G4VI20_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VI20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35Very low48Very low206 Ų206118.3 Ų118.3100%1.01561%0.607SS**  0112.20-90.7-178.4178.200105.9I3M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 HydrophobicContact CB-CG1 4.33Å; M1-I3 PolarHBondContact O-N 2.99Å
2D32.2Very low50.7Low151 Ų151117.4 Ų117.481%0.80762%0.619SS**  trans-68.189.4176.7-61.4-47.8000108.6F4D2-F4 PolarHBondContact O-N 2.6Å
3I44.5Very low53.7Low56 Ų56112.7 Ų112.729%0.28759%0.588SS.*  trans-86.930.4167.5-43.4176.9000108.5M1 V5 M58M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 HydrophobicContact CB-CG1 4.33Å; M1-I3 PolarHBondContact O-N 2.99Å; I3-V5 PolarHBondContact O-N 2.86Å; I3-M58 HydrophobicContact CG2-CE 4.4Å; I3-M58 HydrophobicContact CG2-SD 4.46Å
4F38.9Very low56.4Low174 Ų174106.1 Ų106.176%0.76355%0.552SS**  trans-93.885.3170.7-65.8-71.6000106.8D2D2-F4 PolarHBondContact O-N 2.6Å
5V53Low58.7Low47 Ų47104.1 Ų104.129%0.28554%0.539SS..  trans-78.5125.7168.6-167.60000107.9I3 E7 F84I3-V5 PolarHBondContact O-N 2.86Å; V5-E7 PolarHBondContact O-N 3.35Å; V5-E7 VanDerWaalsContact O-N 3.11Å; V5-F84 HydrophobicContact CG1-CB 3.7Å
6D45.8Very low60.6Low93 Ų93105.8 Ų105.850%0.49754%0.54SS..  trans-38.4110.1-179.8-177.911.5000112.7T8D6-T8 VanDerWaalsContact C-N 3.27Å; D6-T8 WeakPolarHBondContact OD1-CB 3.49Å; D6-T8 PolarHBondContact OD1-N 3.37Å; D6-T8 PolarHBondContact OD1-OG1 3.11Å
7E49.8Very low62.3Low137 Ų137100.9 Ų100.964%0.6452%0.517SS*.  trans-80.1-6.4176.1-70.6-162.7140.200112.7V5V5-E7 PolarHBondContact O-N 3.35Å; V5-E7 VanDerWaalsContact O-N 3.11Å
8T47.1Very low63.6Low121 Ų12196.1 Ų96.174%0.74249%0.494SS*.SBendtrans-104.4-1.8-157.657.40000116.4D6D6-T8 VanDerWaalsContact C-N 3.27Å; D6-T8 WeakPolarHBondContact OD1-CB 3.49Å; D6-T8 PolarHBondContact OD1-N 3.37Å; D6-T8 PolarHBondContact OD1-OG1 3.11Å
9S52.1Low64.9Low84 Ų8496.1 Ų96.159%0.58749%0.488SS*.SBendtrans-134.2132.1176.2-61.50000112N11S9-N11 PolarHBondContact O-N 3.44Å
10K60.2Low65.9Low187 Ų18794.1 Ų94.181%0.81348%0.478SS*.  trans-54.2114.8168.4-175.3-178.6-179.2-175.70107.6S12K10-S12 PolarHBondContact O-N 3.19Å
11N70Confident66.7Low45 Ų4590.7 Ų90.724%0.24147%0.466CS..  trans-61.6104.8-175.2-170.8-18.3000109.9S9 R13 F84S9-N11 PolarHBondContact O-N 3.44Å; N11-R13 PolarHBondContact O-N 2.97Å; N11-R13 WeakPolarHBondContact OD1-CB 3.37Å; N11-R13 PolarHBondContact OD1-N 3.49Å; N11-F84 HydrophobicContact CB-CD2 4.34Å; N11-F84 HydrophobicContact CB-CE2 4.32Å; N11-F84 WeakPolarHBondContact ND2-CG 3.38Å
12S79.7Confident69Low108 Ų10887.3 Ų87.376%0.75545%0.448SS*.THydrogen-bonded Turntrans-77.3-8.5-17858.60000113.1K10 N34K10-S12 PolarHBondContact O-N 3.19Å; S12-N34 PolarHBondContact O-ND2 3.01Å
13R90.5Very high70.9Confident56 Ų5681.8 Ų81.821%0.21143%0.427CS..THydrogen-bonded Turntrans-70.7-41.2179.2-177.5-179.1174-176.60.1112N11 D33 N34 N35 D82N11-R13 PolarHBondContact O-N 2.97Å; N11-R13 WeakPolarHBondContact OD1-CB 3.37Å; N11-R13 PolarHBondContact OD1-N 3.49Å; R13-D33 VanDerWaalsContact CG-OD1 3.26Å; R13-D33 WeakPolarHBondContact CG-OD1 3.28Å; R13-D33 IonicContact CZ-OD1 3.78Å; R13-D33 IonicContact CZ-OD2 2.91Å; R13-D33 IonicContact NE-OD1 3.43Å; R13-D33 PolarHBondContact NE-OD1 2.88Å; R13-D33 IonicContact NE-OD2 2.82Å; R13-D33 PolarHBondContact NE-OD2 2.72Å; R13-D33 IonicContact NH2-OD1 3.3Å; R13-D33 IonicContact NH2-OD2 3.03Å; R13-D33 PolarHBondContact NH2-OD2 3.18Å; R13-N34 VanDerWaalsContact O-CB 3.27Å; R13-N34 WeakPolarHBondContact O-CB 3.19Å; R13-N34 PolarHBondContact O-N 2.91Å; R13-N34 PolarHBondContact O-ND2 3.27Å; R13-N35 WeakPolarHBondContact CD-ND2 3.37Å; R13-N35 HydrophobicContact CG-CB 4.23Å; R13-D82 IonicContact CZ-OD2 2.81Å; R13-D82 IonicContact NH1-OD2 3.72Å; R13-D82 PolarHBondContact NH1-OD2 2.78Å
14Y91.6Very high72.2Confident21 Ų2186.8 Ų86.88%0.08245%0.449CS..EExtended strand (participates in β ladder)trans-105107.2-172.5-64.4-65000111.7K16 Q32 D33 V41 I43 D82 F84 V93Y14-K16 PolarHBondContact O-N 3.4Å; Y14-Q32 WeakPolarHBondContact CA-O 3.49Å; Y14-D33 HydrophobicContact CD1-CB 4.12Å; Y14-D33 HydrophobicContact CE1-CB 3.78Å; Y14-V41 HydrophobicContact CD1-CG2 3.81Å; Y14-V41 HydrophobicContact CE1-CG2 3.93Å; Y14-I43 HydrophobicContact CD1-CD1 4.25Å; Y14-I43 HydrophobicContact CD2-CD1 4.46Å; Y14-I43 HydrophobicContact CG-CD1 3.9Å; Y14-D82 HydrophobicContact CE2-CB 4.47Å; Y14-D82 WeakPolarHBondContact OH-CB 3.28Å; Y14-D82 PolarHBondContact OH-OD2 2.85Å; Y14-F84 HydrophobicContact CD2-CD1 4.05Å; Y14-F84 AromaticContact CD2-CE1 3.45Å; Y14-F84 HydrophobicContact CD2-CE1 3.45Å; Y14-F84 VanDerWaalsContact CD2-CE1 3.45Å; Y14-F84 HydrophobicContact CD2-CZ 4.02Å; Y14-F84 AromaticContact CE2-CD1 3.92Å; Y14-F84 HydrophobicContact CE2-CD1 3.92Å; Y14-F84 AromaticContact CE2-CE1 3.69Å; Y14-F84 HydrophobicContact CE2-CE1 3.69Å; Y14-F84 HydrophobicContact CG-CE1 4.4Å; Y14-V93 HydrophobicContact CD2-CG2 4.42Å; Y14-V93 HydrophobicContact CE1-CG1 3.74Å; Y14-V93 HydrophobicContact CE1-CG2 4.36Å; Y14-V93 HydrophobicContact CE2-CG2 3.81Å
15E90.3Very high74Confident76 Ų7684 Ų8436%0.35544%0.437SS..EExtended strand (participates in β ladder)trans-86.2108.5174.2-171.8-177.817800109.5V17 A31 Q32 R331E15-V17 PolarHBondContact O-N 3.48Å; E15-A31 CarbonylContact O-C 3.54Å; E15-A31 WeakPolarHBondContact O-CA 3.5Å; E15-A31 WeakPolarHBondContact O-CB 3.39Å; E15-Q32 HydrophobicContact CB-CB 4.48Å; E15-Q32 PolarHBondContact N-O 3.05Å; E15-Q32 PolarHBondContact O-N 3.13Å; E15-R331 IonicContact OE2-NH1 3.96Å; E15-R331 IonicContact OE2-NH2 2.95Å; E15-R331 PolarHBondContact OE2-NH2 3.05Å
16K89.4Confident75.5Confident130 Ų13081.9 Ų81.957%0.56543%0.425SS*.EExtended strand (participates in β ladder)trans-63.4123.9177.8176.8176.9166175.30110.6Y14 F29Y14-K16 PolarHBondContact O-N 3.4Å; K16-F29 HydrophobicContact CD-CD1 3.99Å; K16-F29 HydrophobicContact CD-CE1 4.5Å; K16-F29 HydrophobicContact CD-CG 4.41Å; K16-F29 VanDerWaalsContact NZ-CD1 3.32Å
17V88.4Confident77.5Confident24 Ų2479.6 Ų79.615%0.14541%0.412CS..EExtended strand (participates in β ladder)trans-91.8-61.1177.7176.90000110.5E15 L30 Q32 L40 H327E15-V17 PolarHBondContact O-N 3.48Å; V17-L30 HydrophobicContact CB-CB 4.28Å; V17-L30 HydrophobicContact CB-CD2 4.24Å; V17-L30 HydrophobicContact CB-CG 4.09Å; V17-L30 HydrophobicContact CG1-CD2 4.01Å; V17-L30 HydrophobicContact CG1-CG 4.41Å; V17-L30 PolarHBondContact N-O 3.03Å; V17-Q32 HydrophobicContact CG2-CG 3.87Å; V17-L40 HydrophobicContact CG2-CD2 4.46Å; V17-H327 HydrophobicContact CG1-CB 3.97Å
18C87.3Confident79.5Confident14 Ų1475.1 Ų75.110%0.09539%0.394CS..EExtended strand (participates in β ladder)trans-152.9170.8-177.3700000112.7F29 L30 L323C18-F29 WeakPolarHBondContact O-CA 3.46Å; C18-L30 PolarHBondContact N-O 3.4Å; C18-L30 PolarHBondContact O-N 2.75Å; C18-L30 VanDerWaalsContact SG-CB 3.56Å; C18-L323 HydrophobicContact CB-CB 4.31Å; C18-L323 HydrophobicContact CB-CD1 4.17Å; C18-L323 HydrophobicContact CB-CD2 4.32Å
19Y88Confident81.6Confident96 Ų9670.7 Ų70.738%0.37637%0.365SS..EExtended strand (participates in β ladder)trans-86.1129170.1-179.6-117.9000109.7G21 E22 N27 V28 F29Y19-G21 WeakPolarHBondContact CE2-O 3.33Å; Y19-G21 VanDerWaalsContact OH-C 3.23Å; Y19-G21 PolarHBondContact OH-O 2.91Å; Y19-E22 VanDerWaalsContact OH-CA 3.28Å; Y19-E22 WeakPolarHBondContact OH-CA 3.39Å; Y19-E22 WeakPolarHBondContact OH-CB 3.49Å; Y19-E22 WeakPolarHBondContact OH-CG 3.44Å; Y19-E22 PolarHBondContact OH-N 2.86Å; Y19-E22 VanDerWaalsContact OH-N 3.15Å; Y19-N27 HydrophobicContact CE2-CB 4.16Å; Y19-V28 WeakPolarHBondContact CD2-O 3.16Å; Y19-F29 AromaticContact CD2-CD1 3.75Å; Y19-F29 HydrophobicContact CD2-CD1 3.75Å; Y19-F29 AromaticContact CD2-CE1 3.43Å; Y19-F29 HydrophobicContact CD2-CE1 3.43Å; Y19-F29 VanDerWaalsContact CD2-CE1 3.43Å; Y19-F29 HydrophobicContact CD2-CZ 4.11Å; Y19-F29 HydrophobicContact CE2-CE1 4.12Å; Y19-F29 HydrophobicContact CE2-CZ 4.37Å; Y19-F29 HydrophobicContact CG-CE1 4.37Å
20L85Confident83.5Confident55 Ų5566.7 Ų66.729%0.28834%0.337SS..EExtended strand (participates in β ladder)trans-95.7-38.2179.2-68.5176.9000111.9V28 L30 F96 V320L20-V28 HydrophobicContact CB-CB 4.29Å; L20-V28 HydrophobicContact CB-CG1 4.16Å; L20-V28 HydrophobicContact CD1-CG1 4.06Å; L20-V28 PolarHBondContact N-O 2.88Å; L20-L30 HydrophobicContact CD1-CB 3.95Å; L20-L30 HydrophobicContact CD1-CD1 4.45Å; L20-L30 HydrophobicContact CD2-CB 4.01Å; L20-L30 HydrophobicContact CG-CB 3.89Å; L20-F96 HydrophobicContact CD1-CD2 4.37Å; L20-F96 HydrophobicContact CD1-CE2 4.3Å; L20-V320 HydrophobicContact CD2-CG1 4.17Å; L20-V320 HydrophobicContact CD2-CG2 3.61Å
21G82.8Confident85Confident23 Ų2357.8 Ų57.824%0.23730%0.298CS..EExtended strand (participates in β ladder)trans168.8172.7179.300000115Y19 V28Y19-G21 WeakPolarHBondContact CE2-O 3.33Å; Y19-G21 VanDerWaalsContact OH-C 3.23Å; Y19-G21 PolarHBondContact OH-O 2.91Å; G21-V28 PolarHBondContact N-O 3.41Å; G21-V28 PolarHBondContact O-N 3.13Å
22E81.7Confident86.1Confident135 Ų13557 Ų5763%0.63129%0.293SS*.EExtended strand (participates in β ladder)trans-109.5126.9177.6-148.1169149.600110.5Y19 N27 K47Y19-E22 VanDerWaalsContact OH-CA 3.28Å; Y19-E22 WeakPolarHBondContact OH-CA 3.39Å; Y19-E22 WeakPolarHBondContact OH-CB 3.49Å; Y19-E22 WeakPolarHBondContact OH-CG 3.44Å; Y19-E22 PolarHBondContact OH-N 2.86Å; Y19-E22 VanDerWaalsContact OH-N 3.15Å; E22-N27 WeakPolarHBondContact CG-OD1 3.31Å; E22-K47 WeakPolarHBondContact OE1-CE 3.14Å; E22-K47 IonicContact OE1-NZ 3.75Å; E22-K47 PolarHBondContact OE1-NZ 2.85Å
23G73.9Confident86.8Confident36 Ų3651.9 Ų51.937%0.37126%0.257SS..  trans-100.7170.7163.700000111.5F25 A26 K47G23-F25 PolarHBondContact O-N 3.44Å; G23-A26 WeakPolarHBondContact CA-O 3.48Å; G23-A26 PolarHBondContact N-O 2.92Å; G23-K47 PolarHBondContact O-NZ 2.88Å
24Q71.8Confident86.8Confident161 Ų16152.9 Ų52.975%0.75227%0.267SS*.SBendtrans-55.4-38.1175.3-174.2177.95.400112
25F76.4Confident86.8Confident114 Ų11457.4 Ų57.450%0.529%0.292SS..SBendtrans-114.7-6.2-172.4-54.5-69.9000114.7G23 K47G23-F25 PolarHBondContact O-N 3.44Å; F25-K47 PolarHBondContact O-N 3.44Å
26A84Confident86.8Confident4 Ų459.1 Ų59.13%0.03330%0.296CS..EExtended strand (participates in β ladder)trans-154.8156.3-173.400000112.6G23 K44 K45G23-A26 WeakPolarHBondContact CA-O 3.48Å; G23-A26 PolarHBondContact N-O 2.92Å; A26-K44 HydrophobicContact CB-CD 4.27Å; A26-K44 HydrophobicContact CB-CG 3.46Å; A26-K44 VanDerWaalsContact CB-CG 3.46Å; A26-K45 CarbonylContact C-O 3.6Å; A26-K45 VanDerWaalsContact CA-O 3.23Å; A26-K45 WeakPolarHBondContact CA-O 3.36Å; A26-K45 WeakPolarHBondContact CB-O 3.5Å
27N87.6Confident86.8Confident44 Ų4461.1 Ų61.124%0.23531%0.313CS..EExtended strand (participates in β ladder)trans-103.9135.9167.6-66.6-0.7000108.2Y19 E22 F29 K45 K47Y19-N27 HydrophobicContact CE2-CB 4.16Å; E22-N27 WeakPolarHBondContact CG-OD1 3.31Å; N27-F29 HydrophobicContact CB-CE2 3.64Å; N27-F29 HydrophobicContact CB-CZ 3.81Å; N27-K45 PolarHBondContact N-O 2.82Å; N27-K45 PolarHBondContact O-N 3.1Å; N27-K47 WeakPolarHBondContact OD1-CE 3.42Å
28V91Very high86.8Confident44 Ų4461.1 Ų61.127%0.26732%0.317SS..EExtended strand (participates in β ladder)trans-109.1130.4-178.2-169.40000109.9Y19 L20 G21 A42 I43Y19-V28 WeakPolarHBondContact CD2-O 3.16Å; L20-V28 HydrophobicContact CB-CB 4.29Å; L20-V28 HydrophobicContact CB-CG1 4.16Å; L20-V28 HydrophobicContact CD1-CG1 4.06Å; L20-V28 PolarHBondContact N-O 2.88Å; G21-V28 PolarHBondContact N-O 3.41Å; G21-V28 PolarHBondContact O-N 3.13Å; V28-A42 HydrophobicContact CG1-CB 4.49Å; V28-I43 WeakPolarHBondContact CA-O 3.23Å
29F91.6Very high87Confident28 Ų2864.3 Ų64.312%0.12333%0.331CS..EExtended strand (participates in β ladder)trans-123.9145-179.8-57.4-80.9000110.5K16 C18 Y19 N27 A42 I43 K45K16-F29 HydrophobicContact CD-CD1 3.99Å; K16-F29 HydrophobicContact CD-CE1 4.5Å; K16-F29 HydrophobicContact CD-CG 4.41Å; K16-F29 VanDerWaalsContact NZ-CD1 3.32Å; C18-F29 WeakPolarHBondContact O-CA 3.46Å; Y19-F29 AromaticContact CD2-CD1 3.75Å; Y19-F29 HydrophobicContact CD2-CD1 3.75Å; Y19-F29 AromaticContact CD2-CE1 3.43Å; Y19-F29 HydrophobicContact CD2-CE1 3.43Å; Y19-F29 VanDerWaalsContact CD2-CE1 3.43Å; Y19-F29 HydrophobicContact CD2-CZ 4.11Å; Y19-F29 HydrophobicContact CE2-CE1 4.12Å; Y19-F29 HydrophobicContact CE2-CZ 4.37Å; Y19-F29 HydrophobicContact CG-CE1 4.37Å; N27-F29 HydrophobicContact CB-CE2 3.64Å; N27-F29 HydrophobicContact CB-CZ 3.81Å; F29-A42 CarbonylContact O-C 3.46Å; F29-A42 WeakPolarHBondContact O-CA 3.42Å; F29-I43 PolarHBondContact N-O 2.88Å; F29-I43 PolarHBondContact O-N 3.3Å; F29-K45 HydrophobicContact CD2-CB 4.3Å; F29-K45 HydrophobicContact CE2-CB 3.92Å; F29-K45 HydrophobicContact CE2-CD 4.32Å
30L92.1Very high87.3Confident0 Ų061.9 Ų61.90%032%0.324CS..EExtended strand (participates in β ladder)trans-84.8135165-173.762.5000108.2V17 C18 L20 L40 F96 V320 L324V17-L30 HydrophobicContact CB-CB 4.28Å; V17-L30 HydrophobicContact CB-CD2 4.24Å; V17-L30 HydrophobicContact CB-CG 4.09Å; V17-L30 HydrophobicContact CG1-CD2 4.01Å; V17-L30 HydrophobicContact CG1-CG 4.41Å; V17-L30 PolarHBondContact N-O 3.03Å; C18-L30 PolarHBondContact N-O 3.4Å; C18-L30 PolarHBondContact O-N 2.75Å; C18-L30 VanDerWaalsContact SG-CB 3.56Å; L20-L30 HydrophobicContact CD1-CB 3.95Å; L20-L30 HydrophobicContact CD1-CD1 4.45Å; L20-L30 HydrophobicContact CD2-CB 4.01Å; L20-L30 HydrophobicContact CG-CB 3.89Å; L30-L40 HydrophobicContact CD1-CB 4.21Å; L30-L40 HydrophobicContact CD1-CD2 4.17Å; L30-L40 HydrophobicContact CD2-CD2 4.41Å; L30-L40 HydrophobicContact CG-CD2 4.23Å; L30-F96 HydrophobicContact CD1-CB 4.2Å; L30-F96 HydrophobicContact CD1-CD1 4.42Å; L30-F96 HydrophobicContact CD1-CD2 3.47Å; L30-F96 VanDerWaalsContact CD1-CD2 3.47Å; L30-F96 HydrophobicContact CD1-CE2 3.95Å; L30-F96 HydrophobicContact CD1-CG 3.75Å; L30-V320 HydrophobicContact CD2-CG1 4.19Å; L30-L324 HydrophobicContact CD2-CD2 3.69Å; L30-L324 HydrophobicContact CD2-CG 4.12Å
31A92.8Very high87.7Confident0 Ų059.3 Ų59.30%031%0.31CS..EExtended strand (participates in β ladder)trans-140.3163.3174.600000111.2E15 L40 V41 I43E15-A31 CarbonylContact O-C 3.54Å; E15-A31 WeakPolarHBondContact O-CA 3.5Å; E15-A31 WeakPolarHBondContact O-CB 3.39Å; A31-L40 WeakPolarHBondContact O-CA 3.26Å; A31-V41 HydrophobicContact CB-CG2 3.99Å; A31-V41 PolarHBondContact N-O 2.82Å; A31-V41 WeakPolarHBondContact O-CG2 3.27Å; A31-V41 PolarHBondContact O-N 3.18Å; A31-I43 HydrophobicContact CB-CD1 3.51Å; A31-I43 HydrophobicContact CB-CG1 4.05Å
32Q93.1Very high88.2Confident29 Ų2958.9 Ų58.914%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-100.6135.1166.7-71.9-178.2-8.600109.9Y14 E15 V17 L40 R331Y14-Q32 WeakPolarHBondContact CA-O 3.49Å; E15-Q32 HydrophobicContact CB-CB 4.48Å; E15-Q32 PolarHBondContact N-O 3.05Å; E15-Q32 PolarHBondContact O-N 3.13Å; V17-Q32 HydrophobicContact CG2-CG 3.87Å; Q32-L40 HydrophobicContact CG-CD2 3.81Å; Q32-R331 VanDerWaalsContact CD-NH1 3.27Å; Q32-R331 VanDerWaalsContact NE2-NH1 3.17Å
33D93.7Very high88.8Confident0 Ų053.1 Ų53.10%028%0.278CS..EExtended strand (participates in β ladder)trans-88.2104171-173-10.4000109.9R13 Y14 N35 R36 G38 Q39 V41R13-D33 VanDerWaalsContact CG-OD1 3.26Å; R13-D33 WeakPolarHBondContact CG-OD1 3.28Å; R13-D33 IonicContact CZ-OD1 3.78Å; R13-D33 IonicContact CZ-OD2 2.91Å; R13-D33 IonicContact NE-OD1 3.43Å; R13-D33 PolarHBondContact NE-OD1 2.88Å; R13-D33 IonicContact NE-OD2 2.82Å; R13-D33 PolarHBondContact NE-OD2 2.72Å; R13-D33 IonicContact NH2-OD1 3.3Å; R13-D33 IonicContact NH2-OD2 3.03Å; R13-D33 PolarHBondContact NH2-OD2 3.18Å; Y14-D33 HydrophobicContact CD1-CB 4.12Å; Y14-D33 HydrophobicContact CE1-CB 3.78Å; D33-N35 PolarHBondContact O-N 3.42Å; D33-N35 WeakPolarHBondContact OD1-CB 3.48Å; D33-N35 PolarHBondContact OD1-N 3.49Å; D33-R36 HydrophobicContact CB-CB 4.14Å; D33-R36 CarbonylContact O-C 3.59Å; D33-R36 PolarHBondContact O-N 3.13Å; D33-R36 WeakPolarHBondContact OD2-CD 3.39Å; D33-G38 WeakPolarHBondContact O-CA 3.41Å; D33-G38 PolarHBondContact O-N 3.43Å; D33-Q39 PolarHBondContact N-O 3.29Å; D33-V41 HydrophobicContact CB-CG1 4.12Å
34N91.2Very high89.6Confident76 Ų7653 Ų5341%0.40627%0.267SS..G310 helixtrans-63.4-22.8-179.5-67.6-29.6000112.8S12 R13 R36S12-N34 PolarHBondContact O-ND2 3.01Å; R13-N34 VanDerWaalsContact O-CB 3.27Å; R13-N34 WeakPolarHBondContact O-CB 3.19Å; R13-N34 PolarHBondContact O-N 2.91Å; R13-N34 PolarHBondContact O-ND2 3.27Å; N34-R36 VanDerWaalsContact C-N 3.32Å
35N91.9Very high90.4Very high117 Ų11747.4 Ų47.463%0.62624%0.241SC*.G310 helixtrans-82.7-11.5176.4-69.1-1.5000112.7R13 D33R13-N35 WeakPolarHBondContact CD-ND2 3.37Å; R13-N35 HydrophobicContact CG-CB 4.23Å; D33-N35 PolarHBondContact O-N 3.42Å; D33-N35 WeakPolarHBondContact OD1-CB 3.48Å; D33-N35 PolarHBondContact OD1-N 3.49Å
36R89.3Confident90.8Very high112 Ų11242.5 Ų42.542%0.42322%0.22SC..G310 helixtrans-120.347.5-179.9-70.1-174146.9-161.8-0.7111.5D33 N34 G38 Q39D33-R36 HydrophobicContact CB-CB 4.14Å; D33-R36 CarbonylContact O-C 3.59Å; D33-R36 PolarHBondContact O-N 3.13Å; D33-R36 WeakPolarHBondContact OD2-CD 3.39Å; N34-R36 VanDerWaalsContact C-N 3.32Å; R36-G38 PolarHBondContact O-N 2.86Å; R36-G38 VanDerWaalsContact O-N 3.14Å; R36-Q39 HydrophobicContact CB-CB 4.03Å; R36-Q39 VanDerWaalsContact O-CB 3.26Å; R36-Q39 WeakPolarHBondContact O-CB 3.43Å; R36-Q39 PolarHBondContact O-N 3.31Å
37N90.3Very high90.6Very high172 Ų17245.6 Ų45.692%0.9223%0.233SC*.THydrogen-bonded Turntrans53.834177.5-59.9-21.7000113.7Q39N37-Q39 VanDerWaalsContact C-N 3.32Å; N37-Q39 PolarHBondContact O-N 2.99Å
38G87.8Confident89.7Confident23 Ų2346.5 Ų46.524%0.23725%0.246CC..THydrogen-bonded Turntrans73.619.7-179.100000114.3D33 R36 L40D33-G38 WeakPolarHBondContact O-CA 3.41Å; D33-G38 PolarHBondContact O-N 3.43Å; R36-G38 PolarHBondContact O-N 2.86Å; R36-G38 VanDerWaalsContact O-N 3.14Å; G38-L40 PolarHBondContact O-N 2.92Å
39Q91.9Very high88.2Confident82 Ų8245.5 Ų45.538%0.38325%0.245SC..EExtended strand (participates in β ladder)trans-53.8133.6175.3-176.2-179.80.200110.5D33 R36 N37D33-Q39 PolarHBondContact N-O 3.29Å; R36-Q39 HydrophobicContact CB-CB 4.03Å; R36-Q39 VanDerWaalsContact O-CB 3.26Å; R36-Q39 WeakPolarHBondContact O-CB 3.43Å; R36-Q39 PolarHBondContact O-N 3.31Å; N37-Q39 VanDerWaalsContact C-N 3.32Å; N37-Q39 PolarHBondContact O-N 2.99Å
40L92.8Very high86.3Confident45 Ų4548.5 Ų48.524%0.23627%0.267CS..EExtended strand (participates in β ladder)trans-70133.2177-66.6173000111.1V17 L30 A31 Q32 G38 F96 L324V17-L40 HydrophobicContact CG2-CD2 4.46Å; L30-L40 HydrophobicContact CD1-CB 4.21Å; L30-L40 HydrophobicContact CD1-CD2 4.17Å; L30-L40 HydrophobicContact CD2-CD2 4.41Å; L30-L40 HydrophobicContact CG-CD2 4.23Å; A31-L40 WeakPolarHBondContact O-CA 3.26Å; Q32-L40 HydrophobicContact CG-CD2 3.81Å; G38-L40 PolarHBondContact O-N 2.92Å; L40-F96 HydrophobicContact CB-CB 3.95Å; L40-F96 HydrophobicContact CB-CD1 4.29Å; L40-F96 HydrophobicContact CB-CG 4.32Å; L40-F96 HydrophobicContact CD1-CD1 4.36Å; L40-F96 WeakPolarHBondContact O-CB 3.12Å; L40-F96 PolarHBondContact O-N 3.15Å; L40-L324 HydrophobicContact CD1-CD1 4.05Å; L40-L324 HydrophobicContact CD1-CD2 3.73Å; L40-L324 HydrophobicContact CD2-CD2 4.08Å
41V94.5Very high84.3Confident0 Ų059.1 Ų59.10%031%0.307CS..EExtended strand (participates in β ladder)trans-131.4152.7177.7-63.90000110.6Y14 A31 D33 I43 L81 V93 F94Y14-V41 HydrophobicContact CD1-CG2 3.81Å; Y14-V41 HydrophobicContact CE1-CG2 3.93Å; A31-V41 HydrophobicContact CB-CG2 3.99Å; A31-V41 PolarHBondContact N-O 2.82Å; A31-V41 WeakPolarHBondContact O-CG2 3.27Å; A31-V41 PolarHBondContact O-N 3.18Å; D33-V41 HydrophobicContact CB-CG1 4.12Å; V41-I43 HydrophobicContact CG2-CG1 4.34Å; V41-L81 HydrophobicContact CG1-CD1 3.98Å; V41-V93 HydrophobicContact CB-CG1 3.78Å; V41-V93 HydrophobicContact CG1-CG1 4.13Å; V41-V93 HydrophobicContact CG2-CG1 3.89Å; V41-F94 CarbonylContact C-O 3.49Å; V41-F94 VanDerWaalsContact CA-O 3.31Å; V41-F94 WeakPolarHBondContact CA-O 3.46Å; V41-F94 VanDerWaalsContact CB-O 3.31Å; V41-F94 WeakPolarHBondContact CB-O 3.38Å
42A93.6Very high82.2Confident15 Ų1570.5 Ų70.512%0.12435%0.35CS..EExtended strand (participates in β ladder)trans-99127.9170.300000109.7V28 F29 V93 F94V28-A42 HydrophobicContact CG1-CB 4.49Å; F29-A42 CarbonylContact O-C 3.46Å; F29-A42 WeakPolarHBondContact O-CA 3.42Å; A42-V93 WeakPolarHBondContact O-CA 3.05Å; A42-F94 PolarHBondContact N-O 3.23Å; A42-F94 PolarHBondContact O-N 3.41Å
43I92.8Very high80.2Confident13 Ų1371 Ų717%0.06736%0.355CS..EExtended strand (participates in β ladder)trans-109.6111.1177.8-56-176.5000109.2Y14 V28 F29 A31 V41 K45 F84 C91 L92 V93Y14-I43 HydrophobicContact CD1-CD1 4.25Å; Y14-I43 HydrophobicContact CD2-CD1 4.46Å; Y14-I43 HydrophobicContact CG-CD1 3.9Å; V28-I43 WeakPolarHBondContact CA-O 3.23Å; F29-I43 PolarHBondContact N-O 2.88Å; F29-I43 PolarHBondContact O-N 3.3Å; A31-I43 HydrophobicContact CB-CD1 3.51Å; A31-I43 HydrophobicContact CB-CG1 4.05Å; V41-I43 HydrophobicContact CG2-CG1 4.34Å; I43-K45 PolarHBondContact O-N 2.94Å; I43-F84 HydrophobicContact CD1-CE1 4.41Å; I43-F84 HydrophobicContact CD1-CZ 4.27Å; I43-F84 HydrophobicContact CG2-CE1 4.48Å; I43-F84 HydrophobicContact CG2-CZ 4.26Å; I43-C91 HydrophobicContact CG2-CB 3.85Å; I43-L92 CarbonylContact C-O 3.45Å; I43-L92 WeakPolarHBondContact CA-O 3.32Å; I43-V93 HydrophobicContact CG1-CG2 4.32Å
44K90.9Very high78.3Confident33 Ų3374.6 Ų74.614%0.14337%0.374CS..EExtended strand (participates in β ladder)trans-8998.4172.6-174.7179.4-178-177.40108.3A26 V46 E65 L92 F94 D158A26-K44 HydrophobicContact CB-CD 4.27Å; A26-K44 HydrophobicContact CB-CG 3.46Å; A26-K44 VanDerWaalsContact CB-CG 3.46Å; K44-V46 PolarHBondContact O-N 2.96Å; K44-E65 IonicContact NZ-OE1 3.83Å; K44-E65 PolarHBondContact NZ-OE1 2.86Å; K44-E65 IonicContact NZ-OE2 3.52Å; K44-L92 HydrophobicContact CB-CB 4.31Å; K44-L92 PolarHBondContact N-O 3.48Å; K44-L92 PolarHBondContact O-N 3.25Å; K44-F94 HydrophobicContact CB-CE2 4.11Å; K44-F94 HydrophobicContact CD-CE2 4.4Å; K44-D158 IonicContact NZ-OD1 2.88Å; K44-D158 PolarHBondContact NZ-OD1 3.31Å
45K89.4Confident76.3Confident45 Ų4576.2 Ų76.220%0.19640%0.398CS..EExtended strand (participates in β ladder)trans-83.3105.4174.2-173.4172.4-171.6173.10108.9A26 N27 F29 I43 K47 D87 C89A26-K45 CarbonylContact C-O 3.6Å; A26-K45 VanDerWaalsContact CA-O 3.23Å; A26-K45 WeakPolarHBondContact CA-O 3.36Å; A26-K45 WeakPolarHBondContact CB-O 3.5Å; N27-K45 PolarHBondContact N-O 2.82Å; N27-K45 PolarHBondContact O-N 3.1Å; F29-K45 HydrophobicContact CD2-CB 4.3Å; F29-K45 HydrophobicContact CE2-CB 3.92Å; F29-K45 HydrophobicContact CE2-CD 4.32Å; I43-K45 PolarHBondContact O-N 2.94Å; K45-K47 PolarHBondContact O-N 3.32Å; K45-D87 IonicContact NZ-OD2 2.81Å; K45-D87 PolarHBondContact NZ-OD2 2.88Å; K45-C89 HydrophobicContact CD-CB 4.27Å; K45-C89 VanDerWaalsContact CE-CB 3.42Å; K45-C89 HydrophobicContact CG-CB 3.82Å
46V85.1Confident74.5Confident11 Ų1176.5 Ų76.57%0.06740%0.4CS..EExtended strand (participates in β ladder)trans-64.5127.4178.4-178.90000109.1K44 A48 A62 C89 I90K44-V46 PolarHBondContact O-N 2.96Å; V46-A48 PolarHBondContact O-N 3.4Å; V46-A62 HydrophobicContact CG1-CB 4.03Å; V46-A62 HydrophobicContact CG2-CB 4.09Å; V46-C89 WeakPolarHBondContact O-CB 3.34Å; V46-I90 PolarHBondContact N-O 3.44Å
47K79.3Confident72.8Confident68 Ų6872.9 Ų72.930%0.29640%0.397SS..PPolyproline II helixtrans-63.8131.7176.1-68.6172.4176.5172.40108.8E22 G23 F25 N27 K45 G49E22-K47 WeakPolarHBondContact OE1-CE 3.14Å; E22-K47 IonicContact OE1-NZ 3.75Å; E22-K47 PolarHBondContact OE1-NZ 2.85Å; G23-K47 PolarHBondContact O-NZ 2.88Å; F25-K47 PolarHBondContact O-N 3.44Å; N27-K47 WeakPolarHBondContact OD1-CE 3.42Å; K45-K47 PolarHBondContact O-N 3.32Å; K47-G49 PolarHBondContact O-N 2.87Å
48A68.6Low71.3Confident64 Ų6466.6 Ų66.653%0.52936%0.362SS..PPolyproline II helixtrans-56.8129.5173.400000109.4V46V46-A48 PolarHBondContact O-N 3.4Å
49G60.3Low70.4Confident22 Ų2267.4 Ų67.423%0.22736%0.361CS..PPolyproline II helixtrans-66.5166.5174.300000111.1K47 R51K47-G49 PolarHBondContact O-N 2.87Å; G49-R51 PolarHBondContact O-N 2.8Å
50P51.7Low69.4Low91 Ų9168.4 Ų68.459%0.59137%0.369SS*.PPolyproline II helixtrans-49.3145.1164.9-22.432.2000109.6W52 V53P50-W52 PolarHBondContact O-N 3.48Å; P50-V53 WeakPolarHBondContact O-CB 3.42Å; P50-V53 WeakPolarHBondContact O-CG2 2.98Å; P50-V53 PolarHBondContact O-N 3.48Å
51R48.8Very low68.3Low224 Ų22467.6 Ų67.685%0.84537%0.367SS*.THydrogen-bonded Turntrans-53.6-7.4-173.5-153.2173.1-168.7169.31.6116G49G49-R51 PolarHBondContact O-N 2.8Å
52W49.4Very low67.3Low238 Ų23867.7 Ų67.790%0.90237%0.367SS*.THydrogen-bonded Turntrans-88.4-3.5176.6-38.3102.4000113.3P50 L54P50-W52 PolarHBondContact O-N 3.48Å; W52-L54 PolarHBondContact O-N 2.83Å
53V52Low66.7Low40 Ų4069.3 Ų69.324%0.24237%0.374CS..SBendtrans-9393.4179.91790000109.2P50 G57 M58 N59P50-V53 WeakPolarHBondContact O-CB 3.42Å; P50-V53 WeakPolarHBondContact O-CG2 2.98Å; P50-V53 PolarHBondContact O-N 3.48Å; V53-G57 CarbonylContact O-C 3.45Å; V53-G57 VanDerWaalsContact O-CA 3.28Å; V53-G57 WeakPolarHBondContact O-CA 3.46Å; V53-G57 PolarHBondContact O-N 3.46Å; V53-M58 WeakPolarHBondContact CG1-O 3.33Å; V53-N59 HydrophobicContact CG1-CB 4.44Å
54L52.4Low66.1Low76 Ų7674 Ų7440%0.39839%0.391SS..  trans55.5145.4-173.4-62.9176.3000114W52 D56 G57 M58 L60 I63W52-L54 PolarHBondContact O-N 2.83Å; L54-D56 PolarHBondContact O-N 3.3Å; L54-G57 PolarHBondContact O-N 3.21Å; L54-M58 HydrophobicContact CD1-CB 4.45Å; L54-M58 WeakPolarHBondContact CD1-O 3.21Å; L54-L60 HydrophobicContact CD1-CD2 3.97Å; L54-L60 HydrophobicContact CD1-CG 4.34Å; L54-I63 HydrophobicContact CD1-CD1 3.91Å
55A50.5Low65.6Low110 Ų11073 Ų7391%0.90939%0.386SS*.THydrogen-bonded Turntrans-55-24.4175.100000112.2
56D53.7Low65.4Low123 Ų12371.2 Ų71.266%0.65838%0.379SS*.THydrogen-bonded Turntrans-97.26.4-178.4-52.5-29.8000113.6L54 M58L54-D56 PolarHBondContact O-N 3.3Å; D56-M58 PolarHBondContact O-N 2.9Å
57G52.8Low65.5Low35 Ų3575.5 Ų75.536%0.36140%0.397SS..  trans73.44173.300000116.4V53 L54V53-G57 CarbonylContact O-C 3.45Å; V53-G57 VanDerWaalsContact O-CA 3.28Å; V53-G57 WeakPolarHBondContact O-CA 3.46Å; V53-G57 PolarHBondContact O-N 3.46Å; L54-G57 PolarHBondContact O-N 3.21Å
58M59.9Low65.8Low40 Ų4072.4 Ų72.420%0.19738%0.383CS..  trans-86.7131.5-176.2-64.3-163.4170.600112.9I3 V53 L54 D56 L60 I63 I90I3-M58 HydrophobicContact CG2-CE 4.4Å; I3-M58 HydrophobicContact CG2-SD 4.46Å; V53-M58 WeakPolarHBondContact CG1-O 3.33Å; L54-M58 HydrophobicContact CD1-CB 4.45Å; L54-M58 WeakPolarHBondContact CD1-O 3.21Å; D56-M58 PolarHBondContact O-N 2.9Å; M58-L60 PolarHBondContact O-N 3.24Å; M58-I63 HydrophobicContact CB-CD1 3.93Å; M58-I63 HydrophobicContact CB-CG1 4.27Å; M58-I63 HydrophobicContact SD-CD1 4.35Å; M58-I63 HydrophobicContact SD-CG1 4.4Å; M58-I90 HydrophobicContact CB-CD1 4.18Å; M58-I90 HydrophobicContact CE-CD1 4.01Å; M58-I90 HydrophobicContact CE-CG1 4.13Å; M58-I90 HydrophobicContact CG-CD1 3.82Å; M58-I90 HydrophobicContact CG-CG1 4.42Å; M58-I90 HydrophobicContact SD-CD1 3.66Å; M58-I90 HydrophobicContact SD-CG1 4.41Å
