A0A077ZLN9_TRITR Loading...

Protein nhr isoform

AlphaFold DB , UniProt , Accession A0A077ZLN9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.7Confident91.4Very high183 Ų18369.2 Ų69.290%0.90133%0.331SS*.  0-59.20-166.5172.762.200111.1E4 L5M1-E4 WeakPolarHBondContact O-CB 3.2Å; M1-E4 PolarHBondContact O-N 3.4Å; M1-L5 PolarHBondContact O-N 3.07Å
2V86.1Confident91.8Very high33 Ų3365 Ų6520%0.232%0.317CS..Hα-helixtrans-59.1-50.7179.9178.60000112.7E4 L5 Y6 I101V2-E4 PolarHBondContact O-N 3.02Å; V2-E4 VanDerWaalsContact O-N 3.15Å; V2-L5 WeakPolarHBondContact O-CA 3.47Å; V2-L5 WeakPolarHBondContact O-CB 3.47Å; V2-L5 PolarHBondContact O-N 3.33Å; V2-Y6 HydrophobicContact CG1-CD1 4.17Å; V2-Y6 HydrophobicContact CG1-CD2 4.05Å; V2-Y6 HydrophobicContact CG1-CE1 3.59Å; V2-Y6 HydrophobicContact CG1-CE2 3.47Å; V2-Y6 VanDerWaalsContact CG1-CE2 3.47Å; V2-Y6 HydrophobicContact CG1-CG 4.37Å; V2-Y6 WeakPolarHBondContact CG1-OH 3.37Å; V2-Y6 PolarHBondContact O-N 3.41Å; V2-I101 HydrophobicContact CG1-CG2 4.4Å; V2-I101 HydrophobicContact CG2-CG2 4.39Å
3M87.2Confident92.3Very high135 Ų13560 Ų6067%0.66529%0.292SS*.Hα-helixtrans-58-31.3176.6-66.2-53.7-58.700114.2Y6 H7M3-Y6 HydrophobicContact SD-CD2 4.3Å; M3-H7 PolarHBondContact O-N 2.93Å
4E90.6Very high92.6Very high87 Ų8755.9 Ų55.941%0.40727%0.272SS..Hα-helixtrans-74.9-36.9177.3170.2165.2-168.100111.7M1 V2 Y6 K8 K35M1-E4 WeakPolarHBondContact O-CB 3.2Å; M1-E4 PolarHBondContact O-N 3.4Å; V2-E4 PolarHBondContact O-N 3.02Å; V2-E4 VanDerWaalsContact O-N 3.15Å; E4-Y6 VanDerWaalsContact C-N 3.34Å; E4-K8 VanDerWaalsContact O-CB 3.29Å; E4-K8 WeakPolarHBondContact O-CB 3.47Å; E4-K8 PolarHBondContact O-N 3.17Å; E4-K35 HydrophobicContact CB-CD 4.34Å; E4-K35 HydrophobicContact CG-CD 3.9Å; E4-K35 IonicContact OE1-NZ 2.66Å; E4-K35 IonicContact OE2-NZ 2.72Å; E4-K35 PolarHBondContact OE2-NZ 2.76Å
5L92.5Very high92.8Very high54 Ų5460.7 Ų60.728%0.28329%0.294SS..Hα-helixtrans-61.9-43.9170178.564.4000111M1 V2 K8 T9 P93 I101M1-L5 PolarHBondContact O-N 3.07Å; V2-L5 WeakPolarHBondContact O-CA 3.47Å; V2-L5 WeakPolarHBondContact O-CB 3.47Å; V2-L5 PolarHBondContact O-N 3.33Å; L5-K8 PolarHBondContact O-N 3.19Å; L5-T9 VanDerWaalsContact O-CB 3.31Å; L5-T9 WeakPolarHBondContact O-CB 3.5Å; L5-T9 PolarHBondContact O-N 3.5Å; L5-T9 PolarHBondContact O-OG1 2.97Å; L5-P93 HydrophobicContact CD1-CG 4.18Å; L5-I101 HydrophobicContact CD2-CD1 3.51Å
6Y94.6Very high93Very high51 Ų5157.8 Ų57.820%0.228%0.28CS..Hα-helixtrans-63.7-50-178.7-67.6-7000112V2 M3 E4 K8 T9 E10 Q189 I190V2-Y6 HydrophobicContact CG1-CD1 4.17Å; V2-Y6 HydrophobicContact CG1-CD2 4.05Å; V2-Y6 HydrophobicContact CG1-CE1 3.59Å; V2-Y6 HydrophobicContact CG1-CE2 3.47Å; V2-Y6 VanDerWaalsContact CG1-CE2 3.47Å; V2-Y6 HydrophobicContact CG1-CG 4.37Å; V2-Y6 WeakPolarHBondContact CG1-OH 3.37Å; V2-Y6 PolarHBondContact O-N 3.41Å; M3-Y6 HydrophobicContact SD-CD2 4.3Å; E4-Y6 VanDerWaalsContact C-N 3.34Å; Y6-K8 VanDerWaalsContact C-N 3.32Å; Y6-K8 PolarHBondContact O-N 2.54Å; Y6-T9 WeakPolarHBondContact O-CB 3.41Å; Y6-T9 PolarHBondContact O-N 3.37Å; Y6-T9 VanDerWaalsContact O-N 3.17Å; Y6-E10 PolarHBondContact O-N 3.3Å; Y6-Q189 VanDerWaalsContact CA-O 3.22Å; Y6-Q189 WeakPolarHBondContact CA-O 3.38Å; Y6-Q189 HydrophobicContact CD2-CG 4.39Å; Y6-Q189 HydrophobicContact CG-CG 4.4Å; Y6-I190 HydrophobicContact CD1-CG2 3.8Å; Y6-I190 HydrophobicContact CD2-CG2 4Å; Y6-I190 HydrophobicContact CE1-CB 4.49Å; Y6-I190 HydrophobicContact CE1-CG2 3.57Å; Y6-I190 HydrophobicContact CE2-CG2 3.76Å; Y6-I190 HydrophobicContact CG-CG2 4.03Å
7H95.3Very high93.3Very high43 Ų4354.6 Ų54.620%0.19927%0.265CS..Hα-helixtrans-58.6-43.3175.4-175.884.6000112.4M3 T9 E10 C11 I33M3-H7 PolarHBondContact O-N 2.93Å; H7-T9 VanDerWaalsContact C-N 3.34Å; H7-T9 PolarHBondContact O-N 3Å; H7-E10 PolarHBondContact O-N 3.45Å; H7-C11 PolarHBondContact NE2-SG 2.84Å; H7-C11 PolarHBondContact O-N 2.93Å; H7-C11 PolarHBondContact O-SG 3.22Å; H7-C11 VanDerWaalsContact O-SG 3.38Å; H7-I33 PolarHBondContact NE2-O 3.4Å
8K95.3Very high93.3Very high137 Ų13756.8 Ų56.860%0.59628%0.278SS*.Hα-helixtrans-63.9-41178.1-177.6-179.7175.8-176.50111.8E4 L5 Y6 A12E4-K8 VanDerWaalsContact O-CB 3.29Å; E4-K8 WeakPolarHBondContact O-CB 3.47Å; E4-K8 PolarHBondContact O-N 3.17Å; L5-K8 PolarHBondContact O-N 3.19Å; Y6-K8 VanDerWaalsContact C-N 3.32Å; Y6-K8 PolarHBondContact O-N 2.54Å; K8-A12 WeakPolarHBondContact O-CB 3.41Å; K8-A12 PolarHBondContact O-N 3.28Å
9T96.9Very high93.3Very high6 Ų659.9 Ų59.94%0.03730%0.301CS..Hα-helixtrans-64.1-48.5178.6-60.10000110.2L5 Y6 H7 C11 A12 V13 C191L5-T9 VanDerWaalsContact O-CB 3.31Å; L5-T9 WeakPolarHBondContact O-CB 3.5Å; L5-T9 PolarHBondContact O-N 3.5Å; L5-T9 PolarHBondContact O-OG1 2.97Å; Y6-T9 WeakPolarHBondContact O-CB 3.41Å; Y6-T9 PolarHBondContact O-N 3.37Å; Y6-T9 VanDerWaalsContact O-N 3.17Å; H7-T9 VanDerWaalsContact C-N 3.34Å; H7-T9 PolarHBondContact O-N 3Å; T9-C11 PolarHBondContact O-N 3.34Å; T9-A12 PolarHBondContact O-N 3.45Å; T9-A12 VanDerWaalsContact O-N 3.14Å; T9-V13 HydrophobicContact CG2-CG2 4.47Å; T9-V13 WeakPolarHBondContact O-CG2 3.48Å; T9-V13 PolarHBondContact O-N 3.36Å; T9-C191 HydrophobicContact CG2-CB 4.13Å; T9-C191 WeakPolarHBondContact CG2-O 3.37Å
10E97.6Very high93.4Very high28 Ų2859.6 Ų59.613%0.13130%0.3CS..Hα-helixtrans-59.7-46.2179.2-156.9177179.900112Y6 H7 A12 V13 Y14 I44 W188 Q189Y6-E10 PolarHBondContact O-N 3.3Å; H7-E10 PolarHBondContact O-N 3.45Å; E10-A12 VanDerWaalsContact C-N 3.33Å; E10-A12 PolarHBondContact O-N 2.87Å; E10-V13 PolarHBondContact O-N 3.18Å; E10-Y14 HydrophobicContact CG-CD2 3.93Å; E10-Y14 HydrophobicContact CG-CE2 3.69Å; E10-Y14 WeakPolarHBondContact O-CD2 3.48Å; E10-Y14 PolarHBondContact O-N 3.45Å; E10-I44 HydrophobicContact CB-CD1 3.68Å; E10-I44 HydrophobicContact CG-CD1 3.59Å; E10-W188 HydrophobicContact CG-CB 4.36Å; E10-Q189 HydrophobicContact CB-CB 4.1Å; E10-Q189 HydrophobicContact CG-CB 4.31Å
11C97.2Very high93.5Very high4 Ų460.9 Ų60.93%0.02731%0.312CS..Hα-helixtrans-57.6-46.1174.8-74.10000112.1H7 T9 V13 Y14 E15 A32 P34H7-C11 PolarHBondContact NE2-SG 2.84Å; H7-C11 PolarHBondContact O-N 2.93Å; H7-C11 PolarHBondContact O-SG 3.22Å; H7-C11 VanDerWaalsContact O-SG 3.38Å; T9-C11 PolarHBondContact O-N 3.34Å; C11-V13 VanDerWaalsContact C-N 3.32Å; C11-V13 PolarHBondContact O-N 3.03Å; C11-Y14 PolarHBondContact O-N 2.82Å; C11-E15 WeakPolarHBondContact O-CB 3.16Å; C11-E15 PolarHBondContact O-N 3.15Å; C11-A32 HydrophobicContact CB-CB 4.01Å; C11-P34 HydrophobicContact CB-CB 4.43Å
12A96.5Very high94.7Very high19 Ų1952.5 Ų52.516%0.15727%0.272CS..Hα-helixtrans-64.3-37.5-178.700000112.1K8 T9 E10 L16 K91K8-A12 WeakPolarHBondContact O-CB 3.41Å; K8-A12 PolarHBondContact O-N 3.28Å; T9-A12 PolarHBondContact O-N 3.45Å; T9-A12 VanDerWaalsContact O-N 3.14Å; E10-A12 VanDerWaalsContact C-N 3.33Å; E10-A12 PolarHBondContact O-N 2.87Å; A12-L16 WeakPolarHBondContact O-CB 3.41Å; A12-L16 PolarHBondContact O-N 3.03Å; A12-K91 HydrophobicContact CB-CB 4.45Å
13V97.9Very high95.2Very high0 Ų057 Ų570%029%0.294CS..Hα-helixtrans-68.9-44.5177.5173.70000111.4T9 E10 C11 L16 F17 V92 W188 C191T9-V13 HydrophobicContact CG2-CG2 4.47Å; T9-V13 WeakPolarHBondContact O-CG2 3.48Å; T9-V13 PolarHBondContact O-N 3.36Å; E10-V13 PolarHBondContact O-N 3.18Å; C11-V13 VanDerWaalsContact C-N 3.32Å; C11-V13 PolarHBondContact O-N 3.03Å; V13-L16 WeakPolarHBondContact O-CB 3.43Å; V13-L16 PolarHBondContact O-N 2.87Å; V13-F17 HydrophobicContact CG1-CD2 3.71Å; V13-F17 HydrophobicContact CG1-CE1 4.23Å; V13-F17 HydrophobicContact CG1-CE2 3.36Å; V13-F17 HydrophobicContact CG1-CG 4.29Å; V13-F17 HydrophobicContact CG1-CZ 3.66Å; V13-F17 WeakPolarHBondContact O-CB 3.36Å; V13-F17 WeakPolarHBondContact O-CG 3.34Å; V13-F17 PolarHBondContact O-N 3.06Å; V13-V92 HydrophobicContact CG2-CG1 3.73Å; V13-W188 HydrophobicContact CB-CB 4.18Å; V13-W188 HydrophobicContact CG1-CB 3.79Å; V13-W188 HydrophobicContact CG1-CD2 4.09Å; V13-W188 HydrophobicContact CG1-CE3 4.24Å; V13-W188 HydrophobicContact CG1-CG 3.91Å; V13-C191 HydrophobicContact CG2-CB 3.68Å; V13-C191 VanDerWaalsContact CG2-SG 3.56Å
14Y97.5Very high95.7Very high2 Ų251.2 Ų51.21%0.00827%0.266CS..Hα-helixtrans-65.7-38.6176.8-80.8-59.4000112.7E10 C11 L16 N18 C29 I44 L46 W188E10-Y14 HydrophobicContact CG-CD2 3.93Å; E10-Y14 HydrophobicContact CG-CE2 3.69Å; E10-Y14 WeakPolarHBondContact O-CD2 3.48Å; E10-Y14 PolarHBondContact O-N 3.45Å; C11-Y14 PolarHBondContact O-N 2.82Å; Y14-L16 VanDerWaalsContact C-N 3.34Å; Y14-N18 WeakPolarHBondContact O-CB 3.34Å; Y14-N18 PolarHBondContact O-N 3.37Å; Y14-C29 HydrophobicContact CD1-CB 3.65Å; Y14-C29 HydrophobicContact CE1-CB 4.42Å; Y14-C29 HydrophobicContact CG-CB 3.87Å; Y14-I44 HydrophobicContact CD2-CD1 4.36Å; Y14-I44 HydrophobicContact CD2-CG2 3.97Å; Y14-I44 HydrophobicContact CE2-CG2 4.13Å; Y14-L46 HydrophobicContact CD1-CD2 4.13Å; Y14-L46 HydrophobicContact CD2-CD2 4.25Å; Y14-L46 HydrophobicContact CE1-CD2 3.75Å; Y14-L46 HydrophobicContact CE2-CD1 4.1Å; Y14-L46 HydrophobicContact CE2-CD2 3.88Å; Y14-L46 HydrophobicContact CG-CD2 4.38Å; Y14-L46 VanDerWaalsContact OH-CD1 3.32Å; Y14-L46 WeakPolarHBondContact OH-CD1 3.29Å; Y14-W188 AromaticContact CZ-CD1 3.84Å
15E95.5Very high96Very high129 Ų12948.1 Ų48.160%0.60325%0.254SS*.Hα-helixtrans-62.4-42.9173.5-175.9177.2-168.600111.6C11 N18 T19C11-E15 WeakPolarHBondContact O-CB 3.16Å; C11-E15 PolarHBondContact O-N 3.15Å; E15-N18 PolarHBondContact O-N 3.03Å; E15-T19 PolarHBondContact O-N 3.07Å; E15-T19 VanDerWaalsContact O-N 3.15Å; E15-T19 PolarHBondContact O-OG1 3.49Å
