L140-F209 HydrophobicContact CD2-CZ 4.25Å; F143-F209 HydrophobicContact CB-CD2 3.75Å; F143-F209 HydrophobicContact CB-CE2 3.5Å; F143-F209 HydrophobicContact CB-CZ 4.31Å; F143-F209 HydrophobicContact CG-CD2 4.43Å; F143-F209 HydrophobicContact CG-CE2 4.39Å; K144-F209 HydrophobicContact CB-CE1 4.14Å; K144-F209 HydrophobicContact CB-CZ 4.31Å; K144-F209 HydrophobicContact CD-CD1 4.33Å; K144-F209 HydrophobicContact CD-CE1 3.86Å; D147-F209 HydrophobicContact CB-CB 4.09Å; D147-F209 HydrophobicContact CB-CD1 4.19Å; D147-F209 HydrophobicContact CB-CG 4.31Å; D147-F209 VanDerWaalsContact CG-CA 3.49Å; D147-F209 WeakPolarHBondContact OD1-CA 3.48Å; D147-F209 WeakPolarHBondContact OD1-CB 3.45Å; I205-F209 HydrophobicContact CG2-CD2 4.13Å; P206-F209 HydrophobicContact CB-CD2 3.99Å; P206-F209 HydrophobicContact CB-CE2 3.97Å; P206-F209 HydrophobicContact CB-CG 4.49Å; P206-F209 HydrophobicContact CB-CZ 4.43Å; P206-F209 HydrophobicContact CG-CD2 4.01Å; P206-F209 HydrophobicContact CG-CE2 3.6Å; P206-F209 HydrophobicContact CG-CZ 4.21Å; P206-F209 PolarHBondContact O-N 2.84Å; P206-F209 VanDerWaalsContact O-N 3.1Å; A207-F209 PolarHBondContact O-N 3.23Å; F209-G211 VanDerWaalsContact C-N 3.3Å; F209-G211 PolarHBondContact O-N 2.75Å; F209-V212 HydrophobicContact CB-CB 4.1Å; F209-V212 HydrophobicContact CB-CG2 4.21Å; F209-V212 PolarHBondContact O-N 2.76Å; F209-W213 VanDerWaalsContact O-CD1 3.29Å; F209-W213 PolarHBondContact O-N 2.74Å
210S98.3Very high98.1Very high68 Ų6849.4 Ų49.448%0.47625%0.253SS..Hα-helixtrans-61.6-32.4-17460.70000114.1D147 E208 R214D147-S210 PolarHBondContact OD1-N 3.34Å; E208-S210 PolarHBondContact O-N 2.69Å; S210-R214 VanDerWaalsContact O-CB 3.3Å; S210-R214 WeakPolarHBondContact O-CB 3.46Å; S210-R214 PolarHBondContact O-N 2.74Å
211G98.6Very high98.2Very high0 Ų050.5 Ų50.50%028%0.275CS..Hα-helixtrans-69.6-4517600000111.1D147 N151 F209 R214 Y215D147-G211 VanDerWaalsContact OD1-CA 3.24Å; D147-G211 WeakPolarHBondContact OD1-CA 3.21Å; D147-G211 PolarHBondContact OD1-N 2.9Å; N151-G211 PolarHBondContact ND2-N 2.69Å; N151-G211 VanDerWaalsContact OD1-CA 3.32Å; N151-G211 WeakPolarHBondContact OD1-CA 3.5Å; F209-G211 VanDerWaalsContact C-N 3.3Å; F209-G211 PolarHBondContact O-N 2.75Å; G211-R214 PolarHBondContact O-N 2.7Å; G211-Y215 WeakPolarHBondContact O-CB 3.24Å; G211-Y215 PolarHBondContact O-N 2.88Å
212V98.7Very high98.3Very high0 Ų051.8 Ų51.80%028%0.279CS..Hα-helixtrans-61.2-45.9174.3176.60000111F143 L146 D147 L150 I205 F209 Y215 L216F143-V212 HydrophobicContact CD1-CG1 4.24Å; F143-V212 HydrophobicContact CD1-CG2 4.44Å; F143-V212 HydrophobicContact CE1-CG1 4.32Å; L146-V212 HydrophobicContact CB-CG2 4.33Å; L146-V212 HydrophobicContact CD2-CG2 4.06Å; L146-V212 HydrophobicContact CG-CG2 4Å; D147-V212 HydrophobicContact CB-CG2 3.82Å; D147-V212 PolarHBondContact OD1-N 3.34Å; L150-V212 HydrophobicContact CD1-CG2 4.17Å; I205-V212 HydrophobicContact CG2-CG1 4.08Å; F209-V212 HydrophobicContact CB-CB 4.1Å; F209-V212 HydrophobicContact CB-CG2 4.21Å; F209-V212 PolarHBondContact O-N 2.76Å; V212-Y215 PolarHBondContact O-N 3.36Å; V212-L216 HydrophobicContact CG1-CD1 4.07Å; V212-L216 HydrophobicContact CG1-CG 4.39Å; V212-L216 WeakPolarHBondContact O-CG 3.24Å; V212-L216 PolarHBondContact O-N 2.91Å
