A0A077ZJX4_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 333 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M31.3Very low35.1Very low243 Ų243153.5 Ų153.5100%1.19785%0.85SS**  099.10-71.5-174.8-167.300109.4
2S33.8Very low36.5Very low126 Ų126151.8 Ų151.888%0.88184%0.836SS**  trans169.1112140.848.60000107.9
3S32.7Very low38.1Very low111 Ų111144 Ų14478%0.77679%0.792SS**  trans-66.9138.5178.847.90000112.4
4L34.7Very low39.9Very low165 Ų165137.2 Ų137.286%0.86475%0.754SS**  trans-139.292.1154.1-98.7155.7000109.7
5N36.3Very low41.4Very low138 Ų138136.7 Ų136.774%0.73874%0.744SS**  trans58.295.1139.1-65.6-13.7000120.2S7N5-S7 PolarHBondContact O-N 3.18Å
6S32Very low42.9Very low115 Ų115132.1 Ų132.180%0.80472%0.719SS**  trans-53.1113.9143.452.80000112.3
7S35.6Very low44.4Very low118 Ų118124.9 Ų124.983%0.82568%0.679SS**  trans-16925157.3-79.80000114.2N5N5-S7 PolarHBondContact O-N 3.18Å
8I37Very low45.6Very low172 Ų172121.7 Ų121.788%0.88266%0.661SS**  trans-121.288.2174.8-56.6175.7000107.4
9D31.1Very low46.5Very low158 Ų158123.1 Ų123.185%0.84566%0.662SS**  trans-138.8137.4171.7-145.4-11.5000108.9
10K36.4Very low47.4Very low174 Ų174118 Ų11876%0.75764%0.636SS**SBendtrans89.872.6-174.4-51.8-179.5-176.2-177.90117.3
11H45.1Very low48.9Very low169 Ų169115.6 Ų115.678%0.78263%0.629SS**SBend174.5126.4115.8-89.1-64.7000109.4
12I51.9Low51.5Low133 Ų133105.5 Ų105.568%0.68258%0.581SS**  trans-42.9143.7177.2-65.3153.9000112.6
13D58.1Low54Low50 Ų5099.6 Ų99.627%0.26754%0.539SS..  cis-158.796.9-41.6-168.3-12000104.1Q15 D16 L17D13-Q15 PolarHBondContact O-N 2.75Å; D13-Q15 VanDerWaalsContact OD1-CA 3.24Å; D13-Q15 WeakPolarHBondContact OD1-CA 3.39Å; D13-Q15 WeakPolarHBondContact OD1-CB 3.46Å; D13-Q15 PolarHBondContact OD1-N 3.46Å; D13-D16 HydrophobicContact CB-CB 3.52Å; D13-D16 WeakPolarHBondContact CB-OD2 3.45Å; D13-D16 CarbonylContact O-C 3.44Å; D13-D16 WeakPolarHBondContact O-CA 3.36Å; D13-D16 PolarHBondContact O-N 3.19Å; D13-D16 PolarHBondContact OD1-N 3.08Å; D13-D16 VanDerWaalsContact OD2-OD1 3.12Å; D13-L17 PolarHBondContact O-N 3.01Å
14I63.2Low56.5Low49 Ų4996.6 Ų96.625%0.25152%0.518SS..Hα-helixtrans-56.7-33.9171.7-75.6165000109L17 I18 L40 L59 P60I14-L17 PolarHBondContact O-N 3.01Å; I14-I18 HydrophobicContact CG2-CD1 3.73Å; I14-I18 HydrophobicContact CG2-CG1 4.4Å; I14-I18 WeakPolarHBondContact O-CB 3.14Å; I14-I18 WeakPolarHBondContact O-CD1 3.32Å; I14-I18 WeakPolarHBondContact O-CG1 3.2Å; I14-I18 PolarHBondContact O-N 3.23Å; I14-L40 HydrophobicContact CG2-CD1 3.39Å; I14-L59 HydrophobicContact CD1-CD2 3.3Å; I14-L59 HydrophobicContact CG1-CD2 4.47Å; I14-P60 HydrophobicContact CD1-CG 4.47Å; I14-P60 HydrophobicContact CG1-CG 4.44Å
15Q62.2Low58.9Low129 Ų12995.3 Ų95.360%0.60351%0.512SS*.Hα-helixtrans-65-43.8173.5-49.2-175-14.800109.2D13 L17 I18 H19D13-Q15 PolarHBondContact O-N 2.75Å; D13-Q15 VanDerWaalsContact OD1-CA 3.24Å; D13-Q15 WeakPolarHBondContact OD1-CA 3.39Å; D13-Q15 WeakPolarHBondContact OD1-CB 3.46Å; D13-Q15 PolarHBondContact OD1-N 3.46Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-L17 PolarHBondContact O-N 2.84Å; Q15-I18 CarbonylContact O-C 3.54Å; Q15-I18 PolarHBondContact O-N 2.69Å; Q15-I18 VanDerWaalsContact O-N 3.12Å; Q15-H19 VanDerWaalsContact C-ND1 3.29Å; Q15-H19 WeakPolarHBondContact O-CB 3.39Å; Q15-H19 PolarHBondContact O-N 3.31Å; Q15-H19 PolarHBondContact O-ND1 2.97Å
16D65.8Low61.5Low64 Ų6490.1 Ų90.134%0.34248%0.482SS..Hα-helixtrans-63-35.2174.8-68.5-32.4000112.6D13 I18 H19 S20D13-D16 HydrophobicContact CB-CB 3.52Å; D13-D16 WeakPolarHBondContact CB-OD2 3.45Å; D13-D16 CarbonylContact O-C 3.44Å; D13-D16 WeakPolarHBondContact O-CA 3.36Å; D13-D16 PolarHBondContact O-N 3.19Å; D13-D16 PolarHBondContact OD1-N 3.08Å; D13-D16 VanDerWaalsContact OD2-OD1 3.12Å; D16-I18 VanDerWaalsContact C-N 3.3Å; D16-H19 CarbonylContact O-C 3.39Å; D16-H19 PolarHBondContact O-N 3.44Å; D16-S20 WeakPolarHBondContact O-CA 3.25Å; D16-S20 WeakPolarHBondContact O-CB 3.38Å; D16-S20 PolarHBondContact O-N 3.48Å; D16-S20 PolarHBondContact O-OG 3.12Å
17L67.7Low64.4Low9 Ų984.6 Ų84.65%0.04744%0.444CS..Hα-helixtrans-63.1-42174.5-173.673.1000110.6D13 I14 Q15 S20 V23 V57 Y92 I95D13-L17 PolarHBondContact O-N 3.01Å; I14-L17 PolarHBondContact O-N 3.01Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-L17 PolarHBondContact O-N 2.84Å; L17-S20 WeakPolarHBondContact CA-OG 3.41Å; L17-S20 PolarHBondContact O-N 3.25Å; L17-S20 PolarHBondContact O-OG 3.32Å; L17-V23 HydrophobicContact CD1-CG2 3.78Å; L17-V23 HydrophobicContact CG-CG2 4.46Å; L17-V57 HydrophobicContact CD2-CG1 3.7Å; L17-V57 HydrophobicContact CD2-CG2 4.15Å; L17-Y92 HydrophobicContact CD1-CD1 3.75Å; L17-Y92 HydrophobicContact CD1-CE1 4.21Å; L17-I95 HydrophobicContact CB-CD1 4.29Å; L17-I95 HydrophobicContact CD2-CD1 4.25Å; L17-I95 HydrophobicContact CD2-CG2 4.36Å
18I65.4Low67Low68 Ų6882.8 Ų82.835%0.34942%0.422SS..Hα-helixtrans-70.4-36177.1-66.2168.5000111.3I14 Q15 D16 L40 F42I14-I18 HydrophobicContact CG2-CD1 3.73Å; I14-I18 HydrophobicContact CG2-CG1 4.4Å; I14-I18 WeakPolarHBondContact O-CB 3.14Å; I14-I18 WeakPolarHBondContact O-CD1 3.32Å; I14-I18 WeakPolarHBondContact O-CG1 3.2Å; I14-I18 PolarHBondContact O-N 3.23Å; Q15-I18 CarbonylContact O-C 3.54Å; Q15-I18 PolarHBondContact O-N 2.69Å; Q15-I18 VanDerWaalsContact O-N 3.12Å; D16-I18 VanDerWaalsContact C-N 3.3Å; I18-L40 HydrophobicContact CD1-CD1 4.4Å; I18-F42 HydrophobicContact CD1-CE1 4.48Å; I18-F42 HydrophobicContact CD1-CZ 4.3Å; I18-F42 HydrophobicContact CG1-CE1 3.85Å; I18-F42 HydrophobicContact CG1-CZ 3.78Å
19H63.3Low69.4Low147 Ų14775.8 Ų75.868%0.68139%0.386SS*.Hα-helixtrans-76.2-28176.7-7396.3000111.7Q15 D16 S21Q15-H19 VanDerWaalsContact C-ND1 3.29Å; Q15-H19 WeakPolarHBondContact O-CB 3.39Å; Q15-H19 PolarHBondContact O-N 3.31Å; Q15-H19 PolarHBondContact O-ND1 2.97Å; D16-H19 CarbonylContact O-C 3.39Å; D16-H19 PolarHBondContact O-N 3.44Å; H19-S21 PolarHBondContact O-N 3.42Å
20S64.6Low71.8Confident22 Ų2271.7 Ų71.715%0.15436%0.362CS..SBendtrans-72.3108167.871.50000107.6D16 L17 T22D16-S20 WeakPolarHBondContact O-CA 3.25Å; D16-S20 WeakPolarHBondContact O-CB 3.38Å; D16-S20 PolarHBondContact O-N 3.48Å; D16-S20 PolarHBondContact O-OG 3.12Å; L17-S20 WeakPolarHBondContact CA-OG 3.41Å; L17-S20 PolarHBondContact O-N 3.25Å; L17-S20 PolarHBondContact O-OG 3.32Å; S20-T22 PolarHBondContact O-N 2.89Å; S20-T22 VanDerWaalsContact O-N 3.08Å
21S78Confident73.4Confident68 Ų6868 Ų6848%0.47635%0.351SS..SBendtrans-62.4-17.1179.452.80000112.7H19 Q28 I29H19-S21 PolarHBondContact O-N 3.42Å; S21-Q28 CarbonylContact O-C 3.52Å; S21-Q28 WeakPolarHBondContact O-CA 3.29Å; S21-Q28 VanDerWaalsContact O-CG 3.28Å; S21-Q28 WeakPolarHBondContact O-CG 3.49Å; S21-I29 PolarHBondContact O-N 3.3Å
22T85.8Confident74.3Confident31 Ų3164.1 Ų64.119%0.1933%0.333CS..EExtended strand (participates in β ladder)trans-135.9127-174.8-51.30000112.1S20 F27S20-T22 PolarHBondContact O-N 2.89Å; S20-T22 VanDerWaalsContact O-N 3.08Å; T22-F27 CarbonylContact C-O 3.44Å; T22-F27 WeakPolarHBondContact CA-O 3.12Å
23V86.7Confident74.8Confident1 Ų159.6 Ų59.61%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-94.2132.7174.3-177.60000109.9L17 D25 R26 F27 I29 M55 Y92 Y97L17-V23 HydrophobicContact CD1-CG2 3.78Å; L17-V23 HydrophobicContact CG-CG2 4.46Å; V23-D25 PolarHBondContact O-N 3.33Å; V23-D25 VanDerWaalsContact O-N 3.14Å; V23-R26 PolarHBondContact O-N 2.71Å; V23-R26 VanDerWaalsContact O-N 3.11Å; V23-F27 HydrophobicContact CB-CB 4.49Å; V23-F27 PolarHBondContact N-O 3.48Å; V23-F27 PolarHBondContact O-N 3.28Å; V23-I29 HydrophobicContact CG2-CD1 3.95Å; V23-I29 HydrophobicContact CG2-CG1 4.24Å; V23-M55 HydrophobicContact CB-CE 3.87Å; V23-M55 HydrophobicContact CB-SD 4.31Å; V23-M55 HydrophobicContact CG1-CE 4.04Å; V23-M55 HydrophobicContact CG1-SD 4.37Å; V23-M55 HydrophobicContact CG2-CE 4.11Å; V23-M55 HydrophobicContact CG2-SD 3.94Å; V23-Y92 HydrophobicContact CG1-CD1 3.98Å; V23-Y92 HydrophobicContact CG1-CG 3.89Å; V23-Y97 HydrophobicContact CG1-CD1 4.01Å; V23-Y97 HydrophobicContact CG1-CE1 4.12Å; V23-Y97 HydrophobicContact CG1-CG 4.33Å
24S85.5Confident75Confident49 Ų4959.6 Ų59.634%0.34331%0.312SS..THydrogen-bonded Turntrans50.435.6179.3-167.50000114.5R26S24-R26 PolarHBondContact O-N 2.88Å
25D85Confident74.8Confident137 Ų13760.8 Ų60.873%0.73332%0.324SS*.THydrogen-bonded Turntrans53.221.2-178.5-54.2-39.4000114.4V23V23-D25 PolarHBondContact O-N 3.33Å; V23-D25 VanDerWaalsContact O-N 3.14Å
26R91.2Very high74.4Confident29 Ų2955.3 Ų55.311%0.10930%0.302CS..THydrogen-bonded Turntrans-131.9-53.5-175-178.6178.8-179.3178.85.1112.5V23 S24 D46 N47 K48 E49 E88V23-R26 PolarHBondContact O-N 2.71Å; V23-R26 VanDerWaalsContact O-N 3.11Å; S24-R26 PolarHBondContact O-N 2.88Å; R26-D46 WeakPolarHBondContact CG-OD1 3.12Å; R26-D46 IonicContact CZ-OD1 3.06Å; R26-D46 IonicContact CZ-OD2 3.36Å; R26-D46 VanDerWaalsContact NE-CG 3.28Å; R26-D46 IonicContact NE-OD1 3.34Å; R26-D46 PolarHBondContact NE-OD1 2.94Å; R26-D46 IonicContact NE-OD2 2.87Å; R26-D46 PolarHBondContact NE-OD2 3.37Å; R26-D46 IonicContact NH2-OD1 2.68Å; R26-D46 IonicContact NH2-OD2 2.77Å; R26-D46 PolarHBondContact NH2-OD2 3.41Å; R26-N47 VanDerWaalsContact O-CB 3.27Å; R26-N47 WeakPolarHBondContact O-CB 3.28Å; R26-N47 VanDerWaalsContact O-CG 3.25Å; R26-N47 PolarHBondContact O-N 3.43Å; R26-N47 PolarHBondContact O-ND2 2.61Å; R26-K48 HydrophobicContact CG-CD 4.12Å; R26-K48 HydrophobicContact CG-CG 4.14Å; R26-E49 IonicContact NH2-OE1 3.29Å; R26-E49 PolarHBondContact NH2-OE1 3.37Å; R26-E49 IonicContact NH2-OE2 3.82Å; R26-E88 IonicContact NH1-OE2 3.18Å; R26-E88 PolarHBondContact NH1-OE2 2.55Å
27F91.9Very high73.8Confident0 Ų055.7 Ų55.70%030%0.303CS..EExtended strand (participates in β ladder)trans-97.6103.8-169.6-63.9-68.1000110.7T22 V23 V44 N45 D46 Y53 M55 I87 E88 Y97 V99T22-F27 CarbonylContact C-O 3.44Å; T22-F27 WeakPolarHBondContact CA-O 3.12Å; V23-F27 HydrophobicContact CB-CB 4.49Å; V23-F27 PolarHBondContact N-O 3.48Å; V23-F27 PolarHBondContact O-N 3.28Å; F27-V44 HydrophobicContact CB-CB 4.06Å; F27-V44 HydrophobicContact CB-CG1 4.46Å; F27-V44 HydrophobicContact CB-CG2 4.04Å; F27-V44 HydrophobicContact CD1-CG2 3.9Å; F27-V44 HydrophobicContact CG-CG2 4.26Å; F27-N45 CarbonylContact C-O 3.36Å; F27-N45 WeakPolarHBondContact CA-O 3.48Å; F27-D46 HydrophobicContact CD1-CB 3.99Å; F27-D46 HydrophobicContact CE1-CB 3.87Å; F27-Y53 HydrophobicContact CE1-CD2 4.48Å; F27-M55 HydrophobicContact CB-CE 3.5Å; F27-M55 HydrophobicContact CD2-CE 3.99Å; F27-M55 HydrophobicContact CG-CE 3.9Å; F27-I87 HydrophobicContact CZ-CG2 4.26Å; F27-E88 HydrophobicContact CE2-CB 4.38Å; F27-E88 HydrophobicContact CZ-CB 4.39Å; F27-Y97 HydrophobicContact CD2-CE2 4.43Å; F27-Y97 HydrophobicContact CE2-CE2 4.37Å; F27-V99 HydrophobicContact CD1-CG1 4.2Å; F27-V99 HydrophobicContact CD1-CG2 4.36Å; F27-V99 HydrophobicContact CD2-CG2 3.88Å; F27-V99 HydrophobicContact CE1-CB 4.4Å; F27-V99 HydrophobicContact CE1-CG1 3.76Å; F27-V99 HydrophobicContact CE1-CG2 4.21Å; F27-V99 HydrophobicContact CE2-CB 4.45Å; F27-V99 HydrophobicContact CE2-CG2 3.71Å; F27-V99 HydrophobicContact CG-CG2 4.2Å; F27-V99 HydrophobicContact CZ-CB 4.16Å; F27-V99 HydrophobicContact CZ-CG1 4Å; F27-V99 HydrophobicContact CZ-CG2 3.88Å
28Q91Very high73.4Confident80 Ų8060 Ų6037%0.37432%0.32SS..EExtended strand (participates in β ladder)trans-79.3119.9176.7-171.4178.70.800110.6S21 E30 V44 N45S21-Q28 CarbonylContact O-C 3.52Å; S21-Q28 WeakPolarHBondContact O-CA 3.29Å; S21-Q28 VanDerWaalsContact O-CG 3.28Å; S21-Q28 WeakPolarHBondContact O-CG 3.49Å; Q28-E30 PolarHBondContact O-N 2.9Å; Q28-V44 CarbonylContact O-C 3.52Å; Q28-V44 WeakPolarHBondContact O-CA 3.1Å; Q28-N45 HydrophobicContact CB-CB 4.46Å; Q28-N45 PolarHBondContact N-O 3.27Å; Q28-N45 PolarHBondContact O-N 3.27Å
29I87.5Confident73.5Confident24 Ų2457.2 Ų57.212%0.12331%0.308CS..EExtended strand (participates in β ladder)trans-69.7118.3175-60.8172.4000108.8S21 V23 F42 V44S21-I29 PolarHBondContact O-N 3.3Å; V23-I29 HydrophobicContact CG2-CD1 3.95Å; V23-I29 HydrophobicContact CG2-CG1 4.24Å; I29-F42 HydrophobicContact CD1-CD1 4.34Å; I29-F42 HydrophobicContact CG2-CB 4.28Å; I29-F42 HydrophobicContact CG2-CD1 3.68Å; I29-F42 HydrophobicContact CG2-CE1 4.4Å; I29-F42 HydrophobicContact CG2-CG 4.3Å; I29-V44 HydrophobicContact CG1-CG1 4.12Å
30E81.6Confident74.2Confident72 Ų7250.8 Ų50.834%0.33628%0.279SS..EExtended strand (participates in β ladder)trans-91.5-49.7175.2-70.8-167.2147.100111.5Q28 Q43 N45 K52Q28-E30 PolarHBondContact O-N 2.9Å; E30-Q43 PolarHBondContact N-O 3.27Å; E30-Q43 PolarHBondContact OE2-NE2 3.32Å; E30-N45 HydrophobicContact CG-CB 4.42Å; E30-N45 PolarHBondContact OE1-ND2 3.18Å; E30-K52 IonicContact OE1-NZ 3.45Å; E30-K52 PolarHBondContact OE1-NZ 3.13Å; E30-K52 WeakPolarHBondContact OE2-CE 3.44Å; E30-K52 IonicContact OE2-NZ 3.98Å; E30-K52 PolarHBondContact OE2-NZ 3.36Å
31D68.9Low75.1Confident97 Ų9750.5 Ų50.552%0.51928%0.275SS..EExtended strand (participates in β ladder)trans-139131.5-175.6-86.3-39.8000110.9V33 Q43D31-V33 HydrophobicContact CB-CG2 3.84Å; D31-Q43 PolarHBondContact O-N 3.33Å; D31-Q43 VanDerWaalsContact O-N 3.15Å
32H66.1Low75.4Confident87 Ų8747.3 Ų47.340%0.40325%0.252SS..EExtended strand (participates in β ladder)trans-81.3113.9160.8172.8-80.1000108.3F42H32-F42 HydrophobicContact CB-CD1 4.1Å; H32-F42 HydrophobicContact CB-CE1 3.93Å; H32-F42 AromaticContact CD2-CE1 3.43Å; H32-F42 VanDerWaalsContact CD2-CE1 3.43Å; H32-F42 WeakPolarHBondContact CD2-CE1 3.33Å; H32-F42 AromaticContact CD2-CZ 3.88Å
33V60.3Low75.5Confident39 Ų3947.2 Ų47.224%0.23625%0.25CC..EExtended strand (participates in β ladder)trans-107.2-34.8-171.8-1770000112.9D31 K41 M314D31-V33 HydrophobicContact CB-CG2 3.84Å; V33-K41 PolarHBondContact N-O 3.02Å; V33-M314 HydrophobicContact CB-CB 3.92Å; V33-M314 HydrophobicContact CB-CE 3.41Å; V33-M314 VanDerWaalsContact CB-CE 3.41Å; V33-M314 HydrophobicContact CB-CG 4.49Å; V33-M314 HydrophobicContact CG1-CB 3.66Å; V33-M314 HydrophobicContact CG1-CE 4.33Å; V33-M314 HydrophobicContact CG2-CB 4.35Å; V33-M314 HydrophobicContact CG2-CE 3.39Å; V33-M314 HydrophobicContact CG2-CG 4.41Å
34D62.8Low75.6Confident50 Ų5047.2 Ų47.227%0.26725%0.249SC..EExtended strand (participates in β ladder)trans-157.8145-178.4-148.5-17000114K41 M314 R315 A316D34-K41 PolarHBondContact O-N 3.21Å; D34-M314 WeakPolarHBondContact CB-O 3.28Å; D34-R315 VanDerWaalsContact OD2-CA 3.28Å; D34-R315 WeakPolarHBondContact OD2-CA 3.41Å; D34-A316 HydrophobicContact CB-CB 4.26Å; D34-A316 VanDerWaalsContact CG-CB 3.5Å; D34-A316 VanDerWaalsContact CG-N 3.26Å; D34-A316 WeakPolarHBondContact OD1-CB 3.34Å; D34-A316 PolarHBondContact OD2-N 3.35Å
35S59.3Low75.9Confident74 Ų7447 Ų4752%0.51725%0.245SC..EExtended strand (participates in β ladder)trans-116111.9175.8630000108.8
36G55Low76.3Confident14 Ų1440.9 Ų40.914%0.14421%0.212CC..EExtended strand (participates in β ladder)trans-98.6167.5173.900000111.8Y38 G39G36-Y38 PolarHBondContact O-N 2.89Å; G36-Y38 VanDerWaalsContact O-N 3.11Å; G36-G39 WeakPolarHBondContact CA-O 3.35Å; G36-G39 PolarHBondContact N-O 3.21Å; G36-G39 PolarHBondContact O-N 3.18Å
37I52.9Low76.1Confident71 Ų7143.7 Ų43.736%0.36423%0.229SC..THydrogen-bonded Turntrans-62-25175.3-86.657.5000111Q62 L319I37-Q62 VanDerWaalsContact O-CD 3.26Å; I37-Q62 PolarHBondContact O-NE2 3.16Å; I37-Q62 PolarHBondContact O-OE1 2.91Å; I37-L319 HydrophobicContact CB-CD2 4.09Å; I37-L319 HydrophobicContact CB-CG 4.22Å; I37-L319 HydrophobicContact CD1-CB 4.48Å; I37-L319 HydrophobicContact CD1-CD1 3.15Å; I37-L319 HydrophobicContact CD1-CD2 4.01Å; I37-L319 HydrophobicContact CD1-CG 3.25Å; I37-L319 HydrophobicContact CG1-CD1 3.46Å; I37-L319 VanDerWaalsContact CG1-CD1 3.46Å; I37-L319 HydrophobicContact CG1-CD2 3.56Å; I37-L319 HydrophobicContact CG1-CG 3.41Å; I37-L319 VanDerWaalsContact CG1-CG 3.41Å; I37-L319 HydrophobicContact CG2-CD2 4.3Å
38Y58.4Low76Confident99 Ų9951.2 Ų51.239%0.38826%0.262SS..THydrogen-bonded Turntrans-100.8-3.6-172-56.2-62.6000114.3G36 R66G36-Y38 PolarHBondContact O-N 2.89Å; G36-Y38 VanDerWaalsContact O-N 3.11Å; Y38-R66 VanDerWaalsContact CB-CZ 3.47Å
39G68.2Low75.6Confident10 Ų1052.4 Ų52.410%0.10327%0.267CS..EExtended strand (participates in β ladder)trans156.6171.7-172.100000113G36 V57G36-G39 WeakPolarHBondContact CA-O 3.35Å; G36-G39 PolarHBondContact N-O 3.21Å; G36-G39 PolarHBondContact O-N 3.18Å; G39-V57 CarbonylContact C-O 3.4Å; G39-V57 WeakPolarHBondContact CA-O 3.34Å
40L77.4Confident75.2Confident12 Ų1257.3 Ų57.36%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-102.1150.2174.9-57.2176.1000109.7I14 I18 F42 K56 V57 L59I14-L40 HydrophobicContact CG2-CD1 3.39Å; I18-L40 HydrophobicContact CD1-CD1 4.4Å; L40-F42 HydrophobicContact CB-CD2 4.34Å; L40-F42 HydrophobicContact CB-CE2 3.48Å; L40-F42 VanDerWaalsContact CB-CE2 3.48Å; L40-F42 HydrophobicContact CB-CZ 3.81Å; L40-F42 HydrophobicContact CD1-CE2 4.18Å; L40-F42 HydrophobicContact CD1-CZ 3.88Å; L40-F42 HydrophobicContact CG-CE2 4.49Å; L40-F42 HydrophobicContact CG-CZ 4.49Å; L40-K56 CarbonylContact O-C 3.48Å; L40-K56 WeakPolarHBondContact O-CA 3.43Å; L40-V57 HydrophobicContact CB-CB 4.4Å; L40-V57 PolarHBondContact N-O 2.76Å; L40-V57 PolarHBondContact O-N 2.79Å; L40-L59 HydrophobicContact CD1-CD2 4.3Å; L40-L59 HydrophobicContact CD2-CD2 4.39Å; L40-L59 HydrophobicContact CG-CD2 4Å
41K83.4Confident75.4Confident17 Ų1755.1 Ų55.17%0.07430%0.301CS..EExtended strand (participates in β ladder)trans-125.6127176.7-61.5-174.6176.9-171.60110.3V33 D34 M55 K56 S313 M314 R315V33-K41 PolarHBondContact N-O 3.02Å; D34-K41 PolarHBondContact O-N 3.21Å; K41-M55 CarbonylContact C-O 3.56Å; K41-M55 VanDerWaalsContact CA-O 3.3Å; K41-M55 WeakPolarHBondContact CA-O 3.43Å; K41-K56 HydrophobicContact CG-CG 4.29Å; K41-S313 WeakPolarHBondContact CD-O 3.1Å; K41-M314 HydrophobicContact CB-CE 4.38Å; K41-M314 WeakPolarHBondContact O-CE 3.42Å; K41-R315 VanDerWaalsContact CD-O 3.29Å; K41-R315 WeakPolarHBondContact CD-O 3.28Å; K41-R315 VanDerWaalsContact CE-O 3.28Å; K41-R315 WeakPolarHBondContact CE-O 3.15Å; K41-R315 PolarHBondContact NZ-O 2.9Å
42F83.7Confident76.4Confident0 Ų055.4 Ų55.40%030%0.297CS..EExtended strand (participates in β ladder)trans-123.2141.5-176.9-58.8-85.1000111.8I18 I29 H32 L40 V44 A54 M55 V57 M314I18-F42 HydrophobicContact CD1-CE1 4.48Å; I18-F42 HydrophobicContact CD1-CZ 4.3Å; I18-F42 HydrophobicContact CG1-CE1 3.85Å; I18-F42 HydrophobicContact CG1-CZ 3.78Å; I29-F42 HydrophobicContact CD1-CD1 4.34Å; I29-F42 HydrophobicContact CG2-CB 4.28Å; I29-F42 HydrophobicContact CG2-CD1 3.68Å; I29-F42 HydrophobicContact CG2-CE1 4.4Å; I29-F42 HydrophobicContact CG2-CG 4.3Å; H32-F42 HydrophobicContact CB-CD1 4.1Å; H32-F42 HydrophobicContact CB-CE1 3.93Å; H32-F42 AromaticContact CD2-CE1 3.43Å; H32-F42 VanDerWaalsContact CD2-CE1 3.43Å; H32-F42 WeakPolarHBondContact CD2-CE1 3.33Å; H32-F42 AromaticContact CD2-CZ 3.88Å; L40-F42 HydrophobicContact CB-CD2 4.34Å; L40-F42 HydrophobicContact CB-CE2 3.48Å; L40-F42 VanDerWaalsContact CB-CE2 3.48Å; L40-F42 HydrophobicContact CB-CZ 3.81Å; L40-F42 HydrophobicContact CD1-CE2 4.18Å; L40-F42 HydrophobicContact CD1-CZ 3.88Å; L40-F42 HydrophobicContact CG-CE2 4.49Å; L40-F42 HydrophobicContact CG-CZ 4.49Å; F42-V44 HydrophobicContact CB-CG1 4.06Å; F42-A54 WeakPolarHBondContact O-CA 3.44Å; F42-M55 HydrophobicContact CB-CB 4.31Å; F42-M55 PolarHBondContact N-O 3.16Å; F42-M55 PolarHBondContact O-N 3.3Å; F42-V57 HydrophobicContact CD2-CG2 3.8Å; F42-V57 HydrophobicContact CE2-CB 4.19Å; F42-V57 HydrophobicContact CE2-CG2 3.73Å; F42-M314 VanDerWaalsContact CA-CE 3.49Å
43Q87.8Confident77.6Confident30 Ų3052.6 Ų52.614%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-84.9128.2164.6-177.4177.9-66.600106.2E30 D31 Y53 M102 M314E30-Q43 PolarHBondContact N-O 3.27Å; E30-Q43 PolarHBondContact OE2-NE2 3.32Å; D31-Q43 PolarHBondContact O-N 3.33Å; D31-Q43 VanDerWaalsContact O-N 3.15Å; Q43-Y53 WeakPolarHBondContact CA-O 3.17Å; Q43-M102 HydrophobicContact CG-CE 4.3Å; Q43-M102 HydrophobicContact CG-SD 4.02Å; Q43-M314 HydrophobicContact CB-CE 4.09Å; Q43-M314 HydrophobicContact CB-SD 3.98Å
44V90.7Very high79.1Confident0 Ų050.9 Ų50.90%027%0.273CS..EExtended strand (participates in β ladder)trans-126.4140.9-177.9-56.30000110.9F27 Q28 I29 F42 K52 Y53 M55 V99F27-V44 HydrophobicContact CB-CB 4.06Å; F27-V44 HydrophobicContact CB-CG1 4.46Å; F27-V44 HydrophobicContact CB-CG2 4.04Å; F27-V44 HydrophobicContact CD1-CG2 3.9Å; F27-V44 HydrophobicContact CG-CG2 4.26Å; Q28-V44 CarbonylContact O-C 3.52Å; Q28-V44 WeakPolarHBondContact O-CA 3.1Å; I29-V44 HydrophobicContact CG1-CG1 4.12Å; F42-V44 HydrophobicContact CB-CG1 4.06Å; V44-K52 CarbonylContact O-C 3.56Å; V44-K52 WeakPolarHBondContact O-CA 3.46Å; V44-Y53 PolarHBondContact N-O 2.95Å; V44-Y53 PolarHBondContact O-N 3.2Å; V44-M55 HydrophobicContact CG1-CB 3.71Å; V44-M55 HydrophobicContact CG1-CE 4Å; V44-M55 HydrophobicContact CG1-SD 4.15Å; V44-M55 HydrophobicContact CG2-CB 4.15Å; V44-M55 HydrophobicContact CG2-CE 4.42Å; V44-V99 HydrophobicContact CG2-CG1 4.39Å
45N91.4Very high80.4Confident46 Ų4648.5 Ų48.525%0.24626%0.261CS..EExtended strand (participates in β ladder)trans-88.6136.2163.4-104.3-12.6000109F27 Q28 E30 G51 K52F27-N45 CarbonylContact C-O 3.36Å; F27-N45 WeakPolarHBondContact CA-O 3.48Å; Q28-N45 HydrophobicContact CB-CB 4.46Å; Q28-N45 PolarHBondContact N-O 3.27Å; Q28-N45 PolarHBondContact O-N 3.27Å; E30-N45 HydrophobicContact CG-CB 4.42Å; E30-N45 PolarHBondContact OE1-ND2 3.18Å; N45-G51 PolarHBondContact OD1-O 3.46Å; N45-K52 VanDerWaalsContact OD1-CG 3.31Å; N45-K52 WeakPolarHBondContact OD1-CG 3.47Å
46D92.2Very high81.9Confident8 Ų845.6 Ų45.64%0.04324%0.238CC..EExtended strand (participates in β ladder)trans-86.6121.1169-176.8-7.5000109.8R26 F27 K48 E49 G51 Y53R26-D46 WeakPolarHBondContact CG-OD1 3.12Å; R26-D46 IonicContact CZ-OD1 3.06Å; R26-D46 IonicContact CZ-OD2 3.36Å; R26-D46 VanDerWaalsContact NE-CG 3.28Å; R26-D46 IonicContact NE-OD1 3.34Å; R26-D46 PolarHBondContact NE-OD1 2.94Å; R26-D46 IonicContact NE-OD2 2.87Å; R26-D46 PolarHBondContact NE-OD2 3.37Å; R26-D46 IonicContact NH2-OD1 2.68Å; R26-D46 IonicContact NH2-OD2 2.77Å; R26-D46 PolarHBondContact NH2-OD2 3.41Å; F27-D46 HydrophobicContact CD1-CB 3.99Å; F27-D46 HydrophobicContact CE1-CB 3.87Å; D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 3.42Å; D46-K48 WeakPolarHBondContact OD1-CB 3.45Å; D46-K48 PolarHBondContact OD1-N 2.91Å; D46-E49 CarbonylContact C-O 3.57Å; D46-E49 VanDerWaalsContact CB-O 3.28Å; D46-E49 WeakPolarHBondContact CB-O 3.39Å; D46-E49 PolarHBondContact OD1-N 3.09Å; D46-G51 PolarHBondContact N-O 2.97Å; D46-G51 VanDerWaalsContact N-O 3.1Å; D46-Y53 HydrophobicContact CB-CD2 3.75Å; D46-Y53 HydrophobicContact CB-CE2 3.46Å; D46-Y53 VanDerWaalsContact CB-CE2 3.46Å
47N88.8Confident83.4Confident87 Ų8745 Ų4547%0.46523%0.232SC..SBendtrans-76.2-13-179.8-65.7-24.6000112.9R26R26-N47 VanDerWaalsContact O-CB 3.27Å; R26-N47 WeakPolarHBondContact O-CB 3.28Å; R26-N47 VanDerWaalsContact O-CG 3.25Å; R26-N47 PolarHBondContact O-N 3.43Å; R26-N47 PolarHBondContact O-ND2 2.61Å
48K88.5Confident84.7Confident159 Ų15942.3 Ų42.369%0.69122%0.218SC*.SBendtrans-96.2-41177.7-66.7-175.9-178.3178.20112.3R26 D46R26-K48 HydrophobicContact CG-CD 4.12Å; R26-K48 HydrophobicContact CG-CG 4.14Å; D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 3.42Å; D46-K48 WeakPolarHBondContact OD1-CB 3.45Å; D46-K48 PolarHBondContact OD1-N 2.91Å
49E83Confident85.3Confident104 Ų10439.6 Ų39.649%0.48621%0.21SC..SBendtrans-117.5123.5179.5-64.8172.9-152.100108.3R26 D46 G51R26-E49 IonicContact NH2-OE1 3.29Å; R26-E49 PolarHBondContact NH2-OE1 3.37Å; R26-E49 IonicContact NH2-OE2 3.82Å; D46-E49 CarbonylContact C-O 3.57Å; D46-E49 VanDerWaalsContact CB-O 3.28Å; D46-E49 WeakPolarHBondContact CB-O 3.39Å; D46-E49 PolarHBondContact OD1-N 3.09Å; E49-G51 PolarHBondContact O-N 3.27Å
50S79.8Confident85.2Confident128 Ų12841.2 Ų41.290%0.89522%0.219SC*.SBendtrans-60.4110.7178.554.80000110.4
51G85.7Confident84.5Confident26 Ų2648.1 Ų48.127%0.26825%0.251SS..  trans172.3153.8179.500000114N45 D46 E49N45-G51 PolarHBondContact OD1-O 3.46Å; D46-G51 PolarHBondContact N-O 2.97Å; D46-G51 VanDerWaalsContact N-O 3.1Å; E49-G51 PolarHBondContact O-N 3.27Å
52K89.2Confident83.5Confident103 Ų10350.3 Ų50.345%0.44826%0.261SS..EExtended strand (participates in β ladder)trans-98.9135172.7-65.6-174180-1380110.2E30 V44 N45 M102E30-K52 IonicContact OE1-NZ 3.45Å; E30-K52 PolarHBondContact OE1-NZ 3.13Å; E30-K52 WeakPolarHBondContact OE2-CE 3.44Å; E30-K52 IonicContact OE2-NZ 3.98Å; E30-K52 PolarHBondContact OE2-NZ 3.36Å; V44-K52 CarbonylContact O-C 3.56Å; V44-K52 WeakPolarHBondContact O-CA 3.46Å; N45-K52 VanDerWaalsContact OD1-CG 3.31Å; N45-K52 WeakPolarHBondContact OD1-CG 3.47Å; K52-M102 HydrophobicContact CB-SD 3.62Å