16L96.2Very high96.2Very high13 Ų1347.6 Ų47.67%0.06825%0.251CS..Hα-helixtrans-60.7-52.8176.2175.468.5000111.6A12 V13 Y14 N18 T19 D20 W80 C86 W88 I157A12-L16 WeakPolarHBondContact O-CB 3.41Å; A12-L16 PolarHBondContact O-N 3.03Å; V13-L16 WeakPolarHBondContact O-CB 3.43Å; V13-L16 PolarHBondContact O-N 2.87Å; Y14-L16 VanDerWaalsContact C-N 3.34Å; L16-N18 VanDerWaalsContact C-N 3.28Å; L16-N18 PolarHBondContact O-N 3.17Å; L16-T19 PolarHBondContact O-N 3.48Å; L16-D20 PolarHBondContact O-N 3.06Å; L16-W80 HydrophobicContact CD1-CH2 4.43Å; L16-W80 HydrophobicContact CD2-CH2 3.97Å; L16-W80 HydrophobicContact CG-CH2 4.09Å; L16-C86 HydrophobicContact CD1-CB 4.2Å; L16-W88 HydrophobicContact CD1-CB 4.07Å; L16-W88 HydrophobicContact CD2-CB 3.48Å; L16-W88 VanDerWaalsContact CD2-CB 3.48Å; L16-W88 HydrophobicContact CG-CB 4.36Å; L16-I157 HydrophobicContact CD2-CD1 4.31Å
17F96.9Very high96.2Very high5 Ų545.3 Ų45.32%0.02224%0.243CC..Hα-helixtrans-68.1-25.8-179.1-67.8-11.6000113.2V13 T19 P21 P22 L26 L77 W80 I157 W188V13-F17 HydrophobicContact CG1-CD2 3.71Å; V13-F17 HydrophobicContact CG1-CE1 4.23Å; V13-F17 HydrophobicContact CG1-CE2 3.36Å; V13-F17 HydrophobicContact CG1-CG 4.29Å; V13-F17 HydrophobicContact CG1-CZ 3.66Å; V13-F17 WeakPolarHBondContact O-CB 3.36Å; V13-F17 WeakPolarHBondContact O-CG 3.34Å; V13-F17 PolarHBondContact O-N 3.06Å; F17-T19 VanDerWaalsContact C-N 3.33Å; F17-P21 WeakPolarHBondContact O-CA 3.08Å; F17-P21 VanDerWaalsContact O-CB 3.26Å; F17-P21 WeakPolarHBondContact O-CB 3.47Å; F17-P22 HydrophobicContact CD1-CG 3.83Å; F17-P22 HydrophobicContact CE1-CG 3.88Å; F17-P22 HydrophobicContact CG-CG 4.17Å; F17-P22 HydrophobicContact CZ-CG 4.24Å; F17-L26 HydrophobicContact CB-CD1 3.72Å; F17-L26 HydrophobicContact CD2-CD1 3.6Å; F17-L26 HydrophobicContact CD2-CD2 3.87Å; F17-L26 HydrophobicContact CD2-CG 4.41Å; F17-L26 HydrophobicContact CE2-CD1 4.46Å; F17-L26 HydrophobicContact CE2-CD2 4.15Å; F17-L26 HydrophobicContact CG-CD1 3.91Å; F17-L77 HydrophobicContact CE1-CD1 4.43Å; F17-L77 HydrophobicContact CZ-CD1 4.03Å; F17-W80 HydrophobicContact CD1-CH2 4.22Å; F17-W80 AromaticContact CE1-CH2 3.94Å; F17-W80 HydrophobicContact CE1-CH2 3.94Å; F17-W80 AromaticContact CE1-CZ3 3.93Å; F17-W80 HydrophobicContact CE1-CZ3 3.93Å; F17-I157 HydrophobicContact CE1-CD1 4.03Å; F17-I157 HydrophobicContact CZ-CD1 4.09Å; F17-W188 AromaticContact CE2-CD2 3.98Å; F17-W188 HydrophobicContact CE2-CD2 3.98Å; F17-W188 AromaticContact CE2-CE2 3.85Å; F17-W188 HydrophobicContact CE2-CE3 4.14Å; F17-W188 HydrophobicContact CE2-CH2 4.05Å; F17-W188 AromaticContact CE2-CZ2 3.88Å; F17-W188 HydrophobicContact CE2-CZ2 3.88Å; F17-W188 HydrophobicContact CE2-CZ3 4.17Å; F17-W188 HydrophobicContact CZ-CE3 4.43Å; F17-W188 HydrophobicContact CZ-CH2 4.34Å; F17-W188 HydrophobicContact CZ-CZ3 4.25Å
18N94.5Very high96.2Very high94 Ų9446.3 Ų46.350%0.50325%0.252SS..Hα-helixtrans-72.1-28.8170.6-82.2-10.5000112.6Y14 E15 L16 C29Y14-N18 WeakPolarHBondContact O-CB 3.34Å; Y14-N18 PolarHBondContact O-N 3.37Å; E15-N18 PolarHBondContact O-N 3.03Å; L16-N18 VanDerWaalsContact C-N 3.28Å; L16-N18 PolarHBondContact O-N 3.17Å; N18-C29 PolarHBondContact ND2-O 3.35Å
19T93.7Very high96.3Very high116 Ų11640.1 Ų40.171%0.71223%0.226SC*.Hα-helixtrans-88.7-41.4-176.5-54.10000112.1E15 L16 F17E15-T19 PolarHBondContact O-N 3.07Å; E15-T19 VanDerWaalsContact O-N 3.15Å; E15-T19 PolarHBondContact O-OG1 3.49Å; L16-T19 PolarHBondContact O-N 3.48Å; F17-T19 VanDerWaalsContact C-N 3.33Å
20D94.6Very high96.3Very high52 Ų5247 Ų4728%0.27825%0.252SS..SBendtrans-136.981.8179.5-175.654.7000109L16 W80 T84 C86L16-D20 PolarHBondContact O-N 3.06Å; D20-W80 HydrophobicContact CB-CZ2 4.42Å; D20-W80 WeakPolarHBondContact O-CZ2 3.26Å; D20-W80 PolarHBondContact O-NE1 2.9Å; D20-W80 VanDerWaalsContact OD2-CZ2 3.3Å; D20-W80 WeakPolarHBondContact OD2-CZ2 3.15Å; D20-W80 PolarHBondContact OD2-NE1 3.44Å; D20-T84 WeakPolarHBondContact OD2-CB 3.39Å; D20-T84 PolarHBondContact OD2-OG1 2.96Å; D20-C86 HydrophobicContact CB-CB 3.86Å; D20-C86 WeakPolarHBondContact OD2-CB 3.43Å; D20-C86 PolarHBondContact OD2-SG 3.19Å
21P95.1Very high96.2Very high87 Ų8747.8 Ų47.857%0.56526%0.261SS*.  trans-71.5128.7-170.224.6-32.4000112.4F17F17-P21 WeakPolarHBondContact O-CA 3.08Å; F17-P21 VanDerWaalsContact O-CB 3.26Å; F17-P21 WeakPolarHBondContact O-CB 3.47Å
22P96.7Very high96.1Very high8 Ų849.1 Ų49.15%0.05227%0.272CS..  trans-67.2156.1163.528.1-34.2000111.3F17 I24 L26 L77 W80F17-P22 HydrophobicContact CD1-CG 3.83Å; F17-P22 HydrophobicContact CE1-CG 3.88Å; F17-P22 HydrophobicContact CG-CG 4.17Å; F17-P22 HydrophobicContact CZ-CG 4.24Å; P22-I24 HydrophobicContact CB-CG1 3.97Å; P22-I24 HydrophobicContact CG-CD1 4.08Å; P22-I24 HydrophobicContact CG-CG1 3.63Å; P22-I24 PolarHBondContact O-N 3.38Å; P22-L26 HydrophobicContact CG-CD1 4.37Å; P22-L77 HydrophobicContact CB-CD1 4.01Å; P22-L77 HydrophobicContact CG-CD1 4.03Å; P22-W80 HydrophobicContact CB-CB 3.97Å; P22-W80 HydrophobicContact CB-CD2 3.77Å; P22-W80 HydrophobicContact CB-CE3 4.18Å; P22-W80 HydrophobicContact CB-CG 3.67Å; P22-W80 HydrophobicContact CG-CD2 4.48Å
23D96Very high96Very high126 Ų12649.6 Ų49.667%0.67427%0.272SS*.SBendtrans-77.557.4174.7-173.325.1000112.2A76D23-A76 WeakPolarHBondContact O-CB 3.48Å
24I98Very high95.7Very high15 Ų1552 Ų528%0.07729%0.288CS..SBendtrans-128.4151.2174.658.4158.5000111P22 L26 K73 A76 L77 I185 W188P22-I24 HydrophobicContact CB-CG1 3.97Å; P22-I24 HydrophobicContact CG-CD1 4.08Å; P22-I24 HydrophobicContact CG-CG1 3.63Å; P22-I24 PolarHBondContact O-N 3.38Å; I24-L26 HydrophobicContact CD1-CD2 3.85Å; I24-L26 HydrophobicContact CD1-CG 4.26Å; I24-L26 HydrophobicContact CG1-CD1 4.42Å; I24-L26 HydrophobicContact CG1-CD2 4.29Å; I24-L26 HydrophobicContact CG1-CG 4.13Å; I24-L26 PolarHBondContact O-N 3.42Å; I24-K73 HydrophobicContact CG2-CB 4.04Å; I24-K73 WeakPolarHBondContact CG2-O 3.3Å; I24-A76 HydrophobicContact CG2-CB 4.14Å; I24-L77 HydrophobicContact CD1-CD1 3.92Å; I24-L77 HydrophobicContact CD1-CD2 4.46Å; I24-L77 HydrophobicContact CG2-CB 4.02Å; I24-I185 HydrophobicContact CD1-CD1 4.27Å; I24-W188 HydrophobicContact CD1-CH2 3.9Å; I24-W188 HydrophobicContact CD1-CZ2 3.81Å
25P97.2Very high95.2Very high22 Ų2257.3 Ų57.314%0.14331%0.311CS..  trans-68.6122175.727.7-34.3000110.8K73 L182 I183 A184 I185P25-K73 HydrophobicContact CG-CG 4.24Å; P25-L182 HydrophobicContact CG-CB 4.19Å; P25-L182 HydrophobicContact CG-CD2 3.87Å; P25-L182 HydrophobicContact CG-CG 3.8Å; P25-I183 VanDerWaalsContact CB-C 3.48Å; P25-I183 WeakPolarHBondContact CB-O 3.2Å; P25-A184 WeakPolarHBondContact O-CA 3.35Å; P25-I185 PolarHBondContact O-N 3.41Å
26L96.7Very high94.6Very high42 Ų4254.9 Ų54.922%0.2232%0.32CS..BIsolated β-bridgetrans-126.1147.3178.1-66169.5000109.9F17 P22 I24 W188F17-L26 HydrophobicContact CB-CD1 3.72Å; F17-L26 HydrophobicContact CD2-CD1 3.6Å; F17-L26 HydrophobicContact CD2-CD2 3.87Å; F17-L26 HydrophobicContact CD2-CG 4.41Å; F17-L26 HydrophobicContact CE2-CD1 4.46Å; F17-L26 HydrophobicContact CE2-CD2 4.15Å; F17-L26 HydrophobicContact CG-CD1 3.91Å; P22-L26 HydrophobicContact CG-CD1 4.37Å; I24-L26 HydrophobicContact CD1-CD2 3.85Å; I24-L26 HydrophobicContact CD1-CG 4.26Å; I24-L26 HydrophobicContact CG1-CD1 4.42Å; I24-L26 HydrophobicContact CG1-CD2 4.29Å; I24-L26 HydrophobicContact CG1-CG 4.13Å; I24-L26 PolarHBondContact O-N 3.42Å; L26-W188 HydrophobicContact CD2-CZ2 3.92Å
27A94.9Very high94Very high4 Ų455.8 Ų55.83%0.03333%0.329CS..  trans-70.3136.7163.200000108.9C29 Q47 M49 A184 I186A27-C29 PolarHBondContact O-N 2.99Å; A27-Q47 HydrophobicContact CB-CB 4.45Å; A27-M49 HydrophobicContact CB-CG 4.44Å; A27-A184 HydrophobicContact CB-CB 4.29Å; A27-I186 HydrophobicContact CB-CG2 4.19Å
28T95.4Very high93.1Very high64 Ų6459.5 Ų59.539%0.39336%0.361SS..  trans-60.8124.2177.2-53.40000109.6Y30 L46 Q47T28-Y30 HydrophobicContact CG2-CD1 4.07Å; T28-Y30 HydrophobicContact CG2-CE1 3.75Å; T28-L46 CarbonylContact O-C 3.46Å; T28-L46 WeakPolarHBondContact O-CA 3.48Å; T28-Q47 PolarHBondContact O-N 3.22Å; T28-Q47 PolarHBondContact OG1-OE1 2.84Å
29C97.1Very high92.4Very high7 Ų763.6 Ų63.65%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-92.5112.1171.6-176.60000109.8Y14 N18 A27 S31 L46Y14-C29 HydrophobicContact CD1-CB 3.65Å; Y14-C29 HydrophobicContact CE1-CB 4.42Å; Y14-C29 HydrophobicContact CG-CB 3.87Å; N18-C29 PolarHBondContact ND2-O 3.35Å; A27-C29 PolarHBondContact O-N 2.99Å; C29-S31 PolarHBondContact SG-O 3.48Å; C29-L46 HydrophobicContact CB-CD2 3.7Å
30Y96.7Very high92.1Very high150 Ų15064.5 Ų64.559%0.58838%0.377SS*.EExtended strand (participates in β ladder)trans-82.9-27.3179.1-58.8-67.2000112.9T28 V45 Q47T28-Y30 HydrophobicContact CG2-CD1 4.07Å; T28-Y30 HydrophobicContact CG2-CE1 3.75Å; Y30-V45 HydrophobicContact CD2-CG1 4.19Å; Y30-V45 PolarHBondContact N-O 2.78Å; Y30-Q47 HydrophobicContact CE2-CB 4.11Å
31S95.3Very high91.9Very high44 Ų4468.3 Ų68.331%0.30840%0.397SS..EExtended strand (participates in β ladder)trans-161.7138.4-179.7-174.50000110.6C29 I44 V45C29-S31 PolarHBondContact SG-O 3.48Å; S31-I44 CarbonylContact O-C 3.55Å; S31-I44 WeakPolarHBondContact O-CA 3.35Å; S31-V45 PolarHBondContact N-O 2.76Å; S31-V45 PolarHBondContact O-N 2.8Å
32A95.6Very high91.8Very high33 Ų3366.6 Ų66.627%0.27339%0.386SS..EExtended strand (participates in β ladder)trans-134.8111.2171.900000108.6C11C11-A32 HydrophobicContact CB-CB 4.01Å