59N68Low66.8Low40 Ų4069.5 Ų69.521%0.21436%0.359CS..  trans-71.4125174-166.7-22.2000111V53 S61 A62 I63V53-N59 HydrophobicContact CG1-CB 4.44Å; N59-S61 PolarHBondContact ND2-OG 3.32Å; N59-S61 PolarHBondContact O-N 2.66Å; N59-S61 VanDerWaalsContact O-N 3.13Å; N59-S61 PolarHBondContact OD1-N 3.04Å; N59-S61 VanDerWaalsContact OD1-N 3.1Å; N59-S61 PolarHBondContact OD1-OG 2.99Å; N59-A62 HydrophobicContact CB-CB 4.27Å; N59-A62 WeakPolarHBondContact O-CA 3.47Å; N59-A62 WeakPolarHBondContact O-CB 3.33Å; N59-A62 PolarHBondContact O-N 2.77Å; N59-I63 PolarHBondContact O-N 3.2Å; N59-I63 VanDerWaalsContact O-N 3.13Å
60L70.5Confident68.2Low104 Ų10474.8 Ų74.855%0.54538%0.375SS..Hα-helixtrans-55.5-29.3176.9-75171.4000112.9L54 M58 R64L54-L60 HydrophobicContact CD1-CD2 3.97Å; L54-L60 HydrophobicContact CD1-CG 4.34Å; M58-L60 PolarHBondContact O-N 3.24Å; L60-R64 WeakPolarHBondContact O-CB 3.5Å; L60-R64 PolarHBondContact O-N 2.86Å
61S70Confident69.9Low28 Ų2875.1 Ų75.120%0.19637%0.369CS..Hα-helixtrans-65.9-42.9173.163.20000111.8N59 R64 E65N59-S61 PolarHBondContact ND2-OG 3.32Å; N59-S61 PolarHBondContact O-N 2.66Å; N59-S61 VanDerWaalsContact O-N 3.13Å; N59-S61 PolarHBondContact OD1-N 3.04Å; N59-S61 VanDerWaalsContact OD1-N 3.1Å; N59-S61 PolarHBondContact OD1-OG 2.99Å; S61-R64 PolarHBondContact O-N 3.39Å; S61-E65 WeakPolarHBondContact O-CB 3.46Å; S61-E65 PolarHBondContact O-N 2.97Å
62A74.3Confident72Confident1 Ų164.8 Ų64.81%0.00833%0.33CS..Hα-helixtrans-65.9-41.517900000111.9V46 N59 R64 E65 I66 I90V46-A62 HydrophobicContact CG1-CB 4.03Å; V46-A62 HydrophobicContact CG2-CB 4.09Å; N59-A62 HydrophobicContact CB-CB 4.27Å; N59-A62 WeakPolarHBondContact O-CA 3.47Å; N59-A62 WeakPolarHBondContact O-CB 3.33Å; N59-A62 PolarHBondContact O-N 2.77Å; A62-R64 VanDerWaalsContact C-N 3.3Å; A62-R64 PolarHBondContact O-N 3.25Å; A62-E65 PolarHBondContact O-N 3.47Å; A62-I66 WeakPolarHBondContact O-CB 3.42Å; A62-I66 VanDerWaalsContact O-CD1 3.31Å; A62-I66 WeakPolarHBondContact O-CD1 3.21Å; A62-I66 WeakPolarHBondContact O-CG1 3.48Å; A62-I66 PolarHBondContact O-N 3Å; A62-I90 HydrophobicContact CB-CD1 4.39Å
63I79.8Confident74.1Confident50 Ų5059.1 Ų59.126%0.25632%0.318SS..Hα-helixtrans-60.9-42.3175.3-63.1174.3000110.6L54 M58 N59 I66 K67L54-I63 HydrophobicContact CD1-CD1 3.91Å; M58-I63 HydrophobicContact CB-CD1 3.93Å; M58-I63 HydrophobicContact CB-CG1 4.27Å; M58-I63 HydrophobicContact SD-CD1 4.35Å; M58-I63 HydrophobicContact SD-CG1 4.4Å; N59-I63 PolarHBondContact O-N 3.2Å; N59-I63 VanDerWaalsContact O-N 3.13Å; I63-I66 PolarHBondContact O-N 3.44Å; I63-K67 WeakPolarHBondContact O-CB 3.24Å; I63-K67 PolarHBondContact O-N 2.78Å
64R79.9Confident76.2Confident112 Ų11258.9 Ų58.942%0.42331%0.314SS..Hα-helixtrans-65.3-45.2177.2-171.7-175.5-561156.1111.8L60 S61 A62 K67 I68 A162L60-R64 WeakPolarHBondContact O-CB 3.5Å; L60-R64 PolarHBondContact O-N 2.86Å; S61-R64 PolarHBondContact O-N 3.39Å; A62-R64 VanDerWaalsContact C-N 3.3Å; A62-R64 PolarHBondContact O-N 3.25Å; R64-K67 PolarHBondContact O-N 3.43Å; R64-I68 HydrophobicContact CG-CD1 4.2Å; R64-I68 WeakPolarHBondContact O-CG1 3.38Å; R64-I68 PolarHBondContact O-N 3Å; R64-A162 WeakPolarHBondContact CD-O 3.24Å
65E82Confident78.4Confident10 Ų1058.7 Ų58.75%0.04732%0.318CS..Hα-helixtrans-57.5-49176.1-179.6172.1-169.700110.2K44 S61 A62 K67 I68 L69 L92 F159K44-E65 IonicContact NZ-OE1 3.83Å; K44-E65 PolarHBondContact NZ-OE1 2.86Å; K44-E65 IonicContact NZ-OE2 3.52Å; S61-E65 WeakPolarHBondContact O-CB 3.46Å; S61-E65 PolarHBondContact O-N 2.97Å; A62-E65 PolarHBondContact O-N 3.47Å; E65-K67 VanDerWaalsContact C-N 3.35Å; E65-K67 PolarHBondContact O-N 2.76Å; E65-I68 PolarHBondContact O-N 3Å; E65-L69 HydrophobicContact CG-CD1 3.62Å; E65-L69 HydrophobicContact CG-CG 4.25Å; E65-L69 VanDerWaalsContact O-CB 3.24Å; E65-L69 WeakPolarHBondContact O-CB 3.49Å; E65-L69 WeakPolarHBondContact O-CG 3.47Å; E65-L69 PolarHBondContact O-N 3.21Å; E65-L92 HydrophobicContact CG-CD1 4.33Å; E65-F159 HydrophobicContact CG-CB 4.14Å
66I85.5Confident80.6Confident8 Ų853.9 Ų53.94%0.04128%0.277CS..Hα-helixtrans-59-43.8176.1-67.2158.6000111.8A62 I63 L69 K70 V83 I90 L92A62-I66 WeakPolarHBondContact O-CB 3.42Å; A62-I66 VanDerWaalsContact O-CD1 3.31Å; A62-I66 WeakPolarHBondContact O-CD1 3.21Å; A62-I66 WeakPolarHBondContact O-CG1 3.48Å; A62-I66 PolarHBondContact O-N 3Å; I63-I66 PolarHBondContact O-N 3.44Å; I66-L69 PolarHBondContact O-N 3.22Å; I66-K70 HydrophobicContact CG2-CD 4.04Å; I66-K70 HydrophobicContact CG2-CG 4.36Å; I66-K70 WeakPolarHBondContact O-CB 3.36Å; I66-K70 VanDerWaalsContact O-CG 3.3Å; I66-K70 WeakPolarHBondContact O-CG 3.3Å; I66-K70 PolarHBondContact O-N 3.09Å; I66-V83 HydrophobicContact CD1-CG1 4.2Å; I66-V83 HydrophobicContact CG1-CG2 4.49Å; I66-V83 HydrophobicContact CG2-CG2 4.24Å; I66-I90 HydrophobicContact CD1-CD1 4.25Å; I66-I90 HydrophobicContact CD1-CG2 3.89Å; I66-L92 HydrophobicContact CD1-CD2 3.83Å; I66-L92 HydrophobicContact CG1-CD2 3.42Å; I66-L92 VanDerWaalsContact CG1-CD2 3.42Å
67K86.8Confident82.7Confident102 Ų10248.1 Ų48.144%0.44325%0.246SC..Hα-helixtrans-60.5-48.8180-171.4-168.1174.7-151.40110.9I63 R64 E65 K70 E71I63-K67 WeakPolarHBondContact O-CB 3.24Å; I63-K67 PolarHBondContact O-N 2.78Å; R64-K67 PolarHBondContact O-N 3.43Å; E65-K67 VanDerWaalsContact C-N 3.35Å; E65-K67 PolarHBondContact O-N 2.76Å; K67-K70 PolarHBondContact O-N 2.9Å; K67-E71 WeakPolarHBondContact CE-OE1 3.49Å
68I85.9Confident84.7Confident2 Ų247 Ų471%0.0123%0.231CC..Hα-helixtrans-63.1-49.7178.4-68.2171.6000110.1R64 E65 K70 E71 I72 I136 F159 A162 Q164R64-I68 HydrophobicContact CG-CD1 4.2Å; R64-I68 WeakPolarHBondContact O-CG1 3.38Å; R64-I68 PolarHBondContact O-N 3Å; E65-I68 PolarHBondContact O-N 3Å; I68-K70 PolarHBondContact O-N 2.78Å; I68-E71 PolarHBondContact O-N 2.81Å; I68-I72 HydrophobicContact CG2-CD1 4.46Å; I68-I72 PolarHBondContact O-N 2.84Å; I68-I136 HydrophobicContact CG2-CD1 3.82Å; I68-I136 HydrophobicContact CG2-CG1 4.21Å; I68-I136 HydrophobicContact CG2-CG2 4.16Å; I68-F159 HydrophobicContact CG2-CD1 4.05Å; I68-A162 HydrophobicContact CD1-CB 3.71Å; I68-Q164 HydrophobicContact CG1-CG 4.48Å
69L89.4Confident86.2Confident4 Ų446.5 Ų46.52%0.02123%0.231CC..Hα-helixtrans-61.8-26.6-177.3-76.5175.3000114E65 I66 E71 I72 L80 L92 F94 F159E65-L69 HydrophobicContact CG-CD1 3.62Å; E65-L69 HydrophobicContact CG-CG 4.25Å; E65-L69 VanDerWaalsContact O-CB 3.24Å; E65-L69 WeakPolarHBondContact O-CB 3.49Å; E65-L69 WeakPolarHBondContact O-CG 3.47Å; E65-L69 PolarHBondContact O-N 3.21Å; I66-L69 PolarHBondContact O-N 3.22Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-I72 HydrophobicContact CD2-CD1 3.72Å; L69-I72 HydrophobicContact CD2-CG1 4.5Å; L69-L80 HydrophobicContact CB-CB 3.81Å; L69-L80 HydrophobicContact CB-CD2 3.63Å; L69-L80 HydrophobicContact CB-CG 4.34Å; L69-L80 HydrophobicContact CD1-CB 4.35Å; L69-L80 HydrophobicContact CD1-CD1 4.41Å; L69-L80 HydrophobicContact CD1-CD2 4.24Å; L69-L92 HydrophobicContact CD1-CD1 4.41Å; L69-F94 HydrophobicContact CD1-CE1 3.74Å; L69-F94 HydrophobicContact CD1-CZ 3.62Å; L69-F94 HydrophobicContact CD2-CE1 4.16Å; L69-F159 HydrophobicContact CD2-CD2 3.49Å; L69-F159 VanDerWaalsContact CD2-CD2 3.49Å; L69-F159 HydrophobicContact CD2-CE2 3.93Å; L69-F159 HydrophobicContact CD2-CG 4.15Å; L69-F159 HydrophobicContact CG-CD2 4.36Å
70K89.5Confident87.5Confident133 Ų13345.7 Ų45.758%0.57823%0.226SC*.Hα-helixtrans-76.7-20174.9-79.2-176.5174.5-171.40113.7I66 K67 I68 L80I66-K70 HydrophobicContact CG2-CD 4.04Å; I66-K70 HydrophobicContact CG2-CG 4.36Å; I66-K70 WeakPolarHBondContact O-CB 3.36Å; I66-K70 VanDerWaalsContact O-CG 3.3Å; I66-K70 WeakPolarHBondContact O-CG 3.3Å; I66-K70 PolarHBondContact O-N 3.09Å; K67-K70 PolarHBondContact O-N 2.9Å; I68-K70 PolarHBondContact O-N 2.78Å; K70-L80 HydrophobicContact CG-CD2 4.18Å
71E88Confident88.5Confident97 Ų9742.9 Ų42.945%0.45321%0.212SC..Hα-helixtrans-97.3-5.4-177.5-67.9172.8-166.600112.2K67 I68 L69 Q164K67-E71 WeakPolarHBondContact CE-OE1 3.49Å; I68-E71 PolarHBondContact O-N 2.81Å; L69-E71 VanDerWaalsContact C-N 3.34Å; E71-Q164 PolarHBondContact OE2-NE2 3.37Å
72I91.1Very high89.5Confident7 Ų743.7 Ų43.74%0.03621%0.214CC..  trans-111.9136.1-176.365.7-174.5000112.4I68 L69 V77 Y130 L131 I136 F159I68-I72 HydrophobicContact CG2-CD1 4.46Å; I68-I72 PolarHBondContact O-N 2.84Å; L69-I72 HydrophobicContact CD2-CD1 3.72Å; L69-I72 HydrophobicContact CD2-CG1 4.5Å; I72-V77 HydrophobicContact CD1-CG1 3.52Å; I72-V77 HydrophobicContact CG1-CG1 4.22Å; I72-Y130 WeakPolarHBondContact CA-OH 3.48Å; I72-Y130 HydrophobicContact CB-CE1 3.94Å; I72-Y130 HydrophobicContact CG2-CE1 4.1Å; I72-L131 HydrophobicContact CG2-CD2 4.37Å; I72-I136 HydrophobicContact CG2-CD1 3.49Å; I72-I136 VanDerWaalsContact CG2-CD1 3.49Å; I72-F159 HydrophobicContact CD1-CD2 4.5Å; I72-F159 HydrophobicContact CD1-CE1 4.16Å; I72-F159 HydrophobicContact CD1-CE2 4.01Å; I72-F159 HydrophobicContact CD1-CZ 3.85Å
73D94.1Very high90.3Very high120 Ų12044.6 Ų44.664%0.64222%0.219SC*.  trans-149.6106.6171.3-174.923.4000109.5Y130D73-Y130 PolarHBondContact N-OH 3.23Å; D73-Y130 PolarHBondContact O-OH 3.36Å
74H97.2Very high90.6Very high34 Ų3442.6 Ų42.616%0.15721%0.208CC..  trans-153.9141.4-177.7-175.1-96.4000110.9N76 V77 R126 Y130H74-N76 PolarHBondContact ND1-N 2.88Å; H74-N76 PolarHBondContact O-N 2.87Å; H74-N76 VanDerWaalsContact O-N 3.08Å; H74-V77 HydrophobicContact CB-CB 4.11Å; H74-V77 HydrophobicContact CB-CG2 4.02Å; H74-V77 PolarHBondContact O-N 3.01Å; H74-R126 PolarHBondContact CE1-O 3.47Å; H74-Y130 HydrophobicContact CB-CD1 3.54Å; H74-Y130 HydrophobicContact CB-CD2 3.89Å; H74-Y130 HydrophobicContact CB-CE1 3.71Å; H74-Y130 HydrophobicContact CB-CE2 4.03Å; H74-Y130 HydrophobicContact CB-CG 3.63Å; H74-Y130 AromaticContact CD2-CD2 3.52Å; H74-Y130 AromaticContact CD2-CG 3.59Å; H74-Y130 AromaticContact CG-CD1 3.94Å; H74-Y130 AromaticContact CG-CD2 3.87Å; H74-Y130 AromaticContact CG-CG 3.57Å
75P97.1Very high90.7Very high73 Ų7338 Ų3847%0.47419%0.194SC..THydrogen-bonded Turntrans-57.2-27.5-178.720.8-35.3000114.7K155P75-K155 WeakPolarHBondContact O-CG 3.49Å
76N98.2Very high90.4Very high9 Ų940.5 Ų40.55%0.04821%0.205CC..THydrogen-bonded Turntrans-103.119.1177.9-56.5112.8000114.3H74 Q123 V154 K155 I156H74-N76 PolarHBondContact ND1-N 2.88Å; H74-N76 PolarHBondContact O-N 2.87Å; H74-N76 VanDerWaalsContact O-N 3.08Å; N76-Q123 VanDerWaalsContact CB-O 3.31Å; N76-Q123 WeakPolarHBondContact CB-O 3.31Å; N76-Q123 WeakPolarHBondContact ND2-CB 3.47Å; N76-Q123 PolarHBondContact ND2-OE1 2.89Å; N76-V154 VanDerWaalsContact CA-O 3.26Å; N76-V154 WeakPolarHBondContact CA-O 3.48Å; N76-V154 WeakPolarHBondContact CB-O 3.38Å; N76-V154 PolarHBondContact ND2-O 2.8Å; N76-K155 WeakPolarHBondContact O-CA 3.38Å; N76-I156 PolarHBondContact O-N 2.96Å
77V97.2Very high89.9Confident1 Ų145.6 Ų45.61%0.00623%0.232CC..BIsolated β-bridgetrans-129.2141.3173.3178.80000109.3I72 H74 T79 Y130 L131 F159I72-V77 HydrophobicContact CD1-CG1 3.52Å; I72-V77 HydrophobicContact CG1-CG1 4.22Å; H74-V77 HydrophobicContact CB-CB 4.11Å; H74-V77 HydrophobicContact CB-CG2 4.02Å; H74-V77 PolarHBondContact O-N 3.01Å; V77-T79 PolarHBondContact O-N 3.3Å; V77-Y130 HydrophobicContact CG2-CD1 4.09Å; V77-L131 HydrophobicContact CG1-CD2 4.37Å; V77-L131 HydrophobicContact CG2-CD2 4.17Å; V77-L131 HydrophobicContact CG2-CG 4.18Å; V77-F159 HydrophobicContact CG1-CE2 3.9Å; V77-F159 HydrophobicContact CG1-CZ 3.53Å
78L94.7Very high89.3Confident12 Ų1250 Ų506%0.06325%0.246CC..  trans-71.8113.2-177.9-165.369.8000110.3F94 M97 F147 K155 I156L78-F94 HydrophobicContact CD1-CB 4.42Å; L78-F94 HydrophobicContact CD2-CB 3.99Å; L78-F94 HydrophobicContact CD2-CD1 3.66Å; L78-F94 HydrophobicContact CD2-CD2 4.45Å; L78-F94 HydrophobicContact CD2-CE1 4.21Å; L78-F94 HydrophobicContact CD2-CG 3.79Å; L78-F94 HydrophobicContact CG-CB 4.13Å; L78-F94 HydrophobicContact CG-CD1 3.71Å; L78-F94 HydrophobicContact CG-CE1 4.44Å; L78-F94 HydrophobicContact CG-CG 4.15Å; L78-M97 HydrophobicContact CD1-CG 3.81Å; L78-M97 HydrophobicContact CD1-SD 4.2Å; L78-F147 HydrophobicContact CD2-CD2 4.25Å; L78-F147 HydrophobicContact CD2-CE2 4.27Å; L78-K155 HydrophobicContact CB-CB 4.4Å; L78-K155 HydrophobicContact CD1-CB 4.36Å; L78-K155 HydrophobicContact CD1-CD 4.05Å; L78-I156 WeakPolarHBondContact CB-O 2.99Å; L78-I156 PolarHBondContact N-O 2.93Å
79T91.7Very high88.9Confident30 Ų3050.9 Ų50.918%0.18425%0.253CS..  trans-79.6129.4-177.1-46.30000111.2V77 L81 F94V77-T79 PolarHBondContact O-N 3.3Å; T79-L81 PolarHBondContact O-N 2.78Å; T79-F94 WeakPolarHBondContact O-CD1 3.42Å
80L93.7Very high88.7Confident23 Ų2351.4 Ų51.412%0.1226%0.255CS..EExtended strand (participates in β ladder)trans-77.7114.1171178.767.7000109.7L69 K70 D82 V83 L92 F94L69-L80 HydrophobicContact CB-CB 3.81Å; L69-L80 HydrophobicContact CB-CD2 3.63Å; L69-L80 HydrophobicContact CB-CG 4.34Å; L69-L80 HydrophobicContact CD1-CB 4.35Å; L69-L80 HydrophobicContact CD1-CD1 4.41Å; L69-L80 HydrophobicContact CD1-CD2 4.24Å; K70-L80 HydrophobicContact CG-CD2 4.18Å; L80-D82 WeakPolarHBondContact CD1-O 3.22Å; L80-V83 HydrophobicContact CD1-CG2 3.98Å; L80-V83 HydrophobicContact CD2-CG2 3.59Å; L80-V83 HydrophobicContact CG-CG2 4.03Å; L80-L92 HydrophobicContact CD1-CB 3.86Å; L80-L92 HydrophobicContact CD1-CD2 4.27Å; L80-F94 HydrophobicContact CB-CE1 4.1Å; L80-F94 HydrophobicContact CD1-CD1 4.47Å; L80-F94 HydrophobicContact CD1-CE1 3.92Å; L80-F94 HydrophobicContact CD1-CZ 3.97Å
81L92.3Very high88.7Confident45 Ų4545.2 Ų45.224%0.23623%0.228CC..EExtended strand (participates in β ladder)trans-83.8-38.5-176.7-58.7-179.5000112.6V41 T79 V93V41-L81 HydrophobicContact CG1-CD1 3.98Å; T79-L81 PolarHBondContact O-N 2.78Å; L81-V93 HydrophobicContact CB-CB 4.5Å; L81-V93 HydrophobicContact CB-CG1 4.37Å; L81-V93 WeakPolarHBondContact CB-O 3.27Å; L81-V93 PolarHBondContact N-O 3.24Å
82D91.7Very high88.8Confident45 Ų4540.6 Ų40.624%0.24121%0.207CC..EExtended strand (participates in β ladder)trans-159158.8-176.7-160.74.1000110.9R13 Y14 L80 V93R13-D82 IonicContact CZ-OD2 2.81Å; R13-D82 IonicContact NH1-OD2 3.72Å; R13-D82 PolarHBondContact NH1-OD2 2.78Å; Y14-D82 HydrophobicContact CE2-CB 4.47Å; Y14-D82 WeakPolarHBondContact OH-CB 3.28Å; Y14-D82 PolarHBondContact OH-OD2 2.85Å; L80-D82 WeakPolarHBondContact CD1-O 3.22Å; D82-V93 HydrophobicContact CB-CB 3.97Å; D82-V93 HydrophobicContact CB-CG2 3.97Å; D82-V93 PolarHBondContact O-N 3.1Å
83V89.5Confident88.9Confident19 Ų1940.2 Ų40.212%0.11521%0.205CC..EExtended strand (participates in β ladder)trans-134.7126.6172.9-178.70000108.6I66 L80 I90 C91 L92I66-V83 HydrophobicContact CD1-CG1 4.2Å; I66-V83 HydrophobicContact CG1-CG2 4.49Å; I66-V83 HydrophobicContact CG2-CG2 4.24Å; L80-V83 HydrophobicContact CD1-CG2 3.98Å; L80-V83 HydrophobicContact CD2-CG2 3.59Å; L80-V83 HydrophobicContact CG-CG2 4.03Å; V83-I90 HydrophobicContact CG1-CG2 3.79Å; V83-C91 WeakPolarHBondContact CA-O 3.4Å; V83-L92 HydrophobicContact CG1-CD2 4.03Å; V83-L92 HydrophobicContact CG2-CD2 3.9Å
84F87.5Confident88.9Confident9 Ų935.1 Ų35.14%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-138.2160.7173.367.4-88.1000114V5 N11 Y14 I43 Q86 C91 V93V5-F84 HydrophobicContact CG1-CB 3.7Å; N11-F84 HydrophobicContact CB-CD2 4.34Å; N11-F84 HydrophobicContact CB-CE2 4.32Å; N11-F84 WeakPolarHBondContact ND2-CG 3.38Å; Y14-F84 HydrophobicContact CD2-CD1 4.05Å; Y14-F84 AromaticContact CD2-CE1 3.45Å; Y14-F84 HydrophobicContact CD2-CE1 3.45Å; Y14-F84 VanDerWaalsContact CD2-CE1 3.45Å; Y14-F84 HydrophobicContact CD2-CZ 4.02Å; Y14-F84 AromaticContact CE2-CD1 3.92Å; Y14-F84 HydrophobicContact CE2-CD1 3.92Å; Y14-F84 AromaticContact CE2-CE1 3.69Å; Y14-F84 HydrophobicContact CE2-CE1 3.69Å; Y14-F84 HydrophobicContact CG-CE1 4.4Å; I43-F84 HydrophobicContact CD1-CE1 4.41Å; I43-F84 HydrophobicContact CD1-CZ 4.27Å; I43-F84 HydrophobicContact CG2-CE1 4.48Å; I43-F84 HydrophobicContact CG2-CZ 4.26Å; F84-Q86 HydrophobicContact CD2-CB 4.19Å; F84-Q86 HydrophobicContact CE2-CB 3.99Å; F84-C91 HydrophobicContact CD1-CB 3.95Å; F84-C91 HydrophobicContact CD2-CB 3.86Å; F84-C91 HydrophobicContact CE1-CB 3.63Å; F84-C91 HydrophobicContact CE2-CB 3.53Å; F84-C91 HydrophobicContact CG-CB 4.06Å; F84-C91 HydrophobicContact CZ-CB 3.41Å; F84-C91 VanDerWaalsContact CZ-CB 3.41Å; F84-C91 PolarHBondContact N-O 3.34Å; F84-C91 WeakPolarHBondContact O-CB 3.4Å; F84-C91 PolarHBondContact O-N 3.33Å; F84-V93 HydrophobicContact CD1-CG2 3.94Å; F84-V93 HydrophobicContact CE1-CG2 3.57Å
85S81.3Confident88.7Confident16 Ų1635 Ų3511%0.11218%0.178CC..EExtended strand (participates in β ladder)trans-98.2136.8172.8-1730000109.2C89S85-C89 CarbonylContact C-O 3.42Å; S85-C89 WeakPolarHBondContact CA-O 3.43Å
86Q76Confident88.5Confident62 Ų6233.8 Ų33.829%0.2917%0.165SC..EExtended strand (participates in β ladder)trans-150128.8170.1-172.8178.7-11.300110.1F84 R88 C89F84-Q86 HydrophobicContact CD2-CB 4.19Å; F84-Q86 HydrophobicContact CE2-CB 3.99Å; Q86-R88 VanDerWaalsContact C-N 3.32Å; Q86-R88 PolarHBondContact O-N 3.5Å; Q86-C89 PolarHBondContact N-O 2.86Å; Q86-C89 WeakPolarHBondContact O-CB 3.5Å; Q86-C89 PolarHBondContact O-N 3.25Å
87D75.8Confident88.2Confident114 Ų11434.3 Ų34.361%0.6117%0.167SC*.THydrogen-bonded Turntrans54.443.6-178.4-43.1-49.1000112.9K45 C89K45-D87 IonicContact NZ-OD2 2.81Å; K45-D87 PolarHBondContact NZ-OD2 2.88Å; D87-C89 PolarHBondContact O-N 2.93Å; D87-C89 VanDerWaalsContact O-N 3.13Å; D87-C89 PolarHBondContact O-SG 2.88Å; D87-C89 VanDerWaalsContact O-SG 3.41Å
88R73.7Confident87.8Confident195 Ų19535.4 Ų35.474%0.73618%0.175SC*.THydrogen-bonded Turntrans59.518.8-175.6-50.9-179.3-177.9-179.30.6114.6Q86Q86-R88 VanDerWaalsContact C-N 3.32Å; Q86-R88 PolarHBondContact O-N 3.5Å
89C78Confident87.7Confident21 Ų2135.2 Ų35.214%0.14218%0.175CC..EExtended strand (participates in β ladder)trans-114.4145.8174.9-57.60000109K45 V46 S85 Q86 D87K45-C89 HydrophobicContact CD-CB 4.27Å; K45-C89 VanDerWaalsContact CE-CB 3.42Å; K45-C89 HydrophobicContact CG-CB 3.82Å; V46-C89 WeakPolarHBondContact O-CB 3.34Å; S85-C89 CarbonylContact C-O 3.42Å; S85-C89 WeakPolarHBondContact CA-O 3.43Å; Q86-C89 PolarHBondContact N-O 2.86Å; Q86-C89 WeakPolarHBondContact O-CB 3.5Å; Q86-C89 PolarHBondContact O-N 3.25Å; D87-C89 PolarHBondContact O-N 2.93Å; D87-C89 VanDerWaalsContact O-N 3.13Å; D87-C89 PolarHBondContact O-SG 2.88Å; D87-C89 VanDerWaalsContact O-SG 3.41Å
90I85.1Confident87.8Confident14 Ų1435.5 Ų35.57%0.07218%0.175CC..EExtended strand (participates in β ladder)trans-86.8132.5171.7-54.4171.5000108.6V46 M58 A62 I66 V83 L92V46-I90 PolarHBondContact N-O 3.44Å; M58-I90 HydrophobicContact CB-CD1 4.18Å; M58-I90 HydrophobicContact CE-CD1 4.01Å; M58-I90 HydrophobicContact CE-CG1 4.13Å; M58-I90 HydrophobicContact CG-CD1 3.82Å; M58-I90 HydrophobicContact CG-CG1 4.42Å; M58-I90 HydrophobicContact SD-CD1 3.66Å; M58-I90 HydrophobicContact SD-CG1 4.41Å; A62-I90 HydrophobicContact CB-CD1 4.39Å; I66-I90 HydrophobicContact CD1-CD1 4.25Å; I66-I90 HydrophobicContact CD1-CG2 3.89Å; V83-I90 HydrophobicContact CG1-CG2 3.79Å; I90-L92 HydrophobicContact CG2-CD2 3.98Å
91C88.2Confident88Confident3 Ų334.4 Ų34.42%0.0217%0.17CC..EExtended strand (participates in β ladder)trans-110.3122.9175.1-66.80000109.1I43 V83 F84I43-C91 HydrophobicContact CG2-CB 3.85Å; V83-C91 WeakPolarHBondContact CA-O 3.4Å; F84-C91 HydrophobicContact CD1-CB 3.95Å; F84-C91 HydrophobicContact CD2-CB 3.86Å; F84-C91 HydrophobicContact CE1-CB 3.63Å; F84-C91 HydrophobicContact CE2-CB 3.53Å; F84-C91 HydrophobicContact CG-CB 4.06Å; F84-C91 HydrophobicContact CZ-CB 3.41Å; F84-C91 VanDerWaalsContact CZ-CB 3.41Å; F84-C91 PolarHBondContact N-O 3.34Å; F84-C91 WeakPolarHBondContact O-CB 3.4Å; F84-C91 PolarHBondContact O-N 3.33Å
92L91.2Very high88.1Confident0 Ų035.5 Ų35.50%017%0.174CC..EExtended strand (participates in β ladder)trans-103129.8173.6-51.4-178.7000109I43 K44 E65 I66 L69 L80 V83 I90 F94I43-L92 CarbonylContact C-O 3.45Å; I43-L92 WeakPolarHBondContact CA-O 3.32Å; K44-L92 HydrophobicContact CB-CB 4.31Å; K44-L92 PolarHBondContact N-O 3.48Å; K44-L92 PolarHBondContact O-N 3.25Å; E65-L92 HydrophobicContact CG-CD1 4.33Å; I66-L92 HydrophobicContact CD1-CD2 3.83Å; I66-L92 HydrophobicContact CG1-CD2 3.42Å; I66-L92 VanDerWaalsContact CG1-CD2 3.42Å; L69-L92 HydrophobicContact CD1-CD1 4.41Å; L80-L92 HydrophobicContact CD1-CB 3.86Å; L80-L92 HydrophobicContact CD1-CD2 4.27Å; V83-L92 HydrophobicContact CG1-CD2 4.03Å; V83-L92 HydrophobicContact CG2-CD2 3.9Å; I90-L92 HydrophobicContact CG2-CD2 3.98Å; L92-F94 HydrophobicContact CB-CD2 4.4Å; L92-F94 HydrophobicContact CB-CE2 3.52Å; L92-F94 HydrophobicContact CB-CZ 3.87Å; L92-F94 HydrophobicContact CD1-CE2 4.4Å; L92-F94 HydrophobicContact CD1-CZ 4.22Å
93V93.2Very high88.2Confident0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-108127.9-177.1-171.40000110.1Y14 V41 A42 I43 L81 D82 F84Y14-V93 HydrophobicContact CD2-CG2 4.42Å; Y14-V93 HydrophobicContact CE1-CG1 3.74Å; Y14-V93 HydrophobicContact CE1-CG2 4.36Å; Y14-V93 HydrophobicContact CE2-CG2 3.81Å; V41-V93 HydrophobicContact CB-CG1 3.78Å; V41-V93 HydrophobicContact CG1-CG1 4.13Å; V41-V93 HydrophobicContact CG2-CG1 3.89Å; A42-V93 WeakPolarHBondContact O-CA 3.05Å; I43-V93 HydrophobicContact CG1-CG2 4.32Å; L81-V93 HydrophobicContact CB-CB 4.5Å; L81-V93 HydrophobicContact CB-CG1 4.37Å; L81-V93 WeakPolarHBondContact CB-O 3.27Å; L81-V93 PolarHBondContact N-O 3.24Å; D82-V93 HydrophobicContact CB-CB 3.97Å; D82-V93 HydrophobicContact CB-CG2 3.97Å; D82-V93 PolarHBondContact O-N 3.1Å; F84-V93 HydrophobicContact CD1-CG2 3.94Å; F84-V93 HydrophobicContact CE1-CG2 3.57Å
94F94.5Very high88.5Confident13 Ų1333.6 Ų33.66%0.05717%0.166CC..EExtended strand (participates in β ladder)trans-127.4162.6179.6-58-82.9000110.9V41 A42 K44 L69 L78 T79 L80 L92 F96V41-F94 CarbonylContact C-O 3.49Å; V41-F94 VanDerWaalsContact CA-O 3.31Å; V41-F94 WeakPolarHBondContact CA-O 3.46Å; V41-F94 VanDerWaalsContact CB-O 3.31Å; V41-F94 WeakPolarHBondContact CB-O 3.38Å; A42-F94 PolarHBondContact N-O 3.23Å; A42-F94 PolarHBondContact O-N 3.41Å; K44-F94 HydrophobicContact CB-CE2 4.11Å; K44-F94 HydrophobicContact CD-CE2 4.4Å; L69-F94 HydrophobicContact CD1-CE1 3.74Å; L69-F94 HydrophobicContact CD1-CZ 3.62Å; L69-F94 HydrophobicContact CD2-CE1 4.16Å; L78-F94 HydrophobicContact CD1-CB 4.42Å; L78-F94 HydrophobicContact CD2-CB 3.99Å; L78-F94 HydrophobicContact CD2-CD1 3.66Å; L78-F94 HydrophobicContact CD2-CD2 4.45Å; L78-F94 HydrophobicContact CD2-CE1 4.21Å; L78-F94 HydrophobicContact CD2-CG 3.79Å; L78-F94 HydrophobicContact CG-CB 4.13Å; L78-F94 HydrophobicContact CG-CD1 3.71Å; L78-F94 HydrophobicContact CG-CE1 4.44Å; L78-F94 HydrophobicContact CG-CG 4.15Å; T79-F94 WeakPolarHBondContact O-CD1 3.42Å; L80-F94 HydrophobicContact CB-CE1 4.1Å; L80-F94 HydrophobicContact CD1-CD1 4.47Å; L80-F94 HydrophobicContact CD1-CE1 3.92Å; L80-F94 HydrophobicContact CD1-CZ 3.97Å; L92-F94 HydrophobicContact CB-CD2 4.4Å; L92-F94 HydrophobicContact CB-CE2 3.52Å; L92-F94 HydrophobicContact CB-CZ 3.87Å; L92-F94 HydrophobicContact CD1-CE2 4.4Å; L92-F94 HydrophobicContact CD1-CZ 4.22Å; F94-F96 PolarHBondContact O-N 2.92Å
95D92.4Very high88.9Confident32 Ų3233.2 Ų33.217%0.17116%0.164CC..EExtended strand (participates in β ladder)trans-54.1138163.3-69.8-42.4000109.7M97 K155D95-M97 PolarHBondContact O-N 3.2Å; D95-K155 IonicContact OD2-NZ 3.46Å; D95-K155 PolarHBondContact OD2-NZ 3.01Å
96F92.4Very high89.5Confident47 Ų4736.5 Ų36.521%0.20618%0.177CC..  trans-69.8127.5170.7171.7-109.6000110.4L20 L30 L40 F94 V320L20-F96 HydrophobicContact CD1-CD2 4.37Å; L20-F96 HydrophobicContact CD1-CE2 4.3Å; L30-F96 HydrophobicContact CD1-CB 4.2Å; L30-F96 HydrophobicContact CD1-CD1 4.42Å; L30-F96 HydrophobicContact CD1-CD2 3.47Å; L30-F96 VanDerWaalsContact CD1-CD2 3.47Å; L30-F96 HydrophobicContact CD1-CE2 3.95Å; L30-F96 HydrophobicContact CD1-CG 3.75Å; L40-F96 HydrophobicContact CB-CB 3.95Å; L40-F96 HydrophobicContact CB-CD1 4.29Å; L40-F96 HydrophobicContact CB-CG 4.32Å; L40-F96 HydrophobicContact CD1-CD1 4.36Å; L40-F96 WeakPolarHBondContact O-CB 3.12Å; L40-F96 PolarHBondContact O-N 3.15Å; F94-F96 PolarHBondContact O-N 2.92Å; F96-V320 HydrophobicContact CE1-CG1 4.38Å; F96-V320 HydrophobicContact CE2-CG1 3.95Å; F96-V320 HydrophobicContact CZ-CB 4.37Å; F96-V320 HydrophobicContact CZ-CG1 3.49Å; F96-V320 VanDerWaalsContact CZ-CG1 3.49Å
97M92.8Very high90.4Very high19 Ų1933.7 Ų33.79%0.09417%0.165CC..  trans-106.6132.3176-59.2-63.6-71.900109L78 D95 S99 F147 S149 K155L78-M97 HydrophobicContact CD1-CG 3.81Å; L78-M97 HydrophobicContact CD1-SD 4.2Å; D95-M97 PolarHBondContact O-N 3.2Å; M97-S99 VanDerWaalsContact C-N 3.28Å; M97-S99 PolarHBondContact O-N 3.4Å; M97-F147 HydrophobicContact CB-CB 3.68Å; M97-F147 HydrophobicContact CB-CD1 4.08Å; M97-F147 HydrophobicContact CB-CG 4.21Å; M97-F147 HydrophobicContact CE-CB 3.67Å; M97-F147 VanDerWaalsContact CE-O 3.32Å; M97-F147 WeakPolarHBondContact CE-O 3.44Å; M97-F147 HydrophobicContact CG-CB 3.58Å; M97-F147 HydrophobicContact CG-CD1 4.42Å; M97-F147 HydrophobicContact CG-CG 4.14Å; M97-F147 HydrophobicContact SD-CB 4.47Å; M97-S149 VanDerWaalsContact CE-N 3.35Å; M97-K155 HydrophobicContact CE-CB 3.97Å; M97-K155 HydrophobicContact CE-CD 4.13Å; M97-K155 HydrophobicContact CE-CG 3.92Å; M97-K155 HydrophobicContact SD-CD 4.11Å
98S88.1Confident91.2Very high25 Ų2534.1 Ų34.118%0.17517%0.174CC..SBendtrans-72.4-21-171.649.20000113.8L148 K150 N317S98-L148 PolarHBondContact N-O 3.42Å; S98-L148 PolarHBondContact OG-O 2.7Å; S98-K150 PolarHBondContact OG-N 3.13Å; S98-N317 PolarHBondContact O-ND2 3.26Å
99S92.2Very high92.1Very high7 Ų728.4 Ų28.45%0.04916%0.16CC..EExtended strand (participates in β ladder)trans-163.3-172.5178.5-160.90000110.9M97 A103 F147 L148 P314 N317M97-S99 VanDerWaalsContact C-N 3.28Å; M97-S99 PolarHBondContact O-N 3.4Å; S99-A103 WeakPolarHBondContact OG-CB 3.43Å; S99-F147 CarbonylContact O-C 3.56Å; S99-F147 WeakPolarHBondContact O-CA 3.5Å; S99-L148 PolarHBondContact N-O 2.98Å; S99-L148 PolarHBondContact O-N 3.2Å; S99-P314 WeakPolarHBondContact OG-CG 3.21Å; S99-N317 VanDerWaalsContact CA-ND2 3.3Å; S99-N317 WeakPolarHBondContact CA-ND2 3.22Å; S99-N317 VanDerWaalsContact CB-ND2 3.32Å; S99-N317 WeakPolarHBondContact CB-ND2 3.48Å; S99-N317 PolarHBondContact OG-ND2 3.04Å; S99-N317 VanDerWaalsContact OG-ND2 3.11Å
100D94.5Very high92.9Very high37 Ų3728 Ų2820%0.19816%0.157CC..EExtended strand (participates in β ladder)trans-124.4174.216355.562.1000111E102 A103 L104 L146D100-E102 WeakPolarHBondContact OD1-CA 3.32Å; D100-E102 WeakPolarHBondContact OD1-CB 3.18Å; D100-E102 PolarHBondContact OD1-N 3.26Å; D100-A103 PolarHBondContact OD1-N 3.39Å; D100-L104 PolarHBondContact O-N 2.98Å; D100-L146 CarbonylContact C-O 3.58Å; D100-L146 VanDerWaalsContact CA-O 3.23Å; D100-L146 WeakPolarHBondContact CA-O 3.06Å