53Y91.7Very high82.2Confident27 Ų2761.3 Ų61.311%0.10630%0.303CS..EExtended strand (participates in β ladder)trans-131.4162.6-176.9-60.6-78.8000111F27 Q43 V44 D46 I87 V99 L100 T101F27-Y53 HydrophobicContact CE1-CD2 4.48Å; Q43-Y53 WeakPolarHBondContact CA-O 3.17Å; V44-Y53 PolarHBondContact N-O 2.95Å; V44-Y53 PolarHBondContact O-N 3.2Å; D46-Y53 HydrophobicContact CB-CD2 3.75Å; D46-Y53 HydrophobicContact CB-CE2 3.46Å; D46-Y53 VanDerWaalsContact CB-CE2 3.46Å; Y53-I87 HydrophobicContact CD1-CD1 4.12Å; Y53-I87 HydrophobicContact CD1-CG1 3.68Å; Y53-I87 HydrophobicContact CE1-CD1 3.66Å; Y53-I87 HydrophobicContact CE1-CG1 3.73Å; Y53-V99 HydrophobicContact CD1-CG1 4.48Å; Y53-V99 HydrophobicContact CG-CG1 4.03Å; Y53-L100 WeakPolarHBondContact CB-O 3.4Å; Y53-T101 HydrophobicContact CE1-CG2 4.44Å
54A90.7Very high81.1Confident3 Ų369.6 Ų69.63%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-101.2128169.800000109.6F42 V99 L100 M102 M314F42-A54 WeakPolarHBondContact O-CA 3.44Å; A54-V99 CarbonylContact O-C 3.51Å; A54-V99 WeakPolarHBondContact O-CA 3.25Å; A54-L100 PolarHBondContact N-O 3.33Å; A54-L100 PolarHBondContact O-N 3.08Å; A54-M102 HydrophobicContact CB-CG 4.39Å; A54-M314 HydrophobicContact CB-SD 4.1Å
55M91.2Very high80.4Confident1 Ų174.8 Ų74.81%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-109.8122.7174.9178.5-176.9-73.900109.9V23 F27 K41 F42 V44 V57 Y97 L98 V99V23-M55 HydrophobicContact CB-CE 3.87Å; V23-M55 HydrophobicContact CB-SD 4.31Å; V23-M55 HydrophobicContact CG1-CE 4.04Å; V23-M55 HydrophobicContact CG1-SD 4.37Å; V23-M55 HydrophobicContact CG2-CE 4.11Å; V23-M55 HydrophobicContact CG2-SD 3.94Å; F27-M55 HydrophobicContact CB-CE 3.5Å; F27-M55 HydrophobicContact CD2-CE 3.99Å; F27-M55 HydrophobicContact CG-CE 3.9Å; K41-M55 CarbonylContact C-O 3.56Å; K41-M55 VanDerWaalsContact CA-O 3.3Å; K41-M55 WeakPolarHBondContact CA-O 3.43Å; F42-M55 HydrophobicContact CB-CB 4.31Å; F42-M55 PolarHBondContact N-O 3.16Å; F42-M55 PolarHBondContact O-N 3.3Å; V44-M55 HydrophobicContact CG1-CB 3.71Å; V44-M55 HydrophobicContact CG1-CE 4Å; V44-M55 HydrophobicContact CG1-SD 4.15Å; V44-M55 HydrophobicContact CG2-CB 4.15Å; V44-M55 HydrophobicContact CG2-CE 4.42Å; M55-V57 HydrophobicContact CG-CG2 3.92Å; M55-V57 HydrophobicContact SD-CG2 4.06Å; M55-Y97 HydrophobicContact CE-CD2 4.09Å; M55-L98 CarbonylContact C-O 3.45Å; M55-L98 WeakPolarHBondContact CA-O 3.45Å; M55-V99 HydrophobicContact CB-CG2 4.42Å; M55-V99 HydrophobicContact CE-CG2 3.74Å; M55-V99 HydrophobicContact CG-CG2 4.34Å
56K89.7Confident80Confident12 Ų1274.1 Ų74.15%0.05236%0.355CS..EExtended strand (participates in β ladder)trans-95.6143167.3-56-174.1-177.5-177.90109.4L40 K41 L67 E70 Y97 L98 V167L40-K56 CarbonylContact O-C 3.48Å; L40-K56 WeakPolarHBondContact O-CA 3.43Å; K41-K56 HydrophobicContact CG-CG 4.29Å; K56-L67 HydrophobicContact CB-CD1 4.44Å; K56-L67 HydrophobicContact CB-CD2 3.69Å; K56-L67 HydrophobicContact CD-CD2 4.21Å; K56-E70 IonicContact NZ-OE1 3.02Å; K56-E70 PolarHBondContact NZ-OE1 3.1Å; K56-E70 IonicContact NZ-OE2 2.9Å; K56-Y97 CarbonylContact O-C 3.51Å; K56-Y97 VanDerWaalsContact O-CA 3.23Å; K56-Y97 WeakPolarHBondContact O-CA 3.47Å; K56-L98 HydrophobicContact CB-CB 4.45Å; K56-L98 PolarHBondContact N-O 2.78Å; K56-L98 PolarHBondContact O-N 3.45Å; K56-V167 PolarHBondContact NZ-O 2.96Å
57V86.6Confident79.9Confident3 Ų374 Ų742%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-134.4127.3-178.5-178.70000109.5L17 G39 L40 F42 M55 I95 D96L17-V57 HydrophobicContact CD2-CG1 3.7Å; L17-V57 HydrophobicContact CD2-CG2 4.15Å; G39-V57 CarbonylContact C-O 3.4Å; G39-V57 WeakPolarHBondContact CA-O 3.34Å; L40-V57 HydrophobicContact CB-CB 4.4Å; L40-V57 PolarHBondContact N-O 2.76Å; L40-V57 PolarHBondContact O-N 2.79Å; F42-V57 HydrophobicContact CD2-CG2 3.8Å; F42-V57 HydrophobicContact CE2-CB 4.19Å; F42-V57 HydrophobicContact CE2-CG2 3.73Å; M55-V57 HydrophobicContact CG-CG2 3.92Å; M55-V57 HydrophobicContact SD-CG2 4.06Å; V57-I95 HydrophobicContact CG1-CG2 3.17Å; V57-D96 WeakPolarHBondContact CA-O 3.34Å
58D80.7Confident80Confident13 Ų1375.9 Ų75.97%0.0736%0.355CS..  trans-78.4138.7177.5-95.5-16.6000109.7L67 D96D58-L67 HydrophobicContact CB-CD1 3.89Å; D58-L67 HydrophobicContact CB-CG 4.21Å; D58-L67 VanDerWaalsContact CG-CG 3.45Å; D58-L67 PolarHBondContact OD2-N 3.13Å; D58-D96 HydrophobicContact CB-CB 4.46Å; D58-D96 PolarHBondContact N-O 3.04Å; D58-D96 VanDerWaalsContact N-O 3.15Å
59L71.8Confident80.2Confident42 Ų4271.4 Ų71.422%0.2234%0.336CS..  trans-71.8136.2174.8-62.3173.5000109.6I14 L40 H61 Q62I14-L59 HydrophobicContact CD1-CD2 3.3Å; I14-L59 HydrophobicContact CG1-CD2 4.47Å; L40-L59 HydrophobicContact CD1-CD2 4.3Å; L40-L59 HydrophobicContact CD2-CD2 4.39Å; L40-L59 HydrophobicContact CG-CD2 4Å; L59-H61 PolarHBondContact O-N 3.16Å; L59-Q62 HydrophobicContact CB-CG 4.31Å; L59-Q62 PolarHBondContact O-N 3.31Å
60P64.9Low80.7Confident44 Ų4466.6 Ų66.629%0.28631%0.313SS..THydrogen-bonded Turntrans-55-28-174-28.334.3000115.3I14 Q62 I95I14-P60 HydrophobicContact CD1-CG 4.47Å; I14-P60 HydrophobicContact CG1-CG 4.44Å; P60-Q62 VanDerWaalsContact C-N 3.28Å; P60-Q62 PolarHBondContact O-N 2.85Å; P60-I95 HydrophobicContact CG-CG1 4.46Å
61H64.3Low81.4Confident157 Ų15760.7 Ų60.773%0.72727%0.272SS*.THydrogen-bonded Turntrans-81.8-4.7179.7-55.6-51.1000113.7L59L59-H61 PolarHBondContact O-N 3.16Å
62Q61.7Low81.8Confident63 Ų6362.9 Ų62.929%0.29427%0.274SS..  trans-106.865.4179.7-59.2-158.9-600110.2I37 L59 P60 R64I37-Q62 VanDerWaalsContact O-CD 3.26Å; I37-Q62 PolarHBondContact O-NE2 3.16Å; I37-Q62 PolarHBondContact O-OE1 2.91Å; L59-Q62 HydrophobicContact CB-CG 4.31Å; L59-Q62 PolarHBondContact O-N 3.31Å; P60-Q62 VanDerWaalsContact C-N 3.28Å; P60-Q62 PolarHBondContact O-N 2.85Å; Q62-R64 PolarHBondContact O-N 3.33Å
63R56.2Low82.2Confident232 Ų23258 Ų5888%0.87525%0.253SS*.  trans-68.251.3178.4-67.3-169.6170.3-167.1-2.6114
64R63.9Low82.4Confident204 Ų20456.9 Ų56.977%0.7725%0.249SC*.SBendtrans-106.511.5-177.3-72.9-170.7173.6179.1-5.5114Q62 R66Q62-R64 PolarHBondContact O-N 3.33Å; R64-R66 PolarHBondContact O-N 2.9Å
65N76.9Confident82.7Confident108 Ų10862.1 Ų62.158%0.57827%0.271SS*.  trans47.736.3-177-63.4-14.6000111.5Y68 K69N65-Y68 PolarHBondContact O-N 3.23Å; N65-K69 WeakPolarHBondContact O-CB 3.5Å; N65-K69 PolarHBondContact O-N 3.42Å
66R83.7Confident82.9Confident33 Ų3368 Ų6813%0.12529%0.293CS..Hα-helixtrans-71-49.4-169.6178.1-173.1165.7139.6-5.3109.7Y38 R64 Y68 K69 E70 D168 G170Y38-R66 VanDerWaalsContact CB-CZ 3.47Å; R64-R66 PolarHBondContact O-N 2.9Å; R66-Y68 VanDerWaalsContact C-N 3.3Å; R66-Y68 PolarHBondContact O-N 3.34Å; R66-K69 PolarHBondContact O-N 3.43Å; R66-E70 PolarHBondContact O-N 2.99Å; R66-D168 IonicContact NH2-OD1 2.73Å; R66-D168 PolarHBondContact NH2-OD1 2.92Å; R66-D168 VanDerWaalsContact NH2-OD1 3.1Å; R66-D168 IonicContact NH2-OD2 3.24Å; R66-G170 VanDerWaalsContact CZ-CA 3.48Å
67L88.7Confident83.2Confident4 Ų467.7 Ų67.72%0.02129%0.293CS..Hα-helixtrans-63.8-36.2176.2-74.4-178.4000112.6K56 D58 K69 E70 A71 Y89 D96 L98K56-L67 HydrophobicContact CB-CD1 4.44Å; K56-L67 HydrophobicContact CB-CD2 3.69Å; K56-L67 HydrophobicContact CD-CD2 4.21Å; D58-L67 HydrophobicContact CB-CD1 3.89Å; D58-L67 HydrophobicContact CB-CG 4.21Å; D58-L67 VanDerWaalsContact CG-CG 3.45Å; D58-L67 PolarHBondContact OD2-N 3.13Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.44Å; L67-E70 PolarHBondContact O-N 3.35Å; L67-A71 VanDerWaalsContact O-CB 3.28Å; L67-A71 WeakPolarHBondContact O-CB 3.35Å; L67-A71 PolarHBondContact O-N 3.21Å; L67-Y89 HydrophobicContact CB-CE2 4.21Å; L67-D96 HydrophobicContact CD1-CB 4.41Å; L67-D96 WeakPolarHBondContact CD1-O 3.32Å; L67-L98 HydrophobicContact CD1-CB 4.48Å; L67-L98 HydrophobicContact CD2-CB 4.03Å; L67-L98 HydrophobicContact CD2-CD2 4.18Å
68Y91.3Very high83.6Confident127 Ų12771.5 Ų71.550%0.49832%0.319SS..Hα-helixtrans-58.9-46.4173.3179.6-93.9000111.7N65 R66 A71 F72 Y89N65-Y68 PolarHBondContact O-N 3.23Å; R66-Y68 VanDerWaalsContact C-N 3.3Å; R66-Y68 PolarHBondContact O-N 3.34Å; Y68-A71 PolarHBondContact O-N 2.91Å; Y68-F72 WeakPolarHBondContact O-CB 3.27Å; Y68-F72 PolarHBondContact O-N 2.83Å; Y68-Y89 HydrophobicContact CD2-CD1 4.45Å; Y68-Y89 AromaticContact CD2-CE1 3.7Å; Y68-Y89 HydrophobicContact CD2-CE1 3.7Å; Y68-Y89 AromaticContact CD2-CZ 3.87Å; Y68-Y89 HydrophobicContact CE2-CE1 4.46Å
69K91.8Very high84.3Confident66 Ų6678.2 Ų78.229%0.28736%0.355SS..Hα-helixtrans-63.8-43.4175.8174179.1168.1177.50112.2N65 R66 L67 F72 I73 A172N65-K69 WeakPolarHBondContact O-CB 3.5Å; N65-K69 PolarHBondContact O-N 3.42Å; R66-K69 PolarHBondContact O-N 3.43Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.44Å; K69-F72 WeakPolarHBondContact O-CB 3.49Å; K69-F72 PolarHBondContact O-N 3.29Å; K69-I73 HydrophobicContact CG-CD1 4.05Å; K69-I73 WeakPolarHBondContact O-CG1 3.47Å; K69-I73 PolarHBondContact O-N 3.03Å; K69-A172 WeakPolarHBondContact CE-O 3.2Å; K69-A172 PolarHBondContact NZ-O 3.11Å
70E93.8Very high85.4Confident3 Ų377.1 Ų77.11%0.01435%0.351CS..Hα-helixtrans-62-44.3176.8177.4157.2-155.500111.3K56 R66 L67 F72 I73 L74 L98 F169K56-E70 IonicContact NZ-OE1 3.02Å; K56-E70 PolarHBondContact NZ-OE1 3.1Å; K56-E70 IonicContact NZ-OE2 2.9Å; R66-E70 PolarHBondContact O-N 2.99Å; L67-E70 PolarHBondContact O-N 3.35Å; E70-F72 VanDerWaalsContact C-N 3.32Å; E70-F72 PolarHBondContact O-N 3.36Å; E70-I73 PolarHBondContact O-N 3.04Å; E70-L74 HydrophobicContact CG-CD1 3.91Å; E70-L74 WeakPolarHBondContact O-CB 3.48Å; E70-L74 WeakPolarHBondContact O-CG 3.36Å; E70-L74 PolarHBondContact O-N 2.85Å; E70-L98 HydrophobicContact CB-CD2 4.24Å; E70-L98 HydrophobicContact CG-CD2 3.7Å; E70-F169 HydrophobicContact CB-CB 4.46Å; E70-F169 HydrophobicContact CG-CB 4Å; E70-F169 HydrophobicContact CG-CD2 4.4Å; E70-F169 PolarHBondContact OE1-N 3.03Å
71A95Very high86.9Confident4 Ų479.2 Ų79.23%0.03336%0.364CS..Hα-helixtrans-59.4-40.8172.800000112.4L67 Y68 L74 K75 Y86 Y89 L98L67-A71 VanDerWaalsContact O-CB 3.28Å; L67-A71 WeakPolarHBondContact O-CB 3.35Å; L67-A71 PolarHBondContact O-N 3.21Å; Y68-A71 PolarHBondContact O-N 2.91Å; A71-L74 PolarHBondContact O-N 3.4Å; A71-K75 WeakPolarHBondContact O-CB 3.34Å; A71-K75 WeakPolarHBondContact O-CG 3.42Å; A71-K75 PolarHBondContact O-N 3.39Å; A71-Y86 HydrophobicContact CB-CD2 4.47Å; A71-Y86 HydrophobicContact CB-CE2 4.06Å; A71-Y89 HydrophobicContact CB-CD2 4.14Å; A71-Y89 HydrophobicContact CB-CG 3.98Å; A71-L98 HydrophobicContact CB-CD1 3.92Å
72F95.3Very high88.5Confident71 Ų7172.5 Ų72.531%0.31133%0.333SS..Hα-helixtrans-65.4-38.5177.7177.9-105.2000113.2Y68 K69 E70 R76 F143Y68-F72 WeakPolarHBondContact O-CB 3.27Å; Y68-F72 PolarHBondContact O-N 2.83Å; K69-F72 WeakPolarHBondContact O-CB 3.49Å; K69-F72 PolarHBondContact O-N 3.29Å; E70-F72 VanDerWaalsContact C-N 3.32Å; E70-F72 PolarHBondContact O-N 3.36Å; F72-R76 VanDerWaalsContact CD2-NH1 3.34Å; F72-R76 PolarHBondContact O-N 3.36Å; F72-F143 AromaticContact CD1-CZ 3.9Å; F72-F143 HydrophobicContact CD1-CZ 3.9Å; F72-F143 AromaticContact CE1-CZ 3.85Å; F72-F143 HydrophobicContact CE1-CZ 3.85Å
73I96.3Very high90.1Very high0 Ų070 Ų700%032%0.323CS..Hα-helixtrans-67.7-50.3174.6-66.6164.7000109.6K69 E70 K75 R76 L77 F143 F169 A172K69-I73 HydrophobicContact CG-CD1 4.05Å; K69-I73 WeakPolarHBondContact O-CG1 3.47Å; K69-I73 PolarHBondContact O-N 3.03Å; E70-I73 PolarHBondContact O-N 3.04Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 2.88Å; I73-R76 WeakPolarHBondContact O-CA 3.33Å; I73-R76 WeakPolarHBondContact O-CB 3.45Å; I73-R76 PolarHBondContact O-N 2.94Å; I73-L77 HydrophobicContact CG2-CD1 3.68Å; I73-L77 HydrophobicContact CG2-CG 4.36Å; I73-L77 WeakPolarHBondContact O-CG 3.32Å; I73-L77 PolarHBondContact O-N 2.87Å; I73-F143 HydrophobicContact CD1-CD1 3.78Å; I73-F143 HydrophobicContact CD1-CE1 3.9Å; I73-F143 HydrophobicContact CD1-CG 4.3Å; I73-F143 HydrophobicContact CG1-CD1 3.76Å; I73-F143 HydrophobicContact CG1-CD2 4.17Å; I73-F143 HydrophobicContact CG1-CE1 3.55Å; I73-F143 HydrophobicContact CG1-CE2 4Å; I73-F143 HydrophobicContact CG1-CG 4.08Å; I73-F143 HydrophobicContact CG1-CZ 3.69Å; I73-F169 HydrophobicContact CD1-CB 4.16Å; I73-F169 HydrophobicContact CG2-CB 4.49Å; I73-F169 HydrophobicContact CG2-CD1 3.61Å; I73-F169 HydrophobicContact CG2-CE1 3.98Å; I73-F169 HydrophobicContact CG2-CG 4.07Å; I73-A172 HydrophobicContact CD1-CB 3.69Å
74L96.7Very high91.8Very high4 Ų459.2 Ų59.22%0.02128%0.282CS..Hα-helixtrans-59.8-36.5-179.6-74.6165.2000113E70 A71 R76 L77 S78 V83 L98 L100 F169E70-L74 HydrophobicContact CG-CD1 3.91Å; E70-L74 WeakPolarHBondContact O-CB 3.48Å; E70-L74 WeakPolarHBondContact O-CG 3.36Å; E70-L74 PolarHBondContact O-N 2.85Å; A71-L74 PolarHBondContact O-N 3.4Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 2.95Å; L74-L77 CarbonylContact O-C 3.59Å; L74-L77 PolarHBondContact O-N 3.23Å; L74-S78 PolarHBondContact O-N 3.07Å; L74-V83 HydrophobicContact CD2-CB 4.16Å; L74-V83 HydrophobicContact CD2-CG2 4.38Å; L74-L98 HydrophobicContact CD1-CD2 3.96Å; L74-L100 HydrophobicContact CD1-CD1 4.05Å; L74-L100 HydrophobicContact CD1-CD2 3.53Å; L74-L100 HydrophobicContact CD1-CG 4.45Å; L74-F169 HydrophobicContact CD2-CD2 3.89Å; L74-F169 HydrophobicContact CD2-CE2 3.41Å; L74-F169 VanDerWaalsContact CD2-CE2 3.41Å; L74-F169 HydrophobicContact CD2-CZ 4.2Å; L74-F169 HydrophobicContact CG-CD2 4.03Å; L74-F169 HydrophobicContact CG-CE2 4.06Å
75K96.2Very high93.2Very high114 Ų11456.1 Ų56.150%0.49628%0.275SS..Hα-helixtrans-64.4-33.7172.9-78.6-178.5-178.8-178.30113.5A71 I73 L77 Y86A71-K75 WeakPolarHBondContact O-CB 3.34Å; A71-K75 WeakPolarHBondContact O-CG 3.42Å; A71-K75 PolarHBondContact O-N 3.39Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 2.88Å; K75-L77 VanDerWaalsContact C-N 3.31Å; K75-Y86 VanDerWaalsContact CE-CE1 3.44Å; K75-Y86 WeakPolarHBondContact CE-OH 3.27Å; K75-Y86 HydrophobicContact CG-CD1 4.19Å; K75-Y86 HydrophobicContact CG-CD2 4.17Å; K75-Y86 HydrophobicContact CG-CE1 4.33Å; K75-Y86 HydrophobicContact CG-CE2 4.28Å; K75-Y86 HydrophobicContact CG-CG 4.12Å; K75-Y86 PolarHBondContact NZ-OH 2.97Å
76R95.3Very high94Very high123 Ų12354 Ų5446%0.46426%0.259SS..Hα-helixtrans-72.9-27.2173.6-87.6-176.7176.870.2-2.1112.8F72 I73 L74 S78 A141F72-R76 VanDerWaalsContact CD2-NH1 3.34Å; F72-R76 PolarHBondContact O-N 3.36Å; I73-R76 WeakPolarHBondContact O-CA 3.33Å; I73-R76 WeakPolarHBondContact O-CB 3.45Å; I73-R76 PolarHBondContact O-N 2.94Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 2.95Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-A141 HydrophobicContact CB-CB 4.26Å
77L97.1Very high94.5Very high7 Ų754.7 Ų54.74%0.03726%0.264CS..THydrogen-bonded Turntrans-9622.8-179.5-59.7175.4000111.9I73 L74 K75 D79 C80 V83 A137 V138 A141 F169I73-L77 HydrophobicContact CG2-CD1 3.68Å; I73-L77 HydrophobicContact CG2-CG 4.36Å; I73-L77 WeakPolarHBondContact O-CG 3.32Å; I73-L77 PolarHBondContact O-N 2.87Å; L74-L77 CarbonylContact O-C 3.59Å; L74-L77 PolarHBondContact O-N 3.23Å; K75-L77 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 2.87Å; L77-D79 VanDerWaalsContact O-N 3.15Å; L77-C80 HydrophobicContact CB-CB 4.19Å; L77-C80 WeakPolarHBondContact O-CB 3.36Å; L77-C80 PolarHBondContact O-N 3.36Å; L77-V83 HydrophobicContact CB-CG1 4.17Å; L77-V83 HydrophobicContact CB-CG2 4.08Å; L77-V83 HydrophobicContact CD1-CG1 3.98Å; L77-V83 WeakPolarHBondContact O-CG2 3.37Å; L77-A137 HydrophobicContact CD2-CB 4.12Å; L77-A137 VanDerWaalsContact CD2-O 3.29Å; L77-A137 WeakPolarHBondContact CD2-O 3.35Å; L77-V138 HydrophobicContact CD1-CG2 3.87Å; L77-A141 HydrophobicContact CD2-CB 3.75Å; L77-A141 HydrophobicContact CG-CB 4.48Å; L77-F169 HydrophobicContact CD1-CE1 3.73Å; L77-F169 HydrophobicContact CD1-CZ 3.92Å
78S94.8Very high94.7Very high83 Ų8356.5 Ų56.558%0.5827%0.273SS*.THydrogen-bonded Turntrans-58.2-31.1-174.258.90000113.7L74 R76L74-S78 PolarHBondContact O-N 3.07Å; R76-S78 VanDerWaalsContact C-N 3.32Å
79D94.3Very high94.9Very high153 Ų15353 Ų5382%0.81826%0.259SS*.THydrogen-bonded Turntrans-93.9-3.9-176.6-57-16.1000112L77 P81L77-D79 PolarHBondContact O-N 2.87Å; L77-D79 VanDerWaalsContact O-N 3.15Å; D79-P81 WeakPolarHBondContact O-CD 3.19Å
80C96.4Very high94.9Very high20 Ų2050.5 Ų50.514%0.13525%0.252CS..  trans-79.9122.2178-174.70000109.9L77 H82 V83 A137L77-C80 HydrophobicContact CB-CB 4.19Å; L77-C80 WeakPolarHBondContact O-CB 3.36Å; L77-C80 PolarHBondContact O-N 3.36Å; C80-H82 PolarHBondContact O-N 3.48Å; C80-H82 PolarHBondContact SG-N 3.29Å; C80-V83 HydrophobicContact CB-CG1 4.38Å; C80-V83 HydrophobicContact CB-CG2 4.27Å; C80-A137 HydrophobicContact CB-CB 4.23Å
81P95.9Very high94.7Very high87 Ų8754.7 Ų54.757%0.56527%0.274SS*.THydrogen-bonded Turntrans-69.7-16.8176.328.3-33.9000112.6D79 V83 V163D79-P81 WeakPolarHBondContact O-CD 3.19Å; P81-V83 VanDerWaalsContact C-N 3.33Å; P81-V83 PolarHBondContact O-N 3.15Å; P81-V163 WeakPolarHBondContact O-CG1 3.14Å
82H97.6Very high94.3Very high17 Ų1756.3 Ų56.38%0.07928%0.28CS..THydrogen-bonded Turntrans-94.128.3-175-56.3-66.3000113.9C80 E133 A134 I164 S165 I166C80-H82 PolarHBondContact O-N 3.48Å; C80-H82 PolarHBondContact SG-N 3.29Å; H82-E133 IonicContact CE1-OE2 2.92Å; H82-E133 IonicContact NE2-OE2 2.83Å; H82-E133 PolarHBondContact NE2-OE2 3.27Å; H82-A134 HydrophobicContact CB-CB 3.4Å; H82-I164 WeakPolarHBondContact CA-O 3.25Å; H82-I164 VanDerWaalsContact CB-O 3.32Å; H82-I164 WeakPolarHBondContact CB-O 3.43Å; H82-I164 PolarHBondContact ND1-O 3.04Å; H82-S165 CarbonylContact O-C 3.53Å; H82-S165 VanDerWaalsContact O-CA 3.25Å; H82-S165 WeakPolarHBondContact O-CA 3.34Å; H82-I166 PolarHBondContact O-N 3.12Å
83V95.4Very high93.7Very high11 Ų1160.3 Ų60.37%0.06729%0.293CS..BIsolated β-bridgetrans-137.1150.8172.3-54.70000110.9L74 L77 C80 P81 K85 F169L74-V83 HydrophobicContact CD2-CB 4.16Å; L74-V83 HydrophobicContact CD2-CG2 4.38Å; L77-V83 HydrophobicContact CB-CG1 4.17Å; L77-V83 HydrophobicContact CB-CG2 4.08Å; L77-V83 HydrophobicContact CD1-CG1 3.98Å; L77-V83 WeakPolarHBondContact O-CG2 3.37Å; C80-V83 HydrophobicContact CB-CG1 4.38Å; C80-V83 HydrophobicContact CB-CG2 4.27Å; P81-V83 VanDerWaalsContact C-N 3.33Å; P81-V83 PolarHBondContact O-N 3.15Å; V83-K85 PolarHBondContact O-N 2.7Å; V83-F169 HydrophobicContact CB-CZ 4.31Å; V83-F169 HydrophobicContact CG1-CE2 4.4Å; V83-F169 HydrophobicContact CG1-CZ 3.68Å
84S92Very high92.9Very high4 Ų463 Ų633%0.02832%0.321CS..PPolyproline II helixtrans-63.3133.4169.5-56.20000109.9Y86S84-Y86 PolarHBondContact O-N 2.89Å
85K92.1Very high92.2Very high140 Ų14063.3 Ų63.361%0.60932%0.322SS*.PPolyproline II helixtrans-66.9131.4-176.5-58178.8-179.5172.70109.6V83 I87 L100 T101V83-K85 PolarHBondContact O-N 2.7Å; K85-I87 PolarHBondContact O-N 3.2Å; K85-L100 WeakPolarHBondContact O-CA 3.42Å; K85-T101 HydrophobicContact CB-CG2 3.71Å; K85-T101 HydrophobicContact CD-CG2 4.33Å; K85-T101 HydrophobicContact CG-CG2 4.28Å; K85-T101 PolarHBondContact N-OG1 2.82Å; K85-T101 PolarHBondContact O-N 3.15Å
86Y94.6Very high91.8Very high64 Ų6459.2 Ų59.225%0.25131%0.306SS..EExtended strand (participates in β ladder)trans-65.4126.9171.4170-85.4000109.7A71 K75 S84 Y89 L98A71-Y86 HydrophobicContact CB-CD2 4.47Å; A71-Y86 HydrophobicContact CB-CE2 4.06Å; K75-Y86 VanDerWaalsContact CE-CE1 3.44Å; K75-Y86 WeakPolarHBondContact CE-OH 3.27Å; K75-Y86 HydrophobicContact CG-CD1 4.19Å; K75-Y86 HydrophobicContact CG-CD2 4.17Å; K75-Y86 HydrophobicContact CG-CE1 4.33Å; K75-Y86 HydrophobicContact CG-CE2 4.28Å; K75-Y86 HydrophobicContact CG-CG 4.12Å; K75-Y86 PolarHBondContact NZ-OH 2.97Å; S84-Y86 PolarHBondContact O-N 2.89Å; Y86-Y89 PolarHBondContact OH-N 3.24Å; Y86-L98 HydrophobicContact CD2-CD1 3.85Å; Y86-L98 HydrophobicContact CE2-CD1 3.9Å
87I94.1Very high91.6Very high46 Ų4653.8 Ų53.824%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-103.3-59.4172.4-54.7-59000109.3F27 Y53 K85 V99 T101F27-I87 HydrophobicContact CZ-CG2 4.26Å; Y53-I87 HydrophobicContact CD1-CD1 4.12Å; Y53-I87 HydrophobicContact CD1-CG1 3.68Å; Y53-I87 HydrophobicContact CE1-CD1 3.66Å; Y53-I87 HydrophobicContact CE1-CG1 3.73Å; K85-I87 PolarHBondContact O-N 3.2Å; I87-V99 HydrophobicContact CB-CB 4.12Å; I87-V99 HydrophobicContact CB-CG1 3.98Å; I87-V99 WeakPolarHBondContact CB-O 3.38Å; I87-V99 HydrophobicContact CG1-CG1 4.33Å; I87-V99 HydrophobicContact CG2-CB 4.47Å; I87-V99 HydrophobicContact CG2-CG1 4.17Å; I87-V99 PolarHBondContact N-O 3.08Å; I87-T101 HydrophobicContact CD1-CG2 4.03Å
88E93.8Very high91.4Very high42 Ų4253.4 Ų53.420%0.19628%0.284CS..EExtended strand (participates in β ladder)trans-156.9143.1-174.4-163178.7102.800111.6R26 F27 Y97 L98 V99R26-E88 IonicContact NH1-OE2 3.18Å; R26-E88 PolarHBondContact NH1-OE2 2.55Å; F27-E88 HydrophobicContact CE2-CB 4.38Å; F27-E88 HydrophobicContact CZ-CB 4.39Å; E88-Y97 WeakPolarHBondContact OE1-CE2 3.5Å; E88-Y97 PolarHBondContact OE1-OH 3.07Å; E88-L98 CarbonylContact O-C 3.6Å; E88-L98 WeakPolarHBondContact O-CA 3.1Å; E88-V99 HydrophobicContact CB-CB 4.44Å; E88-V99 PolarHBondContact N-O 3.11Å; E88-V99 PolarHBondContact O-N 3.32Å
89Y94.1Very high91.3Very high55 Ų5549.5 Ų49.522%0.21626%0.256CS..EExtended strand (participates in β ladder)trans-119.8135.8161.4164.7-94.1000107.5L67 Y68 A71 Y86 D96 Y97L67-Y89 HydrophobicContact CB-CE2 4.21Å; Y68-Y89 HydrophobicContact CD2-CD1 4.45Å; Y68-Y89 AromaticContact CD2-CE1 3.7Å; Y68-Y89 HydrophobicContact CD2-CE1 3.7Å; Y68-Y89 AromaticContact CD2-CZ 3.87Å; Y68-Y89 HydrophobicContact CE2-CE1 4.46Å; A71-Y89 HydrophobicContact CB-CD2 4.14Å; A71-Y89 HydrophobicContact CB-CG 3.98Å; Y86-Y89 PolarHBondContact OH-N 3.24Å; Y89-D96 HydrophobicContact CE2-CB 4.04Å; Y89-D96 PolarHBondContact OH-OD1 3.07Å; Y89-D96 PolarHBondContact OH-OD2 3.23Å; Y89-Y97 WeakPolarHBondContact CA-O 3.44Å; Y89-Y97 VanDerWaalsContact CD2-O 3.25Å; Y89-Y97 WeakPolarHBondContact CD2-O 3.49Å
90G92Very high91.3Very high13 Ų1342.5 Ų42.513%0.13422%0.219CC..EExtended strand (participates in β ladder)trans-153.4175.1178.400000111.9D96 Y97G90-D96 WeakPolarHBondContact O-CA 3.45Å; G90-Y97 VanDerWaalsContact C-CE1 3.4Å; G90-Y97 PolarHBondContact N-O 3.35Å; G90-Y97 VanDerWaalsContact N-O 3.08Å; G90-Y97 WeakPolarHBondContact O-CD1 3.1Å; G90-Y97 PolarHBondContact O-N 2.92Å
91N89Confident91.1Very high91 Ų9143.2 Ų43.249%0.48722%0.222SC..EExtended strand (participates in β ladder)trans-119.7124171-176-82.6000107.9G94 I95 D96N91-G94 VanDerWaalsContact OD1-CA 3.27Å; N91-G94 WeakPolarHBondContact OD1-CA 3.17Å; N91-G94 PolarHBondContact OD1-N 2.95Å; N91-G94 VanDerWaalsContact OD1-N 3.11Å; N91-I95 WeakPolarHBondContact CA-O 3.43Å; N91-D96 PolarHBondContact ND2-OD1 3.3Å
92Y86.6Confident90.8Very high37 Ų3740.4 Ų40.415%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-122.1118.1177.1-175.7-104.8000109.2L17 V23 G94 I95L17-Y92 HydrophobicContact CD1-CD1 3.75Å; L17-Y92 HydrophobicContact CD1-CE1 4.21Å; V23-Y92 HydrophobicContact CG1-CD1 3.98Å; V23-Y92 HydrophobicContact CG1-CG 3.89Å; Y92-G94 PolarHBondContact O-N 3.21Å; Y92-I95 PolarHBondContact N-O 2.83Å; Y92-I95 WeakPolarHBondContact O-CB 3.26Å; Y92-I95 PolarHBondContact O-N 2.71Å
93R83.3Confident90.4Very high156 Ų15639.8 Ų39.859%0.58920%0.2SC*.THydrogen-bonded Turntrans52.536.5-178.6-57.9-178.1179.4-163.1-0.4113.8I95R93-I95 VanDerWaalsContact C-N 3.3Å
94G80.1Confident90.2Very high57 Ų5739.3 Ų39.359%0.58820%0.196SC*.THydrogen-bonded Turntrans83.43-179.800000114.6N91 Y92N91-G94 VanDerWaalsContact OD1-CA 3.27Å; N91-G94 WeakPolarHBondContact OD1-CA 3.17Å; N91-G94 PolarHBondContact OD1-N 2.95Å; N91-G94 VanDerWaalsContact OD1-N 3.11Å; Y92-G94 PolarHBondContact O-N 3.21Å
95I81.4Confident90.1Very high10 Ų1039.2 Ų39.25%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-107.8124.2177.4-55.4178.3000108.9L17 V57 P60 N91 Y92 R93L17-I95 HydrophobicContact CB-CD1 4.29Å; L17-I95 HydrophobicContact CD2-CD1 4.25Å; L17-I95 HydrophobicContact CD2-CG2 4.36Å; V57-I95 HydrophobicContact CG1-CG2 3.17Å; P60-I95 HydrophobicContact CG-CG1 4.46Å; N91-I95 WeakPolarHBondContact CA-O 3.43Å; Y92-I95 PolarHBondContact N-O 2.83Å; Y92-I95 WeakPolarHBondContact O-CB 3.26Å; Y92-I95 PolarHBondContact O-N 2.71Å; R93-I95 VanDerWaalsContact C-N 3.3Å
96D88Confident90.1Very high28 Ų2832.9 Ų32.915%0.1517%0.168CC..EExtended strand (participates in β ladder)trans-74.2136.3174.4-816.6000110.7V57 D58 L67 Y89 G90 N91V57-D96 WeakPolarHBondContact CA-O 3.34Å; D58-D96 HydrophobicContact CB-CB 4.46Å; D58-D96 PolarHBondContact N-O 3.04Å; D58-D96 VanDerWaalsContact N-O 3.15Å; L67-D96 HydrophobicContact CD1-CB 4.41Å; L67-D96 WeakPolarHBondContact CD1-O 3.32Å; Y89-D96 HydrophobicContact CE2-CB 4.04Å; Y89-D96 PolarHBondContact OH-OD1 3.07Å; Y89-D96 PolarHBondContact OH-OD2 3.23Å; G90-D96 WeakPolarHBondContact O-CA 3.45Å; N91-D96 PolarHBondContact ND2-OD1 3.3Å