33I94.3Very high91.8Very high28 Ų2870.3 Ų70.314%0.14440%0.403CS..EExtended strand (participates in β ladder)trans-111.2108-177.7-57.8174.4000107.7H7 A37 K40 L41 P42 M43H7-I33 PolarHBondContact NE2-O 3.4Å; I33-A37 HydrophobicContact CG2-CB 4.16Å; I33-K40 HydrophobicContact CD1-CB 4.37Å; I33-K40 HydrophobicContact CD1-CD 4.21Å; I33-K40 HydrophobicContact CG2-CB 3.83Å; I33-L41 WeakPolarHBondContact CG2-O 3.45Å; I33-P42 WeakPolarHBondContact O-CA 3.37Å; I33-M43 PolarHBondContact N-O 2.81Å; I33-M43 PolarHBondContact O-N 3.2Å
34P92.1Very high91.8Very high52 Ų5266 Ų6634%0.33838%0.38SS..  trans-70.9158.717829.8-33.1000110.9C11 G36 A37C11-P34 HydrophobicContact CB-CB 4.43Å; P34-G36 PolarHBondContact O-N 3.29Å; P34-A37 HydrophobicContact CG-CB 4.1Å; P34-A37 WeakPolarHBondContact O-CB 3.45Å; P34-A37 PolarHBondContact O-N 2.98Å
35K86.3Confident91.7Very high113 Ų11368 Ų6849%0.49139%0.392SS..THydrogen-bonded Turntrans-64.2132.4175.1-171.6176.9170.1-162.80110.6E4 P42E4-K35 HydrophobicContact CB-CD 4.34Å; E4-K35 HydrophobicContact CG-CD 3.9Å; E4-K35 IonicContact OE1-NZ 2.66Å; E4-K35 IonicContact OE2-NZ 2.72Å; E4-K35 PolarHBondContact OE2-NZ 2.76Å; K35-P42 HydrophobicContact CB-CB 4.19Å; K35-P42 HydrophobicContact CB-CG 3.99Å; K35-P42 HydrophobicContact CG-CG 3.97Å
36G84.1Confident91.7Very high77 Ų7769.6 Ų69.679%0.79440%0.4SS*.THydrogen-bonded Turntrans90.13.3-178.500000115.2P34 A38P34-G36 PolarHBondContact O-N 3.29Å; G36-A38 PolarHBondContact O-N 3.11Å
37A82.9Confident91.7Very high32 Ų3270.7 Ų70.726%0.26440%0.404SS..SBendtrans-79.7111.4175.600000112.4I33 P34 D39 K40I33-A37 HydrophobicContact CG2-CB 4.16Å; P34-A37 HydrophobicContact CG-CB 4.1Å; P34-A37 WeakPolarHBondContact O-CB 3.45Å; P34-A37 PolarHBondContact O-N 2.98Å; A37-D39 VanDerWaalsContact C-N 3.32Å; A37-D39 PolarHBondContact O-N 2.79Å; A37-K40 WeakPolarHBondContact O-CB 3.41Å; A37-K40 PolarHBondContact O-N 2.74Å
38A77.4Confident91.8Very high84 Ų8475.8 Ų75.869%0.69443%0.43SS*.THydrogen-bonded Turntrans4644.9159.300000115.8G36 K40G36-A38 PolarHBondContact O-N 3.11Å; A38-K40 PolarHBondContact O-N 2.78Å
39D81.4Confident91.7Very high180 Ų18073.8 Ų73.896%0.96342%0.417SS*.THydrogen-bonded Turntrans56.417.8-178.8-55.9-42.5000115.2A37A37-D39 VanDerWaalsContact C-N 3.32Å; A37-D39 PolarHBondContact O-N 2.79Å
40K86.6Confident91.5Very high135 Ų13579 Ų7959%0.58744%0.44SS*.PPolyproline II helixtrans-87.7149.8175.7-64.1-176.2-178.8179.50110.9I33 A37 A38I33-K40 HydrophobicContact CD1-CB 4.37Å; I33-K40 HydrophobicContact CD1-CD 4.21Å; I33-K40 HydrophobicContact CG2-CB 3.83Å; A37-K40 WeakPolarHBondContact O-CB 3.41Å; A37-K40 PolarHBondContact O-N 2.74Å; A38-K40 PolarHBondContact O-N 2.78Å
41L90.4Very high91.2Very high132 Ų13277.8 Ų77.869%0.69144%0.44SS*.PPolyproline II helixtrans-64.3129.7171.4-172.971.1000109.6I33 M43I33-L41 WeakPolarHBondContact CG2-O 3.45Å; L41-M43 PolarHBondContact O-N 3.42Å
42P93.2Very high90.9Very high50 Ų5082.7 Ų82.733%0.32545%0.453SS..PPolyproline II helixtrans-64.6123.1173.9-14.228.5000109.5I33 K35I33-P42 WeakPolarHBondContact O-CA 3.37Å; K35-P42 HydrophobicContact CB-CB 4.19Å; K35-P42 HydrophobicContact CB-CG 3.99Å; K35-P42 HydrophobicContact CG-CG 3.97Å
43M95.4Very high90.9Very high86 Ų8681.5 Ų81.542%0.42444%0.444SS..EExtended strand (participates in β ladder)trans-160.1149.3-173.2-177.8170.662.500111.1I33 L41 V45I33-M43 PolarHBondContact N-O 2.81Å; I33-M43 PolarHBondContact O-N 3.2Å; L41-M43 PolarHBondContact O-N 3.42Å; M43-V45 HydrophobicContact CE-CG2 3.68Å; M43-V45 HydrophobicContact CG-CG2 4.09Å; M43-V45 HydrophobicContact SD-CG2 4.06Å
44I96.1Very high91Very high37 Ų3784.5 Ų84.519%0.1946%0.456CS..EExtended strand (participates in β ladder)trans-120.4133.5167.8-58.1174.5000107.6E10 Y14 S31 L46E10-I44 HydrophobicContact CB-CD1 3.68Å; E10-I44 HydrophobicContact CG-CD1 3.59Å; Y14-I44 HydrophobicContact CD2-CD1 4.36Å; Y14-I44 HydrophobicContact CD2-CG2 3.97Å; Y14-I44 HydrophobicContact CE2-CG2 4.13Å; S31-I44 CarbonylContact O-C 3.55Å; S31-I44 WeakPolarHBondContact O-CA 3.35Å; I44-L46 HydrophobicContact CG2-CD1 4.46Å; I44-L46 HydrophobicContact CG2-CD2 3.68Å; I44-L46 HydrophobicContact CG2-CG 3.86Å
45V97.1Very high91.2Very high55 Ų5586.4 Ų86.433%0.33346%0.46SS..EExtended strand (participates in β ladder)trans-117.6110.9179.1-172.80000108.2Y30 S31 M43Y30-V45 HydrophobicContact CD2-CG1 4.19Å; Y30-V45 PolarHBondContact N-O 2.78Å; S31-V45 PolarHBondContact N-O 2.76Å; S31-V45 PolarHBondContact O-N 2.8Å; M43-V45 HydrophobicContact CE-CG2 3.68Å; M43-V45 HydrophobicContact CG-CG2 4.09Å; M43-V45 HydrophobicContact SD-CG2 4.06Å
46L97.2Very high91.7Very high57 Ų5781.9 Ų81.930%0.29844%0.441SS..EExtended strand (participates in β ladder)trans-111.2158.7-177.7-58.7179.8000111.6Y14 T28 C29 I44 D48Y14-L46 HydrophobicContact CD1-CD2 4.13Å; Y14-L46 HydrophobicContact CD2-CD2 4.25Å; Y14-L46 HydrophobicContact CE1-CD2 3.75Å; Y14-L46 HydrophobicContact CE2-CD1 4.1Å; Y14-L46 HydrophobicContact CE2-CD2 3.88Å; Y14-L46 HydrophobicContact CG-CD2 4.38Å; Y14-L46 VanDerWaalsContact OH-CD1 3.32Å; Y14-L46 WeakPolarHBondContact OH-CD1 3.29Å; T28-L46 CarbonylContact O-C 3.46Å; T28-L46 WeakPolarHBondContact O-CA 3.48Å; C29-L46 HydrophobicContact CB-CD2 3.7Å; I44-L46 HydrophobicContact CG2-CD1 4.46Å; I44-L46 HydrophobicContact CG2-CD2 3.68Å; I44-L46 HydrophobicContact CG2-CG 3.86Å; L46-D48 PolarHBondContact O-N 3.09Å
47Q96.4Very high92.1Very high65 Ų6580.9 Ų80.930%0.30442%0.42SS..  trans-57.3128.6166.7-175.11777.200111.1A27 T28 Y30 M49A27-Q47 HydrophobicContact CB-CB 4.45Å; T28-Q47 PolarHBondContact O-N 3.22Å; T28-Q47 PolarHBondContact OG1-OE1 2.84Å; Y30-Q47 HydrophobicContact CE2-CB 4.11Å; Q47-M49 HydrophobicContact CB-SD 4.29Å; Q47-M49 HydrophobicContact CG-SD 3.74Å; Q47-M49 PolarHBondContact O-N 3.04Å
48D96Very high92.6Very high110 Ų11081.4 Ų81.459%0.58842%0.418SS*.  trans-74.7122.5169.6-173.7-6.2000109.7L46 H50L46-D48 PolarHBondContact O-N 3.09Å; D48-H50 WeakPolarHBondContact OD1-CB 3.38Å; D48-H50 IonicContact OD1-CG 2.73Å; D48-H50 PolarHBondContact OD1-N 3.18Å; D48-H50 IonicContact OD1-ND1 3.48Å; D48-H50 PolarHBondContact OD1-ND1 3.3Å; D48-H50 IonicContact OD2-CE1 3.43Å; D48-H50 PolarHBondContact OD2-CE1 3.42Å; D48-H50 IonicContact OD2-CG 3.51Å; D48-H50 IonicContact OD2-ND1 2.92Å; D48-H50 PolarHBondContact OD2-ND1 2.73Å
49M94.6Very high93.4Very high23 Ų2382.7 Ų82.711%0.11341%0.408CS..  trans-103.63.3-176.1-58.8-61.6-73.600112.6A27 Q47 E51 Y52 G53 I168 I183 A184A27-M49 HydrophobicContact CB-CG 4.44Å; Q47-M49 HydrophobicContact CB-SD 4.29Å; Q47-M49 HydrophobicContact CG-SD 3.74Å; Q47-M49 PolarHBondContact O-N 3.04Å; M49-E51 VanDerWaalsContact C-N 3.3Å; M49-E51 PolarHBondContact O-N 3.02Å; M49-Y52 PolarHBondContact O-N 3.31Å; M49-G53 VanDerWaalsContact O-CA 3.25Å; M49-G53 WeakPolarHBondContact O-CA 3.24Å; M49-G53 PolarHBondContact O-N 3.3Å; M49-I168 HydrophobicContact CB-CD1 3.97Å; M49-I168 HydrophobicContact CB-CG2 4.28Å; M49-I168 HydrophobicContact CG-CD1 4.14Å; M49-I183 HydrophobicContact CE-CB 4.28Å; M49-I183 HydrophobicContact CE-CD1 3.61Å; M49-I183 HydrophobicContact CE-CG1 3.87Å; M49-A184 HydrophobicContact CE-CB 4.32Å
50H92.3Very high94Very high115 Ų11580.3 Ų80.353%0.53239%0.389SS..THydrogen-bonded Turntrans-63.3-31.1-168.481-87.8000114.5D48D48-H50 WeakPolarHBondContact OD1-CB 3.38Å; D48-H50 IonicContact OD1-CG 2.73Å; D48-H50 PolarHBondContact OD1-N 3.18Å; D48-H50 IonicContact OD1-ND1 3.48Å; D48-H50 PolarHBondContact OD1-ND1 3.3Å; D48-H50 IonicContact OD2-CE1 3.43Å; D48-H50 PolarHBondContact OD2-CE1 3.42Å; D48-H50 IonicContact OD2-CG 3.51Å; D48-H50 IonicContact OD2-ND1 2.92Å; D48-H50 PolarHBondContact OD2-ND1 2.73Å
51E90.8Very high94.4Very high125 Ų12573.9 Ų73.958%0.58436%0.361SS*.THydrogen-bonded Turntrans-69-34.6-178.7-66.6-172.1157.700112M49M49-E51 VanDerWaalsContact C-N 3.3Å; M49-E51 PolarHBondContact O-N 3.02Å
52Y88.5Confident94.7Very high147 Ų14767.6 Ų67.658%0.57633%0.328SS*.THydrogen-bonded Turntrans-113.5-16.1-171.4-47.9-73.8000112.9M49 S170 T171M49-Y52 PolarHBondContact O-N 3.31Å; Y52-S170 CarbonylContact O-C 3.47Å; Y52-S170 WeakPolarHBondContact O-CA 3.25Å; Y52-T171 PolarHBondContact O-N 3.28Å; Y52-T171 PolarHBondContact O-OG1 3.5Å
53G96.3Very high94.9Very high8 Ų867.5 Ų67.58%0.08233%0.327CS..EExtended strand (participates in β ladder)trans-112.5145.9-169.300000114.4M49 F169M49-G53 VanDerWaalsContact O-CA 3.25Å; M49-G53 WeakPolarHBondContact O-CA 3.24Å; M49-G53 PolarHBondContact O-N 3.3Å; G53-F169 CarbonylContact C-O 3.6Å; G53-F169 VanDerWaalsContact CA-O 3.27Å; G53-F169 WeakPolarHBondContact CA-O 3.13Å
54K96.4Very high95Very high91 Ų9164.7 Ų64.740%0.39631%0.314SS..EExtended strand (participates in β ladder)trans-137.8137.8171.4-65.8-65.1179.8-160.90110.1F169 T171 A178K54-F169 PolarHBondContact N-O 3.25Å; K54-F169 PolarHBondContact O-N 2.8Å; K54-T171 HydrophobicContact CG-CG2 4.35Å; K54-T171 WeakPolarHBondContact CG-OG1 3.2Å; K54-A178 HydrophobicContact CB-CB 3.89Å
55H96Very high95.1Very high92 Ų9267.5 Ų67.543%0.42633%0.33SS..PPolyproline II helixtrans-75147.2161.6-63-72.8000110.3N165 L167 I168H55-N165 PolarHBondContact CE1-O 2.89Å; H55-N165 PolarHBondContact ND1-O 3.3Å; H55-L167 PolarHBondContact ND1-O 2.99Å; H55-I168 VanDerWaalsContact CE1-CG1 3.48Å; H55-I168 WeakPolarHBondContact CE1-CG1 3.23Å
