F7GUY0_MACMU Loading...

Solute carrier family 66 member 2

AlphaFold DB , UniProt , Accession F7GUY0, Species MACMU (Macaca mulatta, Rhesus macaque), Gene SLC66A2, Length 271 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
1M50.6Low67.4Low237 Ų237119.7 Ų119.7100%1.16763%0.627SS**  029.60-152.3172.871.800111.5
2E56.8Low68.9Low181 Ų181114.7 Ų114.785%0.84661%0.607SS**  trans-118.6-13179.7-69.6-178.1146.500112.9
3A58.4Low70Confident72 Ų72113.5 Ų113.560%0.59560%0.6SS**SBendtrans-74-41.8178.700000112.7G5 L6 D7A3-G5 PolarHBondContact O-N 2.93Å; A3-L6 PolarHBondContact O-N 3.33Å; A3-L6 VanDerWaalsContact O-N 3.11Å; A3-D7 PolarHBondContact O-N 3.36Å
4E60.9Low70.8Confident169 Ų169114.7 Ų114.779%0.7960%0.6SS**Hα-helixtrans-67.5-23.3-178.8-58.6-156.3160.400113.4L6E4-L6 VanDerWaalsContact C-N 3.33Å
5G61.9Low71.6Confident42 Ų42113.6 Ų113.643%0.43359%0.591SS.*Hα-helixtrans-77.8-12.1176.400000114.3A3 W8A3-G5 PolarHBondContact O-N 2.93Å; G5-W8 VanDerWaalsContact C-CD1 3.41Å; G5-W8 PolarHBondContact O-NE1 2.94Å
6L69.2Low72.5Confident104 Ų104114.4 Ų114.455%0.54560%0.595SS.*Hα-helixtrans-101-32.3175.7-152.774.1000111A3 E4 W8 L9 L10A3-L6 PolarHBondContact O-N 3.33Å; A3-L6 VanDerWaalsContact O-N 3.11Å; E4-L6 VanDerWaalsContact C-N 3.33Å; L6-W8 VanDerWaalsContact C-N 3.3Å; L6-W8 PolarHBondContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 3.38Å; L6-L10 HydrophobicContact CB-CD1 4.3Å; L6-L10 HydrophobicContact CD2-CD1 3.95Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.38Å
7D69.4Low73.3Confident89 Ų89113.1 Ų113.148%0.47659%0.593SS.*Hα-helixtrans-60.5-35.9-179.2-68.6-28.5000113A3 L9 L10 V11A3-D7 PolarHBondContact O-N 3.36Å; D7-L9 VanDerWaalsContact C-N 3.27Å; D7-L9 PolarHBondContact O-N 3.05Å; D7-L10 PolarHBondContact O-N 3.47Å; D7-V11 VanDerWaalsContact O-CG2 3.26Å; D7-V11 WeakPolarHBondContact O-CG2 3.27Å; D7-V11 PolarHBondContact O-N 3.38Å
8W76.4Confident73.9Confident168 Ų168108.9 Ų108.964%0.63658%0.575SS**Hα-helixtrans-67.3-23.7176.678.9-91.3000113.9G5 L6 P12G5-W8 VanDerWaalsContact C-CD1 3.41Å; G5-W8 PolarHBondContact O-NE1 2.94Å; L6-W8 VanDerWaalsContact C-N 3.3Å; L6-W8 PolarHBondContact O-N 3.1Å; W8-P12 WeakPolarHBondContact O-CD 3.31Å; W8-P12 WeakPolarHBondContact O-CG 3.31Å
9L76.5Confident74.6Confident85 Ų85113.3 Ų113.345%0.44558%0.583SS.*Hα-helixtrans-89.2-36.7173.1-81168000111.8L6 D7 P12 L13L6-L9 PolarHBondContact O-N 3.38Å; D7-L9 VanDerWaalsContact C-N 3.27Å; D7-L9 PolarHBondContact O-N 3.05Å; L9-P12 VanDerWaalsContact O-CD 3.3Å; L9-P12 WeakPolarHBondContact O-CD 3.32Å; L9-P12 WeakPolarHBondContact O-CG 3.44Å; L9-L13 VanDerWaalsContact O-CB 3.24Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 2.7Å; L9-L13 VanDerWaalsContact O-N 3.16Å
10L80.3Confident75.3Confident80 Ų80109.7 Ų109.742%0.41958%0.575SS.*Hα-helixtrans-67.3-36.7-178.5-71.4170.5000112.2L6 D7 L13 H14L6-L10 HydrophobicContact CB-CD1 4.3Å; L6-L10 HydrophobicContact CD2-CD1 3.95Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.38Å; D7-L10 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.17Å; L10-H14 VanDerWaalsContact O-CB 3.23Å; L10-H14 WeakPolarHBondContact O-CB 3.44Å; L10-H14 PolarHBondContact O-N 3.03Å
11V80.5Confident75.9Confident90 Ų90105.4 Ų105.455%0.54556%0.555SS.*Hα-helixtrans-62.1-55.2177.7172.50000112.9D7 L13 H14 Q15D7-V11 VanDerWaalsContact O-CG2 3.26Å; D7-V11 WeakPolarHBondContact O-CG2 3.27Å; D7-V11 PolarHBondContact O-N 3.38Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.14Å; V11-H14 PolarHBondContact O-N 3.35Å; V11-Q15 VanDerWaalsContact O-CG 3.31Å; V11-Q15 WeakPolarHBondContact O-CG 3.28Å; V11-Q15 PolarHBondContact O-N 3.06Å
12P85.4Confident77.6Confident59 Ų5995.3 Ų95.338%0.38351%0.51SS..Hα-helixtrans-65.5-34.4177.623.9-32.4000111.9W8 L9 Q15 L16W8-P12 WeakPolarHBondContact O-CD 3.31Å; W8-P12 WeakPolarHBondContact O-CG 3.31Å; L9-P12 VanDerWaalsContact O-CD 3.3Å; L9-P12 WeakPolarHBondContact O-CD 3.32Å; L9-P12 WeakPolarHBondContact O-CG 3.44Å; P12-Q15 PolarHBondContact O-N 3.43Å; P12-L16 WeakPolarHBondContact O-CB 3.38Å; P12-L16 VanDerWaalsContact O-CG 3.28Å; P12-L16 WeakPolarHBondContact O-CG 3.36Å; P12-L16 PolarHBondContact O-N 2.93Å
13L84.3Confident79.1Confident99 Ų9988.9 Ų88.952%0.51849%0.487SS..Hα-helixtrans-62.9-47.5174.9-177.464.3000111.6L9 L10 V11 Q15 L16 V17L9-L13 VanDerWaalsContact O-CB 3.24Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 2.7Å; L9-L13 VanDerWaalsContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 3.17Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.14Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 3.31Å; L13-L16 PolarHBondContact O-N 3.41Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.43Å; L13-V17 PolarHBondContact O-N 2.96Å
14H81Confident80.6Confident131 Ų13187.6 Ų87.661%0.60648%0.477SS*.Hα-helixtrans-62.6-38.9176.9-179-91.2000111.8L10 V11 V17 S18L10-H14 VanDerWaalsContact O-CB 3.23Å; L10-H14 WeakPolarHBondContact O-CB 3.44Å; L10-H14 PolarHBondContact O-N 3.03Å; V11-H14 PolarHBondContact O-N 3.35Å; H14-V17 PolarHBondContact O-N 3.4Å; H14-S18 VanDerWaalsContact O-CB 3.26Å; H14-S18 WeakPolarHBondContact O-CB 3.28Å; H14-S18 PolarHBondContact O-N 3.5Å
15Q82.8Confident82Confident98 Ų9879.9 Ų79.946%0.45844%0.441SS..Hα-helixtrans-61.1-51.5172.5-70.5-67.2-16.800110.8V11 P12 L13 V17 S18 W19V11-Q15 VanDerWaalsContact O-CG 3.31Å; V11-Q15 WeakPolarHBondContact O-CG 3.28Å; V11-Q15 PolarHBondContact O-N 3.06Å; P12-Q15 PolarHBondContact O-N 3.43Å; L13-Q15 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 3.31Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.05Å; Q15-S18 PolarHBondContact O-N 2.85Å; Q15-S18 VanDerWaalsContact O-N 3.09Å; Q15-W19 PolarHBondContact O-N 3.41Å
16L85.7Confident83.4Confident126 Ų12678.6 Ų78.666%0.6643%0.425SS*.Hα-helixtrans-56.9-43.5178.2-73.2170.5000112.3P12 L13 W19 G20P12-L16 WeakPolarHBondContact O-CB 3.38Å; P12-L16 VanDerWaalsContact O-CG 3.28Å; P12-L16 WeakPolarHBondContact O-CG 3.36Å; P12-L16 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 3.41Å; L16-W19 PolarHBondContact O-N 3.34Å; L16-G20 PolarHBondContact O-N 2.89Å
17V86Confident84.4Confident93 Ų9379.1 Ų79.156%0.56442%0.423SS*.Hα-helixtrans-63.2-44.3176.11720000111.2L13 H14 Q15 G20 A21L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.43Å; L13-V17 PolarHBondContact O-N 2.96Å; H14-V17 PolarHBondContact O-N 3.4Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.05Å; V17-G20 PolarHBondContact O-N 3.27Å; V17-A21 WeakPolarHBondContact O-CB 3.32Å; V17-A21 PolarHBondContact O-N 3.26Å
18S84.5Confident85.2Confident37 Ų3776.6 Ų76.626%0.25942%0.417SS..Hα-helixtrans-63.9-43.7178.6-178.10000112.3H14 Q15 A21 A22H14-S18 VanDerWaalsContact O-CB 3.26Å; H14-S18 WeakPolarHBondContact O-CB 3.28Å; H14-S18 PolarHBondContact O-N 3.5Å; Q15-S18 PolarHBondContact O-N 2.85Å; Q15-S18 VanDerWaalsContact O-N 3.09Å; S18-A21 PolarHBondContact O-N 2.83Å; S18-A22 WeakPolarHBondContact O-CB 3.44Å; S18-A22 PolarHBondContact O-N 3.4Å
19W87.2Confident85.6Confident192 Ų19269.9 Ų69.973%0.72740%0.401SS*.Hα-helixtrans-65.1-42.9175.7-8172000111.6Q15 L16 A21 A22 A23Q15-W19 PolarHBondContact O-N 3.41Å; L16-W19 PolarHBondContact O-N 3.34Å; W19-A21 VanDerWaalsContact C-N 3.34Å; W19-A21 PolarHBondContact O-N 2.81Å; W19-A22 PolarHBondContact O-N 2.85Å; W19-A23 WeakPolarHBondContact O-CB 3.44Å; W19-A23 PolarHBondContact O-N 3.26Å
20G88.7Confident86.1Confident42 Ų4266.9 Ų66.943%0.43339%0.386SS..Hα-helixtrans-60-43.5173.400000112.1L16 V17 A23 A24L16-G20 PolarHBondContact O-N 2.89Å; V17-G20 PolarHBondContact O-N 3.27Å; G20-A23 PolarHBondContact O-N 3.49Å; G20-A24 WeakPolarHBondContact O-CB 3.22Å; G20-A24 PolarHBondContact O-N 2.96Å
21A87.5Confident86.4Confident19 Ų1966.2 Ų66.216%0.15739%0.385CS..Hα-helixtrans-65.9-41.9177.400000112.3V17 S18 W19 A24 M25 F216 Y220V17-A21 WeakPolarHBondContact O-CB 3.32Å; V17-A21 PolarHBondContact O-N 3.26Å; S18-A21 PolarHBondContact O-N 2.83Å; W19-A21 VanDerWaalsContact C-N 3.34Å; W19-A21 PolarHBondContact O-N 2.81Å; A21-A24 PolarHBondContact O-N 3.43Å; A21-M25 WeakPolarHBondContact O-CB 3.4Å; A21-M25 WeakPolarHBondContact O-CG 3.32Å; A21-M25 PolarHBondContact O-N 2.65Å; A21-F216 HydrophobicContact CB-CZ 3.96Å; A21-Y220 HydrophobicContact CB-CD2 4.35Å; A21-Y220 HydrophobicContact CB-CE2 4.15Å
22A86.8Confident86.6Confident25 Ų2562.5 Ų62.521%0.20736%0.363CS..Hα-helixtrans-62.5-43.5174.300000111.8S18 W19 M25 V26 P76S18-A22 WeakPolarHBondContact O-CB 3.44Å; S18-A22 PolarHBondContact O-N 3.4Å; W19-A22 PolarHBondContact O-N 2.85Å; A22-M25 WeakPolarHBondContact O-CB 3.19Å; A22-M25 PolarHBondContact O-N 3Å; A22-V26 WeakPolarHBondContact O-CB 3.35Å; A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 2.74Å; A22-P76 HydrophobicContact CB-CB 4.39Å; A22-P76 HydrophobicContact CB-CG 4.05Å
23A88.5Confident86.6Confident46 Ų4660.9 Ų60.938%0.3835%0.349SS..Hα-helixtrans-62.7-44.4174.900000111.6W19 G20 M25 V26 F27W19-A23 WeakPolarHBondContact O-CB 3.44Å; W19-A23 PolarHBondContact O-N 3.26Å; G20-A23 PolarHBondContact O-N 3.49Å; A23-M25 VanDerWaalsContact C-N 3.31Å; A23-M25 PolarHBondContact O-N 3.24Å; A23-V26 PolarHBondContact O-N 2.83Å; A23-F27 WeakPolarHBondContact O-CD2 3.44Å; A23-F27 PolarHBondContact O-N 3.42Å
24A89.7Confident86.7Confident45 Ų4559.1 Ų59.137%0.37234%0.342SS..Hα-helixtrans-61-38.7175.700000112G20 A21 G28 F216G20-A24 WeakPolarHBondContact O-CB 3.22Å; G20-A24 PolarHBondContact O-N 2.96Å; A21-A24 PolarHBondContact O-N 3.43Å; A24-G28 WeakPolarHBondContact O-CA 3.17Å; A24-G28 PolarHBondContact O-N 2.93Å; A24-F216 HydrophobicContact CB-CE1 3.74Å; A24-F216 HydrophobicContact CB-CZ 3.96Å
25M90.3Very high86.9Confident8 Ų856.6 Ų56.64%0.03934%0.338CS..Hα-helixtrans-64.4-43174.3-79.5-64.3-67.900112.5A21 A22 A23 L77 Q80 F216 K217 Y220 F221A21-M25 WeakPolarHBondContact O-CB 3.4Å; A21-M25 WeakPolarHBondContact O-CG 3.32Å; A21-M25 PolarHBondContact O-N 2.65Å; A22-M25 WeakPolarHBondContact O-CB 3.19Å; A22-M25 PolarHBondContact O-N 3Å; A23-M25 VanDerWaalsContact C-N 3.31Å; A23-M25 PolarHBondContact O-N 3.24Å; M25-L77 HydrophobicContact CE-CD1 3.78Å; M25-L77 HydrophobicContact CE-CG 4.16Å; M25-Q80 WeakPolarHBondContact O-CG 3.42Å; M25-F216 HydrophobicContact CG-CE1 3.99Å; M25-F216 HydrophobicContact SD-CD1 4.34Å; M25-F216 HydrophobicContact SD-CE1 4.07Å; M25-K217 HydrophobicContact CE-CG 3.93Å; M25-K217 HydrophobicContact SD-CB 4.13Å; M25-K217 HydrophobicContact SD-CG 4.04Å; M25-Y220 HydrophobicContact CE-CD1 3.73Å; M25-Y220 HydrophobicContact CE-CE1 4.18Å; M25-Y220 HydrophobicContact CE-CG 4.25Å; M25-Y220 HydrophobicContact CG-CD1 3.94Å; M25-Y220 HydrophobicContact CG-CD2 3.84Å; M25-Y220 HydrophobicContact CG-CE1 4.07Å; M25-Y220 HydrophobicContact CG-CE2 3.99Å; M25-Y220 HydrophobicContact CG-CG 3.81Å; M25-Y220 HydrophobicContact SD-CD1 3.98Å; M25-Y220 HydrophobicContact SD-CD2 4.44Å; M25-Y220 HydrophobicContact SD-CG 3.87Å; M25-F221 HydrophobicContact CE-CD1 4.33Å; M25-F221 HydrophobicContact CE-CE1 3.52Å; M25-F221 HydrophobicContact CE-CZ 4.08Å
26V90.9Very high87.1Confident15 Ų1554.1 Ų54.19%0.09133%0.326CS..Hα-helixtrans-69.1-45.9-177.7170.70000111.6A22 A23 P76 W79 I83A22-V26 WeakPolarHBondContact O-CB 3.35Å; A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 2.74Å; A23-V26 PolarHBondContact O-N 2.83Å; V26-P76 HydrophobicContact CG2-CB 3.99Å; V26-P76 WeakPolarHBondContact CG2-O 3.32Å; V26-W79 HydrophobicContact CG1-CB 4.36Å; V26-W79 HydrophobicContact CG2-CB 4.19Å; V26-I83 HydrophobicContact CG1-CD1 3.33Å
27F89.3Confident87.2Confident115 Ų11551.9 Ų51.950%0.50431%0.31SS..Hα-helixtrans-98.2-20.8-173.3-66.6-72.6000114.2A23 G29 V30 V31 I83A23-F27 WeakPolarHBondContact O-CD2 3.44Å; A23-F27 PolarHBondContact O-N 3.42Å; F27-G29 VanDerWaalsContact C-N 3.29Å; F27-G29 PolarHBondContact O-N 3.45Å; F27-V30 WeakPolarHBondContact O-CA 3.39Å; F27-V30 WeakPolarHBondContact O-CB 3.16Å; F27-V30 PolarHBondContact O-N 3.32Å; F27-V31 PolarHBondContact O-N 2.82Å; F27-I83 HydrophobicContact CD1-CD1 4.29Å; F27-I83 HydrophobicContact CE1-CD1 3.75Å; F27-I83 HydrophobicContact CZ-CD1 4.12Å
28G86.2Confident87.4Confident35 Ų3555.9 Ų55.936%0.36132%0.315SS..Hα-helixtrans-56.2-41.5-170.700000113.3A24 V30 V31 P32A24-G28 WeakPolarHBondContact O-CA 3.17Å; A24-G28 PolarHBondContact O-N 2.93Å; G28-V30 PolarHBondContact O-N 2.85Å; G28-V31 PolarHBondContact O-N 3.47Å; G28-P32 WeakPolarHBondContact O-CD 3.43Å
29G85Confident87.5Confident28 Ų2858.1 Ų58.129%0.28932%0.324SS..THydrogen-bonded Turntrans-65.4-24.3176.600000114.1F27 Y33 M84F27-G29 VanDerWaalsContact C-N 3.29Å; F27-G29 PolarHBondContact O-N 3.45Å; G29-Y33 VanDerWaalsContact O-CD2 3.32Å; G29-Y33 WeakPolarHBondContact O-CD2 3.26Å; G29-Y33 WeakPolarHBondContact O-CE2 3.34Å; G29-M84 VanDerWaalsContact C-CE 3.48Å; G29-M84 WeakPolarHBondContact O-CE 3.25Å
30V87.9Confident87.5Confident21 Ų2149.1 Ų49.113%0.12729%0.289CS..THydrogen-bonded Turntrans-86.2-29-177.11740000112.1F27 G28 P32 Y33 V34 I83 M84 T87F27-V30 WeakPolarHBondContact O-CA 3.39Å; F27-V30 WeakPolarHBondContact O-CB 3.16Å; F27-V30 PolarHBondContact O-N 3.32Å; G28-V30 PolarHBondContact O-N 2.85Å; V30-P32 VanDerWaalsContact C-CD 3.46Å; V30-P32 VanDerWaalsContact C-N 3.34Å; V30-Y33 PolarHBondContact O-N 2.71Å; V30-V34 HydrophobicContact CG1-CG2 4.5Å; V30-I83 HydrophobicContact CG2-CG2 3.67Å; V30-M84 HydrophobicContact CG2-CE 4.46Å; V30-T87 HydrophobicContact CG1-CG2 3.87Å; V30-T87 WeakPolarHBondContact CG1-OG1 3.4Å
31V87Confident87.6Confident67 Ų6754.8 Ų54.841%0.40630%0.298SS..THydrogen-bonded Turntrans-49.9-45-176172.10000113.3F27 G28 Y33 V34 P35 M209F27-V31 PolarHBondContact O-N 2.82Å; G28-V31 PolarHBondContact O-N 3.47Å; V31-Y33 VanDerWaalsContact C-N 3.25Å; V31-Y33 PolarHBondContact O-N 2.83Å; V31-V34 PolarHBondContact O-N 3.14Å; V31-P35 WeakPolarHBondContact O-CD 3.43Å; V31-M209 HydrophobicContact CG1-CE 3.8Å; V31-M209 HydrophobicContact CG1-SD 4.19Å
32P83Confident87.7Confident12 Ų1264.4 Ų64.48%0.07833%0.33CS..THydrogen-bonded Turntrans-64.7-24.7179.7-22.834.9000114.4G28 V30 P35 M206 M209G28-P32 WeakPolarHBondContact O-CD 3.43Å; V30-P32 VanDerWaalsContact C-CD 3.46Å; V30-P32 VanDerWaalsContact C-N 3.34Å; P32-P35 WeakPolarHBondContact O-CD 3.5Å; P32-P35 WeakPolarHBondContact O-CG 3.49Å; P32-M206 HydrophobicContact CB-CE 4.33Å; P32-M209 HydrophobicContact CG-SD 4.38Å
33Y85.5Confident87.8Confident24 Ų2466.7 Ų66.79%0.09434%0.341CS..Hα-helixtrans-83.2-20-178.4-59.9-73.9000113G29 V30 V31 Q36 Y37 F49 V53 L57 M84 T87 M88G29-Y33 VanDerWaalsContact O-CD2 3.32Å; G29-Y33 WeakPolarHBondContact O-CD2 3.26Å; G29-Y33 WeakPolarHBondContact O-CE2 3.34Å; V30-Y33 PolarHBondContact O-N 2.71Å; V31-Y33 VanDerWaalsContact C-N 3.25Å; V31-Y33 PolarHBondContact O-N 2.83Å; Y33-Q36 PolarHBondContact O-N 3.44Å; Y33-Y37 VanDerWaalsContact O-CB 3.32Å; Y33-Y37 WeakPolarHBondContact O-CB 3.28Å; Y33-Y37 PolarHBondContact O-N 3.33Å; Y33-F49 HydrophobicContact CD1-CE2 4.41Å; Y33-F49 HydrophobicContact CE1-CE2 4.34Å; Y33-V53 HydrophobicContact CE1-CG1 4.44Å; Y33-L57 HydrophobicContact CE1-CD1 4.46Å; Y33-L57 HydrophobicContact CE2-CD1 4.31Å; Y33-L57 WeakPolarHBondContact OH-CD1 3.44Å; Y33-M84 HydrophobicContact CE2-CE 4.31Å; Y33-M84 HydrophobicContact CE2-SD 4.11Å; Y33-T87 HydrophobicContact CG-CG2 4.46Å; Y33-M88 HydrophobicContact CD1-CE 3.8Å; Y33-M88 HydrophobicContact CD2-CE 3.63Å; Y33-M88 HydrophobicContact CE1-CE 3.83Å; Y33-M88 HydrophobicContact CE2-CE 3.67Å; Y33-M88 HydrophobicContact CG-CE 3.71Å
34V87.5Confident87.8Confident62 Ų6268.8 Ų68.838%0.37634%0.343SS..Hα-helixtrans-61.4-52.3176.2179.70000112.8V30 V31 Q36 Y37 R38V30-V34 HydrophobicContact CG1-CG2 4.5Å; V31-V34 PolarHBondContact O-N 3.14Å; V34-Q36 VanDerWaalsContact C-N 3.29Å; V34-Q36 PolarHBondContact O-N 3.07Å; V34-Y37 PolarHBondContact O-N 3.49Å; V34-R38 WeakPolarHBondContact O-CG 3.09Å; V34-R38 PolarHBondContact O-N 3.32Å; V34-R38 VanDerWaalsContact O-N 3.15Å
35P85.8Confident87.4Confident79 Ų7970.2 Ų70.251%0.51335%0.345SS..Hα-helixtrans-64.1-36.8175.525.5-33.1000111.4V31 P32 Y37 R38 D39V31-P35 WeakPolarHBondContact O-CD 3.43Å; P32-P35 WeakPolarHBondContact O-CD 3.5Å; P32-P35 WeakPolarHBondContact O-CG 3.49Å; P35-Y37 PolarHBondContact O-N 3.31Å; P35-R38 PolarHBondContact O-N 2.84Å; P35-D39 WeakPolarHBondContact O-CB 3.44Å; P35-D39 PolarHBondContact O-N 3.39Å
36Q85.5Confident87Confident46 Ų4669.9 Ų69.922%0.21534%0.343CS..Hα-helixtrans-61.8-44.7177.2-167.865.821.100112.3Y33 V34 R38 D39 I40 F49 M91Y33-Q36 PolarHBondContact O-N 3.44Å; V34-Q36 VanDerWaalsContact C-N 3.29Å; V34-Q36 PolarHBondContact O-N 3.07Å; Q36-R38 VanDerWaalsContact C-N 3.33Å; Q36-R38 PolarHBondContact O-N 3.25Å; Q36-D39 PolarHBondContact O-N 2.92Å; Q36-I40 HydrophobicContact CG-CD1 4.14Å; Q36-I40 WeakPolarHBondContact O-CG1 3.37Å; Q36-I40 PolarHBondContact O-N 3.42Å; Q36-F49 HydrophobicContact CG-CD2 3.87Å; Q36-F49 HydrophobicContact CG-CE2 4.39Å; Q36-F49 HydrophobicContact CG-CG 4.46Å; Q36-M91 HydrophobicContact CB-CE 4.37Å; Q36-M91 HydrophobicContact CG-CE 3.95Å
37Y89.1Confident86.2Confident79 Ų7974.9 Ų74.931%0.3137%0.37SS..Hα-helixtrans-59.1-46.3175.7-175.9-81.6000111.2Y33 V34 P35 D39 R41 M91 L94Y33-Y37 VanDerWaalsContact O-CB 3.32Å; Y33-Y37 WeakPolarHBondContact O-CB 3.28Å; Y33-Y37 PolarHBondContact O-N 3.33Å; V34-Y37 PolarHBondContact O-N 3.49Å; P35-Y37 PolarHBondContact O-N 3.31Å; Y37-D39 VanDerWaalsContact C-N 3.32Å; Y37-D39 PolarHBondContact O-N 3.33Å; Y37-R41 WeakPolarHBondContact O-CB 3.43Å; Y37-R41 PolarHBondContact O-N 3.39Å; Y37-M91 HydrophobicContact CD2-SD 3.72Å; Y37-M91 HydrophobicContact CG-SD 4.21Å; Y37-L94 HydrophobicContact CD1-CD2 4.09Å; Y37-L94 HydrophobicContact CD2-CB 4.28Å; Y37-L94 HydrophobicContact CD2-CD2 3.52Å; Y37-L94 HydrophobicContact CD2-CG 4.49Å; Y37-L94 HydrophobicContact CE1-CD2 4.13Å; Y37-L94 HydrophobicContact CE2-CB 3.74Å; Y37-L94 HydrophobicContact CE2-CD2 3.58Å; Y37-L94 HydrophobicContact CE2-CG 4.14Å; Y37-L94 HydrophobicContact CG-CD2 3.78Å; Y37-L94 WeakPolarHBondContact O-CD2 3.34Å
38R89.5Confident85.4Confident177 Ų17773 Ų7367%0.66838%0.382SS*.Hα-helixtrans-63.2-40.3178.7-72.6175.5175.3164.6-0.6111.6V34 P35 Q36 R41 R42V34-R38 WeakPolarHBondContact O-CG 3.09Å; V34-R38 PolarHBondContact O-N 3.32Å; V34-R38 VanDerWaalsContact O-N 3.15Å; P35-R38 PolarHBondContact O-N 2.84Å; Q36-R38 VanDerWaalsContact C-N 3.33Å; Q36-R38 PolarHBondContact O-N 3.25Å; R38-R41 PolarHBondContact O-N 2.98Å; R38-R42 VanDerWaalsContact O-CB 3.31Å; R38-R42 WeakPolarHBondContact O-CB 3.25Å; R38-R42 PolarHBondContact O-N 2.8Å
39D86.6Confident85.2Confident84 Ų8472.1 Ų72.145%0.44937%0.368SS..Hα-helixtrans-65-50.5179.3-169.656.3000111.7P35 Q36 Y37 R41 R42 T43P35-D39 WeakPolarHBondContact O-CB 3.44Å; P35-D39 PolarHBondContact O-N 3.39Å; Q36-D39 PolarHBondContact O-N 2.92Å; Y37-D39 VanDerWaalsContact C-N 3.32Å; Y37-D39 PolarHBondContact O-N 3.33Å; D39-R41 VanDerWaalsContact C-N 3.3Å; D39-R41 PolarHBondContact O-N 3.47Å; D39-R42 PolarHBondContact O-N 2.92Å; D39-R42 VanDerWaalsContact O-N 3.08Å; D39-T43 WeakPolarHBondContact O-CB 3.26Å; D39-T43 WeakPolarHBondContact O-CG2 3.47Å; D39-T43 PolarHBondContact O-N 2.66Å; D39-T43 PolarHBondContact O-OG1 3.02Å
40I88.1Confident85.2Confident2 Ų273.5 Ų73.51%0.0137%0.374CS..Hα-helixtrans-58.7-43.3176.9-65.4167.7000110.9Q36 R42 Q44 A46 F49 M91 L94 V98Q36-I40 HydrophobicContact CG-CD1 4.14Å; Q36-I40 WeakPolarHBondContact O-CG1 3.37Å; Q36-I40 PolarHBondContact O-N 3.42Å; I40-R42 VanDerWaalsContact C-N 3.31Å; I40-R42 PolarHBondContact O-N 2.81Å; I40-Q44 WeakPolarHBondContact O-CA 3.41Å; I40-Q44 PolarHBondContact O-N 3.47Å; I40-A46 HydrophobicContact CG2-CB 4.08Å; I40-F49 HydrophobicContact CD1-CB 3.72Å; I40-F49 HydrophobicContact CD1-CD1 4.38Å; I40-F49 HydrophobicContact CD1-CG 4.09Å; I40-M91 HydrophobicContact CD1-CE 3.83Å; I40-L94 HydrophobicContact CB-CD2 3.93Å; I40-L94 HydrophobicContact CG2-CD2 3.82Å; I40-L94 HydrophobicContact CG2-CG 4.01Å; I40-V98 HydrophobicContact CG2-CG2 4.2Å