101L96.5Very high93.4Very high0 Ų032.7 Ų32.70%019%0.186CC..Hα-helixtrans-76.6-20179.8-63.3-167.7000113.2L104 V105 L120 P143 L146 L148 V154 F210L101-L104 HydrophobicContact CD2-CD2 3.94Å; L101-L104 PolarHBondContact O-N 2.89Å; L101-V105 WeakPolarHBondContact O-CB 2.97Å; L101-V105 WeakPolarHBondContact O-CG2 3.26Å; L101-V105 PolarHBondContact O-N 3.12Å; L101-L120 HydrophobicContact CD1-CD2 4.46Å; L101-L120 HydrophobicContact CD2-CD2 3.85Å; L101-P143 HydrophobicContact CB-CB 4.3Å; L101-P143 PolarHBondContact N-O 3.25Å; L101-L146 HydrophobicContact CB-CB 4.13Å; L101-L146 HydrophobicContact CD1-CB 3.74Å; L101-L146 HydrophobicContact CD1-CD1 3.77Å; L101-L146 HydrophobicContact CD1-CG 4.43Å; L101-L146 HydrophobicContact CG-CB 3.74Å; L101-L146 WeakPolarHBondContact CG-O 3.43Å; L101-L146 PolarHBondContact N-O 3.37Å; L101-L148 HydrophobicContact CD2-CB 4.25Å; L101-V154 HydrophobicContact CD1-CG1 4Å; L101-V154 HydrophobicContact CD1-CG2 4.43Å; L101-V154 HydrophobicContact CD2-CG2 4.16Å; L101-V154 HydrophobicContact CG-CG1 4.43Å; L101-F210 HydrophobicContact CB-CE1 4.48Å; L101-F210 HydrophobicContact CD1-CE1 4.02Å; L101-F210 HydrophobicContact CD1-CZ 3.64Å
102E95.3Very high93.8Very high68 Ų6833.8 Ų33.832%0.31819%0.192SC..Hα-helixtrans-62.9-50.7172.2-173173.9-102.900109.5D100 L104 V105 H106 P143 N144D100-E102 WeakPolarHBondContact OD1-CA 3.32Å; D100-E102 WeakPolarHBondContact OD1-CB 3.18Å; D100-E102 PolarHBondContact OD1-N 3.26Å; E102-L104 VanDerWaalsContact C-N 3.31Å; E102-L104 PolarHBondContact O-N 3.36Å; E102-V105 PolarHBondContact O-N 3.26Å; E102-V105 VanDerWaalsContact O-N 3.15Å; E102-H106 WeakPolarHBondContact O-CB 3.22Å; E102-H106 PolarHBondContact O-N 3.31Å; E102-P143 HydrophobicContact CB-CB 3.86Å; E102-P143 PolarHBondContact N-O 2.94Å; E102-N144 HydrophobicContact CB-CB 3.95Å
103A94Very high94.1Very high23 Ų2337.6 Ų37.619%0.1921%0.211CC..Hα-helixtrans-60.5-38176.100000112.5S99 D100 D107 P314S99-A103 WeakPolarHBondContact OG-CB 3.43Å; D100-A103 PolarHBondContact OD1-N 3.39Å; A103-D107 VanDerWaalsContact O-CB 3.32Å; A103-D107 WeakPolarHBondContact O-CB 3.29Å; A103-D107 PolarHBondContact O-N 2.98Å; A103-P314 HydrophobicContact CB-CB 4.42Å; A103-P314 HydrophobicContact CB-CG 4.2Å; A103-P314 WeakPolarHBondContact O-CB 3.38Å
104L95.5Very high94.3Very high1 Ų141.3 Ų41.31%0.00524%0.236CC..Hα-helixtrans-66.9-42.4174.8-17770.8000112.1D100 L101 E102 V110 L112 L120 L148 R213 P312 P314D100-L104 PolarHBondContact O-N 2.98Å; L101-L104 HydrophobicContact CD2-CD2 3.94Å; L101-L104 PolarHBondContact O-N 2.89Å; E102-L104 VanDerWaalsContact C-N 3.31Å; E102-L104 PolarHBondContact O-N 3.36Å; L104-V110 HydrophobicContact CD1-CG1 3.89Å; L104-V110 HydrophobicContact CD1-CG2 4.35Å; L104-L112 HydrophobicContact CD2-CD2 4.29Å; L104-L112 HydrophobicContact CG-CD2 4.47Å; L104-L120 HydrophobicContact CD2-CD1 3.86Å; L104-L120 HydrophobicContact CD2-CD2 4.29Å; L104-L148 HydrophobicContact CD1-CD2 4.43Å; L104-L148 HydrophobicContact CD2-CD2 4.13Å; L104-R213 PolarHBondContact O-NH2 2.95Å; L104-P312 HydrophobicContact CD1-CB 4.35Å; L104-P312 HydrophobicContact CD1-CG 4.24Å; L104-P312 WeakPolarHBondContact CD1-O 3.37Å; L104-P314 HydrophobicContact CB-CG 4.47Å
105V95.6Very high94.4Very high0 Ų041.3 Ų41.30%024%0.238CC..Hα-helixtrans-79.7-25.8-171.9178.50000112.4L101 E102 L112 E209 F210 R213L101-V105 WeakPolarHBondContact O-CB 2.97Å; L101-V105 WeakPolarHBondContact O-CG2 3.26Å; L101-V105 PolarHBondContact O-N 3.12Å; E102-V105 PolarHBondContact O-N 3.26Å; E102-V105 VanDerWaalsContact O-N 3.15Å; V105-L112 HydrophobicContact CG2-CD1 4.28Å; V105-E209 HydrophobicContact CG1-CG 3.9Å; V105-E209 WeakPolarHBondContact CG1-O 3.46Å; V105-F210 HydrophobicContact CG2-CD1 3.42Å; V105-F210 VanDerWaalsContact CG2-CD1 3.42Å; V105-F210 HydrophobicContact CG2-CE1 3.73Å; V105-R213 VanDerWaalsContact C-CZ 3.44Å; V105-R213 VanDerWaalsContact C-NH2 3.33Å; V105-R213 VanDerWaalsContact CA-NH1 3.31Å; V105-R213 PolarHBondContact O-NE 3.41Å; V105-R213 PolarHBondContact O-NH1 3.26Å; V105-R213 PolarHBondContact O-NH2 2.81Å
106H94.5Very high94.7Very high85 Ų8540.9 Ų40.939%0.39424%0.235SC..Hα-helixtrans-99.7-3.7177.6-62.1174.5000113.5E102 P108 E209E102-H106 WeakPolarHBondContact O-CB 3.22Å; E102-H106 PolarHBondContact O-N 3.31Å; H106-P108 WeakPolarHBondContact O-CD 3.37Å; H106-E209 IonicContact CD2-OE1 3.85Å; H106-E209 IonicContact CE1-OE1 3.54Å; H106-E209 IonicContact NE2-OE1 2.76Å; H106-E209 PolarHBondContact NE2-OE1 3.12Å
107D94.1Very high95Very high4 Ų438.8 Ų38.82%0.02123%0.226CC..  trans-70.1112.9172.5-170.9-27.1000110.3A103 T109 V110 R213 P314 K315A103-D107 VanDerWaalsContact O-CB 3.32Å; A103-D107 WeakPolarHBondContact O-CB 3.29Å; A103-D107 PolarHBondContact O-N 2.98Å; D107-T109 PolarHBondContact O-N 3.22Å; D107-T109 WeakPolarHBondContact OD1-CA 3.09Å; D107-T109 VanDerWaalsContact OD1-CB 3.27Å; D107-T109 WeakPolarHBondContact OD1-CB 3.27Å; D107-T109 PolarHBondContact OD1-N 2.75Å; D107-T109 PolarHBondContact OD1-OG1 2.98Å; D107-T109 PolarHBondContact OD2-OG1 3.14Å; D107-V110 HydrophobicContact CB-CB 4.3Å; D107-V110 HydrophobicContact CB-CG2 3.98Å; D107-V110 PolarHBondContact O-N 3.03Å; D107-R213 PolarHBondContact O-NH2 3.47Å; D107-P314 HydrophobicContact CB-CB 4.18Å; D107-P314 WeakPolarHBondContact OD2-CA 3.49Å; D107-K315 PolarHBondContact OD2-N 3.47Å
108P93.4Very high95.2Very high123 Ų12338 Ų3880%0.79922%0.221SC*.THydrogen-bonded Turntrans-71.9-10.9-178.831.4-36.3000112.8H106H106-P108 WeakPolarHBondContact O-CD 3.37Å
109T93.6Very high95.7Very high74 Ų7437 Ų3745%0.45422%0.215SC..THydrogen-bonded Turntrans-89-8177.676.30000113.2D107 K315D107-T109 PolarHBondContact O-N 3.22Å; D107-T109 WeakPolarHBondContact OD1-CA 3.09Å; D107-T109 VanDerWaalsContact OD1-CB 3.27Å; D107-T109 WeakPolarHBondContact OD1-CB 3.27Å; D107-T109 PolarHBondContact OD1-N 2.75Å; D107-T109 PolarHBondContact OD1-OG1 2.98Å; D107-T109 PolarHBondContact OD2-OG1 3.14Å; T109-K315 HydrophobicContact CG2-CD 4.33Å; T109-K315 VanDerWaalsContact OG1-CD 3.27Å; T109-K315 WeakPolarHBondContact OG1-CD 3.33Å; T109-K315 WeakPolarHBondContact OG1-CE 3.41Å
110V94.7Very high96Very high14 Ų1436.6 Ų36.69%0.08521%0.212CC..  trans-99.9129.3177.7172.40000110.1L104 D107 L112 R213 P312L104-V110 HydrophobicContact CD1-CG1 3.89Å; L104-V110 HydrophobicContact CD1-CG2 4.35Å; D107-V110 HydrophobicContact CB-CB 4.3Å; D107-V110 HydrophobicContact CB-CG2 3.98Å; D107-V110 PolarHBondContact O-N 3.03Å; V110-L112 HydrophobicContact CG1-CD2 4.1Å; V110-R213 PolarHBondContact O-NH2 2.95Å; V110-P312 HydrophobicContact CG1-CB 3.7Å; V110-P312 HydrophobicContact CG1-CG 3.85Å
111V95.1Very high96.2Very high111 Ų11134.9 Ų34.967%0.67320%0.203SC*.  trans-100.4118.5171.8-179.50000109.4I113 H116V111-I113 HydrophobicContact CG1-CG2 4.17Å; V111-H116 PolarHBondContact O-ND1 2.66Å; V111-H116 VanDerWaalsContact O-ND1 3.14Å
112L96.3Very high96.3Very high27 Ų2736 Ų3614%0.14121%0.209CC..  trans-91100.1169.8-66-171.7000110.1L104 V105 V110 H116 V117 L120 F210 P312L104-L112 HydrophobicContact CD2-CD2 4.29Å; L104-L112 HydrophobicContact CG-CD2 4.47Å; V105-L112 HydrophobicContact CG2-CD1 4.28Å; V110-L112 HydrophobicContact CG1-CD2 4.1Å; L112-H116 HydrophobicContact CB-CB 4.43Å; L112-H116 HydrophobicContact CD2-CB 3.88Å; L112-V117 HydrophobicContact CB-CG2 4.19Å; L112-L120 HydrophobicContact CD1-CD1 4.23Å; L112-L120 HydrophobicContact CD2-CD1 4.32Å; L112-F210 HydrophobicContact CD1-CB 4.35Å; L112-P312 HydrophobicContact CD2-CG 3.75Å
113I96.9Very high96.5Very high80 Ų8033 Ų3341%0.4120%0.195SC..  trans-73.2162169.569.6177.6000109.9V111 A115 H116 V117V111-I113 HydrophobicContact CG1-CG2 4.17Å; I113-A115 HydrophobicContact CD1-CB 4.15Å; I113-A115 HydrophobicContact CG1-CB 4.16Å; I113-A115 PolarHBondContact O-N 3.16Å; I113-A115 VanDerWaalsContact O-N 3.07Å; I113-H116 HydrophobicContact CG1-CB 4.45Å; I113-H116 PolarHBondContact N-ND1 2.67Å; I113-H116 WeakPolarHBondContact O-CA 3.38Å; I113-H116 WeakPolarHBondContact O-CB 3.44Å; I113-H116 PolarHBondContact O-N 3.43Å; I113-V117 PolarHBondContact O-N 3.2Å
114P97.3Very high96.7Very high78 Ų7832 Ų3251%0.50619%0.186SC..Hα-helixtrans-53.5-33.8-178.7-29.936.5000114.8V117 K118 P303P114-V117 PolarHBondContact O-N 3.49Å; P114-K118 WeakPolarHBondContact O-CB 3.32Å; P114-K118 PolarHBondContact O-N 3.49Å; P114-P303 HydrophobicContact CB-CG 3.99Å
115A98Very high96.9Very high12 Ų1231.9 Ų31.910%0.09919%0.186CC..Hα-helixtrans-66.5-34.1175.700000113.4I113 A119 P303 Y304 T306I113-A115 HydrophobicContact CD1-CB 4.15Å; I113-A115 HydrophobicContact CG1-CB 4.16Å; I113-A115 PolarHBondContact O-N 3.16Å; I113-A115 VanDerWaalsContact O-N 3.07Å; A115-A119 WeakPolarHBondContact O-CB 3.44Å; A115-A119 PolarHBondContact O-N 2.84Å; A115-P303 HydrophobicContact CB-CB 4.37Å; A115-Y304 VanDerWaalsContact CB-O 3.31Å; A115-Y304 WeakPolarHBondContact CB-O 3.32Å; A115-T306 VanDerWaalsContact C-OG1 3.31Å; A115-T306 WeakPolarHBondContact CB-OG1 3.26Å; A115-T306 PolarHBondContact O-N 3.22Å; A115-T306 VanDerWaalsContact O-N 3.11Å
116H98.1Very high97Very high24 Ų2437.2 Ų37.211%0.11121%0.206CC..Hα-helixtrans-66.2-49.3172.7-59.1160.5000110.3V111 L112 I113 K118 A119 L120 T306 L311V111-H116 PolarHBondContact O-ND1 2.66Å; V111-H116 VanDerWaalsContact O-ND1 3.14Å; L112-H116 HydrophobicContact CB-CB 4.43Å; L112-H116 HydrophobicContact CD2-CB 3.88Å; I113-H116 HydrophobicContact CG1-CB 4.45Å; I113-H116 PolarHBondContact N-ND1 2.67Å; I113-H116 WeakPolarHBondContact O-CA 3.38Å; I113-H116 WeakPolarHBondContact O-CB 3.44Å; I113-H116 PolarHBondContact O-N 3.43Å; H116-K118 VanDerWaalsContact C-N 3.25Å; H116-K118 PolarHBondContact O-N 3.41Å; H116-A119 PolarHBondContact O-N 3.38Å; H116-A119 VanDerWaalsContact O-N 3.16Å; H116-L120 WeakPolarHBondContact O-CG 3.18Å; H116-L120 PolarHBondContact O-N 3.47Å; H116-T306 PolarHBondContact CD2-OG1 3.42Å; H116-T306 PolarHBondContact N-OG1 2.93Å; H116-L311 HydrophobicContact CB-CD2 4.26Å
117V98.1Very high97.2Very high3 Ų333.1 Ų33.12%0.01819%0.187CC..Hα-helixtrans-56.2-43.9178.2179.50000110.4L112 I113 P114 L120 S121 F210 L211L112-V117 HydrophobicContact CB-CG2 4.19Å; I113-V117 PolarHBondContact O-N 3.2Å; P114-V117 PolarHBondContact O-N 3.49Å; V117-L120 PolarHBondContact O-N 3.45Å; V117-S121 VanDerWaalsContact O-CB 3.28Å; V117-S121 WeakPolarHBondContact O-CB 3.43Å; V117-S121 PolarHBondContact O-N 2.88Å; V117-S121 PolarHBondContact O-OG 3.31Å; V117-F210 HydrophobicContact CG1-CB 4.05Å; V117-F210 HydrophobicContact CG1-CD2 4.21Å; V117-F210 HydrophobicContact CG2-CB 4.21Å; V117-L211 HydrophobicContact CG1-CD2 4.21Å; V117-L211 HydrophobicContact CG2-CD2 4.33Å
118K98.5Very high97.4Very high1 Ų133 Ų330%0.00419%0.186CC..Hα-helixtrans-62.1-45.4177.8-165.7174.4-67.4-1630112.4P114 H116 S121 L122 Y298 F299 S301 P303 P305P114-K118 WeakPolarHBondContact O-CB 3.32Å; P114-K118 PolarHBondContact O-N 3.49Å; H116-K118 VanDerWaalsContact C-N 3.25Å; H116-K118 PolarHBondContact O-N 3.41Å; K118-S121 PolarHBondContact O-N 2.82Å; K118-L122 VanDerWaalsContact O-CB 3.26Å; K118-L122 WeakPolarHBondContact O-CB 3.26Å; K118-L122 PolarHBondContact O-N 3.35Å; K118-Y298 WeakPolarHBondContact CA-OH 3.49Å; K118-Y298 HydrophobicContact CB-CE1 4.03Å; K118-Y298 WeakPolarHBondContact CB-OH 3.28Å; K118-Y298 VanDerWaalsContact CD-O 3.31Å; K118-Y298 WeakPolarHBondContact CD-O 3.28Å; K118-Y298 VanDerWaalsContact CE-CE2 3.46Å; K118-Y298 WeakPolarHBondContact CE-O 3.28Å; K118-Y298 HydrophobicContact CG-CD1 4.3Å; K118-Y298 HydrophobicContact CG-CE1 3.74Å; K118-Y298 HydrophobicContact CG-CE2 4.48Å; K118-Y298 PolarHBondContact N-OH 3.36Å; K118-Y298 PolarHBondContact NZ-O 3.08Å; K118-F299 HydrophobicContact CG-CD1 3.95Å; K118-F299 HydrophobicContact CG-CE1 4.22Å; K118-S301 PolarHBondContact NZ-O 3.06Å; K118-S301 PolarHBondContact NZ-OG 3.39Å; K118-S301 VanDerWaalsContact NZ-OG 3.11Å; K118-P303 VanDerWaalsContact CD-O 3.26Å; K118-P303 WeakPolarHBondContact CD-O 3.49Å; K118-P303 WeakPolarHBondContact CE-O 3.31Å; K118-P303 PolarHBondContact NZ-O 2.9Å; K118-P305 HydrophobicContact CD-CG 4.08Å; K118-P305 HydrophobicContact CG-CG 4.02Å
119A98.5Very high97.7Very high4 Ų430.6 Ų30.63%0.03316%0.164CC..Hα-helixtrans-64.9-43.417800000113.2A115 H116 L122 Q123 P305 T306 L311A115-A119 WeakPolarHBondContact O-CB 3.44Å; A115-A119 PolarHBondContact O-N 2.84Å; H116-A119 PolarHBondContact O-N 3.38Å; H116-A119 VanDerWaalsContact O-N 3.16Å; A119-L122 PolarHBondContact O-N 2.81Å; A119-Q123 WeakPolarHBondContact O-CG 3.29Å; A119-Q123 PolarHBondContact O-N 3.46Å; A119-Q123 VanDerWaalsContact O-N 3.11Å; A119-P305 HydrophobicContact CB-CB 3.87Å; A119-T306 WeakPolarHBondContact CB-O 3.41Å; A119-L311 HydrophobicContact CB-CD1 4.43Å; A119-L311 HydrophobicContact CB-CD2 3.98Å
120L98.6Very high97.9Very high0 Ų029.4 Ų29.40%015%0.152CC..Hα-helixtrans-64-45176.4-64.8173.4000111.3L101 L104 L112 H116 V117 L122 Q123 L124 V154 F210 L311L101-L120 HydrophobicContact CD1-CD2 4.46Å; L101-L120 HydrophobicContact CD2-CD2 3.85Å; L104-L120 HydrophobicContact CD2-CD1 3.86Å; L104-L120 HydrophobicContact CD2-CD2 4.29Å; L112-L120 HydrophobicContact CD1-CD1 4.23Å; L112-L120 HydrophobicContact CD2-CD1 4.32Å; H116-L120 WeakPolarHBondContact O-CG 3.18Å; H116-L120 PolarHBondContact O-N 3.47Å; V117-L120 PolarHBondContact O-N 3.45Å; L120-L122 PolarHBondContact O-N 2.83Å; L120-Q123 PolarHBondContact O-N 2.82Å; L120-L124 WeakPolarHBondContact O-CB 3.38Å; L120-L124 PolarHBondContact O-N 3.39Å; L120-V154 HydrophobicContact CD2-CG2 3.7Å; L120-F210 HydrophobicContact CB-CD2 4.26Å; L120-F210 HydrophobicContact CB-CE2 3.7Å; L120-F210 HydrophobicContact CB-CZ 4.13Å; L120-L311 HydrophobicContact CD2-CD1 4.28Å; L120-L311 HydrophobicContact CD2-CD2 4.35Å; L120-L311 HydrophobicContact CG-CD2 4.38Å
121S98.6Very high98Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-62.2-42.4178.1-54.80000111.9V117 K118 L124 L125 I207V117-S121 VanDerWaalsContact O-CB 3.28Å; V117-S121 WeakPolarHBondContact O-CB 3.43Å; V117-S121 PolarHBondContact O-N 2.88Å; V117-S121 PolarHBondContact O-OG 3.31Å; K118-S121 PolarHBondContact O-N 2.82Å; S121-L124 PolarHBondContact O-N 2.83Å; S121-L125 WeakPolarHBondContact O-CB 3.38Å; S121-L125 PolarHBondContact O-N 3.5Å; S121-I207 WeakPolarHBondContact OG-CG1 3.5Å
122L98.6Very high98Very high23 Ų2324.4 Ų24.412%0.1212%0.12CC..Hα-helixtrans-63-45.7178.6-178.263.3000111.7K118 A119 L120 R126 L294 F299 P305K118-L122 VanDerWaalsContact O-CB 3.26Å; K118-L122 WeakPolarHBondContact O-CB 3.26Å; K118-L122 PolarHBondContact O-N 3.35Å; A119-L122 PolarHBondContact O-N 2.81Å; L120-L122 PolarHBondContact O-N 2.83Å; L122-R126 WeakPolarHBondContact O-CB 3.07Å; L122-R126 VanDerWaalsContact O-CG 3.29Å; L122-R126 WeakPolarHBondContact O-CG 3.29Å; L122-R126 PolarHBondContact O-N 3.45Å; L122-L294 HydrophobicContact CD1-CD2 3.56Å; L122-F299 HydrophobicContact CB-CD1 4Å; L122-F299 HydrophobicContact CB-CE1 3.83Å; L122-F299 HydrophobicContact CD1-CD1 3.89Å; L122-F299 HydrophobicContact CD1-CE1 4.28Å; L122-F299 HydrophobicContact CD1-CG 4.19Å; L122-F299 HydrophobicContact CG-CD1 4.44Å; L122-P305 HydrophobicContact CD2-CB 4.42Å; L122-P305 HydrophobicContact CD2-CG 3.92Å
123Q98.7Very high98Very high7 Ų726.4 Ų26.43%0.03314%0.141CC..Hα-helixtrans-64.8-41.3177.6-72.1-170.873.200112.2N76 A119 L120 G127 G152 V154N76-Q123 VanDerWaalsContact CB-O 3.31Å; N76-Q123 WeakPolarHBondContact CB-O 3.31Å; N76-Q123 WeakPolarHBondContact ND2-CB 3.47Å; N76-Q123 PolarHBondContact ND2-OE1 2.89Å; A119-Q123 WeakPolarHBondContact O-CG 3.29Å; A119-Q123 PolarHBondContact O-N 3.46Å; A119-Q123 VanDerWaalsContact O-N 3.11Å; L120-Q123 PolarHBondContact O-N 2.82Å; Q123-G127 PolarHBondContact O-N 2.9Å; Q123-G127 VanDerWaalsContact O-N 3.13Å; Q123-G152 PolarHBondContact NE2-O 3.35Å; Q123-G152 PolarHBondContact OE1-O 3.13Å; Q123-V154 HydrophobicContact CB-CB 3.95Å; Q123-V154 HydrophobicContact CB-CG2 4.34Å
124L98.8Very high97.8Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-60.1-52.9175.1173.856000111.3L120 S121 R126 G127 V128 L146 I156 V203 I206L120-L124 WeakPolarHBondContact O-CB 3.38Å; L120-L124 PolarHBondContact O-N 3.39Å; S121-L124 PolarHBondContact O-N 2.83Å; L124-R126 VanDerWaalsContact C-N 3.34Å; L124-R126 PolarHBondContact O-N 2.97Å; L124-G127 PolarHBondContact O-N 2.94Å; L124-G127 VanDerWaalsContact O-N 3.13Å; L124-V128 HydrophobicContact CD1-CG2 4.01Å; L124-V128 WeakPolarHBondContact O-CG2 3.35Å; L124-V128 PolarHBondContact O-N 2.82Å; L124-L146 HydrophobicContact CD1-CD1 3.79Å; L124-L146 HydrophobicContact CD1-CD2 3.62Å; L124-L146 HydrophobicContact CD1-CG 4.38Å; L124-L146 HydrophobicContact CD2-CD1 3.91Å; L124-L146 HydrophobicContact CG-CD1 4.38Å; L124-I156 HydrophobicContact CD1-CD1 4.18Å; L124-I156 HydrophobicContact CD1-CG1 4.23Å; L124-V203 HydrophobicContact CD1-CG2 4.43Å; L124-V203 HydrophobicContact CD2-CB 4.38Å; L124-V203 HydrophobicContact CD2-CG1 3.99Å; L124-V203 HydrophobicContact CD2-CG2 4.07Å; L124-V203 HydrophobicContact CG-CG1 4.36Å; L124-V203 HydrophobicContact CG-CG2 4.08Å; L124-I206 HydrophobicContact CD2-CB 4.28Å; L124-I206 HydrophobicContact CD2-CD1 4.29Å; L124-I206 HydrophobicContact CD2-CG2 3.86Å
125L98.8Very high97.6Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-62-39.1-178.6-79.8168.3000112.7S121 G127 V128 E129 V203 A290 A293 L294 F299S121-L125 WeakPolarHBondContact O-CB 3.38Å; S121-L125 PolarHBondContact O-N 3.5Å; L125-G127 VanDerWaalsContact C-N 3.33Å; L125-G127 PolarHBondContact O-N 3.45Å; L125-V128 PolarHBondContact O-N 3.39Å; L125-E129 VanDerWaalsContact O-CB 3.31Å; L125-E129 WeakPolarHBondContact O-CB 3.25Å; L125-E129 PolarHBondContact O-N 2.89Å; L125-V203 HydrophobicContact CD2-CG1 3.86Å; L125-V203 HydrophobicContact CG-CG1 4.17Å; L125-A290 HydrophobicContact CD2-CB 4.18Å; L125-A293 HydrophobicContact CD1-CB 3.93Å; L125-A293 HydrophobicContact CD2-CB 3.75Å; L125-L294 HydrophobicContact CB-CD1 4.44Å; L125-L294 HydrophobicContact CB-CD2 3.67Å; L125-L294 HydrophobicContact CB-CG 3.9Å; L125-L294 HydrophobicContact CD1-CD2 4.44Å; L125-F299 HydrophobicContact CD1-CE2 3.54Å; L125-F299 HydrophobicContact CD1-CZ 3.5Å; L125-F299 VanDerWaalsContact CD1-CZ 3.5Å
126R98.7Very high97.3Very high111 Ų11126.6 Ų26.642%0.41913%0.128SC..Hα-helixtrans-60.7-41.7173.4-76173.8173.9172.5-1.3112.4H74 L122 L124 Y130 L294H74-R126 PolarHBondContact CE1-O 3.47Å; L122-R126 WeakPolarHBondContact O-CB 3.07Å; L122-R126 VanDerWaalsContact O-CG 3.29Å; L122-R126 WeakPolarHBondContact O-CG 3.29Å; L122-R126 PolarHBondContact O-N 3.45Å; L124-R126 VanDerWaalsContact C-N 3.34Å; L124-R126 PolarHBondContact O-N 2.97Å; R126-Y130 WeakPolarHBondContact O-CB 3.26Å; R126-Y130 PolarHBondContact O-N 2.89Å; R126-Y130 VanDerWaalsContact O-N 3.12Å; R126-L294 HydrophobicContact CG-CD1 4.36Å; R126-L294 HydrophobicContact CG-CD2 4.11Å
127G98.5Very high97.1Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-62.9-44.6174.200000112.2Q123 L124 L125 Y130 L131 I156Q123-G127 PolarHBondContact O-N 2.9Å; Q123-G127 VanDerWaalsContact O-N 3.13Å; L124-G127 PolarHBondContact O-N 2.94Å; L124-G127 VanDerWaalsContact O-N 3.13Å; L125-G127 VanDerWaalsContact C-N 3.33Å; L125-G127 PolarHBondContact O-N 3.45Å; G127-Y130 PolarHBondContact O-N 3.38Å; G127-L131 WeakPolarHBondContact O-CG 3.37Å; G127-L131 PolarHBondContact O-N 3.16Å; G127-L131 VanDerWaalsContact O-N 3.1Å; G127-I156 VanDerWaalsContact C-CD1 3.45Å
128V98.5Very high97Very high1 Ų125.3 Ų25.31%0.00612%0.122CC..Hα-helixtrans-67.5-43.1179.8176.50000111.7L124 L125 Y130 L131 H132 L141 I156 D199 I200 V203 A290L124-V128 HydrophobicContact CD1-CG2 4.01Å; L124-V128 WeakPolarHBondContact O-CG2 3.35Å; L124-V128 PolarHBondContact O-N 2.82Å; L125-V128 PolarHBondContact O-N 3.39Å; V128-Y130 VanDerWaalsContact C-N 3.33Å; V128-Y130 PolarHBondContact O-N 2.97Å; V128-L131 PolarHBondContact O-N 3.11Å; V128-H132 WeakPolarHBondContact CG1-CE1 3.35Å; V128-H132 WeakPolarHBondContact O-CB 3.49Å; V128-H132 VanDerWaalsContact O-CG 3.29Å; V128-H132 PolarHBondContact O-N 3.27Å; V128-L141 HydrophobicContact CG2-CD1 3.75Å; V128-I156 HydrophobicContact CG2-CD1 3.74Å; V128-D199 HydrophobicContact CG1-CB 4.44Å; V128-I200 HydrophobicContact CG1-CD1 4.32Å; V128-V203 HydrophobicContact CG2-CG2 3.94Å; V128-A290 HydrophobicContact CB-CB 4.21Å; V128-A290 HydrophobicContact CG1-CB 3.91Å
129E98.5Very high96.8Very high72 Ų7226 Ų2634%0.33613%0.125SC..Hα-helixtrans-55-48.9174.2179.1-172.1-131.200110.9L125 L131 H132 A133 A290 A291 L294L125-E129 VanDerWaalsContact O-CB 3.31Å; L125-E129 WeakPolarHBondContact O-CB 3.25Å; L125-E129 PolarHBondContact O-N 2.89Å; E129-L131 PolarHBondContact O-N 2.83Å; E129-H132 PolarHBondContact O-N 2.91Å; E129-A133 WeakPolarHBondContact O-CB 3.35Å; E129-A133 PolarHBondContact O-N 2.88Å; E129-A290 HydrophobicContact CB-CB 3.88Å; E129-A291 HydrophobicContact CG-CB 4.37Å; E129-A291 WeakPolarHBondContact OE1-CB 3.33Å; E129-L294 HydrophobicContact CB-CD1 3.99Å; E129-L294 VanDerWaalsContact CD-CD1 3.46Å; E129-L294 HydrophobicContact CG-CD1 4.26Å; E129-L294 VanDerWaalsContact OE2-CD1 3.29Å; E129-L294 WeakPolarHBondContact OE2-CD1 3.26Å
130Y98Very high96.6Very high49 Ų4926.4 Ų26.419%0.19213%0.126CC..Hα-helixtrans-59-44.9177.1175.1-92.4000112.4I72 D73 H74 V77 R126 G127 V128 A133 N134I72-Y130 WeakPolarHBondContact CA-OH 3.48Å; I72-Y130 HydrophobicContact CB-CE1 3.94Å; I72-Y130 HydrophobicContact CG2-CE1 4.1Å; D73-Y130 PolarHBondContact N-OH 3.23Å; D73-Y130 PolarHBondContact O-OH 3.36Å; H74-Y130 HydrophobicContact CB-CD1 3.54Å; H74-Y130 HydrophobicContact CB-CD2 3.89Å; H74-Y130 HydrophobicContact CB-CE1 3.71Å; H74-Y130 HydrophobicContact CB-CE2 4.03Å; H74-Y130 HydrophobicContact CB-CG 3.63Å; H74-Y130 AromaticContact CD2-CD2 3.52Å; H74-Y130 AromaticContact CD2-CG 3.59Å; H74-Y130 AromaticContact CG-CD1 3.94Å; H74-Y130 AromaticContact CG-CD2 3.87Å; H74-Y130 AromaticContact CG-CG 3.57Å; V77-Y130 HydrophobicContact CG2-CD1 4.09Å; R126-Y130 WeakPolarHBondContact O-CB 3.26Å; R126-Y130 PolarHBondContact O-N 2.89Å; R126-Y130 VanDerWaalsContact O-N 3.12Å; G127-Y130 PolarHBondContact O-N 3.38Å; V128-Y130 VanDerWaalsContact C-N 3.33Å; V128-Y130 PolarHBondContact O-N 2.97Å; Y130-A133 PolarHBondContact O-N 3.08Å; Y130-N134 WeakPolarHBondContact CE2-ND2 3.45Å; Y130-N134 PolarHBondContact O-N 2.99Å; Y130-N134 VanDerWaalsContact O-N 3.11Å; Y130-N134 PolarHBondContact O-ND2 2.88Å
131L97Very high96.5Very high2 Ų226.5 Ų26.51%0.0113%0.127CC..Hα-helixtrans-62.7-45177.7-68.7176.2000111.5I72 V77 G127 V128 E129 N134 W135 I136 H138 I156 F159I72-L131 HydrophobicContact CG2-CD2 4.37Å; V77-L131 HydrophobicContact CG1-CD2 4.37Å; V77-L131 HydrophobicContact CG2-CD2 4.17Å; V77-L131 HydrophobicContact CG2-CG 4.18Å; G127-L131 WeakPolarHBondContact O-CG 3.37Å; G127-L131 PolarHBondContact O-N 3.16Å; G127-L131 VanDerWaalsContact O-N 3.1Å; V128-L131 PolarHBondContact O-N 3.11Å; E129-L131 PolarHBondContact O-N 2.83Å; L131-N134 CarbonylContact O-C 3.57Å; L131-N134 PolarHBondContact O-N 3.23Å; L131-N134 VanDerWaalsContact O-N 3.16Å; L131-W135 PolarHBondContact O-N 2.95Å; L131-I136 CarbonylContact C-O 3.49Å; L131-I136 HydrophobicContact CB-CB 4.36Å; L131-I136 HydrophobicContact CD2-CB 4.44Å; L131-I136 HydrophobicContact CD2-CD1 4.34Å; L131-I136 HydrophobicContact CD2-CG2 4.23Å; L131-I136 WeakPolarHBondContact O-CB 3.04Å; L131-I136 PolarHBondContact O-N 3.03Å; L131-H138 HydrophobicContact CD1-CB 4.42Å; L131-I156 HydrophobicContact CD1-CD1 4.09Å; L131-I156 HydrophobicContact CD1-CG2 4.19Å; L131-F159 HydrophobicContact CD1-CE1 3.81Å; L131-F159 HydrophobicContact CD1-CZ 4.07Å; L131-F159 HydrophobicContact CD2-CE1 3.58Å; L131-F159 HydrophobicContact CD2-CZ 3.92Å; L131-F159 HydrophobicContact CG-CE1 4.36Å
132H96.2Very high96.5Very high19 Ų1927.9 Ų27.99%0.08813%0.133CC..Hα-helixtrans-66.2-39.1-179.9-68.6179.8000111.9V128 E129 N134 W135 I136 V196 D199V128-H132 WeakPolarHBondContact CG1-CE1 3.35Å; V128-H132 WeakPolarHBondContact O-CB 3.49Å; V128-H132 VanDerWaalsContact O-CG 3.29Å; V128-H132 PolarHBondContact O-N 3.27Å; E129-H132 PolarHBondContact O-N 2.91Å; H132-N134 PolarHBondContact O-N 3.41Å; H132-W135 WeakPolarHBondContact O-CA 3.35Å; H132-W135 PolarHBondContact O-N 2.8Å; H132-I136 PolarHBondContact CD2-O 3.07Å; H132-V196 HydrophobicContact CB-CG1 4.01Å; H132-V196 WeakPolarHBondContact ND1-CG1 3.41Å; H132-D199 IonicContact CD2-OD2 3.98Å; H132-D199 IonicContact CE1-OD2 3.89Å; H132-D199 IonicContact NE2-OD2 3.78Å; H132-D199 PolarHBondContact NE2-OD2 3.17Å
133A95Very high96.4Very high69 Ų6926.8 Ų26.857%0.5713%0.127SC*.Hα-helixtrans-63.9-29173.500000112.9E129 Y130 W135E129-A133 WeakPolarHBondContact O-CB 3.35Å; E129-A133 PolarHBondContact O-N 2.88Å; Y130-A133 PolarHBondContact O-N 3.08Å; A133-W135 VanDerWaalsContact C-N 3.26Å
134N93.3Very high96.1Very high62 Ų6228.8 Ų28.833%0.33214%0.138SC..THydrogen-bonded Turntrans-90.516172.3-73-80.9000113Y130 L131 H132 I136Y130-N134 WeakPolarHBondContact CE2-ND2 3.45Å; Y130-N134 PolarHBondContact O-N 2.99Å; Y130-N134 VanDerWaalsContact O-N 3.11Å; Y130-N134 PolarHBondContact O-ND2 2.88Å; L131-N134 CarbonylContact O-C 3.57Å; L131-N134 PolarHBondContact O-N 3.23Å; L131-N134 VanDerWaalsContact O-N 3.16Å; H132-N134 PolarHBondContact O-N 3.41Å; N134-I136 HydrophobicContact CB-CD1 3.97Å; N134-I136 PolarHBondContact O-N 3.15Å
135W92.4Very high96Very high109 Ų10929.2 Ų29.241%0.41314%0.141SC..THydrogen-bonded Turntrans58.533.6177-50.494.2000113.9L131 H132 A133 Q164 F165 A166 L399L131-W135 PolarHBondContact O-N 2.95Å; H132-W135 WeakPolarHBondContact O-CA 3.35Å; H132-W135 PolarHBondContact O-N 2.8Å; A133-W135 VanDerWaalsContact C-N 3.26Å; W135-Q164 CarbonylContact O-C 3.16Å; W135-Q164 VanDerWaalsContact O-CA 3.22Å; W135-Q164 WeakPolarHBondContact O-CA 3.33Å; W135-F165 HydrophobicContact CB-CD1 4.35Å; W135-F165 HydrophobicContact CB-CE1 4.23Å; W135-F165 HydrophobicContact CB-CZ 4.39Å; W135-F165 HydrophobicContact CD2-CE2 4.44Å; W135-F165 AromaticContact CE3-CD2 3.9Å; W135-F165 HydrophobicContact CE3-CD2 3.9Å; W135-F165 AromaticContact CE3-CE2 3.36Å; W135-F165 HydrophobicContact CE3-CE2 3.36Å; W135-F165 AromaticContact CE3-CZ 3.8Å; W135-F165 HydrophobicContact CE3-CZ 3.8Å; W135-F165 AromaticContact CZ3-CE2 3.84Å; W135-F165 HydrophobicContact CZ3-CE2 3.84Å; W135-F165 HydrophobicContact CZ3-CZ 4.49Å; W135-F165 WeakPolarHBondContact O-CD1 3.4Å; W135-F165 WeakPolarHBondContact O-CE1 3.41Å; W135-F165 PolarHBondContact O-N 2.91Å; W135-A166 HydrophobicContact CB-CB 3.62Å; W135-A166 HydrophobicContact CD2-CB 3.74Å; W135-A166 HydrophobicContact CE3-CB 4.04Å; W135-A166 HydrophobicContact CG-CB 3.54Å; W135-L399 HydrophobicContact CZ3-CD2 4.33Å