56Q95.9Very high95.2Very high19 Ų1964.9 Ų64.99%0.08931%0.314CS..PPolyproline II helixtrans-68.4132168.8179.665.79.400109.5I58 G61 L62 Q66 F169Q56-I58 PolarHBondContact O-N 3.27Å; Q56-I58 VanDerWaalsContact O-N 3.08Å; Q56-G61 VanDerWaalsContact CG-O 3.25Å; Q56-G61 WeakPolarHBondContact CG-O 3.38Å; Q56-G61 PolarHBondContact NE2-O 2.92Å; Q56-L62 HydrophobicContact CB-CD2 3.91Å; Q56-L62 HydrophobicContact CG-CD2 4.2Å; Q56-Q66 VanDerWaalsContact OE1-NE2 3.17Å; Q56-F169 HydrophobicContact CB-CE2 4.42Å
57P94.2Very high95.2Very high56 Ų5662.2 Ų62.236%0.36430%0.3SS..PPolyproline II helixtrans-56.3119.5177.7-27.635.3000112K59 K60 G61P57-K59 PolarHBondContact O-N 3.04Å; P57-K59 VanDerWaalsContact O-N 3.11Å; P57-K60 HydrophobicContact CB-CB 4.44Å; P57-K60 HydrophobicContact CB-CD 4.31Å; P57-K60 HydrophobicContact CB-CG 4.3Å; P57-K60 HydrophobicContact CG-CD 4.36Å; P57-K60 WeakPolarHBondContact O-CA 3.44Å; P57-K60 WeakPolarHBondContact O-CB 3.49Å; P57-K60 PolarHBondContact O-N 2.84Å; P57-G61 PolarHBondContact O-N 2.82Å
58I93.3Very high95.3Very high43 Ų4362.6 Ų62.622%0.22130%0.299CS..THydrogen-bonded Turntrans-55.4-36.9-172.6-161.9174.1000112.5Q56 K60 G61 M270 V276 L280 R283Q56-I58 PolarHBondContact O-N 3.27Å; Q56-I58 VanDerWaalsContact O-N 3.08Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 3.39Å; I58-G61 PolarHBondContact O-N 3.17Å; I58-M270 HydrophobicContact CD1-CE 3.81Å; I58-M270 HydrophobicContact CD1-SD 3.93Å; I58-V276 HydrophobicContact CG2-CG1 3.65Å; I58-L280 HydrophobicContact CD1-CD1 3.77Å; I58-L280 HydrophobicContact CD1-CD2 4.38Å; I58-L280 HydrophobicContact CG1-CD1 4.08Å; I58-L280 HydrophobicContact CG1-CD2 3.92Å; I58-L280 HydrophobicContact CG2-CD1 4.42Å; I58-R283 PolarHBondContact O-NH1 3.41Å; I58-R283 PolarHBondContact O-NH2 3.13Å
59K93.7Very high95.5Very high110 Ų11059.2 Ų59.248%0.47828%0.28SS..THydrogen-bonded Turntrans-63.6-29.6175.3-171.7176.7-180176.20114P57 G275 V276 A279 R283P57-K59 PolarHBondContact O-N 3.04Å; P57-K59 VanDerWaalsContact O-N 3.11Å; K59-G275 VanDerWaalsContact CE-O 3.28Å; K59-G275 WeakPolarHBondContact CE-O 3.37Å; K59-V276 HydrophobicContact CB-CG1 4.26Å; K59-V276 HydrophobicContact CB-CG2 4.08Å; K59-V276 HydrophobicContact CD-CG2 3.93Å; K59-V276 HydrophobicContact CG-CG2 4.39Å; K59-A279 HydrophobicContact CG-CB 4.23Å; K59-R283 PolarHBondContact O-NH2 3.35Å
60K92.9Very high95.6Very high130 Ų13058.1 Ų58.157%0.56528%0.275SS*.THydrogen-bonded Turntrans-84-32.6174.9-66.8-176.8179.3176.60111.6P57 I58P57-K60 HydrophobicContact CB-CB 4.44Å; P57-K60 HydrophobicContact CB-CD 4.31Å; P57-K60 HydrophobicContact CB-CG 4.3Å; P57-K60 HydrophobicContact CG-CD 4.36Å; P57-K60 WeakPolarHBondContact O-CA 3.44Å; P57-K60 WeakPolarHBondContact O-CB 3.49Å; P57-K60 PolarHBondContact O-N 2.84Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 3.39Å
61G95.1Very high95.9Very high0 Ų052.7 Ų52.70%025%0.249CC..  trans67.5173.6-170.600000112.2Q56 P57 I58 S207Q56-G61 VanDerWaalsContact CG-O 3.25Å; Q56-G61 WeakPolarHBondContact CG-O 3.38Å; Q56-G61 PolarHBondContact NE2-O 2.92Å; P57-G61 PolarHBondContact O-N 2.82Å; I58-G61 PolarHBondContact O-N 3.17Å; G61-S207 CarbonylContact C-O 3.3Å; G61-S207 WeakPolarHBondContact CA-O 3.27Å
62L97.8Very high96.3Very high0 Ų048.1 Ų48.10%023%0.229CC..  trans-62.5142.2-178-64.3171.9000112Q56 Q66 L67 L167 F169 L203 S207 K212Q56-L62 HydrophobicContact CB-CD2 3.91Å; Q56-L62 HydrophobicContact CG-CD2 4.2Å; L62-Q66 HydrophobicContact CB-CB 4.46Å; L62-Q66 HydrophobicContact CD2-CB 4.27Å; L62-L67 HydrophobicContact CB-CD2 3.97Å; L62-L67 HydrophobicContact CB-CG 4.14Å; L62-L67 HydrophobicContact CD1-CD2 3.84Å; L62-L167 HydrophobicContact CD1-CD1 4Å; L62-L167 HydrophobicContact CD2-CD1 4.37Å; L62-F169 HydrophobicContact CD2-CE2 3.69Å; L62-F169 HydrophobicContact CD2-CZ 3.76Å; L62-L203 HydrophobicContact CD1-CD1 3.29Å; L62-L203 HydrophobicContact CD1-CG 3.93Å; L62-S207 PolarHBondContact N-O 3.1Å; L62-K212 WeakPolarHBondContact O-CD 3.46Å; L62-K212 PolarHBondContact O-NZ 2.84Å
63T97.3Very high96.8Very high49 Ų4943.4 Ų43.430%0.30121%0.211SC..  trans-76.8162170.969.90000110.4N65 Q66 L67T63-N65 VanDerWaalsContact C-N 3.28Å; T63-N65 PolarHBondContact O-N 3.09Å; T63-Q66 PolarHBondContact O-N 2.99Å; T63-Q66 VanDerWaalsContact OG1-CG 3.24Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.48Å; T63-Q66 PolarHBondContact OG1-N 3.22Å; T63-Q66 PolarHBondContact OG1-OE1 3.38Å; T63-L67 WeakPolarHBondContact O-CG 3.43Å; T63-L67 PolarHBondContact O-N 3.28Å
64V97.9Very high96.9Very high26 Ų2643.1 Ų43.116%0.15821%0.208CC..Hα-helixtrans-62.3-38.7179177.60000111.2L67 Y68 Y216V64-L67 WeakPolarHBondContact O-CB 3.41Å; V64-L67 PolarHBondContact O-N 3.43Å; V64-Y68 HydrophobicContact CG1-CD2 3.82Å; V64-Y68 HydrophobicContact CG1-CE2 3.51Å; V64-Y68 VanDerWaalsContact O-CD2 3.25Å; V64-Y68 WeakPolarHBondContact O-CD2 3.47Å; V64-Y68 PolarHBondContact O-N 3.08Å; V64-Y68 VanDerWaalsContact O-N 3.09Å; V64-Y216 HydrophobicContact CG1-CD1 3.82Å; V64-Y216 HydrophobicContact CG1-CE1 3.83Å; V64-Y216 HydrophobicContact CG1-CG 4.2Å; V64-Y216 HydrophobicContact CG2-CD1 4.49Å; V64-Y216 HydrophobicContact CG2-CD2 3.78Å; V64-Y216 HydrophobicContact CG2-CE1 4.39Å; V64-Y216 HydrophobicContact CG2-CE2 3.65Å; V64-Y216 HydrophobicContact CG2-CG 4.22Å
65N98.1Very high97Very high96 Ų9638.8 Ų38.851%0.51319%0.189SC..Hα-helixtrans-66.4-39.8177.9-66.3-13.6000112.1T63 L67 Y68 E69 R180T63-N65 VanDerWaalsContact C-N 3.28Å; T63-N65 PolarHBondContact O-N 3.09Å; N65-L67 VanDerWaalsContact C-N 3.29Å; N65-L67 PolarHBondContact O-N 2.85Å; N65-Y68 PolarHBondContact O-N 3.14Å; N65-E69 PolarHBondContact O-N 2.98Å; N65-R180 HydrophobicContact CB-CB 3.84Å
66Q98.2Very high97.1Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-62.7-37173.5-72.2167.5-3100111.6Q56 L62 T63 E69 V70 F169 S179Q56-Q66 VanDerWaalsContact OE1-NE2 3.17Å; L62-Q66 HydrophobicContact CB-CB 4.46Å; L62-Q66 HydrophobicContact CD2-CB 4.27Å; T63-Q66 PolarHBondContact O-N 2.99Å; T63-Q66 VanDerWaalsContact OG1-CG 3.24Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.48Å; T63-Q66 PolarHBondContact OG1-N 3.22Å; T63-Q66 PolarHBondContact OG1-OE1 3.38Å; Q66-E69 PolarHBondContact O-N 3.16Å; Q66-V70 VanDerWaalsContact O-CG2 3.24Å; Q66-V70 WeakPolarHBondContact O-CG2 3.46Å; Q66-V70 PolarHBondContact O-N 2.93Å; Q66-F169 HydrophobicContact CB-CE1 3.73Å; Q66-F169 HydrophobicContact CB-CZ 3.82Å; Q66-F169 HydrophobicContact CG-CD1 3.85Å; Q66-F169 HydrophobicContact CG-CE1 3.51Å; Q66-F169 HydrophobicContact CG-CE2 4.4Å; Q66-F169 HydrophobicContact CG-CG 4.44Å; Q66-F169 HydrophobicContact CG-CZ 3.82Å; Q66-S179 PolarHBondContact NE2-O 2.89Å
67L98.4Very high97.3Very high2 Ų234.1 Ų34.11%0.0117%0.17CC..Hα-helixtrans-66-39.1176.5-67.8171.7000112.6L62 T63 V64 N65 A71 L203 V208 I220L62-L67 HydrophobicContact CB-CD2 3.97Å; L62-L67 HydrophobicContact CB-CG 4.14Å; L62-L67 HydrophobicContact CD1-CD2 3.84Å; T63-L67 WeakPolarHBondContact O-CG 3.43Å; T63-L67 PolarHBondContact O-N 3.28Å; V64-L67 WeakPolarHBondContact O-CB 3.41Å; V64-L67 PolarHBondContact O-N 3.43Å; N65-L67 VanDerWaalsContact C-N 3.29Å; N65-L67 PolarHBondContact O-N 2.85Å; L67-A71 WeakPolarHBondContact O-CB 3.32Å; L67-A71 PolarHBondContact O-N 3.45Å; L67-L203 HydrophobicContact CD2-CD2 3.61Å; L67-L203 HydrophobicContact CD2-CG 3.93Å; L67-V208 HydrophobicContact CD1-CG1 4.01Å; L67-V208 HydrophobicContact CD1-CG2 3.91Å; L67-V208 HydrophobicContact CD2-CG2 3.52Å; L67-V208 HydrophobicContact CG-CG2 4.28Å; L67-I220 HydrophobicContact CB-CD1 3.52Å; L67-I220 HydrophobicContact CB-CG1 3.98Å
68Y98.6Very high97.5Very high72 Ų7231.5 Ų31.528%0.28215%0.152SC..Hα-helixtrans-66.4-41.6174.6-78.8-63.6000111.7V64 N65 A71 D72 P219 I220 R223V64-Y68 HydrophobicContact CG1-CD2 3.82Å; V64-Y68 HydrophobicContact CG1-CE2 3.51Å; V64-Y68 VanDerWaalsContact O-CD2 3.25Å; V64-Y68 WeakPolarHBondContact O-CD2 3.47Å; V64-Y68 PolarHBondContact O-N 3.08Å; V64-Y68 VanDerWaalsContact O-N 3.09Å; N65-Y68 PolarHBondContact O-N 3.14Å; Y68-A71 PolarHBondContact O-N 2.89Å; Y68-D72 PolarHBondContact O-N 2.95Å; Y68-P219 VanDerWaalsContact OH-CB 3.27Å; Y68-P219 WeakPolarHBondContact OH-CB 3.07Å; Y68-I220 HydrophobicContact CD1-CD1 3.48Å; Y68-I220 VanDerWaalsContact CD1-CD1 3.48Å; Y68-I220 HydrophobicContact CD2-CD1 3.82Å; Y68-I220 HydrophobicContact CE1-CD1 3.6Å; Y68-I220 HydrophobicContact CE2-CD1 3.9Å; Y68-I220 HydrophobicContact CG-CD1 3.62Å; Y68-R223 HydrophobicContact CD1-CB 3.66Å; Y68-R223 HydrophobicContact CD1-CG 3.77Å; Y68-R223 HydrophobicContact CE1-CB 3.8Å; Y68-R223 HydrophobicContact CE1-CG 4.35Å
69E98.4Very high97.7Very high40 Ų4029.7 Ų29.719%0.18714%0.144CC..Hα-helixtrans-58.9-48.8175.4-174.469.2-165.600111.4N65 Q66 A71 D72 K73 R180 L182N65-E69 PolarHBondContact O-N 2.98Å; Q66-E69 PolarHBondContact O-N 3.16Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 2.71Å; E69-D72 PolarHBondContact O-N 3.29Å; E69-K73 WeakPolarHBondContact O-CG 3.46Å; E69-K73 PolarHBondContact O-N 2.87Å; E69-R180 WeakPolarHBondContact CG-O 3.42Å; E69-L182 HydrophobicContact CG-CB 3.76Å
70V98.4Very high97.9Very high0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-63.9-39178.8175.30000111.3Q66 D72 K73 L74 L162 L167 F169 L182 L203Q66-V70 VanDerWaalsContact O-CG2 3.24Å; Q66-V70 WeakPolarHBondContact O-CG2 3.46Å; Q66-V70 PolarHBondContact O-N 2.93Å; V70-D72 VanDerWaalsContact C-N 3.32Å; V70-D72 PolarHBondContact O-N 3.45Å; V70-K73 PolarHBondContact O-N 2.97Å; V70-L74 HydrophobicContact CG1-CD1 4.21Å; V70-L74 HydrophobicContact CG1-CG 4.36Å; V70-L74 WeakPolarHBondContact O-CB 3.21Å; V70-L74 WeakPolarHBondContact O-CG 3.1Å; V70-L74 PolarHBondContact O-N 2.91Å; V70-L162 HydrophobicContact CG1-CD2 3.86Å; V70-L167 HydrophobicContact CG2-CD1 3.73Å; V70-L167 HydrophobicContact CG2-CD2 4.28Å; V70-F169 HydrophobicContact CG2-CZ 4.36Å; V70-L182 HydrophobicContact CG2-CD2 4.23Å; V70-L203 HydrophobicContact CB-CD2 4.09Å; V70-L203 HydrophobicContact CG1-CD1 4.32Å; V70-L203 HydrophobicContact CG1-CD2 3.63Å