41R90.3Very high85.3Confident162 Ų16272.7 Ų72.761%0.61137%0.369SS*.Hα-helixtrans-65.6-35.2178.6-170.3175-175.3-149.41112.1Y37 R38 D39 Q44 L94Y37-R41 WeakPolarHBondContact O-CB 3.43Å; Y37-R41 PolarHBondContact O-N 3.39Å; R38-R41 PolarHBondContact O-N 2.98Å; D39-R41 VanDerWaalsContact C-N 3.3Å; D39-R41 PolarHBondContact O-N 3.47Å; R41-Q44 PolarHBondContact O-NE2 3.12Å; R41-L94 HydrophobicContact CB-CD1 4.18Å; R41-L94 HydrophobicContact CB-CD2 4.25Å; R41-L94 HydrophobicContact CG-CD1 4.35Å
42R90.1Very high85.4Confident221 Ų22173.8 Ų73.883%0.83437%0.367SS*.Hα-helixtrans-76.5-43.7179.5-173.1-178.1-176.3178.32.2112.1R38 D39 I40 Q44R38-R42 VanDerWaalsContact O-CB 3.31Å; R38-R42 WeakPolarHBondContact O-CB 3.25Å; R38-R42 PolarHBondContact O-N 2.8Å; D39-R42 PolarHBondContact O-N 2.92Å; D39-R42 VanDerWaalsContact O-N 3.08Å; I40-R42 VanDerWaalsContact C-N 3.31Å; I40-R42 PolarHBondContact O-N 2.81Å; R42-Q44 VanDerWaalsContact C-N 3.33Å
43T87.6Confident85.8Confident72 Ų7275.4 Ų75.444%0.44238%0.376SS..Hα-helixtrans-79.8-17.5-176.758.80000112.7D39 N45D39-T43 WeakPolarHBondContact O-CB 3.26Å; D39-T43 WeakPolarHBondContact O-CG2 3.47Å; D39-T43 PolarHBondContact O-N 2.66Å; D39-T43 PolarHBondContact O-OG1 3.02Å; T43-N45 PolarHBondContact O-N 3.34Å; T43-N45 VanDerWaalsContact O-N 3.17Å; T43-N45 PolarHBondContact OG1-N 3.34Å; T43-N45 PolarHBondContact OG1-O 2.96Å
44Q88Confident86.1Confident90 Ų9074.2 Ų74.242%0.42137%0.371SS..THydrogen-bonded Turntrans51.832.7-170.1-64-68.6-66.200111.3I40 R41 R42 V98 N102I40-Q44 WeakPolarHBondContact O-CA 3.41Å; I40-Q44 PolarHBondContact O-N 3.47Å; R41-Q44 PolarHBondContact O-NE2 3.12Å; R42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-V98 WeakPolarHBondContact O-CG1 3.33Å; Q44-N102 PolarHBondContact O-ND2 3.21Å
45N83.1Confident86.5Confident75 Ų7572.7 Ų72.740%0.40136%0.361SS..  trans-130.5120.5178-171.9-8.2000109.5T43 D47T43-N45 PolarHBondContact O-N 3.34Å; T43-N45 VanDerWaalsContact O-N 3.17Å; T43-N45 PolarHBondContact OG1-N 3.34Å; T43-N45 PolarHBondContact OG1-O 2.96Å; N45-D47 WeakPolarHBondContact OD1-CB 3.48Å; N45-D47 PolarHBondContact OD1-N 3.15Å; N45-D47 PolarHBondContact OD1-OD2 3.42Å
46A80.1Confident86.9Confident1 Ų171.1 Ų71.11%0.00835%0.35CS..  trans-108.78.7-17900000113.1I40 C95 V98 R99I40-A46 HydrophobicContact CG2-CB 4.08Å; A46-C95 HydrophobicContact CB-CB 4.23Å; A46-V98 HydrophobicContact CB-CB 4.21Å; A46-V98 HydrophobicContact CB-CG1 3.96Å; A46-R99 HydrophobicContact CB-CG 4.28Å; A46-R99 PolarHBondContact O-NH2 2.73Å
47D74.9Confident87.4Confident121 Ų12169.1 Ų69.165%0.64734%0.34SS*.THydrogen-bonded Turntrans-75.7-26.4-177.5-64.7-25.8000112.3N45 F49N45-D47 WeakPolarHBondContact OD1-CB 3.48Å; N45-D47 PolarHBondContact OD1-N 3.15Å; N45-D47 PolarHBondContact OD1-OD2 3.42Å; D47-F49 PolarHBondContact O-N 2.88Å
48G71.8Confident87.8Confident74 Ų7465.4 Ų65.476%0.76333%0.326SS*.THydrogen-bonded Turntrans-72.9-12.1177.100000114.7
49F82.4Confident88.1Confident17 Ų1758.5 Ų58.58%0.07530%0.303CS..SBendtrans-116.5128.3179.8-179-100.4000111.2Y33 Q36 I40 D47 V53 C54 M91Y33-F49 HydrophobicContact CD1-CE2 4.41Å; Y33-F49 HydrophobicContact CE1-CE2 4.34Å; Q36-F49 HydrophobicContact CG-CD2 3.87Å; Q36-F49 HydrophobicContact CG-CE2 4.39Å; Q36-F49 HydrophobicContact CG-CG 4.46Å; I40-F49 HydrophobicContact CD1-CB 3.72Å; I40-F49 HydrophobicContact CD1-CD1 4.38Å; I40-F49 HydrophobicContact CD1-CG 4.09Å; D47-F49 PolarHBondContact O-N 2.88Å; F49-V53 HydrophobicContact CZ-CB 4.29Å; F49-V53 HydrophobicContact CZ-CG1 4.48Å; F49-C54 VanDerWaalsContact CE1-SG 3.53Å; F49-M91 HydrophobicContact CD1-CE 4.03Å; F49-M91 HydrophobicContact CD2-CE 4.24Å; F49-M91 HydrophobicContact CE1-CE 3.8Å; F49-M91 HydrophobicContact CE2-CE 4.04Å; F49-M91 HydrophobicContact CG-CE 4.23Å; F49-M91 HydrophobicContact CZ-CE 3.82Å
50S85.7Confident88.6Confident57 Ų5754.5 Ų54.540%0.39928%0.282SS..  trans-83.8117.5179.2179.70000111.1Y52 V53S50-Y52 PolarHBondContact O-N 3.3Å; S50-Y52 PolarHBondContact OG-N 2.85Å; S50-V53 WeakPolarHBondContact O-CB 3.25Å; S50-V53 PolarHBondContact O-N 2.71Å
51T89.1Confident89.1Confident5 Ų554.4 Ų54.43%0.03128%0.282CS..Hα-helixtrans-62.8-19.6174.553.40000112.7V53 C54 L55 L92 C95 W138T51-V53 VanDerWaalsContact C-N 3.26Å; T51-V53 PolarHBondContact O-N 3.45Å; T51-C54 VanDerWaalsContact O-CB 3.3Å; T51-C54 WeakPolarHBondContact O-CB 3.35Å; T51-C54 PolarHBondContact O-N 2.96Å; T51-C54 VanDerWaalsContact O-N 3.14Å; T51-L55 PolarHBondContact O-N 3.24Å; T51-L92 HydrophobicContact CG2-CD1 3.94Å; T51-C95 HydrophobicContact CG2-CB 4.11Å; T51-W138 PolarHBondContact O-NE1 3.44Å
52Y90.2Very high89.4Confident90 Ų9047.2 Ų47.235%0.35326%0.255SS..Hα-helixtrans-66.1-26.7172.8-66.8-79.6000112.9S50 C54 L55 V56 F137 W138S50-Y52 PolarHBondContact O-N 3.3Å; S50-Y52 PolarHBondContact OG-N 2.85Å; Y52-C54 VanDerWaalsContact C-N 3.27Å; Y52-C54 PolarHBondContact O-N 3.49Å; Y52-L55 HydrophobicContact CD1-CD2 4.32Å; Y52-L55 WeakPolarHBondContact O-CB 3.35Å; Y52-L55 PolarHBondContact O-N 3.02Å; Y52-V56 WeakPolarHBondContact O-CG2 3.48Å; Y52-V56 PolarHBondContact O-N 3.37Å; Y52-F137 PolarHBondContact OH-O 3.45Å; Y52-W138 HydrophobicContact CD1-CB 4.16Å; Y52-W138 HydrophobicContact CD1-CG 4.42Å; Y52-W138 HydrophobicContact CE1-CB 3.78Å; Y52-W138 HydrophobicContact CE1-CG 4.48Å
53V90.7Very high89.7Confident45 Ų4537.6 Ų37.627%0.27322%0.22SC..Hα-helixtrans-61.9-41.3171.9176.20000109.8Y33 F49 S50 T51 L55 V56 L57 L185Y33-V53 HydrophobicContact CE1-CG1 4.44Å; F49-V53 HydrophobicContact CZ-CB 4.29Å; F49-V53 HydrophobicContact CZ-CG1 4.48Å; S50-V53 WeakPolarHBondContact O-CB 3.25Å; S50-V53 PolarHBondContact O-N 2.71Å; T51-V53 VanDerWaalsContact C-N 3.26Å; T51-V53 PolarHBondContact O-N 3.45Å; V53-L55 PolarHBondContact O-N 3.34Å; V53-V56 PolarHBondContact O-N 3.27Å; V53-L57 HydrophobicContact CG1-CD1 3.92Å; V53-L57 WeakPolarHBondContact O-CB 3.14Å; V53-L57 PolarHBondContact O-N 2.89Å; V53-L185 HydrophobicContact CG1-CD2 4.38Å
54C93.2Very high90.1Very high0 Ų034.2 Ų34.20%020%0.199CC..Hα-helixtrans-61.9-42.3173.4-63.20000111.8F49 T51 Y52 L57 L58 M88F49-C54 VanDerWaalsContact CE1-SG 3.53Å; T51-C54 VanDerWaalsContact O-CB 3.3Å; T51-C54 WeakPolarHBondContact O-CB 3.35Å; T51-C54 PolarHBondContact O-N 2.96Å; T51-C54 VanDerWaalsContact O-N 3.14Å; Y52-C54 VanDerWaalsContact C-N 3.27Å; Y52-C54 PolarHBondContact O-N 3.49Å; C54-L57 PolarHBondContact O-N 3.3Å; C54-L58 VanDerWaalsContact O-CB 3.27Å; C54-L58 WeakPolarHBondContact O-CB 3.37Å; C54-L58 WeakPolarHBondContact O-CD1 3.33Å; C54-L58 WeakPolarHBondContact O-CG 3.39Å; C54-L58 PolarHBondContact O-N 3.22Å; C54-M88 HydrophobicContact CB-CB 4.26Å; C54-M88 HydrophobicContact CB-SD 4.17Å
55L94.5Very high90.5Very high29 Ų2931.9 Ų31.915%0.15219%0.189CC..Hα-helixtrans-57-55.2176.3173.659000111.7T51 Y52 V53 L57 L58 V59 F137 W138T51-L55 PolarHBondContact O-N 3.24Å; Y52-L55 HydrophobicContact CD1-CD2 4.32Å; Y52-L55 WeakPolarHBondContact O-CB 3.35Å; Y52-L55 PolarHBondContact O-N 3.02Å; V53-L55 PolarHBondContact O-N 3.34Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 2.99Å; L55-L58 PolarHBondContact O-N 3.15Å; L55-V59 HydrophobicContact CD1-CG2 3.84Å; L55-V59 HydrophobicContact CG-CG2 4.5Å; L55-V59 WeakPolarHBondContact O-CG2 3.5Å; L55-V59 PolarHBondContact O-N 3.03Å; L55-F137 HydrophobicContact CD2-CD1 4.46Å; L55-F137 HydrophobicContact CD2-CE1 3.61Å; L55-F137 HydrophobicContact CD2-CZ 4.34Å; L55-W138 HydrophobicContact CB-CD2 3.87Å; L55-W138 VanDerWaalsContact CB-CE2 3.48Å; L55-W138 HydrophobicContact CB-CE3 4.46Å; L55-W138 HydrophobicContact CB-CG 4.22Å; L55-W138 HydrophobicContact CB-CH2 4.33Å; L55-W138 HydrophobicContact CB-CZ2 3.72Å; L55-W138 HydrophobicContact CD1-CD2 4.02Å; L55-W138 HydrophobicContact CD1-CE3 3.72Å; L55-W138 HydrophobicContact CD1-CH2 3.67Å; L55-W138 HydrophobicContact CD1-CZ2 3.97Å; L55-W138 HydrophobicContact CD1-CZ3 3.55Å; L55-W138 HydrophobicContact CD2-CB 4.45Å; L55-W138 HydrophobicContact CD2-CD2 4.07Å; L55-W138 HydrophobicContact CD2-CE3 4.29Å; L55-W138 HydrophobicContact CD2-CG 4.14Å; L55-W138 HydrophobicContact CG-CD2 4.19Å; L55-W138 HydrophobicContact CG-CE3 4.37Å; L55-W138 HydrophobicContact CG-CZ2 4.41Å
56V94.6Very high91.2Very high47 Ų4729.3 Ų29.329%0.28518%0.175SC..Hα-helixtrans-59.7-43.5-175.5174.50000110.1Y52 V53 A60 T181 L185Y52-V56 WeakPolarHBondContact O-CG2 3.48Å; Y52-V56 PolarHBondContact O-N 3.37Å; V53-V56 PolarHBondContact O-N 3.27Å; V56-A60 VanDerWaalsContact O-CB 3.23Å; V56-A60 WeakPolarHBondContact O-CB 3.26Å; V56-A60 PolarHBondContact O-N 3.12Å; V56-T181 HydrophobicContact CG1-CG2 3.67Å; V56-T181 WeakPolarHBondContact CG1-O 3.33Å; V56-L185 HydrophobicContact CB-CD2 3.84Å; V56-L185 HydrophobicContact CG1-CD2 3.47Å; V56-L185 VanDerWaalsContact CG1-CD2 3.47Å; V56-L185 HydrophobicContact CG1-CG 4.05Å
57L95.3Very high91.9Very high3 Ų329.2 Ų29.22%0.01618%0.175CC..Hα-helixtrans-68.6-39.9176.8-78167.3000113Y33 V53 C54 L55 A60 N61 M84 M88 E182 L185Y33-L57 HydrophobicContact CE1-CD1 4.46Å; Y33-L57 HydrophobicContact CE2-CD1 4.31Å; Y33-L57 WeakPolarHBondContact OH-CD1 3.44Å; V53-L57 HydrophobicContact CG1-CD1 3.92Å; V53-L57 WeakPolarHBondContact O-CB 3.14Å; V53-L57 PolarHBondContact O-N 2.89Å; C54-L57 PolarHBondContact O-N 3.3Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 2.99Å; L57-A60 PolarHBondContact O-N 3.17Å; L57-N61 WeakPolarHBondContact O-CB 3.3Å; L57-N61 PolarHBondContact O-N 3.38Å; L57-N61 PolarHBondContact O-ND2 3.05Å; L57-M84 HydrophobicContact CD1-SD 4.32Å; L57-M84 HydrophobicContact CD2-CG 4.37Å; L57-M84 HydrophobicContact CD2-SD 4.41Å; L57-M88 HydrophobicContact CB-CG 3.7Å; L57-M88 HydrophobicContact CB-SD 4Å; L57-M88 HydrophobicContact CD1-CE 3.99Å; L57-M88 HydrophobicContact CD1-CG 4.24Å; L57-M88 HydrophobicContact CD1-SD 3.53Å; L57-M88 VanDerWaalsContact CD1-SD 3.53Å; L57-M88 HydrophobicContact CG-SD 4.42Å; L57-E182 HydrophobicContact CD2-CG 4.48Å; L57-L185 HydrophobicContact CD1-CD1 4.23Å; L57-L185 HydrophobicContact CD2-CD1 3.4Å; L57-L185 VanDerWaalsContact CD2-CD1 3.4Å; L57-L185 HydrophobicContact CG-CD1 3.7Å; L57-L185 HydrophobicContact CG-CD2 4.35Å
58L97.2Very high92.8Very high1 Ų125.5 Ų25.51%0.00515%0.152CC..Hα-helixtrans-60.1-50.9175.2-76.1163.3000110.3C54 L55 N61 I62 I85 M88 L89 W138 V150C54-L58 VanDerWaalsContact O-CB 3.27Å; C54-L58 WeakPolarHBondContact O-CB 3.37Å; C54-L58 WeakPolarHBondContact O-CD1 3.33Å; C54-L58 WeakPolarHBondContact O-CG 3.39Å; C54-L58 PolarHBondContact O-N 3.22Å; L55-L58 PolarHBondContact O-N 3.15Å; L58-N61 PolarHBondContact O-N 2.77Å; L58-I62 HydrophobicContact CB-CD1 4.48Å; L58-I62 WeakPolarHBondContact O-CB 3.44Å; L58-I62 VanDerWaalsContact O-CD1 3.25Å; L58-I62 WeakPolarHBondContact O-CD1 3.48Å; L58-I62 WeakPolarHBondContact O-CG1 3.4Å; L58-I62 PolarHBondContact O-N 3.44Å; L58-I85 HydrophobicContact CD2-CB 4.28Å; L58-I85 HydrophobicContact CD2-CG1 4.36Å; L58-I85 HydrophobicContact CD2-CG2 3.86Å; L58-M88 HydrophobicContact CD1-CB 4.26Å; L58-M88 HydrophobicContact CD2-CB 3.9Å; L58-M88 HydrophobicContact CG-CB 3.76Å; L58-L89 HydrophobicContact CD1-CD2 4.32Å; L58-L89 HydrophobicContact CD2-CD2 4.15Å; L58-L89 HydrophobicContact CD2-CG 4.09Å; L58-W138 HydrophobicContact CD1-CH2 4.25Å; L58-W138 HydrophobicContact CD1-CZ2 4.08Å; L58-V150 HydrophobicContact CD1-CG2 3.91Å
59V97.1Very high93.8Very high33 Ų3327.1 Ų27.120%0.214%0.138CC..Hα-helixtrans-58.2-52177.6169.70000110.9L55 N61 I62 L63 F153 T181L55-V59 HydrophobicContact CD1-CG2 3.84Å; L55-V59 HydrophobicContact CG-CG2 4.5Å; L55-V59 WeakPolarHBondContact O-CG2 3.5Å; L55-V59 PolarHBondContact O-N 3.03Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-N61 PolarHBondContact O-N 2.87Å; V59-I62 PolarHBondContact O-N 3.11Å; V59-L63 HydrophobicContact CG1-CD1 3.84Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CB 3.35Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.23Å; V59-L63 PolarHBondContact O-N 3.48Å; V59-F153 HydrophobicContact CB-CE1 4.37Å; V59-F153 HydrophobicContact CB-CZ 4.43Å; V59-F153 HydrophobicContact CG1-CE1 4.18Å; V59-F153 HydrophobicContact CG1-CZ 3.8Å; V59-F153 HydrophobicContact CG2-CE1 4.19Å; V59-F153 HydrophobicContact CG2-CZ 4.28Å; V59-T181 HydrophobicContact CG1-CG2 4.5Å
60A97Very high94.2Very high0 Ų027.9 Ų27.90%015%0.151CC..Hα-helixtrans-57.1-45-179.300000112.6V56 L57 R64 A178 T181 E182V56-A60 VanDerWaalsContact O-CB 3.23Å; V56-A60 WeakPolarHBondContact O-CB 3.26Å; V56-A60 PolarHBondContact O-N 3.12Å; L57-A60 PolarHBondContact O-N 3.17Å; A60-R64 WeakPolarHBondContact O-CB 3.44Å; A60-R64 PolarHBondContact O-N 3.35Å; A60-A178 WeakPolarHBondContact CB-O 3.36Å; A60-T181 HydrophobicContact CB-CG2 3.98Å; A60-E182 HydrophobicContact CB-CB 4.09Å
61N97.3Very high94.3Very high0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-76.8-32.6-177-72.8-80.3000112.6L57 L58 V59 R64 I65 S81 M84 I85L57-N61 WeakPolarHBondContact O-CB 3.3Å; L57-N61 PolarHBondContact O-N 3.38Å; L57-N61 PolarHBondContact O-ND2 3.05Å; L58-N61 PolarHBondContact O-N 2.77Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-N61 PolarHBondContact O-N 2.87Å; N61-R64 PolarHBondContact O-N 3.33Å; N61-R64 VanDerWaalsContact OD1-CZ 3.24Å; N61-R64 PolarHBondContact OD1-NH1 3.45Å; N61-R64 PolarHBondContact OD1-NH2 3.12Å; N61-R64 VanDerWaalsContact OD1-NH2 3.16Å; N61-I65 WeakPolarHBondContact O-CG1 3.22Å; N61-I65 PolarHBondContact O-N 3.2Å; N61-S81 WeakPolarHBondContact OD1-CA 3.18Å; N61-M84 WeakPolarHBondContact ND2-CG 3.36Å; N61-I85 HydrophobicContact CB-CD1 4Å; N61-I85 HydrophobicContact CB-CG1 3.67Å
62I97.8Very high94.3Very high10 Ų1038 Ų385%0.05118%0.18CC..Hα-helixtrans-64.4-49.9172.4-69.4160.1000109.9L58 V59 R64 I65 L66 I85 V150 F153 T154L58-I62 HydrophobicContact CB-CD1 4.48Å; L58-I62 WeakPolarHBondContact O-CB 3.44Å; L58-I62 VanDerWaalsContact O-CD1 3.25Å; L58-I62 WeakPolarHBondContact O-CD1 3.48Å; L58-I62 WeakPolarHBondContact O-CG1 3.4Å; L58-I62 PolarHBondContact O-N 3.44Å; V59-I62 PolarHBondContact O-N 3.11Å; I62-R64 PolarHBondContact O-N 3.04Å; I62-I65 PolarHBondContact O-N 3.39Å; I62-I65 VanDerWaalsContact O-N 3.15Å; I62-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 3.33Å; I62-I85 HydrophobicContact CG1-CD1 3.79Å; I62-I85 HydrophobicContact CG1-CG1 4.42Å; I62-V150 HydrophobicContact CD1-CG1 3.76Å; I62-F153 HydrophobicContact CB-CE1 4.15Å; I62-F153 HydrophobicContact CD1-CD1 4.09Å; I62-F153 HydrophobicContact CD1-CE1 4.42Å; I62-F153 HydrophobicContact CG2-CD1 4.1Å; I62-F153 HydrophobicContact CG2-CE1 3.86Å; I62-T154 HydrophobicContact CG2-CG2 4.18Å
63L96.9Very high94.1Very high20 Ų2034.6 Ų34.611%0.10517%0.167CC..Hα-helixtrans-59.5-35.3177-66.3177.2000111.6V59 L66 F67 F153 A157 L174 A178V59-L63 HydrophobicContact CG1-CD1 3.84Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CB 3.35Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.23Å; V59-L63 PolarHBondContact O-N 3.48Å; L63-L66 PolarHBondContact O-N 3.32Å; L63-F67 WeakPolarHBondContact O-CB 3.4Å; L63-F67 PolarHBondContact O-N 3.01Å; L63-F153 HydrophobicContact CD1-CZ 4.48Å; L63-F153 HydrophobicContact CD2-CE1 4.35Å; L63-F153 HydrophobicContact CD2-CZ 3.83Å; L63-F153 HydrophobicContact CG-CE1 4.4Å; L63-F153 HydrophobicContact CG-CZ 4.06Å; L63-A157 HydrophobicContact CD2-CB 4.4Å; L63-L174 HydrophobicContact CB-CD1 4.46Å; L63-L174 HydrophobicContact CD2-CD1 3.71Å; L63-A178 HydrophobicContact CB-CB 3.62Å
64R96Very high93.9Very high0 Ų035.8 Ų35.80%017%0.169CC..Hα-helixtrans-67.8-38.8177-158.1-177.7-42.3164.24.7113A60 N61 I62 F67 W68 F73 S81 A178 E182 F230A60-R64 WeakPolarHBondContact O-CB 3.44Å; A60-R64 PolarHBondContact O-N 3.35Å; N61-R64 PolarHBondContact O-N 3.33Å; N61-R64 VanDerWaalsContact OD1-CZ 3.24Å; N61-R64 PolarHBondContact OD1-NH1 3.45Å; N61-R64 PolarHBondContact OD1-NH2 3.12Å; N61-R64 VanDerWaalsContact OD1-NH2 3.16Å; I62-R64 PolarHBondContact O-N 3.04Å; R64-F67 PolarHBondContact O-N 2.87Å; R64-W68 PolarHBondContact O-N 3.01Å; R64-F73 HydrophobicContact CG-CZ 4.08Å; R64-S81 WeakPolarHBondContact CD-OG 3.4Å; R64-A178 HydrophobicContact CB-CB 4.11Å; R64-E182 IonicContact CZ-OE1 2.74Å; R64-E182 IonicContact CZ-OE2 3.9Å; R64-E182 IonicContact NH1-OE1 3.43Å; R64-E182 PolarHBondContact NH1-OE1 3.37Å; R64-E182 IonicContact NH1-OE2 3.53Å; R64-E182 IonicContact NH2-OE1 3.69Å; R64-E182 PolarHBondContact NH2-OE1 3.14Å; R64-E182 IonicContact NH2-OE2 3.73Å; R64-E182 PolarHBondContact NH2-OE2 3.33Å; R64-F230 HydrophobicContact CG-CE1 4.48Å; R64-F230 HydrophobicContact CG-CZ 4.36Å
65I96.7Very high93.6Very high42 Ų4239.9 Ų39.922%0.21520%0.198CC..Hα-helixtrans-64.9-42.4172.9-69.1168.6000110.1N61 I62 W68 F69 L78 I85N61-I65 WeakPolarHBondContact O-CG1 3.22Å; N61-I65 PolarHBondContact O-N 3.2Å; I62-I65 PolarHBondContact O-N 3.39Å; I62-I65 VanDerWaalsContact O-N 3.15Å; I65-W68 WeakPolarHBondContact O-CB 3.44Å; I65-W68 PolarHBondContact O-N 2.97Å; I65-F69 HydrophobicContact CG2-CE2 4.08Å; I65-F69 VanDerWaalsContact O-CD2 3.28Å; I65-F69 WeakPolarHBondContact O-CD2 3.49Å; I65-L78 HydrophobicContact CB-CD1 4.4Å; I65-L78 HydrophobicContact CG1-CD1 3.96Å; I65-L78 HydrophobicContact CG2-CD1 4.32Å; I65-I85 HydrophobicContact CD1-CD1 3.52Å
66L96.3Very high93.4Very high20 Ų2039.8 Ų39.811%0.10520%0.199CC..Hα-helixtrans-62.7-43.1175.5-66.7178.6000111.9I62 L63 W68 F69 A157 T161 L174I62-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 3.33Å; L63-L66 PolarHBondContact O-N 3.32Å; L66-W68 VanDerWaalsContact C-N 3.26Å; L66-W68 PolarHBondContact O-N 3.46Å; L66-F69 WeakPolarHBondContact O-CB 3.36Å; L66-F69 PolarHBondContact O-N 2.96Å; L66-F69 VanDerWaalsContact O-N 3.14Å; L66-A157 HydrophobicContact CD1-CB 3.6Å; L66-T161 HydrophobicContact CB-CG2 4.28Å; L66-L174 HydrophobicContact CB-CD2 4Å
67F94.9Very high93.1Very high0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-57.9-38.3174171.5-125.4000112.4L63 R64 F69 G70 R71 F73 V171 L174 P227 F230L63-F67 WeakPolarHBondContact O-CB 3.4Å; L63-F67 PolarHBondContact O-N 3.01Å; R64-F67 PolarHBondContact O-N 2.87Å; F67-F69 PolarHBondContact O-N 3.21Å; F67-G70 PolarHBondContact O-N 2.84Å; F67-R71 HydrophobicContact CD2-CB 4.41Å; F67-R71 HydrophobicContact CE2-CB 3.75Å; F67-R71 HydrophobicContact CZ-CB 4.02Å; F67-R71 HydrophobicContact CZ-CG 4.44Å; F67-R71 PolarHBondContact O-N 3.29Å; F67-F73 HydrophobicContact CD1-CD1 4.01Å; F67-F73 AromaticContact CD1-CE1 3.68Å; F67-F73 HydrophobicContact CD1-CE1 3.68Å; F67-F73 AromaticContact CE1-CD1 3.96Å; F67-F73 HydrophobicContact CE1-CD1 3.96Å; F67-F73 HydrophobicContact CE1-CE1 4.11Å; F67-V171 HydrophobicContact CD2-CG1 3.82Å; F67-V171 WeakPolarHBondContact CD2-O 3.43Å; F67-V171 HydrophobicContact CE2-CG1 3.85Å; F67-V171 WeakPolarHBondContact CE2-O 3.46Å; F67-L174 HydrophobicContact CB-CD2 4.31Å; F67-L174 HydrophobicContact CB-CG 4.41Å; F67-P227 HydrophobicContact CZ-CB 4.49Å; F67-F230 AromaticContact CE1-CE2 3.82Å; F67-F230 HydrophobicContact CE1-CE2 3.82Å; F67-F230 HydrophobicContact CE1-CZ 4.28Å