213W98.7Very high98.4Very high69 Ų6950.7 Ų50.726%0.26127%0.27SS..Hα-helixtrans-65-40.5178.2-82110.7000112.6I205 P206 F209 Y215 L216 H217I205-W213 HydrophobicContact CB-CZ2 4.02Å; I205-W213 VanDerWaalsContact O-CZ2 3.32Å; I205-W213 WeakPolarHBondContact O-CZ2 3.49Å; I205-W213 PolarHBondContact O-NE1 3.18Å; P206-W213 PolarHBondContact O-NE1 3.34Å; F209-W213 VanDerWaalsContact O-CD1 3.29Å; F209-W213 PolarHBondContact O-N 2.74Å; W213-Y215 VanDerWaalsContact C-N 3.34Å; W213-Y215 PolarHBondContact O-N 3.41Å; W213-L216 HydrophobicContact CE3-CD1 4.37Å; W213-L216 PolarHBondContact O-N 3.47Å; W213-H217 AromaticContact CE3-NE2 3.91Å; W213-H217 WeakPolarHBondContact O-CB 3.13Å; W213-H217 PolarHBondContact O-N 2.91Å; W213-H217 PolarHBondContact O-ND1 2.8Å
214R98.8Very high98.4Very high52 Ų5251.4 Ų51.420%0.19627%0.274CS..Hα-helixtrans-56.9-49.3172.2-176.8-179.173.4-113.82.7110.9L150 N151 S169 R171 S210 G211 L216 H217 N218L150-R214 PolarHBondContact O-NH2 2.75Å; N151-R214 PolarHBondContact OD1-NH1 3.37Å; S169-R214 PolarHBondContact O-NH1 3.23Å; S169-R214 PolarHBondContact O-NH2 3.4Å; R171-R214 PolarHBondContact O-NE 3.45Å; S210-R214 VanDerWaalsContact O-CB 3.3Å; S210-R214 WeakPolarHBondContact O-CB 3.46Å; S210-R214 PolarHBondContact O-N 2.74Å; G211-R214 PolarHBondContact O-N 2.7Å; R214-L216 PolarHBondContact O-N 3.29Å; R214-H217 PolarHBondContact O-N 3.26Å; R214-N218 VanDerWaalsContact O-CG 3.25Å; R214-N218 PolarHBondContact O-N 2.87Å; R214-N218 PolarHBondContact O-ND2 2.92Å
215Y98.8Very high98.5Very high1 Ų147 Ų470%0.00425%0.25CS..Hα-helixtrans-60.1-45.8178.6175.4-121.5000112.6L150 F173 L174 D183 L186 L187 L190 G211 V212 W213 N218 A219L150-Y215 HydrophobicContact CD1-CD1 4.18Å; L150-Y215 HydrophobicContact CD1-CG 4.09Å; L150-Y215 HydrophobicContact CD2-CD2 4.34Å; L150-Y215 HydrophobicContact CD2-CG 4.19Å; F173-Y215 HydrophobicContact CB-CE2 4.18Å; F173-Y215 HydrophobicContact CD1-CD2 4.2Å; F173-Y215 AromaticContact CD1-CE2 3.91Å; F173-Y215 HydrophobicContact CD1-CE2 3.91Å; L174-Y215 HydrophobicContact CG-CE2 4.22Å; D183-Y215 WeakPolarHBondContact OD1-CE2 3.44Å; D183-Y215 PolarHBondContact OD1-OH 2.87Å; L186-Y215 HydrophobicContact CD2-CE1 4.26Å; L187-Y215 HydrophobicContact CD2-CD1 4.35Å; L187-Y215 HydrophobicContact CD2-CE1 3.52Å; L187-Y215 HydrophobicContact CD2-CE2 4.25Å; L187-Y215 VanDerWaalsContact CD2-CZ 3.46Å; L187-Y215 WeakPolarHBondContact CD2-OH 3.38Å; L187-Y215 HydrophobicContact CG-CE1 4.32Å; L187-Y215 VanDerWaalsContact CG-OH 3.25Å; L187-Y215 WeakPolarHBondContact CG-OH 3.28Å; L190-Y215 HydrophobicContact CD1-CD1 4.08Å; L190-Y215 HydrophobicContact CD1-CE1 3.66Å; G211-Y215 WeakPolarHBondContact O-CB 3.24Å; G211-Y215 PolarHBondContact O-N 2.88Å; V212-Y215 PolarHBondContact O-N 3.36Å; W213-Y215 VanDerWaalsContact C-N 3.34Å; W213-Y215 PolarHBondContact O-N 3.41Å; Y215-N218 PolarHBondContact O-N 2.53Å; Y215-A219 WeakPolarHBondContact O-CB 3.23Å; Y215-A219 PolarHBondContact O-N 3.15Å