71A98.6Very high98.2Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-61.3-39.8175.300000112.6L67 Y68 E69 A75 I220L67-A71 WeakPolarHBondContact O-CB 3.32Å; L67-A71 PolarHBondContact O-N 3.45Å; Y68-A71 PolarHBondContact O-N 2.89Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 2.71Å; A71-A75 WeakPolarHBondContact O-CB 3.12Å; A71-A75 PolarHBondContact O-N 3.15Å; A71-I220 HydrophobicContact CB-CG2 3.97Å
72D98.7Very high98.3Very high30 Ų3021.1 Ų21.116%0.1611%0.108CC..Hα-helixtrans-66.3-40.3175.7-73.3-20.7000111.5Y68 E69 V70 A75 A76 R223 T227Y68-D72 PolarHBondContact O-N 2.95Å; E69-D72 PolarHBondContact O-N 3.29Å; V70-D72 VanDerWaalsContact C-N 3.32Å; V70-D72 PolarHBondContact O-N 3.45Å; D72-A75 PolarHBondContact O-N 2.9Å; D72-A76 PolarHBondContact O-N 3.07Å; D72-R223 VanDerWaalsContact CG-NE 3.33Å; D72-R223 WeakPolarHBondContact OD1-CD 3.05Å; D72-R223 VanDerWaalsContact OD1-CG 3.27Å; D72-R223 WeakPolarHBondContact OD1-CG 3.49Å; D72-R223 IonicContact OD1-CZ 2.61Å; D72-R223 IonicContact OD1-NE 3.45Å; D72-R223 PolarHBondContact OD1-NE 3.42Å; D72-R223 IonicContact OD1-NH2 2.77Å; D72-R223 PolarHBondContact OD1-NH2 3.14Å; D72-R223 IonicContact OD2-CZ 3.74Å; D72-R223 IonicContact OD2-NE 3.08Å; D72-R223 PolarHBondContact OD2-NE 2.98Å; D72-R223 VanDerWaalsContact OD2-NE 3.1Å; D72-R223 IonicContact OD2-NH2 3.39Å; D72-R223 PolarHBondContact OD2-NH2 3.36Å; D72-T227 PolarHBondContact OD1-OG1 3.26Å
73K98.6Very high98.2Very high47 Ų4723.9 Ų23.920%0.20412%0.124CC..Hα-helixtrans-70.4-36.8177-61.2-47-175.7177.80113.1I24 P25 E69 V70 A75 A76 L77 L182I24-K73 HydrophobicContact CG2-CB 4.04Å; I24-K73 WeakPolarHBondContact CG2-O 3.3Å; P25-K73 HydrophobicContact CG-CG 4.24Å; E69-K73 WeakPolarHBondContact O-CG 3.46Å; E69-K73 PolarHBondContact O-N 2.87Å; V70-K73 PolarHBondContact O-N 2.97Å; K73-A75 VanDerWaalsContact C-N 3.34Å; K73-A76 PolarHBondContact O-N 3.02Å; K73-L77 PolarHBondContact O-N 3.46Å; K73-L182 HydrophobicContact CB-CD2 4.33Å; K73-L182 HydrophobicContact CG-CD2 4.07Å
74L98.6Very high98.2Very high3 Ų322.9 Ų22.92%0.01612%0.119CC..Hα-helixtrans-63.9-40.3171.8-77.8178.1000112.2V70 A76 L77 H78 L162 D199 L200 Y224V70-L74 HydrophobicContact CG1-CD1 4.21Å; V70-L74 HydrophobicContact CG1-CG 4.36Å; V70-L74 WeakPolarHBondContact O-CB 3.21Å; V70-L74 WeakPolarHBondContact O-CG 3.1Å; V70-L74 PolarHBondContact O-N 2.91Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 2.94Å; L74-L77 HydrophobicContact CD2-CD2 4.46Å; L74-L77 PolarHBondContact O-N 2.83Å; L74-H78 WeakPolarHBondContact O-CB 3.31Å; L74-H78 PolarHBondContact O-N 2.82Å; L74-L162 HydrophobicContact CD1-CD2 3.76Å; L74-L162 HydrophobicContact CD2-CD2 3.94Å; L74-L162 HydrophobicContact CG-CD2 4.08Å; L74-D199 HydrophobicContact CD1-CB 3.88Å; L74-D199 HydrophobicContact CD2-CB 3.78Å; L74-D199 HydrophobicContact CG-CB 4.5Å; L74-L200 HydrophobicContact CD1-CD2 3.82Å; L74-L200 HydrophobicContact CD1-CG 3.83Å; L74-Y224 HydrophobicContact CB-CD2 4.07Å; L74-Y224 HydrophobicContact CB-CE2 4.18Å
75A98.7Very high98Very high0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-60-43.2174.100000111.4A71 D72 K73 H78 A79 Y224 T227 L228A71-A75 WeakPolarHBondContact O-CB 3.12Å; A71-A75 PolarHBondContact O-N 3.15Å; D72-A75 PolarHBondContact O-N 2.9Å; K73-A75 VanDerWaalsContact C-N 3.34Å; A75-H78 PolarHBondContact O-N 2.91Å; A75-A79 VanDerWaalsContact O-CB 3.26Å; A75-A79 WeakPolarHBondContact O-CB 3.33Å; A75-A79 PolarHBondContact O-N 2.87Å; A75-Y224 HydrophobicContact CB-CD2 3.99Å; A75-Y224 HydrophobicContact CB-CE2 4.3Å; A75-Y224 WeakPolarHBondContact CB-O 3.37Å; A75-T227 HydrophobicContact CB-CG2 3.67Å; A75-L228 HydrophobicContact CB-CB 4.01Å; A75-L228 WeakPolarHBondContact O-CD1 3.14Å
76A98.6Very high97.8Very high11 Ų1127 Ų279%0.09114%0.142CC..Hα-helixtrans-63.7-43.9175.800000113.1D23 I24 D72 K73 L74 H78 A79 W80 L231D23-A76 WeakPolarHBondContact O-CB 3.48Å; I24-A76 HydrophobicContact CG2-CB 4.14Å; D72-A76 PolarHBondContact O-N 3.07Å; K73-A76 PolarHBondContact O-N 3.02Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 2.94Å; A76-H78 PolarHBondContact O-N 3.42Å; A76-A79 PolarHBondContact O-N 2.96Å; A76-W80 WeakPolarHBondContact O-CB 3.37Å; A76-W80 PolarHBondContact O-N 3.31Å; A76-L231 HydrophobicContact CB-CD1 4.03Å
77L98.7Very high97.6Very high2 Ų228.3 Ų28.31%0.0116%0.156CC..Hα-helixtrans-60.3-46.3175.7179.863.2000111.8F17 P22 I24 K73 L74 W80 S81 I157 W188F17-L77 HydrophobicContact CE1-CD1 4.43Å; F17-L77 HydrophobicContact CZ-CD1 4.03Å; P22-L77 HydrophobicContact CB-CD1 4.01Å; P22-L77 HydrophobicContact CG-CD1 4.03Å; I24-L77 HydrophobicContact CD1-CD1 3.92Å; I24-L77 HydrophobicContact CD1-CD2 4.46Å; I24-L77 HydrophobicContact CG2-CB 4.02Å; K73-L77 PolarHBondContact O-N 3.46Å; L74-L77 HydrophobicContact CD2-CD2 4.46Å; L74-L77 PolarHBondContact O-N 2.83Å; L77-W80 HydrophobicContact CD1-CE3 4.31Å; L77-W80 PolarHBondContact O-N 3.48Å; L77-S81 WeakPolarHBondContact O-CB 3.22Å; L77-S81 PolarHBondContact O-N 3.41Å; L77-I157 HydrophobicContact CD1-CG2 3.62Å; L77-I157 HydrophobicContact CD2-CG2 4.15Å; L77-I157 HydrophobicContact CG-CG2 3.66Å; L77-W188 HydrophobicContact CD2-CH2 3.73Å; L77-W188 HydrophobicContact CD2-CZ3 4Å
78H98.5Very high97.6Very high1 Ų128.5 Ų28.51%0.00516%0.157CC..Hα-helixtrans-70.3-39.5-178.7-65172.8000111.5L74 A75 A76 W80 S81 L82 V156 I157 Y224 L228L74-H78 WeakPolarHBondContact O-CB 3.31Å; L74-H78 PolarHBondContact O-N 2.82Å; A75-H78 PolarHBondContact O-N 2.91Å; A76-H78 PolarHBondContact O-N 3.42Å; H78-W80 VanDerWaalsContact C-N 3.33Å; H78-W80 PolarHBondContact O-N 2.85Å; H78-S81 WeakPolarHBondContact CA-OG 3.35Å; H78-S81 PolarHBondContact O-N 3.25Å; H78-S81 PolarHBondContact O-OG 3.1Å; H78-L82 VanDerWaalsContact O-CG 3.28Å; H78-L82 WeakPolarHBondContact O-CG 3.34Å; H78-L82 PolarHBondContact O-N 3.36Å; H78-V156 HydrophobicContact CB-CB 4.3Å; H78-V156 HydrophobicContact CB-CG1 4.12Å; H78-I157 PolarHBondContact CD2-O 3.45Å; H78-I157 VanDerWaalsContact CD2-O 3.3Å; H78-I157 PolarHBondContact NE2-O 3.25Å; H78-Y224 AromaticContact ND1-CE2 3.41Å; H78-Y224 WeakPolarHBondContact ND1-CE2 3.47Å; H78-Y224 AromaticContact ND1-CZ 3.49Å; H78-Y224 PolarHBondContact ND1-OH 3.43Å; H78-L228 HydrophobicContact CB-CD1 4.27Å; H78-L228 HydrophobicContact CB-CD2 4.48Å
79A98.3Very high97.5Very high5 Ų528.6 Ų28.64%0.04116%0.156CC..Hα-helixtrans-57.8-46.2172.200000111.3A75 A76 S81 L82 T83 L228 L231 L232A75-A79 VanDerWaalsContact O-CB 3.26Å; A75-A79 WeakPolarHBondContact O-CB 3.33Å; A75-A79 PolarHBondContact O-N 2.87Å; A76-A79 PolarHBondContact O-N 2.96Å; A79-S81 PolarHBondContact O-N 3.47Å; A79-L82 PolarHBondContact O-N 3.06Å; A79-T83 WeakPolarHBondContact O-CB 3.35Å; A79-T83 WeakPolarHBondContact O-CG2 3.31Å; A79-T83 PolarHBondContact O-N 2.92Å; A79-T83 PolarHBondContact O-OG1 3.38Å; A79-L228 HydrophobicContact CB-CD1 3.74Å; A79-L231 HydrophobicContact CB-CB 3.68Å; A79-L231 HydrophobicContact CB-CD1 4.3Å; A79-L232 HydrophobicContact CB-CD2 4.28Å
80W98.1Very high97.4Very high25 Ų2533.9 Ų33.910%0.09518%0.181CC..Hα-helixtrans-58.2-47.4173.8171.686.8000111.2L16 F17 D20 P22 A76 L77 H78 L82 T83 T84 C86 W88 I157L16-W80 HydrophobicContact CD1-CH2 4.43Å; L16-W80 HydrophobicContact CD2-CH2 3.97Å; L16-W80 HydrophobicContact CG-CH2 4.09Å; F17-W80 HydrophobicContact CD1-CH2 4.22Å; F17-W80 AromaticContact CE1-CH2 3.94Å; F17-W80 HydrophobicContact CE1-CH2 3.94Å; F17-W80 AromaticContact CE1-CZ3 3.93Å; F17-W80 HydrophobicContact CE1-CZ3 3.93Å; D20-W80 HydrophobicContact CB-CZ2 4.42Å; D20-W80 WeakPolarHBondContact O-CZ2 3.26Å; D20-W80 PolarHBondContact O-NE1 2.9Å; D20-W80 VanDerWaalsContact OD2-CZ2 3.3Å; D20-W80 WeakPolarHBondContact OD2-CZ2 3.15Å; D20-W80 PolarHBondContact OD2-NE1 3.44Å; P22-W80 HydrophobicContact CB-CB 3.97Å; P22-W80 HydrophobicContact CB-CD2 3.77Å; P22-W80 HydrophobicContact CB-CE3 4.18Å; P22-W80 HydrophobicContact CB-CG 3.67Å; P22-W80 HydrophobicContact CG-CD2 4.48Å; A76-W80 WeakPolarHBondContact O-CB 3.37Å; A76-W80 PolarHBondContact O-N 3.31Å; L77-W80 HydrophobicContact CD1-CE3 4.31Å; L77-W80 PolarHBondContact O-N 3.48Å; H78-W80 VanDerWaalsContact C-N 3.33Å; H78-W80 PolarHBondContact O-N 2.85Å; W80-L82 PolarHBondContact O-N 3.49Å; W80-T83 PolarHBondContact O-N 3.25Å; W80-T83 VanDerWaalsContact O-N 3.09Å; W80-T83 PolarHBondContact O-OG1 3.25Å; W80-T84 HydrophobicContact CD2-CG2 4.1Å; W80-T84 HydrophobicContact CE3-CG2 4.4Å; W80-T84 HydrophobicContact CH2-CG2 4.22Å; W80-T84 HydrophobicContact CZ2-CG2 3.93Å; W80-T84 HydrophobicContact CZ3-CG2 4.44Å; W80-T84 WeakPolarHBondContact O-CB 3.47Å; W80-T84 VanDerWaalsContact O-CG2 3.23Å; W80-T84 WeakPolarHBondContact O-CG2 3.32Å; W80-T84 PolarHBondContact O-N 3.21Å; W80-C86 VanDerWaalsContact CZ2-SG 3.58Å; W80-W88 HydrophobicContact CH2-CB 4.13Å; W80-W88 HydrophobicContact CH2-CG 4.35Å; W80-W88 HydrophobicContact CZ3-CG 4.34Å; W80-I157 HydrophobicContact CE3-CG2 4.3Å; W80-I157 HydrophobicContact CZ3-CD1 4.2Å; W80-I157 HydrophobicContact CZ3-CG2 4.11Å
81S98.1Very high97.3Very high3 Ų339.5 Ų39.52%0.02121%0.206CC..Hα-helixtrans-63.9-25.6-178.180.40000114.3L77 H78 A79 W88 V156L77-S81 WeakPolarHBondContact O-CB 3.22Å; L77-S81 PolarHBondContact O-N 3.41Å; H78-S81 WeakPolarHBondContact CA-OG 3.35Å; H78-S81 PolarHBondContact O-N 3.25Å; H78-S81 PolarHBondContact O-OG 3.1Å; A79-S81 PolarHBondContact O-N 3.47Å; S81-W88 PolarHBondContact O-NE1 2.93Å; S81-V156 WeakPolarHBondContact OG-CB 3.46Å