68W94.4Very high93Very high42 Ų4239.1 Ų39.116%0.15919%0.193CC..Hα-helixtrans-59.9-32.5177.8-175.982.9000113.4R64 I65 L66 R71 R72 F73 L78R64-W68 PolarHBondContact O-N 3.01Å; I65-W68 WeakPolarHBondContact O-CB 3.44Å; I65-W68 PolarHBondContact O-N 2.97Å; L66-W68 VanDerWaalsContact C-N 3.26Å; L66-W68 PolarHBondContact O-N 3.46Å; W68-R71 WeakPolarHBondContact CA-O 3.26Å; W68-R71 CarbonylContact O-C 3.52Å; W68-R72 VanDerWaalsContact CE2-CD 3.49Å; W68-R72 VanDerWaalsContact O-CD 3.26Å; W68-R72 WeakPolarHBondContact O-CD 3.37Å; W68-R72 PolarHBondContact O-N 2.89Å; W68-R72 PolarHBondContact O-NE 3.26Å; W68-F73 HydrophobicContact CB-CD1 4.29Å; W68-F73 HydrophobicContact CB-CE1 3.53Å; W68-F73 HydrophobicContact CB-CZ 3.7Å; W68-F73 AromaticContact CD1-CD1 3.82Å; W68-F73 AromaticContact CD1-CD2 3.88Å; W68-F73 AromaticContact CD1-CE1 3.73Å; W68-F73 AromaticContact CD1-CE2 3.78Å; W68-F73 AromaticContact CD1-CG 3.9Å; W68-F73 AromaticContact CD1-CZ 3.71Å; W68-F73 HydrophobicContact CG-CD1 4.47Å; W68-F73 HydrophobicContact CG-CE1 4.05Å; W68-F73 HydrophobicContact CG-CZ 4.07Å; W68-F73 PolarHBondContact NE1-O 3.19Å; W68-F73 VanDerWaalsContact NE1-O 3.11Å; W68-L78 HydrophobicContact CB-CD1 4.06Å; W68-L78 HydrophobicContact CD2-CD1 4.01Å; W68-L78 HydrophobicContact CD2-CD2 3.98Å; W68-L78 HydrophobicContact CE3-CD1 4.23Å; W68-L78 HydrophobicContact CE3-CD2 4.1Å; W68-L78 HydrophobicContact CG-CD1 3.93Å; W68-L78 HydrophobicContact CH2-CD2 3.76Å; W68-L78 HydrophobicContact CZ2-CD2 3.77Å; W68-L78 HydrophobicContact CZ3-CD2 3.98Å
69F92.6Very high92.8Very high109 Ų10947 Ų4748%0.47822%0.223SC..Hα-helixtrans-67.1-37.2175.4-74.1-75.9000112.4I65 L66 F67 I165I65-F69 HydrophobicContact CG2-CE2 4.08Å; I65-F69 VanDerWaalsContact O-CD2 3.28Å; I65-F69 WeakPolarHBondContact O-CD2 3.49Å; L66-F69 WeakPolarHBondContact O-CB 3.36Å; L66-F69 PolarHBondContact O-N 2.96Å; L66-F69 VanDerWaalsContact O-N 3.14Å; F67-F69 PolarHBondContact O-N 3.21Å; F69-I165 HydrophobicContact CB-CD1 4.37Å
70G89.8Confident92.6Very high33 Ų3345.7 Ų45.734%0.3422%0.215SC..Hα-helixtrans-76.9-40.9175.500000113.2F67F67-G70 PolarHBondContact O-N 2.84Å
71R89.6Confident92.6Very high117 Ų11745.7 Ų45.744%0.44222%0.215SC..SBendtrans-136.3110.4177.8-172.2171.8-174.41364.4111F67 W68 F73 V171 E172F67-R71 HydrophobicContact CD2-CB 4.41Å; F67-R71 HydrophobicContact CE2-CB 3.75Å; F67-R71 HydrophobicContact CZ-CB 4.02Å; F67-R71 HydrophobicContact CZ-CG 4.44Å; F67-R71 PolarHBondContact O-N 3.29Å; W68-R71 WeakPolarHBondContact CA-O 3.26Å; W68-R71 CarbonylContact O-C 3.52Å; R71-F73 WeakPolarHBondContact O-CD1 3.34Å; R71-F73 PolarHBondContact O-N 2.89Å; R71-V171 HydrophobicContact CB-CG1 4.09Å; R71-E172 VanDerWaalsContact CD-OE1 3.32Å; R71-E172 WeakPolarHBondContact CD-OE1 3.32Å; R71-E172 IonicContact CZ-OE1 2.9Å; R71-E172 IonicContact NE-OE1 3.35Å; R71-E172 IonicContact NH1-OE1 3.61Å; R71-E172 PolarHBondContact NH1-OE1 3.3Å; R71-E172 IonicContact NH1-OE2 2.77Å
72R88.4Confident92.5Very high158 Ų15847.1 Ų47.160%0.59623%0.227SC*.  trans-68.6123180-60.8-68.8166.4136.52.4110.4W68W68-R72 VanDerWaalsContact CE2-CD 3.49Å; W68-R72 VanDerWaalsContact O-CD 3.26Å; W68-R72 WeakPolarHBondContact O-CD 3.37Å; W68-R72 PolarHBondContact O-N 2.89Å; W68-R72 PolarHBondContact O-NE 3.26Å
73F86.8Confident92.4Very high18 Ų1848.4 Ų48.48%0.07923%0.234CC..  trans-119.2176168.357.4-101.1000109.7R64 F67 W68 R71 S75 L77 P227 F230R64-F73 HydrophobicContact CG-CZ 4.08Å; F67-F73 HydrophobicContact CD1-CD1 4.01Å; F67-F73 AromaticContact CD1-CE1 3.68Å; F67-F73 HydrophobicContact CD1-CE1 3.68Å; F67-F73 AromaticContact CE1-CD1 3.96Å; F67-F73 HydrophobicContact CE1-CD1 3.96Å; F67-F73 HydrophobicContact CE1-CE1 4.11Å; W68-F73 HydrophobicContact CB-CD1 4.29Å; W68-F73 HydrophobicContact CB-CE1 3.53Å; W68-F73 HydrophobicContact CB-CZ 3.7Å; W68-F73 AromaticContact CD1-CD1 3.82Å; W68-F73 AromaticContact CD1-CD2 3.88Å; W68-F73 AromaticContact CD1-CE1 3.73Å; W68-F73 AromaticContact CD1-CE2 3.78Å; W68-F73 AromaticContact CD1-CG 3.9Å; W68-F73 AromaticContact CD1-CZ 3.71Å; W68-F73 HydrophobicContact CG-CD1 4.47Å; W68-F73 HydrophobicContact CG-CE1 4.05Å; W68-F73 HydrophobicContact CG-CZ 4.07Å; W68-F73 PolarHBondContact NE1-O 3.19Å; W68-F73 VanDerWaalsContact NE1-O 3.11Å; R71-F73 WeakPolarHBondContact O-CD1 3.34Å; R71-F73 PolarHBondContact O-N 2.89Å; F73-S75 PolarHBondContact O-N 3.48Å; F73-L77 HydrophobicContact CD2-CB 3.64Å; F73-L77 HydrophobicContact CD2-CD2 3.83Å; F73-L77 HydrophobicContact CD2-CG 4.39Å; F73-L77 HydrophobicContact CE2-CB 3.42Å; F73-L77 VanDerWaalsContact CE2-CB 3.42Å; F73-L77 HydrophobicContact CE2-CD2 4.21Å; F73-P227 HydrophobicContact CB-CG 4.43Å; F73-F230 HydrophobicContact CD1-CE2 4.1Å; F73-F230 HydrophobicContact CD1-CZ 4.1Å; F73-F230 HydrophobicContact CD2-CZ 4.45Å; F73-F230 HydrophobicContact CE1-CZ 4.1Å; F73-F230 HydrophobicContact CE2-CZ 4.47Å; F73-F230 HydrophobicContact CG-CE2 4.24Å; F73-F230 HydrophobicContact CG-CZ 4.27Å; F73-F230 HydrophobicContact CZ-CZ 4.29Å
74E85.4Confident92.3Very high69 Ų6947.7 Ų47.732%0.32223%0.23SC..  trans-56.9136.6-172.3-60.8-166.5134.100113.6L77 Y220 K224E74-L77 HydrophobicContact CB-CD1 4.39Å; E74-L77 PolarHBondContact O-N 3.18Å; E74-L77 VanDerWaalsContact O-N 3.15Å; E74-Y220 WeakPolarHBondContact OE2-CE1 3.37Å; E74-Y220 PolarHBondContact OE2-OH 3.36Å; E74-Y220 VanDerWaalsContact OE2-OH 3.1Å; E74-K224 WeakPolarHBondContact OE1-CD 3.24Å; E74-K224 IonicContact OE1-NZ 3.47Å; E74-K224 WeakPolarHBondContact OE2-CG 3.42Å
75S87.6Confident92.4Very high86 Ų8649 Ų4960%0.60124%0.237SC*.Hα-helixtrans-54.4-34.7-177.3-50.40000115.7F73 L77 L78 W79F73-S75 PolarHBondContact O-N 3.48Å; S75-L77 VanDerWaalsContact C-N 3.27Å; S75-L77 PolarHBondContact O-N 2.91Å; S75-L78 WeakPolarHBondContact O-CB 3.47Å; S75-L78 PolarHBondContact O-N 2.89Å; S75-L78 VanDerWaalsContact O-N 3.11Å; S75-W79 PolarHBondContact O-N 2.97Å; S75-W79 VanDerWaalsContact O-N 3.08Å
76P89.3Confident92.4Very high27 Ų2751.9 Ų51.918%0.17525%0.252CS..Hα-helixtrans-56.8-36.5176.4-27.637.3000113.7A22 V26 L78 W79 Q80A22-P76 HydrophobicContact CB-CB 4.39Å; A22-P76 HydrophobicContact CB-CG 4.05Å; V26-P76 HydrophobicContact CG2-CB 3.99Å; V26-P76 WeakPolarHBondContact CG2-O 3.32Å; P76-L78 VanDerWaalsContact C-N 3.33Å; P76-W79 PolarHBondContact O-N 2.73Å; P76-Q80 WeakPolarHBondContact O-CB 3.13Å; P76-Q80 PolarHBondContact O-N 2.9Å
77L88.8Confident92.3Very high3 Ų351.9 Ų51.92%0.01625%0.252CS..Hα-helixtrans-71.6-30.7179-77.763.9000111.9M25 F73 E74 S75 Q80 S81 Y220 F221 F230M25-L77 HydrophobicContact CE-CD1 3.78Å; M25-L77 HydrophobicContact CE-CG 4.16Å; F73-L77 HydrophobicContact CD2-CB 3.64Å; F73-L77 HydrophobicContact CD2-CD2 3.83Å; F73-L77 HydrophobicContact CD2-CG 4.39Å; F73-L77 HydrophobicContact CE2-CB 3.42Å; F73-L77 VanDerWaalsContact CE2-CB 3.42Å; F73-L77 HydrophobicContact CE2-CD2 4.21Å; E74-L77 HydrophobicContact CB-CD1 4.39Å; E74-L77 PolarHBondContact O-N 3.18Å; E74-L77 VanDerWaalsContact O-N 3.15Å; S75-L77 VanDerWaalsContact C-N 3.27Å; S75-L77 PolarHBondContact O-N 2.91Å; L77-Q80 WeakPolarHBondContact O-CB 3.35Å; L77-S81 PolarHBondContact O-N 3.5Å; L77-S81 VanDerWaalsContact O-N 3.08Å; L77-S81 PolarHBondContact O-OG 3.03Å; L77-Y220 HydrophobicContact CD1-CE1 4.01Å; L77-F221 HydrophobicContact CD1-CE1 4.19Å; L77-F221 HydrophobicContact CD2-CD1 4.32Å; L77-F221 HydrophobicContact CD2-CE1 3.57Å; L77-F221 HydrophobicContact CD2-CZ 4.24Å; L77-F221 HydrophobicContact CG-CE1 3.95Å; L77-F230 HydrophobicContact CD2-CD1 4.1Å; L77-F230 HydrophobicContact CD2-CE1 3.74Å; L77-F230 HydrophobicContact CD2-CE2 4.41Å; L77-F230 HydrophobicContact CD2-CZ 3.91Å
78L92.5Very high92.4Very high33 Ų3351.9 Ų51.917%0.17325%0.252CS..Hα-helixtrans-67.5-45.2174.1-175.271.3000109.8I65 W68 S75 P76 S81 A82I65-L78 HydrophobicContact CB-CD1 4.4Å; I65-L78 HydrophobicContact CG1-CD1 3.96Å; I65-L78 HydrophobicContact CG2-CD1 4.32Å; W68-L78 HydrophobicContact CB-CD1 4.06Å; W68-L78 HydrophobicContact CD2-CD1 4.01Å; W68-L78 HydrophobicContact CD2-CD2 3.98Å; W68-L78 HydrophobicContact CE3-CD1 4.23Å; W68-L78 HydrophobicContact CE3-CD2 4.1Å; W68-L78 HydrophobicContact CG-CD1 3.93Å; W68-L78 HydrophobicContact CH2-CD2 3.76Å; W68-L78 HydrophobicContact CZ2-CD2 3.77Å; W68-L78 HydrophobicContact CZ3-CD2 3.98Å; S75-L78 WeakPolarHBondContact O-CB 3.47Å; S75-L78 PolarHBondContact O-N 2.89Å; S75-L78 VanDerWaalsContact O-N 3.11Å; P76-L78 VanDerWaalsContact C-N 3.33Å; L78-S81 WeakPolarHBondContact O-CB 3.34Å; L78-S81 PolarHBondContact O-N 2.84Å; L78-S81 VanDerWaalsContact O-N 3.1Å; L78-A82 PolarHBondContact O-N 3.43Å
79W93.4Very high92.4Very high166 Ų16651.8 Ų51.863%0.62926%0.255SS*.Hα-helixtrans-67.2-37.2176.7-120.5-159.6000113.5V26 S75 P76 S81 A82 I83V26-W79 HydrophobicContact CG1-CB 4.36Å; V26-W79 HydrophobicContact CG2-CB 4.19Å; S75-W79 PolarHBondContact O-N 2.97Å; S75-W79 VanDerWaalsContact O-N 3.08Å; P76-W79 PolarHBondContact O-N 2.73Å; W79-S81 VanDerWaalsContact C-N 3.26Å; W79-S81 PolarHBondContact O-N 3.16Å; W79-A82 HydrophobicContact CE3-CB 3.62Å; W79-A82 HydrophobicContact CZ3-CB 3.67Å; W79-A82 PolarHBondContact O-N 3.17Å; W79-I83 WeakPolarHBondContact O-CB 3.43Å; W79-I83 VanDerWaalsContact O-CG1 3.29Å; W79-I83 WeakPolarHBondContact O-CG1 3.5Å; W79-I83 PolarHBondContact O-N 3.4Å
80Q94.3Very high92.6Very high7 Ų750.6 Ų50.63%0.03325%0.253CS..Hα-helixtrans-52.8-47.3166.9-177.5-154.8-1500110.9M25 P76 L77 I83 M84M25-Q80 WeakPolarHBondContact O-CG 3.42Å; P76-Q80 WeakPolarHBondContact O-CB 3.13Å; P76-Q80 PolarHBondContact O-N 2.9Å; L77-Q80 WeakPolarHBondContact O-CB 3.35Å; Q80-I83 PolarHBondContact O-N 2.81Å; Q80-M84 VanDerWaalsContact O-CB 3.23Å; Q80-M84 WeakPolarHBondContact O-CB 3.38Å; Q80-M84 PolarHBondContact O-N 3.19Å
81S95.5Very high92.7Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-66.1-42.9-177-53.20000112.2N61 R64 L77 L78 W79 M84 I85N61-S81 WeakPolarHBondContact OD1-CA 3.18Å; R64-S81 WeakPolarHBondContact CD-OG 3.4Å; L77-S81 PolarHBondContact O-N 3.5Å; L77-S81 VanDerWaalsContact O-N 3.08Å; L77-S81 PolarHBondContact O-OG 3.03Å; L78-S81 WeakPolarHBondContact O-CB 3.34Å; L78-S81 PolarHBondContact O-N 2.84Å; L78-S81 VanDerWaalsContact O-N 3.1Å; W79-S81 VanDerWaalsContact C-N 3.26Å; W79-S81 PolarHBondContact O-N 3.16Å; S81-M84 PolarHBondContact O-N 2.91Å; S81-I85 WeakPolarHBondContact O-CG1 3.35Å; S81-I85 PolarHBondContact O-N 3.04Å
82A95.8Very high92.9Very high30 Ų3043.6 Ų43.625%0.24822%0.216CC..Hα-helixtrans-63.1-46.4176.900000112.1L78 W79 M84 I85 L86L78-A82 PolarHBondContact O-N 3.43Å; W79-A82 HydrophobicContact CE3-CB 3.62Å; W79-A82 HydrophobicContact CZ3-CB 3.67Å; W79-A82 PolarHBondContact O-N 3.17Å; A82-M84 VanDerWaalsContact C-N 3.33Å; A82-M84 PolarHBondContact O-N 3.17Å; A82-I85 PolarHBondContact O-N 3.48Å; A82-L86 PolarHBondContact O-N 2.92Å
83I95.9Very high93.2Very high37 Ų3740.3 Ų40.319%0.1921%0.207CC..Hα-helixtrans-66.6-37.6178.6-64.8178.9000110.9V26 F27 V30 W79 Q80 L86 T87V26-I83 HydrophobicContact CG1-CD1 3.33Å; F27-I83 HydrophobicContact CD1-CD1 4.29Å; F27-I83 HydrophobicContact CE1-CD1 3.75Å; F27-I83 HydrophobicContact CZ-CD1 4.12Å; V30-I83 HydrophobicContact CG2-CG2 3.67Å; W79-I83 WeakPolarHBondContact O-CB 3.43Å; W79-I83 VanDerWaalsContact O-CG1 3.29Å; W79-I83 WeakPolarHBondContact O-CG1 3.5Å; W79-I83 PolarHBondContact O-N 3.4Å; Q80-I83 PolarHBondContact O-N 2.81Å; I83-L86 PolarHBondContact O-N 3.39Å; I83-T87 WeakPolarHBondContact O-CB 3.38Å; I83-T87 PolarHBondContact O-N 3.08Å; I83-T87 PolarHBondContact O-OG1 3.27Å
84M95.4Very high93.5Very high4 Ų439.8 Ų39.82%0.0221%0.205CC..Hα-helixtrans-62.7-45.3175.1-174627600111.7G29 V30 Y33 L57 N61 Q80 S81 A82 L86 T87 M88G29-M84 VanDerWaalsContact C-CE 3.48Å; G29-M84 WeakPolarHBondContact O-CE 3.25Å; V30-M84 HydrophobicContact CG2-CE 4.46Å; Y33-M84 HydrophobicContact CE2-CE 4.31Å; Y33-M84 HydrophobicContact CE2-SD 4.11Å; L57-M84 HydrophobicContact CD1-SD 4.32Å; L57-M84 HydrophobicContact CD2-CG 4.37Å; L57-M84 HydrophobicContact CD2-SD 4.41Å; N61-M84 WeakPolarHBondContact ND2-CG 3.36Å; Q80-M84 VanDerWaalsContact O-CB 3.23Å; Q80-M84 WeakPolarHBondContact O-CB 3.38Å; Q80-M84 PolarHBondContact O-N 3.19Å; S81-M84 PolarHBondContact O-N 2.91Å; A82-M84 VanDerWaalsContact C-N 3.33Å; A82-M84 PolarHBondContact O-N 3.17Å; M84-L86 PolarHBondContact O-N 3.43Å; M84-T87 PolarHBondContact O-N 3.49Å; M84-M88 HydrophobicContact CG-CG 4.49Å; M84-M88 WeakPolarHBondContact O-CG 3.46Å; M84-M88 PolarHBondContact O-N 3.34Å; M84-M88 HydrophobicContact SD-CE 3.75Å; M84-M88 HydrophobicContact SD-CG 4.39Å
85I96.8Very high93.8Very high29 Ų2936.5 Ų36.515%0.14919%0.189CC..Hα-helixtrans-57.3-49.5175-71.9167.1000110.6L58 N61 I62 I65 S81 A82 T87 M88 L89L58-I85 HydrophobicContact CD2-CB 4.28Å; L58-I85 HydrophobicContact CD2-CG1 4.36Å; L58-I85 HydrophobicContact CD2-CG2 3.86Å; N61-I85 HydrophobicContact CB-CD1 4Å; N61-I85 HydrophobicContact CB-CG1 3.67Å; I62-I85 HydrophobicContact CG1-CD1 3.79Å; I62-I85 HydrophobicContact CG1-CG1 4.42Å; I65-I85 HydrophobicContact CD1-CD1 3.52Å; S81-I85 WeakPolarHBondContact O-CG1 3.35Å; S81-I85 PolarHBondContact O-N 3.04Å; A82-I85 PolarHBondContact O-N 3.48Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 3.1Å; I85-M88 PolarHBondContact O-N 2.92Å; I85-L89 HydrophobicContact CG2-CD1 4.13Å; I85-L89 WeakPolarHBondContact O-CG 3.31Å; I85-L89 PolarHBondContact O-N 3.36Å
86L96.8Very high93.9Very high101 Ų10132.8 Ų32.853%0.52916%0.163SC..Hα-helixtrans-57.8-46178177.362.3000111.5A82 I83 M84 M88 L89 L90A82-L86 PolarHBondContact O-N 2.92Å; I83-L86 PolarHBondContact O-N 3.39Å; M84-L86 PolarHBondContact O-N 3.43Å; L86-M88 VanDerWaalsContact C-N 3.35Å; L86-M88 PolarHBondContact O-N 3.28Å; L86-L89 PolarHBondContact O-N 3.41Å; L86-L90 HydrophobicContact CD1-CD1 4.42Å; L86-L90 HydrophobicContact CD1-CG 4.4Å; L86-L90 HydrophobicContact CG-CD1 4.22Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.81Å
87T95Very high94Very high20 Ų2036.4 Ų36.412%0.12318%0.177CC..Hα-helixtrans-61.1-43.6178.6-57.30000111.4V30 Y33 I83 M84 I85 L89 L90 M91V30-T87 HydrophobicContact CG1-CG2 3.87Å; V30-T87 WeakPolarHBondContact CG1-OG1 3.4Å; Y33-T87 HydrophobicContact CG-CG2 4.46Å; I83-T87 WeakPolarHBondContact O-CB 3.38Å; I83-T87 PolarHBondContact O-N 3.08Å; I83-T87 PolarHBondContact O-OG1 3.27Å; M84-T87 PolarHBondContact O-N 3.49Å; I85-T87 VanDerWaalsContact C-N 3.32Å; I85-T87 PolarHBondContact O-N 3.1Å; T87-L89 PolarHBondContact O-N 2.98Å; T87-L90 PolarHBondContact O-N 3.08Å; T87-M91 HydrophobicContact CG2-CG 4.49Å; T87-M91 WeakPolarHBondContact O-CB 3.27Å; T87-M91 WeakPolarHBondContact O-CG 3.4Å; T87-M91 PolarHBondContact O-N 3.36Å
88M95.8Very high94.1Very high0 Ų036.4 Ų36.40%018%0.178CC..Hα-helixtrans-66.4-37.3178.9-69.3-53.9109.200112.2Y33 C54 L57 L58 M84 I85 L86 M91 L92Y33-M88 HydrophobicContact CD1-CE 3.8Å; Y33-M88 HydrophobicContact CD2-CE 3.63Å; Y33-M88 HydrophobicContact CE1-CE 3.83Å; Y33-M88 HydrophobicContact CE2-CE 3.67Å; Y33-M88 HydrophobicContact CG-CE 3.71Å; C54-M88 HydrophobicContact CB-CB 4.26Å; C54-M88 HydrophobicContact CB-SD 4.17Å; L57-M88 HydrophobicContact CB-CG 3.7Å; L57-M88 HydrophobicContact CB-SD 4Å; L57-M88 HydrophobicContact CD1-CE 3.99Å; L57-M88 HydrophobicContact CD1-CG 4.24Å; L57-M88 HydrophobicContact CD1-SD 3.53Å; L57-M88 VanDerWaalsContact CD1-SD 3.53Å; L57-M88 HydrophobicContact CG-SD 4.42Å; L58-M88 HydrophobicContact CD1-CB 4.26Å; L58-M88 HydrophobicContact CD2-CB 3.9Å; L58-M88 HydrophobicContact CG-CB 3.76Å; M84-M88 HydrophobicContact CG-CG 4.49Å; M84-M88 WeakPolarHBondContact O-CG 3.46Å; M84-M88 PolarHBondContact O-N 3.34Å; M84-M88 HydrophobicContact SD-CE 3.75Å; M84-M88 HydrophobicContact SD-CG 4.39Å; I85-M88 PolarHBondContact O-N 2.92Å; L86-M88 VanDerWaalsContact C-N 3.35Å; L86-M88 PolarHBondContact O-N 3.28Å; M88-M91 PolarHBondContact O-N 3.19Å; M88-L92 VanDerWaalsContact O-CB 3.22Å; M88-L92 WeakPolarHBondContact O-CB 3.3Å; M88-L92 PolarHBondContact O-N 3.03Å
89L96.1Very high93.8Very high41 Ų4138.9 Ų38.922%0.21519%0.185CC..Hα-helixtrans-65.1-40.8172.9-68174.8000111.9L58 I85 L86 T87 L92 K93 F143L58-L89 HydrophobicContact CD1-CD2 4.32Å; L58-L89 HydrophobicContact CD2-CD2 4.15Å; L58-L89 HydrophobicContact CD2-CG 4.09Å; I85-L89 HydrophobicContact CG2-CD1 4.13Å; I85-L89 WeakPolarHBondContact O-CG 3.31Å; I85-L89 PolarHBondContact O-N 3.36Å; L86-L89 PolarHBondContact O-N 3.41Å; T87-L89 PolarHBondContact O-N 2.98Å; L89-L92 PolarHBondContact O-N 3.15Å; L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 PolarHBondContact O-N 3.1Å; L89-F143 HydrophobicContact CB-CZ 4.49Å; L89-F143 WeakPolarHBondContact O-CE2 3.43Å
90L95.3Very high93.5Very high84 Ų8433.7 Ų33.744%0.4417%0.171SC..Hα-helixtrans-65.3-43.4175.7-69.9174.2000112.2L86 T87 L92 K93 L94L86-L90 HydrophobicContact CD1-CD1 4.42Å; L86-L90 HydrophobicContact CD1-CG 4.4Å; L86-L90 HydrophobicContact CG-CD1 4.22Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.81Å; T87-L90 PolarHBondContact O-N 3.08Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-K93 PolarHBondContact O-N 3.33Å; L90-L94 PolarHBondContact O-N 2.92Å
91M93.3Very high93.2Very high2 Ų235 Ų351%0.0118%0.183CC..Hα-helixtrans-60-45174.3-78.1-63.2-62.200111.2Q36 Y37 I40 F49 T87 M88 L94 C95Q36-M91 HydrophobicContact CB-CE 4.37Å; Q36-M91 HydrophobicContact CG-CE 3.95Å; Y37-M91 HydrophobicContact CD2-SD 3.72Å; Y37-M91 HydrophobicContact CG-SD 4.21Å; I40-M91 HydrophobicContact CD1-CE 3.83Å; F49-M91 HydrophobicContact CD1-CE 4.03Å; F49-M91 HydrophobicContact CD2-CE 4.24Å; F49-M91 HydrophobicContact CE1-CE 3.8Å; F49-M91 HydrophobicContact CE2-CE 4.04Å; F49-M91 HydrophobicContact CG-CE 4.23Å; F49-M91 HydrophobicContact CZ-CE 3.82Å; T87-M91 HydrophobicContact CG2-CG 4.49Å; T87-M91 WeakPolarHBondContact O-CB 3.27Å; T87-M91 WeakPolarHBondContact O-CG 3.4Å; T87-M91 PolarHBondContact O-N 3.36Å; M88-M91 PolarHBondContact O-N 3.19Å; M91-L94 PolarHBondContact O-N 3.11Å; M91-C95 WeakPolarHBondContact O-CB 3.13Å; M91-C95 PolarHBondContact O-N 3.22Å; M91-C95 PolarHBondContact O-SG 3.28Å
92L93.4Very high92.8Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-65.1-43.8179.9-168.559.3000111.5T51 M88 L89 L90 L94 C95 T96 W138 F143 Y146T51-L92 HydrophobicContact CG2-CD1 3.94Å; M88-L92 VanDerWaalsContact O-CB 3.22Å; M88-L92 WeakPolarHBondContact O-CB 3.3Å; M88-L92 PolarHBondContact O-N 3.03Å; L89-L92 PolarHBondContact O-N 3.15Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.14Å; L92-C95 PolarHBondContact O-N 3.41Å; L92-T96 WeakPolarHBondContact O-CG2 3.44Å; L92-T96 PolarHBondContact O-N 3.26Å; L92-T96 PolarHBondContact O-OG1 3.27Å; L92-W138 HydrophobicContact CD2-CZ2 3.92Å; L92-F143 HydrophobicContact CB-CE2 4.43Å; L92-Y146 HydrophobicContact CD1-CD1 3.92Å; L92-Y146 HydrophobicContact CD1-CE1 3.91Å; L92-Y146 HydrophobicContact CD1-CG 4.26Å; L92-Y146 VanDerWaalsContact CD2-CB 3.43Å; L92-Y146 HydrophobicContact CD2-CD1 3.59Å; L92-Y146 HydrophobicContact CD2-CD2 4.34Å; L92-Y146 HydrophobicContact CD2-CE1 4.42Å; L92-Y146 HydrophobicContact CD2-CG 3.53Å; L92-Y146 HydrophobicContact CG-CD1 4.08Å; L92-Y146 HydrophobicContact CG-CD2 4.33Å; L92-Y146 HydrophobicContact CG-CG 3.97Å
93K94.4Very high92.2Very high90 Ų9040.1 Ų40.139%0.39120%0.204SC..Hα-helixtrans-55.5-52173.4-177.9177.1173.2178.80111.2L89 L90 C95 T96 E97 F143L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 PolarHBondContact O-N 3.1Å; L90-K93 PolarHBondContact O-N 3.33Å; K93-C95 VanDerWaalsContact C-N 3.33Å; K93-C95 PolarHBondContact O-N 2.93Å; K93-T96 WeakPolarHBondContact CA-OG1 3.34Å; K93-T96 PolarHBondContact O-N 3.46Å; K93-T96 PolarHBondContact O-OG1 3.17Å; K93-E97 WeakPolarHBondContact CE-OE1 3.38Å; K93-E97 HydrophobicContact CG-CG 4.47Å; K93-E97 IonicContact NZ-OE1 3.92Å; K93-E97 WeakPolarHBondContact O-CG 3.2Å; K93-E97 PolarHBondContact O-N 3.45Å; K93-F143 HydrophobicContact CB-CD2 3.77Å; K93-F143 HydrophobicContact CB-CE1 4.47Å; K93-F143 HydrophobicContact CB-CE2 3.71Å; K93-F143 HydrophobicContact CB-CG 4.2Å; K93-F143 HydrophobicContact CB-CZ 4.07Å; K93-F143 HydrophobicContact CG-CD1 4.45Å; K93-F143 HydrophobicContact CG-CD2 4.39Å; K93-F143 HydrophobicContact CG-CG 4.32Å