216L98.8Very high98.5Very high1 Ų148.7 Ų48.71%0.00526%0.261CS..Hα-helixtrans-63-44176.8-72.1175.3000111.9L190 I205 V212 W213 R214 N218 A219 Y220L190-L216 HydrophobicContact CB-CD2 4.2Å; L190-L216 HydrophobicContact CD1-CD2 4.11Å; I205-L216 HydrophobicContact CD1-CD1 3.73Å; V212-L216 HydrophobicContact CG1-CD1 4.07Å; V212-L216 HydrophobicContact CG1-CG 4.39Å; V212-L216 WeakPolarHBondContact O-CG 3.24Å; V212-L216 PolarHBondContact O-N 2.91Å; W213-L216 HydrophobicContact CE3-CD1 4.37Å; W213-L216 PolarHBondContact O-N 3.47Å; R214-L216 PolarHBondContact O-N 3.29Å; L216-N218 VanDerWaalsContact C-N 3.33Å; L216-N218 PolarHBondContact O-N 3.26Å; L216-A219 PolarHBondContact O-N 2.69Å; L216-Y220 HydrophobicContact CB-CD2 4.36Å; L216-Y220 HydrophobicContact CB-CE2 4.44Å; L216-Y220 HydrophobicContact CD2-CE2 4.23Å; L216-Y220 WeakPolarHBondContact O-CD2 3.26Å; L216-Y220 PolarHBondContact O-N 3.47Å
217H98.7Very high98.5Very high121 Ų12152.9 Ų52.956%0.5628%0.277SS*.Hα-helixtrans-59.6-44.7176.6-68.4152.3000111.9W213 R214 A219 A221W213-H217 AromaticContact CE3-NE2 3.91Å; W213-H217 WeakPolarHBondContact O-CB 3.13Å; W213-H217 PolarHBondContact O-N 2.91Å; W213-H217 PolarHBondContact O-ND1 2.8Å; R214-H217 PolarHBondContact O-N 3.26Å; H217-A219 VanDerWaalsContact C-N 3.35Å; H217-A219 PolarHBondContact O-N 2.87Å; H217-A221 PolarHBondContact O-N 2.96Å
218N98.8Very high98.5Very high42 Ų4248.6 Ų48.623%0.22524%0.242CC..Hα-helixtrans-63.5-41.5176.6-66.4-26.2000111.6L172 F173 R214 Y215 L216 A221 R222L172-N218 WeakPolarHBondContact CA-ND2 3.34Å; L172-N218 PolarHBondContact O-ND2 3.46Å; L172-N218 VanDerWaalsContact O-ND2 3.09Å; F173-N218 HydrophobicContact CE1-CB 3.99Å; F173-N218 HydrophobicContact CZ-CB 4.42Å; R214-N218 VanDerWaalsContact O-CG 3.25Å; R214-N218 PolarHBondContact O-N 2.87Å; R214-N218 PolarHBondContact O-ND2 2.92Å; Y215-N218 PolarHBondContact O-N 2.53Å; L216-N218 VanDerWaalsContact C-N 3.33Å; L216-N218 PolarHBondContact O-N 3.26Å; N218-A221 PolarHBondContact O-N 2.91Å; N218-R222 WeakPolarHBondContact O-CG 3.18Å
219A98.6Very high98.5Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-66.5-45.9178.600000112.4L187 Y215 L216 H217 A221 R222 F225L187-A219 HydrophobicContact CD1-CB 3.87Å; L187-A219 HydrophobicContact CD2-CB 3.41Å; L187-A219 VanDerWaalsContact CD2-CB 3.41Å; L187-A219 HydrophobicContact CG-CB 4.3Å; Y215-A219 WeakPolarHBondContact O-CB 3.23Å; Y215-A219 PolarHBondContact O-N 3.15Å; L216-A219 PolarHBondContact O-N 2.69Å; H217-A219 VanDerWaalsContact C-N 3.35Å; H217-A219 PolarHBondContact O-N 2.87Å; A219-A221 PolarHBondContact O-N 3.1Å; A219-R222 WeakPolarHBondContact O-CB 3.49Å; A219-R222 PolarHBondContact O-N 3.04Å; A219-F225 HydrophobicContact CB-CD1 3.87Å; A219-F225 HydrophobicContact CB-CE1 4.17Å; A219-F225 WeakPolarHBondContact O-CD1 3.31Å
220Y98.3Very high98.5Very high75 Ų7542.7 Ų42.729%0.29422%0.218SC..Hα-helixtrans-68.8-11.5177.6-78.1-71.5000113.5N191 K194 L216 R222 F225 T226N191-Y220 PolarHBondContact OD1-OH 3.32Å; K194-Y220 HydrophobicContact CD-CE2 4.41Å; L216-Y220 HydrophobicContact CB-CD2 4.36Å; L216-Y220 HydrophobicContact CB-CE2 4.44Å; L216-Y220 HydrophobicContact CD2-CE2 4.23Å; L216-Y220 WeakPolarHBondContact O-CD2 3.26Å; L216-Y220 PolarHBondContact O-N 3.47Å; Y220-R222 VanDerWaalsContact C-N 3.31Å; Y220-F225 HydrophobicContact CD1-CD1 4.26Å; Y220-F225 AromaticContact CD1-CE1 3.79Å; Y220-F225 HydrophobicContact CD1-CE1 3.79Å; Y220-F225 HydrophobicContact CD2-CE1 4.29Å; Y220-F225 AromaticContact CE1-CE1 3.66Å; Y220-F225 HydrophobicContact CE1-CE1 3.66Å; Y220-F225 HydrophobicContact CE1-CZ 4.28Å; Y220-F225 HydrophobicContact CE2-CE1 4.18Å; Y220-F225 HydrophobicContact CG-CE1 4.09Å; Y220-F225 AromaticContact CZ-CE1 3.86Å; Y220-T226 HydrophobicContact CD1-CG2 3.98Å; Y220-T226 WeakPolarHBondContact O-CG2 3.39Å