82L97.3Very high97.2Very high32 Ų3240 Ų4017%0.16821%0.208CC..Hα-helixtrans-85.8-20178.2-69.2167.4000113H78 A79 W80 M153 P154 V156 L232H78-L82 VanDerWaalsContact O-CG 3.28Å; H78-L82 WeakPolarHBondContact O-CG 3.34Å; H78-L82 PolarHBondContact O-N 3.36Å; A79-L82 PolarHBondContact O-N 3.06Å; W80-L82 PolarHBondContact O-N 3.49Å; L82-M153 HydrophobicContact CD1-CE 4.12Å; L82-M153 HydrophobicContact CD1-CG 4.09Å; L82-M153 HydrophobicContact CD1-SD 3.74Å; L82-M153 HydrophobicContact CD2-CG 4.04Å; L82-M153 HydrophobicContact CD2-SD 4.49Å; L82-P154 HydrophobicContact CD2-CB 4.47Å; L82-P154 HydrophobicContact CD2-CG 4.48Å; L82-V156 HydrophobicContact CD1-CG1 4.3Å; L82-V156 HydrophobicContact CD2-CG1 4.02Å; L82-V156 HydrophobicContact CG-CG1 4.03Å; L82-L232 HydrophobicContact CB-CD2 4.1Å; L82-L232 HydrophobicContact CD1-CD1 4.3Å; L82-L232 HydrophobicContact CD1-CD2 3.87Å
83T96.8Very high97.2Very high57 Ų5739.4 Ų39.435%0.3521%0.207SC..Hα-helixtrans-119.3-20.6-168.957.30000114A79 W80 L232 P233 V236A79-T83 WeakPolarHBondContact O-CB 3.35Å; A79-T83 WeakPolarHBondContact O-CG2 3.31Å; A79-T83 PolarHBondContact O-N 2.92Å; A79-T83 PolarHBondContact O-OG1 3.38Å; W80-T83 PolarHBondContact O-N 3.25Å; W80-T83 VanDerWaalsContact O-N 3.09Å; W80-T83 PolarHBondContact O-OG1 3.25Å; T83-L232 HydrophobicContact CG2-CD2 4.09Å; T83-P233 VanDerWaalsContact CG2-CD 3.5Å; T83-P233 HydrophobicContact CG2-CG 3.93Å; T83-V236 HydrophobicContact CG2-CG2 4.34Å
84T96.1Very high97.1Very high29 Ų2938.8 Ų38.818%0.17821%0.208CC..  trans-69.2151177-1750000112.6D20 W80 C86D20-T84 WeakPolarHBondContact OD2-CB 3.39Å; D20-T84 PolarHBondContact OD2-OG1 2.96Å; W80-T84 HydrophobicContact CD2-CG2 4.1Å; W80-T84 HydrophobicContact CE3-CG2 4.4Å; W80-T84 HydrophobicContact CH2-CG2 4.22Å; W80-T84 HydrophobicContact CZ2-CG2 3.93Å; W80-T84 HydrophobicContact CZ3-CG2 4.44Å; W80-T84 WeakPolarHBondContact O-CB 3.47Å; W80-T84 VanDerWaalsContact O-CG2 3.23Å; W80-T84 WeakPolarHBondContact O-CG2 3.32Å; W80-T84 PolarHBondContact O-N 3.21Å; T84-C86 WeakPolarHBondContact CG2-SG 3.39Å; T84-C86 PolarHBondContact OG1-N 3.13Å; T84-C86 PolarHBondContact OG1-SG 3.42Å
85N94.3Very high96.9Very high165 Ų16539.1 Ų39.188%0.88221%0.21SC*.  trans-1039.8174.3-65.3-58000113.2G87N85-G87 PolarHBondContact O-N 3.09Å; N85-G87 VanDerWaalsContact O-N 3.17Å
86C93.7Very high96.5Very high43 Ų4343.8 Ų43.829%0.29123%0.231SC..SBendtrans-74.5-0.3-170.767.40000115.8L16 D20 W80 T84L16-C86 HydrophobicContact CD1-CB 4.2Å; D20-C86 HydrophobicContact CB-CB 3.86Å; D20-C86 WeakPolarHBondContact OD2-CB 3.43Å; D20-C86 PolarHBondContact OD2-SG 3.19Å; W80-C86 VanDerWaalsContact CZ2-SG 3.58Å; T84-C86 WeakPolarHBondContact CG2-SG 3.39Å; T84-C86 PolarHBondContact OG1-N 3.13Å; T84-C86 PolarHBondContact OG1-SG 3.42Å
87G94.5Very high96.3Very high28 Ų2846.5 Ų46.529%0.28925%0.247SC..  trans63.743.4179.900000112.7N85 R89 E90N85-G87 PolarHBondContact O-N 3.09Å; N85-G87 VanDerWaalsContact O-N 3.17Å; G87-R89 PolarHBondContact O-N 2.93Å; G87-E90 WeakPolarHBondContact CA-OE2 3.5Å
88W97.5Very high96Very high5 Ų547.5 Ų47.52%0.01925%0.253CS..  trans-67.4-25.8-179.665.6-96.5000112.9L16 W80 S81 E90 K91 V92 I157 Q193L16-W88 HydrophobicContact CD1-CB 4.07Å; L16-W88 HydrophobicContact CD2-CB 3.48Å; L16-W88 VanDerWaalsContact CD2-CB 3.48Å; L16-W88 HydrophobicContact CG-CB 4.36Å; W80-W88 HydrophobicContact CH2-CB 4.13Å; W80-W88 HydrophobicContact CH2-CG 4.35Å; W80-W88 HydrophobicContact CZ3-CG 4.34Å; S81-W88 PolarHBondContact O-NE1 2.93Å; W88-E90 VanDerWaalsContact C-N 3.28Å; W88-E90 PolarHBondContact O-N 3.47Å; W88-K91 WeakPolarHBondContact O-CB 3.48Å; W88-K91 PolarHBondContact O-N 3.4Å; W88-V92 HydrophobicContact CE3-CG2 3.88Å; W88-V92 HydrophobicContact CZ3-CG2 3.96Å; W88-V92 PolarHBondContact O-N 3.39Å; W88-I157 HydrophobicContact CD2-CB 4.25Å; W88-I157 HydrophobicContact CE3-CB 3.8Å; W88-I157 HydrophobicContact CE3-CD1 4.03Å; W88-I157 HydrophobicContact CE3-CG1 3.95Å; W88-I157 HydrophobicContact CH2-CB 3.93Å; W88-I157 HydrophobicContact CZ2-CB 4.32Å; W88-I157 HydrophobicContact CZ3-CB 3.62Å; W88-I157 HydrophobicContact CZ3-CG1 3.99Å; W88-Q193 HydrophobicContact CH2-CG 4.22Å; W88-Q193 HydrophobicContact CZ3-CB 4.32Å; W88-Q193 HydrophobicContact CZ3-CG 3.71Å
89R97.2Very high95.6Very high74 Ų7448.7 Ų48.728%0.27926%0.261SS..THydrogen-bonded Turntrans-62.8-36-176.9-63.2-174-178.2-68.6-4.7111.9G87 K91 D155 Q193G87-R89 PolarHBondContact O-N 2.93Å; R89-K91 PolarHBondContact O-N 3.31Å; R89-D155 VanDerWaalsContact CZ-O 3.22Å; R89-D155 PolarHBondContact NH1-O 3.43Å; R89-D155 PolarHBondContact NH2-O 2.81Å; R89-Q193 PolarHBondContact O-NE2 3.43Å
90E96.2Very high95.2Very high152 Ų15249.3 Ų49.371%0.7127%0.268SS*.THydrogen-bonded Turntrans-74.6-11.9177.1-60.484.5176.600113G87 W88G87-E90 WeakPolarHBondContact CA-OE2 3.5Å; W88-E90 VanDerWaalsContact C-N 3.28Å; W88-E90 PolarHBondContact O-N 3.47Å
91K95.8Very high94.8Very high117 Ų11748.7 Ų48.751%0.50927%0.266SS..THydrogen-bonded Turntrans-94-20.7-175.8-56.2-60.9-177.5171.90113.6A12 W88 R89A12-K91 HydrophobicContact CB-CB 4.45Å; W88-K91 WeakPolarHBondContact O-CB 3.48Å; W88-K91 PolarHBondContact O-N 3.4Å; R89-K91 PolarHBondContact O-N 3.31Å
92V97.6Very high94.3Very high10 Ų1051.4 Ų51.46%0.06128%0.282CS..SBendtrans-123.8152.9-175.7-57.30000111.4V13 W88 Q193V13-V92 HydrophobicContact CG2-CG1 3.73Å; W88-V92 HydrophobicContact CE3-CG2 3.88Å; W88-V92 HydrophobicContact CZ3-CG2 3.96Å; W88-V92 PolarHBondContact O-N 3.39Å; V92-Q193 HydrophobicContact CG2-CG 3.87Å
93P97.5Very high93.9Very high19 Ų1952.8 Ų52.812%0.12329%0.288CS..  trans-56.4153.8177.6-25.635.8000113.2L5 T97 V98 C191 H192 Q193L5-P93 HydrophobicContact CD1-CG 4.18Å; P93-T97 HydrophobicContact CB-CG2 4.22Å; P93-V98 HydrophobicContact CB-CG2 3.97Å; P93-C191 WeakPolarHBondContact CD-O 3.04Å; P93-H192 HydrophobicContact CB-CB 4.23Å; P93-H192 WeakPolarHBondContact O-CA 3.27Å; P93-H192 WeakPolarHBondContact O-CB 3.43Å; P93-Q193 PolarHBondContact O-N 3.14Å
94S96.2Very high93.5Very high33 Ų3357 Ų5723%0.23130%0.298CS..  trans-75.2159.8170.275.20000111.7E96 T97 V98S94-E96 VanDerWaalsContact C-N 3.26Å; S94-E96 PolarHBondContact O-N 2.76Å; S94-E96 PolarHBondContact OG-OE2 3.48Å; S94-T97 WeakPolarHBondContact O-CB 3.26Å; S94-T97 PolarHBondContact O-N 3.45Å; S94-T97 VanDerWaalsContact O-N 3.08Å; S94-T97 PolarHBondContact OG-N 3.11Å; S94-T97 PolarHBondContact OG-OG1 3.49Å; S94-V98 PolarHBondContact O-N 3.46Å; S94-V98 VanDerWaalsContact O-N 3.14Å
95F94.2Very high93.2Very high11 Ų1159.4 Ų59.45%0.04831%0.307CS..Hα-helixtrans-54.1-43.6174-177.3-117.3000112.2T97 V98 C99 A146 F149 Q193 P195 Y251F95-T97 VanDerWaalsContact C-N 3.3Å; F95-T97 PolarHBondContact O-N 2.96Å; F95-V98 PolarHBondContact O-N 2.88Å; F95-C99 WeakPolarHBondContact CE1-SG 3.4Å; F95-C99 WeakPolarHBondContact CZ-SG 3.37Å; F95-C99 WeakPolarHBondContact O-CB 3.43Å; F95-C99 PolarHBondContact O-N 3.46Å; F95-C99 PolarHBondContact O-SG 3.3Å; F95-A146 HydrophobicContact CD1-CB 4.3Å; F95-A146 HydrophobicContact CE1-CB 3.88Å; F95-F149 AromaticContact CD1-CZ 3.93Å; F95-F149 HydrophobicContact CD1-CZ 3.93Å; F95-F149 HydrophobicContact CE1-CE1 4Å; F95-F149 AromaticContact CE1-CZ 3.77Å; F95-F149 HydrophobicContact CE1-CZ 3.77Å; F95-F149 HydrophobicContact CE2-CZ 4.47Å; F95-F149 HydrophobicContact CG-CZ 4.35Å; F95-F149 HydrophobicContact CZ-CE1 4.05Å; F95-F149 HydrophobicContact CZ-CZ 4.05Å; F95-Q193 WeakPolarHBondContact CA-O 3.36Å; F95-Q193 VanDerWaalsContact CB-O 3.24Å; F95-Q193 WeakPolarHBondContact CB-O 3.28Å; F95-Q193 PolarHBondContact N-O 2.76Å; F95-P195 HydrophobicContact CD2-CG 4.43Å; F95-P195 HydrophobicContact CE2-CG 3.89Å; F95-P195 HydrophobicContact CZ-CG 4.32Å; F95-Y251 HydrophobicContact CZ-CE2 4.48Å
96E91.9Very high93Very high98 Ų9851.8 Ų51.846%0.45827%0.266SS..Hα-helixtrans-63.5-37179.1-65.774.3-164.100112S94 G100 R150S94-E96 VanDerWaalsContact C-N 3.26Å; S94-E96 PolarHBondContact O-N 2.76Å; S94-E96 PolarHBondContact OG-OE2 3.48Å; E96-G100 PolarHBondContact O-N 2.87Å; E96-R150 IonicContact OE1-CZ 2.76Å; E96-R150 IonicContact OE1-NH1 2.79Å; E96-R150 PolarHBondContact OE1-NH1 3.21Å; E96-R150 IonicContact OE1-NH2 3.51Å; E96-R150 PolarHBondContact OE1-NH2 2.88Å; E96-R150 IonicContact OE2-NH2 3.64Å
97T93.5Very high92.8Very high68 Ų6852.7 Ų52.742%0.41728%0.277SS..Hα-helixtrans-64.1-46.8177.7-59.30000110.4P93 S94 F95 G100 I101P93-T97 HydrophobicContact CB-CG2 4.22Å; S94-T97 WeakPolarHBondContact O-CB 3.26Å; S94-T97 PolarHBondContact O-N 3.45Å; S94-T97 VanDerWaalsContact O-N 3.08Å; S94-T97 PolarHBondContact OG-N 3.11Å; S94-T97 PolarHBondContact OG-OG1 3.49Å; F95-T97 VanDerWaalsContact C-N 3.3Å; F95-T97 PolarHBondContact O-N 2.96Å; T97-G100 PolarHBondContact O-N 2.92Å; T97-I101 WeakPolarHBondContact O-CG1 3.47Å; T97-I101 PolarHBondContact O-N 2.94Å
98V92.7Very high92.7Very high22 Ų2256.1 Ų56.113%0.13329%0.285CS..Hα-helixtrans-67.6-43.8178.1176.70000111.2P93 S94 F95 G100 I101 V102 H192P93-V98 HydrophobicContact CB-CG2 3.97Å; S94-V98 PolarHBondContact O-N 3.46Å; S94-V98 VanDerWaalsContact O-N 3.14Å; F95-V98 PolarHBondContact O-N 2.88Å; V98-G100 VanDerWaalsContact C-N 3.27Å; V98-G100 PolarHBondContact O-N 3.49Å; V98-I101 WeakPolarHBondContact O-CA 3.47Å; V98-I101 WeakPolarHBondContact O-CB 3.32Å; V98-I101 PolarHBondContact O-N 3.35Å; V98-V102 HydrophobicContact CG1-CG2 4.07Å; V98-V102 WeakPolarHBondContact O-CG2 3.46Å; V98-V102 PolarHBondContact O-N 3.44Å; V98-H192 HydrophobicContact CG2-CB 3.58Å