94L93.1Very high91.7Very high7 Ų742.3 Ų42.34%0.03722%0.216CC..Hα-helixtrans-57.7-46.4178.4179.268.5000111.6Y37 I40 R41 L90 M91 L92 T96 E97 V98Y37-L94 HydrophobicContact CD1-CD2 4.09Å; Y37-L94 HydrophobicContact CD2-CB 4.28Å; Y37-L94 HydrophobicContact CD2-CD2 3.52Å; Y37-L94 HydrophobicContact CD2-CG 4.49Å; Y37-L94 HydrophobicContact CE1-CD2 4.13Å; Y37-L94 HydrophobicContact CE2-CB 3.74Å; Y37-L94 HydrophobicContact CE2-CD2 3.58Å; Y37-L94 HydrophobicContact CE2-CG 4.14Å; Y37-L94 HydrophobicContact CG-CD2 3.78Å; Y37-L94 WeakPolarHBondContact O-CD2 3.34Å; I40-L94 HydrophobicContact CB-CD2 3.93Å; I40-L94 HydrophobicContact CG2-CD2 3.82Å; I40-L94 HydrophobicContact CG2-CG 4.01Å; R41-L94 HydrophobicContact CB-CD1 4.18Å; R41-L94 HydrophobicContact CB-CD2 4.25Å; R41-L94 HydrophobicContact CG-CD1 4.35Å; L90-L94 PolarHBondContact O-N 2.92Å; M91-L94 PolarHBondContact O-N 3.11Å; L92-L94 PolarHBondContact O-N 3.14Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.23Å; L94-E97 PolarHBondContact O-N 3.2Å; L94-V98 HydrophobicContact CD1-CG2 4.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.28Å; L94-V98 PolarHBondContact O-N 3.24Å
95C91.1Very high91.2Very high0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-61.3-41.7179.5-680000111.8A46 T51 M91 L92 K93 R99A46-C95 HydrophobicContact CB-CB 4.23Å; T51-C95 HydrophobicContact CG2-CB 4.11Å; M91-C95 WeakPolarHBondContact O-CB 3.13Å; M91-C95 PolarHBondContact O-N 3.22Å; M91-C95 PolarHBondContact O-SG 3.28Å; L92-C95 PolarHBondContact O-N 3.41Å; K93-C95 VanDerWaalsContact C-N 3.33Å; K93-C95 PolarHBondContact O-N 2.93Å; C95-R99 WeakPolarHBondContact O-CB 3.46Å; C95-R99 WeakPolarHBondContact O-CD 3.38Å; C95-R99 WeakPolarHBondContact O-CG 3.34Å; C95-R99 PolarHBondContact O-N 3.13Å
96T90.4Very high90.6Very high8 Ų846.2 Ų46.25%0.04924%0.243CC..Hα-helixtrans-67.1-43177.254.20000112.4L92 K93 L94 V98 R99 V100 Y146L92-T96 WeakPolarHBondContact O-CG2 3.44Å; L92-T96 PolarHBondContact O-N 3.26Å; L92-T96 PolarHBondContact O-OG1 3.27Å; K93-T96 WeakPolarHBondContact CA-OG1 3.34Å; K93-T96 PolarHBondContact O-N 3.46Å; K93-T96 PolarHBondContact O-OG1 3.17Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.23Å; T96-V98 PolarHBondContact O-N 2.94Å; T96-R99 PolarHBondContact O-N 3.28Å; T96-V100 WeakPolarHBondContact O-CB 3.27Å; T96-V100 VanDerWaalsContact O-CG2 3.3Å; T96-V100 WeakPolarHBondContact O-CG2 3.35Å; T96-V100 PolarHBondContact O-N 2.98Å; T96-Y146 HydrophobicContact CG2-CD2 3.98Å; T96-Y146 HydrophobicContact CG2-CE2 3.46Å; T96-Y146 VanDerWaalsContact CG2-CE2 3.46Å
97E90.8Very high89.8Confident102 Ų10245.4 Ų45.448%0.47723%0.233SC..Hα-helixtrans-61.2-45178.4-74.7177.4174.200111.4K93 L94 A101K93-E97 WeakPolarHBondContact CE-OE1 3.38Å; K93-E97 HydrophobicContact CG-CG 4.47Å; K93-E97 IonicContact NZ-OE1 3.92Å; K93-E97 WeakPolarHBondContact O-CG 3.2Å; K93-E97 PolarHBondContact O-N 3.45Å; L94-E97 PolarHBondContact O-N 3.2Å; E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 3.08Å
98V90.7Very high89.2Confident3 Ų352.3 Ų52.32%0.01826%0.257CS..Hα-helixtrans-64.9-44.1177.5170.40000111.5I40 Q44 A46 L94 T96 A101 N102I40-V98 HydrophobicContact CG2-CG2 4.2Å; Q44-V98 WeakPolarHBondContact O-CG1 3.33Å; A46-V98 HydrophobicContact CB-CB 4.21Å; A46-V98 HydrophobicContact CB-CG1 3.96Å; L94-V98 HydrophobicContact CD1-CG2 4.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.28Å; L94-V98 PolarHBondContact O-N 3.24Å; T96-V98 PolarHBondContact O-N 2.94Å; V98-A101 PolarHBondContact O-N 2.98Å; V98-N102 WeakPolarHBondContact O-CB 3.39Å; V98-N102 VanDerWaalsContact O-CG 3.29Å; V98-N102 PolarHBondContact O-N 2.86Å; V98-N102 PolarHBondContact O-ND2 2.97Å
99R87.3Confident88.5Confident86 Ų8660.7 Ų60.733%0.32529%0.289SS..Hα-helixtrans-61.6-45.8177.9-75.5171.5-174.1-125.5-3111.9A46 C95 T96 N102 E103A46-R99 HydrophobicContact CB-CG 4.28Å; A46-R99 PolarHBondContact O-NH2 2.73Å; C95-R99 WeakPolarHBondContact O-CB 3.46Å; C95-R99 WeakPolarHBondContact O-CD 3.38Å; C95-R99 WeakPolarHBondContact O-CG 3.34Å; C95-R99 PolarHBondContact O-N 3.13Å; T96-R99 PolarHBondContact O-N 3.28Å; R99-N102 PolarHBondContact O-N 3.18Å; R99-E103 PolarHBondContact O-N 3.14Å
100V86.7Confident87.5Confident57 Ų5761 Ų6135%0.34529%0.294SS..Hα-helixtrans-63.9-43.7177.6170.80000111.1T96 N102 E103 L104 S141T96-V100 WeakPolarHBondContact O-CB 3.27Å; T96-V100 VanDerWaalsContact O-CG2 3.3Å; T96-V100 WeakPolarHBondContact O-CG2 3.35Å; T96-V100 PolarHBondContact O-N 2.98Å; V100-N102 VanDerWaalsContact C-N 3.31Å; V100-N102 PolarHBondContact O-N 3.43Å; V100-E103 PolarHBondContact O-N 3.41Å; V100-L104 HydrophobicContact CG1-CD1 3.92Å; V100-L104 HydrophobicContact CG1-CG 4.36Å; V100-L104 WeakPolarHBondContact O-CB 3.21Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.22Å; V100-L104 PolarHBondContact O-N 3.04Å; V100-S141 WeakPolarHBondContact CG2-O 3.33Å
101A87.3Confident86.5Confident35 Ų3563 Ų6329%0.28930%0.299SS..Hα-helixtrans-59.6-43.2176.300000111.8E97 V98 L104 N105E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 3.08Å; V98-A101 PolarHBondContact O-N 2.98Å; A101-L104 PolarHBondContact O-N 3.47Å; A101-N105 WeakPolarHBondContact O-CB 3.23Å; A101-N105 PolarHBondContact O-N 3.42Å; A101-N105 PolarHBondContact O-ND2 2.88Å
102N86.8Confident85.6Confident59 Ų5966.7 Ų66.732%0.31633%0.33SS..Hα-helixtrans-66.5-41.2178.2-73.5-14.9000112.4Q44 V98 R99 V100 N105 A106Q44-N102 PolarHBondContact O-ND2 3.21Å; V98-N102 WeakPolarHBondContact O-CB 3.39Å; V98-N102 VanDerWaalsContact O-CG 3.29Å; V98-N102 PolarHBondContact O-N 2.86Å; V98-N102 PolarHBondContact O-ND2 2.97Å; R99-N102 PolarHBondContact O-N 3.18Å; V100-N102 VanDerWaalsContact C-N 3.31Å; V100-N102 PolarHBondContact O-N 3.43Å; N102-N105 PolarHBondContact O-N 2.74Å; N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 3.01Å
103E84.4Confident84.5Confident77 Ų7769.6 Ų69.636%0.3635%0.354SS..Hα-helixtrans-63.4-44.6175.7-167.4-175161.800111.6R99 V100 N105 A106 R107R99-E103 PolarHBondContact O-N 3.14Å; V100-E103 PolarHBondContact O-N 3.41Å; E103-N105 VanDerWaalsContact C-N 3.31Å; E103-N105 PolarHBondContact O-N 3.46Å; E103-A106 PolarHBondContact O-N 3.49Å; E103-R107 WeakPolarHBondContact O-CG 3.4Å; E103-R107 PolarHBondContact O-N 3.07Å; E103-R107 IonicContact OE1-CZ 3.36Å; E103-R107 IonicContact OE1-NE 3.25Å; E103-R107 PolarHBondContact OE1-NE 3.5Å; E103-R107 IonicContact OE1-NH2 2.71Å; E103-R107 PolarHBondContact OE1-NH2 3.06Å
104L84.8Confident82.9Confident84 Ų8467 Ų6744%0.4435%0.349SS..Hα-helixtrans-62.8-38176.3-70.5171.8000112.2V100 A101 R108V100-L104 HydrophobicContact CG1-CD1 3.92Å; V100-L104 HydrophobicContact CG1-CG 4.36Å; V100-L104 WeakPolarHBondContact O-CB 3.21Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.22Å; V100-L104 PolarHBondContact O-N 3.04Å; A101-L104 PolarHBondContact O-N 3.47Å; L104-R108 WeakPolarHBondContact O-CG 3.34Å; L104-R108 PolarHBondContact O-N 3.43Å
105N85.2Confident81.2Confident69 Ų6974.2 Ų74.237%0.36939%0.388SS..Hα-helixtrans-71.7-33.1176.6-70.8-17.4000112.4A101 N102 E103 R109A101-N105 WeakPolarHBondContact O-CB 3.23Å; A101-N105 PolarHBondContact O-N 3.42Å; A101-N105 PolarHBondContact O-ND2 2.88Å; N102-N105 PolarHBondContact O-N 2.74Å; E103-N105 VanDerWaalsContact C-N 3.31Å; E103-N105 PolarHBondContact O-N 3.46Å; N105-R109 WeakPolarHBondContact O-CG 3.33Å; N105-R109 PolarHBondContact O-N 3.42Å; N105-R109 PolarHBondContact O-NE 3.28Å
106A83.3Confident79.6Confident45 Ų4578.9 Ų78.937%0.37242%0.421SS..Hα-helixtrans-67.6-45.6171.800000111.3N102 E103 R108 R109 S110N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 3.01Å; E103-A106 PolarHBondContact O-N 3.49Å; A106-R108 PolarHBondContact O-N 3.48Å; A106-R109 WeakPolarHBondContact O-CB 3.38Å; A106-R109 PolarHBondContact O-N 3.3Å; A106-S110 PolarHBondContact O-N 3.39Å
107R80.3Confident77.8Confident84 Ų8486.4 Ų86.432%0.31745%0.453SS..Hα-helixtrans-59.5-45.3175.2-72.4-179.3-173.2-146.80.5112E103 R109 S110 F111 A124E103-R107 WeakPolarHBondContact O-CG 3.4Å; E103-R107 PolarHBondContact O-N 3.07Å; E103-R107 IonicContact OE1-CZ 3.36Å; E103-R107 IonicContact OE1-NE 3.25Å; E103-R107 PolarHBondContact OE1-NE 3.5Å; E103-R107 IonicContact OE1-NH2 2.71Å; E103-R107 PolarHBondContact OE1-NH2 3.06Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.25Å; R107-S110 WeakPolarHBondContact CA-OG 3.42Å; R107-S110 PolarHBondContact O-N 2.97Å; R107-S110 VanDerWaalsContact O-N 3.16Å; R107-S110 PolarHBondContact O-OG 3.46Å; R107-F111 HydrophobicContact CB-CD2 4.46Å; R107-F111 HydrophobicContact CB-CE2 4.37Å; R107-F111 WeakPolarHBondContact O-CD2 3.48Å; R107-F111 PolarHBondContact O-N 3.25Å; R107-A124 PolarHBondContact NH2-O 3.39Å
108R82Confident75.7Confident165 Ų16590.2 Ų90.262%0.62348%0.476SS*.Hα-helixtrans-58.4-40.1176.1-82.9-171.8-96.8-154.5-2.6112.5L104 A106 A112L104-R108 WeakPolarHBondContact O-CG 3.34Å; L104-R108 PolarHBondContact O-N 3.43Å; A106-R108 PolarHBondContact O-N 3.48Å; R108-A112 PolarHBondContact O-N 3.23Å
109R81.4Confident73.9Confident177 Ų17798 Ų9867%0.66851%0.513SS*.Hα-helixtrans-67.2-39.5175.3-75.6-178-75.8155.5-6.7112.5N105 A106 R107 A112 A113N105-R109 WeakPolarHBondContact O-CG 3.33Å; N105-R109 PolarHBondContact O-N 3.42Å; N105-R109 PolarHBondContact O-NE 3.28Å; A106-R109 WeakPolarHBondContact O-CB 3.38Å; A106-R109 PolarHBondContact O-N 3.3Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.25Å; R109-A112 PolarHBondContact O-N 2.97Å; R109-A113 WeakPolarHBondContact O-CB 3.33Å; R109-A113 PolarHBondContact O-N 3.48Å; R109-A113 VanDerWaalsContact O-N 3.08Å
110S75.1Confident72.1Confident46 Ų46103.3 Ų103.332%0.32254%0.541SS..Hα-helixtrans-67.7-38.7176.265.60000112.1A106 R107 A113 A114A106-S110 PolarHBondContact O-N 3.39Å; R107-S110 WeakPolarHBondContact CA-OG 3.42Å; R107-S110 PolarHBondContact O-N 2.97Å; R107-S110 VanDerWaalsContact O-N 3.16Å; R107-S110 PolarHBondContact O-OG 3.46Å; S110-A113 PolarHBondContact O-N 2.91Å; S110-A114 VanDerWaalsContact O-CB 3.25Å; S110-A114 WeakPolarHBondContact O-CB 3.29Å; S110-A114 PolarHBondContact O-N 2.89Å
111F74.3Confident70.5Confident127 Ų127103.6 Ų103.656%0.55754%0.543SS*.Hα-helixtrans-65.2-41.3174.6-78.2-67.1000112.6R107 A113 A114 D115 V121R107-F111 HydrophobicContact CB-CD2 4.46Å; R107-F111 HydrophobicContact CB-CE2 4.37Å; R107-F111 WeakPolarHBondContact O-CD2 3.48Å; R107-F111 PolarHBondContact O-N 3.25Å; F111-A113 PolarHBondContact O-N 3.45Å; F111-A114 PolarHBondContact O-N 3.24Å; F111-D115 PolarHBondContact O-N 3.27Å; F111-V121 HydrophobicContact CE1-CG2 4.48Å
112A75Confident68.5Low80 Ų80111.7 Ų111.766%0.66157%0.571SS**Hα-helixtrans-64.9-27.6174.300000113R108 R109R108-A112 PolarHBondContact O-N 3.23Å; R109-A112 PolarHBondContact O-N 2.97Å
113A70Confident66.8Low60 Ų60113.8 Ų113.850%0.49659%0.586SS.*Hα-helixtrans-84.5-32.2175.400000113.1R109 S110 F111 D115 S116R109-A113 WeakPolarHBondContact O-CB 3.33Å; R109-A113 PolarHBondContact O-N 3.48Å; R109-A113 VanDerWaalsContact O-N 3.08Å; S110-A113 PolarHBondContact O-N 2.91Å; F111-A113 PolarHBondContact O-N 3.45Å; A113-D115 VanDerWaalsContact C-N 3.29Å; A113-D115 PolarHBondContact O-N 3.22Å; A113-S116 PolarHBondContact O-N 3.37Å; A113-S116 PolarHBondContact O-OG 2.89Å
114A61.2Low65.4Low36 Ų36112.7 Ų112.730%0.29859%0.59SS.*Hα-helixtrans-72.8-18-179.500000113.5S110 F111 S116 K117S110-A114 VanDerWaalsContact O-CB 3.25Å; S110-A114 WeakPolarHBondContact O-CB 3.29Å; S110-A114 PolarHBondContact O-N 2.89Å; F111-A114 PolarHBondContact O-N 3.24Å; A114-S116 PolarHBondContact O-N 3.46Å; A114-K117 CarbonylContact O-C 3.31Å; A114-K117 PolarHBondContact O-N 3.29Å; A114-K117 VanDerWaalsContact O-N 3.07Å; A114-K117 VanDerWaalsContact O-O 3.11Å
115D57Low64Low159 Ų159113.9 Ų113.985%0.8560%0.603SS**THydrogen-bonded Turntrans-59.4-6.1168-155.738.6000112.8F111 A113F111-D115 PolarHBondContact O-N 3.27Å; A113-D115 VanDerWaalsContact C-N 3.29Å; A113-D115 PolarHBondContact O-N 3.22Å
116S58.1Low62.7Low98 Ų98121 Ų12169%0.68562%0.624SS**THydrogen-bonded Turntrans-106.9-14.7174.571.50000115.9A113 A114A113-S116 PolarHBondContact O-N 3.37Å; A113-S116 PolarHBondContact O-OG 2.89Å; A114-S116 PolarHBondContact O-N 3.46Å
117K52.1Low61.9Low166 Ų166123.2 Ų123.272%0.72262%0.623SS**SBendtrans-155.7126.8177.4-72.6-167.1178-179.70111.7A114 E119A114-K117 CarbonylContact O-C 3.31Å; A114-K117 PolarHBondContact O-N 3.29Å; A114-K117 VanDerWaalsContact O-N 3.07Å; A114-K117 VanDerWaalsContact O-O 3.11Å; K117-E119 VanDerWaalsContact C-N 3.33Å; K117-E119 PolarHBondContact O-N 3.5Å
118D47.7Very low61.1Low181 Ų181121.2 Ų121.297%0.96862%0.622SS**  trans-60.186.9168.9-69.2-50.1000110.9
119E52.6Low59.9Low168 Ų168116.2 Ų116.279%0.78561%0.605SS**  trans-125.5120.6165.2-129.1-172.9159.700108.2K117 V121K117-E119 VanDerWaalsContact C-N 3.33Å; K117-E119 PolarHBondContact O-N 3.5Å; E119-V121 PolarHBondContact O-N 2.95Å
120E49.3Very low58.9Low197 Ų197113.4 Ų113.492%0.92160%0.603SS**  trans-54107.7178.2-72.9-177.3142.900110.2K122E120-K122 VanDerWaalsContact C-N 3.35Å; E120-K122 PolarHBondContact O-N 2.97Å
121V53.2Low58.4Low62 Ų62115.6 Ų115.638%0.37661%0.611SS.*  trans-62.796.8173.11770000108F111 E119 V123F111-V121 HydrophobicContact CE1-CG2 4.48Å; E119-V121 PolarHBondContact O-N 2.95Å; V121-V123 PolarHBondContact O-N 3.39Å
122K44.5Very low57.8Low205 Ų205118.4 Ų118.489%0.89162%0.623SS**  trans-59.299.1170.5-112.7177.6179.9173.20108.5E120 A124E120-K122 VanDerWaalsContact C-N 3.35Å; E120-K122 PolarHBondContact O-N 2.97Å; K122-A124 PolarHBondContact O-N 2.91Å; K122-A124 VanDerWaalsContact O-N 3.13Å
123V51.9Low57.6Low103 Ų103117.7 Ų117.762%0.62461%0.608SS**  trans-62.5114.1177.1179.90000108.1V121V121-V123 PolarHBondContact O-N 3.39Å
124A53.9Low57.4Low55 Ų55120 Ų12046%0.45562%0.618SS.*  trans-59.1128.2170.800000108.8R107 K122R107-A124 PolarHBondContact NH2-O 3.39Å; K122-A124 PolarHBondContact O-N 2.91Å; K122-A124 VanDerWaalsContact O-N 3.13Å
125P55.5Low57.8Low108 Ų108126 Ų12670%0.70164%0.64SS**  trans-64.5139.3-172.223.1-31.4000111.2R127P125-R127 PolarHBondContact O-N 3.07Å; P125-R127 VanDerWaalsContact O-N 3.08Å
126R59.1Low58.6Low218 Ų218121.9 Ų121.982%0.82362%0.615SS**  trans-72.899.3178.5-166.6179.4-174.1178.81.1108.6S128R126-S128 PolarHBondContact O-N 3.49Å
127R65.3Low59.7Low92 Ų92121.7 Ų121.735%0.34760%0.602SS.*  trans-71.4124.9-176.6-58.5177.7-176.1-179.8-5.3110.6P125 D131 Q139 S141P125-R127 PolarHBondContact O-N 3.07Å; P125-R127 VanDerWaalsContact O-N 3.08Å; R127-D131 WeakPolarHBondContact CA-OD2 3.21Å; R127-Q139 VanDerWaalsContact NH1-OE1 3.11Å; R127-S141 PolarHBondContact O-N 3.34Å; R127-S141 PolarHBondContact O-OG 2.79Å
128S64.5Low61.3Low42 Ų42113.9 Ų113.929%0.29457%0.568SS.*  trans-119.1162.7-178.8-1770000111.6R126 L130 D131 D145R126-S128 PolarHBondContact O-N 3.49Å; S128-L130 PolarHBondContact O-N 2.88Å; S128-D131 PolarHBondContact N-OD2 3.36Å; S128-D131 WeakPolarHBondContact O-CB 3.35Å; S128-D131 PolarHBondContact O-N 3.47Å; S128-D131 VanDerWaalsContact O-N 3.12Å; S128-D145 PolarHBondContact OG-OD1 2.9Å
129F57Low62.9Low60 Ų60108.9 Ų108.926%0.26354%0.539SS..THydrogen-bonded Turntrans-54.8-29.7174.6177.5-111000113.8D131 W140 D145 C149F129-D131 VanDerWaalsContact C-N 3.29Å; F129-D131 PolarHBondContact O-N 2.97Å; F129-W140 AromaticContact CD2-CH2 3.88Å; F129-W140 HydrophobicContact CD2-CH2 3.88Å; F129-W140 AromaticContact CD2-CZ2 3.7Å; F129-W140 HydrophobicContact CD2-CZ2 3.7Å; F129-W140 HydrophobicContact CD2-CZ3 4.48Å; F129-W140 HydrophobicContact CE2-CH2 4.23Å; F129-W140 HydrophobicContact CE2-CZ2 4.26Å; F129-D145 HydrophobicContact CB-CB 3.82Å; F129-D145 WeakPolarHBondContact CB-OD1 3.38Å; F129-D145 PolarHBondContact N-OD1 2.87Å; F129-D145 VanDerWaalsContact N-OD1 3.17Å; F129-C149 HydrophobicContact CD2-CB 3.84Å; F129-C149 HydrophobicContact CE2-CB 3.44Å; F129-C149 VanDerWaalsContact CE2-CB 3.44Å; F129-C149 HydrophobicContact CZ-CB 4.35Å
130L60.5Low64.4Low119 Ų119101.8 Ų101.862%0.62351%0.505SS*.THydrogen-bonded Turntrans-81.3-5.9-178.5-63.5175.6000113.9S128 F132S128-L130 PolarHBondContact O-N 2.88Å; L130-F132 WeakPolarHBondContact O-CD2 3.45Å; L130-F132 PolarHBondContact O-N 2.82Å
131D64.1Low65.7Low91 Ų9194 Ų9449%0.48747%0.472SS..  trans-76.492.7172-62.3-34.2000107.5R127 S128 F129 D133R127-D131 WeakPolarHBondContact CA-OD2 3.21Å; S128-D131 PolarHBondContact N-OD2 3.36Å; S128-D131 WeakPolarHBondContact O-CB 3.35Å; S128-D131 PolarHBondContact O-N 3.47Å; S128-D131 VanDerWaalsContact O-N 3.12Å; F129-D131 VanDerWaalsContact C-N 3.29Å; F129-D131 PolarHBondContact O-N 2.97Å; D131-D133 PolarHBondContact O-N 3.22Å
132F60.6Low67.2Low187 Ų18793.2 Ų93.282%0.8247%0.469SS*.  trans-69.837.6179.6-72.2-82.5000113.4L130 P134L130-F132 WeakPolarHBondContact O-CD2 3.45Å; L130-F132 PolarHBondContact O-N 2.82Å; F132-P134 WeakPolarHBondContact O-CD 3.47Å
133D71.1Confident69.3Low64 Ų6486.2 Ų86.234%0.34244%0.439SS..  trans-92110.1175.1-171.2-7.3000110.1D131 H135 H136D131-D133 PolarHBondContact O-N 3.22Å; D133-H135 PolarHBondContact O-N 3.2Å; D133-H135 VanDerWaalsContact O-N 3.17Å; D133-H135 IonicContact OD1-CD2 3.78Å; D133-H135 PolarHBondContact OD1-N 3.05Å; D133-H135 VanDerWaalsContact OD1-N 3.12Å; D133-H136 PolarHBondContact O-N 2.91Å; D133-H136 VanDerWaalsContact O-N 3.12Å; D133-H136 IonicContact OD2-CE1 2.91Å; D133-H136 PolarHBondContact OD2-CE1 3.49Å; D133-H136 IonicContact OD2-ND1 3.82Å; D133-H136 PolarHBondContact OD2-ND1 2.84Å
134P66.7Low71.1Confident109 Ų10984.2 Ų84.271%0.70843%0.43SS*.G310 helixtrans-60.4-26.9-178.8-20.232.6000113.1F132 H136 F137F132-P134 WeakPolarHBondContact O-CD 3.47Å; P134-H136 PolarHBondContact O-N 2.87Å; P134-F137 WeakPolarHBondContact O-CB 3.49Å; P134-F137 PolarHBondContact O-N 3.44Å
135H70.1Confident72.8Confident162 Ų16282.2 Ų82.275%0.7541%0.411SS*.G310 helixtrans-69.5-20.4-179.7-73.4-66.7000113.3D133D133-H135 PolarHBondContact O-N 3.2Å; D133-H135 VanDerWaalsContact O-N 3.17Å; D133-H135 IonicContact OD1-CD2 3.78Å; D133-H135 PolarHBondContact OD1-N 3.05Å; D133-H135 VanDerWaalsContact OD1-N 3.12Å
136H72.1Confident74.6Confident72 Ų7277.2 Ų77.233%0.33338%0.378SS..G310 helixtrans-112.112-177.8-62.3103.6000113D133 P134 W138 Q139D133-H136 PolarHBondContact O-N 2.91Å; D133-H136 VanDerWaalsContact O-N 3.12Å; D133-H136 IonicContact OD2-CE1 2.91Å; D133-H136 PolarHBondContact OD2-CE1 3.49Å; D133-H136 IonicContact OD2-ND1 3.82Å; D133-H136 PolarHBondContact OD2-ND1 2.84Å; P134-H136 PolarHBondContact O-N 2.87Å; H136-W138 PolarHBondContact O-N 3.29Å; H136-Q139 PolarHBondContact O-N 2.92Å
137F82.8Confident76.2Confident95 Ų9568.7 Ų68.742%0.41735%0.351SS..THydrogen-bonded Turntrans-55.6133.6179.3-179-108000111.3Y52 L55 P134 Q139 W140Y52-F137 PolarHBondContact OH-O 3.45Å; L55-F137 HydrophobicContact CD2-CD1 4.46Å; L55-F137 HydrophobicContact CD2-CE1 3.61Å; L55-F137 HydrophobicContact CD2-CZ 4.34Å; P134-F137 WeakPolarHBondContact O-CB 3.49Å; P134-F137 PolarHBondContact O-N 3.44Å; F137-Q139 VanDerWaalsContact C-N 3.27Å; F137-Q139 PolarHBondContact O-N 3.15Å; F137-W140 HydrophobicContact CD2-CH2 4.5Å; F137-W140 HydrophobicContact CD2-CZ2 4.18Å; F137-W140 HydrophobicContact CE2-CH2 4.13Å; F137-W140 HydrophobicContact CE2-CZ2 4.22Å