221A98.4Very high98.4Very high84 Ų8446.4 Ų46.469%0.69423%0.228SC*.THydrogen-bonded Turntrans-84.3-3.6169.600000113.3H217 N218 A219H217-A221 PolarHBondContact O-N 2.96Å; N218-A221 PolarHBondContact O-N 2.91Å; A219-A221 PolarHBondContact O-N 3.1Å
222R98.4Very high98.4Very high62 Ų6250.2 Ų50.223%0.23425%0.248CC..  trans-107.2122.9-177.6-67-64.5-65.1-96.14.7111.5F173 L179 N218 A219 Y220 E224 F225 T226F173-R222 HydrophobicContact CE1-CG 4.42Å; F173-R222 HydrophobicContact CZ-CG 3.88Å; L179-R222 HydrophobicContact CD1-CB 4.37Å; L179-R222 HydrophobicContact CD1-CG 4.38Å; N218-R222 WeakPolarHBondContact O-CG 3.18Å; A219-R222 WeakPolarHBondContact O-CB 3.49Å; A219-R222 PolarHBondContact O-N 3.04Å; Y220-R222 VanDerWaalsContact C-N 3.31Å; R222-E224 WeakPolarHBondContact CB-OE2 3.46Å; R222-E224 IonicContact CZ-OE1 3.34Å; R222-E224 IonicContact CZ-OE2 3.67Å; R222-E224 IonicContact NE-OE1 3.68Å; R222-E224 IonicContact NE-OE2 3.96Å; R222-E224 PolarHBondContact NE-OE2 3.26Å; R222-E224 IonicContact NH2-OE1 2.69Å; R222-E224 PolarHBondContact NH2-OE1 3.28Å; R222-E224 IonicContact NH2-OE2 2.69Å; R222-E224 PolarHBondContact O-N 3.09Å; R222-F225 PolarHBondContact O-N 3.34Å; R222-F225 VanDerWaalsContact O-N 3.12Å; R222-T226 PolarHBondContact O-N 2.92Å; R222-T226 PolarHBondContact O-OG1 2.62Å
223E98.4Very high98.4Very high97 Ų9756.6 Ų56.645%0.45328%0.276SS..Hα-helixtrans-60.8-33.3179.559.9171.5-16400112.5W41 F225 T226 H227W41-E223 HydrophobicContact CZ2-CG 4.24Å; E223-F225 PolarHBondContact O-N 2.77Å; E223-F225 VanDerWaalsContact O-N 3.15Å; E223-T226 WeakPolarHBondContact CA-OG1 3.46Å; E223-T226 PolarHBondContact O-N 2.79Å; E223-H227 WeakPolarHBondContact O-CB 3.4Å; E223-H227 PolarHBondContact O-N 3.34Å
224E98.4Very high98.3Very high25 Ų2554.3 Ų54.312%0.11727%0.268CS..Hα-helixtrans-61-29.4-179.8-55.196143.100111.2M38 W41 L42 R222 T228M38-E224 WeakPolarHBondContact CG-O 3.48Å; W41-E224 HydrophobicContact CD2-CG 4.46Å; W41-E224 HydrophobicContact CG-CB 4.3Å; W41-E224 HydrophobicContact CG-CG 3.96Å; L42-E224 HydrophobicContact CD2-CB 4.18Å; L42-E224 HydrophobicContact CD2-CG 3.91Å; L42-E224 HydrophobicContact CG-CB 4.43Å; L42-E224 HydrophobicContact CG-CG 4.46Å; R222-E224 WeakPolarHBondContact CB-OE2 3.46Å; R222-E224 IonicContact CZ-OE1 3.34Å; R222-E224 IonicContact CZ-OE2 3.67Å; R222-E224 IonicContact NE-OE1 3.68Å; R222-E224 IonicContact NE-OE2 3.96Å; R222-E224 PolarHBondContact NE-OE2 3.26Å; R222-E224 IonicContact NH2-OE1 2.69Å; R222-E224 PolarHBondContact NH2-OE1 3.28Å; R222-E224 IonicContact NH2-OE2 2.69Å; R222-E224 PolarHBondContact O-N 3.09Å; E224-T228 WeakPolarHBondContact O-CG2 3.43Å; E224-T228 PolarHBondContact O-OG1 2.99Å
225F98.8Very high98.3Very high0 Ų051.8 Ų51.80%026%0.259CS..Hα-helixtrans-89.6-51.5172.6175.3-125.1000112.4Q34 M38 L187 N191 A219 Y220 R222 E223 T228 C229Q34-F225 PolarHBondContact NE2-O 3.02Å; M38-F225 HydrophobicContact CE-CB 3.92Å; M38-F225 HydrophobicContact CE-CD2 4.07Å; M38-F225 HydrophobicContact CE-CG 4.42Å; M38-F225 HydrophobicContact SD-CD2 4.06Å; L187-F225 HydrophobicContact CB-CD2 3.69Å; L187-F225 HydrophobicContact CB-CE2 3.54Å; L187-F225 HydrophobicContact CB-CG 4.38Å; L187-F225 