136I92.7Very high95.9Very high2 Ų229.2 Ų29.21%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-109.9120.6177.9-64.6155.1000109.2I68 I72 L131 H132 N134 A162 Q164I68-I136 HydrophobicContact CG2-CD1 3.82Å; I68-I136 HydrophobicContact CG2-CG1 4.21Å; I68-I136 HydrophobicContact CG2-CG2 4.16Å; I72-I136 HydrophobicContact CG2-CD1 3.49Å; I72-I136 VanDerWaalsContact CG2-CD1 3.49Å; L131-I136 CarbonylContact C-O 3.49Å; L131-I136 HydrophobicContact CB-CB 4.36Å; L131-I136 HydrophobicContact CD2-CB 4.44Å; L131-I136 HydrophobicContact CD2-CD1 4.34Å; L131-I136 HydrophobicContact CD2-CG2 4.23Å; L131-I136 WeakPolarHBondContact O-CB 3.04Å; L131-I136 PolarHBondContact O-N 3.03Å; H132-I136 PolarHBondContact CD2-O 3.07Å; N134-I136 HydrophobicContact CB-CD1 3.97Å; N134-I136 PolarHBondContact O-N 3.15Å; I136-A162 HydrophobicContact CG2-CB 4.24Å; I136-Q164 HydrophobicContact CG1-CG 4.44Å
137L94Very high95.8Very high0 Ų026.6 Ų26.60%013%0.132CC..EExtended strand (participates in β ladder)trans-88.2131.7162.6-61.6179.6000108.9R139 A162 R163 F165 M173 Y194 V196L137-R139 HydrophobicContact CB-CG 3.61Å; L137-A162 VanDerWaalsContact O-CA 3.27Å; L137-A162 WeakPolarHBondContact O-CA 3.42Å; L137-R163 PolarHBondContact N-O 3.31Å; L137-R163 PolarHBondContact O-N 3.17Å; L137-F165 HydrophobicContact CB-CD1 4.49Å; L137-F165 HydrophobicContact CD1-CB 4.45Å; L137-F165 HydrophobicContact CD1-CD1 4.35Å; L137-F165 HydrophobicContact CD2-CD1 3.9Å; L137-F165 HydrophobicContact CD2-CE1 3.78Å; L137-F165 HydrophobicContact CD2-CZ 4.46Å; L137-F165 HydrophobicContact CG-CB 4.46Å; L137-F165 HydrophobicContact CG-CD1 3.54Å; L137-F165 HydrophobicContact CG-CE1 3.95Å; L137-F165 HydrophobicContact CG-CG 4.17Å; L137-M173 HydrophobicContact CD1-CE 4.15Å; L137-Y194 HydrophobicContact CD1-CD2 4.02Å; L137-Y194 HydrophobicContact CD1-CE2 4.06Å; L137-V196 HydrophobicContact CD2-CB 4.43Å; L137-V196 HydrophobicContact CD2-CG1 3.99Å
138H94.5Very high95.6Very high1 Ų126.6 Ų26.61%0.00513%0.132CC..  trans-74.5-49178.2-172.2-88.4000111.1L131 D140 L141 I156 G157 D158 F159 D199L131-H138 HydrophobicContact CD1-CB 4.42Å; H138-D140 PolarHBondContact CE1-O 3.04Å; H138-D140 VanDerWaalsContact CE1-O 3.3Å; H138-D140 PolarHBondContact ND1-N 3.33Å; H138-D140 PolarHBondContact ND1-O 3.09Å; H138-D140 PolarHBondContact O-N 3.12Å; H138-L141 HydrophobicContact CB-CD1 4.48Å; H138-L141 HydrophobicContact CB-CD2 4.06Å; H138-L141 HydrophobicContact CB-CG 3.93Å; H138-L141 PolarHBondContact ND1-N 3.48Å; H138-I156 VanDerWaalsContact CD2-CG2 3.49Å; H138-I156 WeakPolarHBondContact CD2-CG2 3.37Å; H138-G157 PolarHBondContact NE2-O 3.4Å; H138-D158 PolarHBondContact NE2-O 2.97Å; H138-F159 AromaticContact CD2-CE1 3.82Å; H138-D199 PolarHBondContact N-OD2 3.38Å
139R94.3Very high95.4Very high16 Ų1627.1 Ų27.16%0.0614%0.136CC..  trans65.97174.6-44.3-167.3-65.7158.83.9116.7L137 L161 V177 A178 Y194 I198 D199L137-R139 HydrophobicContact CB-CG 3.61Å; R139-L161 PolarHBondContact NE-O 3.15Å; R139-L161 PolarHBondContact NH2-O 3.11Å; R139-V177 HydrophobicContact CB-CB 4.38Å; R139-V177 HydrophobicContact CB-CG2 4.27Å; R139-A178 WeakPolarHBondContact O-CA 3.26Å; R139-A178 VanDerWaalsContact O-CB 3.26Å; R139-A178 WeakPolarHBondContact O-CB 3.14Å; R139-A178 PolarHBondContact O-N 3.22Å; R139-Y194 PolarHBondContact NH1-OH 2.86Å; R139-I198 HydrophobicContact CB-CD1 4.28Å; R139-I198 HydrophobicContact CG-CD1 3.84Å; R139-D199 PolarHBondContact N-OD1 2.94Å
140D94.7Very high95.1Very high11 Ų1131.6 Ų31.66%0.05915%0.154CC..  trans-150.245.9169.1-163.735.7000111.7H138 K142 N145 L161 A178 T179H138-D140 PolarHBondContact CE1-O 3.04Å; H138-D140 VanDerWaalsContact CE1-O 3.3Å; H138-D140 PolarHBondContact ND1-N 3.33Å; H138-D140 PolarHBondContact ND1-O 3.09Å; H138-D140 PolarHBondContact O-N 3.12Å; D140-K142 PolarHBondContact O-N 2.94Å; D140-K142 IonicContact OD1-NZ 3.17Å; D140-K142 WeakPolarHBondContact OD2-CE 3.49Å; D140-K142 IonicContact OD2-NZ 2.97Å; D140-K142 PolarHBondContact OD2-NZ 3.01Å; D140-N145 PolarHBondContact O-ND2 3.49Å; D140-N145 PolarHBondContact OD2-ND2 3.3Å; D140-L161 HydrophobicContact CB-CB 4.41Å; D140-L161 HydrophobicContact CB-CD1 3.92Å; D140-A178 WeakPolarHBondContact OD1-CA 3.41Å; D140-T179 PolarHBondContact OD1-N 3.07Å; D140-T179 PolarHBondContact OD1-OG1 3.22Å
141L97.8Very high95Very high2 Ų235 Ų351%0.0117%0.172CC..  trans-69.4129.4173-70173.6000109.7V128 H138 L146 I156 Y182 D199 A202 V203 I206V128-L141 HydrophobicContact CG2-CD1 3.75Å; H138-L141 HydrophobicContact CB-CD1 4.48Å; H138-L141 HydrophobicContact CB-CD2 4.06Å; H138-L141 HydrophobicContact CB-CG 3.93Å; H138-L141 PolarHBondContact ND1-N 3.48Å; L141-L146 HydrophobicContact CD2-CD2 4.37Å; L141-I156 HydrophobicContact CD2-CD1 4.44Å; L141-I156 HydrophobicContact CD2-CG2 3.8Å; L141-Y182 WeakPolarHBondContact O-CB 3.49Å; L141-D199 HydrophobicContact CD1-CB 3.76Å; L141-A202 HydrophobicContact CB-CB 3.78Å; L141-V203 HydrophobicContact CD1-CG2 4.02Å; L141-I206 HydrophobicContact CB-CD1 4.14Å
142K96.6Very high94.9Very high30 Ų3034.9 Ų34.913%0.1317%0.171CC..  trans-167.1159.9178.352.2179.4170.8-161.90109.1D140 N144 N145 T179 Y182D140-K142 PolarHBondContact O-N 2.94Å; D140-K142 IonicContact OD1-NZ 3.17Å; D140-K142 WeakPolarHBondContact OD2-CE 3.49Å; D140-K142 IonicContact OD2-NZ 2.97Å; D140-K142 PolarHBondContact OD2-NZ 3.01Å; K142-N144 VanDerWaalsContact C-N 3.3Å; K142-N144 WeakPolarHBondContact CD-OD1 3.32Å; K142-N144 WeakPolarHBondContact CE-OD1 3.44Å; K142-N144 WeakPolarHBondContact CG-OD1 3.38Å; K142-N144 PolarHBondContact O-N 2.91Å; K142-N145 WeakPolarHBondContact CE-ND2 3.14Å; K142-N145 HydrophobicContact CG-CB 4.08Å; K142-N145 PolarHBondContact O-N 3.25Å; K142-T179 HydrophobicContact CD-CG2 4.25Å; K142-T179 VanDerWaalsContact CD-OG1 3.28Å; K142-T179 WeakPolarHBondContact CD-OG1 3.35Å; K142-T179 WeakPolarHBondContact CE-OG1 3.49Å; K142-T179 PolarHBondContact NZ-OG1 2.85Å; K142-Y182 HydrophobicContact CB-CD2 3.52Å; K142-Y182 HydrophobicContact CB-CE2 3.57Å; K142-Y182 HydrophobicContact CB-CG 4.07Å
143P96.7Very high95Very high0 Ų038 Ų380%018%0.184CC..G310 helixtrans-56.4-35.8-172.1-2836.7000115.1L101 E102 N145 L146 Y182 I206 E209L101-P143 HydrophobicContact CB-CB 4.3Å; L101-P143 PolarHBondContact N-O 3.25Å; E102-P143 HydrophobicContact CB-CB 3.86Å; E102-P143 PolarHBondContact N-O 2.94Å; P143-N145 VanDerWaalsContact C-N 3.29Å; P143-N145 PolarHBondContact O-N 3.19Å; P143-L146 PolarHBondContact O-N 3.15Å; P143-L146 VanDerWaalsContact O-N 3.13Å; P143-Y182 WeakPolarHBondContact CD-OH 3.49Å; P143-Y182 HydrophobicContact CG-CE1 4.16Å; P143-I206 HydrophobicContact CG-CG1 4.33Å; P143-E209 WeakPolarHBondContact CG-OE2 3.42Å
144N93.2Very high95.1Very high49 Ų4934.7 Ų34.726%0.26216%0.157SC..G310 helixtrans-76.1-11.9178.564.312.8000114.8E102 K142E102-N144 HydrophobicContact CB-CB 3.95Å; K142-N144 VanDerWaalsContact C-N 3.3Å; K142-N144 WeakPolarHBondContact CD-OD1 3.32Å; K142-N144 WeakPolarHBondContact CE-OD1 3.44Å; K142-N144 WeakPolarHBondContact CG-OD1 3.38Å; K142-N144 PolarHBondContact O-N 2.91Å
145N95.8Very high95.3Very high9 Ų932.9 Ų32.95%0.04815%0.146CC..G310 helixtrans-932.3169.6-75.9-4.9000112.3D140 K142 P143 G157D140-N145 PolarHBondContact O-ND2 3.49Å; D140-N145 PolarHBondContact OD2-ND2 3.3Å; K142-N145 WeakPolarHBondContact CE-ND2 3.14Å; K142-N145 HydrophobicContact CG-CB 4.08Å; K142-N145 PolarHBondContact O-N 3.25Å; P143-N145 VanDerWaalsContact C-N 3.29Å; P143-N145 PolarHBondContact O-N 3.19Å; N145-G157 PolarHBondContact O-N 3.05Å
146L97.4Very high95.6Very high0 Ų027.7 Ų27.70%013%0.127CC..EExtended strand (participates in β ladder)trans-107.896.6176.1-57.9-177.8000109.1D100 L101 L124 L141 P143 V154 I156 I206D100-L146 CarbonylContact C-O 3.58Å; D100-L146 VanDerWaalsContact CA-O 3.23Å; D100-L146 WeakPolarHBondContact CA-O 3.06Å; L101-L146 HydrophobicContact CB-CB 4.13Å; L101-L146 HydrophobicContact CD1-CB 3.74Å; L101-L146 HydrophobicContact CD1-CD1 3.77Å; L101-L146 HydrophobicContact CD1-CG 4.43Å; L101-L146 HydrophobicContact CG-CB 3.74Å; L101-L146 WeakPolarHBondContact CG-O 3.43Å; L101-L146 PolarHBondContact N-O 3.37Å; L124-L146 HydrophobicContact CD1-CD1 3.79Å; L124-L146 HydrophobicContact CD1-CD2 3.62Å; L124-L146 HydrophobicContact CD1-CG 4.38Å; L124-L146 HydrophobicContact CD2-CD1 3.91Å; L124-L146 HydrophobicContact CG-CD1 4.38Å; L141-L146 HydrophobicContact CD2-CD2 4.37Å; P143-L146 PolarHBondContact O-N 3.15Å; P143-L146 VanDerWaalsContact O-N 3.13Å; L146-V154 HydrophobicContact CB-CG1 4.24Å; L146-I156 HydrophobicContact CD2-CB 4.33Å; L146-I156 HydrophobicContact CD2-CG1 3.76Å; L146-I156 HydrophobicContact CD2-CG2 4.48Å; L146-I206 HydrophobicContact CD1-CD1 4.03Å; L146-I206 HydrophobicContact CD1-CG2 3.97Å
147F96Very high95.6Very high56 Ų5627.6 Ų27.625%0.24613%0.126CC..EExtended strand (participates in β ladder)trans-79.4140-175.2-64.3-82.9000111.7L78 M97 S99 V154 K155L78-F147 HydrophobicContact CD2-CD2 4.25Å; L78-F147 HydrophobicContact CD2-CE2 4.27Å; M97-F147 HydrophobicContact CB-CB 3.68Å; M97-F147 HydrophobicContact CB-CD1 4.08Å; M97-F147 HydrophobicContact CB-CG 4.21Å; M97-F147 HydrophobicContact CE-CB 3.67Å; M97-F147 VanDerWaalsContact CE-O 3.32Å; M97-F147 WeakPolarHBondContact CE-O 3.44Å; M97-F147 HydrophobicContact CG-CB 3.58Å; M97-F147 HydrophobicContact CG-CD1 4.42Å; M97-F147 HydrophobicContact CG-CG 4.14Å; M97-F147 HydrophobicContact SD-CB 4.47Å; S99-F147 CarbonylContact O-C 3.56Å; S99-F147 WeakPolarHBondContact O-CA 3.5Å; F147-V154 CarbonylContact O-C 3.54Å; F147-V154 VanDerWaalsContact O-CA 3.23Å; F147-V154 WeakPolarHBondContact O-CA 3.3Å; F147-K155 PolarHBondContact N-O 3.36Å; F147-K155 PolarHBondContact O-N 2.78Å
148L95.8Very high95.2Very high0 Ų030.3 Ų30.30%014%0.141CC..EExtended strand (participates in β ladder)trans-113.2124.4178.2-17865.7000110.5S98 S99 L101 L104 V154S98-L148 PolarHBondContact N-O 3.42Å; S98-L148 PolarHBondContact OG-O 2.7Å; S99-L148 PolarHBondContact N-O 2.98Å; S99-L148 PolarHBondContact O-N 3.2Å; L101-L148 HydrophobicContact CD2-CB 4.25Å; L104-L148 HydrophobicContact CD1-CD2 4.43Å; L104-L148 HydrophobicContact CD2-CD2 4.13Å; L148-V154 HydrophobicContact CD1-CG2 4.03Å
149S94Very high94.7Very high11 Ų1130.4 Ų30.48%0.07714%0.141CC..  trans-84.3163.217366.70000111.7M97 Q151 G152 K153 Q313M97-S149 VanDerWaalsContact CE-N 3.35Å; S149-Q151 PolarHBondContact O-N 2.84Å; S149-Q151 VanDerWaalsContact O-N 3.17Å; S149-G152 PolarHBondContact O-N 3.13Å; S149-K153 PolarHBondContact N-O 3.4Å; S149-K153 WeakPolarHBondContact OG-CA 3.28Å; S149-K153 VanDerWaalsContact OG-CB 3.28Å; S149-K153 WeakPolarHBondContact OG-CB 3.16Å; S149-K153 PolarHBondContact OG-N 2.85Å; S149-K153 PolarHBondContact OG-O 2.97Å; S149-K153 VanDerWaalsContact OG-O 3.13Å; S149-Q313 PolarHBondContact O-NE2 2.83Å; S149-Q313 VanDerWaalsContact O-NE2 3.12Å
150K92.4Very high93.8Very high167 Ų16730.5 Ų30.573%0.72615%0.147SC*.THydrogen-bonded Turntrans-62.6-23.8177.4-172.4175.9179.7179.70112.5S98 G152S98-K150 PolarHBondContact OG-N 3.13Å; K150-G152 VanDerWaalsContact C-N 3.31Å
151Q94.5Very high92.8Very high120 Ų12033.2 Ų33.256%0.56116%0.161SC*.THydrogen-bonded Turntrans-87.82177-63.575.120.800112.9S149 E308 N309S149-Q151 PolarHBondContact O-N 2.84Å; S149-Q151 VanDerWaalsContact O-N 3.17Å; Q151-E308 CarbonylContact O-C 3.59Å; Q151-E308 WeakPolarHBondContact O-CB 3.22Å; Q151-N309 PolarHBondContact O-N 3.48Å
152G95.5Very high91.7Very high0 Ų033.1 Ų33.10%016%0.161CC..SBendtrans83.210.1178.900000115.9Q123 S149 K150 E308 L311Q123-G152 PolarHBondContact NE2-O 3.35Å; Q123-G152 PolarHBondContact OE1-O 3.13Å; S149-G152 PolarHBondContact O-N 3.13Å; K150-G152 VanDerWaalsContact C-N 3.31Å; G152-E308 VanDerWaalsContact CA-O 3.31Å; G152-E308 WeakPolarHBondContact CA-O 3.4Å; G152-L311 VanDerWaalsContact O-CD1 3.24Å; G152-L311 WeakPolarHBondContact O-CD1 3.04Å
153K97.4Very high90.8Very high83 Ų8334.3 Ų34.336%0.36117%0.165SC..  trans-74.7128170.3-60.3-172173-170.60111.2S149 E308S149-K153 PolarHBondContact N-O 3.4Å; S149-K153 WeakPolarHBondContact OG-CA 3.28Å; S149-K153 VanDerWaalsContact OG-CB 3.28Å; S149-K153 WeakPolarHBondContact OG-CB 3.16Å; S149-K153 PolarHBondContact OG-N 2.85Å; S149-K153 PolarHBondContact OG-O 2.97Å; S149-K153 VanDerWaalsContact OG-O 3.13Å; K153-E308 VanDerWaalsContact CE-OE2 3.22Å; K153-E308 WeakPolarHBondContact CE-OE2 3.32Å; K153-E308 WeakPolarHBondContact CG-OE2 3.5Å
154V98Very high89.8Confident1 Ų137.3 Ų37.31%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-94.7126.8171.6-179.90000109N76 L101 L120 Q123 L146 F147 L148N76-V154 VanDerWaalsContact CA-O 3.26Å; N76-V154 WeakPolarHBondContact CA-O 3.48Å; N76-V154 WeakPolarHBondContact CB-O 3.38Å; N76-V154 PolarHBondContact ND2-O 2.8Å; L101-V154 HydrophobicContact CD1-CG1 4Å; L101-V154 HydrophobicContact CD1-CG2 4.43Å; L101-V154 HydrophobicContact CD2-CG2 4.16Å; L101-V154 HydrophobicContact CG-CG1 4.43Å; L120-V154 HydrophobicContact CD2-CG2 3.7Å; Q123-V154 HydrophobicContact CB-CB 3.95Å; Q123-V154 HydrophobicContact CB-CG2 4.34Å; L146-V154 HydrophobicContact CB-CG1 4.24Å; F147-V154 CarbonylContact O-C 3.54Å; F147-V154 VanDerWaalsContact O-CA 3.23Å; F147-V154 WeakPolarHBondContact O-CA 3.3Å; L148-V154 HydrophobicContact CD1-CG2 4.03Å
155K98Very high89.1Confident23 Ų2335.9 Ų35.910%0.117%0.17CC..EExtended strand (participates in β ladder)trans-124.1127.9177.1-64.7-169.4173.4-163.80110.9P75 N76 L78 D95 M97 F147P75-K155 WeakPolarHBondContact O-CG 3.49Å; N76-K155 WeakPolarHBondContact O-CA 3.38Å; L78-K155 HydrophobicContact CB-CB 4.4Å; L78-K155 HydrophobicContact CD1-CB 4.36Å; L78-K155 HydrophobicContact CD1-CD 4.05Å; D95-K155 IonicContact OD2-NZ 3.46Å; D95-K155 PolarHBondContact OD2-NZ 3.01Å; M97-K155 HydrophobicContact CE-CB 3.97Å; M97-K155 HydrophobicContact CE-CD 4.13Å; M97-K155 HydrophobicContact CE-CG 3.92Å; M97-K155 HydrophobicContact SD-CD 4.11Å; F147-K155 PolarHBondContact N-O 3.36Å; F147-K155 PolarHBondContact O-N 2.78Å
156I98Very high87.5Confident1 Ų137.7 Ų37.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-70.6129.1171.5-57.6170.9000108.9N76 L78 L124 G127 V128 L131 H138 L141 L146 F159N76-I156 PolarHBondContact O-N 2.96Å; L78-I156 WeakPolarHBondContact CB-O 2.99Å; L78-I156 PolarHBondContact N-O 2.93Å; L124-I156 HydrophobicContact CD1-CD1 4.18Å; L124-I156 HydrophobicContact CD1-CG1 4.23Å; G127-I156 VanDerWaalsContact C-CD1 3.45Å; V128-I156 HydrophobicContact CG2-CD1 3.74Å; L131-I156 HydrophobicContact CD1-CD1 4.09Å; L131-I156 HydrophobicContact CD1-CG2 4.19Å; H138-I156 VanDerWaalsContact CD2-CG2 3.49Å; H138-I156 WeakPolarHBondContact CD2-CG2 3.37Å; L141-I156 HydrophobicContact CD2-CD1 4.44Å; L141-I156 HydrophobicContact CD2-CG2 3.8Å; L146-I156 HydrophobicContact CD2-CB 4.33Å; L146-I156 HydrophobicContact CD2-CG1 3.76Å; L146-I156 HydrophobicContact CD2-CG2 4.48Å; I156-F159 HydrophobicContact CG2-CZ 4.27Å
157G93.1Very high85.6Confident0 Ų042.7 Ų42.70%022%0.221CC..  trans-137.5-174.1175.400000113.3H138 N145H138-G157 PolarHBondContact NE2-O 3.4Å; N145-G157 PolarHBondContact O-N 3.05Å
158D86Confident83.8Confident57 Ų5742.5 Ų42.531%0.30523%0.227SC..  trans59.673.5-173.2-159.315.5000115.3K44 H138 G160K44-D158 IonicContact NZ-OD1 2.88Å; K44-D158 PolarHBondContact NZ-OD1 3.31Å; H138-D158 PolarHBondContact NE2-O 2.97Å; D158-G160 PolarHBondContact O-N 2.8Å
159F84.1Confident82.2Confident3 Ų345.9 Ų45.91%0.01325%0.249CC..G310 helixtrans-83.616.7179-68.4-94.8000113.3E65 I68 L69 I72 V77 L131 H138 I156 L161 A162E65-F159 HydrophobicContact CG-CB 4.14Å; I68-F159 HydrophobicContact CG2-CD1 4.05Å; L69-F159 HydrophobicContact CD2-CD2 3.49Å; L69-F159 VanDerWaalsContact CD2-CD2 3.49Å; L69-F159 HydrophobicContact CD2-CE2 3.93Å; L69-F159 HydrophobicContact CD2-CG 4.15Å; L69-F159 HydrophobicContact CG-CD2 4.36Å; I72-F159 HydrophobicContact CD1-CD2 4.5Å; I72-F159 HydrophobicContact CD1-CE1 4.16Å; I72-F159 HydrophobicContact CD1-CE2 4.01Å; I72-F159 HydrophobicContact CD1-CZ 3.85Å; V77-F159 HydrophobicContact CG1-CE2 3.9Å; V77-F159 HydrophobicContact CG1-CZ 3.53Å; L131-F159 HydrophobicContact CD1-CE1 3.81Å; L131-F159 HydrophobicContact CD1-CZ 4.07Å; L131-F159 HydrophobicContact CD2-CE1 3.58Å; L131-F159 HydrophobicContact CD2-CZ 3.92Å; L131-F159 HydrophobicContact CG-CE1 4.36Å; H138-F159 AromaticContact CD2-CE1 3.82Å; I156-F159 HydrophobicContact CG2-CZ 4.27Å; F159-L161 PolarHBondContact O-N 3.03Å; F159-L161 VanDerWaalsContact O-N 3.09Å; F159-A162 HydrophobicContact CB-CB 3.81Å; F159-A162 HydrophobicContact CD1-CB 3.65Å; F159-A162 HydrophobicContact CG-CB 4.22Å; F159-A162 WeakPolarHBondContact O-CB 3.38Å; F159-A162 PolarHBondContact O-N 3.1Å
160G75.5Confident81Confident18 Ų1850.4 Ų50.419%0.18628%0.276CS..G310 helixtrans-59-25.7-177.300000113.8D158D158-G160 PolarHBondContact O-N 2.8Å
161L73.2Confident80.2Confident67 Ų6749.6 Ų49.635%0.35127%0.269SS..G310 helixtrans-106.13.3174-64.2179.4000113.5R139 D140 F159R139-L161 PolarHBondContact NE-O 3.15Å; R139-L161 PolarHBondContact NH2-O 3.11Å; D140-L161 HydrophobicContact CB-CB 4.41Å; D140-L161 HydrophobicContact CB-CD1 3.92Å; F159-L161 PolarHBondContact O-N 3.03Å; F159-L161 VanDerWaalsContact O-N 3.09Å
162A74.3Confident79.3Confident0 Ų047.9 Ų47.90%027%0.268CS..  trans-68.9155.1-177.800000112.8R64 I68 I136 L137 F159R64-A162 WeakPolarHBondContact CD-O 3.24Å; I68-A162 HydrophobicContact CD1-CB 3.71Å; I136-A162 HydrophobicContact CG2-CB 4.24Å; L137-A162 VanDerWaalsContact O-CA 3.27Å; L137-A162 WeakPolarHBondContact O-CA 3.42Å; F159-A162 HydrophobicContact CB-CB 3.81Å; F159-A162 HydrophobicContact CD1-CB 3.65Å; F159-A162 HydrophobicContact CG-CB 4.22Å; F159-A162 WeakPolarHBondContact O-CB 3.38Å; F159-A162 PolarHBondContact O-N 3.1Å
163R78.5Confident78.7Confident56 Ų5648.8 Ų48.821%0.21127%0.272CS..EExtended strand (participates in β ladder)trans-148.9136.5-179.4-173.5162.4178158-9112.4L137 M173L137-R163 PolarHBondContact N-O 3.31Å; L137-R163 PolarHBondContact O-N 3.17Å; R163-M173 HydrophobicContact CG-SD 4.43Å
164Q74.7Confident77.8Confident62 Ų6248.6 Ų48.629%0.2928%0.278SS..EExtended strand (participates in β ladder)trans-72.3129.3167.7-69.3179.7-43.600109.8I68 E71 W135 I136I68-Q164 HydrophobicContact CG1-CG 4.48Å; E71-Q164 PolarHBondContact OE2-NE2 3.37Å; W135-Q164 CarbonylContact O-C 3.16Å; W135-Q164 VanDerWaalsContact O-CA 3.22Å; W135-Q164 WeakPolarHBondContact O-CA 3.33Å; I136-Q164 HydrophobicContact CG1-CG 4.44Å
165F80Confident76.8Confident19 Ų1951 Ų518%0.08329%0.289CS..  trans-111.4-14.2-177.166.8-88.9000115.1W135 L137 S167 V196 L399W135-F165 HydrophobicContact CB-CD1 4.35Å; W135-F165 HydrophobicContact CB-CE1 4.23Å; W135-F165 HydrophobicContact CB-CZ 4.39Å; W135-F165 HydrophobicContact CD2-CE2 4.44Å; W135-F165 AromaticContact CE3-CD2 3.9Å; W135-F165 HydrophobicContact CE3-CD2 3.9Å; W135-F165 AromaticContact CE3-CE2 3.36Å; W135-F165 HydrophobicContact CE3-CE2 3.36Å; W135-F165 AromaticContact CE3-CZ 3.8Å; W135-F165 HydrophobicContact CE3-CZ 3.8Å; W135-F165 AromaticContact CZ3-CE2 3.84Å; W135-F165 HydrophobicContact CZ3-CE2 3.84Å; W135-F165 HydrophobicContact CZ3-CZ 4.49Å; W135-F165 WeakPolarHBondContact O-CD1 3.4Å; W135-F165 WeakPolarHBondContact O-CE1 3.41Å; W135-F165 PolarHBondContact O-N 2.91Å; L137-F165 HydrophobicContact CB-CD1 4.49Å; L137-F165 HydrophobicContact CD1-CB 4.45Å; L137-F165 HydrophobicContact CD1-CD1 4.35Å; L137-F165 HydrophobicContact CD2-CD1 3.9Å; L137-F165 HydrophobicContact CD2-CE1 3.78Å; L137-F165 HydrophobicContact CD2-CZ 4.46Å; L137-F165 HydrophobicContact CG-CB 4.46Å; L137-F165 HydrophobicContact CG-CD1 3.54Å; L137-F165 HydrophobicContact CG-CE1 3.95Å; L137-F165 HydrophobicContact CG-CG 4.17Å; F165-S167 PolarHBondContact O-N 3.04Å; F165-V196 HydrophobicContact CZ-CG1 4.01Å; F165-L399 HydrophobicContact CD2-CD2 4.09Å; F165-L399 HydrophobicContact CE2-CD2 4.05Å
166A62.3Low76.1Confident48 Ų4856.4 Ų56.440%0.39732%0.315SS..THydrogen-bonded Turntrans-56.8-44.7179.700000114.1W135 S168W135-A166 HydrophobicContact CB-CB 3.62Å; W135-A166 HydrophobicContact CD2-CB 3.74Å; W135-A166 HydrophobicContact CE3-CB 4.04Å; W135-A166 HydrophobicContact CG-CB 3.54Å; A166-S168 VanDerWaalsContact C-N 3.25Å; A166-S168 PolarHBondContact O-N 3.33Å
167S56.5Low75Confident105 Ų10556.8 Ų56.873%0.73432%0.317SS*.THydrogen-bonded Turntrans-80-5-167.7-45.70000114F165F165-S167 PolarHBondContact O-N 3.04Å
168S58.1Low74.2Confident52 Ų5257.6 Ų57.636%0.36432%0.324SS..  trans-157.864.3-176.4-530000112.5A166 T170 R171A166-S168 VanDerWaalsContact C-N 3.25Å; A166-S168 PolarHBondContact O-N 3.33Å; S168-T170 PolarHBondContact O-N 3.03Å; S168-T170 VanDerWaalsContact O-N 3.12Å; S168-R171 WeakPolarHBondContact O-CB 3.45Å; S168-R171 PolarHBondContact O-N 3.28Å
169P62.8Low74.3Confident70 Ų7057.1 Ų57.146%0.45532%0.323SS..THydrogen-bonded Turntrans-58.9-26.6-179.524.2-34.2000112.7L399P169-L399 HydrophobicContact CB-CB 4.23Å; P169-L399 HydrophobicContact CB-CD1 3.72Å; P169-L399 HydrophobicContact CB-CG 4.45Å
170T68.9Low74.8Confident107 Ų10761 Ų6166%0.65634%0.338SS*.THydrogen-bonded Turntrans-93.9-3.2178.855.90000114S168 P172S168-T170 PolarHBondContact O-N 3.03Å; S168-T170 VanDerWaalsContact O-N 3.12Å; T170-P172 WeakPolarHBondContact O-CD 3.46Å
171R74.7Confident75.9Confident150 Ų15065 Ų6557%0.56635%0.347SS*.SBendtrans-83.4121-176-179176.1-175.1-173.55.6109.9S168 M173S168-R171 WeakPolarHBondContact O-CB 3.45Å; S168-R171 PolarHBondContact O-N 3.28Å; R171-M173 PolarHBondContact O-N 2.85Å
172P76.7Confident77Confident83 Ų8362.2 Ų62.254%0.53933%0.332SS..  trans-53.6136.2175.2-26.735.8000111.9T170T170-P172 WeakPolarHBondContact O-CD 3.46Å
173M81.2Confident78.1Confident19 Ų1963.5 Ų63.59%0.09434%0.337CS..  trans-112.5155.4173.6-62.2-173.5-81.700110.2L137 R163 R171 H175 T192 Y194L137-M173 HydrophobicContact CD1-CE 4.15Å; R163-M173 HydrophobicContact CG-SD 4.43Å; R171-M173 PolarHBondContact O-N 2.85Å; M173-H175 PolarHBondContact O-N 3.03Å; M173-T192 PolarHBondContact N-O 3.16Å; M173-T192 WeakPolarHBondContact O-CA 3.4Å; M173-T192 VanDerWaalsContact O-CB 3.26Å; M173-T192 WeakPolarHBondContact O-CB 3.46Å; M173-T192 WeakPolarHBondContact O-CG2 3.5Å; M173-Y194 HydrophobicContact CB-CE1 3.74Å; M173-Y194 HydrophobicContact CB-CE2 4.15Å; M173-Y194 VanDerWaalsContact CB-CZ 3.46Å; M173-Y194 VanDerWaalsContact CB-OH 3.29Å; M173-Y194 WeakPolarHBondContact CB-OH 3.49Å; M173-Y194 HydrophobicContact CE-CD2 3.53Å; M173-Y194 HydrophobicContact CE-CE1 4.49Å; M173-Y194 HydrophobicContact CE-CE2 3.42Å; M173-Y194 VanDerWaalsContact CE-CE2 3.42Å; M173-Y194 HydrophobicContact CE-CG 4.13Å; M173-Y194 WeakPolarHBondContact CE-O 3.33Å; M173-Y194 HydrophobicContact SD-CE2 3.84Å
174T80Confident79Confident80 Ų8060.9 Ų60.949%0.49133%0.327SS..  trans-64.7130.5176.5-51.50000110.3Q176 V177 Y194T174-Q176 HydrophobicContact CG2-CB 4.25Å; T174-V177 WeakPolarHBondContact O-CG1 3.25Å; T174-Y194 WeakPolarHBondContact O-CE1 3.23Å; T174-Y194 PolarHBondContact O-OH 3.24Å
175H76.7Confident80.1Confident50 Ų5058 Ų5823%0.23131%0.314CS..SBendtrans-84.9-23.417961.5-89.6000113.1M173 V177 L187 C191M173-H175 PolarHBondContact O-N 3.03Å; H175-V177 PolarHBondContact O-N 3.18Å; H175-L187 HydrophobicContact CB-CD2 4.43Å; H175-C191 WeakPolarHBondContact CB-O 3.47Å
176Q82.3Confident80.9Confident138 Ų13857.2 Ų57.265%0.64531%0.311SS*.SBendtrans-77.560.5174.6-63.8-177.9-18.300111.9T174T174-Q176 HydrophobicContact CG2-CB 4.25Å
177V76.2Confident82.5Confident8 Ų855 Ų555%0.04829%0.292CS..  trans-123.3167.5176.4-63.60000109.7R139 T174 H175 R183 L187R139-V177 HydrophobicContact CB-CB 4.38Å; R139-V177 HydrophobicContact CB-CG2 4.27Å; T174-V177 WeakPolarHBondContact O-CG1 3.25Å; H175-V177 PolarHBondContact O-N 3.18Å; V177-R183 PolarHBondContact O-NE 3.01Å; V177-R183 PolarHBondContact O-NH2 2.97Å; V177-L187 HydrophobicContact CG2-CD1 4.12Å
178A76.2Confident84.4Confident17 Ų1750.8 Ų50.814%0.1426%0.26CS..SBendtrans65.9148.9-173.200000115.1R139 D140 R183R139-A178 WeakPolarHBondContact O-CA 3.26Å; R139-A178 VanDerWaalsContact O-CB 3.26Å; R139-A178 WeakPolarHBondContact O-CB 3.14Å; R139-A178 PolarHBondContact O-N 3.22Å; D140-A178 WeakPolarHBondContact OD1-CA 3.41Å; A178-R183 HydrophobicContact CB-CB 4.13Å; A178-R183 HydrophobicContact CB-CG 4.32Å; A178-R183 PolarHBondContact O-NE 3.11Å; A178-R183 PolarHBondContact O-NH2 3.28Å
179T87.1Confident86.2Confident48 Ų4848.4 Ų48.429%0.29424%0.244SC..  trans-65.1132.8168.4-59.20000110D140 K142 W181 Y182 R183D140-T179 PolarHBondContact OD1-N 3.07Å; D140-T179 PolarHBondContact OD1-OG1 3.22Å; K142-T179 HydrophobicContact CD-CG2 4.25Å; K142-T179 VanDerWaalsContact CD-OG1 3.28Å; K142-T179 WeakPolarHBondContact CD-OG1 3.35Å; K142-T179 WeakPolarHBondContact CE-OG1 3.49Å; K142-T179 PolarHBondContact NZ-OG1 2.85Å; T179-W181 VanDerWaalsContact C-N 3.29Å; T179-W181 PolarHBondContact O-N 2.76Å; T179-W181 VanDerWaalsContact O-N 3.1Å; T179-Y182 HydrophobicContact CG2-CD2 4.33Å; T179-Y182 PolarHBondContact O-N 3.28Å; T179-R183 PolarHBondContact O-N 2.86Å
180R95.2Very high87.6Confident85 Ų8545.2 Ų45.232%0.32122%0.223SC..G310 helixtrans-50.5-43.1-165.3-172.2178.8-62.6105.72.1114.2Y182 R183 F188 D220 C221 D222 Q225R180-Y182 PolarHBondContact O-N 3.44Å; R180-R183 WeakPolarHBondContact O-CB 3.31Å; R180-R183 PolarHBondContact O-N 3.47Å; R180-F188 HydrophobicContact CG-CE1 3.97Å; R180-F188 HydrophobicContact CG-CZ 3.89Å; R180-D220 PolarHBondContact NH1-O 3.15Å; R180-C221 WeakPolarHBondContact CD-O 3.48Å; R180-D222 IonicContact CZ-OD1 3.85Å; R180-D222 IonicContact NE-OD1 2.93Å; R180-D222 PolarHBondContact NE-OD1 3.46Å; R180-D222 IonicContact NH2-OD1 3.13Å; R180-Q225 HydrophobicContact CG-CB 3.91Å; R180-Q225 HydrophobicContact CG-CG 3.8Å; R180-Q225 PolarHBondContact O-NE2 3.37Å
181W97.4Very high88.7Confident101 Ų10140.5 Ų40.538%0.38319%0.194SC..G310 helixtrans-65.8-21.6-175.7-59.8-14000114.5T179 P215 P218 G219T179-W181 VanDerWaalsContact C-N 3.29Å; T179-W181 PolarHBondContact O-N 2.76Å; T179-W181 VanDerWaalsContact O-N 3.1Å; W181-P215 HydrophobicContact CD2-CB 4.34Å; W181-P215 HydrophobicContact CD2-CG 4.48Å; W181-P215 HydrophobicContact CE3-CB 3.8Å; W181-P215 HydrophobicContact CE3-CG 3.53Å; W181-P215 HydrophobicContact CZ3-CB 4.31Å; W181-P215 HydrophobicContact CZ3-CG 3.59Å; W181-P218 HydrophobicContact CD2-CB 4.35Å; W181-P218 HydrophobicContact CZ2-CB 4.19Å; W181-G219 PolarHBondContact NE1-O 2.89Å
182Y98Very high89.4Confident9 Ų935.7 Ų35.74%0.03518%0.182CC..G310 helixtrans-112.93.8-179.6-50-86000112.2L141 K142 P143 T179 R180 C205 I206 E209L141-Y182 WeakPolarHBondContact O-CB 3.49Å; K142-Y182 HydrophobicContact CB-CD2 3.52Å; K142-Y182 HydrophobicContact CB-CE2 3.57Å; K142-Y182 HydrophobicContact CB-CG 4.07Å; P143-Y182 WeakPolarHBondContact CD-OH 3.49Å; P143-Y182 HydrophobicContact CG-CE1 4.16Å; T179-Y182 HydrophobicContact CG2-CD2 4.33Å; T179-Y182 PolarHBondContact O-N 3.28Å; R180-Y182 PolarHBondContact O-N 3.44Å; Y182-C205 HydrophobicContact CD1-CB 3.71Å; Y182-C205 HydrophobicContact CE1-CB 4.38Å; Y182-I206 HydrophobicContact CD1-CG1 3.88Å; Y182-I206 HydrophobicContact CE1-CG1 3.95Å; Y182-E209 VanDerWaalsContact CE1-OE2 3.27Å; Y182-E209 WeakPolarHBondContact CE1-OE2 3.47Å; Y182-E209 VanDerWaalsContact CZ-OE2 3.3Å; Y182-E209 PolarHBondContact OH-OE2 3.14Å