138W84.6Confident77.5Confident2 Ų268.8 Ų68.81%0.00836%0.355CS..THydrogen-bonded Turntrans64.521.9179.9-148.5-102.2000116.1T51 Y52 L55 L58 L92 H136 W140 Y146 C149 V150T51-W138 PolarHBondContact O-NE1 3.44Å; Y52-W138 HydrophobicContact CD1-CB 4.16Å; Y52-W138 HydrophobicContact CD1-CG 4.42Å; Y52-W138 HydrophobicContact CE1-CB 3.78Å; Y52-W138 HydrophobicContact CE1-CG 4.48Å; L55-W138 HydrophobicContact CB-CD2 3.87Å; L55-W138 VanDerWaalsContact CB-CE2 3.48Å; L55-W138 HydrophobicContact CB-CE3 4.46Å; L55-W138 HydrophobicContact CB-CG 4.22Å; L55-W138 HydrophobicContact CB-CH2 4.33Å; L55-W138 HydrophobicContact CB-CZ2 3.72Å; L55-W138 HydrophobicContact CD1-CD2 4.02Å; L55-W138 HydrophobicContact CD1-CE3 3.72Å; L55-W138 HydrophobicContact CD1-CH2 3.67Å; L55-W138 HydrophobicContact CD1-CZ2 3.97Å; L55-W138 HydrophobicContact CD1-CZ3 3.55Å; L55-W138 HydrophobicContact CD2-CB 4.45Å; L55-W138 HydrophobicContact CD2-CD2 4.07Å; L55-W138 HydrophobicContact CD2-CE3 4.29Å; L55-W138 HydrophobicContact CD2-CG 4.14Å; L55-W138 HydrophobicContact CG-CD2 4.19Å; L55-W138 HydrophobicContact CG-CE3 4.37Å; L55-W138 HydrophobicContact CG-CZ2 4.41Å; L58-W138 HydrophobicContact CD1-CH2 4.25Å; L58-W138 HydrophobicContact CD1-CZ2 4.08Å; L92-W138 HydrophobicContact CD2-CZ2 3.92Å; H136-W138 PolarHBondContact O-N 3.29Å; W138-W140 HydrophobicContact CD2-CZ3 4.22Å; W138-W140 HydrophobicContact CE3-CE3 4.39Å; W138-W140 AromaticContact CE3-CH2 3.63Å; W138-W140 HydrophobicContact CE3-CH2 3.63Å; W138-W140 AromaticContact CE3-CZ3 3.4Å; W138-W140 HydrophobicContact CE3-CZ3 3.4Å; W138-W140 HydrophobicContact CZ3-CH2 4Å; W138-W140 AromaticContact CZ3-CZ3 3.63Å; W138-W140 HydrophobicContact CZ3-CZ3 3.63Å; W138-Y146 AromaticContact CD2-CD1 3.83Å; W138-Y146 HydrophobicContact CD2-CD1 3.83Å; W138-Y146 AromaticContact CD2-CE1 3.93Å; W138-Y146 HydrophobicContact CD2-CE1 3.93Å; W138-Y146 AromaticContact CE2-CD1 3.64Å; W138-Y146 AromaticContact CE2-CE1 3.9Å; W138-Y146 HydrophobicContact CE3-CD1 4.12Å; W138-Y146 HydrophobicContact CG-CD1 4.41Å; W138-Y146 HydrophobicContact CG-CE1 4.03Å; W138-Y146 HydrophobicContact CH2-CD1 4.14Å; W138-Y146 AromaticContact CZ2-CD1 3.84Å; W138-Y146 HydrophobicContact CZ2-CD1 3.84Å; W138-Y146 HydrophobicContact CZ3-CD1 4.26Å; W138-Y146 AromaticContact NE1-CE1 3.93Å; W138-Y146 PolarHBondContact O-OH 3.13Å; W138-C149 HydrophobicContact CZ3-CB 4.17Å; W138-V150 HydrophobicContact CH2-CG2 3.93Å
139Q81.8Confident78.9Confident76 Ų7667.7 Ų67.736%0.35535%0.347SS..  trans-118.741.8172.4-59.6-175.51.100112.1R127 H136 F137R127-Q139 VanDerWaalsContact NH1-OE1 3.11Å; H136-Q139 PolarHBondContact O-N 2.92Å; F137-Q139 VanDerWaalsContact C-N 3.27Å; F137-Q139 PolarHBondContact O-N 3.15Å
140W83.4Confident80.7Confident19 Ų1965.5 Ų65.57%0.07234%0.339CS..  trans-76.3153.1-178.5-55-53.9000113F129 F137 W138 D145 Y146 C149F129-W140 AromaticContact CD2-CH2 3.88Å; F129-W140 HydrophobicContact CD2-CH2 3.88Å; F129-W140 AromaticContact CD2-CZ2 3.7Å; F129-W140 HydrophobicContact CD2-CZ2 3.7Å; F129-W140 HydrophobicContact CD2-CZ3 4.48Å; F129-W140 HydrophobicContact CE2-CH2 4.23Å; F129-W140 HydrophobicContact CE2-CZ2 4.26Å; F137-W140 HydrophobicContact CD2-CH2 4.5Å; F137-W140 HydrophobicContact CD2-CZ2 4.18Å; F137-W140 HydrophobicContact CE2-CH2 4.13Å; F137-W140 HydrophobicContact CE2-CZ2 4.22Å; W138-W140 HydrophobicContact CD2-CZ3 4.22Å; W138-W140 HydrophobicContact CE3-CE3 4.39Å; W138-W140 AromaticContact CE3-CH2 3.63Å; W138-W140 HydrophobicContact CE3-CH2 3.63Å; W138-W140 AromaticContact CE3-CZ3 3.4Å; W138-W140 HydrophobicContact CE3-CZ3 3.4Å; W138-W140 HydrophobicContact CZ3-CH2 4Å; W138-W140 AromaticContact CZ3-CZ3 3.63Å; W138-W140 HydrophobicContact CZ3-CZ3 3.63Å; W140-D145 HydrophobicContact CB-CB 3.69Å; W140-D145 HydrophobicContact CD2-CB 3.94Å; W140-D145 HydrophobicContact CE3-CB 4.03Å; W140-D145 HydrophobicContact CG-CB 3.8Å; W140-Y146 HydrophobicContact CB-CD2 4.38Å; W140-Y146 HydrophobicContact CB-CE2 3.8Å; W140-Y146 HydrophobicContact CD2-CE1 4.46Å; W140-Y146 AromaticContact CE3-CD1 3.38Å; W140-Y146 HydrophobicContact CE3-CD1 3.38Å; W140-Y146 HydrophobicContact CE3-CD2 4.09Å; W140-Y146 AromaticContact CE3-CE1 3.65Å; W140-Y146 HydrophobicContact CE3-CE1 3.65Å; W140-Y146 HydrophobicContact CE3-CE2 4.3Å; W140-Y146 AromaticContact CE3-CG 3.64Å; W140-Y146 HydrophobicContact CE3-CG 3.64Å; W140-Y146 AromaticContact CZ3-CD1 3.68Å; W140-Y146 HydrophobicContact CZ3-CD1 3.68Å; W140-Y146 HydrophobicContact CZ3-CE1 4.21Å; W140-Y146 HydrophobicContact CZ3-CG 4.12Å; W140-Y146 PolarHBondContact N-OH 2.71Å; W140-Y146 WeakPolarHBondContact O-CE2 3.44Å; W140-Y146 PolarHBondContact O-OH 3.25Å; W140-C149 HydrophobicContact CH2-CB 3.47Å; W140-C149 VanDerWaalsContact CH2-CB 3.47Å; W140-C149 HydrophobicContact CZ3-CB 3.61Å
141S77.3Confident82.4Confident33 Ų3365.2 Ų65.223%0.23134%0.337CS..SBendtrans-82.4-24.6-176.762.40000113.5V100 R127V100-S141 WeakPolarHBondContact CG2-O 3.33Å; R127-S141 PolarHBondContact O-N 3.34Å; R127-S141 PolarHBondContact O-OG 2.79Å
142S84.3Confident83.9Confident45 Ų4563.2 Ų63.232%0.31533%0.334SS..SBendtrans-114.7139.5-177.4-176.80000111.8S144 D145 Y146S142-S144 PolarHBondContact O-N 2.94Å; S142-S144 PolarHBondContact OG-N 3.29Å; S142-D145 WeakPolarHBondContact CB-OD2 3.28Å; S142-D145 WeakPolarHBondContact O-CB 3.38Å; S142-D145 PolarHBondContact O-N 3.16Å; S142-Y146 WeakPolarHBondContact O-CD2 3.22Å
143F89.8Confident85.6Confident59 Ų5957.6 Ų57.626%0.25931%0.309SS..Hα-helixtrans-56.9-33.8172177.6-114000112.6L89 L92 K93 D145 Y146 V147L89-F143 HydrophobicContact CB-CZ 4.49Å; L89-F143 WeakPolarHBondContact O-CE2 3.43Å; L92-F143 HydrophobicContact CB-CE2 4.43Å; K93-F143 HydrophobicContact CB-CD2 3.77Å; K93-F143 HydrophobicContact CB-CE1 4.47Å; K93-F143 HydrophobicContact CB-CE2 3.71Å; K93-F143 HydrophobicContact CB-CG 4.2Å; K93-F143 HydrophobicContact CB-CZ 4.07Å; K93-F143 HydrophobicContact CG-CD1 4.45Å; K93-F143 HydrophobicContact CG-CD2 4.39Å; K93-F143 HydrophobicContact CG-CG 4.32Å; F143-D145 VanDerWaalsContact C-N 3.28Å; F143-D145 PolarHBondContact O-N 2.83Å; F143-Y146 PolarHBondContact O-N 3.49Å; F143-V147 HydrophobicContact CD1-CG2 4.04Å; F143-V147 HydrophobicContact CD2-CG2 4.49Å; F143-V147 HydrophobicContact CE1-CG2 3.48Å; F143-V147 VanDerWaalsContact CE1-CG2 3.48Å; F143-V147 HydrophobicContact CE2-CG2 3.97Å; F143-V147 HydrophobicContact CZ-CG2 3.44Å; F143-V147 VanDerWaalsContact CZ-CG2 3.44Å; F143-V147 PolarHBondContact O-N 3.39Å
144S88.4Confident86.9Confident60 Ų6056.9 Ų56.942%0.4231%0.307SS..Hα-helixtrans-60.8-36.6-179.7-174.60000112.6S142 Y146 V147 Q148S142-S144 PolarHBondContact O-N 2.94Å; S142-S144 PolarHBondContact OG-N 3.29Å; S144-Y146 VanDerWaalsContact C-N 3.3Å; S144-Y146 PolarHBondContact O-N 2.95Å; S144-V147 PolarHBondContact O-N 2.94Å; S144-Q148 WeakPolarHBondContact O-CB 3.45Å; S144-Q148 WeakPolarHBondContact O-CG 3.5Å; S144-Q148 PolarHBondContact O-N 3.08Å
145D90.3Very high88.3Confident14 Ų1453.9 Ų53.98%0.07530%0.296CS..Hα-helixtrans-62.8-39.7179.1-66.9-45.7000110.8S128 F129 W140 S142 F143 Q148 C149S128-D145 PolarHBondContact OG-OD1 2.9Å; F129-D145 HydrophobicContact CB-CB 3.82Å; F129-D145 WeakPolarHBondContact CB-OD1 3.38Å; F129-D145 PolarHBondContact N-OD1 2.87Å; F129-D145 VanDerWaalsContact N-OD1 3.17Å; W140-D145 HydrophobicContact CB-CB 3.69Å; W140-D145 HydrophobicContact CD2-CB 3.94Å; W140-D145 HydrophobicContact CE3-CB 4.03Å; W140-D145 HydrophobicContact CG-CB 3.8Å; S142-D145 WeakPolarHBondContact CB-OD2 3.28Å; S142-D145 WeakPolarHBondContact O-CB 3.38Å; S142-D145 PolarHBondContact O-N 3.16Å; F143-D145 VanDerWaalsContact C-N 3.28Å; F143-D145 PolarHBondContact O-N 2.83Å; D145-Q148 PolarHBondContact O-N 3.45Å; D145-C149 PolarHBondContact O-N 3.47Å
146Y91.9Very high89.6Confident2 Ų250.5 Ų50.51%0.00829%0.286CS..Hα-helixtrans-66.2-44.6175.7-62.7-87.2000112.3L92 T96 W138 W140 S142 F143 S144 Q148 C149 V150L92-Y146 HydrophobicContact CD1-CD1 3.92Å; L92-Y146 HydrophobicContact CD1-CE1 3.91Å; L92-Y146 HydrophobicContact CD1-CG 4.26Å; L92-Y146 VanDerWaalsContact CD2-CB 3.43Å; L92-Y146 HydrophobicContact CD2-CD1 3.59Å; L92-Y146 HydrophobicContact CD2-CD2 4.34Å; L92-Y146 HydrophobicContact CD2-CE1 4.42Å; L92-Y146 HydrophobicContact CD2-CG 3.53Å; L92-Y146 HydrophobicContact CG-CD1 4.08Å; L92-Y146 HydrophobicContact CG-CD2 4.33Å; L92-Y146 HydrophobicContact CG-CG 3.97Å; T96-Y146 HydrophobicContact CG2-CD2 3.98Å; T96-Y146 HydrophobicContact CG2-CE2 3.46Å; T96-Y146 VanDerWaalsContact CG2-CE2 3.46Å; W138-Y146 AromaticContact CD2-CD1 3.83Å; W138-Y146 HydrophobicContact CD2-CD1 3.83Å; W138-Y146 AromaticContact CD2-CE1 3.93Å; W138-Y146 HydrophobicContact CD2-CE1 3.93Å; W138-Y146 AromaticContact CE2-CD1 3.64Å; W138-Y146 AromaticContact CE2-CE1 3.9Å; W138-Y146 HydrophobicContact CE3-CD1 4.12Å; W138-Y146 HydrophobicContact CG-CD1 4.41Å; W138-Y146 HydrophobicContact CG-CE1 4.03Å; W138-Y146 HydrophobicContact CH2-CD1 4.14Å; W138-Y146 AromaticContact CZ2-CD1 3.84Å; W138-Y146 HydrophobicContact CZ2-CD1 3.84Å; W138-Y146 HydrophobicContact CZ3-CD1 4.26Å; W138-Y146 AromaticContact NE1-CE1 3.93Å; W138-Y146 PolarHBondContact O-OH 3.13Å; W140-Y146 HydrophobicContact CB-CD2 4.38Å; W140-Y146 HydrophobicContact CB-CE2 3.8Å; W140-Y146 HydrophobicContact CD2-CE1 4.46Å; W140-Y146 AromaticContact CE3-CD1 3.38Å; W140-Y146 HydrophobicContact CE3-CD1 3.38Å; W140-Y146 HydrophobicContact CE3-CD2 4.09Å; W140-Y146 AromaticContact CE3-CE1 3.65Å; W140-Y146 HydrophobicContact CE3-CE1 3.65Å; W140-Y146 HydrophobicContact CE3-CE2 4.3Å; W140-Y146 AromaticContact CE3-CG 3.64Å; W140-Y146 HydrophobicContact CE3-CG 3.64Å; W140-Y146 AromaticContact CZ3-CD1 3.68Å; W140-Y146 HydrophobicContact CZ3-CD1 3.68Å; W140-Y146 HydrophobicContact CZ3-CE1 4.21Å; W140-Y146 HydrophobicContact CZ3-CG 4.12Å; W140-Y146 PolarHBondContact N-OH 2.71Å; W140-Y146 WeakPolarHBondContact O-CE2 3.44Å; W140-Y146 PolarHBondContact O-OH 3.25Å; S142-Y146 WeakPolarHBondContact O-CD2 3.22Å; F143-Y146 PolarHBondContact O-N 3.49Å; S144-Y146 VanDerWaalsContact C-N 3.3Å; S144-Y146 PolarHBondContact O-N 2.95Å; Y146-Q148 VanDerWaalsContact C-N 3.33Å; Y146-Q148 PolarHBondContact O-N 2.87Å; Y146-C149 PolarHBondContact O-N 2.87Å; Y146-V150 VanDerWaalsContact O-CG2 3.26Å; Y146-V150 WeakPolarHBondContact O-CG2 3.5Å; Y146-V150 PolarHBondContact O-N 3.04Å
147V93.9Very high90.8Very high40 Ų4047.7 Ų47.724%0.24228%0.275CS..Hα-helixtrans-62.5-43.2178.3174.80000110.6F143 S144 C149 V150 L151F143-V147 HydrophobicContact CD1-CG2 4.04Å; F143-V147 HydrophobicContact CD2-CG2 4.49Å; F143-V147 HydrophobicContact CE1-CG2 3.48Å; F143-V147 VanDerWaalsContact CE1-CG2 3.48Å; F143-V147 HydrophobicContact CE2-CG2 3.97Å; F143-V147 HydrophobicContact CZ-CG2 3.44Å; F143-V147 VanDerWaalsContact CZ-CG2 3.44Å; F143-V147 PolarHBondContact O-N 3.39Å; S144-V147 PolarHBondContact O-N 2.94Å; V147-C149 PolarHBondContact O-N 3.37Å; V147-V150 PolarHBondContact O-N 2.94Å; V147-L151 HydrophobicContact CG1-CD1 3.87Å; V147-L151 HydrophobicContact CG1-CG 4.25Å; V147-L151 WeakPolarHBondContact O-CB 3.25Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.43Å; V147-L151 PolarHBondContact O-N 3.32Å
148Q92.8Very high91.5Very high93 Ų9344.1 Ų44.144%0.43527%0.265SS..Hα-helixtrans-60.2-45175.9-75.5175-13.500111.7S144 D145 Y146 V150 L151 A152S144-Q148 WeakPolarHBondContact O-CB 3.45Å; S144-Q148 WeakPolarHBondContact O-CG 3.5Å; S144-Q148 PolarHBondContact O-N 3.08Å; D145-Q148 PolarHBondContact O-N 3.45Å; Y146-Q148 VanDerWaalsContact C-N 3.33Å; Y146-Q148 PolarHBondContact O-N 2.87Å; Q148-V150 VanDerWaalsContact C-N 3.34Å; Q148-V150 PolarHBondContact O-N 2.91Å; Q148-L151 PolarHBondContact O-N 3.39Å; Q148-A152 VanDerWaalsContact O-CB 3.28Å; Q148-A152 WeakPolarHBondContact O-CB 3.48Å; Q148-A152 PolarHBondContact O-N 3.33Å
149C93Very high92.1Very high19 Ų1951 Ų5113%0.12829%0.293CS..Hα-helixtrans-59.6-44.9174.9-1750000112.2F129 W138 W140 D145 Y146 V147 A152 F153F129-C149 HydrophobicContact CD2-CB 3.84Å; F129-C149 HydrophobicContact CE2-CB 3.44Å; F129-C149 VanDerWaalsContact CE2-CB 3.44Å; F129-C149 HydrophobicContact CZ-CB 4.35Å; W138-C149 HydrophobicContact CZ3-CB 4.17Å; W140-C149 HydrophobicContact CH2-CB 3.47Å; W140-C149 VanDerWaalsContact CH2-CB 3.47Å; W140-C149 HydrophobicContact CZ3-CB 3.61Å; D145-C149 PolarHBondContact O-N 3.47Å; Y146-C149 PolarHBondContact O-N 2.87Å; V147-C149 PolarHBondContact O-N 3.37Å; C149-A152 PolarHBondContact O-N 3.46Å; C149-F153 WeakPolarHBondContact O-CB 3.38Å; C149-F153 PolarHBondContact O-N 3.42Å
150V95.4Very high92.8Very high15 Ų1551.2 Ų51.29%0.09130%0.295CS..Hα-helixtrans-64.3-43.2180170.70000111.1L58 I62 W138 Y146 V147 Q148 T154L58-V150 HydrophobicContact CD1-CG2 3.91Å; I62-V150 HydrophobicContact CD1-CG1 3.76Å; W138-V150 HydrophobicContact CH2-CG2 3.93Å; Y146-V150 VanDerWaalsContact O-CG2 3.26Å; Y146-V150 WeakPolarHBondContact O-CG2 3.5Å; Y146-V150 PolarHBondContact O-N 3.04Å; V147-V150 PolarHBondContact O-N 2.94Å; Q148-V150 VanDerWaalsContact C-N 3.34Å; Q148-V150 PolarHBondContact O-N 2.91Å; V150-T154 WeakPolarHBondContact O-CB 3.15Å; V150-T154 PolarHBondContact O-N 3.21Å; V150-T154 PolarHBondContact O-OG1 2.95Å
151L96.2Very high93.4Very high113 Ų11350.6 Ų50.659%0.59229%0.294SS*.Hα-helixtrans-65.8-43.4176.8-71.1174.8000111.5V147 Q148 T154 G155V147-L151 HydrophobicContact CG1-CD1 3.87Å; V147-L151 HydrophobicContact CG1-CG 4.25Å; V147-L151 WeakPolarHBondContact O-CB 3.25Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.43Å; V147-L151 PolarHBondContact O-N 3.32Å; Q148-L151 PolarHBondContact O-N 3.39Å; L151-T154 PolarHBondContact O-N 2.91Å; L151-G155 PolarHBondContact O-N 3.38Å
152A95.6Very high94.3Very high49 Ų4957.3 Ų57.341%0.40532%0.315SS..Hα-helixtrans-60.9-47.6176.100000111.3Q148 C149 T154 G155 V156Q148-A152 VanDerWaalsContact O-CB 3.28Å; Q148-A152 WeakPolarHBondContact O-CB 3.48Å; Q148-A152 PolarHBondContact O-N 3.33Å; C149-A152 PolarHBondContact O-N 3.46Å; A152-T154 PolarHBondContact O-N 2.94Å; A152-G155 PolarHBondContact O-N 3.48Å; A152-V156 WeakPolarHBondContact O-CG2 3.38Å; A152-V156 PolarHBondContact O-N 3.37Å
153F96.2Very high94.9Very high68 Ų6860 Ų6030%0.29833%0.325SS..Hα-helixtrans-58.9-46.5174.7174.5-100.8000111.7V59 I62 L63 C149 G155 V156 A157V59-F153 HydrophobicContact CB-CE1 4.37Å; V59-F153 HydrophobicContact CB-CZ 4.43Å; V59-F153 HydrophobicContact CG1-CE1 4.18Å; V59-F153 HydrophobicContact CG1-CZ 3.8Å; V59-F153 HydrophobicContact CG2-CE1 4.19Å; V59-F153 HydrophobicContact CG2-CZ 4.28Å; I62-F153 HydrophobicContact CB-CE1 4.15Å; I62-F153 HydrophobicContact CD1-CD1 4.09Å; I62-F153 HydrophobicContact CD1-CE1 4.42Å; I62-F153 HydrophobicContact CG2-CD1 4.1Å; I62-F153 HydrophobicContact CG2-CE1 3.86Å; L63-F153 HydrophobicContact CD1-CZ 4.48Å; L63-F153 HydrophobicContact CD2-CE1 4.35Å; L63-F153 HydrophobicContact CD2-CZ 3.83Å; L63-F153 HydrophobicContact CG-CE1 4.4Å; L63-F153 HydrophobicContact CG-CZ 4.06Å; C149-F153 WeakPolarHBondContact O-CB 3.38Å; C149-F153 PolarHBondContact O-N 3.42Å; F153-G155 VanDerWaalsContact C-N 3.35Å; F153-G155 PolarHBondContact O-N 3.16Å; F153-V156 PolarHBondContact O-N 2.88Å; F153-A157 HydrophobicContact CE1-CB 4.47Å; F153-A157 HydrophobicContact CE2-CB 4.47Å; F153-A157 HydrophobicContact CZ-CB 4.31Å; F153-A157 WeakPolarHBondContact O-CB 3.3Å; F153-A157 PolarHBondContact O-N 2.93Å
154T97.6Very high95.1Very high50 Ų5059.1 Ų59.131%0.30733%0.326SS..Hα-helixtrans-60.9-43.7178.5-56.40000111.5I62 V150 L151 A152 G158I62-T154 HydrophobicContact CG2-CG2 4.18Å; V150-T154 WeakPolarHBondContact O-CB 3.15Å; V150-T154 PolarHBondContact O-N 3.21Å; V150-T154 PolarHBondContact O-OG1 2.95Å; L151-T154 PolarHBondContact O-N 2.91Å; A152-T154 PolarHBondContact O-N 2.94Å; T154-G158 WeakPolarHBondContact O-CA 3.39Å; T154-G158 PolarHBondContact O-N 3.26Å
155G97.5Very high95.4Very high46 Ų4659.1 Ų59.147%0.47432%0.321SS..Hα-helixtrans-64.6-47.7178.300000112.4L151 A152 F153 G158 Y159L151-G155 PolarHBondContact O-N 3.38Å; A152-G155 PolarHBondContact O-N 3.48Å; F153-G155 VanDerWaalsContact C-N 3.35Å; F153-G155 PolarHBondContact O-N 3.16Å; G155-G158 PolarHBondContact O-N 3.4Å; G155-Y159 VanDerWaalsContact O-CB 3.28Å; G155-Y159 WeakPolarHBondContact O-CB 3.49Å; G155-Y159 PolarHBondContact O-N 3.15Å
156V97.4Very high95.6Very high91 Ų9165.8 Ų65.855%0.55236%0.357SS*.Hα-helixtrans-65.3-51.1178.7172.10000111.2A152 F153 G158 Y159 I160A152-V156 WeakPolarHBondContact O-CG2 3.38Å; A152-V156 PolarHBondContact O-N 3.37Å; F153-V156 PolarHBondContact O-N 2.88Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.28Å; V156-Y159 PolarHBondContact O-N 3.21Å; V156-I160 HydrophobicContact CG1-CD1 3.84Å; V156-I160 VanDerWaalsContact O-CG1 3.31Å; V156-I160 WeakPolarHBondContact O-CG1 3.37Å; V156-I160 PolarHBondContact O-N 2.77Å
157A96.9Very high95.8Very high12 Ų1268.4 Ų68.410%0.09938%0.375CS..Hα-helixtrans-62.8-39.217900000111.4L63 L66 F153 T161L63-A157 HydrophobicContact CD2-CB 4.4Å; L66-A157 HydrophobicContact CD1-CB 3.6Å; F153-A157 HydrophobicContact CE1-CB 4.47Å; F153-A157 HydrophobicContact CE2-CB 4.47Å; F153-A157 HydrophobicContact CZ-CB 4.31Å; F153-A157 WeakPolarHBondContact O-CB 3.3Å; F153-A157 PolarHBondContact O-N 2.93Å; A157-T161 VanDerWaalsContact O-CB 3.28Å; A157-T161 WeakPolarHBondContact O-CB 3.46Å; A157-T161 PolarHBondContact O-N 3.26Å; A157-T161 PolarHBondContact O-OG1 3.34Å
158G97.1Very high95.8Very high20 Ų2071.8 Ų71.821%0.20640%0.396CS..Hα-helixtrans-64.6-43.1175.400000112.7T154 G155 V156 T161 Y162T154-G158 WeakPolarHBondContact O-CA 3.39Å; T154-G158 PolarHBondContact O-N 3.26Å; G155-G158 PolarHBondContact O-N 3.4Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.28Å; G158-T161 PolarHBondContact O-N 2.93Å; G158-Y162 WeakPolarHBondContact O-CB 3.47Å; G158-Y162 PolarHBondContact O-N 2.73Å
159Y97.1Very high95.9Very high148 Ų14873.6 Ų73.658%0.5841%0.408SS*.Hα-helixtrans-63.2-47.1175.8-179.7-106.9000112.1G155 V156 T161 Y162 L163G155-Y159 VanDerWaalsContact O-CB 3.28Å; G155-Y159 WeakPolarHBondContact O-CB 3.49Å; G155-Y159 PolarHBondContact O-N 3.15Å; V156-Y159 PolarHBondContact O-N 3.21Å; Y159-T161 VanDerWaalsContact C-N 3.29Å; Y159-T161 PolarHBondContact O-N 3.23Å; Y159-Y162 PolarHBondContact O-N 3.01Å; Y159-L163 HydrophobicContact CD1-CD1 4.11Å; Y159-L163 HydrophobicContact CE1-CD1 3.5Å; Y159-L163 HydrophobicContact CE1-CG 4.33Å; Y159-L163 HydrophobicContact CE2-CD1 4.32Å; Y159-L163 HydrophobicContact CE2-CG 4.4Å; Y159-L163 WeakPolarHBondContact O-CG 3.32Å; Y159-L163 PolarHBondContact O-N 2.98Å
160I96.8Very high96Very high79 Ų7975.3 Ų75.341%0.40541%0.413SS..Hα-helixtrans-60.1-43.4175.6-66.4167.1000110.5V156 L163 S164 F170V156-I160 HydrophobicContact CG1-CD1 3.84Å; V156-I160 VanDerWaalsContact O-CG1 3.31Å; V156-I160 WeakPolarHBondContact O-CG1 3.37Å; V156-I160 PolarHBondContact O-N 2.77Å; I160-L163 PolarHBondContact O-N 3.43Å; I160-S164 VanDerWaalsContact O-CB 3.32Å; I160-S164 WeakPolarHBondContact O-CB 3.38Å; I160-S164 PolarHBondContact O-N 2.86Å; I160-S164 PolarHBondContact O-OG 3.37Å; I160-F170 HydrophobicContact CG2-CE2 3.95Å; I160-F170 HydrophobicContact CG2-CZ 3.99Å
161T96.1Very high96Very high7 Ų775 Ų754%0.04341%0.411CS..Hα-helixtrans-62.4-44.6177.9-59.90000111.3L66 A157 G158 Y159 L163 S164 I165 F170 L174L66-T161 HydrophobicContact CB-CG2 4.28Å; A157-T161 VanDerWaalsContact O-CB 3.28Å; A157-T161 WeakPolarHBondContact O-CB 3.46Å; A157-T161 PolarHBondContact O-N 3.26Å; A157-T161 PolarHBondContact O-OG1 3.34Å; G158-T161 PolarHBondContact O-N 2.93Å; Y159-T161 VanDerWaalsContact C-N 3.29Å; Y159-T161 PolarHBondContact O-N 3.23Å; T161-L163 PolarHBondContact O-N 3.42Å; T161-S164 CarbonylContact O-C 3.34Å; T161-S164 PolarHBondContact O-N 3.3Å; T161-I165 WeakPolarHBondContact O-CA 3.19Å; T161-I165 WeakPolarHBondContact O-CB 3.13Å; T161-I165 PolarHBondContact O-N 2.92Å; T161-F170 HydrophobicContact CG2-CE1 4.15Å; T161-L174 HydrophobicContact CG2-CD2 4Å
162Y95.8Very high96Very high174 Ų17472.5 Ų72.568%0.68240%0.397SS*.Hα-helixtrans-59.3-45.6178174.8-102.7000112.1G158 Y159 S164G158-Y162 WeakPolarHBondContact O-CB 3.47Å; G158-Y162 PolarHBondContact O-N 2.73Å; Y159-Y162 PolarHBondContact O-N 3.01Å; Y162-S164 VanDerWaalsContact C-N 3.27Å; Y162-S164 PolarHBondContact O-N 2.86Å