HydrophobicContact CB-CZ 4.07Å; L187-F225 HydrophobicContact CD1-CB 4.48Å; L187-F225 HydrophobicContact CD1-CD2 4.31Å; L187-F225 HydrophobicContact CD1-CG 4.26Å; N191-F225 HydrophobicContact CB-CE2 4.37Å; N191-F225 HydrophobicContact CB-CZ 3.99Å; A219-F225 HydrophobicContact CB-CD1 3.87Å; A219-F225 HydrophobicContact CB-CE1 4.17Å; A219-F225 WeakPolarHBondContact O-CD1 3.31Å; Y220-F225 HydrophobicContact CD1-CD1 4.26Å; Y220-F225 AromaticContact CD1-CE1 3.79Å; Y220-F225 HydrophobicContact CD1-CE1 3.79Å; Y220-F225 HydrophobicContact CD2-CE1 4.29Å; Y220-F225 AromaticContact CE1-CE1 3.66Å; Y220-F225 HydrophobicContact CE1-CE1 3.66Å; Y220-F225 HydrophobicContact CE1-CZ 4.28Å; Y220-F225 HydrophobicContact CE2-CE1 4.18Å; Y220-F225 HydrophobicContact CG-CE1 4.09Å; Y220-F225 AromaticContact CZ-CE1 3.86Å; R222-F225 PolarHBondContact O-N 3.34Å; R222-F225 VanDerWaalsContact O-N 3.12Å; E223-F225 PolarHBondContact O-N 2.77Å; E223-F225 VanDerWaalsContact O-N 3.15Å; F225-T228 PolarHBondContact O-N 2.83Å; F225-T228 PolarHBondContact O-OG1 3.34Å; F225-C229 PolarHBondContact O-N 3.18Å; F225-C229 PolarHBondContact O-SG 3.45Å; F225-C229 VanDerWaalsContact O-SG 3.33Å
226T98.1Very high98.3Very high43 Ų4353.9 Ų53.926%0.26427%0.269SS..Hα-helixtrans-68.9-39.3-171.155.90000113.5Y220 R222 E223 T228 C229Y220-T226 HydrophobicContact CD1-CG2 3.98Å; Y220-T226 WeakPolarHBondContact O-CG2 3.39Å; R222-T226 PolarHBondContact O-N 2.92Å; R222-T226 PolarHBondContact O-OG1 2.62Å; E223-T226 WeakPolarHBondContact CA-OG1 3.46Å; E223-T226 PolarHBondContact O-N 2.79Å; T226-T228 PolarHBondContact O-N 2.84Å; T226-C229 WeakPolarHBondContact O-CB 3.4Å; T226-C229 PolarHBondContact O-N 3.09Å
227H98Very high98.1Very high119 Ų11957.1 Ų57.155%0.55129%0.286SS*.THydrogen-bonded Turntrans-79.1-8.4-179.9-63.9167.1000113W41 E223W41-H227 HydrophobicContact CH2-CB 3.56Å; W41-H227 AromaticContact CH2-ND1 3.87Å; W41-H227 HydrophobicContact CZ3-CB 3.8Å; E223-H227 WeakPolarHBondContact O-CB 3.4Å; E223-H227 PolarHBondContact O-N 3.34Å
228T98.1Very high97.9Very high0 Ų054 Ų540%028%0.276CS..THydrogen-bonded Turntrans-98.4-9.6173.263.50000112.7Q34 F37 M38 W41 E224 F225 T226Q34-T228 VanDerWaalsContact CG-O 3.31Å; Q34-T228 WeakPolarHBondContact CG-O 3.48Å; Q34-T228 WeakPolarHBondContact CG-OG1 3.45Å; Q34-T228 PolarHBondContact NE2-OG1 3.05Å; F37-T228 HydrophobicContact CB-CG2 4.15Å; F37-T228 HydrophobicContact CD1-CG2 3.81Å; F37-T228 HydrophobicContact CD2-CG2 3.74Å; F37-T228 HydrophobicContact CE1-CG2 4.08Å; F37-T228 HydrophobicContact CE2-CG2 4.01Å; F37-T228 HydrophobicContact CG-CG2 3.62Å; F37-T228 HydrophobicContact CZ-CG2 4.17Å; M38-T228 HydrophobicContact CG-CG2 4.31Å; M38-T228 WeakPolarHBondContact CG-OG1 3.44Å; W41-T228 HydrophobicContact CE3-CG2 3.64Å; W41-T228 HydrophobicContact CZ3-CG2 3.92Å; E224-T228 WeakPolarHBondContact O-CG2 3.43Å; E224-T228 PolarHBondContact O-OG1 2.99Å; F225-T228 PolarHBondContact O-N 2.83Å; F225-T228 PolarHBondContact O-OG1 3.34Å; T226-T228 PolarHBondContact O-N 2.84Å
229C98.1Very high97.8Very high27 Ų2753 Ų5318%0.18227%0.269CS..SBendtrans-67.3138.6174.5-77.40000110.8Q34 F225 T226Q34-C229 PolarHBondContact NE2-SG 2.86Å; F225-C229 PolarHBondContact O-N 3.18Å; F225-C229 PolarHBondContact O-SG 3.45Å; F225-C229 VanDerWaalsContact O-SG 3.33Å; T226-C229 WeakPolarHBondContact O-CB 3.4Å; T226-C229 PolarHBondContact O-N 3.09Å