97Y90.7Very high90.1Very high8 Ų829.8 Ų29.83%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-131.5151.7174.170.4-91000111.6V23 F27 M55 K56 E88 Y89 G90 V99V23-Y97 HydrophobicContact CG1-CD1 4.01Å; V23-Y97 HydrophobicContact CG1-CE1 4.12Å; V23-Y97 HydrophobicContact CG1-CG 4.33Å; F27-Y97 HydrophobicContact CD2-CE2 4.43Å; F27-Y97 HydrophobicContact CE2-CE2 4.37Å; M55-Y97 HydrophobicContact CE-CD2 4.09Å; K56-Y97 CarbonylContact O-C 3.51Å; K56-Y97 VanDerWaalsContact O-CA 3.23Å; K56-Y97 WeakPolarHBondContact O-CA 3.47Å; E88-Y97 WeakPolarHBondContact OE1-CE2 3.5Å; E88-Y97 PolarHBondContact OE1-OH 3.07Å; Y89-Y97 WeakPolarHBondContact CA-O 3.44Å; Y89-Y97 VanDerWaalsContact CD2-O 3.25Å; Y89-Y97 WeakPolarHBondContact CD2-O 3.49Å; G90-Y97 VanDerWaalsContact C-CE1 3.4Å; G90-Y97 PolarHBondContact N-O 3.35Å; G90-Y97 VanDerWaalsContact N-O 3.08Å; G90-Y97 WeakPolarHBondContact O-CD1 3.1Å; G90-Y97 PolarHBondContact O-N 2.92Å; Y97-V99 HydrophobicContact CD2-CG2 3.84Å; Y97-V99 HydrophobicContact CE2-CG2 4.06Å
98L92.8Very high90.1Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-134120.1176.3173.461.9000109.2M55 K56 L67 E70 A71 L74 Y86 E88 L100M55-L98 CarbonylContact C-O 3.45Å; M55-L98 WeakPolarHBondContact CA-O 3.45Å; K56-L98 HydrophobicContact CB-CB 4.45Å; K56-L98 PolarHBondContact N-O 2.78Å; K56-L98 PolarHBondContact O-N 3.45Å; L67-L98 HydrophobicContact CD1-CB 4.48Å; L67-L98 HydrophobicContact CD2-CB 4.03Å; L67-L98 HydrophobicContact CD2-CD2 4.18Å; E70-L98 HydrophobicContact CB-CD2 4.24Å; E70-L98 HydrophobicContact CG-CD2 3.7Å; A71-L98 HydrophobicContact CB-CD1 3.92Å; L74-L98 HydrophobicContact CD1-CD2 3.96Å; Y86-L98 HydrophobicContact CD2-CD1 3.85Å; Y86-L98 HydrophobicContact CE2-CD1 3.9Å; E88-L98 CarbonylContact O-C 3.6Å; E88-L98 WeakPolarHBondContact O-CA 3.1Å; L98-L100 HydrophobicContact CD1-CD2 3.88Å; L98-L100 HydrophobicContact CD2-CD1 4.24Å; L98-L100 HydrophobicContact CD2-CD2 4.22Å; L98-L100 HydrophobicContact CD2-CG 4.39Å; L98-L100 HydrophobicContact CG-CD1 4.4Å; L98-L100 HydrophobicContact CG-CD2 3.91Å; L98-L100 HydrophobicContact CG-CG 4.04Å
99V93.6Very high89.9Confident0 Ų026.2 Ų26.20%014%0.14CC..EExtended strand (participates in β ladder)trans-102.3130.7177.4-1720000110F27 V44 Y53 A54 M55 I87 E88 Y97F27-V99 HydrophobicContact CD1-CG1 4.2Å; F27-V99 HydrophobicContact CD1-CG2 4.36Å; F27-V99 HydrophobicContact CD2-CG2 3.88Å; F27-V99 HydrophobicContact CE1-CB 4.4Å; F27-V99 HydrophobicContact CE1-CG1 3.76Å; F27-V99 HydrophobicContact CE1-CG2 4.21Å; F27-V99 HydrophobicContact CE2-CB 4.45Å; F27-V99 HydrophobicContact CE2-CG2 3.71Å; F27-V99 HydrophobicContact CG-CG2 4.2Å; F27-V99 HydrophobicContact CZ-CB 4.16Å; F27-V99 HydrophobicContact CZ-CG1 4Å; F27-V99 HydrophobicContact CZ-CG2 3.88Å; V44-V99 HydrophobicContact CG2-CG1 4.39Å; Y53-V99 HydrophobicContact CD1-CG1 4.48Å; Y53-V99 HydrophobicContact CG-CG1 4.03Å; A54-V99 CarbonylContact O-C 3.51Å; A54-V99 WeakPolarHBondContact O-CA 3.25Å; M55-V99 HydrophobicContact CB-CG2 4.42Å; M55-V99 HydrophobicContact CE-CG2 3.74Å; M55-V99 HydrophobicContact CG-CG2 4.34Å; I87-V99 HydrophobicContact CB-CB 4.12Å; I87-V99 HydrophobicContact CB-CG1 3.98Å; I87-V99 WeakPolarHBondContact CB-O 3.38Å; I87-V99 HydrophobicContact CG1-CG1 4.33Å; I87-V99 HydrophobicContact CG2-CB 4.47Å; I87-V99 HydrophobicContact CG2-CG1 4.17Å; I87-V99 PolarHBondContact N-O 3.08Å; E88-V99 HydrophobicContact CB-CB 4.44Å; E88-V99 PolarHBondContact N-O 3.11Å; E88-V99 PolarHBondContact O-N 3.32Å; Y97-V99 HydrophobicContact CD2-CG2 3.84Å; Y97-V99 HydrophobicContact CE2-CG2 4.06Å
100L93.8Very high89.9Confident7 Ų723.6 Ų23.64%0.03713%0.13CC..EExtended strand (participates in β ladder)trans-133.7158.9-177.1-54.2175.9000110.7Y53 A54 L74 K85 L98Y53-L100 WeakPolarHBondContact CB-O 3.4Å; A54-L100 PolarHBondContact N-O 3.33Å; A54-L100 PolarHBondContact O-N 3.08Å; L74-L100 HydrophobicContact CD1-CD1 4.05Å; L74-L100 HydrophobicContact CD1-CD2 3.53Å; L74-L100 HydrophobicContact CD1-CG 4.45Å; K85-L100 WeakPolarHBondContact O-CA 3.42Å; L98-L100 HydrophobicContact CD1-CD2 3.88Å; L98-L100 HydrophobicContact CD2-CD1 4.24Å; L98-L100 HydrophobicContact CD2-CD2 4.22Å; L98-L100 HydrophobicContact CD2-CG 4.39Å; L98-L100 HydrophobicContact CG-CD1 4.4Å; L98-L100 HydrophobicContact CG-CD2 3.91Å; L98-L100 HydrophobicContact CG-CG 4.04Å
101T91.8Very high89.9Confident35 Ų3524.8 Ų24.822%0.21513%0.13CC..EExtended strand (participates in β ladder)trans-60.2145.3166.456.40000111.1Y53 K85 I87Y53-T101 HydrophobicContact CE1-CG2 4.44Å; K85-T101 HydrophobicContact CB-CG2 3.71Å; K85-T101 HydrophobicContact CD-CG2 4.33Å; K85-T101 HydrophobicContact CG-CG2 4.28Å; K85-T101 PolarHBondContact N-OG1 2.82Å; K85-T101 PolarHBondContact O-N 3.15Å; I87-T101 HydrophobicContact CD1-CG2 4.03Å
102M89.9Confident90Very high28 Ų2827.5 Ų27.514%0.13814%0.137CC..  trans-71.2146171.4-65.6-173.464.800110.7Q43 K52 A54 L157 C311 M314Q43-M102 HydrophobicContact CG-CE 4.3Å; Q43-M102 HydrophobicContact CG-SD 4.02Å; K52-M102 HydrophobicContact CB-SD 3.62Å; A54-M102 HydrophobicContact CB-CG 4.39Å; M102-L157 HydrophobicContact CB-CD1 3.77Å; M102-C311 HydrophobicContact CE-CB 4.05Å; M102-M314 HydrophobicContact CE-CG 4.49Å
103V90.4Very high90Very high4 Ų431.2 Ų31.22%0.02415%0.151CC..  trans-124.7161.5167.7-61.20000109.3A154 V167 C311 A312 S313V103-A154 HydrophobicContact CB-CB 4.5Å; V103-A154 HydrophobicContact CG2-CB 3.74Å; V103-V167 HydrophobicContact CG2-CG1 3.45Å; V103-V167 VanDerWaalsContact CG2-CG1 3.45Å; V103-C311 WeakPolarHBondContact O-CB 3.43Å; V103-C311 PolarHBondContact O-SG 3.4Å; V103-A312 HydrophobicContact CG2-CB 4.38Å; V103-S313 WeakPolarHBondContact CG2-OG 3.44Å; V103-S313 PolarHBondContact N-OG 2.82Å
104G90Very high90.2Very high0 Ų024.5 Ų24.50%013%0.129CC..  trans-67.7-163.8177.400000113.1I155 A312G104-I155 VanDerWaalsContact CA-O 3.24Å; G104-I155 WeakPolarHBondContact CA-O 3.4Å; G104-I155 PolarHBondContact N-O 2.94Å; G104-A312 WeakPolarHBondContact O-CB 3.41Å; G104-A312 PolarHBondContact O-N 2.78Å
105P90Very high90.4Very high3 Ų330.5 Ų30.52%0.01914%0.144CC..  trans-69.6153.6-177.428.8-36.1000113.7T109 I110 A154 I155 I306 I309P105-T109 HydrophobicContact CB-CG2 4.47Å; P105-I110 HydrophobicContact CB-CG1 4.04Å; P105-I110 HydrophobicContact CG-CD1 3.99Å; P105-I110 HydrophobicContact CG-CG1 3.78Å; P105-A154 WeakPolarHBondContact O-CA 3.46Å; P105-I155 HydrophobicContact CG-CD1 4.13Å; P105-I155 HydrophobicContact CG-CG1 4.23Å; P105-I155 PolarHBondContact O-N 3.03Å; P105-I306 HydrophobicContact CG-CG2 3.77Å; P105-I309 HydrophobicContact CB-CB 3.76Å; P105-I309 HydrophobicContact CB-CD1 4.27Å; P105-I309 HydrophobicContact CB-CG2 3.34Å; P105-I309 HydrophobicContact CG-CB 3.85Å; P105-I309 HydrophobicContact CG-CD1 3.97Å; P105-I309 HydrophobicContact CG-CG1 4.41Å; P105-I309 HydrophobicContact CG-CG2 4Å
106D92.7Very high90.6Very high6 Ų635.9 Ų35.93%0.03217%0.173CC..BIsolated β-bridgetrans-76155.7177.459.876.7000111.5A108 T109 I110 F153 A154 A312 R315D106-A108 PolarHBondContact O-N 3.3Å; D106-A108 VanDerWaalsContact OD1-CB 3.29Å; D106-A108 WeakPolarHBondContact OD1-CB 3.32Å; D106-A108 PolarHBondContact OD1-N 2.94Å; D106-T109 WeakPolarHBondContact O-CB 3.48Å; D106-T109 PolarHBondContact O-N 3.2Å; D106-T109 WeakPolarHBondContact OD1-CB 3.46Å; D106-T109 PolarHBondContact OD1-N 3.44Å; D106-T109 PolarHBondContact OD1-OG1 3.27Å; D106-T109 PolarHBondContact OD2-OG1 2.88Å; D106-I110 WeakPolarHBondContact O-CG1 3.37Å; D106-I110 PolarHBondContact O-N 3.4Å; D106-F153 CarbonylContact C-O 3.56Å; D106-F153 VanDerWaalsContact CA-O 3.28Å; D106-F153 WeakPolarHBondContact CA-O 3.49Å; D106-A154 HydrophobicContact CB-CB 4.35Å; D106-A312 HydrophobicContact CB-CB 3.81Å; D106-R315 WeakPolarHBondContact OD2-CD 3.27Å; D106-R315 IonicContact OD2-CZ 2.75Å; D106-R315 IonicContact OD2-NE 3.84Å; D106-R315 IonicContact OD2-NH1 3.23Å
107L94.4Very high90.8Very high0 Ų041.1 Ų41.10%020%0.195CC..Hα-helixtrans-60-33.8-177.9-64.7177.8000112.3T109 R111 I127 P150 F153 L225 L301L107-T109 VanDerWaalsContact C-N 3.28Å; L107-T109 PolarHBondContact O-N 3.1Å; L107-R111 WeakPolarHBondContact O-CB 3.24Å; L107-R111 PolarHBondContact O-N 2.95Å; L107-I127 HydrophobicContact CD1-CD1 4.47Å; L107-I127 HydrophobicContact CD1-CG2 3.59Å; L107-I127 HydrophobicContact CD2-CD1 4.05Å; L107-I127 HydrophobicContact CD2-CG1 4.36Å; L107-P150 HydrophobicContact CB-CB 3.95Å; L107-P150 PolarHBondContact N-O 3.29Å; L107-P150 VanDerWaalsContact N-O 3.17Å; L107-F153 HydrophobicContact CD1-CB 3.73Å; L107-F153 HydrophobicContact CG-CB 4.17Å; L107-F153 PolarHBondContact N-O 2.84Å; L107-L225 HydrophobicContact CD1-CD1 4.28Å; L107-L301 HydrophobicContact CD2-CD1 4.45Å
108A93.5Very high90.9Very high2 Ų242.2 Ų42.22%0.01720%0.203CC..Hα-helixtrans-61.2-39.5174.800000111.7D106 K112 P150 E151D106-A108 PolarHBondContact O-N 3.3Å; D106-A108 VanDerWaalsContact OD1-CB 3.29Å; D106-A108 WeakPolarHBondContact OD1-CB 3.32Å; D106-A108 PolarHBondContact OD1-N 2.94Å; A108-K112 WeakPolarHBondContact O-CG 3.49Å; A108-K112 PolarHBondContact O-N 3.43Å; A108-K112 VanDerWaalsContact O-N 3.13Å; A108-P150 HydrophobicContact CB-CB 3.79Å; A108-P150 PolarHBondContact N-O 3.26Å; A108-E151 HydrophobicContact CB-CG 3.74Å
109T90.9Very high91Very high11 Ų1142.9 Ų42.97%0.06721%0.206CC..Hα-helixtrans-74.4-43.7-178.8-60.80000112P105 D106 L107 R111 K112 I309 R315P105-T109 HydrophobicContact CB-CG2 4.47Å; D106-T109 WeakPolarHBondContact O-CB 3.48Å; D106-T109 PolarHBondContact O-N 3.2Å; D106-T109 WeakPolarHBondContact OD1-CB 3.46Å; D106-T109 PolarHBondContact OD1-N 3.44Å; D106-T109 PolarHBondContact OD1-OG1 3.27Å; D106-T109 PolarHBondContact OD2-OG1 2.88Å; L107-T109 VanDerWaalsContact C-N 3.28Å; L107-T109 PolarHBondContact O-N 3.1Å; T109-R111 VanDerWaalsContact C-N 3.32Å; T109-K112 PolarHBondContact O-N 3.33Å; T109-I309 HydrophobicContact CG2-CG2 3.25Å; T109-R315 PolarHBondContact OG1-NH1 2.97Å
110I92.2Very high91Very high0 Ų047 Ų470%023%0.228CC..Hα-helixtrans-59.5-48.7174.1-60.2170.7000108.7P105 D106 K112 R113 A114 F119 I155 L301 I304 I309P105-I110 HydrophobicContact CB-CG1 4.04Å; P105-I110 HydrophobicContact CG-CD1 3.99Å; P105-I110 HydrophobicContact CG-CG1 3.78Å; D106-I110 WeakPolarHBondContact O-CG1 3.37Å; D106-I110 PolarHBondContact O-N 3.4Å; I110-K112 VanDerWaalsContact C-N 3.29Å; I110-K112 PolarHBondContact O-N 3.19Å; I110-R113 PolarHBondContact O-N 3.38Å; I110-A114 PolarHBondContact O-N 3.31Å; I110-F119 HydrophobicContact CB-CZ 4.12Å; I110-F119 HydrophobicContact CG2-CE1 3.97Å; I110-F119 HydrophobicContact CG2-CZ 3.78Å; I110-I155 HydrophobicContact CD1-CD1 3.72Å; I110-I155 HydrophobicContact CD1-CG1 3.95Å; I110-I155 HydrophobicContact CD1-CG2 3.99Å; I110-L301 HydrophobicContact CD1-CD1 4.06Å; I110-L301 HydrophobicContact CG2-CB 4.29Å; I110-L301 HydrophobicContact CG2-CD1 4.45Å; I110-L301 HydrophobicContact CG2-CD2 4.05Å; I110-L301 HydrophobicContact CG2-CG 4.49Å; I110-I304 HydrophobicContact CG2-CD1 3.43Å; I110-I304 VanDerWaalsContact CG2-CD1 3.43Å; I110-I309 HydrophobicContact CG1-CD1 4.32Å
111R92.6Very high91.1Very high37 Ų3747.9 Ų47.914%0.1423%0.233CC..Hα-helixtrans-55.8-40177.8-178.5177.865.5157.8-8.6112.9L107 T109 R113 A114 K117 F119 D224 L225L107-R111 WeakPolarHBondContact O-CB 3.24Å; L107-R111 PolarHBondContact O-N 2.95Å; T109-R111 VanDerWaalsContact C-N 3.32Å; R111-R113 PolarHBondContact O-N 3.08Å; R111-R113 VanDerWaalsContact O-N 3.15Å; R111-A114 WeakPolarHBondContact O-CB 3.31Å; R111-A114 PolarHBondContact O-N 3.26Å; R111-A114 VanDerWaalsContact O-N 3.1Å; R111-K117 WeakPolarHBondContact CD-O 3.33Å; R111-K117 WeakPolarHBondContact CG-O 3.29Å; R111-K117 WeakPolarHBondContact O-CA 3.47Å; R111-F119 HydrophobicContact CB-CE1 4.28Å; R111-F119 HydrophobicContact CB-CE2 4.09Å; R111-F119 HydrophobicContact CB-CZ 3.74Å; R111-D224 IonicContact CZ-OD2 3.88Å; R111-D224 VanDerWaalsContact CZ-OD2 3.23Å; R111-D224 PolarHBondContact NH1-O 2.92Å; R111-D224 IonicContact NH1-OD1 2.8Å; R111-D224 PolarHBondContact NH1-OD1 3.28Å; R111-D224 IonicContact NH1-OD2 3.82Å; R111-D224 PolarHBondContact NH1-OD2 3.23Å; R111-D224 IonicContact NH2-OD2 3.7Å; R111-D224 PolarHBondContact NH2-OD2 2.93Å; R111-L225 HydrophobicContact CB-CD2 4.38Å
112K90.5Very high91.3Very high148 Ų14846.6 Ų46.664%0.64323%0.226SC*.Hα-helixtrans-60.9-22.3178.6-78.7170.1-174.4171.50113.7A108 T109 I110A108-K112 WeakPolarHBondContact O-CG 3.49Å; A108-K112 PolarHBondContact O-N 3.43Å; A108-K112 VanDerWaalsContact O-N 3.13Å; T109-K112 PolarHBondContact O-N 3.33Å; I110-K112 VanDerWaalsContact C-N 3.29Å; I110-K112 PolarHBondContact O-N 3.19Å
113R87.8Confident91.5Very high115 Ų11545.3 Ų45.343%0.43422%0.22SC..Hα-helixtrans-94.4-14.1177.5-66.3-167.4174.4-166.60.3113.5I110 R111 I304 D305 S308 I309I110-R113 PolarHBondContact O-N 3.38Å; R111-R113 PolarHBondContact O-N 3.08Å; R111-R113 VanDerWaalsContact O-N 3.15Å; R113-I304 HydrophobicContact CB-CG2 3.63Å; R113-I304 HydrophobicContact CG-CG2 4.38Å; R113-D305 PolarHBondContact NH1-O 3.1Å; R113-S308 PolarHBondContact NH1-OG 2.74Å; R113-S308 PolarHBondContact NH2-O 3.29Å; R113-I309 VanDerWaalsContact NH1-CG1 3.25Å
114A87.5Confident91.8Very high15 Ų1545.1 Ų45.112%0.12422%0.219CC..SBendtrans-65.5144.7172.400000110.5I110 R111 D116 K117 S118 F119 I304I110-A114 PolarHBondContact O-N 3.31Å; R111-A114 WeakPolarHBondContact O-CB 3.31Å; R111-A114 PolarHBondContact O-N 3.26Å; R111-A114 VanDerWaalsContact O-N 3.1Å; A114-D116 VanDerWaalsContact C-N 3.34Å; A114-D116 PolarHBondContact O-N 2.94Å; A114-K117 PolarHBondContact O-N 3.22Å; A114-S118 VanDerWaalsContact CB-O 3.29Å; A114-S118 WeakPolarHBondContact CB-O 3.23Å; A114-F119 HydrophobicContact CB-CD1 4.37Å; A114-F119 HydrophobicContact CB-CE1 4.24Å; A114-I304 HydrophobicContact CB-CD1 4.25Å
115M83.7Confident92.2Very high184 Ų18445.1 Ų45.191%0.90622%0.219SC*.THydrogen-bonded Turntrans-51-49.4-173.3-177.2170.6176.700112.8
116D87Confident92.5Very high123 Ų12346.2 Ų46.266%0.65822%0.223SC*.THydrogen-bonded Turntrans-98.99.9-177.9-63.8-37.9000113.4A114 S118A114-D116 VanDerWaalsContact C-N 3.34Å; A114-D116 PolarHBondContact O-N 2.94Å; D116-S118 PolarHBondContact O-N 2.64Å
117K91.1Very high92.8Very high138 Ų13846 Ų4660%0.622%0.221SC*.SBendtrans54.333.5-171.4-55.1174.8-176.9170.80112.8R111 A114R111-K117 WeakPolarHBondContact CD-O 3.33Å; R111-K117 WeakPolarHBondContact CG-O 3.29Å; R111-K117 WeakPolarHBondContact O-CA 3.47Å; A114-K117 PolarHBondContact O-N 3.22Å
118S93.4Very high93Very high30 Ų3046 Ų4621%0.2122%0.221CC..SBendtrans-141.3167.1174.855.60000110A114 D116 L225 Y226A114-S118 VanDerWaalsContact CB-O 3.29Å; A114-S118 WeakPolarHBondContact CB-O 3.23Å; D116-S118 PolarHBondContact O-N 2.64Å; S118-L225 CarbonylContact C-O 3.55Å; S118-L225 WeakPolarHBondContact CA-O 3.45Å; S118-L225 WeakPolarHBondContact CB-O 3.18Å; S118-Y226 VanDerWaalsContact CB-O 3.24Å; S118-Y226 WeakPolarHBondContact CB-O 3.4Å
119F94.1Very high93.2Very high15 Ų1546.4 Ų46.47%0.06622%0.223CC..  trans-110.5158.8169.5-58.4-45.9000110.4I110 R111 A114 T123 V124 I127 L225 Y226 L301 I304I110-F119 HydrophobicContact CB-CZ 4.12Å; I110-F119 HydrophobicContact CG2-CE1 3.97Å; I110-F119 HydrophobicContact CG2-CZ 3.78Å; R111-F119 HydrophobicContact CB-CE1 4.28Å; R111-F119 HydrophobicContact CB-CE2 4.09Å; R111-F119 HydrophobicContact CB-CZ 3.74Å; A114-F119 HydrophobicContact CB-CD1 4.37Å; A114-F119 HydrophobicContact CB-CE1 4.24Å; F119-T123 HydrophobicContact CB-CG2 4.07Å; F119-T123 HydrophobicContact CG-CG2 4.25Å; F119-V124 HydrophobicContact CB-CG2 3.81Å; F119-I127 HydrophobicContact CD2-CD1 3.74Å; F119-I127 HydrophobicContact CE2-CD1 3.94Å; F119-L225 HydrophobicContact CD2-CB 4.21Å; F119-L225 HydrophobicContact CD2-CD2 4.22Å; F119-L225 HydrophobicContact CE2-CD2 3.95Å; F119-L225 PolarHBondContact N-O 2.94Å; F119-Y226 WeakPolarHBondContact O-CD2 3.49Å; F119-L301 HydrophobicContact CD1-CD2 4.08Å; F119-L301 HydrophobicContact CE1-CD2 3.76Å; F119-L301 HydrophobicContact CE2-CD2 4.3Å; F119-L301 HydrophobicContact CG-CD2 4.49Å; F119-L301 HydrophobicContact CZ-CD2 3.87Å; F119-I304 HydrophobicContact CE1-CD1 4.23Å
120D93.7Very high93.6Very high85 Ų8547.1 Ų47.146%0.45523%0.226SC..  trans-65.4158.417073.791.9000111.3G122 T123 V124D120-G122 VanDerWaalsContact C-N 3.29Å; D120-G122 PolarHBondContact O-N 3.06Å; D120-G122 VanDerWaalsContact OD1-CA 3.31Å; D120-G122 WeakPolarHBondContact OD1-CA 3.15Å; D120-G122 PolarHBondContact OD1-N 3.14Å; D120-T123 PolarHBondContact O-N 3.04Å; D120-T123 PolarHBondContact OD1-N 3.32Å; D120-T123 WeakPolarHBondContact OD2-CB 3.16Å; D120-T123 PolarHBondContact OD2-OG1 2.89Å; D120-V124 WeakPolarHBondContact O-CG2 3.41Å; D120-V124 PolarHBondContact O-N 3.41Å
121L95.5Very high93.9Very high27 Ų2747.1 Ų47.114%0.14123%0.226CC..Hα-helixtrans-62-35.6-175.9-176.457.8000112.9V124 L125 Y226 M257 P258 L293L121-V124 PolarHBondContact O-N 2.98Å; L121-L125 HydrophobicContact CD1-CD1 4.41Å; L121-L125 HydrophobicContact CD1-CG 4.36Å; L121-L125 HydrophobicContact CG-CD1 4.14Å; L121-L125 VanDerWaalsContact O-CG 3.29Å; L121-L125 WeakPolarHBondContact O-CG 3.28Å; L121-L125 PolarHBondContact O-N 3.02Å; L121-Y226 HydrophobicContact CB-CD2 4.11Å; L121-Y226 HydrophobicContact CB-CE2 3.67Å; L121-Y226 HydrophobicContact CD1-CD1 4.21Å; L121-Y226 HydrophobicContact CD1-CD2 4.37Å; L121-Y226 HydrophobicContact CD1-CE1 4.14Å; L121-Y226 HydrophobicContact CD1-CE2 4.37Å; L121-Y226 HydrophobicContact CD1-CG 4.31Å; L121-M257 HydrophobicContact CD1-CE 4.2Å; L121-M257 HydrophobicContact CD1-CG 4.13Å; L121-P258 HydrophobicContact CD2-CG 4.4Å; L121-L293 HydrophobicContact CB-CD1 4.31Å; L121-L293 HydrophobicContact CD2-CD1 3.49Å; L121-L293 VanDerWaalsContact CD2-CD1 3.49Å; L121-L293 HydrophobicContact CG-CD1 3.63Å
122G96.1Very high94.1Very high7 Ų745.4 Ų45.47%0.07222%0.219CC..Hα-helixtrans-64.3-47178.400000111.3D120 L125 R126D120-G122 VanDerWaalsContact C-N 3.29Å; D120-G122 PolarHBondContact O-N 3.06Å; D120-G122 VanDerWaalsContact OD1-CA 3.31Å; D120-G122 WeakPolarHBondContact OD1-CA 3.15Å; D120-G122 PolarHBondContact OD1-N 3.14Å; G122-L125 PolarHBondContact O-N 3.22Å; G122-R126 WeakPolarHBondContact O-CG 3.42Å; G122-R126 PolarHBondContact O-N 3.23Å; G122-R126 VanDerWaalsContact O-N 3.08Å
123T95Very high94.5Very high1 Ų141.8 Ų41.81%0.00621%0.205CC..Hα-helixtrans-60.4-44.4173.7-63.80000111.5F119 D120 L125 R126 I127 L301F119-T123 HydrophobicContact CB-CG2 4.07Å; F119-T123 HydrophobicContact CG-CG2 4.25Å; D120-T123 PolarHBondContact O-N 3.04Å; D120-T123 PolarHBondContact OD1-N 3.32Å; D120-T123 WeakPolarHBondContact OD2-CB 3.16Å; D120-T123 PolarHBondContact OD2-OG1 2.89Å; T123-L125 VanDerWaalsContact C-N 3.34Å; T123-L125 PolarHBondContact O-N 3.08Å; T123-R126 PolarHBondContact O-N 2.91Å; T123-I127 HydrophobicContact CG2-CD1 3.98Å; T123-I127 WeakPolarHBondContact O-CG1 3.21Å; T123-I127 PolarHBondContact O-N 2.7Å; T123-L301 HydrophobicContact CG2-CD2 3.71Å; T123-L301 HydrophobicContact CG2-CG 4.44Å
124V96.9Very high95Very high0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-63-37.7177.6171.80000112.7F119 D120 L121 I127 G128 M222 L225 M257F119-V124 HydrophobicContact CB-CG2 3.81Å; D120-V124 WeakPolarHBondContact O-CG2 3.41Å; D120-V124 PolarHBondContact O-N 3.41Å; L121-V124 PolarHBondContact O-N 2.98Å; V124-I127 PolarHBondContact O-N 3.09Å; V124-G128 PolarHBondContact O-N 2.83Å; V124-M222 HydrophobicContact CG1-CB 3.72Å; V124-M222 HydrophobicContact CG1-CE 4.19Å; V124-M222 HydrophobicContact CG1-CG 4.13Å; V124-M222 WeakPolarHBondContact CG1-O 3.45Å; V124-L225 HydrophobicContact CG2-CB 3.95Å; V124-M257 HydrophobicContact CG1-CE 4.17Å
125L97.7Very high95.6Very high0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-66.8-41.4176-71.8165.7000111.7L121 G122 T123 G128 I129 M222 P258 I261 L286 A289 A290 L293L121-L125 HydrophobicContact CD1-CD1 4.41Å; L121-L125 HydrophobicContact CD1-CG 4.36Å; L121-L125 HydrophobicContact CG-CD1 4.14Å; L121-L125 VanDerWaalsContact O-CG 3.29Å; L121-L125 WeakPolarHBondContact O-CG 3.28Å; L121-L125 PolarHBondContact O-N 3.02Å; G122-L125 PolarHBondContact O-N 3.22Å; T123-L125 VanDerWaalsContact C-N 3.34Å; T123-L125 PolarHBondContact O-N 3.08Å; L125-G128 PolarHBondContact O-N 3.01Å; L125-G128 VanDerWaalsContact O-N 3.15Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.38Å; L125-I129 PolarHBondContact O-N 3.42Å; L125-M222 HydrophobicContact CD2-CE 4.12Å; L125-P258 HydrophobicContact CD1-CG 4.39Å; L125-I261 HydrophobicContact CD2-CD1 3.97Å; L125-L286 HydrophobicContact CD2-CD2 4.04Å; L125-A289 HydrophobicContact CD1-CB 4.16Å; L125-A289 HydrophobicContact CD2-CB 4.08Å; L125-A290 HydrophobicContact CB-CB 4.02Å; L125-A290 HydrophobicContact CD1-CB 4.38Å; L125-L293 HydrophobicContact CD1-CD1 3.53Å
126R97.2Very high96.3Very high27 Ų2728 Ų2810%0.10214%0.143CC..Hα-helixtrans-63.2-40.2174.6-66.9-65.8-179.7-154.4-6.6112.2G122 T123 G128 I129 Q130 D291 A295 P296 L299G122-R126 WeakPolarHBondContact O-CG 3.42Å; G122-R126 PolarHBondContact O-N 3.23Å; G122-R126 VanDerWaalsContact O-N 3.08Å; T123-R126 PolarHBondContact O-N 2.91Å; R126-G128 VanDerWaalsContact C-N 3.35Å; R126-I129 PolarHBondContact O-N 2.88Å; R126-Q130 PolarHBondContact O-N 3.12Å; R126-D291 IonicContact NH2-OD1 3.32Å; R126-D291 PolarHBondContact NH2-OD1 2.79Å; R126-A295 PolarHBondContact NH2-O 3.1Å; R126-P296 WeakPolarHBondContact CG-O 3.17Å; R126-P296 PolarHBondContact NE-O 2.85Å; R126-L299 HydrophobicContact CB-CD2 3.76Å
127I97.7Very high96.8Very high0 Ų023.2 Ų23.20%012%0.12CC..Hα-helixtrans-58.9-48.1170.4-70.5167.2000110.4L107 F119 T123 V124 I129 Q130 C131 I164 L225 L299L107-I127 HydrophobicContact CD1-CD1 4.47Å; L107-I127 HydrophobicContact CD1-CG2 3.59Å; L107-I127 HydrophobicContact CD2-CD1 4.05Å; L107-I127 HydrophobicContact CD2-CG1 4.36Å; F119-I127 HydrophobicContact CD2-CD1 3.74Å; F119-I127 HydrophobicContact CE2-CD1 3.94Å; T123-I127 HydrophobicContact CG2-CD1 3.98Å; T123-I127 WeakPolarHBondContact O-CG1 3.21Å; T123-I127 PolarHBondContact O-N 2.7Å; V124-I127 PolarHBondContact O-N 3.09Å; I127-I129 VanDerWaalsContact C-N 3.34Å; I127-I129 PolarHBondContact O-N 3.15Å; I127-Q130 PolarHBondContact O-N 3.35Å; I127-C131 WeakPolarHBondContact O-CB 3.5Å; I127-C131 PolarHBondContact O-N 3.46Å; I127-C131 PolarHBondContact O-SG 2.85Å; I127-I164 HydrophobicContact CB-CD1 4.03Å; I127-I164 HydrophobicContact CG1-CD1 3.8Å; I127-I164 HydrophobicContact CG2-CD1 4.05Å; I127-L225 HydrophobicContact CD1-CD1 4.22Å; I127-L225 HydrophobicContact CG2-CD1 4Å; I127-L299 HydrophobicContact CG1-CD2 3.99Å
128G98.3Very high97.1Very high0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-59-41.8-178.700000113.4V124 L125 R126 C131 A132V124-G128 PolarHBondContact O-N 2.83Å; L125-G128 PolarHBondContact O-N 3.01Å; L125-G128 VanDerWaalsContact O-N 3.15Å; R126-G128 VanDerWaalsContact C-N 3.35Å; G128-C131 PolarHBondContact O-N 3Å; G128-A132 VanDerWaalsContact O-CB 3.32Å; G128-A132 WeakPolarHBondContact O-CB 3.25Å; G128-A132 PolarHBondContact O-N 2.83Å
129I98.3Very high97.3Very high12 Ų1215.5 Ų15.56%0.0628%0.083CC..Hα-helixtrans-58.9-57.2176.9-68.8159.5000110.3L125 R126 I127 C131 A132 E133 I283 L286 V287 A290L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.38Å; L125-I129 PolarHBondContact O-N 3.42Å; R126-I129 PolarHBondContact O-N 2.88Å; I127-I129 VanDerWaalsContact C-N 3.34Å; I127-I129 PolarHBondContact O-N 3.15Å; I129-C131 VanDerWaalsContact C-N 3.31Å; I129-C131 PolarHBondContact O-N 3.44Å; I129-A132 WeakPolarHBondContact O-CB 3.39Å; I129-A132 PolarHBondContact O-N 3.43Å; I129-E133 WeakPolarHBondContact O-CG 3.17Å; I129-E133 PolarHBondContact O-N 3.23Å; I129-I283 HydrophobicContact CG2-CG2 4.35Å; I129-L286 HydrophobicContact CD1-CB 4.41Å; I129-L286 HydrophobicContact CG1-CB 3.61Å; I129-V287 HydrophobicContact CD1-CB 4.4Å; I129-V287 HydrophobicContact CD1-CG2 3.78Å; I129-V287 HydrophobicContact CG1-CG2 4.05Å; I129-V287 HydrophobicContact CG2-CG2 4.21Å; I129-A290 HydrophobicContact CD1-CB 4.23Å
130Q98.3Very high97.3Very high26 Ų2622.3 Ų22.312%0.12112%0.115CC..Hα-helixtrans-63.4-36.6-178.2-66.1-168.750.200112.8R126 I127 A132 E133 A134 D162 I164R126-Q130 PolarHBondContact O-N 3.12Å; I127-Q130 PolarHBondContact O-N 3.35Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-E133 WeakPolarHBondContact CA-OE2 3.43Å; Q130-E133 PolarHBondContact O-N 3.43Å; Q130-A134 WeakPolarHBondContact O-CB 3.47Å; Q130-A134 PolarHBondContact O-N 2.93Å; Q130-D162 PolarHBondContact NE2-O 3.47Å; Q130-D162 PolarHBondContact OE1-O 3.18Å; Q130-I164 HydrophobicContact CB-CB 4.18Å; Q130-I164 HydrophobicContact CB-CD1 4.23Å; Q130-I164 HydrophobicContact CB-CG1 4.47Å