163L96.6Very high96Very high102 Ų10273.3 Ų73.353%0.53440%0.397SS..Hα-helixtrans-66.8-28.1177.4-67-179.3000113.4Y159 I160 T161Y159-L163 HydrophobicContact CD1-CD1 4.11Å; Y159-L163 HydrophobicContact CE1-CD1 3.5Å; Y159-L163 HydrophobicContact CE1-CG 4.33Å; Y159-L163 HydrophobicContact CE2-CD1 4.32Å; Y159-L163 HydrophobicContact CE2-CG 4.4Å; Y159-L163 WeakPolarHBondContact O-CG 3.32Å; Y159-L163 PolarHBondContact O-N 2.98Å; I160-L163 PolarHBondContact O-N 3.43Å; T161-L163 PolarHBondContact O-N 3.42Å
164S95.5Very high96Very high39 Ų3970.8 Ų70.827%0.27339%0.386SS..THydrogen-bonded Turntrans-109.510.7-171.1-48.10000113.3I160 T161 Y162 D166 S167I160-S164 VanDerWaalsContact O-CB 3.32Å; I160-S164 WeakPolarHBondContact O-CB 3.38Å; I160-S164 PolarHBondContact O-N 2.86Å; I160-S164 PolarHBondContact O-OG 3.37Å; T161-S164 CarbonylContact O-C 3.34Å; T161-S164 PolarHBondContact O-N 3.3Å; Y162-S164 VanDerWaalsContact C-N 3.27Å; Y162-S164 PolarHBondContact O-N 2.86Å; S164-D166 VanDerWaalsContact C-N 3.3Å; S164-D166 PolarHBondContact O-N 3.34Å; S164-S167 WeakPolarHBondContact O-CB 3.5Å; S164-S167 PolarHBondContact O-N 2.87Å; S164-S167 VanDerWaalsContact O-N 3.1Å
165I94.8Very high95.9Very high60 Ų6068.4 Ų68.431%0.30837%0.372SS..THydrogen-bonded Turntrans-67.1-29.9-169.5-161.1162000113.2F69 T161 S167 V171F69-I165 HydrophobicContact CB-CD1 4.37Å; T161-I165 WeakPolarHBondContact O-CA 3.19Å; T161-I165 WeakPolarHBondContact O-CB 3.13Å; T161-I165 PolarHBondContact O-N 2.92Å; I165-S167 PolarHBondContact O-N 2.89Å; I165-V171 WeakPolarHBondContact O-CG2 3.45Å
166D94Very high95.8Very high155 Ų15570.2 Ų70.283%0.82937%0.367SS*.THydrogen-bonded Turntrans-72-17.1177.7-63.8-45.1000112.5S164 T168S164-D166 VanDerWaalsContact C-N 3.3Å; S164-D166 PolarHBondContact O-N 3.34Å; D166-T168 PolarHBondContact O-N 3.37Å
167S95.3Very high95.7Very high57 Ų5769.9 Ų69.940%0.39936%0.361SS..  trans-84108.6178.1-178.40000111S164 I165 L169 F170 V171S164-S167 WeakPolarHBondContact O-CB 3.5Å; S164-S167 PolarHBondContact O-N 2.87Å; S164-S167 VanDerWaalsContact O-N 3.1Å; I165-S167 PolarHBondContact O-N 2.89Å; S167-L169 VanDerWaalsContact C-N 3.29Å; S167-L169 PolarHBondContact O-N 2.83Å; S167-F170 WeakPolarHBondContact O-CB 3.5Å; S167-F170 PolarHBondContact O-N 3.09Å; S167-F170 VanDerWaalsContact O-N 3.14Å; S167-V171 PolarHBondContact O-N 3.49Å
168T93.8Very high95.7Very high111 Ų11169.3 Ų69.368%0.68136%0.357SS*.Hα-helixtrans-58-41.1176.254.30000112.1D166 F170 V171 E172D166-T168 PolarHBondContact O-N 3.37Å; T168-F170 VanDerWaalsContact C-N 3.3Å; T168-F170 PolarHBondContact O-N 2.88Å; T168-V171 PolarHBondContact O-N 2.85Å; T168-E172 WeakPolarHBondContact O-CB 3.42Å; T168-E172 VanDerWaalsContact O-CG 3.22Å; T168-E172 WeakPolarHBondContact O-CG 3.32Å; T168-E172 PolarHBondContact O-N 3.34Å
169L95.4Very high95.6Very high131 Ų13168.3 Ų68.369%0.68635%0.347SS*.Hα-helixtrans-59.1-43.4177.4-178.167.7000111.4S167 T173S167-L169 VanDerWaalsContact C-N 3.29Å; S167-L169 PolarHBondContact O-N 2.83Å; L169-T173 VanDerWaalsContact O-CB 3.27Å; L169-T173 WeakPolarHBondContact O-CB 3.33Å; L169-T173 PolarHBondContact O-N 3.49Å; L169-T173 PolarHBondContact O-OG1 3.38Å
170F96.1Very high95.5Very high54 Ų5463.5 Ų63.524%0.23733%0.331CS..Hα-helixtrans-64.3-50.1178174.6-92.8000111.1I160 T161 S167 T168 E172 T173 L174I160-F170 HydrophobicContact CG2-CE2 3.95Å; I160-F170 HydrophobicContact CG2-CZ 3.99Å; T161-F170 HydrophobicContact CG2-CE1 4.15Å; S167-F170 WeakPolarHBondContact O-CB 3.5Å; S167-F170 PolarHBondContact O-N 3.09Å; S167-F170 VanDerWaalsContact O-N 3.14Å; T168-F170 VanDerWaalsContact C-N 3.3Å; T168-F170 PolarHBondContact O-N 2.88Å; F170-E172 PolarHBondContact O-N 2.88Å; F170-T173 PolarHBondContact O-N 3.43Å; F170-L174 HydrophobicContact CE1-CB 4.46Å; F170-L174 HydrophobicContact CE1-CD2 4.09Å; F170-L174 HydrophobicContact CZ-CD1 4.49Å; F170-L174 VanDerWaalsContact O-CB 3.31Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 PolarHBondContact O-N 3.35Å
171V95.5Very high95.4Very high8 Ų861.6 Ų61.65%0.04832%0.323CS..Hα-helixtrans-60.5-44.8-178.6173.30000111.5F67 R71 I165 S167 T168 L174 G175F67-V171 HydrophobicContact CD2-CG1 3.82Å; F67-V171 WeakPolarHBondContact CD2-O 3.43Å; F67-V171 HydrophobicContact CE2-CG1 3.85Å; F67-V171 WeakPolarHBondContact CE2-O 3.46Å; R71-V171 HydrophobicContact CB-CG1 4.09Å; I165-V171 WeakPolarHBondContact O-CG2 3.45Å; S167-V171 PolarHBondContact O-N 3.49Å; T168-V171 PolarHBondContact O-N 2.85Å; V171-L174 PolarHBondContact O-N 2.83Å; V171-G175 PolarHBondContact O-N 3.43Å
172E94.7Very high95.3Very high61 Ų6161.7 Ų61.729%0.28532%0.323SS..Hα-helixtrans-67.9-36.6179.1-63.6-69133.300111.8R71 T168 F170 F176 Q229R71-E172 VanDerWaalsContact CD-OE1 3.32Å; R71-E172 WeakPolarHBondContact CD-OE1 3.32Å; R71-E172 IonicContact CZ-OE1 2.9Å; R71-E172 IonicContact NE-OE1 3.35Å; R71-E172 IonicContact NH1-OE1 3.61Å; R71-E172 PolarHBondContact NH1-OE1 3.3Å; R71-E172 IonicContact NH1-OE2 2.77Å; T168-E172 WeakPolarHBondContact O-CB 3.42Å; T168-E172 VanDerWaalsContact O-CG 3.22Å; T168-E172 WeakPolarHBondContact O-CG 3.32Å; T168-E172 PolarHBondContact O-N 3.34Å; F170-E172 PolarHBondContact O-N 2.88Å; E172-F176 WeakPolarHBondContact O-CB 3.5Å; E172-F176 PolarHBondContact O-N 3.25Å; E172-Q229 PolarHBondContact O-NE2 2.87Å; E172-Q229 PolarHBondContact OE2-NE2 3.34Å
173T95.4Very high95.2Very high66 Ų6653.5 Ų53.541%0.40529%0.291SS..Hα-helixtrans-67.9-42.4175-57.80000111.4L169 F170 G175 F176 L177L169-T173 VanDerWaalsContact O-CB 3.27Å; L169-T173 WeakPolarHBondContact O-CB 3.33Å; L169-T173 PolarHBondContact O-N 3.49Å; L169-T173 PolarHBondContact O-OG1 3.38Å; F170-T173 PolarHBondContact O-N 3.43Å; T173-G175 PolarHBondContact O-N 3.38Å; T173-F176 PolarHBondContact O-N 2.97Å; T173-L177 HydrophobicContact CG2-CD1 4.06Å; T173-L177 HydrophobicContact CG2-CG 4.33Å; T173-L177 WeakPolarHBondContact O-CB 3.26Å; T173-L177 WeakPolarHBondContact O-CG 3.23Å; T173-L177 PolarHBondContact O-N 3.47Å
174L96.5Very high95Very high15 Ų1552.8 Ų52.88%0.07929%0.286CS..Hα-helixtrans-58.8-47.6175.7-178.672000110.9L63 L66 F67 T161 F170 V171 L177 A178L63-L174 HydrophobicContact CB-CD1 4.46Å; L63-L174 HydrophobicContact CD2-CD1 3.71Å; L66-L174 HydrophobicContact CB-CD2 4Å; F67-L174 HydrophobicContact CB-CD2 4.31Å; F67-L174 HydrophobicContact CB-CG 4.41Å; T161-L174 HydrophobicContact CG2-CD2 4Å; F170-L174 HydrophobicContact CE1-CB 4.46Å; F170-L174 HydrophobicContact CE1-CD2 4.09Å; F170-L174 HydrophobicContact CZ-CD1 4.49Å; F170-L174 VanDerWaalsContact O-CB 3.31Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 PolarHBondContact O-N 3.35Å; V171-L174 PolarHBondContact O-N 2.83Å; L174-L177 PolarHBondContact O-N 3.32Å; L174-A178 WeakPolarHBondContact O-CB 3.26Å; L174-A178 PolarHBondContact O-N 3.26Å
175G95Very high94.8Very high0 Ų053.4 Ų53.40%029%0.286CS..Hα-helixtrans-60.9-44.4175.400000112.4V171 T173 A178 V179V171-G175 PolarHBondContact O-N 3.43Å; T173-G175 PolarHBondContact O-N 3.38Å; G175-A178 PolarHBondContact O-N 3.08Å; G175-V179 WeakPolarHBondContact O-CG2 2.9Å; G175-V179 PolarHBondContact O-N 3.49Å; G175-V179 VanDerWaalsContact O-N 3.15Å
176F95.5Very high94.5Very high85 Ų8551 Ų5137%0.37328%0.276SS..Hα-helixtrans-62.2-47.6176.9-176.1-103.8000111.8E172 T173 A178 V179 L180 Q229E172-F176 WeakPolarHBondContact O-CB 3.5Å; E172-F176 PolarHBondContact O-N 3.25Å; T173-F176 PolarHBondContact O-N 2.97Å; F176-A178 VanDerWaalsContact C-N 3.31Å; F176-A178 PolarHBondContact O-N 3.42Å; F176-V179 PolarHBondContact O-N 3.05Å; F176-L180 HydrophobicContact CD1-CD2 4.35Å; F176-L180 HydrophobicContact CE1-CB 4.46Å; F176-L180 HydrophobicContact CE1-CD2 3.7Å; F176-L180 HydrophobicContact CZ-CD2 4.19Å; F176-L180 WeakPolarHBondContact O-CB 3.45Å; F176-L180 PolarHBondContact O-N 3.33Å; F176-Q229 HydrophobicContact CB-CG 3.91Å; F176-Q229 HydrophobicContact CD2-CB 4.47Å; F176-Q229 HydrophobicContact CD2-CG 4.19Å
177L96.3Very high94.3Very high83 Ų8345.6 Ų45.644%0.43525%0.248SC..Hα-helixtrans-60.3-40.5176.6-72.7174000112T173 L174 T181T173-L177 HydrophobicContact CG2-CD1 4.06Å; T173-L177 HydrophobicContact CG2-CG 4.33Å; T173-L177 WeakPolarHBondContact O-CB 3.26Å; T173-L177 WeakPolarHBondContact O-CG 3.23Å; T173-L177 PolarHBondContact O-N 3.47Å; L174-L177 PolarHBondContact O-N 3.32Å; L177-T181 VanDerWaalsContact O-CB 3.25Å; L177-T181 WeakPolarHBondContact O-CB 3.31Å; L177-T181 PolarHBondContact O-N 2.7Å; L177-T181 PolarHBondContact O-OG1 2.92Å
178A96Very high94.1Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-60.2-49.6178.800000112.2A60 L63 R64 L174 G175 F176 E182A60-A178 WeakPolarHBondContact CB-O 3.36Å; L63-A178 HydrophobicContact CB-CB 3.62Å; R64-A178 HydrophobicContact CB-CB 4.11Å; L174-A178 WeakPolarHBondContact O-CB 3.26Å; L174-A178 PolarHBondContact O-N 3.26Å; G175-A178 PolarHBondContact O-N 3.08Å; F176-A178 VanDerWaalsContact C-N 3.31Å; F176-A178 PolarHBondContact O-N 3.42Å; A178-E182 PolarHBondContact O-N 3.44Å
179V94.8Very high93.8Very high0 Ų043.5 Ų43.50%023%0.232CC..Hα-helixtrans-79.5-32.3-177.6-163.90000111.5G175 F176 E182 A183 F230 C233G175-V179 WeakPolarHBondContact O-CG2 2.9Å; G175-V179 PolarHBondContact O-N 3.49Å; G175-V179 VanDerWaalsContact O-N 3.15Å; F176-V179 PolarHBondContact O-N 3.05Å; V179-E182 PolarHBondContact O-N 2.94Å; V179-A183 WeakPolarHBondContact O-CB 3.5Å; V179-A183 PolarHBondContact O-N 2.89Å; V179-F230 HydrophobicContact CG1-CD1 4.22Å; V179-F230 HydrophobicContact CG2-CD1 3.8Å; V179-F230 HydrophobicContact CG2-CE1 3.68Å; V179-F230 HydrophobicContact CG2-CG 4.35Å; V179-F230 HydrophobicContact CG2-CZ 4.16Å; V179-C233 HydrophobicContact CB-CB 4.01Å; V179-C233 HydrophobicContact CG1-CB 3.44Å; V179-C233 VanDerWaalsContact CG1-CB 3.44Å
180L96Very high93.6Very high47 Ų4739.2 Ų39.225%0.24621%0.21CC..Hα-helixtrans-64.3-42.5173.7-178.965.9000111.5F176 E182 A183 M184 L236F176-L180 HydrophobicContact CD1-CD2 4.35Å; F176-L180 HydrophobicContact CE1-CB 4.46Å; F176-L180 HydrophobicContact CE1-CD2 3.7Å; F176-L180 HydrophobicContact CZ-CD2 4.19Å; F176-L180 WeakPolarHBondContact O-CB 3.45Å; F176-L180 PolarHBondContact O-N 3.33Å; L180-E182 PolarHBondContact O-N 3.48Å; L180-A183 PolarHBondContact O-N 3.18Å; L180-M184 HydrophobicContact CD1-CG 4.21Å; L180-M184 HydrophobicContact CD1-SD 4.45Å; L180-M184 HydrophobicContact CG-CG 4.31Å; L180-M184 VanDerWaalsContact O-CG 3.26Å; L180-M184 WeakPolarHBondContact O-CG 3.43Å; L180-M184 PolarHBondContact O-N 3.24Å; L180-L236 HydrophobicContact CD1-CD2 4.09Å
181T95.3Very high93.3Very high39 Ų3943.8 Ų43.824%0.23923%0.227CC..Hα-helixtrans-59-39.5177.2-59.80000111.1V56 V59 A60 L177V56-T181 HydrophobicContact CG1-CG2 3.67Å; V56-T181 WeakPolarHBondContact CG1-O 3.33Å; V59-T181 HydrophobicContact CG1-CG2 4.5Å; A60-T181 HydrophobicContact CB-CG2 3.98Å; L177-T181 VanDerWaalsContact O-CB 3.25Å; L177-T181 WeakPolarHBondContact O-CB 3.31Å; L177-T181 PolarHBondContact O-N 2.7Å; L177-T181 PolarHBondContact O-OG1 2.92Å
182E93.9Very high92.9Very high9 Ų948.6 Ų48.64%0.04224%0.244CC..Hα-helixtrans-66.6-43.3171.6-173.6177.9-131.500111.6L57 A60 R64 A178 V179 L180 M184 L185 K217L57-E182 HydrophobicContact CD2-CG 4.48Å; A60-E182 HydrophobicContact CB-CB 4.09Å; R64-E182 IonicContact CZ-OE1 2.74Å; R64-E182 IonicContact CZ-OE2 3.9Å; R64-E182 IonicContact NH1-OE1 3.43Å; R64-E182 PolarHBondContact NH1-OE1 3.37Å; R64-E182 IonicContact NH1-OE2 3.53Å; R64-E182 IonicContact NH2-OE1 3.69Å; R64-E182 PolarHBondContact NH2-OE1 3.14Å; R64-E182 IonicContact NH2-OE2 3.73Å; R64-E182 PolarHBondContact NH2-OE2 3.33Å; A178-E182 PolarHBondContact O-N 3.44Å; V179-E182 PolarHBondContact O-N 2.94Å; L180-E182 PolarHBondContact O-N 3.48Å; E182-M184 PolarHBondContact O-N 3.35Å; E182-L185 HydrophobicContact CG-CD1 4.28Å; E182-L185 WeakPolarHBondContact O-CB 3.33Å; E182-L185 WeakPolarHBondContact O-CD1 3.47Å; E182-L185 VanDerWaalsContact O-CG 3.25Å; E182-L185 WeakPolarHBondContact O-CG 3.43Å; E182-L185 PolarHBondContact O-N 2.94Å; E182-K217 IonicContact OE1-NZ 2.74Å; E182-K217 PolarHBondContact OE1-NZ 2.97Å; E182-K217 IonicContact OE2-NZ 3.35Å; E182-K217 PolarHBondContact OE2-NZ 2.97Å
183A93.2Very high92.7Very high2 Ų245.8 Ų45.82%0.01723%0.231CC..Hα-helixtrans-63.9-28.4-177.600000113.9V179 L180 L185 C233 L236 Q237V179-A183 WeakPolarHBondContact O-CB 3.5Å; V179-A183 PolarHBondContact O-N 2.89Å; L180-A183 PolarHBondContact O-N 3.18Å; A183-L185 PolarHBondContact O-N 3.31Å; A183-C233 HydrophobicContact CB-CB 4.08Å; A183-L236 HydrophobicContact CB-CD2 4.27Å; A183-Q237 VanDerWaalsContact CA-CG 3.45Å; A183-Q237 HydrophobicContact CB-CG 3.61Å
184M92.6Very high92.3Very high86 Ų8648.2 Ų48.242%0.42424%0.237SC..G310 helixtrans-77.4-3.9-179.6-67.5-62.4-68.700114L180 E182 G186 V187 P188L180-M184 HydrophobicContact CD1-CG 4.21Å; L180-M184 HydrophobicContact CD1-SD 4.45Å; L180-M184 HydrophobicContact CG-CG 4.31Å; L180-M184 VanDerWaalsContact O-CG 3.26Å; L180-M184 WeakPolarHBondContact O-CG 3.43Å; L180-M184 PolarHBondContact O-N 3.24Å; E182-M184 PolarHBondContact O-N 3.35Å; M184-G186 VanDerWaalsContact C-N 3.29Å; M184-G186 PolarHBondContact O-N 2.94Å; M184-V187 HydrophobicContact CE-CB 4.02Å; M184-V187 HydrophobicContact CE-CG1 4Å; M184-V187 HydrophobicContact CE-CG2 3.82Å; M184-V187 PolarHBondContact O-N 3.21Å; M184-V187 VanDerWaalsContact O-N 3.14Å; M184-V187 HydrophobicContact SD-CG2 3.82Å; M184-P188 WeakPolarHBondContact O-CD 3.42Å
185L90.1Very high92Very high52 Ų5255.7 Ų55.727%0.27226%0.264SS..G310 helixtrans-58.7-35.6-178.2-76.2169000114V53 V56 L57 E182 A183V53-L185 HydrophobicContact CG1-CD2 4.38Å; V56-L185 HydrophobicContact CB-CD2 3.84Å; V56-L185 HydrophobicContact CG1-CD2 3.47Å; V56-L185 VanDerWaalsContact CG1-CD2 3.47Å; V56-L185 HydrophobicContact CG1-CG 4.05Å; L57-L185 HydrophobicContact CD1-CD1 4.23Å; L57-L185 HydrophobicContact CD2-CD1 3.4Å; L57-L185 VanDerWaalsContact CD2-CD1 3.4Å; L57-L185 HydrophobicContact CG-CD1 3.7Å; L57-L185 HydrophobicContact CG-CD2 4.35Å; E182-L185 HydrophobicContact CG-CD1 4.28Å; E182-L185 WeakPolarHBondContact O-CB 3.33Å; E182-L185 WeakPolarHBondContact O-CD1 3.47Å; E182-L185 VanDerWaalsContact O-CG 3.25Å; E182-L185 WeakPolarHBondContact O-CG 3.43Å; E182-L185 PolarHBondContact O-N 2.94Å; A183-L185 PolarHBondContact O-N 3.31Å
186G88.3Confident91.6Very high9 Ų960.9 Ų60.99%0.09329%0.288CS..G310 helixtrans-78.4-20.7179.200000114.1M184 Q189 L190 I244M184-G186 VanDerWaalsContact C-N 3.29Å; M184-G186 PolarHBondContact O-N 2.94Å; G186-Q189 PolarHBondContact O-N 3.19Å; G186-Q189 VanDerWaalsContact O-N 3.15Å; G186-L190 PolarHBondContact O-N 3.42Å; G186-I244 WeakPolarHBondContact O-CD1 3.35Å
187V91.6Very high91.1Very high42 Ų4260.6 Ų60.626%0.25529%0.288SS..Hα-helixtrans-64.5-42.1-171.4177.20000113.4M184 Q189 L190 Y191 V240M184-V187 HydrophobicContact CE-CB 4.02Å; M184-V187 HydrophobicContact CE-CG1 4Å; M184-V187 HydrophobicContact CE-CG2 3.82Å; M184-V187 PolarHBondContact O-N 3.21Å; M184-V187 VanDerWaalsContact O-N 3.14Å; M184-V187 HydrophobicContact SD-CG2 3.82Å; V187-Q189 PolarHBondContact O-N 3.34Å; V187-L190 WeakPolarHBondContact O-CB 3.45Å; V187-L190 PolarHBondContact O-N 3.26Å; V187-Y191 WeakPolarHBondContact O-CB 3.36Å; V187-Y191 PolarHBondContact O-N 2.86Å; V187-V240 HydrophobicContact CG2-CG1 4.25Å; V187-V240 HydrophobicContact CG2-CG2 4Å
188P89.3Confident90.4Very high87 Ų8758.7 Ų58.757%0.56528%0.282SS*.Hα-helixtrans-57.8-37.1174.6-26.935.2000113.1M184 Y191 R192M184-P188 WeakPolarHBondContact O-CD 3.42Å; P188-Y191 PolarHBondContact O-N 3.36Å; P188-R192 WeakPolarHBondContact O-CB 3.43Å; P188-R192 PolarHBondContact O-N 3.41Å
189Q88.4Confident89.7Confident38 Ų3860 Ų6018%0.17829%0.29CS..Hα-helixtrans-70-42.8177.5-175.359.624.800111G186 V187 Y191 R192 N193 M202 I244G186-Q189 PolarHBondContact O-N 3.19Å; G186-Q189 VanDerWaalsContact O-N 3.15Å; V187-Q189 PolarHBondContact O-N 3.34Å; Q189-Y191 VanDerWaalsContact C-N 3.32Å; Q189-Y191 PolarHBondContact O-N 3.46Å; Q189-R192 PolarHBondContact O-N 3.01Å; Q189-N193 PolarHBondContact NE2-OD1 3.32Å; Q189-N193 WeakPolarHBondContact O-CB 3.43Å; Q189-N193 VanDerWaalsContact O-CG 3.22Å; Q189-N193 PolarHBondContact O-N 2.9Å; Q189-N193 PolarHBondContact O-OD1 2.82Å; Q189-M202 HydrophobicContact CG-SD 3.84Å; Q189-M202 PolarHBondContact NE2-SD 2.83Å; Q189-I244 HydrophobicContact CB-CD1 4.33Å; Q189-I244 HydrophobicContact CG-CD1 4.45Å
190L90.9Very high88.7Confident41 Ų4168 Ų6822%0.21533%0.327CS..Hα-helixtrans-57.2-44.7173.1-178.171.3000112G186 V187 H194 A243 I244 Q247G186-L190 PolarHBondContact O-N 3.42Å; V187-L190 WeakPolarHBondContact O-CB 3.45Å; V187-L190 PolarHBondContact O-N 3.26Å; L190-H194 WeakPolarHBondContact O-CB 3.16Å; L190-H194 PolarHBondContact O-N 3.14Å; L190-H194 VanDerWaalsContact O-N 3.08Å; L190-A243 HydrophobicContact CD1-CB 3.62Å; L190-A243 HydrophobicContact CD2-CB 4.33Å; L190-I244 HydrophobicContact CB-CD1 4.39Å; L190-I244 HydrophobicContact CB-CG1 3.88Å; L190-I244 HydrophobicContact CD1-CG1 3.89Å; L190-Q247 HydrophobicContact CD1-CG 4.43Å; L190-Q247 PolarHBondContact O-NE2 2.95Å; L190-Q247 PolarHBondContact O-OE1 2.96Å
191Y90.6Very high87.4Confident150 Ų15069.5 Ų69.559%0.58835%0.354SS*.Hα-helixtrans-65.8-44.7177.8177.5-99.7000111.9V187 P188 Q189 H194 R195V187-Y191 WeakPolarHBondContact O-CB 3.36Å; V187-Y191 PolarHBondContact O-N 2.86Å; P188-Y191 PolarHBondContact O-N 3.36Å; Q189-Y191 VanDerWaalsContact C-N 3.32Å; Q189-Y191 PolarHBondContact O-N 3.46Å; Y191-H194 PolarHBondContact O-N 2.97Å; Y191-R195 WeakPolarHBondContact O-CB 3.43Å; Y191-R195 PolarHBondContact O-N 3.28Å
192R87.1Confident86.7Confident109 Ų10969 Ų6941%0.41135%0.35SS..Hα-helixtrans-61.7-46.4179.5-169.1171.969.6110.5-3.6111.3P188 Q189 H194 R195 H196P188-R192 WeakPolarHBondContact O-CB 3.43Å; P188-R192 PolarHBondContact O-N 3.41Å; Q189-R192 PolarHBondContact O-N 3.01Å; R192-H194 VanDerWaalsContact C-N 3.31Å; R192-H194 PolarHBondContact O-N 2.83Å; R192-R195 PolarHBondContact O-N 2.96Å; R192-H196 WeakPolarHBondContact O-CB 3.45Å; R192-H196 PolarHBondContact O-CD2 2.96Å; R192-H196 VanDerWaalsContact O-CD2 3.24Å; R192-H196 PolarHBondContact O-N 2.99Å
193N89.7Confident86.1Confident2 Ų271.8 Ų71.81%0.01137%0.37CS..Hα-helixtrans-57.7-44.7174.9-72.7-3.4000111.4Q189 Q197 M202 Q247 F251Q189-N193 PolarHBondContact NE2-OD1 3.32Å; Q189-N193 WeakPolarHBondContact O-CB 3.43Å; Q189-N193 VanDerWaalsContact O-CG 3.22Å; Q189-N193 PolarHBondContact O-N 2.9Å; Q189-N193 PolarHBondContact O-OD1 2.82Å; N193-Q197 WeakPolarHBondContact O-CA 3.17Å; N193-Q197 PolarHBondContact O-N 2.89Å; N193-M202 PolarHBondContact ND2-SD 3.47Å; N193-Q247 PolarHBondContact ND2-OE1 3Å; N193-F251 HydrophobicContact CB-CE2 4.41Å; N193-F251 WeakPolarHBondContact O-CE2 3.48Å
194H88.5Confident85.6Confident116 Ų11675.6 Ų75.654%0.53739%0.389SS..Hα-helixtrans-64.5-43.4176.8-175.4-96.8000112.5L190 Y191 R192 Q197L190-H194 WeakPolarHBondContact O-CB 3.16Å; L190-H194 PolarHBondContact O-N 3.14Å; L190-H194 VanDerWaalsContact O-N 3.08Å; Y191-H194 PolarHBondContact O-N 2.97Å; R192-H194 VanDerWaalsContact C-N 3.31Å; R192-H194 PolarHBondContact O-N 2.83Å; H194-Q197 PolarHBondContact O-NE2 3.45Å
195R89.3Confident85.1Confident172 Ų17279.9 Ų79.965%0.64941%0.406SS*.Hα-helixtrans-66.7-44.8-179.3-171.4-164.3-177.2-166.54.8112Y191 R192Y191-R195 WeakPolarHBondContact O-CB 3.43Å; Y191-R195 PolarHBondContact O-N 3.28Å; R192-R195 PolarHBondContact O-N 2.96Å
196H85.7Confident84.7Confident110 Ų11080 Ų8051%0.50941%0.406SS..Hα-helixtrans-86.8-8.5-175.5-69.4-79000113.2R192 S198R192-H196 WeakPolarHBondContact O-CB 3.45Å; R192-H196 PolarHBondContact O-CD2 2.96Å; R192-H196 VanDerWaalsContact O-CD2 3.24Å; R192-H196 PolarHBondContact O-N 2.99Å; H196-S198 PolarHBondContact O-N 2.88Å