230P97.8Very high97.6Very high10 Ų1055 Ų557%0.06529%0.285CS..PPolyproline II helixtrans-68.9160.9164.833.8-36.7000110I27 E234 I235I27-P230 HydrophobicContact CG2-CB 4.36Å; I27-P230 WeakPolarHBondContact O-CB 3.41Å; P230-E234 HydrophobicContact CB-CB 4.28Å; P230-I235 HydrophobicContact CG-CD1 4Å; P230-I235 HydrophobicContact CG-CG1 3.81Å
231E97.9Very high97.3Very high147 Ų14755.5 Ų55.569%0.68730%0.3SS*.PPolyproline II helixtrans-56.1141.9168.2-70-66.6156.100111.1K233 E234 I235E231-K233 PolarHBondContact O-N 2.94Å; E231-K233 VanDerWaalsContact O-N 3.09Å; E231-E234 HydrophobicContact CB-CG 4.41Å; E231-E234 WeakPolarHBondContact O-CB 3.3Å; E231-E234 PolarHBondContact O-N 3.45Å; E231-I235 PolarHBondContact O-N 2.66Å
232D98.3Very high97Very high79 Ų7954.1 Ų54.142%0.42228%0.283SS..Hα-helixtrans-53.5-38-178.5-82.55.5000111.7V195 E234 I235 E236V195-D232 HydrophobicContact CG1-CB 3.95Å; V195-D232 HydrophobicContact CG2-CB 4.46Å; V195-D232 VanDerWaalsContact CG2-OD1 3.28Å; V195-D232 WeakPolarHBondContact CG2-OD1 3.36Å; D232-E234 VanDerWaalsContact C-N 3.27Å; D232-E234 PolarHBondContact O-N 3.31Å; D232-I235 WeakPolarHBondContact O-CB 3.42Å; D232-I235 PolarHBondContact O-N 2.79Å; D232-I235 VanDerWaalsContact O-N 3.1Å; D232-E236 WeakPolarHBondContact O-CG 3.46Å; D232-E236 PolarHBondContact O-N 3.26Å
233K97.5Very high96.6Very high135 Ų13551.4 Ų51.459%0.58727%0.274SS*.Hα-helixtrans-59.1-34.8177.7-171.7-179.3177.1-170.80112.9E231 E236 N237E231-K233 PolarHBondContact O-N 2.94Å; E231-K233 VanDerWaalsContact O-N 3.09Å; K233-E236 PolarHBondContact O-N 2.83Å; K233-N237 VanDerWaalsContact O-CB 3.27Å; K233-N237 WeakPolarHBondContact O-CB 3.47Å; K233-N237 PolarHBondContact O-N 2.93Å; K233-N237 PolarHBondContact O-ND2 3.13Å; K233-N237 PolarHBondContact O-OD1 2.72Å
234E97.9Very high96Very high20 Ų2054.1 Ų54.19%0.09328%0.284CS..Hα-helixtrans-69.8-35.7177.6-68.8-58.2134.300111.8G21 S22 N29 P230 E231 D232 T238G21-E234 VanDerWaalsContact CA-OE2 3.31Å; G21-E234 WeakPolarHBondContact CA-OE2 3.47Å; S22-E234 WeakPolarHBondContact CB-OE1 3.4Å; S22-E234 VanDerWaalsContact N-CD 3.28Å; S22-E234 PolarHBondContact N-OE1 3.31Å; S22-E234 PolarHBondContact N-OE2 3.01Å; S22-E234 PolarHBondContact OG-OE1 2.82Å; N29-E234 HydrophobicContact CB-CB 4.49Å; P230-E234 HydrophobicContact CB-CB 4.28Å; E231-E234 HydrophobicContact CB-CG 4.41Å; E231-E234 WeakPolarHBondContact O-CB 3.3Å; E231-E234 PolarHBondContact O-N 3.45Å; D232-E234 VanDerWaalsContact C-N 3.27Å; D232-E234 PolarHBondContact O-N 3.31Å; E234-T238 PolarHBondContact O-N 3.03Å; E234-T238 PolarHBondContact O-OG1 2.61Å
235I98.1Very high95Very high0 Ų056.3 Ų56.30%029%0.294CS..Hα-helixtrans-65.3-51.7171-59.5171.8000109.1N29 N191 I192 V195 A196 P230 E231 D232 N237 T238 Y239N29-I235 HydrophobicContact CB-CG1 4.25Å; N191-I235 WeakPolarHBondContact ND2-CD1 3.46Å; I192-I235 HydrophobicContact CB-CG2 4.35Å; I192-I235 HydrophobicContact CG1-CD1 4.27Å; I192-I235 HydrophobicContact CG1-CG1 4.39Å; I192-I235 HydrophobicContact CG1-CG2 4.31Å; I192-I235 HydrophobicContact CG2-CG2 4.09Å; V195-I235 HydrophobicContact CB-CB 4.4Å; V195-I235 HydrophobicContact CB-CD1 4.21Å; V195-I235 HydrophobicContact CB-CG2 4.05Å; V195-I235 HydrophobicContact CG1-CB 4Å; V195-I235 