99C90Very high92.5Very high27 Ų2757.3 Ų57.318%0.18229%0.291CS..Hα-helixtrans-53.3-45.6174.5-77.50000111.9F95 I101 V102 Q103F95-C99 WeakPolarHBondContact CE1-SG 3.4Å; F95-C99 WeakPolarHBondContact CZ-SG 3.37Å; F95-C99 WeakPolarHBondContact O-CB 3.43Å; F95-C99 PolarHBondContact O-N 3.46Å; F95-C99 PolarHBondContact O-SG 3.3Å; C99-I101 VanDerWaalsContact C-N 3.3Å; C99-I101 PolarHBondContact O-N 2.88Å; C99-V102 PolarHBondContact O-N 3.29Å; C99-Q103 WeakPolarHBondContact O-CB 3.43Å; C99-Q103 WeakPolarHBondContact O-CG 3.34Å; C99-Q103 PolarHBondContact O-N 3.39Å
100G89.7Confident92.3Very high17 Ų1754.4 Ų54.418%0.17528%0.281CS..Hα-helixtrans-64.4-31.6177.600000113.6E96 T97 V98 R104E96-G100 PolarHBondContact O-N 2.87Å; T97-G100 PolarHBondContact O-N 2.92Å; V98-G100 VanDerWaalsContact C-N 3.27Å; V98-G100 PolarHBondContact O-N 3.49Å; G100-R104 WeakPolarHBondContact O-CG 3.49Å; G100-R104 VanDerWaalsContact O-CZ 3.27Å; G100-R104 PolarHBondContact O-NH1 3.38Å; G100-R104 VanDerWaalsContact O-NH1 3.09Å
101I90.4Very high92.2Very high12 Ų1251.5 Ų51.56%0.06227%0.267CS..Hα-helixtrans-70.1-52172.1-66164.7000109.9V2 L5 T97 V98 C99 Q103 R104 E105V2-I101 HydrophobicContact CG1-CG2 4.4Å; V2-I101 HydrophobicContact CG2-CG2 4.39Å; L5-I101 HydrophobicContact CD2-CD1 3.51Å; T97-I101 WeakPolarHBondContact O-CG1 3.47Å; T97-I101 PolarHBondContact O-N 2.94Å; V98-I101 WeakPolarHBondContact O-CA 3.47Å; V98-I101 WeakPolarHBondContact O-CB 3.32Å; V98-I101 PolarHBondContact O-N 3.35Å; C99-I101 VanDerWaalsContact C-N 3.3Å; C99-I101 PolarHBondContact O-N 2.88Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 PolarHBondContact O-N 3.08Å; I101-R104 PolarHBondContact O-N 2.83Å; I101-R104 VanDerWaalsContact O-N 3.09Å; I101-E105 HydrophobicContact CG2-CG 4.15Å; I101-E105 WeakPolarHBondContact O-CG 3.23Å; I101-E105 PolarHBondContact O-N 3.24Å
102V87.3Confident92.1Very high60 Ų6048 Ų4836%0.36425%0.254SS..Hα-helixtrans-56.9-44.9-178.8172.10000111.2V98 C99 R104 E105 M106V98-V102 HydrophobicContact CG1-CG2 4.07Å; V98-V102 WeakPolarHBondContact O-CG2 3.46Å; V98-V102 PolarHBondContact O-N 3.44Å; C99-V102 PolarHBondContact O-N 3.29Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 2.94Å; V102-E105 PolarHBondContact O-N 2.8Å; V102-M106 HydrophobicContact CG1-CE 4.45Å; V102-M106 WeakPolarHBondContact O-CB 3.42Å; V102-M106 PolarHBondContact O-N 3.1Å
103Q87.6Confident91.9Very high62 Ų6247.5 Ų47.529%0.2925%0.251SS..Hα-helixtrans-56.4-43.4176.9-77.4175.8-36.100112.4C99 I101 L136C99-Q103 WeakPolarHBondContact O-CB 3.43Å; C99-Q103 WeakPolarHBondContact O-CG 3.34Å; C99-Q103 PolarHBondContact O-N 3.39Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 PolarHBondContact O-N 3.08Å; Q103-L136 PolarHBondContact NE2-O 3.3Å
104R89.1Confident91.6Very high146 Ų14648.1 Ų48.155%0.55126%0.257SS*.Hα-helixtrans-68.8-47179.2-71.8-170.2-58.6-91.3-0.4112.3G100 I101 V102 M106G100-R104 WeakPolarHBondContact O-CG 3.49Å; G100-R104 VanDerWaalsContact O-CZ 3.27Å; G100-R104 PolarHBondContact O-NH1 3.38Å; G100-R104 VanDerWaalsContact O-NH1 3.09Å; I101-R104 PolarHBondContact O-N 2.83Å; I101-R104 VanDerWaalsContact O-N 3.09Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 2.94Å; R104-M106 VanDerWaalsContact C-N 3.34Å
105E90.2Very high91.4Very high79 Ų7953.3 Ų53.337%0.36928%0.276SS..Hα-helixtrans-67.8-36.8-178.9-63.1-56.3137.400111.3I101 V102 A107 H108 M109I101-E105 HydrophobicContact CG2-CG 4.15Å; I101-E105 WeakPolarHBondContact O-CG 3.23Å; I101-E105 PolarHBondContact O-N 3.24Å; V102-E105 PolarHBondContact O-N 2.8Å; E105-A107 VanDerWaalsContact C-N 3.33Å; E105-A107 PolarHBondContact O-N 3.25Å; E105-H108 WeakPolarHBondContact O-CB 3.47Å; E105-H108 PolarHBondContact O-N 2.83Å; E105-H108 VanDerWaalsContact O-N 3.1Å; E105-M109 WeakPolarHBondContact O-CG 3.4Å; E105-M109 PolarHBondContact O-N 2.83Å; E105-M109 VanDerWaalsContact O-N 3.08Å
106M90.3Very high91.3Very high5 Ų558.3 Ų58.33%0.02530%0.297CS..Hα-helixtrans-66.5-33-176.1-16559.573.500112.9V102 R104 H108 M109 I110 L136 V258 I259 C261 L262V102-M106 HydrophobicContact CG1-CE 4.45Å; V102-M106 WeakPolarHBondContact O-CB 3.42Å; V102-M106 PolarHBondContact O-N 3.1Å; R104-M106 VanDerWaalsContact C-N 3.34Å; M106-H108 PolarHBondContact O-N 3.08Å; M106-M109 PolarHBondContact O-N 3.36Å; M106-M109 VanDerWaalsContact O-N 3.16Å; M106-M109 HydrophobicContact SD-CB 4.01Å; M106-I110 HydrophobicContact CG-CD1 4.09Å; M106-I110 HydrophobicContact CG-CG1 4.28Å; M106-I110 WeakPolarHBondContact O-CD1 3.48Å; M106-I110 VanDerWaalsContact O-CG1 3.23Å; M106-I110 WeakPolarHBondContact O-CG1 3.42Å; M106-I110 PolarHBondContact O-N 3.34Å; M106-L136 HydrophobicContact CB-CD1 3.9Å; M106-L136 HydrophobicContact CG-CD1 3.41Å; M106-L136 VanDerWaalsContact CG-CD1 3.41Å; M106-L136 HydrophobicContact CG-CD2 4.46Å; M106-V258 HydrophobicContact CE-CG1 3.78Å; M106-V258 WeakPolarHBondContact CE-O 3.27Å; M106-V258 HydrophobicContact CG-CG1 4.34Å; M106-V258 VanDerWaalsContact SD-O 3.37Å; M106-I259 HydrophobicContact CE-CD1 4.49Å; M106-C261 HydrophobicContact SD-CB 4.17Å; M106-L262 HydrophobicContact CE-CB 3.83Å; M106-L262 HydrophobicContact SD-CB 4.21Å
107A89.5Confident91.4Very high62 Ų6253.6 Ų53.651%0.51228%0.275SS..Hα-helixtrans-56.6-41.2173.500000111.5E105 E111E105-A107 VanDerWaalsContact C-N 3.33Å; E105-A107 PolarHBondContact O-N 3.25Å; A107-E111 PolarHBondContact O-N 3.24Å
108H91.4Very high91.2Very high99 Ų9953.4 Ų53.446%0.45827%0.269SS..Hα-helixtrans-69.5-41.6175.9-174.153.3000112.2E105 M106 I110 E111 I112E105-H108 WeakPolarHBondContact O-CB 3.47Å; E105-H108 PolarHBondContact O-N 2.83Å; E105-H108 VanDerWaalsContact O-N 3.1Å; M106-H108 PolarHBondContact O-N 3.08Å; H108-I110 PolarHBondContact O-N 3.09Å; H108-E111 PolarHBondContact O-N 3.15Å; H108-I112 VanDerWaalsContact NE2-CD1 3.35Å; H108-I112 WeakPolarHBondContact NE2-CD1 3.42Å; H108-I112 WeakPolarHBondContact O-CG1 3.14Å; H108-I112 PolarHBondContact O-N 3.36Å
109M93.6Very high91Very high30 Ų3058.4 Ų58.415%0.14830%0.295CS..Hα-helixtrans-63.4-42.1178.4-60.9-54.6168.900112.1E105 M106 E111 I112 T113 C261 L262 V265E105-M109 WeakPolarHBondContact O-CG 3.4Å; E105-M109 PolarHBondContact O-N 2.83Å; E105-M109 VanDerWaalsContact O-N 3.08Å; M106-M109 PolarHBondContact O-N 3.36Å; M106-M109 VanDerWaalsContact O-N 3.16Å; M106-M109 HydrophobicContact SD-CB 4.01Å; M109-E111 VanDerWaalsContact C-N 3.3Å; M109-E111 PolarHBondContact O-N 3.12Å; M109-I112 PolarHBondContact O-N 2.71Å; M109-T113 PolarHBondContact O-N 3.21Å; M109-T113 PolarHBondContact O-OG1 3Å; M109-C261 HydrophobicContact CB-CB 4.32Å; M109-L262 HydrophobicContact CE-CD1 4Å; M109-L262 HydrophobicContact CG-CD1 3.94Å; M109-L262 HydrophobicContact SD-CD1 4.16Å; M109-V265 HydrophobicContact CB-CG2 4.35Å; M109-V265 HydrophobicContact SD-CB 3.97Å; M109-V265 HydrophobicContact SD-CG1 3.84Å; M109-V265 HydrophobicContact SD-CG2 3.88Å
110I93.5Very high90.9Very high14 Ų1463.3 Ų63.37%0.07232%0.315CS..Hα-helixtrans-56.9-46.7175-69.6163.6000110.4M106 H108 T113 A114 F129 I132 L136 C261M106-I110 HydrophobicContact CG-CD1 4.09Å; M106-I110 HydrophobicContact CG-CG1 4.28Å; M106-I110 WeakPolarHBondContact O-CD1 3.48Å; M106-I110 VanDerWaalsContact O-CG1 3.23Å; M106-I110 WeakPolarHBondContact O-CG1 3.42Å; M106-I110 PolarHBondContact O-N 3.34Å; H108-I110 PolarHBondContact O-N 3.09Å; I110-T113 PolarHBondContact O-N 3.11Å; I110-A114 WeakPolarHBondContact O-CB 3.47Å; I110-A114 PolarHBondContact O-N 3.33Å; I110-F129 HydrophobicContact CG2-CB 3.93Å; I110-F129 HydrophobicContact CG2-CD1 4.27Å; I110-F129 HydrophobicContact CG2-CG 4.46Å; I110-I132 HydrophobicContact CD1-CB 4.38Å; I110-I132 HydrophobicContact CD1-CG2 3.67Å; I110-I132 HydrophobicContact CG1-CG2 4.09Å; I110-L136 HydrophobicContact CD1-CD1 3.59Å; I110-C261 HydrophobicContact CG1-CB 4.08Å
111E93.4Very high91Very high91 Ų9163.3 Ų63.343%0.42531%0.312SS..Hα-helixtrans-61.1-46.8179-176.1178-169.800111.9A107 H108 M109 A114 K115A107-E111 PolarHBondContact O-N 3.24Å; H108-E111 PolarHBondContact O-N 3.15Å; M109-E111 VanDerWaalsContact C-N 3.3Å; M109-E111 PolarHBondContact O-N 3.12Å; E111-A114 PolarHBondContact O-N 2.82Å; E111-K115 HydrophobicContact CG-CD 3.76Å; E111-K115 HydrophobicContact CG-CG 4.38Å; E111-K115 WeakPolarHBondContact O-CB 3.49Å; E111-K115 WeakPolarHBondContact O-CG 3.22Å; E111-K115 PolarHBondContact O-N 3.43Å; E111-K115 IonicContact OE1-NZ 2.81Å; E111-K115 PolarHBondContact OE1-NZ 2.81Å
112I93.8Very high91Very high43 Ų4373.1 Ų73.122%0.22135%0.348CS..Hα-helixtrans-61.4-48.8177.8-67.3168.9000110.5H108 M109 A114 K116 I117 V265H108-I112 VanDerWaalsContact NE2-CD1 3.35Å; H108-I112 WeakPolarHBondContact NE2-CD1 3.42Å; H108-I112 WeakPolarHBondContact O-CG1 3.14Å; H108-I112 PolarHBondContact O-N 3.36Å; M109-I112 PolarHBondContact O-N 2.71Å; I112-A114 VanDerWaalsContact C-N 3.34Å; I112-A114 PolarHBondContact O-N 2.95Å; I112-K116 WeakPolarHBondContact O-CA 3.45Å; I112-K116 VanDerWaalsContact O-CB 3.27Å; I112-K116 WeakPolarHBondContact O-CB 3.4Å; I112-K116 PolarHBondContact O-N 3.25Å; I112-I117 HydrophobicContact CG2-CD1 4.07Å; I112-I117 HydrophobicContact CG2-CG1 4.32Å; I112-I117 PolarHBondContact O-N 3.17Å; I112-V265 HydrophobicContact CB-CG2 4.03Å; I112-V265 HydrophobicContact CG2-CG2 3.79Å