131C98.6Very high97.4Very high0 Ų019.3 Ų19.30%010%0.103CC..Hα-helixtrans-68-35.9175.6-64.40000111.9I127 G128 I129 A134 L135 F153 L218 M221I127-C131 WeakPolarHBondContact O-CB 3.5Å; I127-C131 PolarHBondContact O-N 3.46Å; I127-C131 PolarHBondContact O-SG 2.85Å; G128-C131 PolarHBondContact O-N 3Å; I129-C131 VanDerWaalsContact C-N 3.31Å; I129-C131 PolarHBondContact O-N 3.44Å; C131-A134 PolarHBondContact O-N 3.39Å; C131-L135 WeakPolarHBondContact O-CB 3.09Å; C131-L135 VanDerWaalsContact O-CG 3.23Å; C131-L135 WeakPolarHBondContact O-CG 3.28Å; C131-L135 PolarHBondContact O-N 2.67Å; C131-F153 HydrophobicContact CB-CD1 4.39Å; C131-F153 HydrophobicContact CB-CE1 3.98Å; C131-F153 HydrophobicContact CB-CZ 4.3Å; C131-F153 VanDerWaalsContact SG-CD1 3.59Å; C131-L218 HydrophobicContact CB-CD1 3.53Å; C131-L218 HydrophobicContact CB-CD2 4.41Å; C131-M221 HydrophobicContact CB-CE 4.27Å
132A98.6Very high97.4Very high1 Ų118.2 Ų18.21%0.00810%0.098CC..Hα-helixtrans-67.7-41.4175.300000111.6G128 I129 Q130 L135 S136 M215 L218 I283 L286G128-A132 VanDerWaalsContact O-CB 3.32Å; G128-A132 WeakPolarHBondContact O-CB 3.25Å; G128-A132 PolarHBondContact O-N 2.83Å; I129-A132 WeakPolarHBondContact O-CB 3.39Å; I129-A132 PolarHBondContact O-N 3.43Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; A132-L135 PolarHBondContact O-N 3.32Å; A132-S136 WeakPolarHBondContact O-CB 3.33Å; A132-S136 PolarHBondContact O-N 2.9Å; A132-M215 HydrophobicContact CB-CE 4.07Å; A132-L218 HydrophobicContact CB-CD2 3.87Å; A132-I283 HydrophobicContact CB-CD1 4.44Å; A132-I283 HydrophobicContact CB-CG1 3.72Å; A132-L286 HydrophobicContact CB-CD1 4.46Å
133E98.5Very high97.5Very high72 Ų7218 Ų1834%0.33610%0.095SC..Hα-helixtrans-59.3-45.9172.6-69.7166.5160.500111H82 I129 Q130 L135 S136 A137 I283H82-E133 IonicContact CE1-OE2 2.92Å; H82-E133 IonicContact NE2-OE2 2.83Å; H82-E133 PolarHBondContact NE2-OE2 3.27Å; I129-E133 WeakPolarHBondContact O-CG 3.17Å; I129-E133 PolarHBondContact O-N 3.23Å; Q130-E133 WeakPolarHBondContact CA-OE2 3.43Å; Q130-E133 PolarHBondContact O-N 3.43Å; E133-L135 PolarHBondContact O-N 2.88Å; E133-S136 WeakPolarHBondContact O-CB 3.47Å; E133-S136 PolarHBondContact O-N 3.35Å; E133-A137 PolarHBondContact O-N 3.33Å; E133-A137 VanDerWaalsContact O-N 3.16Å; E133-I283 HydrophobicContact CG-CD1 3.89Å; E133-I283 HydrophobicContact CG-CG1 4.39Å; E133-I283 HydrophobicContact CG-CG2 4.38Å
134A98.4Very high97.6Very high1 Ų118 Ų181%0.00810%0.095CC..Hα-helixtrans-60.5-45.2175.800000112.5H82 Q130 C131 A137 V138 I166H82-A134 HydrophobicContact CB-CB 3.4Å; Q130-A134 WeakPolarHBondContact O-CB 3.47Å; Q130-A134 PolarHBondContact O-N 2.93Å; C131-A134 PolarHBondContact O-N 3.39Å; A134-A137 PolarHBondContact O-N 2.85Å; A134-V138 WeakPolarHBondContact O-CG2 3.28Å; A134-V138 PolarHBondContact O-N 2.76Å; A134-V138 VanDerWaalsContact O-N 3.13Å; A134-I166 HydrophobicContact CB-CD1 3.79Å; A134-I166 HydrophobicContact CB-CG1 4.1Å
135L98.7Very high97.6Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-67.9-37.9178.6-72.1173.9000111.9C131 A132 E133 A137 V138 H139 L145 V148 D214 M215 L218C131-L135 WeakPolarHBondContact O-CB 3.09Å; C131-L135 VanDerWaalsContact O-CG 3.23Å; C131-L135 WeakPolarHBondContact O-CG 3.28Å; C131-L135 PolarHBondContact O-N 2.67Å; A132-L135 PolarHBondContact O-N 3.32Å; E133-L135 PolarHBondContact O-N 2.88Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.5Å; L135-V138 PolarHBondContact O-N 2.83Å; L135-H139 WeakPolarHBondContact O-CB 3.34Å; L135-H139 PolarHBondContact O-N 3Å; L135-H139 PolarHBondContact O-ND1 3.18Å; L135-L145 HydrophobicContact CD2-CB 4.11Å; L135-L145 HydrophobicContact CD2-CD2 4.01Å; L135-V148 HydrophobicContact CD1-CG1 4.38Å; L135-V148 HydrophobicContact CD1-CG2 4.13Å; L135-V148 HydrophobicContact CD2-CG2 3.87Å; L135-D214 HydrophobicContact CD1-CB 4.28Å; L135-D214 HydrophobicContact CD2-CB 4.12Å; L135-M215 HydrophobicContact CB-SD 4.27Å; L135-M215 HydrophobicContact CD1-SD 3.93Å; L135-L218 HydrophobicContact CD1-CB 4.13Å; L135-L218 HydrophobicContact CD1-CD2 4.2Å
136S98.3Very high97.6Very high24 Ų2420.1 Ų20.117%0.16810%0.103CC..Hα-helixtrans-54.1-50.2173.2-171.60000110.7A132 E133 V138 H139 E140 H279A132-S136 WeakPolarHBondContact O-CB 3.33Å; A132-S136 PolarHBondContact O-N 2.9Å; E133-S136 WeakPolarHBondContact O-CB 3.47Å; E133-S136 PolarHBondContact O-N 3.35Å; S136-V138 PolarHBondContact O-N 2.91Å; S136-H139 PolarHBondContact O-N 2.89Å; S136-H139 VanDerWaalsContact O-N 3.16Å; S136-E140 WeakPolarHBondContact O-CB 3.48Å; S136-E140 PolarHBondContact O-N 3.44Å; S136-H279 WeakPolarHBondContact OG-CB 3.35Å
137A97.8Very high97.5Very high21 Ų2119.1 Ų19.117%0.17410%0.1CC..Hα-helixtrans-61.4-39.6177.100000113.1L77 C80 E133 A134 L135 A141L77-A137 HydrophobicContact CD2-CB 4.12Å; L77-A137 VanDerWaalsContact CD2-O 3.29Å; L77-A137 WeakPolarHBondContact CD2-O 3.35Å; C80-A137 HydrophobicContact CB-CB 4.23Å; E133-A137 PolarHBondContact O-N 3.33Å; E133-A137 VanDerWaalsContact O-N 3.16Å; A134-A137 PolarHBondContact O-N 2.85Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.5Å; A137-A141 WeakPolarHBondContact O-CB 3.43Å; A137-A141 PolarHBondContact O-N 3.13Å
138V98Very high97.5Very high1 Ų119.3 Ų19.31%0.00610%0.101CC..Hα-helixtrans-62.6-43.6175.3172.50000111.5L77 A134 L135 S136 A141 F143 L145 I166 F169L77-V138 HydrophobicContact CD1-CG2 3.87Å; A134-V138 WeakPolarHBondContact O-CG2 3.28Å; A134-V138 PolarHBondContact O-N 2.76Å; A134-V138 VanDerWaalsContact O-N 3.13Å; L135-V138 PolarHBondContact O-N 2.83Å; S136-V138 PolarHBondContact O-N 2.91Å; V138-A141 PolarHBondContact O-N 3.11Å; V138-F143 CarbonylContact C-O 3.47Å; V138-F143 HydrophobicContact CG1-CB 3.96Å; V138-F143 PolarHBondContact O-N 2.87Å; V138-F143 VanDerWaalsContact O-N 3.11Å; V138-F143 VanDerWaalsContact O-O 3.14Å; V138-L145 HydrophobicContact CG1-CB 4.47Å; V138-I166 HydrophobicContact CG2-CD1 3.77Å; V138-F169 HydrophobicContact CG2-CE1 3.9Å
139H97.5Very high97.4Very high5 Ų520.2 Ų20.22%0.02310%0.104CC..Hα-helixtrans-67.3-43.5179.1-60.2147.3000111.9L135 S136 A141 G142 F143 I211 D214 H279L135-H139 WeakPolarHBondContact O-CB 3.34Å; L135-H139 PolarHBondContact O-N 3Å; L135-H139 PolarHBondContact O-ND1 3.18Å; S136-H139 PolarHBondContact O-N 2.89Å; S136-H139 VanDerWaalsContact O-N 3.16Å; H139-A141 VanDerWaalsContact C-N 3.27Å; H139-A141 PolarHBondContact O-N 3.16Å; H139-G142 WeakPolarHBondContact O-CA 3.32Å; H139-G142 PolarHBondContact O-N 2.93Å; H139-F143 WeakPolarHBondContact CA-O 3.46Å; H139-F143 PolarHBondContact CD2-O 3.37Å; H139-I211 HydrophobicContact CB-CB 4.39Å; H139-I211 HydrophobicContact CB-CG2 3.85Å; H139-I211 VanDerWaalsContact CD2-CG2 3.42Å; H139-I211 WeakPolarHBondContact CD2-CG2 3.29Å; H139-I211 PolarHBondContact CE1-O 2.95Å; H139-D214 IonicContact NE2-OD2 3.1Å; H139-D214 PolarHBondContact NE2-OD2 3.3Å; H139-H279 AromaticContact CE1-NE2 3.59Å; H139-H279 AromaticContact CG-NE2 3.88Å; H139-H279 AromaticContact ND1-CD2 3.73Å; H139-H279 AromaticContact ND1-CE1 3.5Å; H139-H279 AromaticContact ND1-NE2 2.84Å; H139-H279 PolarHBondContact ND1-NE2 3.45Å
140E95.2Very high97.3Very high158 Ų15819.7 Ų19.774%0.73810%0.101SC*.Hα-helixtrans-61.6-35.6175.3-172.2179.7-175.500111.8S136 G142S136-E140 WeakPolarHBondContact O-CB 3.48Å; S136-E140 PolarHBondContact O-N 3.44Å; E140-G142 PolarHBondContact O-N 3.39Å; E140-G142 VanDerWaalsContact O-N 3.13Å
141A95.1Very high97.1Very high23 Ų2321 Ų2119%0.1911%0.107CC..THydrogen-bonded Turntrans-69.6-3.117300000114R76 L77 A137 V138 H139 F143R76-A141 HydrophobicContact CB-CB 4.26Å; L77-A141 HydrophobicContact CD2-CB 3.75Å; L77-A141 HydrophobicContact CG-CB 4.48Å; A137-A141 WeakPolarHBondContact O-CB 3.43Å; A137-A141 PolarHBondContact O-N 3.13Å; V138-A141 PolarHBondContact O-N 3.11Å; H139-A141 VanDerWaalsContact C-N 3.27Å; H139-A141 PolarHBondContact O-N 3.16Å; A141-F143 HydrophobicContact CB-CD2 4.02Å; A141-F143 HydrophobicContact CB-CE2 4.44Å; A141-F143 WeakPolarHBondContact O-CD2 3.37Å; A141-F143 WeakPolarHBondContact O-CE2 3.48Å
142G96Very high96.9Very high4 Ų421.2 Ų21.24%0.04111%0.108CC..THydrogen-bonded Turntrans8822.3176.700000114.6H139 E140 I175 Q176H139-G142 WeakPolarHBondContact O-CA 3.32Å; H139-G142 PolarHBondContact O-N 2.93Å; E140-G142 PolarHBondContact O-N 3.39Å; E140-G142 VanDerWaalsContact O-N 3.13Å; G142-I175 WeakPolarHBondContact O-CG1 3.41Å; G142-I175 PolarHBondContact O-N 2.59Å; G142-Q176 PolarHBondContact O-N 2.92Å
143F97Very high96.8Very high2 Ų221.2 Ų21.21%0.00911%0.108CC..EExtended strand (participates in β ladder)trans-123.8157.9-178.1-60.9-91.4000112.7F72 I73 V138 H139 A141 L173 Q174F72-F143 AromaticContact CD1-CZ 3.9Å; F72-F143 HydrophobicContact CD1-CZ 3.9Å; F72-F143 AromaticContact CE1-CZ 3.85Å; F72-F143 HydrophobicContact CE1-CZ 3.85Å; I73-F143 HydrophobicContact CD1-CD1 3.78Å; I73-F143 HydrophobicContact CD1-CE1 3.9Å; I73-F143 HydrophobicContact CD1-CG 4.3Å; I73-F143 HydrophobicContact CG1-CD1 3.76Å; I73-F143 HydrophobicContact CG1-CD2 4.17Å; I73-F143 HydrophobicContact CG1-CE1 3.55Å; I73-F143 HydrophobicContact CG1-CE2 4Å; I73-F143 HydrophobicContact CG1-CG 4.08Å; I73-F143 HydrophobicContact CG1-CZ 3.69Å; V138-F143 CarbonylContact C-O 3.47Å; V138-F143 HydrophobicContact CG1-CB 3.96Å; V138-F143 PolarHBondContact O-N 2.87Å; V138-F143 VanDerWaalsContact O-N 3.11Å; V138-F143 VanDerWaalsContact O-O 3.14Å; H139-F143 WeakPolarHBondContact CA-O 3.46Å; H139-F143 PolarHBondContact CD2-O 3.37Å; A141-F143 HydrophobicContact CB-CD2 4.02Å; A141-F143 HydrophobicContact CB-CE2 4.44Å; A141-F143 WeakPolarHBondContact O-CD2 3.37Å; A141-F143 WeakPolarHBondContact O-CE2 3.48Å; F143-L173 CarbonylContact C-O 3.56Å; F143-L173 WeakPolarHBondContact CA-O 3.5Å; F143-Q174 HydrophobicContact CD1-CB 3.86Å; F143-Q174 HydrophobicContact CD1-CG 4.33Å; F143-Q174 HydrophobicContact CE1-CB 3.62Å; F143-Q174 HydrophobicContact CE1-CG 3.91Å; F143-Q174 HydrophobicContact CZ-CB 4.45Å; F143-Q174 HydrophobicContact CZ-CG 4.28Å
144V97.6Very high96.6Very high0 Ų017.8 Ų17.80%09%0.092CC..EExtended strand (participates in β ladder)trans-116.2133.4164.8179.40000107R146 A172 L173 I175 L209 I211 D214V144-R146 HydrophobicContact CB-CG 4.19Å; V144-R146 HydrophobicContact CG1-CG 3.72Å; V144-A172 CarbonylContact O-C 3.57Å; V144-A172 WeakPolarHBondContact O-CA 3.38Å; V144-A172 WeakPolarHBondContact O-CB 3.44Å; V144-L173 PolarHBondContact N-O 2.98Å; V144-L173 PolarHBondContact O-N 2.83Å; V144-I175 HydrophobicContact CB-CG2 4.32Å; V144-I175 HydrophobicContact CG2-CB 4.38Å; V144-I175 HydrophobicContact CG2-CD1 3.61Å; V144-I175 HydrophobicContact CG2-CG1 3.98Å; V144-I175 HydrophobicContact CG2-CG2 3.59Å; V144-L209 HydrophobicContact CG1-CB 4.49Å; V144-I211 HydrophobicContact CG2-CG2 3.97Å; V144-D214 VanDerWaalsContact CG1-OD2 3.28Å; V144-D214 WeakPolarHBondContact CG1-OD2 3.42Å
145L96.9Very high96.4Very high1 Ų117.7 Ų17.71%0.0059%0.092CC..  trans-70.8-39.1-177.2-170.162.5000112.6L135 V138 D147 V148 F153 I166 F169 S171 A172 D214L135-L145 HydrophobicContact CD2-CB 4.11Å; L135-L145 HydrophobicContact CD2-CD2 4.01Å; V138-L145 HydrophobicContact CG1-CB 4.47Å; L145-D147 PolarHBondContact O-N 3.3Å; L145-V148 HydrophobicContact CB-CG2 4.48Å; L145-V148 HydrophobicContact CD2-CG2 4.17Å; L145-F153 HydrophobicContact CD2-CZ 4.33Å; L145-I166 HydrophobicContact CD1-CG2 4.06Å; L145-I166 HydrophobicContact CD2-CD1 4.2Å; L145-I166 HydrophobicContact CD2-CG1 4.49Å; L145-I166 HydrophobicContact CD2-CG2 4.11Å; L145-F169 HydrophobicContact CD1-CD1 3.71Å; L145-F169 HydrophobicContact CD1-CE1 4.1Å; L145-F169 HydrophobicContact CD1-CG 4.44Å; L145-S171 CarbonylContact O-C 3.54Å; L145-A172 WeakPolarHBondContact O-CA 3.4Å; L145-A172 PolarHBondContact O-N 3.33Å; L145-D214 WeakPolarHBondContact CA-OD2 3.33Å; L145-D214 WeakPolarHBondContact CB-OD2 3.2Å; L145-D214 PolarHBondContact N-OD2 2.75Å
146R96.7Very high96Very high44 Ų4418 Ų1817%0.16610%0.095CC..  trans64.3-5.5177.5-55.1-165.4-58.1178.9-2.5117.1V144 S171 L173 G194 E208 L209 D214V144-R146 HydrophobicContact CB-CG 4.19Å; V144-R146 HydrophobicContact CG1-CG 3.72Å; R146-S171 VanDerWaalsContact CZ-O 3.26Å; R146-S171 PolarHBondContact NE-O 3.35Å; R146-S171 PolarHBondContact NH2-O 3.19Å; R146-L173 HydrophobicContact CG-CB 4.36Å; R146-G194 WeakPolarHBondContact O-CA 3.12Å; R146-E208 IonicContact NH1-OE1 3.05Å; R146-L209 HydrophobicContact CB-CD1 4.02Å; R146-L209 HydrophobicContact CG-CB 4.17Å; R146-L209 HydrophobicContact CG-CD1 3.94Å; R146-D214 WeakPolarHBondContact CA-OD1 3.48Å; R146-D214 PolarHBondContact N-OD1 3.34Å
147D96Very high95.4Very high7 Ų719.2 Ų19.24%0.03710%0.1CC..  trans-134.549.9177.4-165.327.9000111.9L145 R149 N152 G194 S195L145-D147 PolarHBondContact O-N 3.3Å; D147-R149 PolarHBondContact O-N 2.87Å; D147-R149 WeakPolarHBondContact OD1-CD 3.44Å; D147-R149 IonicContact OD1-CZ 3.55Å; D147-R149 IonicContact OD1-NE 2.63Å; D147-R149 PolarHBondContact OD1-NE 3.42Å; D147-R149 IonicContact OD1-NH2 3.59Å; D147-R149 IonicContact OD2-CZ 3.66Å; D147-R149 VanDerWaalsContact OD2-CZ 3.26Å; D147-R149 IonicContact OD2-NE 3.2Å; D147-R149 PolarHBondContact OD2-NE 3.1Å; D147-R149 IonicContact OD2-NH2 3.84Å; D147-R149 PolarHBondContact OD2-NH2 2.93Å; D147-N152 VanDerWaalsContact CG-ND2 3.28Å; D147-N152 PolarHBondContact O-ND2 2.87Å; D147-N152 PolarHBondContact OD2-ND2 3.1Å; D147-G194 VanDerWaalsContact OD1-CA 3.22Å; D147-G194 WeakPolarHBondContact OD1-CA 3.15Å; D147-S195 PolarHBondContact OD1-N 3.4Å
148V98.3Very high94.8Very high3 Ų327.7 Ų27.72%0.01813%0.128CC..  trans-68.5110.7174.7-177.30000109.7L135 L145 F153 H198 D214 L218 M221L135-V148 HydrophobicContact CD1-CG1 4.38Å; L135-V148 HydrophobicContact CD1-CG2 4.13Å; L135-V148 HydrophobicContact CD2-CG2 3.87Å; L145-V148 HydrophobicContact CB-CG2 4.48Å; L145-V148 HydrophobicContact CD2-CG2 4.17Å; V148-F153 HydrophobicContact CB-CE2 4.44Å; V148-F153 HydrophobicContact CG1-CE2 3.76Å; V148-F153 HydrophobicContact CG1-CZ 4.14Å; V148-H198 WeakPolarHBondContact O-CB 3.38Å; V148-D214 HydrophobicContact CG2-CB 3.9Å; V148-L218 HydrophobicContact CG1-CB 4.14Å; V148-M221 HydrophobicContact CG1-SD 4.44Å
149R96.7Very high94.2Very high20 Ų2036.7 Ų36.78%0.07517%0.17CC..SBendtrans-163.7160.1179.964-175.6173165.3-21.7111.5D147 E151 N152 F153 H198D147-R149 PolarHBondContact O-N 2.87Å; D147-R149 WeakPolarHBondContact OD1-CD 3.44Å; D147-R149 IonicContact OD1-CZ 3.55Å; D147-R149 IonicContact OD1-NE 2.63Å; D147-R149 PolarHBondContact OD1-NE 3.42Å; D147-R149 IonicContact OD1-NH2 3.59Å; D147-R149 IonicContact OD2-CZ 3.66Å; D147-R149 VanDerWaalsContact OD2-CZ 3.26Å; D147-R149 IonicContact OD2-NE 3.2Å; D147-R149 PolarHBondContact OD2-NE 3.1Å; D147-R149 IonicContact OD2-NH2 3.84Å; D147-R149 PolarHBondContact OD2-NH2 2.93Å; R149-E151 WeakPolarHBondContact CD-OE2 3.44Å; R149-E151 HydrophobicContact CG-CB 4.29Å; R149-E151 VanDerWaalsContact CG-OE2 3.32Å; R149-E151 WeakPolarHBondContact CG-OE2 3.36Å; R149-E151 PolarHBondContact O-N 2.8Å; R149-N152 HydrophobicContact CG-CB 4.32Å; R149-N152 PolarHBondContact O-N 2.89Å; R149-F153 WeakPolarHBondContact O-CD2 3.4Å; R149-H198 HydrophobicContact CB-CB 4.35Å; R149-H198 VanDerWaalsContact CB-ND1 3.32Å; R149-H198 WeakPolarHBondContact CB-ND1 3.23Å
150P96Very high93.8Very high0 Ų040.9 Ų40.90%019%0.193CC..G310 helixtrans-59-25.7-174.9-24.534.2000114.9L107 A108 N152 F153 H198 M221 L225L107-P150 HydrophobicContact CB-CB 3.95Å; L107-P150 PolarHBondContact N-O 3.29Å; L107-P150 VanDerWaalsContact N-O 3.17Å; A108-P150 HydrophobicContact CB-CB 3.79Å; A108-P150 PolarHBondContact N-O 3.26Å; P150-N152 VanDerWaalsContact C-N 3.28Å; P150-N152 PolarHBondContact O-N 3.25Å; P150-F153 VanDerWaalsContact O-O 3.1Å; P150-H198 WeakPolarHBondContact CD-CE1 3.38Å; P150-M221 HydrophobicContact CG-CG 3.7Å; P150-M221 HydrophobicContact CG-SD 4.11Å; P150-M221 VanDerWaalsContact N-SD 3.39Å; P150-L225 HydrophobicContact CB-CD2 4.03Å; P150-L225 HydrophobicContact CG-CD2 3.81Å; P150-L225 HydrophobicContact CG-CG 4.23Å
151E93.6Very high93.5Very high54 Ų5437.2 Ų37.225%0.25217%0.174SC..G310 helixtrans-69.7-21.5176.7-63.785.7167.400114.1A108 R149 P318A108-E151 HydrophobicContact CB-CG 3.74Å; R149-E151 WeakPolarHBondContact CD-OE2 3.44Å; R149-E151 HydrophobicContact CG-CB 4.29Å; R149-E151 VanDerWaalsContact CG-OE2 3.32Å; R149-E151 WeakPolarHBondContact CG-OE2 3.36Å; R149-E151 PolarHBondContact O-N 2.8Å; E151-P318 HydrophobicContact CG-CG 4.33Å
152N95.2Very high93.3Very high4 Ų438.6 Ų38.62%0.02118%0.179CC..G310 helixtrans-101.11.7-176.2-73.4-12.5000113.3D147 R149 P150 I166 V167D147-N152 VanDerWaalsContact CG-ND2 3.28Å; D147-N152 PolarHBondContact O-ND2 2.87Å; D147-N152 PolarHBondContact OD2-ND2 3.1Å; R149-N152 HydrophobicContact CG-CB 4.32Å; R149-N152 PolarHBondContact O-N 2.89Å; P150-N152 VanDerWaalsContact C-N 3.28Å; P150-N152 PolarHBondContact O-N 3.25Å; N152-I166 WeakPolarHBondContact O-CA 3.24Å; N152-V167 PolarHBondContact O-N 3.39Å
153F95.9Very high93.2Very high1 Ų140.2 Ų40.20%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-119.8127.5173.9-68.1-85.6000108.8D106 L107 C131 L145 V148 R149 P150 I164 S165 I166 M221D106-F153 CarbonylContact C-O 3.56Å; D106-F153 VanDerWaalsContact CA-O 3.28Å; D106-F153 WeakPolarHBondContact CA-O 3.49Å; L107-F153 HydrophobicContact CD1-CB 3.73Å; L107-F153 HydrophobicContact CG-CB 4.17Å; L107-F153 PolarHBondContact N-O 2.84Å; C131-F153 HydrophobicContact CB-CD1 4.39Å; C131-F153 HydrophobicContact CB-CE1 3.98Å; C131-F153 HydrophobicContact CB-CZ 4.3Å; C131-F153 VanDerWaalsContact SG-CD1 3.59Å; L145-F153 HydrophobicContact CD2-CZ 4.33Å; V148-F153 HydrophobicContact CB-CE2 4.44Å; V148-F153 HydrophobicContact CG1-CE2 3.76Å; V148-F153 HydrophobicContact CG1-CZ 4.14Å; R149-F153 WeakPolarHBondContact O-CD2 3.4Å; P150-F153 VanDerWaalsContact O-O 3.1Å; F153-I164 HydrophobicContact CB-CG2 3.78Å; F153-I164 HydrophobicContact CD1-CG2 3.86Å; F153-I164 HydrophobicContact CG-CG2 4.26Å; F153-S165 WeakPolarHBondContact CA-O 3.29Å; F153-I166 HydrophobicContact CD1-CG1 4.03Å; F153-I166 HydrophobicContact CE1-CD1 4.31Å; F153-I166 HydrophobicContact CE1-CG1 3.55Å; F153-I166 HydrophobicContact CZ-CG1 4.24Å; F153-M221 HydrophobicContact CD2-CE 3.91Å; F153-M221 HydrophobicContact CD2-SD 3.81Å; F153-M221 HydrophobicContact CE2-CE 4.04Å; F153-M221 HydrophobicContact CE2-SD 4.07Å
154A94.1Very high93.2Very high0 Ų040.1 Ų40.10%019%0.187CC..EExtended strand (participates in β ladder)trans-134.4150.5-17800000111.1V103 P105 D106 I164 S165 V167 A312V103-A154 HydrophobicContact CB-CB 4.5Å; V103-A154 HydrophobicContact CG2-CB 3.74Å; P105-A154 WeakPolarHBondContact O-CA 3.46Å; D106-A154 HydrophobicContact CB-CB 4.35Å; A154-I164 CarbonylContact O-C 3.5Å; A154-I164 WeakPolarHBondContact O-CA 3.47Å; A154-S165 PolarHBondContact N-O 3.46Å; A154-S165 PolarHBondContact O-N 3.18Å; A154-V167 HydrophobicContact CB-CG1 3.73Å; A154-A312 HydrophobicContact CB-CB 3.41Å; A154-A312 VanDerWaalsContact CB-CB 3.41Å
155I93.4Very high93.1Very high0 Ų040.5 Ų40.50%019%0.19CC..EExtended strand (participates in β ladder)trans-76.2154.4175.360.8174000110.8G104 P105 I110 V163 L299 L301 I306G104-I155 VanDerWaalsContact CA-O 3.24Å; G104-I155 WeakPolarHBondContact CA-O 3.4Å; G104-I155 PolarHBondContact N-O 2.94Å; P105-I155 HydrophobicContact CG-CD1 4.13Å; P105-I155 HydrophobicContact CG-CG1 4.23Å; P105-I155 PolarHBondContact O-N 3.03Å; I110-I155 HydrophobicContact CD1-CD1 3.72Å; I110-I155 HydrophobicContact CD1-CG1 3.95Å; I110-I155 HydrophobicContact CD1-CG2 3.99Å; I155-V163 CarbonylContact C-O 3.59Å; I155-V163 VanDerWaalsContact CA-O 3.27Å; I155-V163 WeakPolarHBondContact CA-O 3.22Å; I155-L299 HydrophobicContact CG2-CD1 4.25Å; I155-L301 HydrophobicContact CG2-CD1 3.77Å; I155-I306 HydrophobicContact CD1-CD1 3.75Å; I155-I306 HydrophobicContact CD1-CG1 4.39Å; I155-I306 HydrophobicContact CD1-CG2 3.64Å
156G90.6Very high93.1Very high7 Ų740.5 Ų40.57%0.07219%0.19CC..  trans-67.6-179.4172.200000112.9D160 V163G156-D160 WeakPolarHBondContact CA-O 3.36Å; G156-D160 PolarHBondContact N-O 3.24Å; G156-V163 PolarHBondContact N-O 3.12Å
157L86.1Confident92.8Very high49 Ų4938.8 Ų38.826%0.25718%0.184SC..SBendtrans-107.4152.8175.9-66.2171.2000109.6M102 E159 D160M102-L157 HydrophobicContact CB-CD1 3.77Å; L157-E159 PolarHBondContact O-N 3.26Å; L157-E159 VanDerWaalsContact O-N 3.16Å; L157-D160 PolarHBondContact O-N 2.96Å
158Y85.4Confident92.5Very high199 Ų19939 Ų3978%0.7819%0.186SC*.G310 helixtrans55.4-115172.5-45.9-69000113D160 K161Y158-D160 VanDerWaalsContact C-N 3.27Å; Y158-D160 PolarHBondContact O-N 3.2Å; Y158-K161 WeakPolarHBondContact O-CB 3.37Å; Y158-K161 WeakPolarHBondContact O-CG 3.32Å; Y158-K161 PolarHBondContact O-N 2.87Å
159E85.8Confident92.3Very high190 Ų19039 Ų3989%0.88819%0.185SC*.G310 helixtrans-70.5-23.3-179.2-56.7-156.4-15600112.7L157 K161L157-E159 PolarHBondContact O-N 3.26Å; L157-E159 VanDerWaalsContact O-N 3.16Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 3.34Å
160D88Confident91.9Very high92 Ų9238.9 Ų38.949%0.49219%0.19SC..G310 helixtrans-89.113.3177.3-64.2-37.2000112.6G156 L157 Y158 D162 V163G156-D160 WeakPolarHBondContact CA-O 3.36Å; G156-D160 PolarHBondContact N-O 3.24Å; L157-D160 PolarHBondContact O-N 2.96Å; Y158-D160 VanDerWaalsContact C-N 3.27Å; Y158-D160 PolarHBondContact O-N 3.2Å; D160-D162 PolarHBondContact O-N 2.86Å; D160-V163 HydrophobicContact CB-CB 4.39Å; D160-V163 HydrophobicContact CB-CG2 4.3Å; D160-V163 WeakPolarHBondContact O-CB 3.32Å; D160-V163 PolarHBondContact O-N 2.75Å
161K88.6Confident91.7Very high81 Ų8139.7 Ų39.735%0.35220%0.196SC..THydrogen-bonded Turntrans-58.9-22.1-175.267.2172.2-166.41530114.7Y158 E159 D302Y158-K161 WeakPolarHBondContact O-CB 3.37Å; Y158-K161 WeakPolarHBondContact O-CG 3.32Å; Y158-K161 PolarHBondContact O-N 2.87Å; E159-K161 VanDerWaalsContact C-N 3.29Å; E159-K161 PolarHBondContact O-N 3.34Å; K161-D302 IonicContact NZ-OD1 3.99Å; K161-D302 PolarHBondContact NZ-OD1 2.69Å; K161-D302 IonicContact NZ-OD2 3.97Å; K161-D302 PolarHBondContact NZ-OD2 3.37Å
162D90.9Very high91.7Very high52 Ų5237.1 Ų37.128%0.27818%0.184SC..THydrogen-bonded Turntrans-93.2-1177.4-77.8-54.9000113Q130 D160 L299Q130-D162 PolarHBondContact NE2-O 3.47Å; Q130-D162 PolarHBondContact OE1-O 3.18Å; D160-D162 PolarHBondContact O-N 2.86Å; D162-L299 VanDerWaalsContact O-CD1 3.24Å; D162-L299 WeakPolarHBondContact O-CD1 3.49Å; D162-L299 PolarHBondContact OD1-N 3.36Å
163V94.6Very high91.6Very high38 Ų3838.5 Ų38.523%0.2319%0.191CC..  trans-96.1128.8178.5-1780000109.9P81 I155 G156 D160P81-V163 WeakPolarHBondContact O-CG1 3.14Å; I155-V163 CarbonylContact C-O 3.59Å; I155-V163 VanDerWaalsContact CA-O 3.27Å; I155-V163 WeakPolarHBondContact CA-O 3.22Å; G156-V163 PolarHBondContact N-O 3.12Å; D160-V163 HydrophobicContact CB-CB 4.39Å; D160-V163 HydrophobicContact CB-CG2 4.3Å; D160-V163 WeakPolarHBondContact O-CB 3.32Å; D160-V163 PolarHBondContact O-N 2.75Å
164I96.5Very high91.6Very high1 Ų141.9 Ų41.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-96128.5173.8-61.4176.3000108.9H82 I127 Q130 F153 A154 L299H82-I164 WeakPolarHBondContact CA-O 3.25Å; H82-I164 VanDerWaalsContact CB-O 3.32Å; H82-I164 WeakPolarHBondContact CB-O 3.43Å; H82-I164 PolarHBondContact ND1-O 3.04Å; I127-I164 HydrophobicContact CB-CD1 4.03Å; I127-I164 HydrophobicContact CG1-CD1 3.8Å; I127-I164 HydrophobicContact CG2-CD1 4.05Å; Q130-I164 HydrophobicContact CB-CB 4.18Å; Q130-I164 HydrophobicContact CB-CD1 4.23Å; Q130-I164 HydrophobicContact CB-CG1 4.47Å; F153-I164 HydrophobicContact CB-CG2 3.78Å; F153-I164 HydrophobicContact CD1-CG2 3.86Å; F153-I164 HydrophobicContact CG-CG2 4.26Å; A154-I164 CarbonylContact O-C 3.5Å; A154-I164 WeakPolarHBondContact O-CA 3.47Å; I164-L299 HydrophobicContact CD1-CD1 3.82Å; I164-L299 HydrophobicContact CD1-CD2 4.24Å; I164-L299 HydrophobicContact CG1-CD1 3.6Å
165S95.9Very high91.7Very high7 Ų742.2 Ų42.25%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-118.1144.7176.1-51.80000112.6H82 F153 A154H82-S165 CarbonylContact O-C 3.53Å; H82-S165 VanDerWaalsContact O-CA 3.25Å; H82-S165 WeakPolarHBondContact O-CA 3.34Å; F153-S165 WeakPolarHBondContact CA-O 3.29Å; A154-S165 PolarHBondContact N-O 3.46Å; A154-S165 PolarHBondContact O-N 3.18Å
166I96.1Very high91.7Very high1 Ų143.1 Ų43.11%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-72.7131.8165.9-59.2167.1000108.9H82 A134 V138 L145 N152 F153 F169H82-I166 PolarHBondContact O-N 3.12Å; A134-I166 HydrophobicContact CB-CD1 3.79Å; A134-I166 HydrophobicContact CB-CG1 4.1Å; V138-I166 HydrophobicContact CG2-CD1 3.77Å; L145-I166 HydrophobicContact CD1-CG2 4.06Å; L145-I166 HydrophobicContact CD2-CD1 4.2Å; L145-I166 HydrophobicContact CD2-CG1 4.49Å; L145-I166 HydrophobicContact CD2-CG2 4.11Å; N152-I166 WeakPolarHBondContact O-CA 3.24Å; F153-I166 HydrophobicContact CD1-CG1 4.03Å; F153-I166 HydrophobicContact CE1-CD1 4.31Å; F153-I166 HydrophobicContact CE1-CG1 3.55Å; F153-I166 HydrophobicContact CZ-CG1 4.24Å; I166-F169 HydrophobicContact CB-CE1 4.31Å; I166-F169 HydrophobicContact CB-CE2 4.17Å; I166-F169 HydrophobicContact CB-CZ 3.69Å; I166-F169 HydrophobicContact CD1-CE1 4.19Å; I166-F169 HydrophobicContact CD1-CZ 4.22Å; I166-F169 HydrophobicContact CG2-CD1 4.36Å; I166-F169 HydrophobicContact CG2-CD2 4.37Å; I166-F169 HydrophobicContact CG2-CE1 3.8Å; I166-F169 HydrophobicContact CG2-CE2 3.78Å; I166-F169 HydrophobicContact CG2-CZ 3.48Å; I166-F169 VanDerWaalsContact CG2-CZ 3.48Å