HydrophobicContact CG1-CD1 4.46Å; V195-I235 HydrophobicContact CG1-CG2 4Å; V195-I235 HydrophobicContact CG2-CD1 4.09Å; A196-I235 HydrophobicContact CB-CG2 4.13Å; P230-I235 HydrophobicContact CG-CD1 4Å; P230-I235 HydrophobicContact CG-CG1 3.81Å; E231-I235 PolarHBondContact O-N 2.66Å; D232-I235 WeakPolarHBondContact O-CB 3.42Å; D232-I235 PolarHBondContact O-N 2.79Å; D232-I235 VanDerWaalsContact O-N 3.1Å; I235-N237 PolarHBondContact O-N 3.14Å; I235-T238 WeakPolarHBondContact O-CB 3.24Å; I235-T238 PolarHBondContact O-N 3.43Å; I235-T238 VanDerWaalsContact O-N 3.14Å; I235-Y239 HydrophobicContact CG2-CD2 4.34Å; I235-Y239 HydrophobicContact CG2-CE2 4.36Å; I235-Y239 WeakPolarHBondContact O-CD2 3.39Å; I235-Y239 PolarHBondContact O-N 2.99Å
236E97.9Very high93.7Very high44 Ų4464.1 Ų64.121%0.20633%0.328CS..Hα-helixtrans-54.9-49.7179.2-67.5-173.7161.600111.9V195 K199 Y200 D232 K233 T238 Y239 A240V195-E236 HydrophobicContact CG1-CG 4.01Å; K199-E236 HydrophobicContact CB-CG 4.22Å; K199-E236 WeakPolarHBondContact CD-OE1 3.49Å; K199-E236 HydrophobicContact CG-CG 3.93Å; K199-E236 IonicContact NZ-OE1 2.75Å; K199-E236 PolarHBondContact NZ-OE1 2.76Å; K199-E236 IonicContact NZ-OE2 2.62Å; K199-E236 PolarHBondContact NZ-OE2 3.21Å; Y200-E236 WeakPolarHBondContact CE2-O 3.15Å; Y200-E236 PolarHBondContact OH-O 3.35Å; D232-E236 WeakPolarHBondContact O-CG 3.46Å; D232-E236 PolarHBondContact O-N 3.26Å; K233-E236 PolarHBondContact O-N 2.83Å; E236-T238 PolarHBondContact O-N 2.82Å; E236-Y239 PolarHBondContact O-N 2.62Å; E236-A240 PolarHBondContact O-N 3.34Å
237N96Very high91.9Very high70 Ų7070.9 Ų70.937%0.37438%0.377SS..Hα-helixtrans-54.3-39.6179.3-74.3-17.9000112.1K233 I235 Y239 A240K233-N237 VanDerWaalsContact O-CB 3.27Å; K233-N237 WeakPolarHBondContact O-CB 3.47Å; K233-N237 PolarHBondContact O-N 2.93Å; K233-N237 PolarHBondContact O-ND2 3.13Å; K233-N237 PolarHBondContact O-OD1 2.72Å; I235-N237 PolarHBondContact O-N 3.14Å; N237-Y239 VanDerWaalsContact C-N 3.28Å; N237-Y239 PolarHBondContact O-N 3.07Å; N237-A240 PolarHBondContact O-N 3.32Å
238T94.9Very high91.5Very high56 Ų5668.5 Ų68.534%0.34437%0.369SS..Hα-helixtrans-62-36.3179.5-58.40000112.3N29 E234 I235 E236N29-T238 WeakPolarHBondContact CB-OG1 3.38Å; N29-T238 VanDerWaalsContact ND2-CB 3.27Å; N29-T238 WeakPolarHBondContact ND2-CB 3.04Å; N29-T238 WeakPolarHBondContact ND2-CG2 3.4Å; N29-T238 PolarHBondContact ND2-OG1 3.36Å; E234-T238 PolarHBondContact O-N 3.03Å; E234-T238 PolarHBondContact O-OG1 2.61Å; I235-T238 WeakPolarHBondContact O-CB 3.24Å; I235-T238 PolarHBondContact O-N 3.43Å; I235-T238 VanDerWaalsContact O-N 3.14Å; E236-T238 PolarHBondContact O-N 2.82Å
239Y96.1Very high91.2Very high20 Ų2072.1 Ų72.18%0.07839%0.388CS..Hα-helixtrans-96.7-7.7-175.5-69.9-88.7000113.8F117 F120 I124 I192 A196 I235 E236 N237 S241 V242 A243F117-Y239 WeakPolarHBondContact CZ-OH 3.3Å; F120-Y239 AromaticContact CE1-CE1 3.89Å; F120-Y239 HydrophobicContact CE1-CE1 3.89Å; F120-Y239 AromaticContact CE1-CZ 3.85Å; F120-Y239 HydrophobicContact CZ-CE1 4.16Å; I124-Y239 HydrophobicContact CB-CD1 4.47Å; I124-Y239 HydrophobicContact CG1-CD1 3.83Å; I124-Y239 HydrophobicContact CG1-CE1 4.46Å; I124-Y239 HydrophobicContact CG1-CG 4.45Å; I124-Y239 HydrophobicContact CG2-CD1 3.75Å; I124-Y239 HydrophobicContact CG2-CE1 3.71Å; I192-Y239 