183R97.4Very high90Very high27 Ų2733.4 Ų33.410%0.10217%0.165CC..  trans-77.1133.1-177.8-174.7-174.9-61.2167-4.8109.8V177 A178 T179 R180 L187 F188 W201 D222V177-R183 PolarHBondContact O-NE 3.01Å; V177-R183 PolarHBondContact O-NH2 2.97Å; A178-R183 HydrophobicContact CB-CB 4.13Å; A178-R183 HydrophobicContact CB-CG 4.32Å; A178-R183 PolarHBondContact O-NE 3.11Å; A178-R183 PolarHBondContact O-NH2 3.28Å; T179-R183 PolarHBondContact O-N 2.86Å; R180-R183 WeakPolarHBondContact O-CB 3.31Å; R180-R183 PolarHBondContact O-N 3.47Å; R183-L187 HydrophobicContact CG-CB 3.76Å; R183-L187 HydrophobicContact CG-CD1 3.65Å; R183-L187 HydrophobicContact CG-CG 4.33Å; R183-F188 HydrophobicContact CB-CE2 3.8Å; R183-F188 HydrophobicContact CB-CZ 3.63Å; R183-F188 VanDerWaalsContact CD-CZ 3.5Å; R183-F188 HydrophobicContact CG-CD2 4.48Å; R183-F188 HydrophobicContact CG-CE1 4.48Å; R183-F188 HydrophobicContact CG-CE2 3.87Å; R183-F188 HydrophobicContact CG-CZ 3.85Å; R183-F188 WeakPolarHBondContact O-CE2 3.35Å; R183-W201 PolarHBondContact O-NE1 2.79Å; R183-D222 IonicContact NH1-OD1 3.18Å; R183-D222 IonicContact NH1-OD2 3.77Å
184A97.7Very high90.4Very high1 Ų133.1 Ų33.11%0.00816%0.163CC..  trans-67.5147.3178.100000112.6E186 L187 I198 W201A184-E186 VanDerWaalsContact C-N 3.29Å; A184-E186 VanDerWaalsContact CB-OE2 3.23Å; A184-E186 WeakPolarHBondContact CB-OE2 3.26Å; A184-E186 PolarHBondContact O-N 2.89Å; A184-L187 HydrophobicContact CB-CD1 4.47Å; A184-L187 WeakPolarHBondContact O-CB 3.22Å; A184-L187 PolarHBondContact O-N 3.44Å; A184-L187 VanDerWaalsContact O-N 3.15Å; A184-I198 HydrophobicContact CB-CB 4.21Å; A184-I198 HydrophobicContact CB-CG2 4.08Å; A184-W201 VanDerWaalsContact CA-CD1 3.47Å; A184-W201 HydrophobicContact CB-CB 3.79Å; A184-W201 HydrophobicContact CB-CD2 4.32Å; A184-W201 HydrophobicContact CB-CG 3.72Å
185P97.1Very high90.9Very high0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-59.4-35-172.723.9-35.3000113.8L187 F188 Y189 W201 L226 I229 W241 L282P185-L187 PolarHBondContact O-N 3.12Å; P185-F188 PolarHBondContact O-N 2.79Å; P185-F188 VanDerWaalsContact O-N 3.15Å; P185-Y189 PolarHBondContact O-N 3.49Å; P185-W201 HydrophobicContact CG-CE3 4.35Å; P185-W201 HydrophobicContact CG-CH2 4.08Å; P185-W201 HydrophobicContact CG-CZ2 4.44Å; P185-W201 HydrophobicContact CG-CZ3 4.03Å; P185-L226 HydrophobicContact CB-CD2 4.16Å; P185-I229 HydrophobicContact CB-CD1 4.44Å; P185-W241 HydrophobicContact CB-CH2 3.91Å; P185-W241 HydrophobicContact CB-CZ3 3.74Å; P185-W241 HydrophobicContact CG-CH2 3.94Å; P185-W241 HydrophobicContact CG-CZ3 3.81Å; P185-L282 HydrophobicContact CG-CD2 4.12Å
186E96.1Very high91.8Very high4 Ų430 Ų302%0.01915%0.153CC..Hα-helixtrans-63.3-27.7-178.965-87.8-151.300112.9A184 Y189 C191 I198 W241 L247 P284 R287A184-E186 VanDerWaalsContact C-N 3.29Å; A184-E186 VanDerWaalsContact CB-OE2 3.23Å; A184-E186 WeakPolarHBondContact CB-OE2 3.26Å; A184-E186 PolarHBondContact O-N 2.89Å; E186-Y189 PolarHBondContact O-N 3.43Å; E186-C191 HydrophobicContact CB-CB 3.98Å; E186-C191 HydrophobicContact CG-CB 4.28Å; E186-C191 WeakPolarHBondContact O-CB 3.23Å; E186-C191 PolarHBondContact O-N 3.28Å; E186-I198 HydrophobicContact CG-CG2 4.47Å; E186-I198 WeakPolarHBondContact OE1-CG2 3.44Å; E186-W241 HydrophobicContact CB-CH2 3.84Å; E186-W241 HydrophobicContact CB-CZ2 3.68Å; E186-L247 HydrophobicContact CB-CD1 4.32Å; E186-P284 HydrophobicContact CB-CG 4.17Å; E186-P284 HydrophobicContact CG-CG 4.02Å; E186-R287 IonicContact OE1-CZ 3.57Å; E186-R287 IonicContact OE1-NH1 2.71Å; E186-R287 PolarHBondContact OE1-NH1 3.19Å; E186-R287 IonicContact OE1-NH2 3.59Å; E186-R287 IonicContact OE2-CZ 3.43Å; E186-R287 IonicContact OE2-NH1 3.24Å; E186-R287 PolarHBondContact OE2-NH1 3.1Å; E186-R287 IonicContact OE2-NH2 2.73Å; E186-R287 PolarHBondContact OE2-NH2 3.42Å
187L96.3Very high92.5Very high2 Ų223.7 Ų23.71%0.0113%0.125CC..Hα-helixtrans-72.9-32.7179.3-65.2176.3000111.6H175 V177 R183 A184 P185 Y189 G190 Y194 I198H175-L187 HydrophobicContact CB-CD2 4.43Å; V177-L187 HydrophobicContact CG2-CD1 4.12Å; R183-L187 HydrophobicContact CG-CB 3.76Å; R183-L187 HydrophobicContact CG-CD1 3.65Å; R183-L187 HydrophobicContact CG-CG 4.33Å; A184-L187 HydrophobicContact CB-CD1 4.47Å; A184-L187 WeakPolarHBondContact O-CB 3.22Å; A184-L187 PolarHBondContact O-N 3.44Å; A184-L187 VanDerWaalsContact O-N 3.15Å; P185-L187 PolarHBondContact O-N 3.12Å; L187-Y189 VanDerWaalsContact C-N 3.3Å; L187-G190 PolarHBondContact O-N 3.18Å; L187-Y194 HydrophobicContact CD2-CD1 3.42Å; L187-Y194 VanDerWaalsContact CD2-CD1 3.42Å; L187-Y194 HydrophobicContact CD2-CE1 3.59Å; L187-Y194 HydrophobicContact CD2-CG 3.96Å; L187-I198 HydrophobicContact CD1-CB 4.18Å; L187-I198 HydrophobicContact CD1-CD1 4.43Å; L187-I198 HydrophobicContact CD1-CG2 3.93Å; L187-I198 HydrophobicContact CD2-CG2 4.21Å; L187-I198 HydrophobicContact CG-CG2 4.04Å
188F96Very high93.5Very high15 Ų1523.6 Ų23.67%0.06613%0.125CC..Hα-helixtrans-67.3-34174.3-66.4-71.1000112R180 R183 P185 G190 D222 Q225 L226 I229R180-F188 HydrophobicContact CG-CE1 3.97Å; R180-F188 HydrophobicContact CG-CZ 3.89Å; R183-F188 HydrophobicContact CB-CE2 3.8Å; R183-F188 HydrophobicContact CB-CZ 3.63Å; R183-F188 VanDerWaalsContact CD-CZ 3.5Å; R183-F188 HydrophobicContact CG-CD2 4.48Å; R183-F188 HydrophobicContact CG-CE1 4.48Å; R183-F188 HydrophobicContact CG-CE2 3.87Å; R183-F188 HydrophobicContact CG-CZ 3.85Å; R183-F188 WeakPolarHBondContact O-CE2 3.35Å; P185-F188 PolarHBondContact O-N 2.79Å; P185-F188 VanDerWaalsContact O-N 3.15Å; F188-G190 PolarHBondContact O-N 3.48Å; F188-D222 HydrophobicContact CD1-CB 3.63Å; F188-D222 HydrophobicContact CE1-CB 3.98Å; F188-Q225 HydrophobicContact CE1-CB 4.26Å; F188-Q225 HydrophobicContact CE1-CG 4.14Å; F188-Q225 HydrophobicContact CE2-CB 4.46Å; F188-Q225 HydrophobicContact CE2-CG 3.69Å; F188-Q225 HydrophobicContact CZ-CB 3.99Å; F188-Q225 HydrophobicContact CZ-CG 3.39Å; F188-L226 HydrophobicContact CB-CD1 3.81Å; F188-L226 HydrophobicContact CB-CD2 3.99Å; F188-L226 HydrophobicContact CB-CG 3.91Å; F188-L226 HydrophobicContact CD2-CD2 3.99Å; F188-L226 HydrophobicContact CD2-CG 4.22Å; F188-L226 HydrophobicContact CG-CD1 4.49Å; F188-L226 HydrophobicContact CG-CD2 4.26Å; F188-L226 HydrophobicContact CG-CG 4.12Å; F188-I229 HydrophobicContact CE2-CD1 4.45Å
189Y95.5Very high94.5Very high3 Ų323 Ų231%0.01212%0.119CC..THydrogen-bonded Turntrans-80.711.6174.5-63.7-43.3000114.2P185 E186 L187 L226 Y230 W241 V244 L247 P248 N249 Y250 V251P185-Y189 PolarHBondContact O-N 3.49Å; E186-Y189 PolarHBondContact O-N 3.43Å; L187-Y189 VanDerWaalsContact C-N 3.3Å; Y189-L226 HydrophobicContact CD1-CD1 4.16Å; Y189-L226 HydrophobicContact CE1-CD1 3.61Å; Y189-L226 HydrophobicContact CE2-CD2 4.43Å; Y189-Y230 WeakPolarHBondContact CE2-OH 3.41Å; Y189-Y230 PolarHBondContact OH-OH 3.08Å; Y189-W241 HydrophobicContact CD2-CH2 4.31Å; Y189-W241 HydrophobicContact CE2-CZ3 4.48Å; Y189-V244 HydrophobicContact CD2-CG2 3.99Å; Y189-V244 HydrophobicContact CE2-CG2 3.94Å; Y189-L247 HydrophobicContact CD2-CD1 4.12Å; Y189-L247 HydrophobicContact CG-CD1 4.39Å; Y189-P248 WeakPolarHBondContact O-CD 3.5Å; Y189-N249 WeakPolarHBondContact CD1-O 3.42Å; Y189-N249 PolarHBondContact O-N 3.06Å; Y189-Y250 HydrophobicContact CD1-CD2 4.32Å; Y189-Y250 HydrophobicContact CD2-CD2 4.11Å; Y189-Y250 HydrophobicContact CE1-CD2 4.01Å; Y189-Y250 AromaticContact CE2-CD2 3.8Å; Y189-Y250 HydrophobicContact CE2-CD2 3.8Å; Y189-Y250 HydrophobicContact CE2-CE2 4.07Å; Y189-Y250 HydrophobicContact CG-CD2 4.34Å; Y189-Y250 AromaticContact CZ-CD2 3.72Å; Y189-Y250 AromaticContact CZ-CE2 3.96Å; Y189-V251 PolarHBondContact OH-O 3.13Å; Y189-V251 VanDerWaalsContact OH-O 3.05Å
190G92.8Very high95Very high3 Ų320.7 Ų20.73%0.03111%0.105CC..THydrogen-bonded Turntrans79.419172.200000114.2L187 F188 T192L187-G190 PolarHBondContact O-N 3.18Å; F188-G190 PolarHBondContact O-N 3.48Å; G190-T192 PolarHBondContact O-N 2.96Å; G190-T192 VanDerWaalsContact O-N 3.16Å
191C92.4Very high95.2Very high7 Ų716.6 Ų16.65%0.0479%0.089CC..  trans-59.3119.9175.2-173.50000110.3H175 E186 L193 Y194 L247H175-C191 WeakPolarHBondContact CB-O 3.47Å; E186-C191 HydrophobicContact CB-CB 3.98Å; E186-C191 HydrophobicContact CG-CB 4.28Å; E186-C191 WeakPolarHBondContact O-CB 3.23Å; E186-C191 PolarHBondContact O-N 3.28Å; C191-L193 PolarHBondContact SG-O 3.01Å; C191-Y194 WeakPolarHBondContact O-CD1 3.34Å; C191-L247 HydrophobicContact CB-CD2 3.91Å
192T89.5Confident95.3Very high49 Ų4912 Ų1230%0.3017%0.073SC..  trans-103.1-10.8177.658.40000113M173 G190M173-T192 PolarHBondContact N-O 3.16Å; M173-T192 WeakPolarHBondContact O-CA 3.4Å; M173-T192 VanDerWaalsContact O-CB 3.26Å; M173-T192 WeakPolarHBondContact O-CB 3.46Å; M173-T192 WeakPolarHBondContact O-CG2 3.5Å; G190-T192 PolarHBondContact O-N 2.96Å; G190-T192 VanDerWaalsContact O-N 3.16Å
193L88.5Confident95.3Very high36 Ų3611.6 Ų11.619%0.1887%0.071CC..SBendtrans-112.684.2176.5-62.6178.2000108.4C191 L392C191-L193 PolarHBondContact SG-O 3.01Å; L193-L392 HydrophobicContact CD1-CD2 3.64Å
194Y89.7Confident95.4Very high13 Ų1310.3 Ų10.35%0.0517%0.066CC..  trans-121.4155.5-179.452.6-103.3000111.1L137 R139 M173 T174 L187 C191 I198L137-Y194 HydrophobicContact CD1-CD2 4.02Å; L137-Y194 HydrophobicContact CD1-CE2 4.06Å; R139-Y194 PolarHBondContact NH1-OH 2.86Å; M173-Y194 HydrophobicContact CB-CE1 3.74Å; M173-Y194 HydrophobicContact CB-CE2 4.15Å; M173-Y194 VanDerWaalsContact CB-CZ 3.46Å; M173-Y194 VanDerWaalsContact CB-OH 3.29Å; M173-Y194 WeakPolarHBondContact CB-OH 3.49Å; M173-Y194 HydrophobicContact CE-CD2 3.53Å; M173-Y194 HydrophobicContact CE-CE1 4.49Å; M173-Y194 HydrophobicContact CE-CE2 3.42Å; M173-Y194 VanDerWaalsContact CE-CE2 3.42Å; M173-Y194 HydrophobicContact CE-CG 4.13Å; M173-Y194 WeakPolarHBondContact CE-O 3.33Å; M173-Y194 HydrophobicContact SD-CE2 3.84Å; T174-Y194 WeakPolarHBondContact O-CE1 3.23Å; T174-Y194 PolarHBondContact O-OH 3.24Å; L187-Y194 HydrophobicContact CD2-CD1 3.42Å; L187-Y194 VanDerWaalsContact CD2-CD1 3.42Å; L187-Y194 HydrophobicContact CD2-CE1 3.59Å; L187-Y194 HydrophobicContact CD2-CG 3.96Å; C191-Y194 WeakPolarHBondContact O-CD1 3.34Å; Y194-I198 HydrophobicContact CD2-CD1 3.51Å; Y194-I198 HydrophobicContact CD2-CG1 4.3Å; Y194-I198 HydrophobicContact CD2-CG2 4.27Å; Y194-I198 HydrophobicContact CE2-CD1 3.53Å; Y194-I198 HydrophobicContact CG-CD1 4.39Å; Y194-I198 HydrophobicContact CG-CG2 4.24Å
195G91.3Very high95.4Very high29 Ų2910.3 Ų10.330%0.2997%0.066SC..  trans-119.6-150.7179.200000112.7G197G195-G197 PolarHBondContact O-N 2.95Å; G195-G197 VanDerWaalsContact O-N 3.15Å
196V95.2Very high95.5Very high34 Ų3410.3 Ų10.321%0.2067%0.066CC..THydrogen-bonded Turntrans-58.1-26.2-179.1-65.10000114H132 L137 F165 I198 D199 I200 T289H132-V196 HydrophobicContact CB-CG1 4.01Å; H132-V196 WeakPolarHBondContact ND1-CG1 3.41Å; L137-V196 HydrophobicContact CD2-CB 4.43Å; L137-V196 HydrophobicContact CD2-CG1 3.99Å; F165-V196 HydrophobicContact CZ-CG1 4.01Å; V196-I198 PolarHBondContact O-N 2.91Å; V196-D199 PolarHBondContact O-N 3.13Å; V196-I200 WeakPolarHBondContact O-CG1 3.28Å; V196-I200 PolarHBondContact O-N 3.13Å; V196-I200 VanDerWaalsContact O-N 3.16Å; V196-T289 HydrophobicContact CG2-CG2 4.41Å
197G96.4Very high95.6Very high7 Ų710.1 Ų10.17%0.0727%0.065CC..Hα-helixtrans-55.2-24.3-176.500000114.9G195 W201 R287G195-G197 PolarHBondContact O-N 2.95Å; G195-G197 VanDerWaalsContact O-N 3.15Å; G197-W201 WeakPolarHBondContact O-CB 3.2Å; G197-W201 PolarHBondContact O-N 3.47Å; G197-R287 WeakPolarHBondContact O-CD 3.44Å; G197-R287 PolarHBondContact O-NH1 3.31Å
198I97Very high95.7Very high6 Ų610 Ų103%0.0317%0.065CC..Hα-helixtrans-71.4-37176.467170.3000112.4R139 A184 E186 L187 Y194 V196 A202R139-I198 HydrophobicContact CB-CD1 4.28Å; R139-I198 HydrophobicContact CG-CD1 3.84Å; A184-I198 HydrophobicContact CB-CB 4.21Å; A184-I198 HydrophobicContact CB-CG2 4.08Å; E186-I198 HydrophobicContact CG-CG2 4.47Å; E186-I198 WeakPolarHBondContact OE1-CG2 3.44Å; L187-I198 HydrophobicContact CD1-CB 4.18Å; L187-I198 HydrophobicContact CD1-CD1 4.43Å; L187-I198 HydrophobicContact CD1-CG2 3.93Å; L187-I198 HydrophobicContact CD2-CG2 4.21Å; L187-I198 HydrophobicContact CG-CG2 4.04Å; Y194-I198 HydrophobicContact CD2-CD1 3.51Å; Y194-I198 HydrophobicContact CD2-CG1 4.3Å; Y194-I198 HydrophobicContact CD2-CG2 4.27Å; Y194-I198 HydrophobicContact CE2-CD1 3.53Å; Y194-I198 HydrophobicContact CG-CD1 4.39Å; Y194-I198 HydrophobicContact CG-CG2 4.24Å; V196-I198 PolarHBondContact O-N 2.91Å; I198-A202 PolarHBondContact O-N 3.25Å
199D98Very high95.8Very high3 Ų39.3 Ų9.32%0.0166%0.062CC..Hα-helixtrans-75.5-37.4176.8-73.5-23000109.3V128 H132 H138 R139 L141 V196 W201 A202 V203V128-D199 HydrophobicContact CG1-CB 4.44Å; H132-D199 IonicContact CD2-OD2 3.98Å; H132-D199 IonicContact CE1-OD2 3.89Å; H132-D199 IonicContact NE2-OD2 3.78Å; H132-D199 PolarHBondContact NE2-OD2 3.17Å; H138-D199 PolarHBondContact N-OD2 3.38Å; R139-D199 PolarHBondContact N-OD1 2.94Å; L141-D199 HydrophobicContact CD1-CB 3.76Å; V196-D199 PolarHBondContact O-N 3.13Å; D199-W201 PolarHBondContact O-N 2.92Å; D199-A202 WeakPolarHBondContact O-CB 3.5Å; D199-A202 PolarHBondContact O-N 2.71Å; D199-V203 WeakPolarHBondContact O-CG2 3.42Å; D199-V203 PolarHBondContact O-N 3.11Å
200I98.6Very high95.9Very high0 Ų09.3 Ų9.30%06%0.062CC..Hα-helixtrans-61.7-42.2175.7-58.3-53000111.6V128 V196 V203 G204 L279 R287 A290V128-I200 HydrophobicContact CG1-CD1 4.32Å; V196-I200 WeakPolarHBondContact O-CG1 3.28Å; V196-I200 PolarHBondContact O-N 3.13Å; V196-I200 VanDerWaalsContact O-N 3.16Å; I200-V203 WeakPolarHBondContact O-CB 3.21Å; I200-V203 PolarHBondContact O-N 2.87Å; I200-G204 PolarHBondContact O-N 3.49Å; I200-L279 HydrophobicContact CG2-CB 4.43Å; I200-L279 HydrophobicContact CG2-CD2 3.45Å; I200-L279 VanDerWaalsContact CG2-CD2 3.45Å; I200-R287 HydrophobicContact CB-CB 4.48Å; I200-R287 HydrophobicContact CG2-CB 3.96Å; I200-A290 HydrophobicContact CD1-CB 3.91Å
201W98.7Very high96.1Very high0 Ų011.7 Ų11.70%07%0.074CC..Hα-helixtrans-58.6-48.5172.3177.2-83.6000111.9R183 A184 P185 G197 D199 V203 G204 C205 F217 I229 L280 L282R183-W201 PolarHBondContact O-NE1 2.79Å; A184-W201 VanDerWaalsContact CA-CD1 3.47Å; A184-W201 HydrophobicContact CB-CB 3.79Å; A184-W201 HydrophobicContact CB-CD2 4.32Å; A184-W201 HydrophobicContact CB-CG 3.72Å; P185-W201 HydrophobicContact CG-CE3 4.35Å; P185-W201 HydrophobicContact CG-CH2 4.08Å; P185-W201 HydrophobicContact CG-CZ2 4.44Å; P185-W201 HydrophobicContact CG-CZ3 4.03Å; G197-W201 WeakPolarHBondContact O-CB 3.2Å; G197-W201 PolarHBondContact O-N 3.47Å; D199-W201 PolarHBondContact O-N 2.92Å; W201-V203 VanDerWaalsContact C-N 3.29Å; W201-V203 PolarHBondContact O-N 3.26Å; W201-G204 WeakPolarHBondContact O-CA 3.32Å; W201-G204 PolarHBondContact O-N 2.82Å; W201-C205 PolarHBondContact NE1-SG 3.24Å; W201-C205 VanDerWaalsContact NE1-SG 3.44Å; W201-C205 PolarHBondContact O-N 2.73Å; W201-F217 HydrophobicContact CH2-CE2 4.45Å; W201-F217 HydrophobicContact CZ2-CD2 4.36Å; W201-F217 AromaticContact CZ2-CE2 3.79Å; W201-F217 HydrophobicContact CZ2-CE2 3.79Å; W201-F217 HydrophobicContact CZ2-CZ 4.47Å; W201-I229 HydrophobicContact CH2-CG2 3.74Å; W201-I229 HydrophobicContact CZ2-CD1 3.87Å; W201-I229 HydrophobicContact CZ2-CG1 4.02Å; W201-I229 HydrophobicContact CZ2-CG2 3.99Å; W201-L280 HydrophobicContact CD2-CD2 3.99Å; W201-L280 HydrophobicContact CE3-CD2 4.11Å; W201-L280 HydrophobicContact CG-CD2 4.46Å; W201-L280 HydrophobicContact CH2-CD2 4.45Å; W201-L280 HydrophobicContact CZ2-CD2 4.32Å; W201-L280 HydrophobicContact CZ3-CB 4.41Å; W201-L280 HydrophobicContact CZ3-CD2 4.36Å; W201-L280 VanDerWaalsContact CZ3-O 3.32Å; W201-L280 WeakPolarHBondContact CZ3-O 3.2Å; W201-L282 HydrophobicContact CH2-CD2 4.19Å; W201-L282 HydrophobicContact CZ3-CD2 4.34Å
202A98.6Very high96.3Very high4 Ų414.2 Ų14.23%0.0339%0.086CC..Hα-helixtrans-60.2-39.6178.400000111.8L141 I198 D199 G204 C205 I206L141-A202 HydrophobicContact CB-CB 3.78Å; I198-A202 PolarHBondContact O-N 3.25Å; D199-A202 WeakPolarHBondContact O-CB 3.5Å; D199-A202 PolarHBondContact O-N 2.71Å; A202-G204 PolarHBondContact O-N 3.13Å; A202-C205 PolarHBondContact O-N 2.91Å; A202-I206 WeakPolarHBondContact O-CD1 3.49Å; A202-I206 WeakPolarHBondContact O-CG1 3.45Å; A202-I206 PolarHBondContact O-N 3.24Å
203V98.8Very high96.6Very high0 Ų015.2 Ų15.20%09%0.085CC..Hα-helixtrans-58.7-45.8172172.30000111L124 L125 V128 L141 D199 I200 W201 C205 I206 I207 L279L124-V203 HydrophobicContact CD1-CG2 4.43Å; L124-V203 HydrophobicContact CD2-CB 4.38Å; L124-V203 HydrophobicContact CD2-CG1 3.99Å; L124-V203 HydrophobicContact CD2-CG2 4.07Å; L124-V203 HydrophobicContact CG-CG1 4.36Å; L124-V203 HydrophobicContact CG-CG2 4.08Å; L125-V203 HydrophobicContact CD2-CG1 3.86Å; L125-V203 HydrophobicContact CG-CG1 4.17Å; V128-V203 HydrophobicContact CG2-CG2 3.94Å; L141-V203 HydrophobicContact CD1-CG2 4.02Å; D199-V203 WeakPolarHBondContact O-CG2 3.42Å; D199-V203 PolarHBondContact O-N 3.11Å; I200-V203 WeakPolarHBondContact O-CB 3.21Å; I200-V203 PolarHBondContact O-N 2.87Å; W201-V203 VanDerWaalsContact C-N 3.29Å; W201-V203 PolarHBondContact O-N 3.26Å; V203-C205 VanDerWaalsContact C-N 3.35Å; V203-C205 PolarHBondContact O-N 2.98Å; V203-I206 PolarHBondContact O-N 3.22Å; V203-I207 HydrophobicContact CG1-CD1 3.75Å; V203-I207 HydrophobicContact CG1-CG1 4.28Å; V203-I207 WeakPolarHBondContact O-CG1 3.23Å; V203-I207 PolarHBondContact O-N 2.91Å; V203-L279 HydrophobicContact CG1-CD1 4.24Å
204G98.7Very high97Very high0 Ų017.1 Ų17.10%010%0.098CC..Hα-helixtrans-56.4-45.7175.100000112.9I200 W201 A202 I206 I207 A208I200-G204 PolarHBondContact O-N 3.49Å; W201-G204 WeakPolarHBondContact O-CA 3.32Å; W201-G204 PolarHBondContact O-N 2.82Å; A202-G204 PolarHBondContact O-N 3.13Å; G204-I206 PolarHBondContact O-N 3.05Å; G204-I207 PolarHBondContact O-N 3.22Å; G204-A208 WeakPolarHBondContact O-CB 3.41Å; G204-A208 PolarHBondContact O-N 2.88Å
205C98.7Very high97.3Very high1 Ų117.2 Ų17.21%0.00710%0.1CC..Hα-helixtrans-62.4-40.9176.3-67.80000112.4Y182 W201 A202 V203 A208 E209Y182-C205 HydrophobicContact CD1-CB 3.71Å; Y182-C205 HydrophobicContact CE1-CB 4.38Å; W201-C205 PolarHBondContact NE1-SG 3.24Å; W201-C205 VanDerWaalsContact NE1-SG 3.44Å; W201-C205 PolarHBondContact O-N 2.73Å; A202-C205 PolarHBondContact O-N 2.91Å; V203-C205 VanDerWaalsContact C-N 3.35Å; V203-C205 PolarHBondContact O-N 2.98Å; C205-A208 PolarHBondContact O-N 3.17Å; C205-E209 WeakPolarHBondContact O-CB 3.37Å; C205-E209 PolarHBondContact O-N 3.02Å
206I98.7Very high97.6Very high0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-66.7-44.1179.4-68.9163.4000111L124 L141 P143 L146 Y182 A202 V203 G204 A208 E209 F210L124-I206 HydrophobicContact CD2-CB 4.28Å; L124-I206 HydrophobicContact CD2-CD1 4.29Å; L124-I206 HydrophobicContact CD2-CG2 3.86Å; L141-I206 HydrophobicContact CB-CD1 4.14Å; P143-I206 HydrophobicContact CG-CG1 4.33Å; L146-I206 HydrophobicContact CD1-CD1 4.03Å; L146-I206 HydrophobicContact CD1-CG2 3.97Å; Y182-I206 HydrophobicContact CD1-CG1 3.88Å; Y182-I206 HydrophobicContact CE1-CG1 3.95Å; A202-I206 WeakPolarHBondContact O-CD1 3.49Å; A202-I206 WeakPolarHBondContact O-CG1 3.45Å; A202-I206 PolarHBondContact O-N 3.24Å; V203-I206 PolarHBondContact O-N 3.22Å; G204-I206 PolarHBondContact O-N 3.05Å; I206-A208 VanDerWaalsContact C-N 3.35Å; I206-E209 WeakPolarHBondContact O-CB 3.34Å; I206-E209 PolarHBondContact O-N 3.29Å; I206-F210 HydrophobicContact CG2-CD1 4.37Å; I206-F210 HydrophobicContact CG2-CE1 3.53Å; I206-F210 HydrophobicContact CG2-CE2 4.05Å; I206-F210 HydrophobicContact CG2-CZ 3.34Å; I206-F210 VanDerWaalsContact O-CD1 3.27Å; I206-F210 WeakPolarHBondContact O-CD1 3.27Å; I206-F210 WeakPolarHBondContact O-CG 3.16Å; I206-F210 PolarHBondContact O-N 3.23Å
207I98.6Very high97.8Very high0 Ų015 Ų150%08%0.08CC..Hα-helixtrans-65-41.3177.7-63.9174.5000110.5S121 V203 G204 E209 F210 L211 L272 L276 L279S121-I207 WeakPolarHBondContact OG-CG1 3.5Å; V203-I207 HydrophobicContact CG1-CD1 3.75Å; V203-I207 HydrophobicContact CG1-CG1 4.28Å; V203-I207 WeakPolarHBondContact O-CG1 3.23Å; V203-I207 PolarHBondContact O-N 2.91Å; G204-I207 PolarHBondContact O-N 3.22Å; I207-E209 VanDerWaalsContact C-N 3.29Å; I207-E209 PolarHBondContact O-N 3.18Å; I207-F210 HydrophobicContact CG1-CE2 4.49Å; I207-F210 WeakPolarHBondContact O-CB 3.34Å; I207-F210 PolarHBondContact O-N 3.39Å; I207-L211 PolarHBondContact O-N 3.26Å; I207-L272 HydrophobicContact CG2-CD1 3.96Å; I207-L276 HydrophobicContact CB-CD2 3.98Å; I207-L276 HydrophobicContact CG2-CD2 3.83Å; I207-L279 HydrophobicContact CD1-CD1 3.83Å
208A98.4Very high97.8Very high0 Ų016.9 Ų16.90%09%0.091CC..Hα-helixtrans-60.2-39.9173.600000112.2G204 C205 I206 F210 L211 L212 L216 F265 L276G204-A208 WeakPolarHBondContact O-CB 3.41Å; G204-A208 PolarHBondContact O-N 2.88Å; C205-A208 PolarHBondContact O-N 3.17Å; I206-A208 VanDerWaalsContact C-N 3.35Å; A208-F210 VanDerWaalsContact C-N 3.33Å; A208-F210 PolarHBondContact O-N 2.98Å; A208-L211 WeakPolarHBondContact O-CB 3.1Å; A208-L211 PolarHBondContact O-N 2.97Å; A208-L211 VanDerWaalsContact O-N 3.14Å; A208-L212 WeakPolarHBondContact O-CG 3.31Å; A208-L212 PolarHBondContact O-N 3.39Å; A208-L216 HydrophobicContact CB-CB 4.15Å; A208-L216 HydrophobicContact CB-CD1 4.35Å; A208-L216 HydrophobicContact CB-CD2 3.68Å; A208-L216 HydrophobicContact CB-CG 4.28Å; A208-F265 HydrophobicContact CB-CE1 3.74Å; A208-F265 HydrophobicContact CB-CZ 3.58Å; A208-L276 HydrophobicContact CB-CD2 4.39Å
209E98.1Very high97.8Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-66.8-31.2176.2178.3166.7-169.600112.7V105 H106 P143 Y182 C205 I206 I207 L211 L212 R213V105-E209 HydrophobicContact CG1-CG 3.9Å; V105-E209 WeakPolarHBondContact CG1-O 3.46Å; H106-E209 IonicContact CD2-OE1 3.85Å; H106-E209 IonicContact CE1-OE1 3.54Å; H106-E209 IonicContact NE2-OE1 2.76Å; H106-E209 PolarHBondContact NE2-OE1 3.12Å; P143-E209 WeakPolarHBondContact CG-OE2 3.42Å; Y182-E209 VanDerWaalsContact CE1-OE2 3.27Å; Y182-E209 WeakPolarHBondContact CE1-OE2 3.47Å; Y182-E209 VanDerWaalsContact CZ-OE2 3.3Å; Y182-E209 PolarHBondContact OH-OE2 3.14Å; C205-E209 WeakPolarHBondContact O-CB 3.37Å; C205-E209 PolarHBondContact O-N 3.02Å; I206-E209 WeakPolarHBondContact O-CB 3.34Å; I206-E209 PolarHBondContact O-N 3.29Å; I207-E209 VanDerWaalsContact C-N 3.29Å; I207-E209 PolarHBondContact O-N 3.18Å; E209-L211 PolarHBondContact O-N 3.22Å; E209-L212 PolarHBondContact O-N 3.02Å; E209-R213 WeakPolarHBondContact O-CA 3.37Å; E209-R213 PolarHBondContact O-N 2.85Å
210F97.8Very high97.6Very high3 Ų322.5 Ų22.51%0.01312%0.121CC..Hα-helixtrans-59.2-35.6171.3-60.3-19.2000112.3L101 V105 L112 V117 L120 I206 I207 A208L101-F210 HydrophobicContact CB-CE1 4.48Å; L101-F210 HydrophobicContact CD1-CE1 4.02Å; L101-F210 HydrophobicContact CD1-CZ 3.64Å; V105-F210 HydrophobicContact CG2-CD1 3.42Å; V105-F210 VanDerWaalsContact CG2-CD1 3.42Å; V105-F210 HydrophobicContact CG2-CE1 3.73Å; L112-F210 HydrophobicContact CD1-CB 4.35Å; V117-F210 HydrophobicContact CG1-CB 4.05Å; V117-F210 HydrophobicContact CG1-CD2 4.21Å; V117-F210 HydrophobicContact CG2-CB 4.21Å; L120-F210 HydrophobicContact CB-CD2 4.26Å; L120-F210 HydrophobicContact CB-CE2 3.7Å; L120-F210 HydrophobicContact CB-CZ 4.13Å; I206-F210 HydrophobicContact CG2-CD1 4.37Å; I206-F210 HydrophobicContact CG2-CE1 3.53Å; I206-F210 HydrophobicContact CG2-CE2 4.05Å; I206-F210 HydrophobicContact CG2-CZ 3.34Å; I206-F210 VanDerWaalsContact O-CD1 3.27Å; I206-F210 WeakPolarHBondContact O-CD1 3.27Å; I206-F210 WeakPolarHBondContact O-CG 3.16Å; I206-F210 PolarHBondContact O-N 3.23Å; I207-F210 HydrophobicContact CG1-CE2 4.49Å; I207-F210 WeakPolarHBondContact O-CB 3.34Å; I207-F210 PolarHBondContact O-N 3.39Å; A208-F210 VanDerWaalsContact C-N 3.33Å; A208-F210 PolarHBondContact O-N 2.98Å
211L97.1Very high97.4Very high54 Ų5425.1 Ų25.128%0.28314%0.139SC..Hα-helixtrans-78.2-45.5178.6-60.4172000112V117 I207 A208 E209 F265 A268 L272 L276V117-L211 HydrophobicContact CG1-CD2 4.21Å; V117-L211 HydrophobicContact CG2-CD2 4.33Å; I207-L211 PolarHBondContact O-N 3.26Å; A208-L211 WeakPolarHBondContact O-CB 3.1Å; A208-L211 PolarHBondContact O-N 2.97Å; A208-L211 VanDerWaalsContact O-N 3.14Å; E209-L211 PolarHBondContact O-N 3.22Å; L211-F265 HydrophobicContact CB-CD1 3.98Å; L211-F265 HydrophobicContact CB-CE1 4.44Å; L211-F265 HydrophobicContact CD1-CB 4.18Å; L211-F265 HydrophobicContact CD1-CD1 3.59Å; L211-F265 HydrophobicContact CD1-CE1 4.17Å; L211-F265 HydrophobicContact CD1-CG 3.97Å; L211-F265 HydrophobicContact CG-CD1 4.46Å; L211-A268 HydrophobicContact CD1-CB 4.29Å; L211-L272 HydrophobicContact CD1-CD2 3.89Å; L211-L272 HydrophobicContact CD1-CG 4.43Å; L211-L272 HydrophobicContact CD2-CD2 3.88Å; L211-L272 HydrophobicContact CG-CD2 4.39Å; L211-L276 HydrophobicContact CD1-CD1 3.84Å
212L96.3Very high97.3Very high60 Ų6027.9 Ų27.931%0.31415%0.154SC..Hα-helixtrans-83.9-18.7-173.7-64.8174.7000113.8A208 E209 T214 L216 F265A208-L212 WeakPolarHBondContact O-CG 3.31Å; A208-L212 PolarHBondContact O-N 3.39Å; E209-L212 PolarHBondContact O-N 3.02Å; L212-T214 HydrophobicContact CB-CG2 4.04Å; L212-T214 PolarHBondContact O-N 2.79Å; L212-T214 VanDerWaalsContact O-N 3.16Å; L212-L216 HydrophobicContact CD1-CD1 3.57Å; L212-F265 HydrophobicContact CD1-CE1 3.74Å; L212-F265 HydrophobicContact CD1-CZ 4.44Å; L212-F265 HydrophobicContact CD2-CD1 4.14Å; L212-F265 HydrophobicContact CD2-CE1 4.13Å; L212-F265 HydrophobicContact CG-CD1 4.14Å; L212-F265 HydrophobicContact CG-CE1 3.73Å
213R96.1Very high97.1Very high70 Ų7032.5 Ų32.526%0.26418%0.177SC..SBendtrans61.213.8-172.3-47.2-65.9-70.5168.30.1113.9L104 V105 D107 V110 E209L104-R213 PolarHBondContact O-NH2 2.95Å; V105-R213 VanDerWaalsContact C-CZ 3.44Å; V105-R213 VanDerWaalsContact C-NH2 3.33Å; V105-R213 VanDerWaalsContact CA-NH1 3.31Å; V105-R213 PolarHBondContact O-NE 3.41Å; V105-R213 PolarHBondContact O-NH1 3.26Å; V105-R213 PolarHBondContact O-NH2 2.81Å; D107-R213 PolarHBondContact O-NH2 3.47Å; V110-R213 PolarHBondContact O-NH2 2.95Å; E209-R213 WeakPolarHBondContact O-CA 3.37Å; E209-R213 PolarHBondContact O-N 2.85Å
214T96.1Very high97Very high76 Ų7634.7 Ų34.747%0.46619%0.191SC..SBendtrans-149.2150.9178.3-1740000108.6L212 L216L212-T214 HydrophobicContact CB-CG2 4.04Å; L212-T214 PolarHBondContact O-N 2.79Å; L212-T214 VanDerWaalsContact O-N 3.16Å; T214-L216 PolarHBondContact O-N 3.46Å
215P97.3Very high97Very high14 Ų1434.7 Ų34.79%0.09119%0.191CC..  trans-55.2136.4178.1-26.634.1000112.4W181 F217 P218W181-P215 HydrophobicContact CD2-CB 4.34Å; W181-P215 HydrophobicContact CD2-CG 4.48Å; W181-P215 HydrophobicContact CE3-CB 3.8Å; W181-P215 HydrophobicContact CE3-CG 3.53Å; W181-P215 HydrophobicContact CZ3-CB 4.31Å; W181-P215 HydrophobicContact CZ3-CG 3.59Å; P215-F217 PolarHBondContact O-N 3.05Å; P215-P218 HydrophobicContact CB-CB 4.42Å; P215-P218 WeakPolarHBondContact O-CD 3.46Å