197Q85.5Confident84.6Confident78 Ų7879.7 Ų79.736%0.36440%0.402SS..THydrogen-bonded Turntrans50.231.4-176.9-62.6-73.1-58.800112.4N193 H194 F251N193-Q197 WeakPolarHBondContact O-CA 3.17Å; N193-Q197 PolarHBondContact O-N 2.89Å; H194-Q197 PolarHBondContact O-NE2 3.45Å; Q197-F251 HydrophobicContact CB-CE1 4.47Å; Q197-F251 HydrophobicContact CB-CZ 4.43Å
198S81.1Confident84.5Confident44 Ų4482.2 Ų82.231%0.30841%0.413SS..  trans-149.8143.3-176.1176.60000109H196 E200H196-S198 PolarHBondContact O-N 2.88Å; S198-E200 VanDerWaalsContact OG-CB 3.29Å; S198-E200 WeakPolarHBondContact OG-CB 3.19Å; S198-E200 PolarHBondContact OG-N 2.95Å; S198-E200 VanDerWaalsContact OG-N 3.11Å
199T81.8Confident84.3Confident28 Ų2883 Ų8317%0.17241%0.41CS..  trans-103.920.6170.956.30000112.2G201 M202 A248 F251T199-G201 PolarHBondContact O-N 3.24Å; T199-M202 HydrophobicContact CG2-CE 3.91Å; T199-M202 WeakPolarHBondContact O-CB 3.32Å; T199-M202 PolarHBondContact O-N 3.41Å; T199-M202 VanDerWaalsContact O-N 3.1Å; T199-A248 HydrophobicContact CG2-CB 3.94Å; T199-F251 HydrophobicContact CG2-CD2 3.85Å; T199-F251 HydrophobicContact CG2-CE2 4.49Å
200E74Confident84.3Confident167 Ų16784.6 Ų84.678%0.7842%0.415SS*.THydrogen-bonded Turntrans-61.8130.6178.3-165.9173.5-175.900111S198S198-E200 VanDerWaalsContact OG-CB 3.29Å; S198-E200 WeakPolarHBondContact OG-CB 3.19Å; S198-E200 PolarHBondContact OG-N 2.95Å; S198-E200 VanDerWaalsContact OG-N 3.11Å
201G68.9Low84.3Confident79 Ų7983.5 Ų83.581%0.81441%0.41SS*.THydrogen-bonded Turntrans83.22-173.900000115.5T199T199-G201 PolarHBondContact O-N 3.24Å
202M80.4Confident84.3Confident28 Ų2880.2 Ų80.214%0.13841%0.409CS..  trans-98.2127.5173.3-169.5-18077.400111.6Q189 N193 T199 I204 V207 I244 A248Q189-M202 HydrophobicContact CG-SD 3.84Å; Q189-M202 PolarHBondContact NE2-SD 2.83Å; N193-M202 PolarHBondContact ND2-SD 3.47Å; T199-M202 HydrophobicContact CG2-CE 3.91Å; T199-M202 WeakPolarHBondContact O-CB 3.32Å; T199-M202 PolarHBondContact O-N 3.41Å; T199-M202 VanDerWaalsContact O-N 3.1Å; M202-I204 PolarHBondContact O-N 3.33Å; M202-V207 HydrophobicContact CE-CG2 4.15Å; M202-V207 HydrophobicContact CG-CG2 4.06Å; M202-V207 HydrophobicContact SD-CG2 3.94Å; M202-I244 HydrophobicContact CE-CG2 3.66Å; M202-I244 HydrophobicContact SD-CG2 3.47Å; M202-I244 WeakPolarHBondContact SD-CG2 3.4Å; M202-A248 HydrophobicContact CE-CB 3.89Å
203S80.5Confident84.5Confident67 Ų6776.7 Ų76.747%0.46941%0.406SS..  trans-81.6104.3174.41790000111.1K205 M206 V207S203-K205 PolarHBondContact O-N 2.93Å; S203-M206 WeakPolarHBondContact O-CB 3.4Å; S203-M206 PolarHBondContact O-N 3.42Å; S203-M206 PolarHBondContact OG-N 3.31Å; S203-V207 PolarHBondContact O-N 3.02Å
204I83.8Confident84.6Confident83 Ų8377.9 Ų77.943%0.42641%0.413SS..Hα-helixtrans-57.1-37178.1-60.5175000111.5M202 M206 V207 L208 L245 A248M202-I204 PolarHBondContact O-N 3.33Å; I204-M206 VanDerWaalsContact C-N 3.28Å; I204-M206 PolarHBondContact O-N 2.95Å; I204-V207 PolarHBondContact O-N 3.31Å; I204-L208 HydrophobicContact CG2-CD1 4.28Å; I204-L208 WeakPolarHBondContact O-CG 3.08Å; I204-L208 PolarHBondContact O-N 2.98Å; I204-L245 HydrophobicContact CG2-CD2 4.31Å; I204-A248 HydrophobicContact CD1-CB 4.44Å; I204-A248 HydrophobicContact CG1-CB 4.46Å
205K82.3Confident84.8Confident176 Ų17674.4 Ų74.477%0.76540%0.404SS*.Hα-helixtrans-61.2-36.9177-66.1-179.9-177.4175.80112.3S203 M209S203-K205 PolarHBondContact O-N 2.93Å; K205-M209 PolarHBondContact O-N 3.27Å
206M81.4Confident84.9Confident55 Ų5570.3 Ų70.327%0.27139%0.391SS..Hα-helixtrans-67.6-45.1176.6-172.9-175.1-159.500110.9P32 S203 I204 L208 M209 W210P32-M206 HydrophobicContact CB-CE 4.33Å; S203-M206 WeakPolarHBondContact O-CB 3.4Å; S203-M206 PolarHBondContact O-N 3.42Å; S203-M206 PolarHBondContact OG-N 3.31Å; I204-M206 VanDerWaalsContact C-N 3.28Å; I204-M206 PolarHBondContact O-N 2.95Å; M206-L208 VanDerWaalsContact C-N 3.34Å; M206-L208 PolarHBondContact O-N 3.36Å; M206-M209 WeakPolarHBondContact O-CB 3.49Å; M206-M209 PolarHBondContact O-N 2.95Å; M206-M209 VanDerWaalsContact O-N 3.12Å; M206-W210 HydrophobicContact CE-CH2 4.15Å; M206-W210 HydrophobicContact CE-CZ2 3.24Å; M206-W210 HydrophobicContact CG-CD2 4.32Å; M206-W210 HydrophobicContact CG-CH2 4.45Å; M206-W210 HydrophobicContact CG-CZ2 3.86Å; M206-W210 PolarHBondContact O-N 3.49Å; M206-W210 HydrophobicContact SD-CH2 3.95Å; M206-W210 HydrophobicContact SD-CZ2 3.54Å; M206-W210 VanDerWaalsContact SD-CZ2 3.54Å
207V86.6Confident85.2Confident2 Ų265.7 Ų65.71%0.01237%0.369CS..Hα-helixtrans-61.8-43178.6-175.90000110.9M202 S203 I204 M209 W210 T211 I244 L245M202-V207 HydrophobicContact CE-CG2 4.15Å; M202-V207 HydrophobicContact CG-CG2 4.06Å; M202-V207 HydrophobicContact SD-CG2 3.94Å; S203-V207 PolarHBondContact O-N 3.02Å; I204-V207 PolarHBondContact O-N 3.31Å; V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 PolarHBondContact O-N 3.36Å; V207-W210 HydrophobicContact CG2-CE3 4.39Å; V207-W210 HydrophobicContact CG2-CZ3 4.46Å; V207-W210 WeakPolarHBondContact O-CB 3.28Å; V207-W210 PolarHBondContact O-N 2.82Å; V207-W210 VanDerWaalsContact O-N 3.14Å; V207-T211 PolarHBondContact O-N 3.24Å; V207-T211 PolarHBondContact O-OG1 3.02Å; V207-I244 HydrophobicContact CG1-CB 4.3Å; V207-I244 HydrophobicContact CG1-CG2 3.86Å; V207-I244 HydrophobicContact CG2-CG2 4.14Å; V207-L245 HydrophobicContact CB-CD2 4.02Å; V207-L245 HydrophobicContact CG1-CD2 3.68Å; V207-L245 HydrophobicContact CG1-CG 3.75Å
208L88.2Confident85.5Confident95 Ų9562.5 Ų62.550%0.49736%0.355SS..Hα-helixtrans-59.5-37.6174.9-73.8170000112.9I204 M206 T211 S212 L245I204-L208 HydrophobicContact CG2-CD1 4.28Å; I204-L208 WeakPolarHBondContact O-CG 3.08Å; I204-L208 PolarHBondContact O-N 2.98Å; M206-L208 VanDerWaalsContact C-N 3.34Å; M206-L208 PolarHBondContact O-N 3.36Å; L208-T211 PolarHBondContact O-N 3.43Å; L208-S212 WeakPolarHBondContact O-CB 3.39Å; L208-S212 PolarHBondContact O-N 2.91Å; L208-L245 HydrophobicContact CD2-CD1 3.79Å; L208-L245 HydrophobicContact CD2-CD2 3.95Å; L208-L245 HydrophobicContact CG-CD2 4.06Å
209M85.9Confident86Confident102 Ų10262.5 Ų62.550%0.50236%0.358SS..Hα-helixtrans-67.5-40.1176-174.3177.5-119.700111.7V31 P32 K205 M206 V207 G213V31-M209 HydrophobicContact CG1-CE 3.8Å; V31-M209 HydrophobicContact CG1-SD 4.19Å; P32-M209 HydrophobicContact CG-SD 4.38Å; K205-M209 PolarHBondContact O-N 3.27Å; M206-M209 WeakPolarHBondContact O-CB 3.49Å; M206-M209 PolarHBondContact O-N 2.95Å; M206-M209 VanDerWaalsContact O-N 3.12Å; V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 PolarHBondContact O-N 3.36Å; M209-G213 PolarHBondContact O-N 2.94Å
210W88.4Confident86.4Confident73 Ų7362.2 Ų62.228%0.27735%0.354SS..Hα-helixtrans-60.4-49.2172.2-64.5-19.9000111.3M206 V207 S212 G213 D214 D241M206-W210 HydrophobicContact CE-CH2 4.15Å; M206-W210 HydrophobicContact CE-CZ2 3.24Å; M206-W210 HydrophobicContact CG-CD2 4.32Å; M206-W210 HydrophobicContact CG-CH2 4.45Å; M206-W210 HydrophobicContact CG-CZ2 3.86Å; M206-W210 PolarHBondContact O-N 3.49Å; M206-W210 HydrophobicContact SD-CH2 3.95Å; M206-W210 HydrophobicContact SD-CZ2 3.54Å; M206-W210 VanDerWaalsContact SD-CZ2 3.54Å; V207-W210 HydrophobicContact CG2-CE3 4.39Å; V207-W210 HydrophobicContact CG2-CZ3 4.46Å; V207-W210 WeakPolarHBondContact O-CB 3.28Å; V207-W210 PolarHBondContact O-N 2.82Å; V207-W210 VanDerWaalsContact O-N 3.14Å; W210-S212 VanDerWaalsContact C-N 3.3Å; W210-S212 PolarHBondContact O-N 3.16Å; W210-G213 WeakPolarHBondContact O-CA 3.42Å; W210-G213 PolarHBondContact O-N 3.26Å; W210-D214 PolarHBondContact O-N 2.96Å; W210-D241 WeakPolarHBondContact CB-OD2 3.47Å
211T90.9Very high87.2Confident17 Ų1754.3 Ų54.310%0.10432%0.317CS..Hα-helixtrans-59.3-43.3-179.3-470000111.5V207 L208 A215 D241 L242 L245V207-T211 PolarHBondContact O-N 3.24Å; V207-T211 PolarHBondContact O-OG1 3.02Å; L208-T211 PolarHBondContact O-N 3.43Å; T211-A215 WeakPolarHBondContact O-CB 3.37Å; T211-A215 PolarHBondContact O-N 3.33Å; T211-D241 WeakPolarHBondContact CA-OD2 3.43Å; T211-D241 HydrophobicContact CG2-CB 4.17Å; T211-D241 PolarHBondContact N-OD2 2.84Å; T211-D241 WeakPolarHBondContact OG1-CB 3.5Å; T211-D241 PolarHBondContact OG1-OD2 3.08Å; T211-L242 HydrophobicContact CG2-CD2 4.08Å; T211-L242 HydrophobicContact CG2-CG 4.44Å; T211-L245 HydrophobicContact CG2-CD1 4.35Å; T211-L245 WeakPolarHBondContact OG1-CD1 3.45Å
212S90.9Very high88.1Confident82 Ų8256.1 Ų56.157%0.57331%0.307SS*.Hα-helixtrans-64-41.6176.2-177.90000112.1L208 W210 F216L208-S212 WeakPolarHBondContact O-CB 3.39Å; L208-S212 PolarHBondContact O-N 2.91Å; W210-S212 VanDerWaalsContact C-N 3.3Å; W210-S212 PolarHBondContact O-N 3.16Å; S212-F216 WeakPolarHBondContact O-CB 3.32Å; S212-F216 PolarHBondContact O-N 3.22Å
213G90Very high88.5Confident34 Ų3462 Ų6235%0.35134%0.339SS..Hα-helixtrans-65.7-45.7178.500000112.1M209 W210 F216 K217M209-G213 PolarHBondContact O-N 2.94Å; W210-G213 WeakPolarHBondContact O-CA 3.42Å; W210-G213 PolarHBondContact O-N 3.26Å; G213-F216 PolarHBondContact O-N 2.7Å; G213-K217 VanDerWaalsContact O-CB 3.25Å; G213-K217 WeakPolarHBondContact O-CB 3.34Å; G213-K217 PolarHBondContact O-N 3.05Å
214D92.2Very high88.7Confident28 Ų2863.3 Ų63.315%0.1534%0.336CS..Hα-helixtrans-71.5-35-179.3-73.7-17.7000111.9W210 K217 T218 Q237 V238W210-D214 PolarHBondContact O-N 2.96Å; D214-K217 PolarHBondContact O-N 3.07Å; D214-T218 VanDerWaalsContact O-CB 3.27Å; D214-T218 WeakPolarHBondContact O-CB 3.09Å; D214-T218 PolarHBondContact O-N 3.31Å; D214-T218 PolarHBondContact O-OG1 3.5Å; D214-Q237 HydrophobicContact CB-CB 4.16Å; D214-V238 HydrophobicContact CB-CG2 4.02Å
215A93.1Very high88.6Confident42 Ų4262.5 Ų62.535%0.34735%0.348SS..Hα-helixtrans-63.9-46.5171.400000111.4T211 T218 A219 V238T211-A215 WeakPolarHBondContact O-CB 3.37Å; T211-A215 PolarHBondContact O-N 3.33Å; A215-T218 PolarHBondContact O-N 3.27Å; A215-A219 WeakPolarHBondContact O-CB 3.19Å; A215-A219 PolarHBondContact O-N 3.11Å; A215-V238 HydrophobicContact CB-CG2 4.3Å
216F92.4Very high88.7Confident86 Ų8655.2 Ų55.238%0.37732%0.32SS..Hα-helixtrans-60.2-47.2175.9174.2-97.9000111.7A21 A24 M25 S212 G213 T218 A219 Y220A21-F216 HydrophobicContact CB-CZ 3.96Å; A24-F216 HydrophobicContact CB-CE1 3.74Å; A24-F216 HydrophobicContact CB-CZ 3.96Å; M25-F216 HydrophobicContact CG-CE1 3.99Å; M25-F216 HydrophobicContact SD-CD1 4.34Å; M25-F216 HydrophobicContact SD-CE1 4.07Å; S212-F216 WeakPolarHBondContact O-CB 3.32Å; S212-F216 PolarHBondContact O-N 3.22Å; G213-F216 PolarHBondContact O-N 2.7Å; F216-T218 PolarHBondContact O-N 3.35Å; F216-A219 PolarHBondContact O-N 2.96Å; F216-Y220 WeakPolarHBondContact O-CB 3.35Å; F216-Y220 PolarHBondContact O-N 3.24Å
217K90.9Very high89Confident13 Ų1353.3 Ų53.36%0.05731%0.312CS..Hα-helixtrans-60.2-44.2177.9-177.3-177.5176.7-165.50111.7M25 E182 G213 D214 Y220 F221M25-K217 HydrophobicContact CE-CG 3.93Å; M25-K217 HydrophobicContact SD-CB 4.13Å; M25-K217 HydrophobicContact SD-CG 4.04Å; E182-K217 IonicContact OE1-NZ 2.74Å; E182-K217 PolarHBondContact OE1-NZ 2.97Å; E182-K217 IonicContact OE2-NZ 3.35Å; E182-K217 PolarHBondContact OE2-NZ 2.97Å; G213-K217 VanDerWaalsContact O-CB 3.25Å; G213-K217 WeakPolarHBondContact O-CB 3.34Å; G213-K217 PolarHBondContact O-N 3.05Å; D214-K217 PolarHBondContact O-N 3.07Å; K217-Y220 WeakPolarHBondContact O-CB 3.43Å; K217-Y220 PolarHBondContact O-N 2.96Å; K217-F221 HydrophobicContact CD-CE2 4.04Å; K217-F221 HydrophobicContact CD-CZ 3.95Å; K217-F221 HydrophobicContact CG-CD2 4.27Å; K217-F221 HydrophobicContact CG-CE1 4.08Å; K217-F221 HydrophobicContact CG-CE2 3.5Å; K217-F221 HydrophobicContact CG-CZ 3.39Å; K217-F221 WeakPolarHBondContact O-CD2 3.28Å; K217-F221 WeakPolarHBondContact O-CG 3.28Å; K217-F221 PolarHBondContact O-N 3.39Å
218T92.1Very high89.1Confident12 Ų1259.9 Ų59.97%0.07435%0.346CS..Hα-helixtrans-65.3-43.3177.9-58.20000111.6D214 A215 F216 Y220 F221 L222 G234D214-T218 VanDerWaalsContact O-CB 3.27Å; D214-T218 WeakPolarHBondContact O-CB 3.09Å; D214-T218 PolarHBondContact O-N 3.31Å; D214-T218 PolarHBondContact O-OG1 3.5Å; A215-T218 PolarHBondContact O-N 3.27Å; F216-T218 PolarHBondContact O-N 3.35Å; T218-Y220 VanDerWaalsContact C-N 3.32Å; T218-Y220 PolarHBondContact O-N 3.33Å; T218-F221 PolarHBondContact O-N 3.12Å; T218-L222 HydrophobicContact CG2-CD1 4.37Å; T218-L222 WeakPolarHBondContact O-CG 3.47Å; T218-L222 PolarHBondContact O-N 3.01Å; T218-L222 VanDerWaalsContact O-N 3.07Å; T218-G234 VanDerWaalsContact OG1-CA 3.31Å; T218-G234 WeakPolarHBondContact OG1-CA 3.41Å; T218-G234 PolarHBondContact OG1-O 3.41Å; T218-G234 VanDerWaalsContact OG1-O 3.13Å
219A92Very high89.2Confident44 Ų4456.1 Ų56.136%0.36433%0.327SS..Hα-helixtrans-60.7-42.6174.300000111.4A215 F216 F221 L222 L223A215-A219 WeakPolarHBondContact O-CB 3.19Å; A215-A219 PolarHBondContact O-N 3.11Å; F216-A219 PolarHBondContact O-N 2.96Å; A219-F221 VanDerWaalsContact C-N 3.34Å; A219-F221 PolarHBondContact O-N 3.45Å; A219-L222 PolarHBondContact O-N 3.48Å; A219-L223 WeakPolarHBondContact O-CB 3.34Å; A219-L223 VanDerWaalsContact O-CG 3.28Å; A219-L223 WeakPolarHBondContact O-CG 3.34Å; A219-L223 PolarHBondContact O-N 3.1Å
220Y89.9Confident89.4Confident21 Ų2151.3 Ų51.38%0.08230%0.303CS..Hα-helixtrans-57.7-45.4175.3-171.8-88.9000111.8A21 M25 E74 L77 F216 K217 T218 L222 L223 K224A21-Y220 HydrophobicContact CB-CD2 4.35Å; A21-Y220 HydrophobicContact CB-CE2 4.15Å; M25-Y220 HydrophobicContact CE-CD1 3.73Å; M25-Y220 HydrophobicContact CE-CE1 4.18Å; M25-Y220 HydrophobicContact CE-CG 4.25Å; M25-Y220 HydrophobicContact CG-CD1 3.94Å; M25-Y220 HydrophobicContact CG-CD2 3.84Å; M25-Y220 HydrophobicContact CG-CE1 4.07Å; M25-Y220 HydrophobicContact CG-CE2 3.99Å; M25-Y220 HydrophobicContact CG-CG 3.81Å; M25-Y220 HydrophobicContact SD-CD1 3.98Å; M25-Y220 HydrophobicContact SD-CD2 4.44Å; M25-Y220 HydrophobicContact SD-CG 3.87Å; E74-Y220 WeakPolarHBondContact OE2-CE1 3.37Å; E74-Y220 PolarHBondContact OE2-OH 3.36Å; E74-Y220 VanDerWaalsContact OE2-OH 3.1Å; L77-Y220 HydrophobicContact CD1-CE1 4.01Å; F216-Y220 WeakPolarHBondContact O-CB 3.35Å; F216-Y220 PolarHBondContact O-N 3.24Å; K217-Y220 WeakPolarHBondContact O-CB 3.43Å; K217-Y220 PolarHBondContact O-N 2.96Å; T218-Y220 VanDerWaalsContact C-N 3.32Å; T218-Y220 PolarHBondContact O-N 3.33Å; Y220-L222 PolarHBondContact O-N 3.22Å; Y220-L223 PolarHBondContact O-N 3.21Å; Y220-K224 HydrophobicContact CD1-CG 4.16Å; Y220-K224 HydrophobicContact CE1-CG 3.89Å; Y220-K224 HydrophobicContact CE2-CG 4.34Å; Y220-K224 WeakPolarHBondContact O-CB 3.35Å; Y220-K224 WeakPolarHBondContact O-CG 3.3Å; Y220-K224 PolarHBondContact O-N 2.99Å
221F90.3Very high89.6Confident1 Ų148.7 Ų48.70%0.00430%0.296CS..Hα-helixtrans-62.3-42.1178-62.2-26.1000113.5M25 L77 K217 T218 A219 G225 A226 F230M25-F221 HydrophobicContact CE-CD1 4.33Å; M25-F221 HydrophobicContact CE-CE1 3.52Å; M25-F221 HydrophobicContact CE-CZ 4.08Å; L77-F221 HydrophobicContact CD1-CE1 4.19Å; L77-F221 HydrophobicContact CD2-CD1 4.32Å; L77-F221 HydrophobicContact CD2-CE1 3.57Å; L77-F221 HydrophobicContact CD2-CZ 4.24Å; L77-F221 HydrophobicContact CG-CE1 3.95Å; K217-F221 HydrophobicContact CD-CE2 4.04Å; K217-F221 HydrophobicContact CD-CZ 3.95Å; K217-F221 HydrophobicContact CG-CD2 4.27Å; K217-F221 HydrophobicContact CG-CE1 4.08Å; K217-F221 HydrophobicContact CG-CE2 3.5Å; K217-F221 HydrophobicContact CG-CZ 3.39Å; K217-F221 WeakPolarHBondContact O-CD2 3.28Å; K217-F221 WeakPolarHBondContact O-CG 3.28Å; K217-F221 PolarHBondContact O-N 3.39Å; T218-F221 PolarHBondContact O-N 3.12Å; A219-F221 VanDerWaalsContact C-N 3.34Å; A219-F221 PolarHBondContact O-N 3.45Å; F221-G225 PolarHBondContact O-N 3.37Å; F221-G225 VanDerWaalsContact O-N 3.17Å; F221-A226 HydrophobicContact CB-CB 3.97Å; F221-A226 HydrophobicContact CD1-CB 4.12Å; F221-A226 HydrophobicContact CG-CB 4.31Å; F221-A226 PolarHBondContact O-N 2.98Å; F221-F230 HydrophobicContact CB-CB 4.38Å; F221-F230 HydrophobicContact CD1-CB 4.3Å; F221-F230 HydrophobicContact CD2-CB 3.65Å; F221-F230 WeakPolarHBondContact CD2-O 3.33Å; F221-F230 HydrophobicContact CE1-CB 4.49Å; F221-F230 HydrophobicContact CE1-CD1 4.16Å; F221-F230 HydrophobicContact CE2-CB 3.81Å; F221-F230 AromaticContact CE2-CD1 3.91Å; F221-F230 HydrophobicContact CE2-CD1 3.91Å; F221-F230 HydrophobicContact CE2-CG 4.33Å; F221-F230 HydrophobicContact CG-CB 3.87Å; F221-F230 HydrophobicContact CZ-CB 4.23Å; F221-F230 AromaticContact CZ-CD1 3.67Å; F221-F230 HydrophobicContact CZ-CD1 3.67Å; F221-F230 HydrophobicContact CZ-CE1 4.47Å; F221-F230 HydrophobicContact CZ-CG 4.32Å
222L89.1Confident89.8Confident117 Ų11752.1 Ų52.161%0.61332%0.316SS*.Hα-helixtrans-66.9-42.4178.2-68172.4000111.7T218 A219 Y220T218-L222 HydrophobicContact CG2-CD1 4.37Å; T218-L222 WeakPolarHBondContact O-CG 3.47Å; T218-L222 PolarHBondContact O-N 3.01Å; T218-L222 VanDerWaalsContact O-N 3.07Å; A219-L222 PolarHBondContact O-N 3.48Å; Y220-L222 PolarHBondContact O-N 3.22Å
223L88.3Confident90Very high152 Ų15248.3 Ų48.380%0.79629%0.29SS*.Hα-helixtrans-70.5-33.5-179.8-68.9173.4000112.9A219 Y220A219-L223 WeakPolarHBondContact O-CB 3.34Å; A219-L223 VanDerWaalsContact O-CG 3.28Å; A219-L223 WeakPolarHBondContact O-CG 3.34Å; A219-L223 PolarHBondContact O-N 3.1Å; Y220-L223 PolarHBondContact O-N 3.21Å
224K84Confident90.1Very high95 Ų9546.7 Ų46.741%0.41327%0.273SS..Hα-helixtrans-90.2-1.5-179.2-67.7-61.5-161166.40114.4E74 Y220 A226E74-K224 WeakPolarHBondContact OE1-CD 3.24Å; E74-K224 IonicContact OE1-NZ 3.47Å; E74-K224 WeakPolarHBondContact OE2-CG 3.42Å; Y220-K224 HydrophobicContact CD1-CG 4.16Å; Y220-K224 HydrophobicContact CE1-CG 3.89Å; Y220-K224 HydrophobicContact CE2-CG 4.34Å; Y220-K224 WeakPolarHBondContact O-CB 3.35Å; Y220-K224 WeakPolarHBondContact O-CG 3.3Å; Y220-K224 PolarHBondContact O-N 2.99Å; K224-A226 VanDerWaalsContact C-N 3.3Å; K224-A226 PolarHBondContact O-N 3.23Å
225G82.4Confident90.2Very high66 Ų6649.9 Ų49.968%0.6829%0.29SS*.THydrogen-bonded Turntrans60.939.1-177.800000112.7F221F221-G225 PolarHBondContact O-N 3.37Å; F221-G225 VanDerWaalsContact O-N 3.17Å
226A84.6Confident90.3Very high22 Ų2250.9 Ų50.918%0.18229%0.289CS..  trans-60.8158.9177.200000111.2F221 K224 L228 F230F221-A226 HydrophobicContact CB-CB 3.97Å; F221-A226 HydrophobicContact CD1-CB 4.12Å; F221-A226 HydrophobicContact CG-CB 4.31Å; F221-A226 PolarHBondContact O-N 2.98Å; K224-A226 VanDerWaalsContact C-N 3.3Å; K224-A226 PolarHBondContact O-N 3.23Å; A226-L228 PolarHBondContact O-N 3.07Å; A226-F230 HydrophobicContact CB-CB 4.23Å; A226-F230 HydrophobicContact CB-CD2 4.41Å
227P86.6Confident90.5Very high16 Ų1647.4 Ų47.410%0.10427%0.274CS..  trans-50.6141.8176-25.832.4000112.2F67 F73 Q229 F230F67-P227 HydrophobicContact CZ-CB 4.49Å; F73-P227 HydrophobicContact CB-CG 4.43Å; P227-Q229 PolarHBondContact O-N 2.93Å; P227-F230 HydrophobicContact CB-CD2 3.96Å; P227-F230 HydrophobicContact CB-CE2 4.32Å; P227-F230 HydrophobicContact CG-CD2 4.03Å; P227-F230 HydrophobicContact CG-CE2 4.06Å; P227-F230 WeakPolarHBondContact O-CB 3.3Å; P227-F230 PolarHBondContact O-N 2.81Å
228L89.1Confident90.7Very high139 Ų13947.9 Ų47.973%0.72828%0.277SS*.Hα-helixtrans-54-30.4-170.9-71173.1000113.5A226 F230 S231 V232A226-L228 PolarHBondContact O-N 3.07Å; L228-F230 PolarHBondContact O-N 3.24Å; L228-S231 PolarHBondContact O-N 3.36Å; L228-V232 WeakPolarHBondContact O-CG2 3.17Å; L228-V232 PolarHBondContact O-N 3.48Å
229Q90.8Very high90.9Very high17 Ų1751.9 Ų51.98%0.07930%0.298CS..Hα-helixtrans-54.7-40.7175.8-59.687.7-15.600112.2E172 F176 P227 C233E172-Q229 PolarHBondContact O-NE2 2.87Å; E172-Q229 PolarHBondContact OE2-NE2 3.34Å; F176-Q229 HydrophobicContact CB-CG 3.91Å; F176-Q229 HydrophobicContact CD2-CB 4.47Å; F176-Q229 HydrophobicContact CD2-CG 4.19Å; P227-Q229 PolarHBondContact O-N 2.93Å; Q229-C233 WeakPolarHBondContact O-CB 3.44Å; Q229-C233 PolarHBondContact O-N 3.19Å; Q229-C233 PolarHBondContact O-SG 3.47Å