HydrophobicContact CG2-CE2 3.52Å; I192-Y239 WeakPolarHBondContact CG2-OH 3.48Å; A196-Y239 HydrophobicContact CB-CD2 3.75Å; A196-Y239 HydrophobicContact CB-CE2 4.23Å; A196-Y239 HydrophobicContact CB-CG 4Å; I235-Y239 HydrophobicContact CG2-CD2 4.34Å; I235-Y239 HydrophobicContact CG2-CE2 4.36Å; I235-Y239 WeakPolarHBondContact O-CD2 3.39Å; I235-Y239 PolarHBondContact O-N 2.99Å; E236-Y239 PolarHBondContact O-N 2.62Å; N237-Y239 VanDerWaalsContact C-N 3.28Å; N237-Y239 PolarHBondContact O-N 3.07Å; Y239-S241 VanDerWaalsContact C-N 3.28Å; Y239-S241 PolarHBondContact O-N 3.24Å; Y239-V242 HydrophobicContact CD1-CG2 3.88Å; Y239-V242 HydrophobicContact CG-CG2 4.47Å; Y239-V242 WeakPolarHBondContact O-CG2 3.28Å; Y239-V242 PolarHBondContact O-N 2.71Å; Y239-A243 WeakPolarHBondContact O-CB 3.46Å; Y239-A243 PolarHBondContact O-N 3.39Å
240A94.8Very high90.8Very high42 Ų4274.6 Ų74.635%0.34740%0.4SS..THydrogen-bonded Turntrans-55.2-37-175.300000114.5Y200 E236 N237Y200-A240 WeakPolarHBondContact OH-CA 3.26Å; Y200-A240 WeakPolarHBondContact OH-CB 3.49Å; Y200-A240 PolarHBondContact OH-N 3.33Å; E236-A240 PolarHBondContact O-N 3.34Å; N237-A240 PolarHBondContact O-N 3.32Å
241S91Very high90.4Very high85 Ų8578.4 Ų78.459%0.59442%0.419SS*.THydrogen-bonded Turntrans-81.4-42.6179.959.80000112.6Y239Y239-S241 VanDerWaalsContact C-N 3.28Å; Y239-S241 PolarHBondContact O-N 3.24Å
242V91.8Very high89.9Confident55 Ų5574.1 Ų74.133%0.33340%0.402SS..THydrogen-bonded Turntrans-82.1-18.7-173-62.30000113.6K125 Y239K125-V242 HydrophobicContact CG-CB 4.23Å; K125-V242 HydrophobicContact CG-CG2 4.38Å; Y239-V242 HydrophobicContact CD1-CG2 3.88Å; Y239-V242 HydrophobicContact CG-CG2 4.47Å; Y239-V242 WeakPolarHBondContact O-CG2 3.28Å; Y239-V242 PolarHBondContact O-N 2.71Å
243A90.1Very high89.4Confident6 Ų673.8 Ų73.85%0.0540%0.401CS..THydrogen-bonded Turntrans-85.1-4.9-178.300000114.3I124 Y200 R201 Y239 Q245I124-A243 HydrophobicContact CD1-CB 4.41Å; I124-A243 HydrophobicContact CG1-CB 4.37Å; I124-A243 WeakPolarHBondContact O-CA 3.46Å; Y200-A243 HydrophobicContact CD1-CB 3.76Å; Y200-A243 HydrophobicContact CD2-CB 3.99Å; Y200-A243 HydrophobicContact CE1-CB 4.41Å; Y200-A243 HydrophobicContact CG-CB 3.52Å; R201-A243 PolarHBondContact NH1-O 3.13Å; R201-A243 PolarHBondContact NH2-O 3.15Å; Y239-A243 WeakPolarHBondContact O-CB 3.46Å; Y239-A243 PolarHBondContact O-N 3.39Å; A243-Q245 PolarHBondContact O-N 3.31Å
244K86.9Confident88.8Confident154 Ų15469.4 Ų69.467%0.6739%0.388SS*.PPolyproline II helixtrans-62.5124.4179-66.8-177.3179.1-1780111.1
245Q76.5Confident88.1Confident71 Ų7173.2 Ų73.233%0.33241%0.411SS..PPolyproline II helixtrans-93.8140.4175.9-68.8179.9-24.700110.5N132 R201 A243N132-Q245 PolarHBondContact ND2-NE2 3.18Å; N132-Q245 PolarHBondContact OD1-NE2 2.97Å; N132-Q245 VanDerWaalsContact OD1-NE2 3.08Å; R201-Q245 VanDerWaalsContact CZ-NE2 3.29Å; A243-Q245 PolarHBondContact O-N 3.31Å
246K72.6Confident87.3Confident163 Ų16379.3 Ų79.371%0.70945%0.445SS*.BIsolated β-bridgetrans-77.4131.1167.7-70.2-176.6177.8-177.70107.3T127T127-K246 PolarHBondContact O-N 3.24Å
247S58.8Low86.3Confident186 Ų18682.5 Ų82.5100%1.30147%0.466SS*.  trans-62.50176.5-500000111.3

Retrieved 247 of 247 residues in 76.4 ms (Link to these results)

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