167V91.8Very high91.8Very high9 Ų947.7 Ų47.76%0.05523%0.231CC..  trans-112.7-7.3-175.1-59.70000115.5K56 V103 N152 A154 A312K56-V167 PolarHBondContact NZ-O 2.96Å; V103-V167 HydrophobicContact CG2-CG1 3.45Å; V103-V167 VanDerWaalsContact CG2-CG1 3.45Å; N152-V167 PolarHBondContact O-N 3.39Å; A154-V167 HydrophobicContact CB-CG1 3.73Å; V167-A312 HydrophobicContact CG1-CB 4.46Å
168D89.6Confident91.8Very high12 Ų1247.9 Ų47.96%0.06425%0.245CC..  trans-147.5115.6-179-164.1-25.6000111.6R66 G170R66-D168 IonicContact NH2-OD1 2.73Å; R66-D168 PolarHBondContact NH2-OD1 2.92Å; R66-D168 VanDerWaalsContact NH2-OD1 3.1Å; R66-D168 IonicContact NH2-OD2 3.24Å; D168-G170 PolarHBondContact OD1-N 3.21Å
169F93Very high91.7Very high2 Ų245.1 Ų45.11%0.00925%0.248CC..  trans-104.57.5176.3-63.9-89.6000113.1E70 I73 L74 L77 V83 V138 L145 I166 S171 A172E70-F169 HydrophobicContact CB-CB 4.46Å; E70-F169 HydrophobicContact CG-CB 4Å; E70-F169 HydrophobicContact CG-CD2 4.4Å; E70-F169 PolarHBondContact OE1-N 3.03Å; I73-F169 HydrophobicContact CD1-CB 4.16Å; I73-F169 HydrophobicContact CG2-CB 4.49Å; I73-F169 HydrophobicContact CG2-CD1 3.61Å; I73-F169 HydrophobicContact CG2-CE1 3.98Å; I73-F169 HydrophobicContact CG2-CG 4.07Å; L74-F169 HydrophobicContact CD2-CD2 3.89Å; L74-F169 HydrophobicContact CD2-CE2 3.41Å; L74-F169 VanDerWaalsContact CD2-CE2 3.41Å; L74-F169 HydrophobicContact CD2-CZ 4.2Å; L74-F169 HydrophobicContact CG-CD2 4.03Å; L74-F169 HydrophobicContact CG-CE2 4.06Å; L77-F169 HydrophobicContact CD1-CE1 3.73Å; L77-F169 HydrophobicContact CD1-CZ 3.92Å; V83-F169 HydrophobicContact CB-CZ 4.31Å; V83-F169 HydrophobicContact CG1-CE2 4.4Å; V83-F169 HydrophobicContact CG1-CZ 3.68Å; V138-F169 HydrophobicContact CG2-CE1 3.9Å; L145-F169 HydrophobicContact CD1-CD1 3.71Å; L145-F169 HydrophobicContact CD1-CE1 4.1Å; L145-F169 HydrophobicContact CD1-CG 4.44Å; I166-F169 HydrophobicContact CB-CE1 4.31Å; I166-F169 HydrophobicContact CB-CE2 4.17Å; I166-F169 HydrophobicContact CB-CZ 3.69Å; I166-F169 HydrophobicContact CD1-CE1 4.19Å; I166-F169 HydrophobicContact CD1-CZ 4.22Å; I166-F169 HydrophobicContact CG2-CD1 4.36Å; I166-F169 HydrophobicContact CG2-CD2 4.37Å; I166-F169 HydrophobicContact CG2-CE1 3.8Å; I166-F169 HydrophobicContact CG2-CE2 3.78Å; I166-F169 HydrophobicContact CG2-CZ 3.48Å; I166-F169 VanDerWaalsContact CG2-CZ 3.48Å; F169-S171 PolarHBondContact O-N 2.77Å; F169-S171 VanDerWaalsContact O-N 3.12Å; F169-A172 HydrophobicContact CB-CB 4.41Å; F169-A172 WeakPolarHBondContact O-CB 3.35Å; F169-A172 PolarHBondContact O-N 2.89Å
170G88.7Confident91.8Very high17 Ų1741.4 Ų41.418%0.17523%0.234CC..THydrogen-bonded Turntrans-69.8-14.4-171.500000115R66 D168R66-G170 VanDerWaalsContact CZ-CA 3.48Å; D168-G170 PolarHBondContact OD1-N 3.21Å
171S91Very high91.8Very high18 Ų1841.3 Ų41.313%0.12623%0.234CC..THydrogen-bonded Turntrans-91-11.6170.5-63.40000113.3L145 R146 F169L145-S171 CarbonylContact O-C 3.54Å; R146-S171 VanDerWaalsContact CZ-O 3.26Å; R146-S171 PolarHBondContact NE-O 3.35Å; R146-S171 PolarHBondContact NH2-O 3.19Å; F169-S171 PolarHBondContact O-N 2.77Å; F169-S171 VanDerWaalsContact O-N 3.12Å
172A94.5Very high91.9Very high0 Ų042.8 Ų42.80%024%0.24CC..  trans-58.5156.5-173.200000111.6K69 I73 V144 L145 F169K69-A172 WeakPolarHBondContact CE-O 3.2Å; K69-A172 PolarHBondContact NZ-O 3.11Å; I73-A172 HydrophobicContact CD1-CB 3.69Å; V144-A172 CarbonylContact O-C 3.57Å; V144-A172 WeakPolarHBondContact O-CA 3.38Å; V144-A172 WeakPolarHBondContact O-CB 3.44Å; L145-A172 WeakPolarHBondContact O-CA 3.4Å; L145-A172 PolarHBondContact O-N 3.33Å; F169-A172 HydrophobicContact CB-CB 4.41Å; F169-A172 WeakPolarHBondContact O-CB 3.35Å; F169-A172 PolarHBondContact O-N 2.89Å
173L94Very high92.1Very high32 Ų3243.6 Ų43.617%0.16825%0.247CC..EExtended strand (participates in β ladder)trans-128.4133.2177.517965.3000108.7F143 V144 R146 I175 E208F143-L173 CarbonylContact C-O 3.56Å; F143-L173 WeakPolarHBondContact CA-O 3.5Å; V144-L173 PolarHBondContact N-O 2.98Å; V144-L173 PolarHBondContact O-N 2.83Å; R146-L173 HydrophobicContact CG-CB 4.36Å; L173-I175 HydrophobicContact CD2-CG2 4.12Å; L173-I175 HydrophobicContact CG-CG2 4.18Å; L173-E208 HydrophobicContact CD2-CG 4.05Å; L173-E208 WeakPolarHBondContact CD2-OE1 3.29Å
174Q95.6Very high92.1Very high72 Ų7244.4 Ų44.434%0.33625%0.25SC..EExtended strand (participates in β ladder)trans-75.6126.6168.4-171.3174.21.700107.9F143 Q176 I184F143-Q174 HydrophobicContact CD1-CB 3.86Å; F143-Q174 HydrophobicContact CD1-CG 4.33Å; F143-Q174 HydrophobicContact CE1-CB 3.62Å; F143-Q174 HydrophobicContact CE1-CG 3.91Å; F143-Q174 HydrophobicContact CZ-CB 4.45Å; F143-Q174 HydrophobicContact CZ-CG 4.28Å; Q174-Q176 VanDerWaalsContact CG-O 3.28Å; Q174-Q176 WeakPolarHBondContact CG-O 3.45Å; Q174-Q176 PolarHBondContact NE2-O 2.89Å; Q174-I184 HydrophobicContact CB-CD1 4.35Å; Q174-I184 HydrophobicContact CG-CD1 4.02Å; Q174-I184 WeakPolarHBondContact O-CD1 3.31Å
175I95.7Very high92Very high7 Ų753.7 Ų53.74%0.03629%0.285CS..  trans-115.4-12.6-178.555.6154.7000112.8G142 V144 L173 V183 I184 I211 Y273G142-I175 WeakPolarHBondContact O-CG1 3.41Å; G142-I175 PolarHBondContact O-N 2.59Å; V144-I175 HydrophobicContact CB-CG2 4.32Å; V144-I175 HydrophobicContact CG2-CB 4.38Å; V144-I175 HydrophobicContact CG2-CD1 3.61Å; V144-I175 HydrophobicContact CG2-CG1 3.98Å; V144-I175 HydrophobicContact CG2-CG2 3.59Å; L173-I175 HydrophobicContact CD2-CG2 4.12Å; L173-I175 HydrophobicContact CG-CG2 4.18Å; I175-V183 WeakPolarHBondContact O-CA 3.2Å; I175-I184 PolarHBondContact O-N 2.95Å; I175-I211 HydrophobicContact CD1-CG2 3.53Å; I175-Y273 HydrophobicContact CG2-CE2 3.94Å
176Q94.1Very high91.9Very high19 Ų1956 Ų569%0.08930%0.299CS..EExtended strand (participates in β ladder)trans-129.6149.1179.2-69.3173.4-7.900111.4G142 Q174 N181 F182G142-Q176 PolarHBondContact O-N 2.92Å; Q174-Q176 VanDerWaalsContact CG-O 3.28Å; Q174-Q176 WeakPolarHBondContact CG-O 3.45Å; Q174-Q176 PolarHBondContact NE2-O 2.89Å; Q176-N181 HydrophobicContact CB-CB 4.31Å; Q176-N181 HydrophobicContact CG-CB 4.38Å; Q176-F182 CarbonylContact C-O 3.59Å; Q176-F182 VanDerWaalsContact CA-O 3.25Å; Q176-F182 WeakPolarHBondContact CA-O 3.4Å
177F90.9Very high91.6Very high103 Ų10362 Ų6245%0.45233%0.328SS..EExtended strand (participates in β ladder)trans-143.8157.5177.473.9-77.7000113F182 I184F177-F182 HydrophobicContact CD1-CB 3.95Å; F177-F182 WeakPolarHBondContact CD1-O 3.19Å; F177-F182 HydrophobicContact CE1-CB 3.52Å; F177-F182 HydrophobicContact CE2-CB 4.31Å; F177-F182 HydrophobicContact CE2-CD2 4.48Å; F177-F182 HydrophobicContact CZ-CB 3.72Å; F177-F182 HydrophobicContact CZ-CG 4.42Å; F177-F182 PolarHBondContact N-O 3.38Å; F177-F182 PolarHBondContact O-N 3.36Å; F177-I184 HydrophobicContact CB-CD1 4.46Å; F177-I184 HydrophobicContact CB-CG1 4.42Å; F177-I184 HydrophobicContact CD1-CD1 4.37Å; F177-I184 HydrophobicContact CD1-CG1 3.49Å; F177-I184 VanDerWaalsContact CD1-CG1 3.49Å; F177-I184 HydrophobicContact CE1-CG1 4.18Å; F177-I184 HydrophobicContact CG-CG1 4.34Å
178G87.2Confident91.2Very high53 Ų5368.5 Ų68.555%0.54636%0.359SS..THydrogen-bonded Turntrans74.1175.8178.700000113.6N180 N181G178-N180 PolarHBondContact O-N 3.12Å; G178-N181 PolarHBondContact O-N 2.86Å
179V84.1Confident91.2Very high142 Ų14275 Ų7586%0.86139%0.394SS*.THydrogen-bonded Turntrans-66.5-21.1-178-68.40000114
180N86.3Confident91.1Very high111 Ų11175.3 Ų75.359%0.59440%0.397SS*.THydrogen-bonded Turntrans-99.911.6-178.7-61-26.1000112.8G178 F182G178-N180 PolarHBondContact O-N 3.12Å; N180-F182 VanDerWaalsContact C-N 3.25Å; N180-F182 HydrophobicContact CB-CD2 4.08Å; N180-F182 HydrophobicContact CB-CE1 4.35Å; N180-F182 HydrophobicContact CB-CE2 3.73Å; N180-F182 HydrophobicContact CB-CZ 3.88Å; N180-F182 PolarHBondContact O-N 3.44Å
181N88.5Confident91.1Very high90 Ų9081.9 Ų81.948%0.48142%0.423SS..THydrogen-bonded Turntrans49.943.9-178.4-66.9-13.8000113.3Q176 G178 V183Q176-N181 HydrophobicContact CB-CB 4.31Å; Q176-N181 HydrophobicContact CG-CB 4.38Å; G178-N181 PolarHBondContact O-N 2.86Å; N181-V183 PolarHBondContact O-N 2.98Å
182F91.6Very high91.2Very high112 Ų11283.3 Ų83.349%0.49143%0.427SS..EExtended strand (participates in β ladder)trans-59.2130.1178.3-71-66.8000109.9Q176 F177 N180 I184Q176-F182 CarbonylContact C-O 3.59Å; Q176-F182 VanDerWaalsContact CA-O 3.25Å; Q176-F182 WeakPolarHBondContact CA-O 3.4Å; F177-F182 HydrophobicContact CD1-CB 3.95Å; F177-F182 WeakPolarHBondContact CD1-O 3.19Å; F177-F182 HydrophobicContact CE1-CB 3.52Å; F177-F182 HydrophobicContact CE2-CB 4.31Å; F177-F182 HydrophobicContact CE2-CD2 4.48Å; F177-F182 HydrophobicContact CZ-CB 3.72Å; F177-F182 HydrophobicContact CZ-CG 4.42Å; F177-F182 PolarHBondContact N-O 3.38Å; F177-F182 PolarHBondContact O-N 3.36Å; N180-F182 VanDerWaalsContact C-N 3.25Å; N180-F182 HydrophobicContact CB-CD2 4.08Å; N180-F182 HydrophobicContact CB-CE1 4.35Å; N180-F182 HydrophobicContact CB-CE2 3.73Å; N180-F182 HydrophobicContact CB-CZ 3.88Å; N180-F182 PolarHBondContact O-N 3.44Å; F182-I184 PolarHBondContact O-N 3.28Å
183V93.7Very high90.9Very high69 Ų6984.5 Ų84.542%0.41844%0.435SS..EExtended strand (participates in β ladder)trans-68.9126.1178.5179.60000109.7I175 N181 Y273I175-V183 WeakPolarHBondContact O-CA 3.2Å; N181-V183 PolarHBondContact O-N 2.98Å; V183-Y273 HydrophobicContact CG1-CD1 4.29Å; V183-Y273 HydrophobicContact CG1-CE1 3.55Å
184I95.4Very high90.7Very high56 Ų5684 Ų8429%0.28744%0.437SS..PPolyproline II helixtrans-68.5132.4174.7-64.3174.1000108.3Q174 I175 F177 F182 Y273Q174-I184 HydrophobicContact CB-CD1 4.35Å; Q174-I184 HydrophobicContact CG-CD1 4.02Å; Q174-I184 WeakPolarHBondContact O-CD1 3.31Å; I175-I184 PolarHBondContact O-N 2.95Å; F177-I184 HydrophobicContact CB-CD1 4.46Å; F177-I184 HydrophobicContact CB-CG1 4.42Å; F177-I184 HydrophobicContact CD1-CD1 4.37Å; F177-I184 HydrophobicContact CD1-CG1 3.49Å; F177-I184 VanDerWaalsContact CD1-CG1 3.49Å; F177-I184 HydrophobicContact CE1-CG1 4.18Å; F177-I184 HydrophobicContact CG-CG1 4.34Å; F182-I184 PolarHBondContact O-N 3.28Å; I184-Y273 WeakPolarHBondContact O-CE1 3.17Å; I184-Y273 VanDerWaalsContact O-CZ 3.31Å; I184-Y273 PolarHBondContact O-OH 2.8Å
185R94.3Very high90.5Very high196 Ų19681.4 Ų81.474%0.7443%0.427SS*.PPolyproline II helixtrans-56.6131.7178.6177.7-175.5162.8-168.5-3.7110.7
186P93.2Very high90.5Very high55 Ų5582.6 Ų82.636%0.35743%0.431SS..PPolyproline II helixtrans-69.1146.1-178.728-34.6000112.4E208 Y273P186-E208 HydrophobicContact CB-CB 3.53Å; P186-E208 HydrophobicContact CB-CG 3.97Å; P186-Y273 HydrophobicContact CB-CD1 3.73Å; P186-Y273 HydrophobicContact CB-CD2 4.47Å; P186-Y273 HydrophobicContact CB-CE1 3.87Å; P186-Y273 HydrophobicContact CB-CG 4.05Å; P186-Y273 HydrophobicContact CG-CD1 3.86Å; P186-Y273 HydrophobicContact CG-CE1 4.15Å
187E89.8Confident90.7Very high128 Ų12883.6 Ų83.660%0.59844%0.437SS*.PPolyproline II helixtrans-69.1141.3165.4-66.5-173.6178.900110.8E208E187-E208 WeakPolarHBondContact CB-OE2 3.43Å; E187-E208 WeakPolarHBondContact CG-OE2 3.16Å; E187-E208 PolarHBondContact N-OE2 3.31Å; E187-E208 VanDerWaalsContact N-OE2 3.16Å
188M84Confident91Very high144 Ų14478.8 Ų78.871%0.70942%0.416SS*.SBendtrans-82.6-22.4-177.1-64.4-174.3-59.100113.6
189D89.1Confident91.5Very high149 Ų14976.5 Ų76.580%0.79739%0.391SS*.SBendtrans-13556.8-176.1-70.5-55.1000110.1
190A90.9Very high92.2Very high9 Ų969.8 Ų69.87%0.07435%0.351CS..PPolyproline II helixtrans-63.5138.5-176.500000111.3G206A190-G206 PolarHBondContact N-O 3.02Å; A190-G206 VanDerWaalsContact O-CA 3.27Å; A190-G206 WeakPolarHBondContact O-CA 3.38Å
191E90.4Very high92.7Very high155 Ų15564.7 Ų64.772%0.72432%0.323SS*.PPolyproline II helixtrans-65.3140172.7-69.8-17017100110.5C193E191-C193 PolarHBondContact O-N 2.91Å; E191-C193 VanDerWaalsContact O-N 3.09Å
192F92.8Very high93.1Very high48 Ų4861.4 Ų61.421%0.21131%0.306CS..PPolyproline II helixtrans-55.1120.5173173.4-92.8000110.4G194 A199 A203 H204 I238F192-G194 WeakPolarHBondContact CE1-O 3.48Å; F192-G194 WeakPolarHBondContact CZ-O 3.29Å; F192-A199 HydrophobicContact CE2-CB 4.08Å; F192-A199 HydrophobicContact CZ-CB 4.19Å; F192-A203 HydrophobicContact CD2-CB 4.15Å; F192-A203 WeakPolarHBondContact CD2-O 3.42Å; F192-A203 HydrophobicContact CE2-CB 4.1Å; F192-H204 AromaticContact CE2-CD2 3.84Å; F192-H204 AromaticContact CE2-CE1 3.86Å; F192-H204 AromaticContact CE2-NE2 3.62Å; F192-I238 HydrophobicContact CD1-CD1 3.93Å; F192-I238 HydrophobicContact CD2-CD1 4.32Å; F192-I238 HydrophobicContact CD2-CG2 4.27Å; F192-I238 HydrophobicContact CE1-CD1 4.2Å; F192-I238 HydrophobicContact CG-CD1 4.01Å
193C88.2Confident93.3Very high25 Ų2556.3 Ų56.317%0.16928%0.284CS..  trans-119.1147.7177.2-1610000110.6E191E191-C193 PolarHBondContact O-N 2.91Å; E191-C193 VanDerWaalsContact O-N 3.09Å
194G88.8Confident93.4Very high20 Ų2053.2 Ų53.221%0.20627%0.265CS..SBendtrans92.1-174.4175.400000115.9R146 D147 F192R146-G194 WeakPolarHBondContact O-CA 3.12Å; D147-G194 VanDerWaalsContact OD1-CA 3.22Å; D147-G194 WeakPolarHBondContact OD1-CA 3.15Å; F192-G194 WeakPolarHBondContact CE1-O 3.48Å; F192-G194 WeakPolarHBondContact CZ-O 3.29Å
195S92.7Very high93.4Very high18 Ų1855.5 Ų55.513%0.12627%0.271CS..  trans-72.5131.4178171.90000112.7D147 L197 H198 A199D147-S195 PolarHBondContact OD1-N 3.4Å; S195-L197 PolarHBondContact O-N 3.32Å; S195-L197 VanDerWaalsContact O-N 3.08Å; S195-L197 PolarHBondContact OG-N 3.13Å; S195-H198 PolarHBondContact O-N 3.42Å; S195-A199 WeakPolarHBondContact O-CB 3.42Å; S195-A199 PolarHBondContact O-N 2.92Å
196R95.4Very high93.3Very high32 Ų3247 Ų4712%0.12124%0.244CC..THydrogen-bonded Turntrans-48.3-39.2171.6-176.9-176.667.877.5-6.6112.8H204 A233 E235 I241 K245R196-H204 PolarHBondContact O-CE1 3.15Å; R196-H204 PolarHBondContact O-NE2 2.95Å; R196-A233 PolarHBondContact NH2-O 3.32Å; R196-E235 PolarHBondContact NH1-O 3.28Å; R196-I241 VanDerWaalsContact CD-CD1 3.41Å; R196-I241 HydrophobicContact CG-CD1 3.37Å; R196-K245 PolarHBondContact O-NZ 3.48Å
197L97Very high93.4Very high40 Ų4048.4 Ų48.421%0.20925%0.248CC..THydrogen-bonded Turntrans-74.2-47.6-177.2-65.7-178.7000112S195 L230 W232 A233 K245S195-L197 PolarHBondContact O-N 3.32Å; S195-L197 VanDerWaalsContact O-N 3.08Å; S195-L197 PolarHBondContact OG-N 3.13Å; L197-L230 HydrophobicContact CB-CD1 4.35Å; L197-W232 PolarHBondContact O-NE1 3.13Å; L197-A233 HydrophobicContact CD2-CB 4.27Å; L197-K245 VanDerWaalsContact O-CE 3.27Å; L197-K245 WeakPolarHBondContact O-CE 3.45Å; L197-K245 PolarHBondContact O-NZ 2.69Å
198H98.1Very high93.7Very high3 Ų343.2 Ų43.21%0.01422%0.224CC..THydrogen-bonded Turntrans-100-20.6-168.4-51.4110.4000114.7V148 R149 P150 S195 S217 Y220 D224V148-H198 WeakPolarHBondContact O-CB 3.38Å; R149-H198 HydrophobicContact CB-CB 4.35Å; R149-H198 VanDerWaalsContact CB-ND1 3.32Å; R149-H198 WeakPolarHBondContact CB-ND1 3.23Å; P150-H198 WeakPolarHBondContact CD-CE1 3.38Å; S195-H198 PolarHBondContact O-N 3.42Å; H198-S217 WeakPolarHBondContact O-CA 3.4Å; H198-S217 WeakPolarHBondContact O-CB 3.41Å; H198-S217 PolarHBondContact O-OG 3.45Å; H198-S217 VanDerWaalsContact O-OG 3.1Å; H198-Y220 WeakPolarHBondContact O-CD2 3.43Å; H198-D224 IonicContact CE1-OD2 3.86Å; H198-D224 IonicContact NE2-OD2 2.79Å; H198-D224 PolarHBondContact NE2-OD2 3.49Å
199A97.7Very high94.2Very high4 Ų436.8 Ų36.83%0.03319%0.193CC..SBendtrans-58.6145.5-17900000112F192 S195 A203 K245F192-A199 HydrophobicContact CE2-CB 4.08Å; F192-A199 HydrophobicContact CZ-CB 4.19Å; S195-A199 WeakPolarHBondContact O-CB 3.42Å; S195-A199 PolarHBondContact O-N 2.92Å; A199-A203 HydrophobicContact CB-CB 3.88Å; A199-K245 WeakPolarHBondContact O-CE 3.41Å; A199-K245 PolarHBondContact O-NZ 2.89Å
200S97.6Very high94.6Very high1 Ų129.8 Ų29.81%0.00716%0.155CC..  trans-57.7162.2176.683.40000112N202 A203 H204 D213 S217S200-N202 PolarHBondContact O-N 3.32Å; S200-N202 PolarHBondContact OG-N 3.46Å; S200-A203 WeakPolarHBondContact O-CB 3.47Å; S200-A203 PolarHBondContact O-N 3.42Å; S200-A203 PolarHBondContact OG-N 3.49Å; S200-H204 PolarHBondContact O-CD2 2.95Å; S200-D213 WeakPolarHBondContact CB-OD1 3.12Å; S200-D213 PolarHBondContact OG-OD1 2.94Å; S200-S217 PolarHBondContact N-OG 3.07Å
201F96.9Very high94.9Very high4 Ų429.5 Ų29.52%0.01815%0.152CC..Hα-helixtrans-62.7-27.4175.551-94.8000112.6A203 H204 Y205 I216 K245 R246 K269F201-A203 VanDerWaalsContact C-N 3.33Å; F201-A203 PolarHBondContact O-N 3.5Å; F201-H204 PolarHBondContact O-N 2.97Å; F201-Y205 HydrophobicContact CB-CE2 4.18Å; F201-Y205 HydrophobicContact CD2-CD2 4.49Å; F201-Y205 HydrophobicContact CD2-CE2 4.31Å; F201-Y205 WeakPolarHBondContact O-CD2 3.29Å; F201-Y205 PolarHBondContact O-N 2.93Å; F201-I216 HydrophobicContact CE1-CD1 3.8Å; F201-I216 HydrophobicContact CZ-CD1 4.01Å; F201-K245 HydrophobicContact CB-CB 3.89Å; F201-R246 HydrophobicContact CB-CB 4.18Å; F201-R246 HydrophobicContact CG-CB 4.21Å; F201-K269 HydrophobicContact CE1-CG 3.9Å; F201-K269 HydrophobicContact CZ-CG 4.23Å
202N96.5Very high95.3Very high22 Ų2222.2 Ų22.212%0.11812%0.118CC..Hα-helixtrans-63.1-39.2178.2-67.7-30.5000111.7S200 H204 Y205 G206 L207 L209 H212 D213S200-N202 PolarHBondContact O-N 3.32Å; S200-N202 PolarHBondContact OG-N 3.46Å; N202-H204 VanDerWaalsContact C-N 3.27Å; N202-H204 PolarHBondContact O-N 2.94Å; N202-Y205 CarbonylContact O-C 3.55Å; N202-Y205 PolarHBondContact O-N 3.08Å; N202-G206 PolarHBondContact O-N 3.41Å; N202-L207 HydrophobicContact CB-CB 4.15Å; N202-L207 HydrophobicContact CB-CD1 4.14Å; N202-L207 PolarHBondContact O-N 3.16Å; N202-L209 HydrophobicContact CB-CD2 4.06Å; N202-H212 PolarHBondContact ND2-NE2 3.41Å; N202-D213 WeakPolarHBondContact CB-OD1 3.3Å; N202-D213 PolarHBondContact ND2-OD1 3.33Å
203A96.4Very high95.6Very high4 Ų420 Ų203%0.03311%0.109CC..Hα-helixtrans-58-41.2174.700000111.9F192 A199 S200 F201 Y205 G206 L209F192-A203 HydrophobicContact CD2-CB 4.15Å; F192-A203 WeakPolarHBondContact CD2-O 3.42Å; F192-A203 HydrophobicContact CE2-CB 4.1Å; A199-A203 HydrophobicContact CB-CB 3.88Å; S200-A203 WeakPolarHBondContact O-CB 3.47Å; S200-A203 PolarHBondContact O-N 3.42Å; S200-A203 PolarHBondContact OG-N 3.49Å; F201-A203 VanDerWaalsContact C-N 3.33Å; F201-A203 PolarHBondContact O-N 3.5Å; A203-Y205 PolarHBondContact O-N 3.26Å; A203-G206 PolarHBondContact O-N 3.28Å; A203-L209 HydrophobicContact CB-CD1 4.06Å; A203-L209 HydrophobicContact CB-CD2 3.88Å
204H96.3Very high96.1Very high4 Ų418.8 Ų18.82%0.01910%0.101CC..Hα-helixtrans-69.1-21.5179.3-68.5-103.9000112.6F192 R196 S200 F201 N202 I238 I241 G242 K245F192-H204 AromaticContact CE2-CD2 3.84Å; F192-H204 AromaticContact CE2-CE1 3.86Å; F192-H204 AromaticContact CE2-NE2 3.62Å; R196-H204 PolarHBondContact O-CE1 3.15Å; R196-H204 PolarHBondContact O-NE2 2.95Å; S200-H204 PolarHBondContact O-CD2 2.95Å; F201-H204 PolarHBondContact O-N 2.97Å; N202-H204 VanDerWaalsContact C-N 3.27Å; N202-H204 PolarHBondContact O-N 2.94Å; H204-I238 HydrophobicContact CB-CG2 4.05Å; H204-I238 WeakPolarHBondContact ND1-CG2 3.32Å; H204-I238 PolarHBondContact ND1-O 3.49Å; H204-I241 WeakPolarHBondContact CE1-CG2 3.28Å; H204-G242 VanDerWaalsContact CB-CA 3.42Å; H204-K245 PolarHBondContact NE2-NZ 2.99Å; H204-K245 VanDerWaalsContact NE2-NZ 3.15Å
205Y94.3Very high96.5Very high105 Ų10517.9 Ų17.941%0.4129%0.091SC..THydrogen-bonded Turntrans-93.50.6175.9-62.2-47.4000114.1F201 N202 A203 L207 G242 Q243 R246F201-Y205 HydrophobicContact CB-CE2 4.18Å; F201-Y205 HydrophobicContact CD2-CD2 4.49Å; F201-Y205 HydrophobicContact CD2-CE2 4.31Å; F201-Y205 WeakPolarHBondContact O-CD2 3.29Å; F201-Y205 PolarHBondContact O-N 2.93Å; N202-Y205 CarbonylContact O-C 3.55Å; N202-Y205 PolarHBondContact O-N 3.08Å; A203-Y205 PolarHBondContact O-N 3.26Å; Y205-L207 VanDerWaalsContact C-N 3.33Å; Y205-G242 PolarHBondContact OH-O 3.31Å; Y205-Q243 VanDerWaalsContact OH-CA 3.32Å; Y205-Q243 WeakPolarHBondContact OH-CA 3.27Å; Y205-Q243 PolarHBondContact OH-N 2.79Å; Y205-R246 HydrophobicContact CE2-CB 4.38Å
206G93.4Very high96.8Very high17 Ų1717 Ų1718%0.1759%0.085CC..THydrogen-bonded Turntrans71.627.1179.600000113.7A190 N202 A203A190-G206 PolarHBondContact N-O 3.02Å; A190-G206 VanDerWaalsContact O-CA 3.27Å; A190-G206 WeakPolarHBondContact O-CA 3.38Å; N202-G206 PolarHBondContact O-N 3.41Å; A203-G206 PolarHBondContact O-N 3.28Å
207L94.7Very high97Very high85 Ų8515.7 Ų15.745%0.4458%0.081SC..PPolyproline II helixtrans-86.5149.2173.3-56.9179.7000110.2N202 Y205N202-L207 HydrophobicContact CB-CB 4.15Å; N202-L207 HydrophobicContact CB-CD1 4.14Å; N202-L207 PolarHBondContact O-N 3.16Å; Y205-L207 VanDerWaalsContact C-N 3.33Å
208E95.4Very high97.1Very high19 Ų1913.8 Ų13.89%0.0897%0.071CC..PPolyproline II helixtrans-62.6136.2169.3-164.872-8800110.7R146 L173 P186 E187 Y273R146-E208 IonicContact NH1-OE1 3.05Å; L173-E208 HydrophobicContact CD2-CG 4.05Å; L173-E208 WeakPolarHBondContact CD2-OE1 3.29Å; P186-E208 HydrophobicContact CB-CB 3.53Å; P186-E208 HydrophobicContact CB-CG 3.97Å; E187-E208 WeakPolarHBondContact CB-OE2 3.43Å; E187-E208 WeakPolarHBondContact CG-OE2 3.16Å; E187-E208 PolarHBondContact N-OE2 3.31Å; E187-E208 VanDerWaalsContact N-OE2 3.16Å; E208-Y273 HydrophobicContact CB-CD2 4.15Å; E208-Y273 HydrophobicContact CB-CE2 4.33Å; E208-Y273 HydrophobicContact CG-CD2 3.9Å; E208-Y273 HydrophobicContact CG-CE2 3.6Å
209L96.5Very high97.1Very high9 Ų913.7 Ų13.75%0.0477%0.07CC..PPolyproline II helixtrans-90.3133.1-172.2-56.4-173.5000112V144 R146 N202 A203 D213 Y273V144-L209 HydrophobicContact CG1-CB 4.49Å; R146-L209 HydrophobicContact CB-CD1 4.02Å; R146-L209 HydrophobicContact CG-CB 4.17Å; R146-L209 HydrophobicContact CG-CD1 3.94Å; N202-L209 HydrophobicContact CB-CD2 4.06Å; A203-L209 HydrophobicContact CB-CD1 4.06Å; A203-L209 HydrophobicContact CB-CD2 3.88Å; L209-D213 WeakPolarHBondContact CA-OD2 3.32Å; L209-D213 HydrophobicContact CB-CB 4.1Å; L209-D213 HydrophobicContact CD2-CB 4.16Å; L209-Y273 WeakPolarHBondContact O-CD2 3.35Å; L209-Y273 WeakPolarHBondContact O-CE2 3.4Å
210G96.9Very high97.1Very high1 Ų113.5 Ų13.51%0.017%0.069CC..  trans-103.2-179.3173.400000112.8H212 D213G210-H212 PolarHBondContact O-N 3.29Å; G210-D213 PolarHBondContact N-OD2 3.36Å; G210-D213 WeakPolarHBondContact O-CB 3.19Å; G210-D213 PolarHBondContact O-N 2.79Å
211I97.8Very high97.2Very high3 Ų313.5 Ų13.52%0.0157%0.069CC..Hα-helixtrans-62.9-26-178.960.6165.7000113H139 V144 I175 D213 M215 F277H139-I211 HydrophobicContact CB-CB 4.39Å; H139-I211 HydrophobicContact CB-CG2 3.85Å; H139-I211 VanDerWaalsContact CD2-CG2 3.42Å; H139-I211 WeakPolarHBondContact CD2-CG2 3.29Å; H139-I211 PolarHBondContact CE1-O 2.95Å; V144-I211 HydrophobicContact CG2-CG2 3.97Å; I175-I211 HydrophobicContact CD1-CG2 3.53Å; I211-D213 VanDerWaalsContact C-N 3.31Å; I211-M215 PolarHBondContact O-N 2.77Å; I211-F277 HydrophobicContact CB-CE1 4.47Å; I211-F277 HydrophobicContact CD1-CD1 4.16Å; I211-F277 HydrophobicContact CD1-CE1 3.83Å; I211-F277 HydrophobicContact CD1-CZ 4.24Å; I211-F277 HydrophobicContact CG1-CD1 4.37Å; I211-F277 HydrophobicContact CG1-CE1 3.7Å; I211-F277 HydrophobicContact CG1-CZ 4.23Å
212H98.2Very high97.3Very high2 Ų213.3 Ų13.31%0.0097%0.068CC..Hα-helixtrans-71.6-27175.662.2-61.6000112.3N202 G210 M215 I216 L268 F271 F277N202-H212 PolarHBondContact ND2-NE2 3.41Å; G210-H212 PolarHBondContact O-N 3.29Å; H212-M215 PolarHBondContact O-N 2.89Å; H212-I216 VanDerWaalsContact O-CG1 3.32Å; H212-I216 WeakPolarHBondContact O-CG1 3.49Å; H212-I216 PolarHBondContact O-N 3.04Å; H212-L268 HydrophobicContact CB-CD2 4.15Å; H212-F271 HydrophobicContact CB-CB 3.71Å; H212-F271 HydrophobicContact CB-CG 4.34Å; H212-F271 PolarHBondContact CD2-O 3.05Å; H212-F271 PolarHBondContact NE2-O 3.29Å; H212-F271 VanDerWaalsContact NE2-O 3.16Å; H212-F277 HydrophobicContact CB-CD1 4.44Å; H212-F277 HydrophobicContact CB-CE1 3.73Å
213D98.4Very high97.4Very high1 Ų112.2 Ų12.21%0.0056%0.062CC..Hα-helixtrans-69.9-35.8179-68.9-64.8000111.9S200 N202 L209 G210 I211 S217S200-D213 WeakPolarHBondContact CB-OD1 3.12Å; S200-D213 PolarHBondContact OG-OD1 2.94Å; N202-D213 WeakPolarHBondContact CB-OD1 3.3Å; N202-D213 PolarHBondContact ND2-OD1 3.33Å; L209-D213 WeakPolarHBondContact CA-OD2 3.32Å; L209-D213 HydrophobicContact CB-CB 4.1Å; L209-D213 HydrophobicContact CD2-CB 4.16Å; G210-D213 PolarHBondContact N-OD2 3.36Å; G210-D213 WeakPolarHBondContact O-CB 3.19Å; G210-D213 PolarHBondContact O-N 2.79Å; I211-D213 VanDerWaalsContact C-N 3.31Å; D213-S217 WeakPolarHBondContact O-CB 3.34Å; D213-S217 PolarHBondContact O-N 2.86Å; D213-S217 PolarHBondContact O-OG 3.04Å