230F90.3Very high91Very high1 Ų150.4 Ų50.40%0.00428%0.284CS..Hα-helixtrans-67.8-44.7-179.7-73.1-80000112R64 F67 F73 L77 V179 F221 A226 P227 L228 G234R64-F230 HydrophobicContact CG-CE1 4.48Å; R64-F230 HydrophobicContact CG-CZ 4.36Å; F67-F230 AromaticContact CE1-CE2 3.82Å; F67-F230 HydrophobicContact CE1-CE2 3.82Å; F67-F230 HydrophobicContact CE1-CZ 4.28Å; F73-F230 HydrophobicContact CD1-CE2 4.1Å; F73-F230 HydrophobicContact CD1-CZ 4.1Å; F73-F230 HydrophobicContact CD2-CZ 4.45Å; F73-F230 HydrophobicContact CE1-CZ 4.1Å; F73-F230 HydrophobicContact CE2-CZ 4.47Å; F73-F230 HydrophobicContact CG-CE2 4.24Å; F73-F230 HydrophobicContact CG-CZ 4.27Å; F73-F230 HydrophobicContact CZ-CZ 4.29Å; L77-F230 HydrophobicContact CD2-CD1 4.1Å; L77-F230 HydrophobicContact CD2-CE1 3.74Å; L77-F230 HydrophobicContact CD2-CE2 4.41Å; L77-F230 HydrophobicContact CD2-CZ 3.91Å; V179-F230 HydrophobicContact CG1-CD1 4.22Å; V179-F230 HydrophobicContact CG2-CD1 3.8Å; V179-F230 HydrophobicContact CG2-CE1 3.68Å; V179-F230 HydrophobicContact CG2-CG 4.35Å; V179-F230 HydrophobicContact CG2-CZ 4.16Å; F221-F230 HydrophobicContact CB-CB 4.38Å; F221-F230 HydrophobicContact CD1-CB 4.3Å; F221-F230 HydrophobicContact CD2-CB 3.65Å; F221-F230 WeakPolarHBondContact CD2-O 3.33Å; F221-F230 HydrophobicContact CE1-CB 4.49Å; F221-F230 HydrophobicContact CE1-CD1 4.16Å; F221-F230 HydrophobicContact CE2-CB 3.81Å; F221-F230 AromaticContact CE2-CD1 3.91Å; F221-F230 HydrophobicContact CE2-CD1 3.91Å; F221-F230 HydrophobicContact CE2-CG 4.33Å; F221-F230 HydrophobicContact CG-CB 3.87Å; F221-F230 HydrophobicContact CZ-CB 4.23Å; F221-F230 AromaticContact CZ-CD1 3.67Å; F221-F230 HydrophobicContact CZ-CD1 3.67Å; F221-F230 HydrophobicContact CZ-CE1 4.47Å; F221-F230 HydrophobicContact CZ-CG 4.32Å; A226-F230 HydrophobicContact CB-CB 4.23Å; A226-F230 HydrophobicContact CB-CD2 4.41Å; P227-F230 HydrophobicContact CB-CD2 3.96Å; P227-F230 HydrophobicContact CB-CE2 4.32Å; P227-F230 HydrophobicContact CG-CD2 4.03Å; P227-F230 HydrophobicContact CG-CE2 4.06Å; P227-F230 WeakPolarHBondContact O-CB 3.3Å; P227-F230 PolarHBondContact O-N 2.81Å; L228-F230 PolarHBondContact O-N 3.24Å; F230-G234 WeakPolarHBondContact O-CA 2.92Å; F230-G234 PolarHBondContact O-N 3.08Å
231S92.4Very high91.2Very high18 Ų1849.7 Ų49.713%0.12628%0.282CS..Hα-helixtrans-67.8-44.1179.4-58.20000112.1L228 L235L228-S231 PolarHBondContact O-N 3.36Å; S231-L235 WeakPolarHBondContact O-CB 3.49Å; S231-L235 PolarHBondContact O-N 3.48Å
232V94Very high91.4Very high89 Ų8954 Ų5454%0.53931%0.305SS..Hα-helixtrans-65.1-48.8179.5172.60000111L228 L235 L236L228-V232 WeakPolarHBondContact O-CG2 3.17Å; L228-V232 PolarHBondContact O-N 3.48Å; V232-L235 PolarHBondContact O-N 2.95Å; V232-L236 PolarHBondContact O-N 3.16Å
233C94.6Very high91.7Very high2 Ų250.4 Ų50.41%0.01429%0.292CS..Hα-helixtrans-70.2-35.9179.5-64.60000111.9V179 A183 Q229 L236 Q237V179-C233 HydrophobicContact CB-CB 4.01Å; V179-C233 HydrophobicContact CG1-CB 3.44Å; V179-C233 VanDerWaalsContact CG1-CB 3.44Å; A183-C233 HydrophobicContact CB-CB 4.08Å; Q229-C233 WeakPolarHBondContact O-CB 3.44Å; Q229-C233 PolarHBondContact O-N 3.19Å; Q229-C233 PolarHBondContact O-SG 3.47Å; C233-L236 WeakPolarHBondContact O-CB 3.39Å; C233-L236 PolarHBondContact O-N 2.91Å; C233-Q237 WeakPolarHBondContact O-CG 3.33Å; C233-Q237 PolarHBondContact O-N 2.89Å
234G93.1Very high91.9Very high0 Ų043.2 Ų43.20%025%0.254CS..Hα-helixtrans-62.1-43.4174.400000112.1T218 F230 L236 Q237 V238T218-G234 VanDerWaalsContact OG1-CA 3.31Å; T218-G234 WeakPolarHBondContact OG1-CA 3.41Å; T218-G234 PolarHBondContact OG1-O 3.41Å; T218-G234 VanDerWaalsContact OG1-O 3.13Å; F230-G234 WeakPolarHBondContact O-CA 2.92Å; F230-G234 PolarHBondContact O-N 3.08Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.34Å; G234-Q237 WeakPolarHBondContact O-CB 3.32Å; G234-Q237 PolarHBondContact O-N 3.33Å; G234-V238 WeakPolarHBondContact O-CG2 3.44Å; G234-V238 PolarHBondContact O-N 3.17Å; G234-V238 VanDerWaalsContact O-N 3.08Å
235L94.6Very high92.4Very high95 Ų9540.2 Ų40.250%0.49724%0.242SC..Hα-helixtrans-62.4-42.2173.3-177.761.8000111.5S231 V232 Q237 V238 L239S231-L235 WeakPolarHBondContact O-CB 3.49Å; S231-L235 PolarHBondContact O-N 3.48Å; V232-L235 PolarHBondContact O-N 2.95Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 2.9Å; L235-V238 PolarHBondContact O-N 3.35Å; L235-L239 HydrophobicContact CD1-CG 4.49Å; L235-L239 HydrophobicContact CG-CD1 4.22Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.46Å; L235-L239 PolarHBondContact O-N 3.05Å
236L95Very high92.8Very high63 Ų6339 Ų3933%0.3323%0.229SC..Hα-helixtrans-58-42.7174.9178.963.7000111.8L180 A183 V232 C233 G234 L239 V240L180-L236 HydrophobicContact CD1-CD2 4.09Å; A183-L236 HydrophobicContact CB-CD2 4.27Å; V232-L236 PolarHBondContact O-N 3.16Å; C233-L236 WeakPolarHBondContact O-CB 3.39Å; C233-L236 PolarHBondContact O-N 2.91Å; G234-L236 VanDerWaalsContact C-N 3.33Å; G234-L236 PolarHBondContact O-N 3.34Å; L236-L239 PolarHBondContact O-N 3.26Å; L236-V240 HydrophobicContact CD1-CG2 4.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.49Å; L236-V240 PolarHBondContact O-N 3.23Å
237Q95.4Very high93.2Very high13 Ų1339.4 Ų39.46%0.06123%0.228CC..Hα-helixtrans-57.9-51.6175.4-73.1-176.2-7300111.7A183 D214 C233 G234 L235 L239 V240 D241A183-Q237 VanDerWaalsContact CA-CG 3.45Å; A183-Q237 HydrophobicContact CB-CG 3.61Å; D214-Q237 HydrophobicContact CB-CB 4.16Å; C233-Q237 WeakPolarHBondContact O-CG 3.33Å; C233-Q237 PolarHBondContact O-N 2.89Å; G234-Q237 WeakPolarHBondContact O-CB 3.32Å; G234-Q237 PolarHBondContact O-N 3.33Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 2.9Å; Q237-L239 VanDerWaalsContact C-N 3.26Å; Q237-L239 PolarHBondContact O-N 2.94Å; Q237-V240 PolarHBondContact O-N 3.5Å; Q237-V240 VanDerWaalsContact O-N 3.16Å; Q237-D241 WeakPolarHBondContact O-CB 3.42Å; Q237-D241 PolarHBondContact O-N 3.03Å
238V95.3Very high93.4Very high22 Ų2238.8 Ų38.813%0.13322%0.224CC..Hα-helixtrans-57.7-41.6177.9175.70000111D214 A215 G234 L235 D241 L242D214-V238 HydrophobicContact CB-CG2 4.02Å; A215-V238 HydrophobicContact CB-CG2 4.3Å; G234-V238 WeakPolarHBondContact O-CG2 3.44Å; G234-V238 PolarHBondContact O-N 3.17Å; G234-V238 VanDerWaalsContact O-N 3.08Å; L235-V238 PolarHBondContact O-N 3.35Å; V238-D241 PolarHBondContact O-N 3.43Å; V238-L242 HydrophobicContact CG1-CD1 4.02Å; V238-L242 HydrophobicContact CG1-CG 4.36Å; V238-L242 WeakPolarHBondContact O-CB 3.5Å; V238-L242 VanDerWaalsContact O-CG 3.22Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 3.35Å
239L96Very high93.4Very high96 Ų9638.4 Ų38.450%0.50321%0.214SC..Hα-helixtrans-65.3-42.7178-70173.6000112.7L235 L236 Q237 D241 L242 A243L235-L239 HydrophobicContact CD1-CG 4.49Å; L235-L239 HydrophobicContact CG-CD1 4.22Å; L235-L239 HydrophobicContact CG-CG 4.47Å; L235-L239 VanDerWaalsContact O-CG 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.46Å; L235-L239 PolarHBondContact O-N 3.05Å; L236-L239 PolarHBondContact O-N 3.26Å; Q237-L239 VanDerWaalsContact C-N 3.26Å; Q237-L239 PolarHBondContact O-N 2.94Å; L239-D241 VanDerWaalsContact C-N 3.33Å; L239-L242 PolarHBondContact O-N 2.92Å; L239-A243 WeakPolarHBondContact O-CB 3.25Å; L239-A243 PolarHBondContact O-N 3.33Å
240V94.9Very high93.4Very high13 Ų1339.5 Ų39.58%0.07923%0.226CC..Hα-helixtrans-62.2-44.5176.7169.30000110.4V187 L236 Q237 A243 I244V187-V240 HydrophobicContact CG2-CG1 4.25Å; V187-V240 HydrophobicContact CG2-CG2 4Å; L236-V240 HydrophobicContact CD1-CG2 4.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.49Å; L236-V240 PolarHBondContact O-N 3.23Å; Q237-V240 PolarHBondContact O-N 3.5Å; Q237-V240 VanDerWaalsContact O-N 3.16Å; V240-A243 WeakPolarHBondContact O-CB 3.42Å; V240-A243 PolarHBondContact O-N 3.48Å; V240-I244 HydrophobicContact CG1-CD1 4.11Å; V240-I244 WeakPolarHBondContact O-CG1 3.36Å; V240-I244 PolarHBondContact O-N 3.27Å
241D94.4Very high93.3Very high6 Ų641.3 Ų41.33%0.03223%0.234CC..Hα-helixtrans-62.1-45.8177.8-87.510.8000112.6W210 T211 Q237 V238 L239 A243 I244 L245W210-D241 WeakPolarHBondContact CB-OD2 3.47Å; T211-D241 WeakPolarHBondContact CA-OD2 3.43Å; T211-D241 HydrophobicContact CG2-CB 4.17Å; T211-D241 PolarHBondContact N-OD2 2.84Å; T211-D241 WeakPolarHBondContact OG1-CB 3.5Å; T211-D241 PolarHBondContact OG1-OD2 3.08Å; Q237-D241 WeakPolarHBondContact O-CB 3.42Å; Q237-D241 PolarHBondContact O-N 3.03Å; V238-D241 PolarHBondContact O-N 3.43Å; L239-D241 VanDerWaalsContact C-N 3.33Å; D241-A243 VanDerWaalsContact C-N 3.28Å; D241-A243 PolarHBondContact O-N 3.5Å; D241-I244 PolarHBondContact O-N 3.47Å; D241-L245 WeakPolarHBondContact O-CG 3.44Å; D241-L245 PolarHBondContact O-N 3.01Å
242L94.9Very high92.9Very high93 Ų9344 Ų4449%0.48726%0.257SS..Hα-helixtrans-62-37174.1-70.7176000111.8T211 V238 L239 L245 G246T211-L242 HydrophobicContact CG2-CD2 4.08Å; T211-L242 HydrophobicContact CG2-CG 4.44Å; V238-L242 HydrophobicContact CG1-CD1 4.02Å; V238-L242 HydrophobicContact CG1-CG 4.36Å; V238-L242 WeakPolarHBondContact O-CB 3.5Å; V238-L242 VanDerWaalsContact O-CG 3.22Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 3.35Å; L239-L242 PolarHBondContact O-N 2.92Å; L242-L245 PolarHBondContact O-N 3.29Å; L242-G246 PolarHBondContact O-N 2.9Å
243A94.7Very high92.2Very high41 Ų4147.5 Ų47.534%0.33926%0.261SS..Hα-helixtrans-65.7-39.9175.300000111.9L190 L239 V240 D241 G246 Q247L190-A243 HydrophobicContact CD1-CB 3.62Å; L190-A243 HydrophobicContact CD2-CB 4.33Å; L239-A243 WeakPolarHBondContact O-CB 3.25Å; L239-A243 PolarHBondContact O-N 3.33Å; V240-A243 WeakPolarHBondContact O-CB 3.42Å; V240-A243 PolarHBondContact O-N 3.48Å; D241-A243 VanDerWaalsContact C-N 3.28Å; D241-A243 PolarHBondContact O-N 3.5Å; A243-G246 PolarHBondContact O-N 3.43Å; A243-Q247 WeakPolarHBondContact O-CG 3.34Å; A243-Q247 PolarHBondContact O-N 3.46Å
244I93.2Very high91.1Very high0 Ų054.5 Ų54.50%029%0.293CS..Hα-helixtrans-63.6-45.2174.6-67.5167.6000110.8G186 Q189 L190 M202 V207 V240 D241 G246 Q247 A248G186-I244 WeakPolarHBondContact O-CD1 3.35Å; Q189-I244 HydrophobicContact CB-CD1 4.33Å; Q189-I244 HydrophobicContact CG-CD1 4.45Å; L190-I244 HydrophobicContact CB-CD1 4.39Å; L190-I244 HydrophobicContact CB-CG1 3.88Å; L190-I244 HydrophobicContact CD1-CG1 3.89Å; M202-I244 HydrophobicContact CE-CG2 3.66Å; M202-I244 HydrophobicContact SD-CG2 3.47Å; M202-I244 WeakPolarHBondContact SD-CG2 3.4Å; V207-I244 HydrophobicContact CG1-CB 4.3Å; V207-I244 HydrophobicContact CG1-CG2 3.86Å; V207-I244 HydrophobicContact CG2-CG2 4.14Å; V240-I244 HydrophobicContact CG1-CD1 4.11Å; V240-I244 WeakPolarHBondContact O-CG1 3.36Å; V240-I244 PolarHBondContact O-N 3.27Å; D241-I244 PolarHBondContact O-N 3.47Å; I244-G246 VanDerWaalsContact C-N 3.33Å; I244-G246 PolarHBondContact O-N 2.79Å; I244-Q247 PolarHBondContact O-N 3.41Å; I244-A248 PolarHBondContact O-N 3.16Å
245L93.1Very high89.5Confident32 Ų3259.4 Ų59.417%0.16833%0.325CS..Hα-helixtrans-63.1-40.2175.8-70.4173.2000111.7I204 V207 L208 T211 D241 L242 A248 Y249I204-L245 HydrophobicContact CG2-CD2 4.31Å; V207-L245 HydrophobicContact CB-CD2 4.02Å; V207-L245 HydrophobicContact CG1-CD2 3.68Å; V207-L245 HydrophobicContact CG1-CG 3.75Å; L208-L245 HydrophobicContact CD2-CD1 3.79Å; L208-L245 HydrophobicContact CD2-CD2 3.95Å; L208-L245 HydrophobicContact CG-CD2 4.06Å; T211-L245 HydrophobicContact CG2-CD1 4.35Å; T211-L245 WeakPolarHBondContact OG1-CD1 3.45Å; D241-L245 WeakPolarHBondContact O-CG 3.44Å; D241-L245 PolarHBondContact O-N 3.01Å; L242-L245 PolarHBondContact O-N 3.29Å; L245-A248 PolarHBondContact O-N 3.3Å; L245-Y249 WeakPolarHBondContact O-CB 3.5Å; L245-Y249 PolarHBondContact O-N 2.96Å
246G92.6Very high87.7Confident40 Ų4061.4 Ų61.441%0.41233%0.332SS..Hα-helixtrans-59.7-44.7174.500000112.5L242 A243 I244 Y249 A250L242-G246 PolarHBondContact O-N 2.9Å; A243-G246 PolarHBondContact O-N 3.43Å; I244-G246 VanDerWaalsContact C-N 3.33Å; I244-G246 PolarHBondContact O-N 2.79Å; G246-Y249 PolarHBondContact O-N 3.15Å; G246-A250 WeakPolarHBondContact O-CB 3.43Å; G246-A250 PolarHBondContact O-N 2.98Å
247Q92.2Very high85.3Confident31 Ų3167.7 Ų67.715%0.14536%0.356CS..Hα-helixtrans-62.1-45.2173.5-74176.8-19.500112.1L190 N193 A243 I244 Y249 A250 F251L190-Q247 HydrophobicContact CD1-CG 4.43Å; L190-Q247 PolarHBondContact O-NE2 2.95Å; L190-Q247 PolarHBondContact O-OE1 2.96Å; N193-Q247 PolarHBondContact ND2-OE1 3Å; A243-Q247 WeakPolarHBondContact O-CG 3.34Å; A243-Q247 PolarHBondContact O-N 3.46Å; I244-Q247 PolarHBondContact O-N 3.41Å; Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 3.03Å; Q247-A250 PolarHBondContact O-N 3.19Å; Q247-F251 HydrophobicContact CB-CE2 4.12Å; Q247-F251 WeakPolarHBondContact O-CD2 3.29Å; Q247-F251 WeakPolarHBondContact O-CG 3.31Å; Q247-F251 PolarHBondContact O-N 3.32Å
248A90.1Very high82.9Confident4 Ų472.8 Ų72.83%0.03339%0.39CS..Hα-helixtrans-58.1-42.4177.800000111.8T199 M202 I204 I244 L245 A252T199-A248 HydrophobicContact CG2-CB 3.94Å; M202-A248 HydrophobicContact CE-CB 3.89Å; I204-A248 HydrophobicContact CD1-CB 4.44Å; I204-A248 HydrophobicContact CG1-CB 4.46Å; I244-A248 PolarHBondContact O-N 3.16Å; L245-A248 PolarHBondContact O-N 3.3Å; A248-A252 VanDerWaalsContact O-CB 3.26Å; A248-A252 WeakPolarHBondContact O-CB 3.26Å; A248-A252 PolarHBondContact O-N 2.69Å
249Y90.4Very high80.7Confident130 Ų13075.9 Ų75.951%0.5142%0.418SS..Hα-helixtrans-67.4-43.4176.9-178.7-108.3000113.1L245 G246 Q247 A252 R253L245-Y249 WeakPolarHBondContact O-CB 3.5Å; L245-Y249 PolarHBondContact O-N 2.96Å; G246-Y249 PolarHBondContact O-N 3.15Å; Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 3.03Å; Y249-A252 PolarHBondContact O-N 3.25Å; Y249-R253 PolarHBondContact O-N 3.24Å; Y249-R253 VanDerWaalsContact O-N 3.14Å; Y249-R253 PolarHBondContact OH-NE 3.14Å; Y249-R253 PolarHBondContact OH-NH2 2.72Å
250A90.3Very high78.1Confident41 Ų4179.2 Ų79.234%0.33944%0.436SS..Hα-helixtrans-62.4-45.9178.700000111.8G246 Q247 R253 H254G246-A250 WeakPolarHBondContact O-CB 3.43Å; G246-A250 PolarHBondContact O-N 2.98Å; Q247-A250 PolarHBondContact O-N 3.19Å; A250-R253 PolarHBondContact O-N 3.11Å; A250-H254 PolarHBondContact O-N 3.41Å; A250-H254 VanDerWaalsContact O-N 3.16Å
251F87.9Confident75.8Confident39 Ų3987 Ų8717%0.17147%0.471CS..Hα-helixtrans-72.1-29.2179.6-58.4-25.9000112.7N193 Q197 T199 Q247 R253 H254N193-F251 HydrophobicContact CB-CE2 4.41Å; N193-F251 WeakPolarHBondContact O-CE2 3.48Å; Q197-F251 HydrophobicContact CB-CE1 4.47Å; Q197-F251 HydrophobicContact CB-CZ 4.43Å; T199-F251 HydrophobicContact CG2-CD2 3.85Å; T199-F251 HydrophobicContact CG2-CE2 4.49Å; Q247-F251 HydrophobicContact CB-CE2 4.12Å; Q247-F251 WeakPolarHBondContact O-CD2 3.29Å; Q247-F251 WeakPolarHBondContact O-CG 3.31Å; Q247-F251 PolarHBondContact O-N 3.32Å; F251-R253 VanDerWaalsContact C-N 3.34Å; F251-H254 CarbonylContact O-C 3.49Å; F251-H254 VanDerWaalsContact O-C 3.31Å
252A84.1Confident73.2Confident74 Ų7491 Ų9161%0.61251%0.505SS*.Hα-helixtrans-67.6-32.7172.200000113A248 Y249A248-A252 VanDerWaalsContact O-CB 3.26Å; A248-A252 WeakPolarHBondContact O-CB 3.26Å; A248-A252 PolarHBondContact O-N 2.69Å; Y249-A252 PolarHBondContact O-N 3.25Å
253R79.3Confident70.6Confident162 Ų16292.5 Ų92.561%0.61152%0.518SS*.Hα-helixtrans-78.8-26.6177.6-78-177160.7-157-9.1113.7Y249 A250 F251 P255Y249-R253 PolarHBondContact O-N 3.24Å; Y249-R253 VanDerWaalsContact O-N 3.14Å; Y249-R253 PolarHBondContact OH-NE 3.14Å; Y249-R253 PolarHBondContact OH-NH2 2.72Å; A250-R253 PolarHBondContact O-N 3.11Å; F251-R253 VanDerWaalsContact C-N 3.34Å; R253-P255 VanDerWaalsContact O-CD 3.24Å; R253-P255 WeakPolarHBondContact O-CD 3.3Å
254H70.7Confident67.9Low149 Ų14998.7 Ų98.769%0.6954%0.54SS*.SBendtrans-115.369.4174.9-63.7-73.5000109.8A250 F251 Q256A250-H254 PolarHBondContact O-N 3.41Å; A250-H254 VanDerWaalsContact O-N 3.16Å; F251-H254 CarbonylContact O-C 3.49Å; F251-H254 VanDerWaalsContact O-C 3.31Å; H254-Q256 PolarHBondContact O-N 3.44Å
255P61Low65.3Low103 Ų103103.9 Ų103.967%0.66957%0.573SS**  trans-57.3115.9175.323.6-31.4000108.1R253 K257R253-P255 VanDerWaalsContact O-CD 3.24Å; R253-P255 WeakPolarHBondContact O-CD 3.3Å; P255-K257 PolarHBondContact O-N 2.88Å
256Q56.1Low62.6Low137 Ų137106.6 Ų106.664%0.6460%0.6SS**PPolyproline II helixtrans-60.6129.1175.1-66.8-157.8-6.400107.8H254H254-Q256 PolarHBondContact O-N 3.44Å
257K44.3Very low59.9Low195 Ų195108.4 Ų108.485%0.84862%0.619SS**PPolyproline II helixtrans-52.3130.1168.1-77.7178.8176.8177.90106.8P255 A259P255-K257 PolarHBondContact O-N 2.88Å; K257-A259 PolarHBondContact O-N 2.81Å
258P46.3Very low57.2Low120 Ų120113.4 Ų113.478%0.77965%0.652SS**PPolyproline II helixtrans-52.4123.7176.415.7-24.8000107.6L260P258-L260 PolarHBondContact O-N 2.88Å
259A48.1Very low54.8Low87 Ų87122.7 Ų122.772%0.71969%0.691SS**PPolyproline II helixtrans-51.2119.8170.300000105.9K257 H261K257-A259 PolarHBondContact O-N 2.81Å; A259-H261 PolarHBondContact O-N 2.8Å
260L41.6Very low52.2Low167 Ų167120.9 Ų120.987%0.87470%0.703SS**  trans-49.5107.6174.8-112.7118.8000106P258 A262P258-L260 PolarHBondContact O-N 2.88Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 3.02Å
261H46.3Very low49.5Very low175 Ų175131 Ų13181%0.8175%0.75SS**  trans-53.3112.3163.1-81.2-69.6000104.5A259 V263A259-H261 PolarHBondContact O-N 2.8Å; H261-V263 VanDerWaalsContact C-N 3.3Å; H261-V263 PolarHBondContact O-N 3.05Å
262A40.5Very low47.6Very low91 Ų91135.7 Ų135.775%0.75278%0.779SS**  trans-53106.7170.200000105.4L260 H264L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 3.02Å; A262-H264 VanDerWaalsContact C-N 3.33Å; A262-H264 PolarHBondContact O-N 3.26Å
263V40.4Very low45.7Very low124 Ų124138.9 Ų138.975%0.75279%0.788SS**  trans-55.2106.1170172.40000104.2H261 P265H261-V263 VanDerWaalsContact C-N 3.3Å; H261-V263 PolarHBondContact O-N 3.05Å; V263-P265 VanDerWaalsContact O-CD 3.3Å; V263-P265 WeakPolarHBondContact O-CD 3.24Å; V263-P265 VanDerWaalsContact O-N 3.08Å
264H37.9Very low43.8Very low172 Ų172137.6 Ų137.680%0.79680%0.798SS**  trans-53.1118.2163.3-107-68.5000105.3A262 A266A262-H264 VanDerWaalsContact C-N 3.33Å; A262-H264 PolarHBondContact O-N 3.26Å; H264-A266 PolarHBondContact O-N 3.49Å
265P38Very low42.2Very low109 Ų109136.9 Ų136.971%0.70880%0.804SS**  trans-61120.7175.224.3-29.6000106.1V263 G267V263-P265 VanDerWaalsContact O-CD 3.3Å; V263-P265 WeakPolarHBondContact O-CD 3.24Å; V263-P265 VanDerWaalsContact O-N 3.08Å; P265-G267 PolarHBondContact O-N 2.97Å
266A37.6Very low41.1Very low88 Ų88139.1 Ų139.173%0.72781%0.813SS**  trans-51.3112.3172.200000107.5H264 T268H264-A266 PolarHBondContact O-N 3.49Å; A266-T268 PolarHBondContact O-N 2.96Å
267G35.5Very low40.1Very low78 Ų78139.2 Ų139.280%0.80482%0.824SS**  trans-52.4111.1174.200000108.6P265 K269P265-G267 PolarHBondContact O-N 2.97Å; G267-K269 PolarHBondContact O-N 3.48Å
268T35.9Very low39.8Very low137 Ų137135.2 Ų135.284%0.8482%0.823SS**  trans-66128.8175.1-46.70000107.7A266 A270A266-T268 PolarHBondContact O-N 2.96Å; T268-A270 PolarHBondContact O-N 3.03Å
269K39.4Very low39.2Very low199 Ų199136.4 Ų136.487%0.86583%0.826SS**  trans-53.4132.5165.8-66.7175.4174.2-179.50109.8G267G267-K269 PolarHBondContact O-N 3.48Å
270A34.5Very low38.5Very low92 Ų92140.5 Ų140.576%0.7684%0.835SS**  trans-166.3123.8147.200000111T268T268-A270 PolarHBondContact O-N 3.03Å
271L34.4Very low38.2Very low254 Ų254138.1 Ų138.1100%1.3383%0.831SS**  trans74.80167.8-72.5143.9000118.3

Retrieved 271 of 271 residues in 139.7 ms (Link to these results)