216L97.6Very high96.9Very high17 Ų1735 Ų359%0.08919%0.192CC..SBendtrans-64.4-40.7-178.3-178.563.3000112.6A208 L212 T214 I232 F265 L280A208-L216 HydrophobicContact CB-CB 4.15Å; A208-L216 HydrophobicContact CB-CD1 4.35Å; A208-L216 HydrophobicContact CB-CD2 3.68Å; A208-L216 HydrophobicContact CB-CG 4.28Å; L212-L216 HydrophobicContact CD1-CD1 3.57Å; T214-L216 PolarHBondContact O-N 3.46Å; L216-I232 HydrophobicContact CD1-CD1 3.56Å; L216-I232 HydrophobicContact CG-CD1 4.16Å; L216-F265 HydrophobicContact CD1-CE1 4.48Å; L216-F265 HydrophobicContact CD1-CZ 3.99Å; L216-L280 HydrophobicContact CD2-CD1 3.62Å
217F97.7Very high96.8Very high1 Ų136.1 Ų36.10%0.00420%0.202CC..  trans-128.175.5-175.1-53.6-61000111.9W201 P215 G219 Q225 K228 I229 I232 L280W201-F217 HydrophobicContact CH2-CE2 4.45Å; W201-F217 HydrophobicContact CZ2-CD2 4.36Å; W201-F217 AromaticContact CZ2-CE2 3.79Å; W201-F217 HydrophobicContact CZ2-CE2 3.79Å; W201-F217 HydrophobicContact CZ2-CZ 4.47Å; P215-F217 PolarHBondContact O-N 3.05Å; F217-G219 PolarHBondContact O-N 3.23Å; F217-Q225 VanDerWaalsContact O-CD 3.27Å; F217-Q225 PolarHBondContact O-NE2 3.17Å; F217-Q225 PolarHBondContact O-OE1 2.7Å; F217-K228 HydrophobicContact CB-CB 4.45Å; F217-K228 HydrophobicContact CD1-CB 4.45Å; F217-K228 WeakPolarHBondContact CD1-O 3.47Å; F217-I229 HydrophobicContact CB-CG1 4.38Å; F217-I229 HydrophobicContact CD1-CG1 4.12Å; F217-I229 HydrophobicContact CD2-CG1 4.05Å; F217-I229 HydrophobicContact CE1-CB 4.5Å; F217-I229 HydrophobicContact CE1-CG1 4.35Å; F217-I229 HydrophobicContact CE2-CG1 4.3Å; F217-I229 HydrophobicContact CG-CG1 3.95Å; F217-I229 HydrophobicContact CZ-CG1 4.44Å; F217-I232 HydrophobicContact CD1-CD1 4.22Å; F217-I232 HydrophobicContact CE1-CB 3.93Å; F217-I232 HydrophobicContact CE1-CD1 3.7Å; F217-I232 HydrophobicContact CE1-CG1 4.14Å; F217-I232 HydrophobicContact CE1-CG2 4.38Å; F217-L280 HydrophobicContact CE2-CD2 4.42Å
218P96.5Very high96.7Very high46 Ų4639.4 Ų39.430%0.29922%0.216SC..  trans-85.473.7-174.829.2-29.8000112.7W181 P215 K228W181-P218 HydrophobicContact CD2-CB 4.35Å; W181-P218 HydrophobicContact CZ2-CB 4.19Å; P215-P218 HydrophobicContact CB-CB 4.42Å; P215-P218 WeakPolarHBondContact O-CD 3.46Å; P218-K228 HydrophobicContact CG-CD 4.44Å; P218-K228 WeakPolarHBondContact O-CD 3.23Å; P218-K228 VanDerWaalsContact O-CE 3.23Å; P218-K228 WeakPolarHBondContact O-CE 3.44Å; P218-K228 PolarHBondContact O-NZ 2.54Å
219G96.8Very high96.7Very high2 Ų239.4 Ų39.42%0.02122%0.216CC..  trans-81.4144.7177.500000113.6W181 F217W181-G219 PolarHBondContact NE1-O 2.89Å; F217-G219 PolarHBondContact O-N 3.23Å
220D94.7Very high96.7Very high124 Ų12439.5 Ų39.566%0.66322%0.216SC*.SBendtrans-88.5-25179.162.13.2000113.4R180 T224R180-D220 PolarHBondContact NH1-O 3.15Å; D220-T224 PolarHBondContact N-OG1 3.4Å; D220-T224 VanDerWaalsContact N-OG1 3.15Å; D220-T224 VanDerWaalsContact OD1-CB 3.31Å; D220-T224 WeakPolarHBondContact OD1-CB 3.4Å; D220-T224 VanDerWaalsContact OD1-CG2 3.24Å; D220-T224 WeakPolarHBondContact OD1-CG2 3.48Å; D220-T224 PolarHBondContact OD1-OG1 2.98Å
221C95.3Very high96.6Very high55 Ų5543.7 Ų43.737%0.37224%0.236SC..SBendtrans-143.4172.8174.868.40000110.2R180 L223 T224 Q225R180-C221 WeakPolarHBondContact CD-O 3.48Å; C221-L223 VanDerWaalsContact C-N 3.28Å; C221-L223 PolarHBondContact O-N 2.99Å; C221-T224 PolarHBondContact N-OG1 3.34Å; C221-T224 PolarHBondContact O-N 3.06Å; C221-T224 PolarHBondContact O-OG1 3.3Å; C221-T224 PolarHBondContact SG-OG1 2.84Å; C221-T224 VanDerWaalsContact SG-OG1 3.37Å; C221-Q225 WeakPolarHBondContact O-CB 3.3Å; C221-Q225 PolarHBondContact O-N 3.4Å
222D95.2Very high96.5Very high59 Ų5942.2 Ų42.232%0.31623%0.228SC..Hα-helixtrans-63.8-33.9-172.5-71.28.3000112.3R180 R183 F188 L226R180-D222 IonicContact CZ-OD1 3.85Å; R180-D222 IonicContact NE-OD1 2.93Å; R180-D222 PolarHBondContact NE-OD1 3.46Å; R180-D222 IonicContact NH2-OD1 3.13Å; R183-D222 IonicContact NH1-OD1 3.18Å; R183-D222 IonicContact NH1-OD2 3.77Å; F188-D222 HydrophobicContact CD1-CB 3.63Å; F188-D222 HydrophobicContact CE1-CB 3.98Å; D222-L226 PolarHBondContact O-N 3.45Å
223L95.5Very high96.5Very high100 Ų10040.9 Ų40.952%0.52422%0.222SC..Hα-helixtrans-72.6-42.9177.5-16972.8000112.5C221 Q225 L226 A227 F253C221-L223 VanDerWaalsContact C-N 3.28Å; C221-L223 PolarHBondContact O-N 2.99Å; L223-Q225 VanDerWaalsContact C-N 3.31Å; L223-L226 PolarHBondContact O-N 3.02Å; L223-A227 PolarHBondContact O-N 2.5Å; L223-F253 HydrophobicContact CD1-CE1 4.08Å; L223-F253 HydrophobicContact CD1-CE2 4.2Å; L223-F253 HydrophobicContact CD1-CZ 3.47Å; L223-F253 VanDerWaalsContact CD1-CZ 3.47Å; L223-F253 HydrophobicContact CG-CE1 4.43Å; L223-F253 HydrophobicContact CG-CZ 4.18Å
224T96.3Very high96.5Very high46 Ų4637.7 Ų37.728%0.28221%0.212SC..Hα-helixtrans-72-28.6177.958.30000111.7D220 C221 A227 K228D220-T224 PolarHBondContact N-OG1 3.4Å; D220-T224 VanDerWaalsContact N-OG1 3.15Å; D220-T224 VanDerWaalsContact OD1-CB 3.31Å; D220-T224 WeakPolarHBondContact OD1-CB 3.4Å; D220-T224 VanDerWaalsContact OD1-CG2 3.24Å; D220-T224 WeakPolarHBondContact OD1-CG2 3.48Å; D220-T224 PolarHBondContact OD1-OG1 2.98Å; C221-T224 PolarHBondContact N-OG1 3.34Å; C221-T224 PolarHBondContact O-N 3.06Å; C221-T224 PolarHBondContact O-OG1 3.3Å; C221-T224 PolarHBondContact SG-OG1 2.84Å; C221-T224 VanDerWaalsContact SG-OG1 3.37Å; T224-A227 PolarHBondContact O-N 3.15Å; T224-K228 WeakPolarHBondContact O-CG 3.29Å; T224-K228 PolarHBondContact O-N 2.97Å
225Q97.6Very high96.5Very high0 Ų034.9 Ų34.90%019%0.194CC..Hα-helixtrans-61.7-49.7170.8-174.26837.100111.4R180 F188 F217 C221 L223 A227 K228 I229R180-Q225 HydrophobicContact CG-CB 3.91Å; R180-Q225 HydrophobicContact CG-CG 3.8Å; R180-Q225 PolarHBondContact O-NE2 3.37Å; F188-Q225 HydrophobicContact CE1-CB 4.26Å; F188-Q225 HydrophobicContact CE1-CG 4.14Å; F188-Q225 HydrophobicContact CE2-CB 4.46Å; F188-Q225 HydrophobicContact CE2-CG 3.69Å; F188-Q225 HydrophobicContact CZ-CB 3.99Å; F188-Q225 HydrophobicContact CZ-CG 3.39Å; F217-Q225 VanDerWaalsContact O-CD 3.27Å; F217-Q225 PolarHBondContact O-NE2 3.17Å; F217-Q225 PolarHBondContact O-OE1 2.7Å; C221-Q225 WeakPolarHBondContact O-CB 3.3Å; C221-Q225 PolarHBondContact O-N 3.4Å; L223-Q225 VanDerWaalsContact C-N 3.31Å; Q225-A227 VanDerWaalsContact C-N 3.33Å; Q225-A227 PolarHBondContact O-N 2.71Å; Q225-K228 PolarHBondContact O-N 3.17Å; Q225-I229 HydrophobicContact CG-CD1 4.39Å; Q225-I229 WeakPolarHBondContact O-CG1 3.31Å; Q225-I229 PolarHBondContact O-N 2.91Å
226L97.3Very high96.4Very high8 Ų835 Ų354%0.04220%0.195CC..Hα-helixtrans-59.8-42.6174.4-76.5172.7000111.7P185 F188 Y189 D222 L223 K228 I229 Y230 F253P185-L226 HydrophobicContact CB-CD2 4.16Å; F188-L226 HydrophobicContact CB-CD1 3.81Å; F188-L226 HydrophobicContact CB-CD2 3.99Å; F188-L226 HydrophobicContact CB-CG 3.91Å; F188-L226 HydrophobicContact CD2-CD2 3.99Å; F188-L226 HydrophobicContact CD2-CG 4.22Å; F188-L226 HydrophobicContact CG-CD1 4.49Å; F188-L226 HydrophobicContact CG-CD2 4.26Å; F188-L226 HydrophobicContact CG-CG 4.12Å; Y189-L226 HydrophobicContact CD1-CD1 4.16Å; Y189-L226 HydrophobicContact CE1-CD1 3.61Å; Y189-L226 HydrophobicContact CE2-CD2 4.43Å; D222-L226 PolarHBondContact O-N 3.45Å; L223-L226 PolarHBondContact O-N 3.02Å; L226-K228 VanDerWaalsContact C-N 3.33Å; L226-K228 PolarHBondContact O-N 3.21Å; L226-I229 WeakPolarHBondContact O-CB 3.4Å; L226-I229 PolarHBondContact O-N 3.37Å; L226-I229 VanDerWaalsContact O-N 3.16Å; L226-Y230 HydrophobicContact CB-CE2 4.19Å; L226-Y230 HydrophobicContact CD2-CE2 4.35Å; L226-Y230 VanDerWaalsContact O-CD2 3.3Å; L226-Y230 WeakPolarHBondContact O-CD2 3.39Å; L226-Y230 PolarHBondContact O-N 3Å; L226-F253 HydrophobicContact CB-CE1 4.32Å; L226-F253 HydrophobicContact CB-CE2 3.93Å; L226-F253 HydrophobicContact CB-CZ 3.52Å; L226-F253 HydrophobicContact CD1-CE2 4Å; L226-F253 HydrophobicContact CD1-CZ 4.14Å
227A96.9Very high96.2Very high23 Ų2338.3 Ų38.319%0.1921%0.21CC..Hα-helixtrans-57-45.4175.800000112.1L223 T224 Q225 I229 Y230 E231 F253L223-A227 PolarHBondContact O-N 2.5Å; T224-A227 PolarHBondContact O-N 3.15Å; Q225-A227 VanDerWaalsContact C-N 3.33Å; Q225-A227 PolarHBondContact O-N 2.71Å; A227-I229 VanDerWaalsContact C-N 3.35Å; A227-I229 PolarHBondContact O-N 2.77Å; A227-Y230 PolarHBondContact O-N 3.38Å; A227-E231 WeakPolarHBondContact O-CG 3.29Å; A227-E231 PolarHBondContact O-N 3.15Å; A227-F253 HydrophobicContact CB-CE1 4.02Å
228K97.3Very high95.8Very high70 Ų7044.1 Ų44.130%0.30424%0.241SC..Hα-helixtrans-65.4-35.3176.7-73.1-172178.5-151.20113.3F217 P218 T224 Q225 L226F217-K228 HydrophobicContact CB-CB 4.45Å; F217-K228 HydrophobicContact CD1-CB 4.45Å; F217-K228 WeakPolarHBondContact CD1-O 3.47Å; P218-K228 HydrophobicContact CG-CD 4.44Å; P218-K228 WeakPolarHBondContact O-CD 3.23Å; P218-K228 VanDerWaalsContact O-CE 3.23Å; P218-K228 WeakPolarHBondContact O-CE 3.44Å; P218-K228 PolarHBondContact O-NZ 2.54Å; T224-K228 WeakPolarHBondContact O-CG 3.29Å; T224-K228 PolarHBondContact O-N 2.97Å; Q225-K228 PolarHBondContact O-N 3.17Å; L226-K228 VanDerWaalsContact C-N 3.33Å; L226-K228 PolarHBondContact O-N 3.21Å
229I97.8Very high95.5Very high0 Ų047.9 Ų47.90%026%0.259CS..Hα-helixtrans-61.2-48.6173.2-69.2168.6000109.6P185 F188 W201 F217 Q225 L226 A227 E231 I232 T233 L282P185-I229 HydrophobicContact CB-CD1 4.44Å; F188-I229 HydrophobicContact CE2-CD1 4.45Å; W201-I229 HydrophobicContact CH2-CG2 3.74Å; W201-I229 HydrophobicContact CZ2-CD1 3.87Å; W201-I229 HydrophobicContact CZ2-CG1 4.02Å; W201-I229 HydrophobicContact CZ2-CG2 3.99Å; F217-I229 HydrophobicContact CB-CG1 4.38Å; F217-I229 HydrophobicContact CD1-CG1 4.12Å; F217-I229 HydrophobicContact CD2-CG1 4.05Å; F217-I229 HydrophobicContact CE1-CB 4.5Å; F217-I229 HydrophobicContact CE1-CG1 4.35Å; F217-I229 HydrophobicContact CE2-CG1 4.3Å; F217-I229 HydrophobicContact CG-CG1 3.95Å; F217-I229 HydrophobicContact CZ-CG1 4.44Å; Q225-I229 HydrophobicContact CG-CD1 4.39Å; Q225-I229 WeakPolarHBondContact O-CG1 3.31Å; Q225-I229 PolarHBondContact O-N 2.91Å; L226-I229 WeakPolarHBondContact O-CB 3.4Å; L226-I229 PolarHBondContact O-N 3.37Å; L226-I229 VanDerWaalsContact O-N 3.16Å; A227-I229 VanDerWaalsContact C-N 3.35Å; A227-I229 PolarHBondContact O-N 2.77Å; I229-E231 VanDerWaalsContact C-N 3.33Å; I229-E231 PolarHBondContact O-N 3.03Å; I229-I232 PolarHBondContact O-N 3.38Å; I229-T233 HydrophobicContact CG2-CG2 4.35Å; I229-T233 WeakPolarHBondContact CG2-OG1 3.28Å; I229-T233 PolarHBondContact O-N 3Å; I229-T233 PolarHBondContact O-OG1 3.14Å; I229-L282 HydrophobicContact CG2-CD2 3.85Å
230Y97Very high95.3Very high2 Ų250.7 Ų50.71%0.00828%0.275CS..Hα-helixtrans-75.3-18.4-176.9-57.4-31.1000114.3Y189 L226 A227 I232 G234 T235 P236 F253 L282Y189-Y230 WeakPolarHBondContact CE2-OH 3.41Å; Y189-Y230 PolarHBondContact OH-OH 3.08Å; L226-Y230 HydrophobicContact CB-CE2 4.19Å; L226-Y230 HydrophobicContact CD2-CE2 4.35Å; L226-Y230 VanDerWaalsContact O-CD2 3.3Å; L226-Y230 WeakPolarHBondContact O-CD2 3.39Å; L226-Y230 PolarHBondContact O-N 3Å; A227-Y230 PolarHBondContact O-N 3.38Å; Y230-I232 PolarHBondContact O-N 3.27Å; Y230-G234 VanDerWaalsContact CD1-O 3.22Å; Y230-G234 WeakPolarHBondContact CD1-O 3.43Å; Y230-G234 CarbonylContact O-C 3.56Å; Y230-G234 VanDerWaalsContact O-CA 3.22Å; Y230-G234 WeakPolarHBondContact O-CA 3.39Å; Y230-G234 PolarHBondContact O-N 3.49Å; Y230-T235 HydrophobicContact CD2-CG2 4.35Å; Y230-T235 HydrophobicContact CG-CG2 4.31Å; Y230-P236 VanDerWaalsContact CE1-CD 3.47Å; Y230-P236 HydrophobicContact CE1-CG 4.15Å; Y230-F253 HydrophobicContact CD2-CB 4.23Å; Y230-F253 HydrophobicContact CD2-CD1 4.23Å; Y230-F253 AromaticContact CD2-CD2 3.95Å; Y230-F253 HydrophobicContact CD2-CD2 3.95Å; Y230-F253 HydrophobicContact CD2-CE2 4.37Å; Y230-F253 AromaticContact CD2-CG 3.87Å; Y230-F253 HydrophobicContact CD2-CG 3.87Å; Y230-F253 AromaticContact CE2-CD2 3.63Å; Y230-F253 HydrophobicContact CE2-CD2 3.63Å; Y230-F253 AromaticContact CE2-CE2 3.9Å; Y230-F253 HydrophobicContact CE2-CE2 3.9Å; Y230-F253 HydrophobicContact CE2-CG 4.06Å; Y230-L282 HydrophobicContact CD1-CD1 4.42Å; Y230-L282 HydrophobicContact CD1-CD2 4.37Å; Y230-L282 HydrophobicContact CE1-CD1 4.23Å; Y230-L282 HydrophobicContact CE1-CD2 3.91Å
231E95.6Very high95.4Very high91 Ų9145 Ų4543%0.42525%0.245SC..Hα-helixtrans-62.7-28.9168.4-80.8170.3-177.700113A227 I229 R256 I259A227-E231 WeakPolarHBondContact O-CG 3.29Å; A227-E231 PolarHBondContact O-N 3.15Å; I229-E231 VanDerWaalsContact C-N 3.33Å; I229-E231 PolarHBondContact O-N 3.03Å; E231-R256 IonicContact OE1-NH1 3Å; E231-R256 PolarHBondContact OE1-NH1 3.41Å; E231-I259 WeakPolarHBondContact O-CD1 3.45Å
232I95.9Very high95.3Very high23 Ų2345.3 Ų45.312%0.11825%0.246CC..Hα-helixtrans-102.7-51.2-179.7-67.7-176.3000111L216 F217 I229 Y230 G234 G258 I259 F261 I264L216-I232 HydrophobicContact CD1-CD1 3.56Å; L216-I232 HydrophobicContact CG-CD1 4.16Å; F217-I232 HydrophobicContact CD1-CD1 4.22Å; F217-I232 HydrophobicContact CE1-CB 3.93Å; F217-I232 HydrophobicContact CE1-CD1 3.7Å; F217-I232 HydrophobicContact CE1-CG1 4.14Å; F217-I232 HydrophobicContact CE1-CG2 4.38Å; I229-I232 PolarHBondContact O-N 3.38Å; Y230-I232 PolarHBondContact O-N 3.27Å; I232-G234 VanDerWaalsContact C-N 3.33Å; I232-G258 WeakPolarHBondContact O-CA 3.21Å; I232-I259 PolarHBondContact O-N 2.97Å; I232-F261 HydrophobicContact CG2-CD2 4.48Å; I232-F261 HydrophobicContact CG2-CE2 3.89Å; I232-F261 HydrophobicContact CG2-CZ 4.39Å; I232-I264 HydrophobicContact CB-CD1 4.09Å; I232-I264 HydrophobicContact CD1-CD1 4.15Å; I232-I264 HydrophobicContact CG1-CD1 3.96Å; I232-I264 HydrophobicContact CG2-CD1 3.34Å
233T96.3Very high95Very high31 Ų3144.2 Ų44.219%0.1924%0.24CC..Hα-helixtrans-81.2-15.4-173.6570000113.4I229 L282I229-T233 HydrophobicContact CG2-CG2 4.35Å; I229-T233 WeakPolarHBondContact CG2-OG1 3.28Å; I229-T233 PolarHBondContact O-N 3Å; I229-T233 PolarHBondContact O-OG1 3.14Å; T233-L282 HydrophobicContact CG2-CD2 4.46Å
234G96.5Very high94.9Very high4 Ų439.7 Ų39.74%0.04122%0.216CC..  trans82.3162.4-166.700000111.6Y230 I232 R256 G258Y230-G234 VanDerWaalsContact CD1-O 3.22Å; Y230-G234 WeakPolarHBondContact CD1-O 3.43Å; Y230-G234 CarbonylContact O-C 3.56Å; Y230-G234 VanDerWaalsContact O-CA 3.22Å; Y230-G234 WeakPolarHBondContact O-CA 3.39Å; Y230-G234 PolarHBondContact O-N 3.49Å; I232-G234 VanDerWaalsContact C-N 3.33Å; G234-R256 CarbonylContact C-O 3.51Å; G234-R256 WeakPolarHBondContact CA-O 3.27Å; G234-G258 VanDerWaalsContact N-CA 3.34Å
235T96Very high94.7Very high16 Ų1642.9 Ų42.910%0.09822%0.224CC..  trans-72.3142.1173.6460000111.3Y230 E237 F253 E254 H255 R256Y230-T235 HydrophobicContact CD2-CG2 4.35Å; Y230-T235 HydrophobicContact CG-CG2 4.31Å; T235-E237 PolarHBondContact O-N 3.39Å; T235-F253 HydrophobicContact CG2-CB 4.05Å; T235-E254 WeakPolarHBondContact CG2-O 3.46Å; T235-H255 WeakPolarHBondContact OG1-CA 3.39Å; T235-H255 PolarHBondContact OG1-ND1 2.94Å; T235-R256 HydrophobicContact CG2-CB 4.35Å; T235-R256 PolarHBondContact N-O 3.47Å; T235-R256 PolarHBondContact OG1-N 3.43Å; T235-R256 VanDerWaalsContact OG1-N 3.08Å; T235-R256 PolarHBondContact OG1-O 3.36Å
236P95Very high94.5Very high16 Ų1649.3 Ų49.310%0.10425%0.249CC..  trans-66.1135.9178.827.5-34.2000111Y230 W241 V244 L282Y230-P236 VanDerWaalsContact CE1-CD 3.47Å; Y230-P236 HydrophobicContact CE1-CG 4.15Å; P236-W241 HydrophobicContact CB-CB 4.04Å; P236-W241 HydrophobicContact CB-CE3 4.16Å; P236-V244 HydrophobicContact CB-CG1 4.23Å; P236-V244 HydrophobicContact CG-CG1 4.42Å; P236-L282 HydrophobicContact CB-CD1 4.15Å
237E92.2Very high94.3Very high88 Ų8849.8 Ų49.841%0.41125%0.251SS..  trans-119.2168.1174-66.4-170.6173.200109.3T235 D239 T240 W241 H255T235-E237 PolarHBondContact O-N 3.39Å; E237-D239 WeakPolarHBondContact CB-OD1 3.46Å; E237-D239 PolarHBondContact O-N 3.4Å; E237-D239 VanDerWaalsContact O-N 3.16Å; E237-T240 PolarHBondContact N-OG1 3.49Å; E237-T240 PolarHBondContact O-N 3.11Å; E237-T240 PolarHBondContact O-OG1 3.03Å; E237-W241 PolarHBondContact O-N 2.94Å; E237-H255 IonicContact OE1-CE1 2.87Å; E237-H255 PolarHBondContact OE1-CE1 3.01Å; E237-H255 IonicContact OE1-ND1 2.97Å; E237-H255 PolarHBondContact OE1-ND1 3.41Å
238D89.8Confident94.2Very high122 Ų12253.3 Ų53.365%0.65227%0.272SS*.THydrogen-bonded Turntrans-61.8-25.1-175.4-75.9-21.6000113P242D238-P242 WeakPolarHBondContact O-CG 3.34Å
239D91.1Very high94Very high125 Ų12554 Ų5467%0.66828%0.279SS*.THydrogen-bonded Turntrans-84.3-33.2177.266.4-23.7000113.3E237E237-D239 WeakPolarHBondContact CB-OD1 3.46Å; E237-D239 PolarHBondContact O-N 3.4Å; E237-D239 VanDerWaalsContact O-N 3.16Å
240T92.7Very high93.9Very high61 Ų6157.1 Ų57.137%0.37429%0.291SS..THydrogen-bonded Turntrans-86.2-35.8-178.849.90000112.7E237 N283E237-T240 PolarHBondContact N-OG1 3.49Å; E237-T240 PolarHBondContact O-N 3.11Å; E237-T240 PolarHBondContact O-OG1 3.03Å; T240-N283 WeakPolarHBondContact O-CB 3.27Å
241W95.1Very high93.7Very high6 Ų660.7 Ų60.72%0.02331%0.313CS..SBendtrans-14583174.1-167.8-5.7000111.7P185 E186 Y189 P236 E237 D243 V244 L247 L282 N283 P284P185-W241 HydrophobicContact CB-CH2 3.91Å; P185-W241 HydrophobicContact CB-CZ3 3.74Å; P185-W241 HydrophobicContact CG-CH2 3.94Å; P185-W241 HydrophobicContact CG-CZ3 3.81Å; E186-W241 HydrophobicContact CB-CH2 3.84Å; E186-W241 HydrophobicContact CB-CZ2 3.68Å; Y189-W241 HydrophobicContact CD2-CH2 4.31Å; Y189-W241 HydrophobicContact CE2-CZ3 4.48Å; P236-W241 HydrophobicContact CB-CB 4.04Å; P236-W241 HydrophobicContact CB-CE3 4.16Å; E237-W241 PolarHBondContact O-N 2.94Å; W241-D243 PolarHBondContact O-N 3.49Å; W241-V244 HydrophobicContact CB-CB 4.29Å; W241-V244 HydrophobicContact CD2-CB 3.74Å; W241-V244 HydrophobicContact CD2-CG2 3.59Å; W241-V244 HydrophobicContact CE3-CB 4.18Å; W241-V244 HydrophobicContact CE3-CG2 3.6Å; W241-V244 HydrophobicContact CG-CB 3.78Å; W241-V244 HydrophobicContact CG-CG2 4.19Å; W241-V244 HydrophobicContact CH2-CG2 3.9Å; W241-V244 HydrophobicContact CZ2-CG2 3.89Å; W241-V244 HydrophobicContact CZ3-CG2 3.77Å; W241-V244 WeakPolarHBondContact O-CG1 3.31Å; W241-V244 PolarHBondContact O-N 3.46Å; W241-L247 HydrophobicContact CH2-CD1 4.37Å; W241-L247 HydrophobicContact CZ2-CD1 3.92Å; W241-L282 HydrophobicContact CD2-CB 4.47Å; W241-L282 HydrophobicContact CE3-CB 3.86Å; W241-N283 HydrophobicContact CB-CB 4.43Å; W241-N283 HydrophobicContact CG-CB 4.27Å; W241-P284 HydrophobicContact CZ2-CG 4.22Å
242P93.4Very high93.6Very high61 Ų6164.7 Ų64.740%0.39633%0.329SS..THydrogen-bonded Turntrans-55141.3177.2-21.929.9000111.8D238 V244D238-P242 WeakPolarHBondContact O-CG 3.34Å; P242-V244 PolarHBondContact O-N 3.04Å; P242-V244 VanDerWaalsContact O-N 3.15Å
243D89.2Confident93.5Very high36 Ų3665.7 Ų65.719%0.19333%0.332CS..THydrogen-bonded Turntrans63.310.6175.7-59.9-41.9000116.3W241 Y245 R246 T394W241-D243 PolarHBondContact O-N 3.49Å; D243-Y245 PolarHBondContact O-N 2.99Å; D243-Y245 VanDerWaalsContact O-N 3.17Å; D243-Y245 PolarHBondContact OD1-OH 2.77Å; D243-R246 HydrophobicContact CB-CG 4.3Å; D243-R246 WeakPolarHBondContact O-CB 3.42Å; D243-R246 PolarHBondContact O-N 3.05Å; D243-R246 IonicContact OD1-CZ 2.66Å; D243-R246 IonicContact OD1-NE 2.78Å; D243-R246 PolarHBondContact OD1-NE 3.5Å; D243-R246 IonicContact OD1-NH1 3.71Å; D243-R246 PolarHBondContact OD1-NH1 3.36Å; D243-R246 IonicContact OD1-NH2 2.76Å; D243-R246 PolarHBondContact OD1-NH2 2.99Å; D243-R246 VanDerWaalsContact OD1-NH2 3.13Å; D243-R246 IonicContact OD2-NH1 3.5Å; D243-R246 PolarHBondContact OD2-NH1 3.29Å; D243-T394 PolarHBondContact OD2-OG1 3.03Å
244V93.3Very high93.4Very high4 Ų471.6 Ų71.62%0.02436%0.358CS..G310 helixtrans-56.3-34176.368.20000112.5Y189 P236 W241 P242 R246 L247 Y250Y189-V244 HydrophobicContact CD2-CG2 3.99Å; Y189-V244 HydrophobicContact CE2-CG2 3.94Å; P236-V244 HydrophobicContact CB-CG1 4.23Å; P236-V244 HydrophobicContact CG-CG1 4.42Å; W241-V244 HydrophobicContact CB-CB 4.29Å; W241-V244 HydrophobicContact CD2-CB 3.74Å; W241-V244 HydrophobicContact CD2-CG2 3.59Å; W241-V244 HydrophobicContact CE3-CB 4.18Å; W241-V244 HydrophobicContact CE3-CG2 3.6Å; W241-V244 HydrophobicContact CG-CB 3.78Å; W241-V244 HydrophobicContact CG-CG2 4.19Å; W241-V244 HydrophobicContact CH2-CG2 3.9Å; W241-V244 HydrophobicContact CZ2-CG2 3.89Å; W241-V244 HydrophobicContact CZ3-CG2 3.77Å; W241-V244 WeakPolarHBondContact O-CG1 3.31Å; W241-V244 PolarHBondContact O-N 3.46Å; P242-V244 PolarHBondContact O-N 3.04Å; P242-V244 VanDerWaalsContact O-N 3.15Å; V244-R246 PolarHBondContact O-N 3Å; V244-R246 VanDerWaalsContact O-N 3.11Å; V244-L247 HydrophobicContact CG2-CD1 4.21Å; V244-L247 WeakPolarHBondContact O-CB 3.42Å; V244-L247 PolarHBondContact O-N 2.94Å; V244-L247 VanDerWaalsContact O-N 3.09Å; V244-Y250 HydrophobicContact CB-CE2 4.36Å; V244-Y250 HydrophobicContact CG1-CD2 4.43Å; V244-Y250 HydrophobicContact CG1-CE2 3.78Å; V244-Y250 HydrophobicContact CG2-CD2 3.91Å; V244-Y250 HydrophobicContact CG2-CE2 3.84Å; V244-Y250 WeakPolarHBondContact O-CD2 3.46Å
245Y92.8Very high93.3Very high113 Ų11376.8 Ų76.844%0.44338%0.381SS..G310 helixtrans-64-14.2177.566-93.6000113.8D243D243-Y245 PolarHBondContact O-N 2.99Å; D243-Y245 VanDerWaalsContact O-N 3.17Å; D243-Y245 PolarHBondContact OD1-OH 2.77Å
246R93.2Very high93.2Very high136 Ų13680.8 Ų80.851%0.51339%0.394SS..G310 helixtrans-86.2-7176.9-57.8-172.4-179.31594.3113.1D243 V244D243-R246 HydrophobicContact CB-CG 4.3Å; D243-R246 WeakPolarHBondContact O-CB 3.42Å; D243-R246 PolarHBondContact O-N 3.05Å; D243-R246 IonicContact OD1-CZ 2.66Å; D243-R246 IonicContact OD1-NE 2.78Å; D243-R246 PolarHBondContact OD1-NE 3.5Å; D243-R246 IonicContact OD1-NH1 3.71Å; D243-R246 PolarHBondContact OD1-NH1 3.36Å; D243-R246 IonicContact OD1-NH2 2.76Å; D243-R246 PolarHBondContact OD1-NH2 2.99Å; D243-R246 VanDerWaalsContact OD1-NH2 3.13Å; D243-R246 IonicContact OD2-NH1 3.5Å; D243-R246 PolarHBondContact OD2-NH1 3.29Å; V244-R246 PolarHBondContact O-N 3Å; V244-R246 VanDerWaalsContact O-N 3.11Å
247L93.6Very high93.2Very high18 Ų1884.9 Ų84.99%0.09442%0.42CS..SBendtrans-71142179-67.6177000111E186 Y189 C191 W241 V244 N249 Y250E186-L247 HydrophobicContact CB-CD1 4.32Å; Y189-L247 HydrophobicContact CD2-CD1 4.12Å; Y189-L247 HydrophobicContact CG-CD1 4.39Å; C191-L247 HydrophobicContact CB-CD2 3.91Å; W241-L247 HydrophobicContact CH2-CD1 4.37Å; W241-L247 HydrophobicContact CZ2-CD1 3.92Å; V244-L247 HydrophobicContact CG2-CD1 4.21Å; V244-L247 WeakPolarHBondContact O-CB 3.42Å; V244-L247 PolarHBondContact O-N 2.94Å; V244-L247 VanDerWaalsContact O-N 3.09Å; L247-N249 VanDerWaalsContact C-N 3.29Å; L247-N249 PolarHBondContact O-N 3.2Å; L247-N249 VanDerWaalsContact O-N 3.12Å; L247-Y250 WeakPolarHBondContact O-CB 3.24Å; L247-Y250 PolarHBondContact O-N 3.43Å
248P93.7Very high93.3Very high96 Ų9682.6 Ų82.662%0.62342%0.421SS*.THydrogen-bonded Turntrans-55-37.7-166.9-29.334.8000115.8Y189Y189-P248 WeakPolarHBondContact O-CD 3.5Å
249N93.9Very high93.6Very high85 Ų8580.2 Ų80.246%0.45541%0.407SS..THydrogen-bonded Turntrans-109.525.9-176.5-57.4-27.4000111.8Y189 L247 V251Y189-N249 WeakPolarHBondContact CD1-O 3.42Å; Y189-N249 PolarHBondContact O-N 3.06Å; L247-N249 VanDerWaalsContact C-N 3.29Å; L247-N249 PolarHBondContact O-N 3.2Å; L247-N249 VanDerWaalsContact O-N 3.12Å; N249-V251 PolarHBondContact O-N 3.1Å
250Y94.7Very high93.9Very high66 Ų6677.2 Ų77.226%0.25939%0.394SS..  trans-59.3126-178.7-178.5-100.7000111.4Y189 V244 L247 K252Y189-Y250 HydrophobicContact CD1-CD2 4.32Å; Y189-Y250 HydrophobicContact CD2-CD2 4.11Å; Y189-Y250 HydrophobicContact CE1-CD2 4.01Å; Y189-Y250 AromaticContact CE2-CD2 3.8Å; Y189-Y250 HydrophobicContact CE2-CD2 3.8Å; Y189-Y250 HydrophobicContact CE2-CE2 4.07Å; Y189-Y250 HydrophobicContact CG-CD2 4.34Å; Y189-Y250 AromaticContact CZ-CD2 3.72Å; Y189-Y250 AromaticContact CZ-CE2 3.96Å; V244-Y250 HydrophobicContact CB-CE2 4.36Å; V244-Y250 HydrophobicContact CG1-CD2 4.43Å; V244-Y250 HydrophobicContact CG1-CE2 3.78Å; V244-Y250 HydrophobicContact CG2-CD2 3.91Å; V244-Y250 HydrophobicContact CG2-CE2 3.84Å; V244-Y250 WeakPolarHBondContact O-CD2 3.46Å; L247-Y250 WeakPolarHBondContact O-CB 3.24Å; L247-Y250 PolarHBondContact O-N 3.43Å; Y250-K252 HydrophobicContact CE1-CB 4.13Å
251V93.5Very high94.1Very high76 Ų7675 Ų7546%0.46138%0.38SS..  trans-121.8126.3173.2178.50000107.4Y189 N249 F253Y189-V251 PolarHBondContact OH-O 3.13Å; Y189-V251 VanDerWaalsContact OH-O 3.05Å; N249-V251 PolarHBondContact O-N 3.1Å; V251-F253 WeakPolarHBondContact O-CD2 3.5Å
252K93Very high94.1Very high175 Ų17578 Ų7876%0.76140%0.402SS*.PPolyproline II helixtrans-76127.2177.2-173.3171.9-178.2172.70110Y250Y250-K252 HydrophobicContact CE1-CB 4.13Å
253F94.6Very high94.3Very high44 Ų4481.3 Ų81.319%0.19341%0.412CS..PPolyproline II helixtrans-94.2159.5173.3-75.9-105.1000110.7L223 L226 A227 Y230 T235 V251 H255L223-F253 HydrophobicContact CD1-CE1 4.08Å; L223-F253 HydrophobicContact CD1-CE2 4.2Å; L223-F253 HydrophobicContact CD1-CZ 3.47Å; L223-F253 VanDerWaalsContact CD1-CZ 3.47Å; L223-F253 HydrophobicContact CG-CE1 4.43Å; L223-F253 HydrophobicContact CG-CZ 4.18Å; L226-F253 HydrophobicContact CB-CE1 4.32Å; L226-F253 HydrophobicContact CB-CE2 3.93Å; L226-F253 HydrophobicContact CB-CZ 3.52Å; L226-F253 HydrophobicContact CD1-CE2 4Å; L226-F253 HydrophobicContact CD1-CZ 4.14Å; A227-F253 HydrophobicContact CB-CE1 4.02Å; Y230-F253 HydrophobicContact CD2-CB 4.23Å; Y230-F253 HydrophobicContact CD2-CD1 4.23Å; Y230-F253 AromaticContact CD2-CD2 3.95Å; Y230-F253 HydrophobicContact CD2-CD2 3.95Å; Y230-F253 HydrophobicContact CD2-CE2 4.37Å; Y230-F253 AromaticContact CD2-CG 3.87Å; Y230-F253 HydrophobicContact CD2-CG 3.87Å; Y230-F253 AromaticContact CE2-CD2 3.63Å; Y230-F253 HydrophobicContact CE2-CD2 3.63Å; Y230-F253 AromaticContact CE2-CE2 3.9Å; Y230-F253 HydrophobicContact CE2-CE2 3.9Å; Y230-F253 HydrophobicContact CE2-CG 4.06Å; T235-F253 HydrophobicContact CG2-CB 4.05Å; V251-F253 WeakPolarHBondContact O-CD2 3.5Å; F253-H255 PolarHBondContact O-N 3.1Å
254E94.5Very high94.6Very high156 Ų15681.6 Ų81.673%0.72941%0.413SS*.PPolyproline II helixtrans-60.7132166.8-176.4178.8-167.200109.2T235 R256T235-E254 WeakPolarHBondContact CG2-O 3.46Å; E254-R256 PolarHBondContact O-N 3.44Å
255H94.7Very high94.7Very high112 Ų11281.8 Ų81.852%0.51941%0.413SS..PPolyproline II helixtrans-58.2133.8-176.8170.587.8000110.9T235 E237 F253T235-H255 WeakPolarHBondContact OG1-CA 3.39Å; T235-H255 PolarHBondContact OG1-ND1 2.94Å; E237-H255 IonicContact OE1-CE1 2.87Å; E237-H255 PolarHBondContact OE1-CE1 3.01Å; E237-H255 IonicContact OE1-ND1 2.97Å; E237-H255 PolarHBondContact OE1-ND1 3.41Å; F253-H255 PolarHBondContact O-N 3.1Å
256R92.8Very high94.8Very high101 Ų10182.1 Ų82.138%0.38143%0.427SS..  trans-137.7132.2175-66-177.2-178.6-171.6-0.7109.4E231 G234 T235 E254E231-R256 IonicContact OE1-NH1 3Å; E231-R256 PolarHBondContact OE1-NH1 3.41Å; G234-R256 CarbonylContact C-O 3.51Å; G234-R256 WeakPolarHBondContact CA-O 3.27Å; T235-R256 HydrophobicContact CG2-CB 4.35Å; T235-R256 PolarHBondContact N-O 3.47Å; T235-R256 PolarHBondContact OG1-N 3.43Å; T235-R256 VanDerWaalsContact OG1-N 3.08Å; T235-R256 PolarHBondContact OG1-O 3.36Å; E254-R256 PolarHBondContact O-N 3.44Å