214D98.7Very high97.4Very high1 Ų112.3 Ų12.31%0.0056%0.062CC..Hα-helixtrans-65.2-41.9172.1-83.6-7.1000111.1L135 H139 V144 L145 R146 V148 S217 L218L135-D214 HydrophobicContact CD1-CB 4.28Å; L135-D214 HydrophobicContact CD2-CB 4.12Å; H139-D214 IonicContact NE2-OD2 3.1Å; H139-D214 PolarHBondContact NE2-OD2 3.3Å; V144-D214 VanDerWaalsContact CG1-OD2 3.28Å; V144-D214 WeakPolarHBondContact CG1-OD2 3.42Å; L145-D214 WeakPolarHBondContact CA-OD2 3.33Å; L145-D214 WeakPolarHBondContact CB-OD2 3.2Å; L145-D214 PolarHBondContact N-OD2 2.75Å; R146-D214 WeakPolarHBondContact CA-OD1 3.48Å; R146-D214 PolarHBondContact N-OD1 3.34Å; V148-D214 HydrophobicContact CG2-CB 3.9Å; D214-S217 CarbonylContact O-C 3.59Å; D214-S217 WeakPolarHBondContact O-CB 3.18Å; D214-S217 PolarHBondContact O-N 3.1Å; D214-S217 VanDerWaalsContact O-N 3.15Å; D214-L218 PolarHBondContact O-N 3.32Å
215M98.6Very high97.5Very high0 Ų012.1 Ų12.10%06%0.061CC..Hα-helixtrans-67.9-38177.1-63.3-52.3-70.900113.1A132 L135 I211 H212 S217 L218 F219 L268 F277 I282A132-M215 HydrophobicContact CB-CE 4.07Å; L135-M215 HydrophobicContact CB-SD 4.27Å; L135-M215 HydrophobicContact CD1-SD 3.93Å; I211-M215 PolarHBondContact O-N 2.77Å; H212-M215 PolarHBondContact O-N 2.89Å; M215-S217 VanDerWaalsContact C-N 3.25Å; M215-S217 PolarHBondContact O-N 2.96Å; M215-L218 HydrophobicContact CE-CD2 3.88Å; M215-L218 WeakPolarHBondContact O-CB 3.29Å; M215-L218 PolarHBondContact O-N 3.05Å; M215-L218 HydrophobicContact SD-CD2 4.29Å; M215-F219 PolarHBondContact O-N 3.26Å; M215-L268 HydrophobicContact CB-CD1 3.6Å; M215-L268 HydrophobicContact CB-CD2 4.15Å; M215-F277 HydrophobicContact CB-CZ 4.26Å; M215-F277 HydrophobicContact CG-CE2 3.82Å; M215-F277 HydrophobicContact CG-CZ 3.45Å; M215-F277 VanDerWaalsContact CG-CZ 3.45Å; M215-I282 HydrophobicContact CE-CB 4.3Å; M215-I282 HydrophobicContact CE-CD1 3.77Å; M215-I282 HydrophobicContact CE-CG2 3.64Å; M215-I282 HydrophobicContact CG-CD1 4.47Å
216I98.5Very high97.6Very high0 Ų09.3 Ų9.30%05%0.05CC..Hα-helixtrans-59.8-42.6170.6-72.9163.9000110.1F201 H212 L218 F219 Y220 Y265 L268F201-I216 HydrophobicContact CE1-CD1 3.8Å; F201-I216 HydrophobicContact CZ-CD1 4.01Å; H212-I216 VanDerWaalsContact O-CG1 3.32Å; H212-I216 WeakPolarHBondContact O-CG1 3.49Å; H212-I216 PolarHBondContact O-N 3.04Å; I216-L218 VanDerWaalsContact C-N 3.35Å; I216-F219 PolarHBondContact O-N 3.27Å; I216-Y220 HydrophobicContact CG2-CD2 4.01Å; I216-Y220 HydrophobicContact CG2-CE1 4.41Å; I216-Y220 HydrophobicContact CG2-CE2 3.38Å; I216-Y220 PolarHBondContact O-N 3.07Å; I216-Y220 VanDerWaalsContact O-N 3.07Å; I216-Y265 HydrophobicContact CG2-CE2 4.26Å; I216-L268 HydrophobicContact CD1-CB 4.27Å; I216-L268 HydrophobicContact CG1-CB 3.86Å; I216-L268 HydrophobicContact CG1-CD1 4.25Å
217S98.7Very high97.8Very high5 Ų511.7 Ų11.74%0.0356%0.058CC..Hα-helixtrans-67.3-36.4-179.9-55.60000112H198 S200 D213 D214 M215 Y220 M221H198-S217 WeakPolarHBondContact O-CA 3.4Å; H198-S217 WeakPolarHBondContact O-CB 3.41Å; H198-S217 PolarHBondContact O-OG 3.45Å; H198-S217 VanDerWaalsContact O-OG 3.1Å; S200-S217 PolarHBondContact N-OG 3.07Å; D213-S217 WeakPolarHBondContact O-CB 3.34Å; D213-S217 PolarHBondContact O-N 2.86Å; D213-S217 PolarHBondContact O-OG 3.04Å; D214-S217 CarbonylContact O-C 3.59Å; D214-S217 WeakPolarHBondContact O-CB 3.18Å; D214-S217 PolarHBondContact O-N 3.1Å; D214-S217 VanDerWaalsContact O-N 3.15Å; M215-S217 VanDerWaalsContact C-N 3.25Å; M215-S217 PolarHBondContact O-N 2.96Å; S217-Y220 PolarHBondContact O-N 3.24Å; S217-M221 WeakPolarHBondContact O-CB 3.31Å; S217-M221 PolarHBondContact O-N 3.28Å
218L98.8Very high97.8Very high0 Ų09.1 Ų9.10%05%0.052CC..Hα-helixtrans-58.8-47.5170.9172.458.6000111.2C131 A132 L135 V148 D214 M215 I216 Y220 M221 M222C131-L218 HydrophobicContact CB-CD1 3.53Å; C131-L218 HydrophobicContact CB-CD2 4.41Å; A132-L218 HydrophobicContact CB-CD2 3.87Å; L135-L218 HydrophobicContact CD1-CB 4.13Å; L135-L218 HydrophobicContact CD1-CD2 4.2Å; V148-L218 HydrophobicContact CG1-CB 4.14Å; D214-L218 PolarHBondContact O-N 3.32Å; M215-L218 HydrophobicContact CE-CD2 3.88Å; M215-L218 WeakPolarHBondContact O-CB 3.29Å; M215-L218 PolarHBondContact O-N 3.05Å; M215-L218 HydrophobicContact SD-CD2 4.29Å; I216-L218 VanDerWaalsContact C-N 3.35Å; L218-Y220 PolarHBondContact O-N 3.17Å; L218-M221 HydrophobicContact CD1-CE 3.67Å; L218-M221 WeakPolarHBondContact O-CA 3.38Å; L218-M221 WeakPolarHBondContact O-CB 3.34Å; L218-M221 PolarHBondContact O-N 3.24Å; L218-M221 VanDerWaalsContact O-N 3.12Å; L218-M222 HydrophobicContact CD1-CG 4.12Å; L218-M222 HydrophobicContact CD1-SD 4.29Å; L218-M222 HydrophobicContact CG-SD 4.21Å; L218-M222 WeakPolarHBondContact O-CG 3.35Å; L218-M222 PolarHBondContact O-N 2.89Å
219F98.7Very high97.8Very high1 Ų113.3 Ų13.30%0.0047%0.07CC..Hα-helixtrans-64.6-38.6178.4-67.1-25.7000112.6M215 I216 M221 M222 A223 F254 I261 M264 Y265 L268 I282M215-F219 PolarHBondContact O-N 3.26Å; I216-F219 PolarHBondContact O-N 3.27Å; F219-M221 VanDerWaalsContact C-N 3.32Å; F219-M222 HydrophobicContact CD1-SD 3.95Å; F219-M222 HydrophobicContact CE1-SD 4.45Å; F219-M222 PolarHBondContact O-N 3.49Å; F219-A223 WeakPolarHBondContact O-CB 3.32Å; F219-A223 PolarHBondContact O-N 2.89Å; F219-F254 HydrophobicContact CB-CE1 3.77Å; F219-F254 HydrophobicContact CB-CZ 3.95Å; F219-F254 WeakPolarHBondContact O-CE1 3.42Å; F219-I261 HydrophobicContact CD1-CG2 4.34Å; F219-I261 HydrophobicContact CG-CG2 4.44Å; F219-M264 HydrophobicContact CE1-CE 4.27Å; F219-M264 HydrophobicContact CE2-CB 3.72Å; F219-M264 HydrophobicContact CZ-CB 3.74Å; F219-M264 HydrophobicContact CZ-CE 3.9Å; F219-M264 HydrophobicContact CZ-SD 4.23Å; F219-Y265 HydrophobicContact CD2-CD2 4.47Å; F219-L268 HydrophobicContact CD2-CD1 3.81Å; F219-L268 HydrophobicContact CE2-CD1 3.37Å; F219-L268 HydrophobicContact CZ-CD1 4.27Å; F219-I282 HydrophobicContact CE1-CG2 4.41Å; F219-I282 HydrophobicContact CZ-CG2 4.09Å
220Y98.7Very high97.8Very high0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-63.9-38.6171.8-63.7-27.2000112.2H198 I216 S217 L218 A223 D224 W232 K245 I253 F254 Y265H198-Y220 WeakPolarHBondContact O-CD2 3.43Å; I216-Y220 HydrophobicContact CG2-CD2 4.01Å; I216-Y220 HydrophobicContact CG2-CE1 4.41Å; I216-Y220 HydrophobicContact CG2-CE2 3.38Å; I216-Y220 PolarHBondContact O-N 3.07Å; I216-Y220 VanDerWaalsContact O-N 3.07Å; S217-Y220 PolarHBondContact O-N 3.24Å; L218-Y220 PolarHBondContact O-N 3.17Å; Y220-A223 PolarHBondContact O-N 3.3Å; Y220-D224 WeakPolarHBondContact O-CB 3.34Å; Y220-D224 PolarHBondContact O-N 3.06Å; Y220-W232 AromaticContact CD1-CH2 3.77Å; Y220-W232 HydrophobicContact CD1-CH2 3.77Å; Y220-W232 AromaticContact CD1-CZ2 3.87Å; Y220-W232 HydrophobicContact CD1-CZ2 3.87Å; Y220-W232 HydrophobicContact CD2-CZ2 4.14Å; Y220-W232 AromaticContact CE1-CH2 3.59Å; Y220-W232 HydrophobicContact CE1-CH2 3.59Å; Y220-W232 HydrophobicContact CE1-CZ2 4.05Å; Y220-W232 HydrophobicContact CE2-CH2 4.46Å; Y220-W232 HydrophobicContact CE2-CZ2 4.3Å; Y220-W232 HydrophobicContact CG-CH2 4.31Å; Y220-W232 AromaticContact CG-CZ2 3.94Å; Y220-W232 HydrophobicContact CG-CZ2 3.94Å; Y220-W232 AromaticContact CZ-CH2 3.97Å; Y220-K245 HydrophobicContact CE2-CD 3.94Å; Y220-K245 HydrophobicContact CE2-CG 4.14Å; Y220-I253 HydrophobicContact CD1-CG2 3.93Å; Y220-I253 HydrophobicContact CE1-CD1 4.16Å; Y220-I253 HydrophobicContact CE1-CG2 4.03Å; Y220-F254 HydrophobicContact CD1-CZ 4.48Å; Y220-Y265 HydrophobicContact CE1-CD2 4.43Å; Y220-Y265 AromaticContact CE1-CE2 3.58Å; Y220-Y265 HydrophobicContact CE1-CE2 3.58Å; Y220-Y265 AromaticContact CZ-CE2 3.78Å; Y220-Y265 WeakPolarHBondContact OH-CE2 3.34Å; Y220-Y265 PolarHBondContact OH-OH 2.82Å
221M98.6Very high97.8Very high0 Ų016.1 Ų16.10%09%0.089CC..Hα-helixtrans-61.7-47.3174.3-179.4175.383.300111.5C131 V148 P150 F153 S217 L218 F219 A223 D224 L225C131-M221 HydrophobicContact CB-CE 4.27Å; V148-M221 HydrophobicContact CG1-SD 4.44Å; P150-M221 HydrophobicContact CG-CG 3.7Å; P150-M221 HydrophobicContact CG-SD 4.11Å; P150-M221 VanDerWaalsContact N-SD 3.39Å; F153-M221 HydrophobicContact CD2-CE 3.91Å; F153-M221 HydrophobicContact CD2-SD 3.81Å; F153-M221 HydrophobicContact CE2-CE 4.04Å; F153-M221 HydrophobicContact CE2-SD 4.07Å; S217-M221 WeakPolarHBondContact O-CB 3.31Å; S217-M221 PolarHBondContact O-N 3.28Å; L218-M221 HydrophobicContact CD1-CE 3.67Å; L218-M221 WeakPolarHBondContact O-CA 3.38Å; L218-M221 WeakPolarHBondContact O-CB 3.34Å; L218-M221 PolarHBondContact O-N 3.24Å; L218-M221 VanDerWaalsContact O-N 3.12Å; F219-M221 VanDerWaalsContact C-N 3.32Å; M221-A223 VanDerWaalsContact C-N 3.34Å; M221-A223 PolarHBondContact O-N 3.22Å; M221-D224 PolarHBondContact O-N 3.02Å; M221-L225 HydrophobicContact CG-CD1 4.13Å; M221-L225 HydrophobicContact CG-CG 4.37Å; M221-L225 VanDerWaalsContact O-CG 3.31Å; M221-L225 WeakPolarHBondContact O-CG 3.4Å; M221-L225 PolarHBondContact O-N 3.41Å
222M98.6Very high97.8Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-59-45.3177.1-68.517470.700111.6V124 L125 L218 F219 D224 L225 Y226 M257 I261 L286V124-M222 HydrophobicContact CG1-CB 3.72Å; V124-M222 HydrophobicContact CG1-CE 4.19Å; V124-M222 HydrophobicContact CG1-CG 4.13Å; V124-M222 WeakPolarHBondContact CG1-O 3.45Å; L125-M222 HydrophobicContact CD2-CE 4.12Å; L218-M222 HydrophobicContact CD1-CG 4.12Å; L218-M222 HydrophobicContact CD1-SD 4.29Å; L218-M222 HydrophobicContact CG-SD 4.21Å; L218-M222 WeakPolarHBondContact O-CG 3.35Å; L218-M222 PolarHBondContact O-N 2.89Å; F219-M222 HydrophobicContact CD1-SD 3.95Å; F219-M222 HydrophobicContact CE1-SD 4.45Å; F219-M222 PolarHBondContact O-N 3.49Å; M222-D224 VanDerWaalsContact C-N 3.35Å; M222-D224 PolarHBondContact O-N 2.6Å; M222-L225 PolarHBondContact O-N 3.43Å; M222-Y226 WeakPolarHBondContact O-CB 3.25Å; M222-Y226 PolarHBondContact O-N 3.01Å; M222-M257 HydrophobicContact CB-CE 4.02Å; M222-M257 HydrophobicContact CE-CE 4.33Å; M222-I261 HydrophobicContact CE-CD1 3.93Å; M222-L286 HydrophobicContact CE-CD2 3.91Å
223A98.5Very high97.7Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-61.9-40.8175.500000112.3F219 Y220 M221 Y226 L227 L230 F254 M257F219-A223 WeakPolarHBondContact O-CB 3.32Å; F219-A223 PolarHBondContact O-N 2.89Å; Y220-A223 PolarHBondContact O-N 3.3Å; M221-A223 VanDerWaalsContact C-N 3.34Å; M221-A223 PolarHBondContact O-N 3.22Å; A223-Y226 PolarHBondContact O-N 3.47Å; A223-L227 HydrophobicContact CB-CD1 4.46Å; A223-L227 VanDerWaalsContact O-CB 3.28Å; A223-L227 WeakPolarHBondContact O-CB 3.32Å; A223-L227 PolarHBondContact O-N 3.44Å; A223-L230 HydrophobicContact CB-CD2 3.91Å; A223-F254 HydrophobicContact CB-CD1 3.88Å; A223-F254 HydrophobicContact CB-CE1 4.21Å; A223-M257 HydrophobicContact CB-SD 4.26Å
224D97.9Very high97.6Very high6 Ų623.2 Ų23.23%0.03213%0.13CC..Hα-helixtrans-65.5-40.1176.8-167.345.8000112.2R111 H198 Y220 M221 M222 G228 L230R111-D224 IonicContact CZ-OD2 3.88Å; R111-D224 VanDerWaalsContact CZ-OD2 3.23Å; R111-D224 PolarHBondContact NH1-O 2.92Å; R111-D224 IonicContact NH1-OD1 2.8Å; R111-D224 PolarHBondContact NH1-OD1 3.28Å; R111-D224 IonicContact NH1-OD2 3.82Å; R111-D224 PolarHBondContact NH1-OD2 3.23Å; R111-D224 IonicContact NH2-OD2 3.7Å; R111-D224 PolarHBondContact NH2-OD2 2.93Å; H198-D224 IonicContact CE1-OD2 3.86Å; H198-D224 IonicContact NE2-OD2 2.79Å; H198-D224 PolarHBondContact NE2-OD2 3.49Å; Y220-D224 WeakPolarHBondContact O-CB 3.34Å; Y220-D224 PolarHBondContact O-N 3.06Å; M221-D224 PolarHBondContact O-N 3.02Å; M222-D224 VanDerWaalsContact C-N 3.35Å; M222-D224 PolarHBondContact O-N 2.6Å; D224-G228 CarbonylContact O-C 3.36Å; D224-G228 VanDerWaalsContact O-CA 3.25Å; D224-G228 WeakPolarHBondContact O-CA 3.42Å; D224-G228 PolarHBondContact O-N 2.98Å; D224-G228 VanDerWaalsContact O-N 3.12Å; D224-L230 HydrophobicContact CB-CD1 4.08Å; D224-L230 HydrophobicContact CB-CG 3.96Å
225L97.3Very high97.5Very high0 Ų025.2 Ų25.20%014%0.139CC..Hα-helixtrans-67.6-36.5177.2-69.6177.5000112.2L107 R111 S118 F119 V124 I127 P150 M221 M222L107-L225 HydrophobicContact CD1-CD1 4.28Å; R111-L225 HydrophobicContact CB-CD2 4.38Å; S118-L225 CarbonylContact C-O 3.55Å; S118-L225 WeakPolarHBondContact CA-O 3.45Å; S118-L225 WeakPolarHBondContact CB-O 3.18Å; F119-L225 HydrophobicContact CD2-CB 4.21Å; F119-L225 HydrophobicContact CD2-CD2 4.22Å; F119-L225 HydrophobicContact CE2-CD2 3.95Å; F119-L225 PolarHBondContact N-O 2.94Å; V124-L225 HydrophobicContact CG2-CB 3.95Å; I127-L225 HydrophobicContact CD1-CD1 4.22Å; I127-L225 HydrophobicContact CG2-CD1 4Å; P150-L225 HydrophobicContact CB-CD2 4.03Å; P150-L225 HydrophobicContact CG-CD2 3.81Å; P150-L225 HydrophobicContact CG-CG 4.23Å; M221-L225 HydrophobicContact CG-CD1 4.13Å; M221-L225 HydrophobicContact CG-CG 4.37Å; M221-L225 VanDerWaalsContact O-CG 3.31Å; M221-L225 WeakPolarHBondContact O-CG 3.4Å; M221-L225 PolarHBondContact O-N 3.41Å; M222-L225 PolarHBondContact O-N 3.43Å
226Y97Very high97.2Very high45 Ų4527.9 Ų27.918%0.17617%0.167CC..Hα-helixtrans-84.9-52.5-177.5176.2-128.8000113.2S118 F119 L121 M222 A223 G228 D256 M257S118-Y226 VanDerWaalsContact CB-O 3.24Å; S118-Y226 WeakPolarHBondContact CB-O 3.4Å; F119-Y226 WeakPolarHBondContact O-CD2 3.49Å; L121-Y226 HydrophobicContact CB-CD2 4.11Å; L121-Y226 HydrophobicContact CB-CE2 3.67Å; L121-Y226 HydrophobicContact CD1-CD1 4.21Å; L121-Y226 HydrophobicContact CD1-CD2 4.37Å; L121-Y226 HydrophobicContact CD1-CE1 4.14Å; L121-Y226 HydrophobicContact CD1-CE2 4.37Å; L121-Y226 HydrophobicContact CD1-CG 4.31Å; M222-Y226 WeakPolarHBondContact O-CB 3.25Å; M222-Y226 PolarHBondContact O-N 3.01Å; A223-Y226 PolarHBondContact O-N 3.47Å; Y226-G228 VanDerWaalsContact C-N 3.29Å; Y226-G228 PolarHBondContact O-N 3.48Å; Y226-D256 VanDerWaalsContact CE1-OD1 3.25Å; Y226-D256 WeakPolarHBondContact CE1-OD1 3.23Å; Y226-D256 PolarHBondContact OH-OD1 3.04Å; Y226-D256 PolarHBondContact OH-OD2 2.83Å; Y226-M257 HydrophobicContact CD1-CG 3.41Å; Y226-M257 VanDerWaalsContact CD1-CG 3.41Å; Y226-M257 HydrophobicContact CD1-SD 4.06Å; Y226-M257 HydrophobicContact CE1-CG 3.68Å; Y226-M257 HydrophobicContact CG-CG 4.48Å
227L96.5Very high97Very high67 Ų6731.9 Ų31.935%0.35119%0.188SC..Hα-helixtrans-83.6-8.5-175.2-56.3174.4000112.4A223 K229 I253A223-L227 HydrophobicContact CB-CD1 4.46Å; A223-L227 VanDerWaalsContact O-CB 3.28Å; A223-L227 WeakPolarHBondContact O-CB 3.32Å; A223-L227 PolarHBondContact O-N 3.44Å; L227-K229 PolarHBondContact O-N 2.84Å; L227-I253 WeakPolarHBondContact CD1-O 3.48Å
228G95.2Very high96.7Very high31 Ų3132.2 Ų32.232%0.3219%0.189SC..SBendtrans72.7-11.6-177.800000114.7D224 Y226D224-G228 CarbonylContact O-C 3.36Å; D224-G228 VanDerWaalsContact O-CA 3.25Å; D224-G228 WeakPolarHBondContact O-CA 3.42Å; D224-G228 PolarHBondContact O-N 2.98Å; D224-G228 VanDerWaalsContact O-N 3.12Å; Y226-G228 VanDerWaalsContact C-N 3.29Å; Y226-G228 PolarHBondContact O-N 3.48Å
229K95Very high96.5Very high107 Ų10740.3 Ų40.347%0.46522%0.22SC..SBendtrans-160.4133.6-179.9-171.3177.9179.5-178.40113.2L227 A233 N234L227-K229 PolarHBondContact O-N 2.84Å; K229-A233 HydrophobicContact CD-CB 4.29Å; K229-A233 HydrophobicContact CG-CB 3.63Å; K229-N234 PolarHBondContact NZ-ND2 3.21Å; K229-N234 PolarHBondContact NZ-OD1 2.96Å
230L97.4Very high96.4Very high2 Ų245.2 Ų45.21%0.0124%0.241CC..  trans-81.2152169.1-69.6168.6000113.4L197 A223 D224 W232 A233L197-L230 HydrophobicContact CB-CD1 4.35Å; A223-L230 HydrophobicContact CB-CD2 3.91Å; D224-L230 HydrophobicContact CB-CD1 4.08Å; D224-L230 HydrophobicContact CB-CG 3.96Å; L230-W232 HydrophobicContact CB-CD2 4.46Å; L230-W232 HydrophobicContact CB-CZ2 4.2Å; L230-W232 HydrophobicContact CD1-CZ2 3.95Å; L230-W232 HydrophobicContact CD2-CH2 4.44Å; L230-W232 HydrophobicContact CD2-CZ2 4Å; L230-W232 HydrophobicContact CG-CZ2 4.29Å; L230-W232 PolarHBondContact O-N 2.89Å; L230-A233 VanDerWaalsContact O-CB 3.23Å; L230-A233 WeakPolarHBondContact O-CB 3.49Å; L230-A233 PolarHBondContact O-N 3.38Å
231P97.5Very high96.4Very high68 Ų6845.2 Ų45.244%0.44224%0.241SC..THydrogen-bonded Turntrans-55.9-30.5-177.7-27.935.3000115.2T252P231-T252 HydrophobicContact CG-CG2 4.41Å; P231-T252 WeakPolarHBondContact CG-O 3.37Å
232W97.7Very high96.3Very high1 Ų145.2 Ų45.20%0.00424%0.241CC..THydrogen-bonded Turntrans-98.211.6-179.550.877.6000113.9L197 Y220 L230 N234 E235 I241 L244 K245 I253L197-W232 PolarHBondContact O-NE1 3.13Å; Y220-W232 AromaticContact CD1-CH2 3.77Å; Y220-W232 HydrophobicContact CD1-CH2 3.77Å; Y220-W232 AromaticContact CD1-CZ2 3.87Å; Y220-W232 HydrophobicContact CD1-CZ2 3.87Å; Y220-W232 HydrophobicContact CD2-CZ2 4.14Å; Y220-W232 AromaticContact CE1-CH2 3.59Å; Y220-W232 HydrophobicContact CE1-CH2 3.59Å; Y220-W232 HydrophobicContact CE1-CZ2 4.05Å; Y220-W232 HydrophobicContact CE2-CH2 4.46Å; Y220-W232 HydrophobicContact CE2-CZ2 4.3Å; Y220-W232 HydrophobicContact CG-CH2 4.31Å; Y220-W232 AromaticContact CG-CZ2 3.94Å; Y220-W232 HydrophobicContact CG-CZ2 3.94Å; Y220-W232 AromaticContact CZ-CH2 3.97Å; L230-W232 HydrophobicContact CB-CD2 4.46Å; L230-W232 HydrophobicContact CB-CZ2 4.2Å; L230-W232 HydrophobicContact CD1-CZ2 3.95Å; L230-W232 HydrophobicContact CD2-CH2 4.44Å; L230-W232 HydrophobicContact CD2-CZ2 4Å; L230-W232 HydrophobicContact CG-CZ2 4.29Å; L230-W232 PolarHBondContact O-N 2.89Å; W232-N234 PolarHBondContact O-N 3.06Å; W232-N234 VanDerWaalsContact O-N 3.14Å; W232-E235 PolarHBondContact O-N 3.48Å; W232-I241 HydrophobicContact CB-CG1 4.35Å; W232-I241 HydrophobicContact CB-CG2 4.22Å; W232-I241 HydrophobicContact CG-CG2 3.92Å; W232-L244 HydrophobicContact CB-CB 4.46Å; W232-L244 HydrophobicContact CB-CD1 3.99Å; W232-L244 HydrophobicContact CE3-CB 4.41Å; W232-K245 HydrophobicContact CD2-CG 3.79Å; W232-K245 HydrophobicContact CE3-CG 3.79Å; W232-K245 HydrophobicContact CH2-CG 3.65Å; W232-K245 HydrophobicContact CZ2-CD 4.18Å; W232-K245 VanDerWaalsContact CZ2-CE 3.46Å; W232-K245 HydrophobicContact CZ2-CG 3.63Å; W232-K245 HydrophobicContact CZ3-CB 4.43Å; W232-K245 HydrophobicContact CZ3-CG 3.72Å; W232-I253 HydrophobicContact CH2-CD1 4.23Å; W232-I253 HydrophobicContact CH2-CG1 4.25Å; W232-I253 HydrophobicContact CH2-CG2 3.98Å; W232-I253 HydrophobicContact CZ3-CD1 4.2Å; W232-I253 HydrophobicContact CZ3-CG1 4.06Å
233A95.7Very high96.2Very high19 Ų1951 Ų5116%0.15727%0.268CS..THydrogen-bonded Turntrans-56.7-36-173.200000113.5R196 L197 K229 L230R196-A233 PolarHBondContact NH2-O 3.32Å; L197-A233 HydrophobicContact CD2-CB 4.27Å; K229-A233 HydrophobicContact CD-CB 4.29Å; K229-A233 HydrophobicContact CG-CB 3.63Å; L230-A233 VanDerWaalsContact O-CB 3.23Å; L230-A233 WeakPolarHBondContact O-CB 3.49Å; L230-A233 PolarHBondContact O-N 3.38Å
234N95.4Very high96.2Very high135 Ų13553.9 Ų53.972%0.72228%0.283SS*.THydrogen-bonded Turntrans-88-5.7-178.6-68.6-5.4000114.4K229 W232K229-N234 PolarHBondContact NZ-ND2 3.21Å; K229-N234 PolarHBondContact NZ-OD1 2.96Å; W232-N234 PolarHBondContact O-N 3.06Å; W232-N234 VanDerWaalsContact O-N 3.14Å
235E96.7Very high96.2Very high42 Ų4253.6 Ų53.620%0.19628%0.282CS..  trans-80.5136.1178.4-179.651.9-107.600110.3R196 W232 D237 K240 I241 L244R196-E235 PolarHBondContact NH1-O 3.28Å; W232-E235 PolarHBondContact O-N 3.48Å; E235-D237 PolarHBondContact OE1-N 3.03Å; E235-K240 HydrophobicContact CG-CB 4.09Å; E235-K240 HydrophobicContact CG-CD 4.25Å; E235-K240 HydrophobicContact CG-CG 4.11Å; E235-K240 WeakPolarHBondContact OE2-CD 3.29Å; E235-K240 WeakPolarHBondContact OE2-CE 3.17Å; E235-K240 IonicContact OE2-NZ 3.95Å; E235-K240 PolarHBondContact OE2-NZ 3.11Å; E235-I241 HydrophobicContact CB-CD1 4.39Å; E235-I241 HydrophobicContact CB-CG1 3.8Å; E235-I241 HydrophobicContact CG-CD1 4.3Å; E235-I241 HydrophobicContact CG-CG1 3.61Å; E235-I241 WeakPolarHBondContact O-CD1 3.45Å; E235-L244 HydrophobicContact CB-CD1 4.49Å
236G93Very high96.1Very high57 Ų5758.1 Ų58.159%0.58830%0.299SS*.  trans-95.1-29179.700000113.6
237D94.8Very high96Very high84 Ų8459.9 Ų59.945%0.44932%0.318SS..  trans-80.8120.2-173.8-174.6-71.1000111.9E235 R239 K240 I241E235-D237 PolarHBondContact OE1-N 3.03Å; D237-R239 VanDerWaalsContact C-N 3.35Å; D237-R239 PolarHBondContact O-N 3.26Å; D237-R239 WeakPolarHBondContact OD1-CA 3.41Å; D237-R239 WeakPolarHBondContact OD1-CB 3.28Å; D237-R239 PolarHBondContact OD1-N 3.34Å; D237-K240 HydrophobicContact CB-CB 3.94Å; D237-K240 PolarHBondContact O-N 2.68Å; D237-K240 PolarHBondContact OD1-N 3.15Å; D237-I241 WeakPolarHBondContact O-CD1 3.38Å; D237-I241 WeakPolarHBondContact O-CG1 3.32Å; D237-I241 PolarHBondContact O-N 3.15Å
238I92.9Very high96Very high11 Ų1157.6 Ų57.66%0.05631%0.308CS..Hα-helixtrans-57.5-45.2-179.5-74.5-167.7000111.7F192 H204 K240 I241 G242 A322 Y324F192-I238 HydrophobicContact CD1-CD1 3.93Å; F192-I238 HydrophobicContact CD2-CD1 4.32Å; F192-I238 HydrophobicContact CD2-CG2 4.27Å; F192-I238 HydrophobicContact CE1-CD1 4.2Å; F192-I238 HydrophobicContact CG-CD1 4.01Å; H204-I238 HydrophobicContact CB-CG2 4.05Å; H204-I238 WeakPolarHBondContact ND1-CG2 3.32Å; H204-I238 PolarHBondContact ND1-O 3.49Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.34Å; I238-I241 PolarHBondContact O-N 3.47Å; I238-G242 PolarHBondContact O-N 2.65Å; I238-A322 HydrophobicContact CD1-CB 3.15Å; I238-A322 HydrophobicContact CG1-CB 3.81Å; I238-Y324 HydrophobicContact CD1-CE2 4.3Å
239R93.7Very high96.1Very high170 Ų17064.3 Ų64.364%0.64232%0.323SS*.Hα-helixtrans-66.5-40.9-176.7-66.6-178.7174.2-170.6-3.9110.9D237 I241 G242 Q243D237-R239 VanDerWaalsContact C-N 3.35Å; D237-R239 PolarHBondContact O-N 3.26Å; D237-R239 WeakPolarHBondContact OD1-CA 3.41Å; D237-R239 WeakPolarHBondContact OD1-CB 3.28Å; D237-R239 PolarHBondContact OD1-N 3.34Å; R239-I241 VanDerWaalsContact C-N 3.33Å; R239-I241 PolarHBondContact O-N 2.82Å; R239-G242 PolarHBondContact O-N 2.96Å; R239-Q243 PolarHBondContact O-N 2.99Å
240K96.6Very high96.2Very high104 Ų10459.4 Ų59.445%0.45230%0.303SS..Hα-helixtrans-65.4-36.1176.3-169.5166.5167.7-152.10112.1E235 D237 I238 Q243 L244E235-K240 HydrophobicContact CG-CB 4.09Å; E235-K240 HydrophobicContact CG-CD 4.25Å; E235-K240 HydrophobicContact CG-CG 4.11Å; E235-K240 WeakPolarHBondContact OE2-CD 3.29Å; E235-K240 WeakPolarHBondContact OE2-CE 3.17Å; E235-K240 IonicContact OE2-NZ 3.95Å; E235-K240 PolarHBondContact OE2-NZ 3.11Å; D237-K240 HydrophobicContact CB-CB 3.94Å; D237-K240 PolarHBondContact O-N 2.68Å; D237-K240 PolarHBondContact OD1-N 3.15Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.34Å; K240-Q243 PolarHBondContact O-N 3.41Å; K240-L244 HydrophobicContact CG-CD1 4.45Å; K240-L244 WeakPolarHBondContact O-CB 3.38Å; K240-L244 VanDerWaalsContact O-CG 3.29Å; K240-L244 WeakPolarHBondContact O-CG 3.33Å; K240-L244 PolarHBondContact O-N 3.36Å
241I97.8Very high96.2Very high0 Ų062.5 Ų62.50%032%0.319CS..Hα-helixtrans-64.6-45.7173.1-65.6159.9000110.9R196 H204 W232 E235 D237 I238 R239 Q243 L244 K245R196-I241 VanDerWaalsContact CD-CD1 3.41Å; R196-I241 HydrophobicContact CG-CD1 3.37Å; H204-I241 WeakPolarHBondContact CE1-CG2 3.28Å; W232-I241 HydrophobicContact CB-CG1 4.35Å; W232-I241 HydrophobicContact CB-CG2 4.22Å; W232-I241 HydrophobicContact CG-CG2 3.92Å; E235-I241 HydrophobicContact CB-CD1 4.39Å; E235-I241 HydrophobicContact CB-CG1 3.8Å; E235-I241 HydrophobicContact CG-CD1 4.3Å; E235-I241 HydrophobicContact CG-CG1 3.61Å; E235-I241 WeakPolarHBondContact O-CD1 3.45Å; D237-I241 WeakPolarHBondContact O-CD1 3.38Å; D237-I241 WeakPolarHBondContact O-CG1 3.32Å; D237-I241 PolarHBondContact O-N 3.15Å; I238-I241 PolarHBondContact O-N 3.47Å; R239-I241 VanDerWaalsContact C-N 3.33Å; R239-I241 PolarHBondContact O-N 2.82Å; I241-Q243 VanDerWaalsContact C-N 3.29Å; I241-Q243 PolarHBondContact O-N 3.29Å; I241-L244 PolarHBondContact O-N 3.15Å; I241-K245 HydrophobicContact CG2-CD 3.92Å; I241-K245 HydrophobicContact CG2-CG 4.37Å; I241-K245 WeakPolarHBondContact O-CB 3.4Å; I241-K245 WeakPolarHBondContact O-CG 3.28Å; I241-K245 PolarHBondContact O-N 2.84Å
242G97.1Very high96.2Very high0 Ų063.3 Ų63.30%032%0.323CS..Hα-helixtrans-55.5-44.5173.700000112.6H204 Y205 I238 R239 K245 R246H204-G242 VanDerWaalsContact CB-CA 3.42Å; Y205-G242 PolarHBondContact OH-O 3.31Å; I238-G242 PolarHBondContact O-N 2.65Å; R239-G242 PolarHBondContact O-N 2.96Å; G242-K245 PolarHBondContact O-N 2.92Å; G242-R246 WeakPolarHBondContact O-CB 3.24Å; G242-R246 PolarHBondContact O-N 2.69Å
243Q97.2Very high96.3Very high123 Ų12363.3 Ų63.358%0.57532%0.323SS*.Hα-helixtrans-61-51.9175.2-172.41804.300111.7Y205 R239 K240 I241 K245 R246 S247Y205-Q243 VanDerWaalsContact OH-CA 3.32Å; Y205-Q243 WeakPolarHBondContact OH-CA 3.27Å; Y205-Q243 PolarHBondContact OH-N 2.79Å; R239-Q243 PolarHBondContact O-N 2.99Å; K240-Q243 PolarHBondContact O-N 3.41Å; I241-Q243 VanDerWaalsContact C-N 3.29Å; I241-Q243 PolarHBondContact O-N 3.29Å; Q243-K245 VanDerWaalsContact C-N 3.31Å; Q243-K245 PolarHBondContact O-N 3.13Å; Q243-R246 PolarHBondContact O-N 3.22Å; Q243-R246 VanDerWaalsContact O-N 3.13Å; Q243-S247 WeakPolarHBondContact O-CB 3.11Å; Q243-S247 PolarHBondContact O-N 3.1Å; Q243-S247 PolarHBondContact O-OG 2.63Å
244L97.7Very high96.4Very high59 Ų5962.4 Ų62.431%0.30932%0.315SS..Hα-helixtrans-57.3-43.6178.1-72.7170.1000111.5W232 E235 K240 I241 S248W232-L244 HydrophobicContact CB-CB 4.46Å; W232-L244 HydrophobicContact CB-CD1 3.99Å; W232-L244 HydrophobicContact CE3-CB 4.41Å; E235-L244 HydrophobicContact CB-CD1 4.49Å; K240-L244 HydrophobicContact CG-CD1 4.45Å; K240-L244 WeakPolarHBondContact O-CB 3.38Å; K240-L244 VanDerWaalsContact O-CG 3.29Å; K240-L244 WeakPolarHBondContact O-CG 3.33Å; K240-L244 PolarHBondContact O-N 3.36Å; I241-L244 PolarHBondContact O-N 3.15Å; L244-S248 WeakPolarHBondContact O-CB 3.44Å; L244-S248 PolarHBondContact O-N 2.76Å; L244-S248 PolarHBondContact O-OG 2.97Å
245K97.7Very high96.5Very high0 Ų057.4 Ų57.40%030%0.296CS..Hα-helixtrans-60.8-44175.9-77.5173.3174.4178.30112.2R196 L197 A199 F201 H204 Y220 W232 I241 G242 Q243 Y265R196-K245 PolarHBondContact O-NZ 3.48Å; L197-K245 VanDerWaalsContact O-CE 3.27Å; L197-K245 WeakPolarHBondContact O-CE 3.45Å; L197-K245 PolarHBondContact O-NZ 2.69Å; A199-K245 WeakPolarHBondContact O-CE 3.41Å; A199-K245 PolarHBondContact O-NZ 2.89Å; F201-K245 HydrophobicContact CB-CB 3.89Å; H204-K245 PolarHBondContact NE2-NZ 2.99Å; H204-K245 VanDerWaalsContact NE2-NZ 3.15Å; Y220-K245 HydrophobicContact CE2-CD 3.94Å; Y220-K245 HydrophobicContact CE2-CG 4.14Å; W232-K245 HydrophobicContact CD2-CG 3.79Å; W232-K245 HydrophobicContact CE3-CG 3.79Å; W232-K245 HydrophobicContact CH2-CG 3.65Å; W232-K245 HydrophobicContact CZ2-CD 4.18Å; W232-K245 VanDerWaalsContact CZ2-CE 3.46Å; W232-K245 HydrophobicContact CZ2-CG 3.63Å; W232-K245 HydrophobicContact CZ3-CB 4.43Å; W232-K245 HydrophobicContact CZ3-CG 3.72Å; I241-K245 HydrophobicContact CG2-CD 3.92Å; I241-K245 HydrophobicContact CG2-CG 4.37Å; I241-K245 WeakPolarHBondContact O-CB 3.4Å; I241-K245 WeakPolarHBondContact O-CG 3.28Å; I241-K245 PolarHBondContact O-N 2.84Å; G242-K245 PolarHBondContact O-N 2.92Å; Q243-K245 VanDerWaalsContact C-N 3.31Å; Q243-K245 PolarHBondContact O-N 3.13Å; K245-Y265 PolarHBondContact O-OH 3.07Å; K245-Y265 VanDerWaalsContact O-OH 3.09Å
246R95.6Very high96.5Very high95 Ų9560.9 Ų60.936%0.35832%0.316SS..Hα-helixtrans-71.5-38.9-178.7-171.169.1179.4160.70.4112.2F201 Y205 G242 Q243 K269F201-R246 HydrophobicContact CB-CB 4.18Å; F201-R246 HydrophobicContact CG-CB 4.21Å; Y205-R246 HydrophobicContact CE2-CB 4.38Å; G242-R246 WeakPolarHBondContact O-CB 3.24Å; G242-R246 PolarHBondContact O-N 2.69Å; Q243-R246 PolarHBondContact O-N 3.22Å; Q243-R246 VanDerWaalsContact O-N 3.13Å; R246-K269 PolarHBondContact NH1-O 3.42Å; R246-K269 PolarHBondContact NH2-O 2.81Å; R246-K269 PolarHBondContact O-NZ 2.64Å
247S95.9Very high96.7Very high82 Ų8258.3 Ų58.357%0.57329%0.289SS*.Hα-helixtrans-90.8-22-17368.30000114.5Q243Q243-S247 WeakPolarHBondContact O-CB 3.11Å; Q243-S247 PolarHBondContact O-N 3.1Å; Q243-S247 PolarHBondContact O-OG 2.63Å
248S96.5Very high96.9Very high20 Ų2055.6 Ų55.614%0.1428%0.276CS..SBendtrans-63.9141.3-178.2-680000111.8L244L244-S248 WeakPolarHBondContact O-CB 3.44Å; L244-S248 PolarHBondContact O-N 2.76Å; L244-S248 PolarHBondContact O-OG 2.97Å
249R96.7Very high97.1Very high172 Ų17261.3 Ų61.365%0.64930%0.302SS*.  trans-71.6146.1172.5-64.8177.762.491.41.1109.2D251 T252 I253R249-D251 PolarHBondContact O-N 2.96Å; R249-T252 WeakPolarHBondContact O-CB 3.43Å; R249-T252 PolarHBondContact O-N 3.22Å; R249-I253 PolarHBondContact O-N 2.78Å
250A97.7Very high97.3Very high4 Ų454 Ų543%0.03328%0.277CS..Hα-helixtrans-54.3-38.9177.100000112T252 I253 F254 K262 Y265A250-T252 VanDerWaalsContact C-N 3.27Å; A250-T252 PolarHBondContact O-N 3.36Å; A250-I253 PolarHBondContact O-N 3.43Å; A250-I253 VanDerWaalsContact O-N 3.11Å; A250-F254 HydrophobicContact CB-CD2 4Å; A250-F254 HydrophobicContact CB-CE2 4.27Å; A250-F254 WeakPolarHBondContact O-CD2 3.5Å; A250-F254 PolarHBondContact O-N 2.69Å; A250-K262 HydrophobicContact CB-CB 3.88Å; A250-K262 HydrophobicContact CB-CG 4.18Å; A250-Y265 HydrophobicContact CB-CD1 4.15Å
251D97.4Very high97.3Very high66 Ų6649 Ų4935%0.35326%0.255SS..Hα-helixtrans-63.1-32.2177.2-56.4-61.4000113.3R249 I253 G255 K262 R266R249-D251 PolarHBondContact O-N 2.96Å; D251-I253 VanDerWaalsContact C-N 3.34Å; D251-G255 WeakPolarHBondContact O-CA 3Å; D251-G255 PolarHBondContact O-N 2.96Å; D251-G255 VanDerWaalsContact O-N 3.08Å; D251-K262 WeakPolarHBondContact OD1-CD 3.01Å; D251-K262 WeakPolarHBondContact OD1-CE 3.28Å; D251-K262 IonicContact OD1-NZ 2.71Å; D251-K262 PolarHBondContact OD1-NZ 2.97Å; D251-R266 IonicContact OD2-NH2 3.26Å
252T97.6Very high97.3Very high85 Ų8550.1 Ų50.152%0.52126%0.26SS..Hα-helixtrans-71.9-31175.7-52.10000112P231 R249 A250P231-T252 HydrophobicContact CG-CG2 4.41Å; P231-T252 WeakPolarHBondContact CG-O 3.37Å; R249-T252 WeakPolarHBondContact O-CB 3.43Å; R249-T252 PolarHBondContact O-N 3.22Å; A250-T252 VanDerWaalsContact C-N 3.27Å; A250-T252 PolarHBondContact O-N 3.36Å
253I98.2Very high97.4Very high1 Ų153.1 Ų53.11%0.00528%0.278CS..Hα-helixtrans-85.8-45.3-176.9-56.8172.5000110.9Y220 L227 W232 R249 A250 D251 Y265Y220-I253 HydrophobicContact CD1-CG2 3.93Å; Y220-I253 HydrophobicContact CE1-CD1 4.16Å; Y220-I253 HydrophobicContact CE1-CG2 4.03Å; L227-I253 WeakPolarHBondContact CD1-O 3.48Å; W232-I253 HydrophobicContact CH2-CD1 4.23Å; W232-I253 HydrophobicContact CH2-CG1 4.25Å; W232-I253 HydrophobicContact CH2-CG2 3.98Å; W232-I253 HydrophobicContact CZ3-CD1 4.2Å; W232-I253 HydrophobicContact CZ3-CG1 4.06Å; R249-I253 PolarHBondContact O-N 2.78Å; A250-I253 PolarHBondContact O-N 3.43Å; A250-I253 VanDerWaalsContact O-N 3.11Å; D251-I253 VanDerWaalsContact C-N 3.34Å; I253-Y265 HydrophobicContact CD1-CE1 3.95Å; I253-Y265 WeakPolarHBondContact CD1-OH 3.27Å
254F98.3Very high97.4Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-104.30.6-169.1-55.3-66000113.5F219 Y220 A223 A250 D256 M257 I261 K262 Y265F219-F254 HydrophobicContact CB-CE1 3.77Å; F219-F254 HydrophobicContact CB-CZ 3.95Å; F219-F254 WeakPolarHBondContact O-CE1 3.42Å; Y220-F254 HydrophobicContact CD1-CZ 4.48Å; A223-F254 HydrophobicContact CB-CD1 3.88Å; A223-F254 HydrophobicContact CB-CE1 4.21Å; A250-F254 HydrophobicContact CB-CD2 4Å; A250-F254 HydrophobicContact CB-CE2 4.27Å; A250-F254 WeakPolarHBondContact O-CD2 3.5Å; A250-F254 PolarHBondContact O-N 2.69Å; F254-D256 PolarHBondContact O-N 3.38Å; F254-M257 HydrophobicContact CB-CB 4.16Å; F254-M257 HydrophobicContact CB-CG 4.48Å; F254-M257 HydrophobicContact CB-SD 4.13Å; F254-M257 HydrophobicContact CD1-SD 4.12Å; F254-M257 WeakPolarHBondContact O-CB 3.49Å; F254-M257 WeakPolarHBondContact O-CG 3.45Å; F254-M257 PolarHBondContact O-N 2.79Å; F254-I261 HydrophobicContact CD1-CG2 3.96Å; F254-I261 HydrophobicContact CE1-CG2 4.21Å; F254-I261 HydrophobicContact CG-CG2 4.18Å; F254-K262 HydrophobicContact CB-CG 4.23Å; F254-K262 HydrophobicContact CD2-CG 4.2Å; F254-Y265 AromaticContact CE2-CD1 3.52Å; F254-Y265 HydrophobicContact CE2-CD1 3.52Å; F254-Y265 AromaticContact CE2-CD2 3.92Å; F254-Y265 HydrophobicContact CE2-CD2 3.92Å; F254-Y265 HydrophobicContact CE2-CE1 4.07Å; F254-Y265 HydrophobicContact CE2-CE2 4.45Å; F254-Y265 AromaticContact CE2-CG 3.4Å; F254-Y265 HydrophobicContact CE2-CG 3.4Å; F254-Y265 HydrophobicContact CZ-CD1 4.15Å; F254-Y265 AromaticContact CZ-CD2 3.67Å; F254-Y265 HydrophobicContact CZ-CD2 3.67Å; F254-Y265 HydrophobicContact CZ-CE2 4.2Å; F254-Y265 AromaticContact CZ-CG 3.62Å; F254-Y265 HydrophobicContact CZ-CG 3.62Å
255G97.3Very high97.4Very high31 Ų3145 Ų4532%0.3224%0.239SC..THydrogen-bonded Turntrans53.4-124.1176.500000112.9D251 K262D251-G255 WeakPolarHBondContact O-CA 3Å; D251-G255 PolarHBondContact O-N 2.96Å; D251-G255 VanDerWaalsContact O-N 3.08Å; G255-K262 VanDerWaalsContact O-CE 3.26Å; G255-K262 WeakPolarHBondContact O-CE 3.45Å; G255-K262 PolarHBondContact O-NZ 2.74Å
256D97Very high97.4Very high114 Ų11449.4 Ų49.461%0.6126%0.255SS*.THydrogen-bonded Turntrans-91.78178.561.8-24.1000114.4Y226 F254Y226-D256 VanDerWaalsContact CE1-OD1 3.25Å; Y226-D256 WeakPolarHBondContact CE1-OD1 3.23Å; Y226-D256 PolarHBondContact OH-OD1 3.04Å; Y226-D256 PolarHBondContact OH-OD2 2.83Å; F254-D256 PolarHBondContact O-N 3.38Å
257M98.1Very high97.5Very high3 Ų347.1 Ų47.12%0.01526%0.257CS..SBendtrans-57.5155.3173.5-66.5-178.98900112.3L121 V124 M222 A223 Y226 F254 I261 K262L121-M257 HydrophobicContact CD1-CE 4.2Å; L121-M257 HydrophobicContact CD1-CG 4.13Å; V124-M257 HydrophobicContact CG1-CE 4.17Å; M222-M257 HydrophobicContact CB-CE 4.02Å; M222-M257 HydrophobicContact CE-CE 4.33Å; A223-M257 HydrophobicContact CB-SD 4.26Å; Y226-M257 HydrophobicContact CD1-CG 3.41Å; Y226-M257 VanDerWaalsContact CD1-CG 3.41Å; Y226-M257 HydrophobicContact CD1-SD 4.06Å; Y226-M257 HydrophobicContact CE1-CG 3.68Å; Y226-M257 HydrophobicContact CG-CG 4.48Å; F254-M257 HydrophobicContact CB-CB 4.16Å; F254-M257 HydrophobicContact CB-CG 4.48Å; F254-M257 HydrophobicContact CB-SD 4.13Å; F254-M257 HydrophobicContact CD1-SD 4.12Å; F254-M257 WeakPolarHBondContact O-CB 3.49Å; F254-M257 WeakPolarHBondContact O-CG 3.45Å; F254-M257 PolarHBondContact O-N 2.79Å; M257-I261 HydrophobicContact CB-CD1 4.35Å; M257-I261 HydrophobicContact CE-CD1 3.57Å; M257-K262 WeakPolarHBondContact O-CE 3.45Å
258P97.7Very high97.5Very high28 Ų2843.4 Ų43.418%0.18223%0.231CC..  trans-50.2142.1-175.9-30.936.8000114.2L121 L125 C260 I261 A289L121-P258 HydrophobicContact CD2-CG 4.4Å; L125-P258 HydrophobicContact CD1-CG 4.39Å; P258-C260 PolarHBondContact O-N 3.23Å; P258-C260 VanDerWaalsContact O-N 3.15Å; P258-I261 WeakPolarHBondContact O-CB 3.4Å; P258-I261 PolarHBondContact O-N 2.89Å; P258-I261 VanDerWaalsContact O-N 3.08Å; P258-A289 HydrophobicContact CB-CB 4.08Å; P258-A289 HydrophobicContact CG-CB 4.06Å
259H97.1Very high97.5Very high131 Ų13144.5 Ų44.561%0.60623%0.233SC*.Hα-helixtrans-57.9-32.8-176.9-174.776.1000113.2I261 K262 T263H259-I261 VanDerWaalsContact C-N 3.31Å; H259-I261 PolarHBondContact O-N 3.02Å; H259-K262 WeakPolarHBondContact O-CB 3.3Å; H259-K262 PolarHBondContact O-N 2.71Å; H259-K262 VanDerWaalsContact O-N 3.1Å; H259-T263 PolarHBondContact NE2-OG1 2.86Å; H259-T263 PolarHBondContact O-N 2.86Å; H259-T263 PolarHBondContact O-OG1 2.86Å
260C97.4Very high97.5Very high16 Ų1642.2 Ų42.211%0.10823%0.234CC..Hα-helixtrans-56.6-41.9176.5550000112.3P258 K262 T263 M264 Q285P258-C260 PolarHBondContact O-N 3.23Å; P258-C260 VanDerWaalsContact O-N 3.15Å; C260-K262 VanDerWaalsContact C-N 3.3Å; C260-K262 PolarHBondContact O-N 3.15Å; C260-T263 PolarHBondContact O-N 3.15Å; C260-T263 VanDerWaalsContact O-N 3.11Å; C260-M264 HydrophobicContact CB-CE 4.41Å; C260-M264 WeakPolarHBondContact O-CB 3.45Å; C260-M264 WeakPolarHBondContact O-CG 3.35Å; C260-M264 PolarHBondContact O-N 2.79Å; C260-Q285 HydrophobicContact CB-CB 4.3Å
261I98.2Very high97.4Very high0 Ų044.6 Ų44.60%024%0.243CC..Hα-helixtrans-59.3-43.8176.7-64.9179.3000110.7L125 F219 M222 F254 M257 P258 H259 T263 M264 Y265 L286L125-I261 HydrophobicContact CD2-CD1 3.97Å; F219-I261 HydrophobicContact CD1-CG2 4.34Å; F219-I261 HydrophobicContact CG-CG2 4.44Å; M222-I261 HydrophobicContact CE-CD1 3.93Å; F254-I261 HydrophobicContact CD1-CG2 3.96Å; F254-I261 HydrophobicContact CE1-CG2 4.21Å; F254-I261 HydrophobicContact CG-CG2 4.18Å; M257-I261 HydrophobicContact CB-CD1 4.35Å; M257-I261 HydrophobicContact CE-CD1 3.57Å; P258-I261 WeakPolarHBondContact O-CB 3.4Å; P258-I261 PolarHBondContact O-N 2.89Å; P258-I261 VanDerWaalsContact O-N 3.08Å; H259-I261 VanDerWaalsContact C-N 3.31Å; H259-I261 PolarHBondContact O-N 3.02Å; I261-T263 VanDerWaalsContact C-N 3.31Å; I261-T263 PolarHBondContact O-N 2.86Å; I261-M264 HydrophobicContact CG1-CE 4.31Å; I261-Y265 VanDerWaalsContact O-CB 3.28Å; I261-Y265 WeakPolarHBondContact O-CB 3.35Å; I261-Y265 PolarHBondContact O-N 2.96Å; I261-L286 HydrophobicContact CD1-CD2 4.23Å; I261-L286 HydrophobicContact CG1-CD2 4.02Å
262K98Very high97.3Very high22 Ų2244.8 Ų44.810%0.09625%0.25CC..Hα-helixtrans-65.1-37.3178.5-57.5177.9-178.9-177.40111.4A250 D251 F254 G255 M257 H259 C260 R266A250-K262 HydrophobicContact CB-CB 3.88Å; A250-K262 HydrophobicContact CB-CG 4.18Å; D251-K262 WeakPolarHBondContact OD1-CD 3.01Å; D251-K262 WeakPolarHBondContact OD1-CE 3.28Å; D251-K262 IonicContact OD1-NZ 2.71Å; D251-K262 PolarHBondContact OD1-NZ 2.97Å; F254-K262 HydrophobicContact CB-CG 4.23Å; F254-K262 HydrophobicContact CD2-CG 4.2Å; G255-K262 VanDerWaalsContact O-CE 3.26Å; G255-K262 WeakPolarHBondContact O-CE 3.45Å; G255-K262 PolarHBondContact O-NZ 2.74Å; M257-K262 WeakPolarHBondContact O-CE 3.45Å; H259-K262 WeakPolarHBondContact O-CB 3.3Å; H259-K262 PolarHBondContact O-N 2.71Å; H259-K262 VanDerWaalsContact O-N 3.1Å; C260-K262 VanDerWaalsContact C-N 3.3Å; C260-K262 PolarHBondContact O-N 3.15Å; K262-R266 VanDerWaalsContact O-CG 3.25Å; K262-R266 WeakPolarHBondContact O-CG 3.25Å; K262-R266 PolarHBondContact O-N 3.01Å; K262-R266 PolarHBondContact O-NH1 3.08Å
263T97.8Very high97.2Very high63 Ų6342.9 Ų42.939%0.38723%0.233SC..Hα-helixtrans-70.2-50.1177.9-63.90000111.5H259 C260 I261 Y265 R266 A267H259-T263 PolarHBondContact NE2-OG1 2.86Å; H259-T263 PolarHBondContact O-N 2.86Å; H259-T263 PolarHBondContact O-OG1 2.86Å; C260-T263 PolarHBondContact O-N 3.15Å; C260-T263 VanDerWaalsContact O-N 3.11Å; I261-T263 VanDerWaalsContact C-N 3.31Å; I261-T263 PolarHBondContact O-N 2.86Å; T263-Y265 PolarHBondContact O-N 2.9Å; T263-R266 PolarHBondContact O-N 3.25Å; T263-R266 VanDerWaalsContact O-N 3.13Å; T263-A267 PolarHBondContact O-N 2.75Å
264M97.8Very high97.1Very high11 Ų1144.1 Ų44.15%0.05425%0.246CC..Hα-helixtrans-58.8-45.6176.3-67.8-174.6-68.500111.5F219 C260 I261 R266 A267 L268 I282 Q285 L286F219-M264 HydrophobicContact CE1-CE 4.27Å; F219-M264 HydrophobicContact CE2-CB 3.72Å; F219-M264 HydrophobicContact CZ-CB 3.74Å; F219-M264 HydrophobicContact CZ-CE 3.9Å; F219-M264 HydrophobicContact CZ-SD 4.23Å; C260-M264 HydrophobicContact CB-CE 4.41Å; C260-M264 WeakPolarHBondContact O-CB 3.45Å; C260-M264 WeakPolarHBondContact O-CG 3.35Å; C260-M264 PolarHBondContact O-N 2.79Å; I261-M264 HydrophobicContact CG1-CE 4.31Å; M264-R266 VanDerWaalsContact C-N 3.32Å; M264-R266 PolarHBondContact O-N 2.91Å; M264-A267 WeakPolarHBondContact O-CB 3.46Å; M264-A267 PolarHBondContact O-N 2.86Å; M264-A267 VanDerWaalsContact O-N 3.12Å; M264-L268 WeakPolarHBondContact O-CG 3.39Å; M264-L268 PolarHBondContact O-N 2.73Å; M264-I282 HydrophobicContact CE-CG2 4.41Å; M264-I282 HydrophobicContact SD-CB 3.97Å; M264-I282 HydrophobicContact SD-CG1 3.92Å; M264-I282 HydrophobicContact SD-CG2 3.77Å; M264-Q285 HydrophobicContact CE-CB 3.99Å; M264-Q285 HydrophobicContact SD-CB 3.78Å; M264-Q285 HydrophobicContact SD-CG 4.35Å; M264-L286 HydrophobicContact CE-CD2 4.06Å; M264-L286 HydrophobicContact CE-CG 4.32Å
265Y97.9Very high96.9Very high1 Ų148.3 Ų48.30%0.00427%0.266CS..Hα-helixtrans-57.3-43175.1171-102.6000112.8I216 F219 Y220 K245 A250 I253 F254 I261 T263 A267 L268 K269I216-Y265 HydrophobicContact CG2-CE2 4.26Å; F219-Y265 HydrophobicContact CD2-CD2 4.47Å; Y220-Y265 HydrophobicContact CE1-CD2 4.43Å; Y220-Y265 AromaticContact CE1-CE2 3.58Å; Y220-Y265 HydrophobicContact CE1-CE2 3.58Å; Y220-Y265 AromaticContact CZ-CE2 3.78Å; Y220-Y265 WeakPolarHBondContact OH-CE2 3.34Å; Y220-Y265 PolarHBondContact OH-OH 2.82Å; K245-Y265 PolarHBondContact O-OH 3.07Å; K245-Y265 VanDerWaalsContact O-OH 3.09Å; A250-Y265 HydrophobicContact CB-CD1 4.15Å; I253-Y265 HydrophobicContact CD1-CE1 3.95Å; I253-Y265 WeakPolarHBondContact CD1-OH 3.27Å; F254-Y265 AromaticContact CE2-CD1 3.52Å; F254-Y265 HydrophobicContact CE2-CD1 3.52Å; F254-Y265 AromaticContact CE2-CD2 3.92Å; F254-Y265 HydrophobicContact CE2-CD2 3.92Å; F254-Y265 HydrophobicContact CE2-CE1 4.07Å; F254-Y265 HydrophobicContact CE2-CE2 4.45Å; F254-Y265 AromaticContact CE2-CG 3.4Å; F254-Y265 HydrophobicContact CE2-CG 3.4Å; F254-Y265 HydrophobicContact CZ-CD1 4.15Å; F254-Y265 AromaticContact CZ-CD2 3.67Å; F254-Y265 HydrophobicContact CZ-CD2 3.67Å; F254-Y265 HydrophobicContact CZ-CE2 4.2Å; F254-Y265 AromaticContact CZ-CG 3.62Å; F254-Y265 HydrophobicContact CZ-CG 3.62Å; I261-Y265 VanDerWaalsContact O-CB 3.28Å; I261-Y265 WeakPolarHBondContact O-CB 3.35Å; I261-Y265 PolarHBondContact O-N 2.96Å; T263-Y265 PolarHBondContact O-N 2.9Å; Y265-A267 VanDerWaalsContact C-N 3.32Å; Y265-A267 PolarHBondContact O-N 2.88Å; Y265-L268 PolarHBondContact O-N 3.12Å; Y265-K269 HydrophobicContact CD1-CD 4.25Å; Y265-K269 HydrophobicContact CE1-CD 3.64Å; Y265-K269 HydrophobicContact CE1-CG 4.34Å; Y265-K269 HydrophobicContact CE2-CG 4.44Å; Y265-K269 WeakPolarHBondContact O-CG 3.38Å; Y265-K269 PolarHBondContact O-N 2.93Å
266R97.5Very high96.8Very high93 Ų9351.8 Ų51.835%0.35127%0.273SS..Hα-helixtrans-64.4-37.7177.2-73.1176.7-161.3110.4-4.8111.7D251 K262 T263 M264 N270D251-R266 IonicContact OD2-NH2 3.26Å; K262-R266 VanDerWaalsContact O-CG 3.25Å; K262-R266 WeakPolarHBondContact O-CG 3.25Å; K262-R266 PolarHBondContact O-N 3.01Å; K262-R266 PolarHBondContact O-NH1 3.08Å; T263-R266 PolarHBondContact O-N 3.25Å; T263-R266 VanDerWaalsContact O-N 3.13Å; M264-R266 VanDerWaalsContact C-N 3.32Å; M264-R266 PolarHBondContact O-N 2.91Å; R266-N270 PolarHBondContact O-ND2 3.46Å
267A96.9Very high96.7Very high47 Ų4747.8 Ų47.839%0.38825%0.251SS..Hα-helixtrans-64.6-49.7175.100000111.2T263 M264 Y265 K269 N270 F271T263-A267 PolarHBondContact O-N 2.75Å; M264-A267 WeakPolarHBondContact O-CB 3.46Å; M264-A267 PolarHBondContact O-N 2.86Å; M264-A267 VanDerWaalsContact O-N 3.12Å; Y265-A267 VanDerWaalsContact C-N 3.32Å; Y265-A267 PolarHBondContact O-N 2.88Å; A267-K269 PolarHBondContact O-N 3.42Å; A267-K269 VanDerWaalsContact O-N 3.08Å; A267-N270 WeakPolarHBondContact O-CB 3.32Å; A267-N270 PolarHBondContact O-N 3.23Å; A267-F271 WeakPolarHBondContact O-CD2 3.43Å
268L97.3Very high96.5Very high4 Ų452 Ų522%0.02127%0.273CS..Hα-helixtrans-56.4-28.4179.3-71.2175.3000113.6H212 M215 I216 F219 M264 Y265 N270 F271 F277 I282H212-L268 HydrophobicContact CB-CD2 4.15Å; M215-L268 HydrophobicContact CB-CD1 3.6Å; M215-L268 HydrophobicContact CB-CD2 4.15Å; I216-L268 HydrophobicContact CD1-CB 4.27Å; I216-L268 HydrophobicContact CG1-CB 3.86Å; I216-L268 HydrophobicContact CG1-CD1 4.25Å; F219-L268 HydrophobicContact CD2-CD1 3.81Å; F219-L268 HydrophobicContact CE2-CD1 3.37Å; F219-L268 HydrophobicContact CZ-CD1 4.27Å; M264-L268 WeakPolarHBondContact O-CG 3.39Å; M264-L268 PolarHBondContact O-N 2.73Å; Y265-L268 PolarHBondContact O-N 3.12Å; L268-N270 PolarHBondContact O-N 2.98Å; L268-F271 HydrophobicContact CD2-CD2 4.49Å; L268-F271 PolarHBondContact O-N 2.95Å; L268-F277 HydrophobicContact CD2-CD1 4.28Å; L268-F277 HydrophobicContact CD2-CE1 3.99Å; L268-F277 HydrophobicContact CD2-CE2 4.42Å; L268-F277 HydrophobicContact CD2-CZ 4.09Å; L268-I282 HydrophobicContact CD2-CD1 4.41Å
269K95.7Very high96.5Very high43 Ų4351.6 Ų51.619%0.18727%0.269CS..THydrogen-bonded Turntrans-64.1-16.7176.3-76.8-179.573.5168.90114.6F201 R246 Y265 A267F201-K269 HydrophobicContact CE1-CG 3.9Å; F201-K269 HydrophobicContact CZ-CG 4.23Å; R246-K269 PolarHBondContact NH1-O 3.42Å; R246-K269 PolarHBondContact NH2-O 2.81Å; R246-K269 PolarHBondContact O-NZ 2.64Å; Y265-K269 HydrophobicContact CD1-CD 4.25Å; Y265-K269 HydrophobicContact CE1-CD 3.64Å; Y265-K269 HydrophobicContact CE1-CG 4.34Å; Y265-K269 HydrophobicContact CE2-CG 4.44Å; Y265-K269 WeakPolarHBondContact O-CG 3.38Å; Y265-K269 PolarHBondContact O-N 2.93Å; A267-K269 PolarHBondContact O-N 3.42Å; A267-K269 VanDerWaalsContact O-N 3.08Å
270N95.9Very high96.6Very high124 Ų12449.9 Ų49.966%0.66326%0.264SS*.THydrogen-bonded Turntrans-98-9.3-177.4-59.2-38.3000113R266 A267 L268R266-N270 PolarHBondContact O-ND2 3.46Å; A267-N270 WeakPolarHBondContact O-CB 3.32Å; A267-N270 PolarHBondContact O-N 3.23Å; L268-N270 PolarHBondContact O-N 2.98Å
271F96.9Very high96.6Very high54 Ų5454.3 Ų54.324%0.23728%0.283CS..  trans-77.4149.2176.1-73.5-95.9000111.7H212 A267 L268 E275 Q276 F277H212-F271 HydrophobicContact CB-CB 3.71Å; H212-F271 HydrophobicContact CB-CG 4.34Å; H212-F271 PolarHBondContact CD2-O 3.05Å; H212-F271 PolarHBondContact NE2-O 3.29Å; H212-F271 VanDerWaalsContact NE2-O 3.16Å; A267-F271 WeakPolarHBondContact O-CD2 3.43Å; L268-F271 HydrophobicContact CD2-CD2 4.49Å; L268-F271 PolarHBondContact O-N 2.95Å; F271-E275 WeakPolarHBondContact CA-OE2 3.21Å; F271-E275 HydrophobicContact CD1-CB 3.85Å; F271-Q276 WeakPolarHBondContact CE1-O 3.24Å; F271-F277 HydrophobicContact CD1-CD1 4.04Å; F271-F277 HydrophobicContact CE1-CB 3.68Å; F271-F277 AromaticContact CE1-CD1 3.99Å; F271-F277 HydrophobicContact CE1-CD1 3.99Å; F271-F277 HydrophobicContact CE1-CG 4.31Å; F271-F277 HydrophobicContact CG-CD1 4.44Å; F271-F277 HydrophobicContact CZ-CB 3.65Å; F271-F277 HydrophobicContact CZ-CD1 4.29Å; F271-F277 HydrophobicContact CZ-CG 4.33Å
272S95.4Very high96.6Very high70 Ų7054.8 Ų54.849%0.4929%0.286SS..  trans-119.5163.3178.2-55.40000110.4G274 E275S272-G274 PolarHBondContact O-N 3.35Å; S272-E275 WeakPolarHBondContact CB-OE2 3.39Å; S272-E275 PolarHBondContact N-OE2 2.89Å; S272-E275 WeakPolarHBondContact O-CB 3.33Å; S272-E275 PolarHBondContact O-N 3.43Å; S272-E275 VanDerWaalsContact O-N 3.16Å
273Y95.9Very high96.6Very high45 Ų4554.6 Ų54.618%0.17629%0.285CS..THydrogen-bonded Turntrans-54.7130.6176.8178.2-86.1000111.7I175 V183 I184 P186 E208 L209I175-Y273 HydrophobicContact CG2-CE2 3.94Å; V183-Y273 HydrophobicContact CG1-CD1 4.29Å; V183-Y273 HydrophobicContact CG1-CE1 3.55Å; I184-Y273 WeakPolarHBondContact O-CE1 3.17Å; I184-Y273 VanDerWaalsContact O-CZ 3.31Å; I184-Y273 PolarHBondContact O-OH 2.8Å; P186-Y273 HydrophobicContact CB-CD1 3.73Å; P186-Y273 HydrophobicContact CB-CD2 4.47Å; P186-Y273 HydrophobicContact CB-CE1 3.87Å; P186-Y273 HydrophobicContact CB-CG 4.05Å; P186-Y273 HydrophobicContact CG-CD1 3.86Å; P186-Y273 HydrophobicContact CG-CE1 4.15Å; E208-Y273 HydrophobicContact CB-CD2 4.15Å; E208-Y273 HydrophobicContact CB-CE2 4.33Å; E208-Y273 HydrophobicContact CG-CD2 3.9Å; E208-Y273 HydrophobicContact CG-CE2 3.6Å; L209-Y273 WeakPolarHBondContact O-CD2 3.35Å; L209-Y273 WeakPolarHBondContact O-CE2 3.4Å
274G94.4Very high96.6Very high26 Ų2657.1 Ų57.127%0.26829%0.293SS..THydrogen-bonded Turntrans92.2-18.6179.800000114.8S272 Q276S272-G274 PolarHBondContact O-N 3.35Å; G274-Q276 PolarHBondContact O-NE2 2.83Å
275E95.4Very high96.6Very high89 Ų8958.5 Ų58.542%0.41630%0.299SS..  trans-69.7143.6174.4-64.2-172.9113.400111F271 S272F271-E275 WeakPolarHBondContact CA-OE2 3.21Å; F271-E275 HydrophobicContact CD1-CB 3.85Å; S272-E275 WeakPolarHBondContact CB-OE2 3.39Å; S272-E275 PolarHBondContact N-OE2 2.89Å; S272-E275 WeakPolarHBondContact O-CB 3.33Å; S272-E275 PolarHBondContact O-N 3.43Å; S272-E275 VanDerWaalsContact O-N 3.16Å
276Q93.9Very high96.6Very high103 Ų10358.4 Ų58.448%0.48130%0.299SS..  trans-105.9151.7178.6-57.7-60.3-56.600109.9F271 G274F271-Q276 WeakPolarHBondContact CE1-O 3.24Å; G274-Q276 PolarHBondContact O-NE2 2.83Å
277F95Very high96.7Very high31 Ų3156.2 Ų56.214%0.13630%0.296CS..  trans-141.3165.516855.9-94000109.1I211 H212 M215 L268 F271 H279 I282I211-F277 HydrophobicContact CB-CE1 4.47Å; I211-F277 HydrophobicContact CD1-CD1 4.16Å; I211-F277 HydrophobicContact CD1-CE1 3.83Å; I211-F277 HydrophobicContact CD1-CZ 4.24Å; I211-F277 HydrophobicContact CG1-CD1 4.37Å; I211-F277 HydrophobicContact CG1-CE1 3.7Å; I211-F277 HydrophobicContact CG1-CZ 4.23Å; H212-F277 HydrophobicContact CB-CD1 4.44Å; H212-F277 HydrophobicContact CB-CE1 3.73Å; M215-F277 HydrophobicContact CB-CZ 4.26Å; M215-F277 HydrophobicContact CG-CE2 3.82Å; M215-F277 HydrophobicContact CG-CZ 3.45Å; M215-F277 VanDerWaalsContact CG-CZ 3.45Å; L268-F277 HydrophobicContact CD2-CD1 4.28Å; L268-F277 HydrophobicContact CD2-CE1 3.99Å; L268-F277 HydrophobicContact CD2-CE2 4.42Å; L268-F277 HydrophobicContact CD2-CZ 4.09Å; F271-F277 HydrophobicContact CD1-CD1 4.04Å; F271-F277 HydrophobicContact CE1-CB 3.68Å; F271-F277 AromaticContact CE1-CD1 3.99Å; F271-F277 HydrophobicContact CE1-CD1 3.99Å; F271-F277 HydrophobicContact CE1-CG 4.31Å; F271-F277 HydrophobicContact CG-CD1 4.44Å; F271-F277 HydrophobicContact CZ-CB 3.65Å; F271-F277 HydrophobicContact CZ-CD1 4.29Å; F271-F277 HydrophobicContact CZ-CG 4.33Å; F277-H279 AromaticContact CE2-CD2 3.69Å; F277-H279 AromaticContact CE2-CE1 3.8Å; F277-H279 AromaticContact CE2-NE2 3.4Å; F277-H279 WeakPolarHBondContact CE2-NE2 3.49Å; F277-H279 AromaticContact CZ-NE2 3.62Å; F277-H279 PolarHBondContact O-N 3.45Å; F277-I282 HydrophobicContact CD2-CD1 3.86Å; F277-I282 HydrophobicContact CE2-CD1 3.64Å
278D95.4Very high96.7Very high91 Ų9158.1 Ų58.149%0.48730%0.297SS..  trans-80.8112.6179.1-167.5-14.4000110.7D280 E281D278-D280 VanDerWaalsContact C-N 3.29Å; D278-D280 VanDerWaalsContact OD1-CB 3.31Å; D278-D280 WeakPolarHBondContact OD1-CB 3.42Å; D278-D280 PolarHBondContact OD1-N 3.21Å; D278-E281 HydrophobicContact CB-CB 4.21Å