257P95Very high94.8Very high101 Ų10180.2 Ų80.266%0.65644%0.441SS*.PPolyproline II helixtrans-68.2144.4172.129.9-34.2000109.9
258G94.9Very high94.9Very high41 Ų4180.4 Ų80.442%0.42345%0.445SS..PPolyproline II helixtrans-68.7152.4172.300000112I232 G234I232-G258 WeakPolarHBondContact O-CA 3.21Å; G234-G258 VanDerWaalsContact N-CA 3.34Å
259I96.2Very high95Very high72 Ų7278.1 Ų78.137%0.36943%0.431SS..PPolyproline II helixtrans-94.8124.7172.8-58.5173.7000107.3E231 I232 F261 Q263 I264E231-I259 WeakPolarHBondContact O-CD1 3.45Å; I232-I259 PolarHBondContact O-N 2.97Å; I259-F261 PolarHBondContact O-N 3.28Å; I259-Q263 HydrophobicContact CG2-CB 4.02Å; I259-I264 HydrophobicContact CB-CD1 4.17Å; I259-I264 HydrophobicContact CB-CG1 4.44Å; I259-I264 HydrophobicContact CG2-CD1 4.1Å; I259-I264 HydrophobicContact CG2-CG1 3.83Å
260P96.3Very high95.2Very high61 Ų6179.3 Ų79.340%0.39644%0.442SS..PPolyproline II helixtrans-54.6133.5176-26.234.8000111.2S262 Q263P260-S262 PolarHBondContact O-N 3.02Å; P260-S262 VanDerWaalsContact O-N 3.1Å; P260-Q263 HydrophobicContact CB-CG 4.27Å; P260-Q263 WeakPolarHBondContact O-CB 3.3Å; P260-Q263 PolarHBondContact O-N 3.21Å
261F96.8Very high95.3Very high15 Ų1577.1 Ų77.17%0.06643%0.434CS..Hα-helixtrans-60.8-28.1-174.8-85.7-141.4000112.2I232 I259 Q263 I264 F265 I273 L276 E277 L280I232-F261 HydrophobicContact CG2-CD2 4.48Å; I232-F261 HydrophobicContact CG2-CE2 3.89Å; I232-F261 HydrophobicContact CG2-CZ 4.39Å; I259-F261 PolarHBondContact O-N 3.28Å; F261-Q263 PolarHBondContact O-N 2.97Å; F261-I264 PolarHBondContact O-N 3.44Å; F261-I264 VanDerWaalsContact O-N 3.08Å; F261-F265 HydrophobicContact CB-CD2 4.12Å; F261-F265 HydrophobicContact CB-CE2 4.34Å; F261-F265 HydrophobicContact CD1-CD2 4.15Å; F261-F265 AromaticContact CD1-CE2 3.65Å; F261-F265 HydrophobicContact CD1-CE2 3.65Å; F261-F265 HydrophobicContact CE1-CE2 4.2Å; F261-F265 HydrophobicContact CG-CD2 4.38Å; F261-F265 HydrophobicContact CG-CE2 4.1Å; F261-F265 WeakPolarHBondContact O-CD2 3.42Å; F261-F265 PolarHBondContact O-N 3.46Å; F261-I273 HydrophobicContact CB-CD1 4.21Å; F261-I273 HydrophobicContact CB-CG2 3.87Å; F261-L276 HydrophobicContact CD1-CB 3.71Å; F261-L276 HydrophobicContact CE1-CB 3.87Å; F261-E277 HydrophobicContact CB-CG 4.18Å; F261-E277 HydrophobicContact CD1-CG 4.07Å; F261-E277 HydrophobicContact CD2-CG 4.38Å; F261-E277 HydrophobicContact CG-CG 3.97Å; F261-L280 HydrophobicContact CE1-CB 4.09Å; F261-L280 HydrophobicContact CE1-CD1 3.73Å; F261-L280 HydrophobicContact CE1-CG 4.47Å; F261-L280 HydrophobicContact CZ-CB 3.93Å; F261-L280 HydrophobicContact CZ-CD1 4.04Å
262S96.6Very high95.6Very high69 Ų6973.8 Ų73.848%0.48341%0.414SS..Hα-helixtrans-61.8-24.5172.857.10000114.3P260P260-S262 PolarHBondContact O-N 3.02Å; P260-S262 VanDerWaalsContact O-N 3.1Å
263Q96.5Very high95.8Very high131 Ų13166 Ų6661%0.61238%0.38SS*.Hα-helixtrans-83-22.5174.4-61.3-177.91900112.4I259 P260 F261 T266I259-Q263 HydrophobicContact CG2-CB 4.02Å; P260-Q263 HydrophobicContact CB-CG 4.27Å; P260-Q263 WeakPolarHBondContact O-CB 3.3Å; P260-Q263 PolarHBondContact O-N 3.21Å; F261-Q263 PolarHBondContact O-N 2.97Å; Q263-T266 WeakPolarHBondContact O-CG2 3.47Å
264I95.3Very high96Very high41 Ų4167.5 Ų67.521%0.2139%0.391CS..Hα-helixtrans-88-51.8178.5-60.1173.2000109.9I232 I259 F261 T266I232-I264 HydrophobicContact CB-CD1 4.09Å; I232-I264 HydrophobicContact CD1-CD1 4.15Å; I232-I264 HydrophobicContact CG1-CD1 3.96Å; I232-I264 HydrophobicContact CG2-CD1 3.34Å; I259-I264 HydrophobicContact CB-CD1 4.17Å; I259-I264 HydrophobicContact CB-CG1 4.44Å; I259-I264 HydrophobicContact CG2-CD1 4.1Å; I259-I264 HydrophobicContact CG2-CG1 3.83Å; F261-I264 PolarHBondContact O-N 3.44Å; F261-I264 VanDerWaalsContact O-N 3.08Å; I264-T266 PolarHBondContact O-N 3.47Å
265F96.1Very high96.1Very high8 Ų860.3 Ų60.34%0.03536%0.357CS..SBendtrans-99.764.4-179.1-48.4-75000110A208 L211 L212 L216 F261 A267 A268 I273 L276A208-F265 HydrophobicContact CB-CE1 3.74Å; A208-F265 HydrophobicContact CB-CZ 3.58Å; L211-F265 HydrophobicContact CB-CD1 3.98Å; L211-F265 HydrophobicContact CB-CE1 4.44Å; L211-F265 HydrophobicContact CD1-CB 4.18Å; L211-F265 HydrophobicContact CD1-CD1 3.59Å; L211-F265 HydrophobicContact CD1-CE1 4.17Å; L211-F265 HydrophobicContact CD1-CG 3.97Å; L211-F265 HydrophobicContact CG-CD1 4.46Å; L212-F265 HydrophobicContact CD1-CE1 3.74Å; L212-F265 HydrophobicContact CD1-CZ 4.44Å; L212-F265 HydrophobicContact CD2-CD1 4.14Å; L212-F265 HydrophobicContact CD2-CE1 4.13Å; L212-F265 HydrophobicContact CG-CD1 4.14Å; L212-F265 HydrophobicContact CG-CE1 3.73Å; L216-F265 HydrophobicContact CD1-CE1 4.48Å; L216-F265 HydrophobicContact CD1-CZ 3.99Å; F261-F265 HydrophobicContact CB-CD2 4.12Å; F261-F265 HydrophobicContact CB-CE2 4.34Å; F261-F265 HydrophobicContact CD1-CD2 4.15Å; F261-F265 AromaticContact CD1-CE2 3.65Å; F261-F265 HydrophobicContact CD1-CE2 3.65Å; F261-F265 HydrophobicContact CE1-CE2 4.2Å; F261-F265 HydrophobicContact CG-CD2 4.38Å; F261-F265 HydrophobicContact CG-CE2 4.1Å; F261-F265 WeakPolarHBondContact O-CD2 3.42Å; F261-F265 PolarHBondContact O-N 3.46Å; F265-A267 PolarHBondContact O-N 2.99Å; F265-A267 VanDerWaalsContact O-N 3.09Å; F265-A268 HydrophobicContact CB-CB 3.71Å; F265-A268 WeakPolarHBondContact O-CB 3.05Å; F265-A268 PolarHBondContact O-N 3.25Å; F265-I273 HydrophobicContact CB-CD1 3.77Å; F265-I273 HydrophobicContact CD2-CD1 4.07Å; F265-I273 HydrophobicContact CG-CD1 4.39Å; F265-L276 HydrophobicContact CD2-CD1 3.9Å; F265-L276 HydrophobicContact CE2-CD1 3.87Å; F265-L276 HydrophobicContact CG-CD1 4.32Å; F265-L276 HydrophobicContact CZ-CD1 4.22Å
266T94.6Very high96.3Very high120 Ų12055 Ų5574%0.73633%0.333SS*.THydrogen-bonded Turntrans-60.2-23.6-172.356.80000114.7Q263 I264Q263-T266 WeakPolarHBondContact O-CG2 3.47Å; I264-T266 PolarHBondContact O-N 3.47Å
267A92.5Very high96.5Very high97 Ų9754.2 Ų54.280%0.80233%0.333SS*.THydrogen-bonded Turntrans-94.9-3.1176.700000113.9F265F265-A267 PolarHBondContact O-N 2.99Å; F265-A267 VanDerWaalsContact O-N 3.09Å
268A96Very high96.7Very high22 Ų2252.6 Ų52.618%0.18232%0.322CS..SBendtrans-79.9144.918000000111.4L211 F265 L272 I273L211-A268 HydrophobicContact CD1-CB 4.29Å; F265-A268 HydrophobicContact CB-CB 3.71Å; F265-A268 WeakPolarHBondContact O-CB 3.05Å; F265-A268 PolarHBondContact O-N 3.25Å; A268-L272 HydrophobicContact CB-CB 4.45Å; A268-L272 HydrophobicContact CB-CD2 4.06Å; A268-L272 HydrophobicContact CB-CG 4.35Å; A268-I273 HydrophobicContact CB-CD1 3.75Å; A268-I273 HydrophobicContact CB-CG1 4.17Å
269S96.8Very high96.9Very high48 Ų4850.6 Ų50.634%0.33630%0.301SS..  trans-72.3153.4172.551.50000111.1D271 L272 I273S269-D271 VanDerWaalsContact C-N 3.25Å; S269-D271 WeakPolarHBondContact CB-OD1 3.41Å; S269-D271 PolarHBondContact O-N 3.16Å; S269-D271 PolarHBondContact OG-OD1 3.48Å; S269-L272 WeakPolarHBondContact O-CB 3.22Å; S269-L272 PolarHBondContact O-N 3.39Å; S269-I273 PolarHBondContact O-N 3.49Å
270T97.4Very high96.9Very high109 Ų10947.4 Ų47.467%0.66929%0.285SS*.Hα-helixtrans-56.7-37-177.1-52.70000113.2I273 N274T270-I273 PolarHBondContact O-N 3.45Å; T270-N274 PolarHBondContact O-N 2.76Å; T270-N274 PolarHBondContact O-ND2 2.84Å; T270-N274 PolarHBondContact O-OD1 2.87Å
271D97.8Very high97Very high20 Ų2047 Ų4711%0.10728%0.28CS..Hα-helixtrans-66.2-35.6176.255.5-2.7000113.5S269 L275 S301S269-D271 VanDerWaalsContact C-N 3.25Å; S269-D271 WeakPolarHBondContact CB-OD1 3.41Å; S269-D271 PolarHBondContact O-N 3.16Å; S269-D271 PolarHBondContact OG-OD1 3.48Å; D271-L275 PolarHBondContact O-N 3Å; D271-L275 VanDerWaalsContact O-N 3.07Å; D271-S301 VanDerWaalsContact OD2-CB 3.25Å; D271-S301 WeakPolarHBondContact OD2-CB 3.38Å; D271-S301 PolarHBondContact OD2-OG 2.89Å
272L98.3Very high97Very high6 Ų646.9 Ų46.93%0.03128%0.279CS..Hα-helixtrans-69.6-40172.6-178.251.3000111.5I207 L211 A268 S269 L275 L276 Y298I207-L272 HydrophobicContact CG2-CD1 3.96Å; L211-L272 HydrophobicContact CD1-CD2 3.89Å; L211-L272 HydrophobicContact CD1-CG 4.43Å; L211-L272 HydrophobicContact CD2-CD2 3.88Å; L211-L272 HydrophobicContact CG-CD2 4.39Å; A268-L272 HydrophobicContact CB-CB 4.45Å; A268-L272 HydrophobicContact CB-CD2 4.06Å; A268-L272 HydrophobicContact CB-CG 4.35Å; S269-L272 WeakPolarHBondContact O-CB 3.22Å; S269-L272 PolarHBondContact O-N 3.39Å; L272-L275 HydrophobicContact CD1-CD2 4.4Å; L272-L275 PolarHBondContact O-N 3.16Å; L272-L276 HydrophobicContact CD1-CD1 4.41Å; L272-L276 HydrophobicContact CD1-CG 4.28Å; L272-L276 HydrophobicContact CG-CD1 4.3Å; L272-L276 WeakPolarHBondContact O-CG 3.48Å; L272-L276 PolarHBondContact O-N 3.23Å; L272-Y298 HydrophobicContact CB-CD2 3.68Å; L272-Y298 HydrophobicContact CB-CE2 3.62Å; L272-Y298 HydrophobicContact CB-CG 4.42Å; L272-Y298 HydrophobicContact CD1-CD1 4.24Å; L272-Y298 HydrophobicContact CD1-CD2 4.25Å; L272-Y298 HydrophobicContact CD1-CE1 3.9Å; L272-Y298 HydrophobicContact CD1-CE2 3.92Å; L272-Y298 HydrophobicContact CD1-CG 4.39Å; L272-Y298 HydrophobicContact CD2-CE2 3.95Å; L272-Y298 HydrophobicContact CG-CD2 4.43Å; L272-Y298 HydrophobicContact CG-CE2 4.04Å
273I98.2Very high97Very high11 Ų1144.9 Ų44.96%0.05626%0.263CS..Hα-helixtrans-58.3-50.4173.7-64.1-60.7000110.2F261 F265 A268 S269 T270 L275 L276 E277F261-I273 HydrophobicContact CB-CD1 4.21Å; F261-I273 HydrophobicContact CB-CG2 3.87Å; F265-I273 HydrophobicContact CB-CD1 3.77Å; F265-I273 HydrophobicContact CD2-CD1 4.07Å; F265-I273 HydrophobicContact CG-CD1 4.39Å; A268-I273 HydrophobicContact CB-CD1 3.75Å; A268-I273 HydrophobicContact CB-CG1 4.17Å; S269-I273 PolarHBondContact O-N 3.49Å; T270-I273 PolarHBondContact O-N 3.45Å; I273-L275 VanDerWaalsContact C-N 3.29Å; I273-L275 PolarHBondContact O-N 2.99Å; I273-L276 PolarHBondContact O-N 2.73Å; I273-L276 VanDerWaalsContact O-N 3.09Å; I273-E277 HydrophobicContact CG2-CG 4.34Å; I273-E277 WeakPolarHBondContact O-CG 3.36Å; I273-E277 PolarHBondContact O-N 3.44Å
274N97.7Very high96.9Very high76 Ų7639.5 Ų39.541%0.40624%0.24SC..Hα-helixtrans-59.6-39.5178.8-64.7-11.2000112.3T270 T278T270-N274 PolarHBondContact O-N 2.76Å; T270-N274 PolarHBondContact O-ND2 2.84Å; T270-N274 PolarHBondContact O-OD1 2.87Å; N274-T278 PolarHBondContact O-N 2.63Å; N274-T278 PolarHBondContact O-OG1 3.1Å
275L98.4Very high96.8Very high6 Ų640.4 Ų40.43%0.03125%0.245CC..Hα-helixtrans-61.6-49.2174.1176.961000110.7D271 L272 I273 E277 T278 L279 A293 Y298 F299D271-L275 PolarHBondContact O-N 3Å; D271-L275 VanDerWaalsContact O-N 3.07Å; L272-L275 HydrophobicContact CD1-CD2 4.4Å; L272-L275 PolarHBondContact O-N 3.16Å; I273-L275 VanDerWaalsContact C-N 3.29Å; I273-L275 PolarHBondContact O-N 2.99Å; L275-E277 PolarHBondContact O-N 2.93Å; L275-T278 WeakPolarHBondContact O-CB 3.46Å; L275-T278 PolarHBondContact O-N 2.79Å; L275-L279 HydrophobicContact CD1-CD1 3.9Å; L275-L279 HydrophobicContact CD1-CD2 4.33Å; L275-L279 HydrophobicContact CD1-CG 3.97Å; L275-L279 HydrophobicContact CD2-CD1 4.5Å; L275-L279 HydrophobicContact CG-CD1 3.84Å; L275-L279 HydrophobicContact CG-CG 4.3Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.32Å; L275-L279 PolarHBondContact O-N 3.4Å; L275-A293 HydrophobicContact CD1-CB 4Å; L275-Y298 HydrophobicContact CD2-CD1 3.67Å; L275-Y298 HydrophobicContact CD2-CE1 4.38Å; L275-Y298 HydrophobicContact CD2-CG 4.24Å; L275-F299 HydrophobicContact CD2-CE2 3.89Å; L275-F299 HydrophobicContact CD2-CZ 4Å
276L98.3Very high96.8Very high0 Ų042.1 Ų42.10%026%0.26CS..Hα-helixtrans-62.8-40.9179.8-74.1172.5000112.7I207 A208 L211 F261 F265 L272 I273 T278 L279 L280I207-L276 HydrophobicContact CB-CD2 3.98Å; I207-L276 HydrophobicContact CG2-CD2 3.83Å; A208-L276 HydrophobicContact CB-CD2 4.39Å; L211-L276 HydrophobicContact CD1-CD1 3.84Å; F261-L276 HydrophobicContact CD1-CB 3.71Å; F261-L276 HydrophobicContact CE1-CB 3.87Å; F265-L276 HydrophobicContact CD2-CD1 3.9Å; F265-L276 HydrophobicContact CE2-CD1 3.87Å; F265-L276 HydrophobicContact CG-CD1 4.32Å; F265-L276 HydrophobicContact CZ-CD1 4.22Å; L272-L276 HydrophobicContact CD1-CD1 4.41Å; L272-L276 HydrophobicContact CD1-CG 4.28Å; L272-L276 HydrophobicContact CG-CD1 4.3Å; L272-L276 WeakPolarHBondContact O-CG 3.48Å; L272-L276 PolarHBondContact O-N 3.23Å; I273-L276 PolarHBondContact O-N 2.73Å; I273-L276 VanDerWaalsContact O-N 3.09Å; L276-T278 PolarHBondContact O-N 3.46Å; L276-L279 PolarHBondContact O-N 3.32Å; L276-L280 VanDerWaalsContact O-CB 3.28Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 PolarHBondContact O-N 3.34Å
277E97.6Very high96.9Very high84 Ų8436.4 Ų36.439%0.39323%0.226SC..Hα-helixtrans-60.7-35.2175.6-73.6177.4167.800112.1F261 I273 L275 N281F261-E277 HydrophobicContact CB-CG 4.18Å; F261-E277 HydrophobicContact CD1-CG 4.07Å; F261-E277 HydrophobicContact CD2-CG 4.38Å; F261-E277 HydrophobicContact CG-CG 3.97Å; I273-E277 HydrophobicContact CG2-CG 4.34Å; I273-E277 WeakPolarHBondContact O-CG 3.36Å; I273-E277 PolarHBondContact O-N 3.44Å; L275-E277 PolarHBondContact O-N 2.93Å; E277-N281 PolarHBondContact O-N 2.93Å
278T97.9Very high97Very high67 Ų6733 Ų3341%0.41120%0.199SC..Hα-helixtrans-70.9-52.7174.6-55.10000110.9N274 L275 L276 L280 N281 R287N274-T278 PolarHBondContact O-N 2.63Å; N274-T278 PolarHBondContact O-OG1 3.1Å; L275-T278 WeakPolarHBondContact O-CB 3.46Å; L275-T278 PolarHBondContact O-N 2.79Å; L276-T278 PolarHBondContact O-N 3.46Å; T278-L280 VanDerWaalsContact C-N 3.28Å; T278-L280 PolarHBondContact O-N 3.27Å; T278-N281 WeakPolarHBondContact O-CB 3.36Å; T278-N281 PolarHBondContact O-N 3.48Å; T278-R287 WeakPolarHBondContact O-CA 3.49Å
279L98.5Very high97.1Very high0 Ų034.4 Ų34.40%021%0.206CC..Hα-helixtrans-63.2-33.9-176.6-62.7175.6000112.8I200 V203 I207 L275 L276 A293I200-L279 HydrophobicContact CG2-CB 4.43Å; I200-L279 HydrophobicContact CG2-CD2 3.45Å; I200-L279 VanDerWaalsContact CG2-CD2 3.45Å; V203-L279 HydrophobicContact CG1-CD1 4.24Å; I207-L279 HydrophobicContact CD1-CD1 3.83Å; L275-L279 HydrophobicContact CD1-CD1 3.9Å; L275-L279 HydrophobicContact CD1-CD2 4.33Å; L275-L279 HydrophobicContact CD1-CG 3.97Å; L275-L279 HydrophobicContact CD2-CD1 4.5Å; L275-L279 HydrophobicContact CG-CD1 3.84Å; L275-L279 HydrophobicContact CG-CG 4.3Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.32Å; L275-L279 PolarHBondContact O-N 3.4Å; L276-L279 PolarHBondContact O-N 3.32Å; L279-A293 HydrophobicContact CD2-CB 3.94Å
280L98.2Very high97.2Very high4 Ų432.2 Ų32.22%0.02119%0.19CC..THydrogen-bonded Turntrans-10223.5-178.5-64.9174.6000113W201 L216 F217 F261 L276 T278 L282W201-L280 HydrophobicContact CD2-CD2 3.99Å; W201-L280 HydrophobicContact CE3-CD2 4.11Å; W201-L280 HydrophobicContact CG-CD2 4.46Å; W201-L280 HydrophobicContact CH2-CD2 4.45Å; W201-L280 HydrophobicContact CZ2-CD2 4.32Å; W201-L280 HydrophobicContact CZ3-CB 4.41Å; W201-L280 HydrophobicContact CZ3-CD2 4.36Å; W201-L280 VanDerWaalsContact CZ3-O 3.32Å; W201-L280 WeakPolarHBondContact CZ3-O 3.2Å; L216-L280 HydrophobicContact CD2-CD1 3.62Å; F217-L280 HydrophobicContact CE2-CD2 4.42Å; F261-L280 HydrophobicContact CE1-CB 4.09Å; F261-L280 HydrophobicContact CE1-CD1 3.73Å; F261-L280 HydrophobicContact CE1-CG 4.47Å; F261-L280 HydrophobicContact CZ-CB 3.93Å; F261-L280 HydrophobicContact CZ-CD1 4.04Å; L276-L280 VanDerWaalsContact O-CB 3.28Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 PolarHBondContact O-N 3.34Å; T278-L280 VanDerWaalsContact C-N 3.28Å; T278-L280 PolarHBondContact O-N 3.27Å; L280-L282 PolarHBondContact O-N 3.18Å
281N97.5Very high97.2Very high53 Ų5328.7 Ų28.728%0.28317%0.173SC..  trans-64.6134.8172.6-162.5-61.1000110.5E277 T278 N283 A286 R287E277-N281 PolarHBondContact O-N 2.93Å; T278-N281 WeakPolarHBondContact O-CB 3.36Å; T278-N281 PolarHBondContact O-N 3.48Å; N281-N283 VanDerWaalsContact C-N 3.34Å; N281-N283 PolarHBondContact O-N 3.16Å; N281-N283 PolarHBondContact OD1-N 2.89Å; N281-A286 HydrophobicContact CB-CB 4.26Å; N281-R287 HydrophobicContact CB-CG 4.05Å; N281-R287 PolarHBondContact O-NE 3.47Å; N281-R287 PolarHBondContact O-NH2 2.88Å
282L97.3Very high97.2Very high12 Ų1232.3 Ų32.36%0.06319%0.192CC..SBendtrans-61.8-42.3179.2-74179.8000111.7P185 W201 I229 Y230 T233 P236 W241 L280 P284 R287P185-L282 HydrophobicContact CG-CD2 4.12Å; W201-L282 HydrophobicContact CH2-CD2 4.19Å; W201-L282 HydrophobicContact CZ3-CD2 4.34Å; I229-L282 HydrophobicContact CG2-CD2 3.85Å; Y230-L282 HydrophobicContact CD1-CD1 4.42Å; Y230-L282 HydrophobicContact CD1-CD2 4.37Å; Y230-L282 HydrophobicContact CE1-CD1 4.23Å; Y230-L282 HydrophobicContact CE1-CD2 3.91Å; T233-L282 HydrophobicContact CG2-CD2 4.46Å; P236-L282 HydrophobicContact CB-CD1 4.15Å; W241-L282 HydrophobicContact CD2-CB 4.47Å; W241-L282 HydrophobicContact CE3-CB 3.86Å; L280-L282 PolarHBondContact O-N 3.18Å; L282-P284 VanDerWaalsContact O-CD 3.28Å; L282-P284 WeakPolarHBondContact O-CD 3.41Å; L282-R287 PolarHBondContact O-NH2 3.33Å
283N95.9Very high97.2Very high27 Ų2732.5 Ų32.514%0.14419%0.194CC..SBendtrans-72.8115.8176.3-178.5-0.2000110.7T240 W241 N281 D285 A286T240-N283 WeakPolarHBondContact O-CB 3.27Å; W241-N283 HydrophobicContact CB-CB 4.43Å; W241-N283 HydrophobicContact CG-CB 4.27Å; N281-N283 VanDerWaalsContact C-N 3.34Å; N281-N283 PolarHBondContact O-N 3.16Å; N281-N283 PolarHBondContact OD1-N 2.89Å; N283-D285 PolarHBondContact O-N 2.85Å; N283-D285 VanDerWaalsContact O-N 3.14Å; N283-D285 WeakPolarHBondContact OD1-CB 3.27Å; N283-D285 PolarHBondContact OD1-N 3.17Å; N283-A286 HydrophobicContact CB-CB 4.08Å; N283-A286 PolarHBondContact O-N 3.49Å
284P95.1Very high97.2Very high18 Ų1833 Ų3312%0.11720%0.197CC..G310 helixtrans-57-31.3179.3-22.933.8000113.6E186 W241 L282 A286 R287E186-P284 HydrophobicContact CB-CG 4.17Å; E186-P284 HydrophobicContact CG-CG 4.02Å; W241-P284 HydrophobicContact CZ2-CG 4.22Å; L282-P284 VanDerWaalsContact O-CD 3.28Å; L282-P284 WeakPolarHBondContact O-CD 3.41Å; P284-A286 PolarHBondContact O-N 3.26Å; P284-R287 PolarHBondContact O-N 3.31Å
285D92.9Very high97.2Very high61 Ų6136.9 Ų36.933%0.32621%0.213SC..G310 helixtrans-72.2-19.8-179.3-64.3-28.9000112.7N283N283-D285 PolarHBondContact O-N 2.85Å; N283-D285 VanDerWaalsContact O-N 3.14Å; N283-D285 WeakPolarHBondContact OD1-CB 3.27Å; N283-D285 PolarHBondContact OD1-N 3.17Å
286A95.8Very high97.2Very high43 Ų4337.7 Ų37.736%0.35522%0.219SC..G310 helixtrans-94-7179.900000113.6N281 N283 P284 G288N281-A286 HydrophobicContact CB-CB 4.26Å; N283-A286 HydrophobicContact CB-CB 4.08Å; N283-A286 PolarHBondContact O-N 3.49Å; P284-A286 PolarHBondContact O-N 3.26Å; A286-G288 VanDerWaalsContact C-N 3.27Å; A286-G288 PolarHBondContact O-N 2.96Å
287R96.5Very high97.2Very high1 Ų140.6 Ų40.60%0.00424%0.239CC..SBendtrans-73.2-15.3-179-64.8-178.7-162.6144.411.2114.5E186 G197 I200 T278 N281 L282 P284E186-R287 IonicContact OE1-CZ 3.57Å; E186-R287 IonicContact OE1-NH1 2.71Å; E186-R287 PolarHBondContact OE1-NH1 3.19Å; E186-R287 IonicContact OE1-NH2 3.59Å; E186-R287 IonicContact OE2-CZ 3.43Å; E186-R287 IonicContact OE2-NH1 3.24Å; E186-R287 PolarHBondContact OE2-NH1 3.1Å; E186-R287 IonicContact OE2-NH2 2.73Å; E186-R287 PolarHBondContact OE2-NH2 3.42Å; G197-R287 WeakPolarHBondContact O-CD 3.44Å; G197-R287 PolarHBondContact O-NH1 3.31Å; I200-R287 HydrophobicContact CB-CB 4.48Å; I200-R287 HydrophobicContact CG2-CB 3.96Å; T278-R287 WeakPolarHBondContact O-CA 3.49Å; N281-R287 HydrophobicContact CB-CG 4.05Å; N281-R287 PolarHBondContact O-NE 3.47Å; N281-R287 PolarHBondContact O-NH2 2.88Å; L282-R287 PolarHBondContact O-NH2 3.33Å; P284-R287 PolarHBondContact O-N 3.31Å
288G94.8Very high97.2Very high24 Ų2436.7 Ų36.725%0.24722%0.221CC..  trans64.9-162.1-17200000112.8A286A286-G288 VanDerWaalsContact C-N 3.27Å; A286-G288 PolarHBondContact O-N 2.96Å
289T97.9Very high97.2Very high53 Ų5334.6 Ų34.633%0.32521%0.206SC..  trans-114.7170.3179670000111.3V196 A291 D292 A293V196-T289 HydrophobicContact CG2-CG2 4.41Å; T289-A291 PolarHBondContact O-N 3.19Å; T289-A291 PolarHBondContact OG1-N 2.67Å; T289-D292 WeakPolarHBondContact CB-OD2 3.37Å; T289-D292 PolarHBondContact N-OD2 3.36Å; T289-D292 PolarHBondContact O-N 3.2Å; T289-D292 PolarHBondContact OG1-N 3.49Å; T289-D292 PolarHBondContact OG1-OD2 2.93Å; T289-A293 PolarHBondContact O-N 3.48Å
290A98.4Very high97.1Very high1 Ų139.4 Ų39.41%0.00824%0.236CC..Hα-helixtrans-62.3-33.6173.100000112L125 V128 E129 I200 A293 L294L125-A290 HydrophobicContact CD2-CB 4.18Å; V128-A290 HydrophobicContact CB-CB 4.21Å; V128-A290 HydrophobicContact CG1-CB 3.91Å; E129-A290 HydrophobicContact CB-CB 3.88Å; I200-A290 HydrophobicContact CD1-CB 3.91Å; A290-A293 PolarHBondContact O-N 3.46Å; A290-L294 VanDerWaalsContact O-CG 3.3Å; A290-L294 WeakPolarHBondContact O-CG 3.48Å; A290-L294 PolarHBondContact O-N 2.93Å
291A98.2Very high97Very high36 Ų3640.7 Ų40.730%0.29825%0.245SC..Hα-helixtrans-63.1-44.5173.700000111.4E129 T289 A293 L294 Q295E129-A291 HydrophobicContact CG-CB 4.37Å; E129-A291 WeakPolarHBondContact OE1-CB 3.33Å; T289-A291 PolarHBondContact O-N 3.19Å; T289-A291 PolarHBondContact OG1-N 2.67Å; A291-A293 VanDerWaalsContact C-N 3.34Å; A291-A293 PolarHBondContact O-N 3.35Å; A291-L294 PolarHBondContact O-N 2.98Å; A291-Q295 WeakPolarHBondContact O-CG 3.41Å; A291-Q295 PolarHBondContact O-N 3.25Å
292D97.8Very high96.9Very high96 Ų9645.9 Ų45.951%0.51327%0.265SS..Hα-helixtrans-61.1-43.8175.9-58.1-49000111.2T289 L294 Q295T289-D292 WeakPolarHBondContact CB-OD2 3.37Å; T289-D292 PolarHBondContact N-OD2 3.36Å; T289-D292 PolarHBondContact O-N 3.2Å; T289-D292 PolarHBondContact OG1-N 3.49Å; T289-D292 PolarHBondContact OG1-OD2 2.93Å; D292-L294 VanDerWaalsContact C-N 3.32Å; D292-L294 PolarHBondContact O-N 3.06Å; D292-Q295 PolarHBondContact O-N 3.16Å; D292-Q295 VanDerWaalsContact O-N 3.1Å
293A98.5Very high96.9Very high9 Ų948.2 Ų48.27%0.07428%0.281CS..Hα-helixtrans-61.8-38.1177.800000112.6L125 L275 L279 T289 A290 A291 Q295 S296 F299L125-A293 HydrophobicContact CD1-CB 3.93Å; L125-A293 HydrophobicContact CD2-CB 3.75Å; L275-A293 HydrophobicContact CD1-CB 4Å; L279-A293 HydrophobicContact CD2-CB 3.94Å; T289-A293 PolarHBondContact O-N 3.48Å; A290-A293 PolarHBondContact O-N 3.46Å; A291-A293 VanDerWaalsContact C-N 3.34Å; A291-A293 PolarHBondContact O-N 3.35Å; A293-Q295 PolarHBondContact O-N 3.48Å; A293-S296 WeakPolarHBondContact O-CB 3.44Å; A293-S296 PolarHBondContact O-N 2.7Å; A293-S296 VanDerWaalsContact O-N 3.08Å; A293-F299 WeakPolarHBondContact O-CD2 3.13Å; A293-F299 WeakPolarHBondContact O-CE2 3.48Å
294L98.3Very high97Very high23 Ų2353.5 Ų53.512%0.1230%0.3CS..Hα-helixtrans-65.9-22.8176-74.3166000113.2L122 L125 R126 E129 A290 A291 D292 S296L122-L294 HydrophobicContact CD1-CD2 3.56Å; L125-L294 HydrophobicContact CB-CD1 4.44Å; L125-L294 HydrophobicContact CB-CD2 3.67Å; L125-L294 HydrophobicContact CB-CG 3.9Å; L125-L294 HydrophobicContact CD1-CD2 4.44Å; R126-L294 HydrophobicContact CG-CD1 4.36Å; R126-L294 HydrophobicContact CG-CD2 4.11Å; E129-L294 HydrophobicContact CB-CD1 3.99Å; E129-L294 VanDerWaalsContact CD-CD1 3.46Å; E129-L294 HydrophobicContact CG-CD1 4.26Å; E129-L294 VanDerWaalsContact OE2-CD1 3.29Å; E129-L294 WeakPolarHBondContact OE2-CD1 3.26Å; A290-L294 VanDerWaalsContact O-CG 3.3Å; A290-L294 WeakPolarHBondContact O-CG 3.48Å; A290-L294 PolarHBondContact O-N 2.93Å; A291-L294 PolarHBondContact O-N 2.98Å; D292-L294 VanDerWaalsContact C-N 3.32Å; D292-L294 PolarHBondContact O-N 3.06Å; L294-S296 VanDerWaalsContact C-N 3.29Å
295Q97.8Very high97.1Very high157 Ų15754.5 Ų54.573%0.73431%0.306SS*.THydrogen-bonded Turntrans-83.7-1.4173.5-59-52.3-53.500113.5A291 D292 A293A291-Q295 WeakPolarHBondContact O-CG 3.41Å; A291-Q295 PolarHBondContact O-N 3.25Å; D292-Q295 PolarHBondContact O-N 3.16Å; D292-Q295 VanDerWaalsContact O-N 3.1Å; A293-Q295 PolarHBondContact O-N 3.48Å
296S97.7Very high97.4Very high22 Ų2252.5 Ų52.515%0.15430%0.296CS..SBendtrans-57.7142.5177.1176.70000111.8A293 L294 Y298 F299A293-S296 WeakPolarHBondContact O-CB 3.44Å; A293-S296 PolarHBondContact O-N 2.7Å; A293-S296 VanDerWaalsContact O-N 3.08Å; L294-S296 VanDerWaalsContact C-N 3.29Å; S296-Y298 PolarHBondContact O-N 3Å; S296-Y298 PolarHBondContact OG-N 3.19Å; S296-F299 PolarHBondContact O-N 3.45Å
297S97.7Very high97.5Very high62 Ų6253.4 Ų53.443%0.43430%0.299SS..G310 helixtrans-56.5-22.9173.158.30000112.6F299 T300 S301S297-F299 PolarHBondContact O-N 3.4Å; S297-T300 PolarHBondContact O-N 3.43Å; S297-T300 VanDerWaalsContact O-N 3.12Å; S297-T300 PolarHBondContact O-OG1 2.97Å; S297-S301 VanDerWaalsContact O-CB 3.31Å; S297-S301 WeakPolarHBondContact O-CB 3.32Å; S297-S301 PolarHBondContact O-N 3.22Å; S297-S301 PolarHBondContact O-OG 3.41Å
298Y98.3Very high97.5Very high2 Ų257 Ų571%0.00832%0.316CS..G310 helixtrans-54.9-37173.5-179.6-116.4000112.7K118 L272 L275 S296 S301K118-Y298 WeakPolarHBondContact CA-OH 3.49Å; K118-Y298 HydrophobicContact CB-CE1 4.03Å; K118-Y298 WeakPolarHBondContact CB-OH 3.28Å; K118-Y298 VanDerWaalsContact CD-O 3.31Å; K118-Y298 WeakPolarHBondContact CD-O 3.28Å; K118-Y298 VanDerWaalsContact CE-CE2 3.46Å; K118-Y298 WeakPolarHBondContact CE-O 3.28Å; K118-Y298 HydrophobicContact CG-CD1 4.3Å; K118-Y298 HydrophobicContact CG-CE1 3.74Å; K118-Y298 HydrophobicContact CG-CE2 4.48Å; K118-Y298 PolarHBondContact N-OH 3.36Å; K118-Y298 PolarHBondContact NZ-O 3.08Å; L272-Y298 HydrophobicContact CB-CD2 3.68Å; L272-Y298 HydrophobicContact CB-CE2 3.62Å; L272-Y298 HydrophobicContact CB-CG 4.42Å; L272-Y298 HydrophobicContact CD1-CD1 4.24Å; L272-Y298 HydrophobicContact CD1-CD2 4.25Å; L272-Y298 HydrophobicContact CD1-CE1 3.9Å; L272-Y298 HydrophobicContact CD1-CE2 3.92Å; L272-Y298 HydrophobicContact CD1-CG 4.39Å; L272-Y298 HydrophobicContact CD2-CE2 3.95Å; L272-Y298 HydrophobicContact CG-CD2 4.43Å; L272-Y298 HydrophobicContact CG-CE2 4.04Å; L275-Y298 HydrophobicContact CD2-CD1 3.67Å; L275-Y298 HydrophobicContact CD2-CE1 4.38Å; L275-Y298 HydrophobicContact CD2-CG 4.24Å; S296-Y298 PolarHBondContact O-N 3Å; S296-Y298 PolarHBondContact OG-N 3.19Å; Y298-S301 PolarHBondContact O-OG 3.4Å
299F98.1Very high97.5Very high22 Ų2262 Ų6210%0.09634%0.336CS..G310 helixtrans-86.1-10-178.5-63.3-65.6000114K118 L122 L125 L275 A293 S296 S297K118-F299 HydrophobicContact CG-CD1 3.95Å; K118-F299 HydrophobicContact CG-CE1 4.22Å; L122-F299 HydrophobicContact CB-CD1 4Å; L122-F299 HydrophobicContact CB-CE1 3.83Å; L122-F299 HydrophobicContact CD1-CD1 3.89Å; L122-F299 HydrophobicContact CD1-CE1 4.28Å; L122-F299 HydrophobicContact CD1-CG 4.19Å; L122-F299 HydrophobicContact CG-CD1 4.44Å; L125-F299 HydrophobicContact CD1-CE2 3.54Å; L125-F299 HydrophobicContact CD1-CZ 3.5Å; L125-F299 VanDerWaalsContact CD1-CZ 3.5Å; L275-F299 HydrophobicContact CD2-CE2 3.89Å; L275-F299 HydrophobicContact CD2-CZ 4Å; A293-F299 WeakPolarHBondContact O-CD2 3.13Å; A293-F299 WeakPolarHBondContact O-CE2 3.48Å; S296-F299 PolarHBondContact O-N 3.45Å; S297-F299 PolarHBondContact O-N 3.4Å
300T96.4Very high97.5Very high102 Ų10265.4 Ų65.463%0.62635%0.349SS*.THydrogen-bonded Turntrans-107-18.9178.858.10000113.2S297S297-T300 PolarHBondContact O-N 3.43Å; S297-T300 VanDerWaalsContact O-N 3.12Å; S297-T300 PolarHBondContact O-OG1 2.97Å