279H97.8Very high96.7Very high19 Ų1958.1 Ų58.19%0.08830%0.297CS..Hα-helixtrans-66.8-32.4174.4-67.582.6000111.8S136 H139 F277 E281 I282 I283S136-H279 WeakPolarHBondContact OG-CB 3.35Å; H139-H279 AromaticContact CE1-NE2 3.59Å; H139-H279 AromaticContact CG-NE2 3.88Å; H139-H279 AromaticContact ND1-CD2 3.73Å; H139-H279 AromaticContact ND1-CE1 3.5Å; H139-H279 AromaticContact ND1-NE2 2.84Å; H139-H279 PolarHBondContact ND1-NE2 3.45Å; F277-H279 AromaticContact CE2-CD2 3.69Å; F277-H279 AromaticContact CE2-CE1 3.8Å; F277-H279 AromaticContact CE2-NE2 3.4Å; F277-H279 WeakPolarHBondContact CE2-NE2 3.49Å; F277-H279 AromaticContact CZ-NE2 3.62Å; F277-H279 PolarHBondContact O-N 3.45Å; H279-E281 VanDerWaalsContact C-N 3.31Å; H279-E281 PolarHBondContact O-N 3.46Å; H279-I282 WeakPolarHBondContact O-CB 3.48Å; H279-I282 PolarHBondContact O-N 3.19Å; H279-I282 VanDerWaalsContact O-N 3.1Å; H279-I283 HydrophobicContact CB-CD1 4.47Å; H279-I283 WeakPolarHBondContact O-CG1 3.49Å; H279-I283 PolarHBondContact O-N 2.88Å
280D97.8Very high96.8Very high95 Ų9556 Ų5651%0.50829%0.288SS..Hα-helixtrans-65.3-38.2-177.6-65.8-21.6000110.2D278 I282 I283 E284D278-D280 VanDerWaalsContact C-N 3.29Å; D278-D280 VanDerWaalsContact OD1-CB 3.31Å; D278-D280 WeakPolarHBondContact OD1-CB 3.42Å; D278-D280 PolarHBondContact OD1-N 3.21Å; D280-I282 VanDerWaalsContact C-N 3.26Å; D280-I282 PolarHBondContact O-N 2.82Å; D280-I283 PolarHBondContact O-N 2.79Å; D280-E284 WeakPolarHBondContact O-CB 3.43Å; D280-E284 VanDerWaalsContact O-CG 3.29Å; D280-E284 WeakPolarHBondContact O-CG 3.44Å; D280-E284 PolarHBondContact O-N 3.38Å
281E97.5Very high96.9Very high110 Ų11054 Ų5451%0.51428%0.277SS..Hα-helixtrans-58.1-39.2174.1-167-167.6152.900111.9D278 H279 Q285D278-E281 HydrophobicContact CB-CB 4.21Å; H279-E281 VanDerWaalsContact C-N 3.31Å; H279-E281 PolarHBondContact O-N 3.46Å; E281-Q285 WeakPolarHBondContact O-CB 3.5Å; E281-Q285 VanDerWaalsContact O-CG 3.32Å; E281-Q285 WeakPolarHBondContact O-CG 3.19Å; E281-Q285 PolarHBondContact O-N 2.8Å; E281-Q285 PolarHBondContact OE1-NE2 3.11Å
282I97.9Very high96.8Very high9 Ų959.5 Ų59.55%0.04630%0.296CS..Hα-helixtrans-70.3-46.5177.7-64.2174.8000110.4M215 F219 M264 L268 F277 H279 D280 Q285 L286M215-I282 HydrophobicContact CE-CB 4.3Å; M215-I282 HydrophobicContact CE-CD1 3.77Å; M215-I282 HydrophobicContact CE-CG2 3.64Å; M215-I282 HydrophobicContact CG-CD1 4.47Å; F219-I282 HydrophobicContact CE1-CG2 4.41Å; F219-I282 HydrophobicContact CZ-CG2 4.09Å; M264-I282 HydrophobicContact CE-CG2 4.41Å; M264-I282 HydrophobicContact SD-CB 3.97Å; M264-I282 HydrophobicContact SD-CG1 3.92Å; M264-I282 HydrophobicContact SD-CG2 3.77Å; L268-I282 HydrophobicContact CD2-CD1 4.41Å; F277-I282 HydrophobicContact CD2-CD1 3.86Å; F277-I282 HydrophobicContact CE2-CD1 3.64Å; H279-I282 WeakPolarHBondContact O-CB 3.48Å; H279-I282 PolarHBondContact O-N 3.19Å; H279-I282 VanDerWaalsContact O-N 3.1Å; D280-I282 VanDerWaalsContact C-N 3.26Å; D280-I282 PolarHBondContact O-N 2.82Å; I282-Q285 PolarHBondContact O-N 2.61Å; I282-L286 HydrophobicContact CG2-CD1 4.31Å; I282-L286 WeakPolarHBondContact O-CG 3.41Å; I282-L286 PolarHBondContact O-N 3.15Å; I282-L286 VanDerWaalsContact O-N 3.08Å
283I98.5Very high96.8Very high18 Ų1860.2 Ų60.29%0.09229%0.294CS..Hα-helixtrans-60.9-48.2-179.7-68.2162.3000110.1I129 A132 E133 H279 D280 Q285 L286 V287I129-I283 HydrophobicContact CG2-CG2 4.35Å; A132-I283 HydrophobicContact CB-CD1 4.44Å; A132-I283 HydrophobicContact CB-CG1 3.72Å; E133-I283 HydrophobicContact CG-CD1 3.89Å; E133-I283 HydrophobicContact CG-CG1 4.39Å; E133-I283 HydrophobicContact CG-CG2 4.38Å; H279-I283 HydrophobicContact CB-CD1 4.47Å; H279-I283 WeakPolarHBondContact O-CG1 3.49Å; H279-I283 PolarHBondContact O-N 2.88Å; D280-I283 PolarHBondContact O-N 2.79Å; I283-Q285 VanDerWaalsContact C-N 3.34Å; I283-Q285 PolarHBondContact O-N 3.24Å; I283-L286 WeakPolarHBondContact O-CB 3.2Å; I283-L286 PolarHBondContact O-N 3.38Å; I283-L286 VanDerWaalsContact O-N 3.1Å; I283-V287 HydrophobicContact CG2-CG2 4.36Å; I283-V287 WeakPolarHBondContact O-CG2 3.07Å; I283-V287 PolarHBondContact O-N 2.71Å
284E98.2Very high96.8Very high117 Ų11765 Ų6555%0.54732%0.323SS..Hα-helixtrans-58.5-43177.5-75.1-176.5179.500112.2D280 L286 V287 Q288D280-E284 WeakPolarHBondContact O-CB 3.43Å; D280-E284 VanDerWaalsContact O-CG 3.29Å; D280-E284 WeakPolarHBondContact O-CG 3.44Å; D280-E284 PolarHBondContact O-N 3.38Å; E284-L286 VanDerWaalsContact C-N 3.31Å; E284-L286 PolarHBondContact O-N 2.9Å; E284-V287 PolarHBondContact O-N 3.4Å; E284-Q288 WeakPolarHBondContact O-CB 3.24Å; E284-Q288 VanDerWaalsContact O-CG 3.29Å; E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 2.92Å
285Q98.1Very high96.7Very high39 Ų3964.3 Ų64.318%0.18231%0.314CS..Hα-helixtrans-64.8-34.2176.9-78.1-172.572.400112.8C260 M264 E281 I282 I283 A289C260-Q285 HydrophobicContact CB-CB 4.3Å; M264-Q285 HydrophobicContact CE-CB 3.99Å; M264-Q285 HydrophobicContact SD-CB 3.78Å; M264-Q285 HydrophobicContact SD-CG 4.35Å; E281-Q285 WeakPolarHBondContact O-CB 3.5Å; E281-Q285 VanDerWaalsContact O-CG 3.32Å; E281-Q285 WeakPolarHBondContact O-CG 3.19Å; E281-Q285 PolarHBondContact O-N 2.8Å; E281-Q285 PolarHBondContact OE1-NE2 3.11Å; I282-Q285 PolarHBondContact O-N 2.61Å; I283-Q285 VanDerWaalsContact C-N 3.34Å; I283-Q285 PolarHBondContact O-N 3.24Å; Q285-A289 WeakPolarHBondContact O-CB 3.18Å; Q285-A289 PolarHBondContact O-N 3.22Å; Q285-A289 VanDerWaalsContact O-N 3.1Å
286L98.2Very high96.4Very high0 Ų061.4 Ų61.40%030%0.303CS..Hα-helixtrans-71.1-41.7173.9-67.5177.9000111.7L125 I129 A132 M222 I261 M264 I282 I283 E284 A289 A290L125-L286 HydrophobicContact CD2-CD2 4.04Å; I129-L286 HydrophobicContact CD1-CB 4.41Å; I129-L286 HydrophobicContact CG1-CB 3.61Å; A132-L286 HydrophobicContact CB-CD1 4.46Å; M222-L286 HydrophobicContact CE-CD2 3.91Å; I261-L286 HydrophobicContact CD1-CD2 4.23Å; I261-L286 HydrophobicContact CG1-CD2 4.02Å; M264-L286 HydrophobicContact CE-CD2 4.06Å; M264-L286 HydrophobicContact CE-CG 4.32Å; I282-L286 HydrophobicContact CG2-CD1 4.31Å; I282-L286 WeakPolarHBondContact O-CG 3.41Å; I282-L286 PolarHBondContact O-N 3.15Å; I282-L286 VanDerWaalsContact O-N 3.08Å; I283-L286 WeakPolarHBondContact O-CB 3.2Å; I283-L286 PolarHBondContact O-N 3.38Å; I283-L286 VanDerWaalsContact O-N 3.1Å; E284-L286 VanDerWaalsContact C-N 3.31Å; E284-L286 PolarHBondContact O-N 2.9Å; L286-A289 PolarHBondContact O-N 2.88Å; L286-A290 PolarHBondContact O-N 2.59Å
287V98Very high96.1Very high46 Ų4665.1 Ų65.128%0.27932%0.318SS..Hα-helixtrans-59.3-50.7174.4171.10000110.4I129 I283 E284 A289 A290 D291I129-V287 HydrophobicContact CD1-CB 4.4Å; I129-V287 HydrophobicContact CD1-CG2 3.78Å; I129-V287 HydrophobicContact CG1-CG2 4.05Å; I129-V287 HydrophobicContact CG2-CG2 4.21Å; I283-V287 HydrophobicContact CG2-CG2 4.36Å; I283-V287 WeakPolarHBondContact O-CG2 3.07Å; I283-V287 PolarHBondContact O-N 2.71Å; E284-V287 PolarHBondContact O-N 3.4Å; V287-A289 VanDerWaalsContact C-N 3.27Å; V287-A289 PolarHBondContact O-N 2.82Å; V287-A290 WeakPolarHBondContact O-CB 3.43Å; V287-A290 PolarHBondContact O-N 2.92Å; V287-A290 VanDerWaalsContact O-N 3.1Å; V287-D291 VanDerWaalsContact O-CG 3.29Å; V287-D291 PolarHBondContact O-N 2.91Å
288Q97.9Very high95.7Very high88 Ų8865.8 Ų65.841%0.41133%0.326SS..Hα-helixtrans-59.7-37.4177.2-71.1177.227.100112.4E284 R292E284-Q288 WeakPolarHBondContact O-CB 3.24Å; E284-Q288 VanDerWaalsContact O-CG 3.29Å; E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 2.92Å; Q288-R292 WeakPolarHBondContact O-CB 3.36Å; Q288-R292 VanDerWaalsContact O-CG 3.24Å; Q288-R292 WeakPolarHBondContact O-CG 3.43Å; Q288-R292 PolarHBondContact O-N 3.02Å; Q288-R292 VanDerWaalsContact OE1-NH2 3.09Å
289A97.9Very high95.1Very high3 Ų361.5 Ų61.53%0.02530%0.303CS..Hα-helixtrans-66.5-41.5175.500000112.1L125 P258 Q285 L286 V287 L293L125-A289 HydrophobicContact CD1-CB 4.16Å; L125-A289 HydrophobicContact CD2-CB 4.08Å; P258-A289 HydrophobicContact CB-CB 4.08Å; P258-A289 HydrophobicContact CG-CB 4.06Å; Q285-A289 WeakPolarHBondContact O-CB 3.18Å; Q285-A289 PolarHBondContact O-N 3.22Å; Q285-A289 VanDerWaalsContact O-N 3.1Å; L286-A289 PolarHBondContact O-N 2.88Å; V287-A289 VanDerWaalsContact C-N 3.27Å; V287-A289 PolarHBondContact O-N 2.82Å; A289-L293 PolarHBondContact O-N 3.07Å
290A97.5Very high94.1Very high0 Ų068 Ų680%033%0.327CS..Hα-helixtrans-63.7-43.717600000111.2L125 I129 L286 V287 L293 N294 A295L125-A290 HydrophobicContact CB-CB 4.02Å; L125-A290 HydrophobicContact CD1-CB 4.38Å; I129-A290 HydrophobicContact CD1-CB 4.23Å; L286-A290 PolarHBondContact O-N 2.59Å; V287-A290 WeakPolarHBondContact O-CB 3.43Å; V287-A290 PolarHBondContact O-N 2.92Å; V287-A290 VanDerWaalsContact O-N 3.1Å; A290-L293 PolarHBondContact O-N 2.98Å; A290-N294 PolarHBondContact O-N 2.69Å; A290-A295 HydrophobicContact CB-CB 4.11Å; A290-A295 VanDerWaalsContact O-CB 3.29Å; A290-A295 WeakPolarHBondContact O-CB 3.22Å; A290-A295 PolarHBondContact O-N 2.72Å
291D96.6Very high93.2Very high81 Ų8163.7 Ų63.743%0.43330%0.304SS..Hα-helixtrans-68.1-38.4-178.5-67.4-14000111.9R126 V287 L293 N294R126-D291 IonicContact NH2-OD1 3.32Å; R126-D291 PolarHBondContact NH2-OD1 2.79Å; V287-D291 VanDerWaalsContact O-CG 3.29Å; V287-D291 PolarHBondContact O-N 2.91Å; D291-L293 PolarHBondContact O-N 2.86Å; D291-N294 PolarHBondContact O-N 3.16Å
292R96.6Very high91.3Very high170 Ų17062.6 Ų62.664%0.64230%0.302SS*.Hα-helixtrans-61.2-27.8173.2-75.2173.3-165.4142.610113.3Q288 N294Q288-R292 WeakPolarHBondContact O-CB 3.36Å; Q288-R292 VanDerWaalsContact O-CG 3.24Å; Q288-R292 WeakPolarHBondContact O-CG 3.43Å; Q288-R292 PolarHBondContact O-N 3.02Å; Q288-R292 VanDerWaalsContact OE1-NH2 3.09Å; R292-N294 VanDerWaalsContact C-N 3.31Å
293L94.7Very high89.5Confident85 Ų8571 Ų7145%0.44534%0.341SS..THydrogen-bonded Turntrans-87.3-0.2175.1-67175.3000113L121 L125 A289 A290 D291 A295L121-L293 HydrophobicContact CB-CD1 4.31Å; L121-L293 HydrophobicContact CD2-CD1 3.49Å; L121-L293 VanDerWaalsContact CD2-CD1 3.49Å; L121-L293 HydrophobicContact CG-CD1 3.63Å; L125-L293 HydrophobicContact CD1-CD1 3.53Å; A289-L293 PolarHBondContact O-N 3.07Å; A290-L293 PolarHBondContact O-N 2.98Å; D291-L293 PolarHBondContact O-N 2.86Å; L293-A295 PolarHBondContact O-N 3.27Å
294N94.7Very high88Confident145 Ų14571.3 Ų71.378%0.77534%0.342SS*.THydrogen-bonded Turntrans51.936.8-168.4-57.7-69.8000112A290 D291 R292A290-N294 PolarHBondContact O-N 2.69Å; D291-N294 PolarHBondContact O-N 3.16Å; R292-N294 VanDerWaalsContact C-N 3.31Å
295A92.9Very high86.6Confident11 Ų1170.4 Ų70.49%0.09134%0.341CS..  trans-64.8132.6-179.200000110R126 A290 L293R126-A295 PolarHBondContact NH2-O 3.1Å; A290-A295 HydrophobicContact CB-CB 4.11Å; A290-A295 VanDerWaalsContact O-CB 3.29Å; A290-A295 WeakPolarHBondContact O-CB 3.22Å; A290-A295 PolarHBondContact O-N 2.72Å; L293-A295 PolarHBondContact O-N 3.27Å
296P88.5Confident85.3Confident28 Ų2870.2 Ų70.218%0.18234%0.341CS..  trans-56.1149.9176.929-38.9000110.5R126 R300R126-P296 WeakPolarHBondContact CG-O 3.17Å; R126-P296 PolarHBondContact NE-O 2.85Å; P296-R300 HydrophobicContact CB-CG 4.19Å; P296-R300 HydrophobicContact CG-CG 3.66Å
297K88.3Confident83.7Confident182 Ų18275 Ų7579%0.79138%0.38SS*.SBendtrans-70.8-31.6175.9-70.8-169.4176.4-172.90112.7
298S86.7Confident82.2Confident45 Ų4575.8 Ų75.832%0.31539%0.388SS..SBendtrans-74151.2175.257.50000111.7R300S298-R300 PolarHBondContact O-N 3.12Å; S298-R300 VanDerWaalsContact O-N 3.13Å
299L82.8Confident80.8Confident1 Ų172.1 Ų72.11%0.00537%0.372CS..  trans-73.899.9167.1-61.9175.2000105.7R126 I127 I155 D162 I164 L301R126-L299 HydrophobicContact CB-CD2 3.76Å; I127-L299 HydrophobicContact CG1-CD2 3.99Å; I155-L299 HydrophobicContact CG2-CD1 4.25Å; D162-L299 VanDerWaalsContact O-CD1 3.24Å; D162-L299 WeakPolarHBondContact O-CD1 3.49Å; D162-L299 PolarHBondContact OD1-N 3.36Å; I164-L299 HydrophobicContact CD1-CD1 3.82Å; I164-L299 HydrophobicContact CD1-CD2 4.24Å; I164-L299 HydrophobicContact CG1-CD1 3.6Å; L299-L301 HydrophobicContact CB-CD1 3.99Å; L299-L301 HydrophobicContact CB-CG 4.03Å; L299-L301 HydrophobicContact CD1-CD1 4.38Å; L299-L301 PolarHBondContact O-N 3.33Å
300R76.9Confident79.5Confident154 Ų15479.1 Ų79.158%0.58140%0.401SS*.THydrogen-bonded Turntrans-70.252.3177.6-72.7-166.7-179.7173.94.4112.4P296 S298 D302P296-R300 HydrophobicContact CB-CG 4.19Å; P296-R300 HydrophobicContact CG-CG 3.66Å; S298-R300 PolarHBondContact O-N 3.12Å; S298-R300 VanDerWaalsContact O-N 3.13Å; R300-D302 VanDerWaalsContact C-N 3.29Å
301L78.8Confident78.4Confident5 Ų580.3 Ų80.33%0.02641%0.409CS..THydrogen-bonded Turntrans-85.7-10.6174-57.4174.6000111.1L107 I110 F119 T123 I155 L299 E303 I304 I306L107-L301 HydrophobicContact CD2-CD1 4.45Å; I110-L301 HydrophobicContact CD1-CD1 4.06Å; I110-L301 HydrophobicContact CG2-CB 4.29Å; I110-L301 HydrophobicContact CG2-CD1 4.45Å; I110-L301 HydrophobicContact CG2-CD2 4.05Å; I110-L301 HydrophobicContact CG2-CG 4.49Å; F119-L301 HydrophobicContact CD1-CD2 4.08Å; F119-L301 HydrophobicContact CE1-CD2 3.76Å; F119-L301 HydrophobicContact CE2-CD2 4.3Å; F119-L301 HydrophobicContact CG-CD2 4.49Å; F119-L301 HydrophobicContact CZ-CD2 3.87Å; T123-L301 HydrophobicContact CG2-CD2 3.71Å; T123-L301 HydrophobicContact CG2-CG 4.44Å; I155-L301 HydrophobicContact CG2-CD1 3.77Å; L299-L301 HydrophobicContact CB-CD1 3.99Å; L299-L301 HydrophobicContact CB-CG 4.03Å; L299-L301 HydrophobicContact CD1-CD1 4.38Å; L299-L301 PolarHBondContact O-N 3.33Å; L301-E303 PolarHBondContact O-N 3.2Å; L301-E303 VanDerWaalsContact O-N 3.12Å; L301-I304 WeakPolarHBondContact O-CB 3.19Å; L301-I304 PolarHBondContact O-N 2.96Å; L301-I306 HydrophobicContact CB-CD1 3.87Å
302D58.4Low77.2Confident88 Ų8876.6 Ų76.647%0.47139%0.39SS..THydrogen-bonded Turntrans-59-19.8-175.6-69.8-26.7000114.9K161 R300 I304K161-D302 IonicContact NZ-OD1 3.99Å; K161-D302 PolarHBondContact NZ-OD1 2.69Å; K161-D302 IonicContact NZ-OD2 3.97Å; K161-D302 PolarHBondContact NZ-OD2 3.37Å; R300-D302 VanDerWaalsContact C-N 3.29Å; D302-I304 PolarHBondContact O-N 3.48Å
303E59.6Low75.8Confident186 Ų18668.9 Ų68.987%0.86936%0.362SS*.THydrogen-bonded Turntrans-68.1-15.1174.3-66.1-174.4-178.200112.5L301L301-E303 PolarHBondContact O-N 3.2Å; L301-E303 VanDerWaalsContact O-N 3.12Å
304I67.1Low74.1Confident23 Ų2365 Ų6512%0.11834%0.342CS..SBendtrans-92.8132.3173.5-59.8164000106.7I110 R113 A114 F119 L301 D302 I306 I309I110-I304 HydrophobicContact CG2-CD1 3.43Å; I110-I304 VanDerWaalsContact CG2-CD1 3.43Å; R113-I304 HydrophobicContact CB-CG2 3.63Å; R113-I304 HydrophobicContact CG-CG2 4.38Å; A114-I304 HydrophobicContact CB-CD1 4.25Å; F119-I304 HydrophobicContact CE1-CD1 4.23Å; L301-I304 WeakPolarHBondContact O-CB 3.19Å; L301-I304 PolarHBondContact O-N 2.96Å; D302-I304 PolarHBondContact O-N 3.48Å; I304-I306 HydrophobicContact CB-CG1 4.39Å; I304-I306 HydrophobicContact CG2-CG1 4.49Å; I304-I306 WeakPolarHBondContact O-CG1 3.48Å; I304-I306 PolarHBondContact O-N 3.34Å; I304-I309 HydrophobicContact CG2-CD1 4.01Å
305D69.4Low72.4Confident98 Ų9861.5 Ų61.552%0.52432%0.318SS..  trans-66.185.3169.2173.821.4000109.3R113 A307 S308 I309R113-D305 PolarHBondContact NH1-O 3.1Å; D305-A307 VanDerWaalsContact C-N 3.31Å; D305-A307 PolarHBondContact OD1-N 2.8Å; D305-S308 PolarHBondContact O-OG 3.14Å; D305-S308 PolarHBondContact OD1-N 2.94Å; D305-S308 WeakPolarHBondContact OD2-CB 3.36Å; D305-S308 PolarHBondContact OD2-OG 2.82Å; D305-I309 WeakPolarHBondContact O-CG1 3.14Å
306I69.9Low70.4Confident35 Ų3561.9 Ų61.918%0.17932%0.321CS..  trans-69.7-33.3-179.1-70.3170.4000110.1P105 I155 L301 I304 S308 I309P105-I306 HydrophobicContact CG-CG2 3.77Å; I155-I306 HydrophobicContact CD1-CD1 3.75Å; I155-I306 HydrophobicContact CD1-CG1 4.39Å; I155-I306 HydrophobicContact CD1-CG2 3.64Å; L301-I306 HydrophobicContact CB-CD1 3.87Å; I304-I306 HydrophobicContact CB-CG1 4.39Å; I304-I306 HydrophobicContact CG2-CG1 4.49Å; I304-I306 WeakPolarHBondContact O-CG1 3.48Å; I304-I306 PolarHBondContact O-N 3.34Å; I306-S308 PolarHBondContact O-N 2.75Å; I306-I309 HydrophobicContact CG1-CD1 4.42Å; I306-I309 WeakPolarHBondContact O-CB 3.35Å; I306-I309 WeakPolarHBondContact O-CG1 3.31Å; I306-I309 PolarHBondContact O-N 3.01Å
307A64Low68.4Low100 Ų10061.5 Ų61.583%0.82632%0.32SS*.THydrogen-bonded Turntrans-62.5-28.7-175.800000112.5D305 I309D305-A307 VanDerWaalsContact C-N 3.31Å; D305-A307 PolarHBondContact OD1-N 2.8Å; A307-I309 VanDerWaalsContact C-N 3.34Å
308S67.6Low66Low64 Ų6456.2 Ų56.245%0.44830%0.304SS..THydrogen-bonded Turntrans-87.66.1174.367.40000114.6R113 D305 I306R113-S308 PolarHBondContact NH1-OG 2.74Å; R113-S308 PolarHBondContact NH2-O 3.29Å; D305-S308 PolarHBondContact O-OG 3.14Å; D305-S308 PolarHBondContact OD1-N 2.94Å; D305-S308 WeakPolarHBondContact OD2-CB 3.36Å; D305-S308 PolarHBondContact OD2-OG 2.82Å; I306-S308 PolarHBondContact O-N 2.75Å
309I68.6Low63.6Low11 Ų1158.7 Ų58.76%0.05631%0.314CS..SBendtrans-95.5124.7179.3-48.5178.2000110.6P105 T109 I110 R113 I304 D305 I306 A307 C311P105-I309 HydrophobicContact CB-CB 3.76Å; P105-I309 HydrophobicContact CB-CD1 4.27Å; P105-I309 HydrophobicContact CB-CG2 3.34Å; P105-I309 HydrophobicContact CG-CB 3.85Å; P105-I309 HydrophobicContact CG-CD1 3.97Å; P105-I309 HydrophobicContact CG-CG1 4.41Å; P105-I309 HydrophobicContact CG-CG2 4Å; T109-I309 HydrophobicContact CG2-CG2 3.25Å; I110-I309 HydrophobicContact CG1-CD1 4.32Å; R113-I309 VanDerWaalsContact NH1-CG1 3.25Å; I304-I309 HydrophobicContact CG2-CD1 4.01Å; D305-I309 WeakPolarHBondContact O-CG1 3.14Å; I306-I309 HydrophobicContact CG1-CD1 4.42Å; I306-I309 WeakPolarHBondContact O-CB 3.35Å; I306-I309 WeakPolarHBondContact O-CG1 3.31Å; I306-I309 PolarHBondContact O-N 3.01Å; A307-I309 VanDerWaalsContact C-N 3.34Å; I309-C311 PolarHBondContact O-N 3.11Å
310K71Confident61.4Low149 Ų14967.6 Ų67.665%0.64835%0.347SS*.PPolyproline II helixtrans-55.4132.1171.9-72.9-171.1176.3-170.80111.9R315K310-R315 PolarHBondContact O-NH2 3.02Å; K310-R315 VanDerWaalsContact O-NH2 3.15Å
311C72.8Confident59.4Low25 Ų2570 Ų7017%0.16936%0.356CS..PPolyproline II helixtrans-51.8144.8178.5-680000113.8M102 V103 I309 M314M102-C311 HydrophobicContact CE-CB 4.05Å; V103-C311 WeakPolarHBondContact O-CB 3.43Å; V103-C311 PolarHBondContact O-SG 3.4Å; I309-C311 PolarHBondContact O-N 3.11Å; C311-M314 HydrophobicContact CB-CG 4.25Å
312A72Confident57.2Low3 Ų371.9 Ų71.93%0.02537%0.372CS..G310 helixtrans-76.4-32.318000000113.2V103 G104 D106 A154 V167 M314 R315V103-A312 HydrophobicContact CG2-CB 4.38Å; G104-A312 WeakPolarHBondContact O-CB 3.41Å; G104-A312 PolarHBondContact O-N 2.78Å; D106-A312 HydrophobicContact CB-CB 3.81Å; A154-A312 HydrophobicContact CB-CB 3.41Å; A154-A312 VanDerWaalsContact CB-CB 3.41Å; V167-A312 HydrophobicContact CG1-CB 4.46Å; A312-M314 PolarHBondContact O-N 2.73Å; A312-R315 PolarHBondContact O-N 2.98Å
313S67Low56Low8 Ų877.4 Ų77.46%0.05639%0.392CS..G310 helixtrans-53.8-21.1175.4-48.60000112.5K41 V103K41-S313 WeakPolarHBondContact CD-O 3.1Å; V103-S313 WeakPolarHBondContact CG2-OG 3.44Å; V103-S313 PolarHBondContact N-OG 2.82Å
314M58.3Low55Low4 Ų473.6 Ų73.62%0.0237%0.371CS..G310 helixtrans-96.9-3.4-175.8-64.2-47.9-50.100114.5V33 D34 K41 F42 Q43 A54 M102 C311 A312V33-M314 HydrophobicContact CB-CB 3.92Å; V33-M314 HydrophobicContact CB-CE 3.41Å; V33-M314 VanDerWaalsContact CB-CE 3.41Å; V33-M314 HydrophobicContact CB-CG 4.49Å; V33-M314 HydrophobicContact CG1-CB 3.66Å; V33-M314 HydrophobicContact CG1-CE 4.33Å; V33-M314 HydrophobicContact CG2-CB 4.35Å; V33-M314 HydrophobicContact CG2-CE 3.39Å; V33-M314 HydrophobicContact CG2-CG 4.41Å; D34-M314 WeakPolarHBondContact CB-O 3.28Å; K41-M314 HydrophobicContact CB-CE 4.38Å; K41-M314 WeakPolarHBondContact O-CE 3.42Å; F42-M314 VanDerWaalsContact CA-CE 3.49Å; Q43-M314 HydrophobicContact CB-CE 4.09Å; Q43-M314 HydrophobicContact CB-SD 3.98Å; A54-M314 HydrophobicContact CB-SD 4.1Å; M102-M314 HydrophobicContact CE-CG 4.49Å; C311-M314 HydrophobicContact CB-CG 4.25Å; A312-M314 PolarHBondContact O-N 2.73Å
315R59.1Low53.4Low71 Ų7180.3 Ų80.327%0.26841%0.407SS..PPolyproline II helixtrans-102.3140-173.8-66.7-176.4-172.7-158.47114D34 K41 D106 T109 K310 A312D34-R315 VanDerWaalsContact OD2-CA 3.28Å; D34-R315 WeakPolarHBondContact OD2-CA 3.41Å; K41-R315 VanDerWaalsContact CD-O 3.29Å; K41-R315 WeakPolarHBondContact CD-O 3.28Å; K41-R315 VanDerWaalsContact CE-O 3.28Å; K41-R315 WeakPolarHBondContact CE-O 3.15Å; K41-R315 PolarHBondContact NZ-O 2.9Å; D106-R315 WeakPolarHBondContact OD2-CD 3.27Å; D106-R315 IonicContact OD2-CZ 2.75Å; D106-R315 IonicContact OD2-NE 3.84Å; D106-R315 IonicContact OD2-NH1 3.23Å; T109-R315 PolarHBondContact OG1-NH1 2.97Å; K310-R315 PolarHBondContact O-NH2 3.02Å; K310-R315 VanDerWaalsContact O-NH2 3.15Å; A312-R315 PolarHBondContact O-N 2.98Å
316A52.1Low51.9Low20 Ų2081.5 Ų81.517%0.16542%0.418CS..PPolyproline II helixtrans-75.1138.5170.300000111.2D34D34-A316 HydrophobicContact CB-CB 4.26Å; D34-A316 VanDerWaalsContact CG-CB 3.5Å; D34-A316 VanDerWaalsContact CG-N 3.26Å; D34-A316 WeakPolarHBondContact OD1-CB 3.34Å; D34-A316 PolarHBondContact OD2-N 3.35Å
317A45.9Very low50.3Low20 Ų2089.2 Ų89.217%0.16545%0.45CS..PPolyproline II helixtrans-59.9129.817100000110.1L319A317-L319 PolarHBondContact O-N 2.84Å
318P39.2Very low48.9Very low70 Ų7094.2 Ų94.246%0.45545%0.453SS..PPolyproline II helixtrans-63.5129.6177.96.9-8.6000110.9E151 R320E151-P318 HydrophobicContact CG-CG 4.33Å; P318-R320 PolarHBondContact O-N 3.1Å
319L34.2Very low47.5Very low98 Ų98102.8 Ų102.851%0.51348%0.476SS..PPolyproline II helixtrans-59.4120.2169.6-99.8-179.1000111.5I37 A317I37-L319 HydrophobicContact CB-CD2 4.09Å; I37-L319 HydrophobicContact CB-CG 4.22Å; I37-L319 HydrophobicContact CD1-CB 4.48Å; I37-L319 HydrophobicContact CD1-CD1 3.15Å; I37-L319 HydrophobicContact CD1-CD2 4.01Å; I37-L319 HydrophobicContact CD1-CG 3.25Å; I37-L319 HydrophobicContact CG1-CD1 3.46Å; I37-L319 VanDerWaalsContact CG1-CD1 3.46Å; I37-L319 HydrophobicContact CG1-CD2 3.56Å; I37-L319 HydrophobicContact CG1-CG 3.41Å; I37-L319 VanDerWaalsContact CG1-CG 3.41Å; I37-L319 HydrophobicContact CG2-CD2 4.3Å; A317-L319 PolarHBondContact O-N 2.84Å
320R38Very low46.1Very low188 Ų188107.1 Ų107.171%0.70951%0.507SS*.  trans-138.680147.6-71.3-165.3-179.8-147.85.5110.2P318 A322P318-R320 PolarHBondContact O-N 3.1Å; R320-A322 PolarHBondContact O-N 2.96Å
321R34.4Very low44.4Very low203 Ų203110.1 Ų110.177%0.76652%0.52SS*.  trans-67.5112152.6-107.4-179.1170.7176.2-4.2106.6K323R321-K323 PolarHBondContact O-N 3.06Å
322A32.2Very low42.8Very low45 Ų45114 Ų11437%0.37255%0.547SS..  trans-64.2119.6157.100000107I238 R320 Y324I238-A322 HydrophobicContact CD1-CB 3.15Å; I238-A322 HydrophobicContact CG1-CB 3.81Å; R320-A322 PolarHBondContact O-N 2.96Å; A322-Y324 VanDerWaalsContact C-N 3.34Å; A322-Y324 PolarHBondContact O-N 2.68Å
323K33.6Very low41.3Very low204 Ų204124 Ų12489%0.88761%0.608SS**  trans-65.299.2169.4-71.7-177.9178.1179.20107.1R321 N325R321-K323 PolarHBondContact O-N 3.06Å; K323-N325 PolarHBondContact O-N 3.2Å
324Y38.4Very low40Very low106 Ų106129.9 Ų129.942%0.41664%0.636SS.*  trans-67.9116.1161.1-93.2-82.3000107.5I238 A322 T326I238-Y324 HydrophobicContact CD1-CE2 4.3Å; A322-Y324 VanDerWaalsContact C-N 3.34Å; A322-Y324 PolarHBondContact O-N 2.68Å; Y324-T326 PolarHBondContact O-N 3.08Å
325N33.3Very low39.1Very low165 Ų165136.5 Ų136.588%0.88267%0.668SS**  trans-65.583.1159-100.7-21.7000107.2K323 K327K323-N325 PolarHBondContact O-N 3.2Å; N325-K327 VanDerWaalsContact C-N 3.34Å; N325-K327 PolarHBondContact O-N 3.3Å
326T37.6Very low37.9Very low122 Ų122140.1 Ų140.175%0.74869%0.691SS**  trans-70.598.2162.442.60000106.9Y324 K328Y324-T326 PolarHBondContact O-N 3.08Å; T326-K328 PolarHBondContact O-N 3.31Å
327K36.5Very low37.1Very low197 Ų197147.2 Ų147.286%0.85772%0.721SS**  trans-51.1116.2157.3-85-176.2174.5179.90106.3N325 R329N325-K327 VanDerWaalsContact C-N 3.34Å; N325-K327 PolarHBondContact O-N 3.3Å; K327-R329 PolarHBondContact O-N 2.78Å
328K35.9Very low36.6Very low206 Ų206155.1 Ų155.190%0.89676%0.756SS**  trans-47.3106164.6-86-179.9172.6178.40107.3T326 S330T326-K328 PolarHBondContact O-N 3.31Å; K328-S330 PolarHBondContact O-N 3.45Å
329R38.2Very low36.4Very low243 Ų243160.8 Ų160.892%0.91778%0.776SS**  trans-71.6108.6158.2-100.5-178.7158.8179.6-6.2105.6K327 K331K327-R329 PolarHBondContact O-N 2.78Å; R329-K331 PolarHBondContact O-N 2.85Å
330S37.4Very low36.5Very low103 Ų103165.3 Ų165.372%0.7280%0.795SS**PPolyproline II helixtrans-48.9129.2162.343.40000108.9K328 S332K328-S330 PolarHBondContact O-N 3.45Å; S330-S332 PolarHBondContact O-N 3.44Å
331K36.4Very low36.4Very low211 Ų211163.5 Ų163.592%0.91780%0.802SS**PPolyproline II helixtrans-59.5117.6160.2-77.1-176.4172.7-176.40106.9R329R329-K331 PolarHBondContact O-N 2.85Å
332S39.8Very low36.6Very low106 Ų106160.3 Ų160.374%0.74181%0.805SS**PPolyproline II helixtrans-95.8121.1163.953.50000107.9S330S330-S332 PolarHBondContact O-N 3.44Å
333V39.6Very low37Very low215 Ų215170.7 Ų170.7100%1.30384%0.844SS**  trans76.30176.9-160.50000115.6

Retrieved 333 of 333 residues in 680.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).