301S96Very high97.4Very high31 Ų3165.8 Ų65.822%0.21735%0.35CS..SBendtrans-78.4157.7177.471.50000113.2K118 D271 S297 Y298 P303K118-S301 PolarHBondContact NZ-O 3.06Å; K118-S301 PolarHBondContact NZ-OG 3.39Å; K118-S301 VanDerWaalsContact NZ-OG 3.11Å; D271-S301 VanDerWaalsContact OD2-CB 3.25Å; D271-S301 WeakPolarHBondContact OD2-CB 3.38Å; D271-S301 PolarHBondContact OD2-OG 2.89Å; S297-S301 VanDerWaalsContact O-CB 3.31Å; S297-S301 WeakPolarHBondContact O-CB 3.32Å; S297-S301 PolarHBondContact O-N 3.22Å; S297-S301 PolarHBondContact O-OG 3.41Å; Y298-S301 PolarHBondContact O-OG 3.4Å; S301-P303 CarbonylContact O-C 3.38Å
302K96.2Very high97.3Very high162 Ų16265.3 Ų65.370%0.70434%0.344SS*.SBendtrans-73.1148.6164.5-71.6-176.9179.6179.20110.4Y304K302-Y304 HydrophobicContact CG-CD2 4.36Å; K302-Y304 HydrophobicContact CG-CE1 4.31Å; K302-Y304 HydrophobicContact CG-CE2 3.93Å
303P96.4Very high97.1Very high60 Ų6063.6 Ų63.639%0.3933%0.333SS..SBendcis-71.7145.5-4.230.3-34.2000111.4P114 A115 K118 S301P114-P303 HydrophobicContact CB-CG 3.99Å; A115-P303 HydrophobicContact CB-CB 4.37Å; K118-P303 VanDerWaalsContact CD-O 3.26Å; K118-P303 WeakPolarHBondContact CD-O 3.49Å; K118-P303 WeakPolarHBondContact CE-O 3.31Å; K118-P303 PolarHBondContact NZ-O 2.9Å; S301-P303 CarbonylContact O-C 3.38Å
304Y97.4Very high96.7Very high139 Ų13963.8 Ų63.855%0.54533%0.334SS..PPolyproline II helixtrans-72.1159.9176.9-62.9-54.5000111.4A115 K302 T306A115-Y304 VanDerWaalsContact CB-O 3.31Å; A115-Y304 WeakPolarHBondContact CB-O 3.32Å; K302-Y304 HydrophobicContact CG-CD2 4.36Å; K302-Y304 HydrophobicContact CG-CE1 4.31Å; K302-Y304 HydrophobicContact CG-CE2 3.93Å; Y304-T306 PolarHBondContact O-N 3.45Å
305P98Very high95.9Very high39 Ų3968.8 Ų68.825%0.25335%0.354SS..PPolyproline II helixtrans-55.1136.7175.1-20.429.3000111.8K118 A119 L122K118-P305 HydrophobicContact CD-CG 4.08Å; K118-P305 HydrophobicContact CG-CG 4.02Å; A119-P305 HydrophobicContact CB-CB 3.87Å; L122-P305 HydrophobicContact CD2-CB 4.42Å; L122-P305 HydrophobicContact CD2-CG 3.92Å
306T98.3Very high94.1Very high18 Ų1865.7 Ų65.711%0.1135%0.346CS..PPolyproline II helixtrans-61135.9170.8-62.30000110.5A115 H116 A119 Y304 E310 L311A115-T306 VanDerWaalsContact C-OG1 3.31Å; A115-T306 WeakPolarHBondContact CB-OG1 3.26Å; A115-T306 PolarHBondContact O-N 3.22Å; A115-T306 VanDerWaalsContact O-N 3.11Å; H116-T306 PolarHBondContact CD2-OG1 3.42Å; H116-T306 PolarHBondContact N-OG1 2.93Å; A119-T306 WeakPolarHBondContact CB-O 3.41Å; Y304-T306 PolarHBondContact O-N 3.45Å; T306-E310 HydrophobicContact CG2-CB 3.64Å; T306-L311 HydrophobicContact CG2-CD2 4.48Å
307P97.8Very high92.2Very high63 Ų6366.8 Ų66.841%0.40935%0.35SS..PPolyproline II helixtrans-53.8145.6172.5-26.735.7000112.4N309 E310 L311P307-N309 VanDerWaalsContact C-N 3.31Å; P307-N309 WeakPolarHBondContact CB-OD1 3.33Å; P307-N309 PolarHBondContact O-N 2.97Å; P307-E310 HydrophobicContact CB-CB 4.47Å; P307-E310 HydrophobicContact CB-CG 4.39Å; P307-E310 PolarHBondContact O-N 3.3Å; P307-L311 PolarHBondContact O-N 3.14Å
308E97Very high89.9Confident77 Ų7773 Ų7336%0.3636%0.364SS..G310 helixtrans-54.3-46.7-174.8-63.4178.5175.300112.1Q151 G152 K153 E310 L311Q151-E308 CarbonylContact O-C 3.59Å; Q151-E308 WeakPolarHBondContact O-CB 3.22Å; G152-E308 VanDerWaalsContact CA-O 3.31Å; G152-E308 WeakPolarHBondContact CA-O 3.4Å; K153-E308 VanDerWaalsContact CE-OE2 3.22Å; K153-E308 WeakPolarHBondContact CE-OE2 3.32Å; K153-E308 WeakPolarHBondContact CG-OE2 3.5Å; E308-E310 PolarHBondContact O-N 3.46Å; E308-E310 VanDerWaalsContact O-N 3.1Å; E308-L311 WeakPolarHBondContact O-CB 3.36Å; E308-L311 PolarHBondContact O-N 2.82Å; E308-L311 VanDerWaalsContact O-N 3.1Å
309N95.4Very high87.8Confident128 Ų12877.2 Ų77.268%0.68439%0.391SS*.G310 helixtrans-66.5-11.6-179.365.1-40.2000114.7Q151 P307Q151-N309 PolarHBondContact O-N 3.48Å; P307-N309 VanDerWaalsContact C-N 3.31Å; P307-N309 WeakPolarHBondContact CB-OD1 3.33Å; P307-N309 PolarHBondContact O-N 2.97Å
310E96.9Very high86.1Confident125 Ų12577 Ų7758%0.58439%0.391SS*.G310 helixtrans-104.8-3178.3-66.8178.2-165.700112.5T306 P307 E308T306-E310 HydrophobicContact CG2-CB 3.64Å; P307-E310 HydrophobicContact CB-CB 4.47Å; P307-E310 HydrophobicContact CB-CG 4.39Å; P307-E310 PolarHBondContact O-N 3.3Å; E308-E310 PolarHBondContact O-N 3.46Å; E308-E310 VanDerWaalsContact O-N 3.1Å
311L96.8Very high84.4Confident8 Ų874.4 Ų74.44%0.04238%0.38CS..SBendtrans-63.7136.4175.4-79.1169.7000111H116 A119 L120 G152 T306 P307 E308H116-L311 HydrophobicContact CB-CD2 4.26Å; A119-L311 HydrophobicContact CB-CD1 4.43Å; A119-L311 HydrophobicContact CB-CD2 3.98Å; L120-L311 HydrophobicContact CD2-CD1 4.28Å; L120-L311 HydrophobicContact CD2-CD2 4.35Å; L120-L311 HydrophobicContact CG-CD2 4.38Å; G152-L311 VanDerWaalsContact O-CD1 3.24Å; G152-L311 WeakPolarHBondContact O-CD1 3.04Å; T306-L311 HydrophobicContact CG2-CD2 4.48Å; P307-L311 PolarHBondContact O-N 3.14Å; E308-L311 WeakPolarHBondContact O-CB 3.36Å; E308-L311 PolarHBondContact O-N 2.82Å; E308-L311 VanDerWaalsContact O-N 3.1Å
312P95.9Very high82.9Confident26 Ų2675.4 Ų75.417%0.16939%0.387CS..  trans-64.4151.7179.926.8-33.4000111L104 V110 L112L104-P312 HydrophobicContact CD1-CB 4.35Å; L104-P312 HydrophobicContact CD1-CG 4.24Å; L104-P312 WeakPolarHBondContact CD1-O 3.37Å; V110-P312 HydrophobicContact CG1-CB 3.7Å; V110-P312 HydrophobicContact CG1-CG 3.85Å; L112-P312 HydrophobicContact CD2-CG 3.75Å
313Q93.8Very high81.5Confident61 Ų6169.9 Ų69.929%0.28536%0.364SS..  trans-116.1140.9175.9-62.3-68.5-38.400108.5S149S149-Q313 PolarHBondContact O-NE2 2.83Å; S149-Q313 VanDerWaalsContact O-NE2 3.12Å
314P90.7Very high80.2Confident13 Ų1368.7 Ų68.78%0.08436%0.355CS..  trans-68.1143.3174.626.2-28000110.5S99 A103 L104 D107 V316S99-P314 WeakPolarHBondContact OG-CG 3.21Å; A103-P314 HydrophobicContact CB-CB 4.42Å; A103-P314 HydrophobicContact CB-CG 4.2Å; A103-P314 WeakPolarHBondContact O-CB 3.38Å; L104-P314 HydrophobicContact CB-CG 4.47Å; D107-P314 HydrophobicContact CB-CB 4.18Å; D107-P314 WeakPolarHBondContact OD2-CA 3.49Å; P314-V316 PolarHBondContact O-N 3.25Å
315K80.9Confident78.9Confident127 Ų12768 Ų6855%0.55236%0.356SS*.G310 helixtrans-71.3-22.9171.6-65.1-173.9-171.3170.20111.5D107 T109 N317 R318D107-K315 PolarHBondContact OD2-N 3.47Å; T109-K315 HydrophobicContact CG2-CD 4.33Å; T109-K315 VanDerWaalsContact OG1-CD 3.27Å; T109-K315 WeakPolarHBondContact OG1-CD 3.33Å; T109-K315 WeakPolarHBondContact OG1-CE 3.41Å; K315-N317 PolarHBondContact O-N 3.23Å; K315-N317 VanDerWaalsContact O-N 3.17Å; K315-R318 WeakPolarHBondContact O-CG 3.2Å; K315-R318 PolarHBondContact O-N 3.01Å
316V59.7Low77.3Confident93 Ų9371.4 Ų71.456%0.56437%0.369SS*.G310 helixtrans-69.6-11.3-167.6-177.80000113.8P314 R318P314-V316 PolarHBondContact O-N 3.25Å; V316-R318 PolarHBondContact O-N 2.97Å
317N57.8Low75.8Confident45 Ų4571.7 Ų71.724%0.24137%0.369CS..G310 helixtrans-75.322.7170.2-108.3-55.6000115.2S98 S99 K315 T319 V320 A321S98-N317 PolarHBondContact O-ND2 3.26Å; S99-N317 VanDerWaalsContact CA-ND2 3.3Å; S99-N317 WeakPolarHBondContact CA-ND2 3.22Å; S99-N317 VanDerWaalsContact CB-ND2 3.32Å; S99-N317 WeakPolarHBondContact CB-ND2 3.48Å; S99-N317 PolarHBondContact OG-ND2 3.04Å; S99-N317 VanDerWaalsContact OG-ND2 3.11Å; K315-N317 PolarHBondContact O-N 3.23Å; K315-N317 VanDerWaalsContact O-N 3.17Å; N317-T319 PolarHBondContact O-N 2.97Å; N317-T319 VanDerWaalsContact O-N 3.07Å; N317-V320 PolarHBondContact O-N 2.67Å; N317-V320 WeakPolarHBondContact OD1-CG2 3.31Å; N317-A321 PolarHBondContact O-N 3.32Å
318R49.3Very low74.4Confident191 Ų19174.2 Ų74.272%0.72138%0.375SS*.Hα-helixtrans-50.7-27.8168-81.9-178.1-172.7-1691.1112.3K315 V316 S322K315-R318 WeakPolarHBondContact O-CG 3.2Å; K315-R318 PolarHBondContact O-N 3.01Å; V316-R318 PolarHBondContact O-N 2.97Å; R318-S322 WeakPolarHBondContact O-CA 3.36Å; R318-S322 WeakPolarHBondContact O-CB 3.42Å; R318-S322 PolarHBondContact O-N 3.08Å; R318-S322 PolarHBondContact O-OG 3.32Å
319T54.8Low73Confident92 Ų9276.6 Ų76.656%0.56439%0.386SS*.Hα-helixtrans-69.4-47.7179.4-37.90000111.5N317 S322 L323N317-T319 PolarHBondContact O-N 2.97Å; N317-T319 VanDerWaalsContact O-N 3.07Å; T319-S322 PolarHBondContact O-N 3.23Å; T319-S322 PolarHBondContact O-OG 3.24Å; T319-L323 HydrophobicContact CG2-CD1 4.16Å; T319-L323 VanDerWaalsContact O-CB 3.29Å; T319-L323 WeakPolarHBondContact O-CB 3.44Å; T319-L323 WeakPolarHBondContact O-CD1 3.44Å; T319-L323 WeakPolarHBondContact O-CG 3.41Å; T319-L323 PolarHBondContact O-N 3.35Å
320V62.1Low71.3Confident18 Ų1876.5 Ų76.511%0.10938%0.382CS..Hα-helixtrans-73.3-38.5178-1740000111L20 L30 F96 N317 S322 L323 L324L20-V320 HydrophobicContact CD2-CG1 4.17Å; L20-V320 HydrophobicContact CD2-CG2 3.61Å; L30-V320 HydrophobicContact CD2-CG1 4.19Å; F96-V320 HydrophobicContact CE1-CG1 4.38Å; F96-V320 HydrophobicContact CE2-CG1 3.95Å; F96-V320 HydrophobicContact CZ-CB 4.37Å; F96-V320 HydrophobicContact CZ-CG1 3.49Å; F96-V320 VanDerWaalsContact CZ-CG1 3.49Å; N317-V320 PolarHBondContact O-N 2.67Å; N317-V320 WeakPolarHBondContact OD1-CG2 3.31Å; V320-S322 VanDerWaalsContact C-N 3.34Å; V320-S322 PolarHBondContact O-N 2.89Å; V320-L323 PolarHBondContact O-N 3.09Å; V320-L324 HydrophobicContact CG1-CD1 4.04Å; V320-L324 HydrophobicContact CG1-CG 4.25Å; V320-L324 VanDerWaalsContact O-CB 3.29Å; V320-L324 WeakPolarHBondContact O-CB 3.36Å; V320-L324 VanDerWaalsContact O-CG 3.26Å; V320-L324 WeakPolarHBondContact O-CG 2.95Å; V320-L324 PolarHBondContact O-N 2.93Å
321A62.3Low69.5Low47 Ų4776.2 Ų76.239%0.38838%0.375SS..Hα-helixtrans-62.5-39.6173.900000112.3N317 H325N317-A321 PolarHBondContact O-N 3.32Å; A321-H325 WeakPolarHBondContact O-CB 3.32Å; A321-H325 PolarHBondContact O-CD2 2.97Å; A321-H325 VanDerWaalsContact O-CD2 3.28Å; A321-H325 PolarHBondContact O-N 3.03Å
322S62.6Low67.4Low52 Ų5278.4 Ų78.436%0.36440%0.399SS..Hα-helixtrans-70.9-39.5176.269.70000111.9R318 T319 V320 L324 H325 Q326R318-S322 WeakPolarHBondContact O-CA 3.36Å; R318-S322 WeakPolarHBondContact O-CB 3.42Å; R318-S322 PolarHBondContact O-N 3.08Å; R318-S322 PolarHBondContact O-OG 3.32Å; T319-S322 PolarHBondContact O-N 3.23Å; T319-S322 PolarHBondContact O-OG 3.24Å; V320-S322 VanDerWaalsContact C-N 3.34Å; V320-S322 PolarHBondContact O-N 2.89Å; S322-L324 VanDerWaalsContact C-N 3.35Å; S322-H325 PolarHBondContact O-N 3.24Å; S322-Q326 WeakPolarHBondContact O-CB 3.07Å; S322-Q326 VanDerWaalsContact O-CG 3.25Å; S322-Q326 WeakPolarHBondContact O-CG 3.21Å; S322-Q326 PolarHBondContact O-N 3.31Å
323L67.2Low65.2Low45 Ų4582.6 Ų82.624%0.23642%0.42CS..Hα-helixtrans-64.4-40.1174.6-71.5168.2000111.5C18 T319 V320 Q326 H327C18-L323 HydrophobicContact CB-CB 4.31Å; C18-L323 HydrophobicContact CB-CD1 4.17Å; C18-L323 HydrophobicContact CB-CD2 4.32Å; T319-L323 HydrophobicContact CG2-CD1 4.16Å; T319-L323 VanDerWaalsContact O-CB 3.29Å; T319-L323 WeakPolarHBondContact O-CB 3.44Å; T319-L323 WeakPolarHBondContact O-CD1 3.44Å; T319-L323 WeakPolarHBondContact O-CG 3.41Å; T319-L323 PolarHBondContact O-N 3.35Å; V320-L323 PolarHBondContact O-N 3.09Å; L323-Q326 PolarHBondContact O-N 3.47Å; L323-H327 WeakPolarHBondContact O-CB 3.26Å; L323-H327 PolarHBondContact O-N 3.15Å
324L68.6Low62.7Low35 Ų3587.7 Ų87.718%0.18344%0.443CS..Hα-helixtrans-64.9-48.1173.7-77.1173.3000111.4L30 L40 V320 S322 Q326 H327 E328L30-L324 HydrophobicContact CD2-CD2 3.69Å; L30-L324 HydrophobicContact CD2-CG 4.12Å; L40-L324 HydrophobicContact CD1-CD1 4.05Å; L40-L324 HydrophobicContact CD1-CD2 3.73Å; L40-L324 HydrophobicContact CD2-CD2 4.08Å; V320-L324 HydrophobicContact CG1-CD1 4.04Å; V320-L324 HydrophobicContact CG1-CG 4.25Å; V320-L324 VanDerWaalsContact O-CB 3.29Å; V320-L324 WeakPolarHBondContact O-CB 3.36Å; V320-L324 VanDerWaalsContact O-CG 3.26Å; V320-L324 WeakPolarHBondContact O-CG 2.95Å; V320-L324 PolarHBondContact O-N 2.93Å; S322-L324 VanDerWaalsContact C-N 3.35Å; L324-Q326 VanDerWaalsContact C-N 3.31Å; L324-Q326 PolarHBondContact O-N 3.07Å; L324-H327 WeakPolarHBondContact O-CB 3.42Å; L324-H327 PolarHBondContact O-N 2.97Å; L324-H327 VanDerWaalsContact O-N 3.13Å; L324-E328 WeakPolarHBondContact O-CG 3.44Å; L324-E328 PolarHBondContact O-N 3.34Å
325H70Confident60.1Low124 Ų12493.8 Ų93.857%0.57448%0.475SS*.Hα-helixtrans-61.2-37.6175.2-83.8-47.7000112.7A321 S322 E328 H329A321-H325 WeakPolarHBondContact O-CB 3.32Å; A321-H325 PolarHBondContact O-CD2 2.97Å; A321-H325 VanDerWaalsContact O-CD2 3.28Å; A321-H325 PolarHBondContact O-N 3.03Å; S322-H325 PolarHBondContact O-N 3.24Å; H325-E328 IonicContact CE1-OE2 3.48Å; H325-E328 IonicContact ND1-OE2 3.28Å; H325-E328 PolarHBondContact ND1-OE2 3.14Å; H325-E328 VanDerWaalsContact ND1-OE2 3.17Å; H325-E328 PolarHBondContact O-N 3.32Å; H325-H329 VanDerWaalsContact O-CB 3.26Å; H325-H329 WeakPolarHBondContact O-CB 3.31Å; H325-H329 PolarHBondContact O-N 2.89Å
326Q65.2Low57.7Low112 Ų11292.3 Ų92.352%0.52348%0.478SS..Hα-helixtrans-63.5-43.1173.2-78.4175.51.500111.4S322 L323 L324 H329 Q330S322-Q326 WeakPolarHBondContact O-CB 3.07Å; S322-Q326 VanDerWaalsContact O-CG 3.25Å; S322-Q326 WeakPolarHBondContact O-CG 3.21Å; S322-Q326 PolarHBondContact O-N 3.31Å; L323-Q326 PolarHBondContact O-N 3.47Å; L324-Q326 VanDerWaalsContact C-N 3.31Å; L324-Q326 PolarHBondContact O-N 3.07Å; Q326-H329 PolarHBondContact O-N 3.11Å; Q326-Q330 WeakPolarHBondContact O-CB 3.35Å; Q326-Q330 VanDerWaalsContact O-CG 3.27Å; Q326-Q330 WeakPolarHBondContact O-CG 3.31Å; Q326-Q330 PolarHBondContact O-N 3.07Å
327H67Low56.3Low24 Ų2495.3 Ų95.311%0.11149%0.491CS..Hα-helixtrans-65.6-43.3176.7-177.677.4000112.1V17 L323 L324 H329 Q330 R331V17-H327 HydrophobicContact CG1-CB 3.97Å; L323-H327 WeakPolarHBondContact O-CB 3.26Å; L323-H327 PolarHBondContact O-N 3.15Å; L324-H327 WeakPolarHBondContact O-CB 3.42Å; L324-H327 PolarHBondContact O-N 2.97Å; L324-H327 VanDerWaalsContact O-N 3.13Å; H327-H329 PolarHBondContact O-N 3.48Å; H327-Q330 PolarHBondContact O-N 2.87Å; H327-R331 PolarHBondContact NE2-NH1 3.08Å; H327-R331 PolarHBondContact O-N 2.97Å
328E68Low55.1Low115 Ų11599.3 Ų99.354%0.53751%0.512SS..Hα-helixtrans-60-44.8173.8-73173.3166.600111.5L324 H325 Q330 R331 G332L324-E328 WeakPolarHBondContact O-CG 3.44Å; L324-E328 PolarHBondContact O-N 3.34Å; H325-E328 IonicContact CE1-OE2 3.48Å; H325-E328 IonicContact ND1-OE2 3.28Å; H325-E328 PolarHBondContact ND1-OE2 3.14Å; H325-E328 VanDerWaalsContact ND1-OE2 3.17Å; H325-E328 PolarHBondContact O-N 3.32Å; E328-Q330 VanDerWaalsContact C-N 3.32Å; E328-Q330 PolarHBondContact O-N 3.36Å; E328-R331 PolarHBondContact O-N 2.85Å; E328-G332 PolarHBondContact O-N 3.3Å
329H67.3Low54.2Low128 Ų12895.8 Ų95.859%0.59351%0.513SS*.Hα-helixtrans-64.3-36.8176.9-164.8-67.7000111.7H325 Q326 H327 G332 L333H325-H329 VanDerWaalsContact O-CB 3.26Å; H325-H329 WeakPolarHBondContact O-CB 3.31Å; H325-H329 PolarHBondContact O-N 2.89Å; Q326-H329 PolarHBondContact O-N 3.11Å; H327-H329 PolarHBondContact O-N 3.48Å; H329-G332 PolarHBondContact O-N 3.16Å; H329-L333 WeakPolarHBondContact ND1-CD1 3.07Å; H329-L333 WeakPolarHBondContact O-CB 3.25Å; H329-L333 WeakPolarHBondContact O-CD1 3.44Å; H329-L333 VanDerWaalsContact O-CG 3.32Å; H329-L333 WeakPolarHBondContact O-CG 3.2Å; H329-L333 PolarHBondContact O-N 3.46Å
330Q59.4Low53.1Low126 Ų12693.8 Ų93.859%0.58951%0.511SS*.Hα-helixtrans-66.8-39.1173.9-75.8175.54.500112.3Q326 H327 E328 L333 H334Q326-Q330 WeakPolarHBondContact O-CB 3.35Å; Q326-Q330 VanDerWaalsContact O-CG 3.27Å; Q326-Q330 WeakPolarHBondContact O-CG 3.31Å; Q326-Q330 PolarHBondContact O-N 3.07Å; H327-Q330 PolarHBondContact O-N 2.87Å; E328-Q330 VanDerWaalsContact C-N 3.32Å; E328-Q330 PolarHBondContact O-N 3.36Å; Q330-L333 PolarHBondContact O-N 3.29Å; Q330-H334 PolarHBondContact O-N 2.9Å; Q330-H334 VanDerWaalsContact O-N 3.13Å
331R61Low51.7Low119 Ų119100.9 Ų100.945%0.44955%0.548SS..Hα-helixtrans-67.5-38.8173.2-71.8-170.2115.1129.9-2.4112.5E15 Q32 H327 E328 L333 H334E15-R331 IonicContact OE2-NH1 3.96Å; E15-R331 IonicContact OE2-NH2 2.95Å; E15-R331 PolarHBondContact OE2-NH2 3.05Å; Q32-R331 VanDerWaalsContact CD-NH1 3.27Å; Q32-R331 VanDerWaalsContact NE2-NH1 3.17Å; H327-R331 PolarHBondContact NE2-NH1 3.08Å; H327-R331 PolarHBondContact O-N 2.97Å; E328-R331 PolarHBondContact O-N 2.85Å; R331-L333 VanDerWaalsContact C-N 3.31Å; R331-L333 PolarHBondContact O-N 2.83Å; R331-H334 PolarHBondContact O-N 3.38Å
332G52Low50.3Low53 Ų53103 Ų10355%0.54657%0.566SS.*Hα-helixtrans-64-34.3174.300000113.1E328 H329E328-G332 PolarHBondContact O-N 3.3Å; H329-G332 PolarHBondContact O-N 3.16Å
333L49.1Very low49.1Very low114 Ų114110.3 Ų110.360%0.59759%0.591SS**Hα-helixtrans-75.3-23.4174.7-78.4162.2000113.7H329 Q330 R331 N335H329-L333 WeakPolarHBondContact ND1-CD1 3.07Å; H329-L333 WeakPolarHBondContact O-CB 3.25Å; H329-L333 WeakPolarHBondContact O-CD1 3.44Å; H329-L333 VanDerWaalsContact O-CG 3.32Å; H329-L333 WeakPolarHBondContact O-CG 3.2Å; H329-L333 PolarHBondContact O-N 3.46Å; Q330-L333 PolarHBondContact O-N 3.29Å; R331-L333 VanDerWaalsContact C-N 3.31Å; R331-L333 PolarHBondContact O-N 2.83Å; L333-N335 PolarHBondContact O-N 3.12Å
334H42.6Very low47.5Very low169 Ų169114.1 Ų114.178%0.78262%0.618SS**THydrogen-bonded Turntrans-84.811.9174.6-122.558.3000113.9Q330 R331 P336Q330-H334 PolarHBondContact O-N 2.9Å; Q330-H334 VanDerWaalsContact O-N 3.13Å; R331-H334 PolarHBondContact O-N 3.38Å; H334-P336 WeakPolarHBondContact O-CD 3.33Å
335N34.6Very low46.1Very low141 Ų141117.7 Ų117.775%0.75465%0.646SS**SBendtrans-106.376.4157.6-147.622.3000108.4L333 L337L333-N335 PolarHBondContact O-N 3.12Å; N335-L337 PolarHBondContact O-N 3.11Å
336P31.3Very low44.5Very low95 Ų95123.4 Ų123.462%0.61766%0.663SS**  trans-72116.6178.830.3-30.5000107.6H334H334-P336 WeakPolarHBondContact O-CD 3.33Å
337L30.3Very low43Very low157 Ų157122.3 Ų122.382%0.82267%0.667SS**  trans47.786.9144.7-62.7158.8000115N335 P339N335-L337 PolarHBondContact O-N 3.11Å; L337-P339 WeakPolarHBondContact O-CD 3.38Å
338D32.8Very low41.6Very low129 Ų129127.8 Ų127.869%0.6970%0.697SS**  trans-109.279.7147.8-1684.5000110.3G340D338-G340 PolarHBondContact O-N 2.5Å; D338-G340 WeakPolarHBondContact OD1-CA 3.41Å; D338-G340 PolarHBondContact OD1-N 2.84Å
339P30.7Very low40Very low116 Ų116127.7 Ų127.775%0.75370%0.704SS**  trans-83.468.4164.435.2-30.6000108.4L337L337-P339 WeakPolarHBondContact O-CD 3.38Å
340G30.7Very low38.4Very low50 Ų50129 Ų12952%0.51571%0.714SS.*  trans-140.31.1-164.700000118.7D338D338-G340 PolarHBondContact O-N 2.5Å; D338-G340 WeakPolarHBondContact OD1-CA 3.41Å; D338-G340 PolarHBondContact OD1-N 2.84Å
341L32.3Very low37.1Very low167 Ų167129 Ų12987%0.87472%0.723SS**  trans-14073.9-175.5-80.3160.1000112.7
342A34.2Very low36Very low93 Ų93128.4 Ų128.477%0.76973%0.734SS**  trans-14486.8164.300000111.5
343K37.5Very low35.1Very low205 Ų205131 Ų13189%0.89174%0.744SS**  149.8139.5128.1-82.1176.2-179.6179.70112.7
344P33.2Very low34.3Very low124 Ų124133.1 Ų133.181%0.80576%0.755SS**  trans-95.8136.4178.135.8-28.5000111.7
345S39Very low33.9Very low111 Ų111134.2 Ų134.278%0.77676%0.757SS**  trans-178.9122.6144.554.90000112.1
346R35.4Very low33.9Very low244 Ų244133.9 Ų133.992%0.92176%0.755SS**  trans33.7135.6138.9-66.2-179.8175.7179.6-2.2118
347S35.6Very low34.1Very low89 Ų89137.6 Ų137.662%0.62276%0.764SS**  cis-17316513.446.30000108.9
348D36.5Very low34.3Very low138 Ų138134.3 Ų134.374%0.73875%0.754SS**  trans79.4137.1155.5-49.4-41.7000118.3
349V33.8Very low34.5Very low113 Ų113133.7 Ų133.769%0.68576%0.755SS**  cis-175.6142.4-0.8124.30000105.9
350I35Very low34.9Very low156 Ų156134.8 Ų134.880%0.876%0.755SS**  trans83.3122.5152.7-64.6167.9000121.7
351V31.4Very low35.4Very low127 Ų127138.1 Ų138.177%0.7777%0.765SS**  trans-98-167.5169.2-139.70000107.9
352P37.2Very low35.7Very low106 Ų106134.6 Ų134.669%0.68875%0.754SS**  cis-147.8-179.9-11.435.5-11.3000118.8
353S33.4Very low36.1Very low107 Ų107136.6 Ų136.675%0.74876%0.757SS**  trans84.9134.2134.8-84.20000123.4
354L33.2Very low36.2Very low159 Ų159131.8 Ų131.883%0.83275%0.747SS**  150.8109.9127.3-77.7160.8000109.4
355K34.3Very low36.4Very low192 Ų192132 Ų13284%0.83575%0.746SS**  83.4142.266.1-97.3-161-178.7-172.80117.2
356L34.8Very low36.5Very low134 Ų134131.7 Ų131.770%0.70274%0.741SS**  trans97.7111.8159.5-68.1123.6000117.7
357E33.8Very low36.4Very low173 Ų173126.1 Ų126.181%0.80874%0.735SS**  74.5140.677.8-84.5178.6-167.500112.6
358S35.6Very low36.7Very low88 Ų88128.9 Ų128.962%0.61575%0.748SS**  cis-179.8172.812.549.90000110.8
359T37Very low36.6Very low116 Ų116128.3 Ų128.371%0.71275%0.749SS**  trans76147.9152.7680000120.3
360N39.6Very low36.9Very low139 Ų139130.1 Ų130.174%0.74376%0.755SS**  cis-172.7150.98.6-115.2-7.1000113.1
361V40.3Very low37.2Very low119 Ų119133.6 Ų133.672%0.72176%0.758SS**  86.8116.1129.5176.80000124.5
362S38.4Very low37.2Very low93 Ų93137.1 Ų137.165%0.6576%0.763SS**  trans9.5158.9143.164.70000124.3
363T43.5Very low37.1Very low135 Ų135139.1 Ų139.183%0.82877%0.773SS**  cis-179.1178.745.54.10000111.4
364P40Very low37Very low105 Ų105140.2 Ų140.268%0.68278%0.775SS**  trans-114.8173.4-147.244.8-38.5000120.7
365T36.5Very low37.1Very low128 Ų128144.8 Ų144.879%0.78578%0.782SS**  trans20.4175.5149.563.90000123.4
366P40.5Very low37Very low104 Ų104140.7 Ų140.768%0.67578%0.777SS**  cis-142.5-174.6-1.533.8-8.8000118.6
367T34.8Very low37Very low128 Ų128142.9 Ų142.979%0.78579%0.788SS**  trans73.7122.9146.440.90000124.1
368T40.3Very low36.9Very low147 Ų147144 Ų14490%0.90279%0.791SS**  trans-156.2138.3136.8-32.50000113
369T35.9Very low36.8Very low125 Ų125149.8 Ų149.877%0.76781%0.805SS**  trans-83.7152.3-175-13.50000113.7
370N39.6Very low36.5Very low151 Ų151149.5 Ų149.581%0.80781%0.807SS**  trans-167.6127143.1-105.1-33.9000117.4
371R40.2Very low36.1Very low229 Ų229152 Ų15286%0.86482%0.817SS**  trans67.2105.9139.7-78.4178.5172.3-175.5-2.4125
372K32.9Very low35.8Very low201 Ų201155.1 Ų155.187%0.87482%0.824SS**  trans7.4133.9130.1-71.1178.51741790120.2
373V35.1Very low35.8Very low149 Ų149155.7 Ų155.790%0.90383%0.825SS**  -152.8129.2123.8179.40000110.4
374T31.8Very low35.3Very low129 Ų129156.2 Ų156.279%0.79182%0.823SS**  trans-103.4141.4172.243.20000111.3
375R35.2Very low35Very low256 Ų256157.6 Ų157.697%0.96683%0.825SS**  trans-157.9128.2147.1-115.6176.1-177.2-176.20.3112.1
376S31.8Very low34.7Very low105 Ų105156.6 Ų156.673%0.73482%0.823SS**  trans-90.8144.9-180172.70000110.8
377L34.3Very low34.4Very low180 Ų180158.5 Ų158.594%0.94283%0.832SS**  trans-149.3102.6155.3-92.1166.4000109.4
378K31.3Very low34.2Very low196 Ų196156.9 Ų156.985%0.85283%0.826SS**  trans-86.8133.4158.3-94.3179.1172.3179.90108.1
379K34.3Very low33.9Very low210 Ų210156.4 Ų156.491%0.91383%0.825SS**  trans-147.7115.8151.5-126.3179.2-176.7-174.50110
380S29.6Very low34Very low110 Ų110155.3 Ų155.377%0.76982%0.823SS**  trans-73.1146.817145.60000111.7
381M32Very low33.8Very low193 Ų193156.4 Ų156.495%0.95183%0.828SS**  trans-161.2109.7152.1-101167.99100108.7
382E33.4Very low33.6Very low184 Ų184150.7 Ų150.786%0.8681%0.814SS**  trans-116.1-179.4151-69.1-165.2143.800106.7
383P38.5Very low33.8Very low105 Ų105143.5 Ų143.568%0.68279%0.788SS**  -123.7-179-7636.2-18.2000110.1
384D34.3Very low34.1Very low145 Ų145139.1 Ų139.178%0.77576%0.761SS**  trans-169.2124.7149.7-101.3-14.5000113
385D32.6Very low34.5Very low135 Ų135134.9 Ų134.972%0.72274%0.737SS**  trans61.1122.3130.4-69.4-12.4000126.1
386S30.8Very low34.6Very low106 Ų106124.4 Ų124.474%0.74171%0.705SS**  77.6104.7129.373.60000120.2
387V33.1Very low34.8Very low145 Ų145127.9 Ų127.988%0.87971%0.707SS**  trans-140.8130.4148.7-176.30000110.1
388S31.9Very low34.8Very low93 Ų93129.2 Ų129.265%0.6570%0.699SS**  trans-52.7154.7178.946.70000116.6S390S388-S390 PolarHBondContact O-N 3.25Å
389P32.7Very low34.8Very low137 Ų137123.6 Ų123.689%0.8968%0.678SS**  trans-81.3101.6179.432.5-30.3000111.4
390S37.8Very low34.4Very low103 Ų103122.3 Ų122.372%0.7268%0.676SS**  trans-90.2119.6165.9580000110.2S388 L392S388-S390 PolarHBondContact O-N 3.25Å; S390-L392 PolarHBondContact O-N 3.22Å
391L37Very low34.4Very low174 Ų174127.6 Ų127.691%0.91169%0.694SS**  trans1.1100.9163.6-71.9150.5000115.5
392L35.3Very low34.5Very low109 Ų109124.4 Ų124.457%0.57168%0.681SS**  trans-63.6131.1173.8-75.5164.2000110.6L193 S390 A396L193-L392 HydrophobicContact CD1-CD2 3.64Å; S390-L392 PolarHBondContact O-N 3.22Å; L392-A396 HydrophobicContact CB-CB 4.27Å; L392-A396 HydrophobicContact CD1-CB 4.34Å; L392-A396 HydrophobicContact CD2-CB 4.44Å
393P37.1Very low34.5Very low50 Ų50121.2 Ų121.233%0.32567%0.672SS.*  trans-59.7148.6167-16.929.3000110.7C395 A396P393-C395 PolarHBondContact O-N 2.51Å; P393-A396 PolarHBondContact O-N 2.72Å; P393-A396 VanDerWaalsContact O-N 3.11Å
394T41.9Very low34.3Very low56 Ų56122.1 Ų122.134%0.34467%0.671SS.*G310 helixtrans-58.7-19-166.7-34.90000114.1D243 A396 K397D243-T394 PolarHBondContact OD2-OG1 3.03Å; T394-A396 PolarHBondContact O-N 3.1Å; T394-K397 HydrophobicContact CG2-CD 4.41Å; T394-K397 PolarHBondContact O-N 2.92Å; T394-K397 VanDerWaalsContact O-N 3.14Å
395C39.5Very low34.3Very low40 Ų40120.8 Ų120.827%0.2767%0.665SS.*G310 helixtrans-57.6-15.1170.9-76.30000115.3P393P393-C395 PolarHBondContact O-N 2.51Å
396A37.3Very low34.4Very low37 Ų37119.9 Ų119.931%0.30666%0.662SS.*G310 helixtrans-88.6-5.8178.600000114.6L392 P393 T394 R398L392-A396 HydrophobicContact CB-CB 4.27Å; L392-A396 HydrophobicContact CD1-CB 4.34Å; L392-A396 HydrophobicContact CD2-CB 4.44Å; P393-A396 PolarHBondContact O-N 2.72Å; P393-A396 VanDerWaalsContact O-N 3.11Å; T394-A396 PolarHBondContact O-N 3.1Å; A396-R398 PolarHBondContact O-N 2.86Å
397K35.4Very low34.7Very low177 Ų177120.8 Ų120.877%0.7766%0.656SS**THydrogen-bonded Turntrans-84.73.8-166.6-86.2-176176.5176.70116.8T394T394-K397 HydrophobicContact CG2-CD 4.41Å; T394-K397 PolarHBondContact O-N 2.92Å; T394-K397 VanDerWaalsContact O-N 3.14Å
398R33.9Very low34.8Very low208 Ų208119.1 Ų119.179%0.78564%0.64SS**THydrogen-bonded Turntrans-124.620.5-175-130.7175.3-174.6-171.2-1.5117.6A396 Q400A396-R398 PolarHBondContact O-N 2.86Å; R398-Q400 VanDerWaalsContact C-N 3.29Å; R398-Q400 PolarHBondContact O-N 3.09Å
399L32.4Very low35Very low78 Ų78121.1 Ų121.141%0.40864%0.64SS.*  trans-91.528.6171.7-85.1156.2000113.8W135 F165 P169W135-L399 HydrophobicContact CZ3-CD2 4.33Å; F165-L399 HydrophobicContact CD2-CD2 4.09Å; F165-L399 HydrophobicContact CE2-CD2 4.05Å; P169-L399 HydrophobicContact CB-CB 4.23Å; P169-L399 HydrophobicContact CB-CD1 3.72Å; P169-L399 HydrophobicContact CB-CG 4.45Å
400Q25.6Very low35.2Very low184 Ų184119.8 Ų119.886%0.8662%0.619SS**  trans-116.282.5168.9-74.2-175.9-15.700108.8R398R398-Q400 VanDerWaalsContact C-N 3.29Å; R398-Q400 PolarHBondContact O-N 3.09Å
401L29.1Very low35Very low221 Ų221121.3 Ų121.3100%1.15761%0.61SS**  trans-176.50142.9-95.4164.8000109.3

Retrieved 401 of 401 residues in 145.4 ms (Link to these results)

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