113T93.2Very high91.2Very high0 Ų076.2 Ų76.20%035%0.353CS..Hα-helixtrans-61.1-46-179-51.30000110.8M109 I110 I117 K118 L124 F129 C261 A264M109-T113 PolarHBondContact O-N 3.21Å; M109-T113 PolarHBondContact O-OG1 3Å; I110-T113 PolarHBondContact O-N 3.11Å; T113-I117 HydrophobicContact CG2-CB 4.43Å; T113-I117 PolarHBondContact O-N 2.69Å; T113-K118 WeakPolarHBondContact O-CB 3.38Å; T113-K118 PolarHBondContact O-N 3.49Å; T113-L124 HydrophobicContact CG2-CD1 4Å; T113-F129 HydrophobicContact CG2-CE1 3.67Å; T113-F129 HydrophobicContact CG2-CZ 4.03Å; T113-C261 WeakPolarHBondContact OG1-CA 3.38Å; T113-C261 PolarHBondContact OG1-O 3.04Å; T113-C261 VanDerWaalsContact OG1-O 3.12Å; T113-A264 HydrophobicContact CG2-CB 3.74Å
114A92.5Very high91.5Very high31 Ų3173.2 Ų73.226%0.25634%0.339SS..Hα-helixtrans-67.4-44.4-177.200000113.1I110 E111 I112 F129I110-A114 WeakPolarHBondContact O-CB 3.47Å; I110-A114 PolarHBondContact O-N 3.33Å; E111-A114 PolarHBondContact O-N 2.82Å; I112-A114 VanDerWaalsContact C-N 3.34Å; I112-A114 PolarHBondContact O-N 2.95Å; A114-F129 HydrophobicContact CB-CD1 4.12Å; A114-F129 HydrophobicContact CB-CD2 3.58Å; A114-F129 HydrophobicContact CB-CE1 4.23Å; A114-F129 HydrophobicContact CB-CE2 3.69Å; A114-F129 HydrophobicContact CB-CG 3.81Å; A114-F129 HydrophobicContact CB-CZ 4.03Å
115K92.5Very high91.7Very high143 Ų14370.4 Ų70.462%0.62234%0.335SS*.Hα-helixtrans-86.9-30.5-173.5-66.1-176.4-179.8175.50113.7E111 N119E111-K115 HydrophobicContact CG-CD 3.76Å; E111-K115 HydrophobicContact CG-CG 4.38Å; E111-K115 WeakPolarHBondContact O-CB 3.49Å; E111-K115 WeakPolarHBondContact O-CG 3.22Å; E111-K115 PolarHBondContact O-N 3.43Å; E111-K115 IonicContact OE1-NZ 2.81Å; E111-K115 PolarHBondContact OE1-NZ 2.81Å; K115-N119 PolarHBondContact O-ND2 3.22Å
116K91.7Very high91.9Very high115 Ų11569 Ų6950%0.534%0.337SS..THydrogen-bonded Turntrans-110.6-62.8-172.9-170.4176.6-179.7178.50111.8I112 K118 N119I112-K116 WeakPolarHBondContact O-CA 3.45Å; I112-K116 VanDerWaalsContact O-CB 3.27Å; I112-K116 WeakPolarHBondContact O-CB 3.4Å; I112-K116 PolarHBondContact O-N 3.25Å; K116-K118 PolarHBondContact O-N 3.07Å; K116-N119 PolarHBondContact O-N 3.09Å
117I92.4Very high92.1Very high0 Ų069 Ų690%034%0.337CS..G310 helixtrans-72.2-39-165.4-53.2173.5000111.7I112 T113 N119 E120 T121 L124 V265 W268 F281I112-I117 HydrophobicContact CG2-CD1 4.07Å; I112-I117 HydrophobicContact CG2-CG1 4.32Å; I112-I117 PolarHBondContact O-N 3.17Å; T113-I117 HydrophobicContact CG2-CB 4.43Å; T113-I117 PolarHBondContact O-N 2.69Å; I117-N119 PolarHBondContact O-N 3.24Å; I117-E120 WeakPolarHBondContact O-CB 3.32Å; I117-E120 PolarHBondContact O-N 2.81Å; I117-T121 HydrophobicContact CG2-CG2 4.46Å; I117-T121 PolarHBondContact O-N 2.72Å; I117-L124 HydrophobicContact CB-CD1 4.37Å; I117-L124 HydrophobicContact CG2-CD1 3.63Å; I117-V265 HydrophobicContact CD1-CB 4.24Å; I117-V265 HydrophobicContact CD1-CG2 3.73Å; I117-W268 HydrophobicContact CD1-CB 3.6Å; I117-W268 HydrophobicContact CD1-CG 3.88Å; I117-W268 HydrophobicContact CG1-CB 4Å; I117-W268 HydrophobicContact CG1-CD2 4.01Å; I117-W268 HydrophobicContact CG1-CE3 4.44Å; I117-W268 HydrophobicContact CG1-CG 3.78Å; I117-W268 HydrophobicContact CG2-CB 4.31Å; I117-W268 HydrophobicContact CG2-CD2 4.3Å; I117-W268 HydrophobicContact CG2-CE3 3.92Å; I117-W268 HydrophobicContact CG2-CG 4.47Å; I117-F281 HydrophobicContact CG2-CE1 3.98Å; I117-F281 HydrophobicContact CG2-CZ 3.91Å
118K89.6Confident92.4Very high63 Ų6368.5 Ų68.527%0.27433%0.325SS..G310 helixtrans-58.5-34.3179.3179.6167.2177.1168.40112.9T113 K116 E120 T121 F129T113-K118 WeakPolarHBondContact O-CB 3.38Å; T113-K118 PolarHBondContact O-N 3.49Å; K116-K118 PolarHBondContact O-N 3.07Å; K118-E120 PolarHBondContact O-N 3.38Å; K118-T121 PolarHBondContact O-N 2.79Å; K118-F129 HydrophobicContact CB-CZ 4.37Å; K118-F129 HydrophobicContact CD-CE2 3.52Å; K118-F129 HydrophobicContact CD-CZ 3.94Å
119N89.2Confident92.5Very high128 Ų12864.9 Ų64.968%0.68431%0.309SS*.G310 helixtrans-71.6-16179.2-66.8-33.5000113K115 K116 I117K115-N119 PolarHBondContact O-ND2 3.22Å; K116-N119 PolarHBondContact O-N 3.09Å; I117-N119 PolarHBondContact O-N 3.24Å
120E88.6Confident92.5Very high130 Ų13069.3 Ų69.361%0.60733%0.333SS*.G310 helixtrans-99.3-15.7-176.4-61.2-71.5162.300112.3I117 K118 W268I117-E120 WeakPolarHBondContact O-CB 3.32Å; I117-E120 PolarHBondContact O-N 2.81Å; K118-E120 PolarHBondContact O-N 3.38Å; E120-W268 HydrophobicContact CB-CH2 3.65Å; E120-W268 HydrophobicContact CB-CZ3 3.49Å; E120-W268 VanDerWaalsContact CB-CZ3 3.49Å; E120-W268 HydrophobicContact CG-CH2 3.43Å; E120-W268 VanDerWaalsContact CG-CH2 3.43Å; E120-W268 HydrophobicContact CG-CZ2 4.24Å; E120-W268 HydrophobicContact CG-CZ3 3.83Å
121T90.3Very high92.5Very high17 Ų1771.8 Ų71.810%0.10434%0.343CS..  trans-150.6126.2178-175.60000113.5I117 K118 R123 L124 F281I117-T121 HydrophobicContact CG2-CG2 4.46Å; I117-T121 PolarHBondContact O-N 2.72Å; K118-T121 PolarHBondContact O-N 2.79Å; T121-R123 PolarHBondContact O-N 3.07Å; T121-R123 VanDerWaalsContact O-N 3.15Å; T121-R123 WeakPolarHBondContact OG1-CB 3.31Å; T121-R123 WeakPolarHBondContact OG1-CG 3.34Å; T121-R123 PolarHBondContact OG1-N 3.05Å; T121-L124 HydrophobicContact CG2-CD1 4.01Å; T121-L124 HydrophobicContact CG2-CG 3.97Å; T121-L124 PolarHBondContact O-N 3.15Å; T121-F281 HydrophobicContact CG2-CD2 3.88Å; T121-F281 HydrophobicContact CG2-CE2 4.02Å; T121-F281 HydrophobicContact CG2-CG 4.18Å; T121-F281 HydrophobicContact CG2-CZ 4.44Å
122R90.6Very high92.5Very high217 Ų21767.5 Ų67.582%0.81932%0.323SS*.G310 helixtrans-67.1-10.8173.7-64.4-174.4-178.1-177.9-0.6113.6L124 D125R122-L124 PolarHBondContact O-N 3.4Å; R122-D125 WeakPolarHBondContact CB-OD2 3.45Å; R122-D125 WeakPolarHBondContact O-CB 3.16Å; R122-D125 VanDerWaalsContact O-CG 3.3Å; R122-D125 PolarHBondContact O-N 3Å
123R92Very high92.4Very high125 Ų12567.9 Ų67.947%0.47233%0.329SS..G310 helixtrans-63.7-25.3-180-64.8-66.1176.2179.1-7.9112.1T121 F281 D282 S285T121-R123 PolarHBondContact O-N 3.07Å; T121-R123 VanDerWaalsContact O-N 3.15Å; T121-R123 WeakPolarHBondContact OG1-CB 3.31Å; T121-R123 WeakPolarHBondContact OG1-CG 3.34Å; T121-R123 PolarHBondContact OG1-N 3.05Å; R123-F281 HydrophobicContact CB-CB 3.73Å; R123-F281 HydrophobicContact CG-CB 4.29Å; R123-D282 IonicContact NH1-OD1 3.22Å; R123-D282 PolarHBondContact NH1-OD1 3.32Å; R123-S285 WeakPolarHBondContact O-CB 3.39Å; R123-S285 PolarHBondContact O-OG 3.11Å
124L94Very high92.4Very high0 Ų073.9 Ų73.90%036%0.361CS..G310 helixtrans-94.36.3-179.5-56.2179.9000113.4T113 I117 T121 R122 A126 I127 A264 F281 I284T113-L124 HydrophobicContact CG2-CD1 4Å; I117-L124 HydrophobicContact CB-CD1 4.37Å; I117-L124 HydrophobicContact CG2-CD1 3.63Å; T121-L124 HydrophobicContact CG2-CD1 4.01Å; T121-L124 HydrophobicContact CG2-CG 3.97Å; T121-L124 PolarHBondContact O-N 3.15Å; R122-L124 PolarHBondContact O-N 3.4Å; L124-A126 PolarHBondContact O-N 3.2Å; L124-I127 HydrophobicContact CB-CD1 4.27Å; L124-I127 HydrophobicContact CD2-CD1 3.74Å; L124-I127 WeakPolarHBondContact O-CB 3.47Å; L124-I127 PolarHBondContact O-N 2.96Å; L124-A264 HydrophobicContact CD1-CB 3.96Å; L124-F281 HydrophobicContact CD1-CD1 4.11Å; L124-F281 HydrophobicContact CD1-CE1 4.22Å; L124-F281 HydrophobicContact CD2-CB 4.32Å; L124-F281 HydrophobicContact CD2-CD1 3.99Å; L124-F281 HydrophobicContact CG-CD1 4.28Å; L124-I284 HydrophobicContact CD2-CG2 4.21Å
125D93.8Very high92.3Very high86 Ų8672.9 Ų72.946%0.4635%0.351SS..THydrogen-bonded Turntrans-61.5-27.7-178.6-75.1-17.3000113.3R122 I127R122-D125 WeakPolarHBondContact CB-OD2 3.45Å; R122-D125 WeakPolarHBondContact O-CB 3.16Å; R122-D125 VanDerWaalsContact O-CG 3.3Å; R122-D125 PolarHBondContact O-N 3Å; D125-I127 PolarHBondContact O-N 3.44Å
126A94Very high92.1Very high50 Ų5067.2 Ų67.241%0.41333%0.327SS..THydrogen-bonded Turntrans-73-14.117800000113.8L124 Y288 V289L124-A126 PolarHBondContact O-N 3.2Å; A126-Y288 WeakPolarHBondContact O-CD1 3.36Å; A126-Y288 WeakPolarHBondContact O-CE1 3.5Å; A126-V289 HydrophobicContact CB-CG2 3.7Å
127I95.4Very high91.9Very high5 Ų565.4 Ų65.43%0.02633%0.334CS..  trans-79.9125.9-177.6-58.8-175.3000110.2L124 D125 F129 I132 I284 Y288L124-I127 HydrophobicContact CB-CD1 4.27Å; L124-I127 HydrophobicContact CD2-CD1 3.74Å; L124-I127 WeakPolarHBondContact O-CB 3.47Å; L124-I127 PolarHBondContact O-N 2.96Å; D125-I127 PolarHBondContact O-N 3.44Å; I127-F129 HydrophobicContact CB-CE1 4.29Å; I127-F129 HydrophobicContact CB-CZ 4.39Å; I127-F129 HydrophobicContact CG2-CD1 3.85Å; I127-F129 HydrophobicContact CG2-CE1 3.62Å; I127-F129 HydrophobicContact CG2-CZ 4.19Å; I127-I132 HydrophobicContact CG2-CD1 3.58Å; I127-I284 HydrophobicContact CD1-CG2 4.17Å; I127-Y288 HydrophobicContact CB-CD1 4.47Å; I127-Y288 HydrophobicContact CB-CG 4.47Å; I127-Y288 HydrophobicContact CG1-CD1 4.08Å; I127-Y288 HydrophobicContact CG1-CD2 4.24Å; I127-Y288 HydrophobicContact CG1-CG 3.88Å; I127-Y288 HydrophobicContact CG2-CD2 4.08Å; I127-Y288 HydrophobicContact CG2-CE2 3.99Å
128D95Very high91.8Very high51 Ų5167.5 Ų67.527%0.27335%0.345SS..  trans-103.896.8174.7-171.3-25.4000110N130 K131 I132 Y288D128-N130 PolarHBondContact O-N 2.92Å; D128-N130 WeakPolarHBondContact OD1-CB 3.49Å; D128-N130 PolarHBondContact OD1-N 2.95Å; D128-N130 VanDerWaalsContact OD1-N 3.09Å; D128-K131 HydrophobicContact CB-CB 4.22Å; D128-K131 HydrophobicContact CB-CD 4.05Å; D128-K131 HydrophobicContact CB-CG 4.17Å; D128-K131 PolarHBondContact O-N 3.35Å; D128-K131 PolarHBondContact OD1-N 2.93Å; D128-K131 WeakPolarHBondContact OD2-CD 3.41Å; D128-K131 WeakPolarHBondContact OD2-CE 3.48Å; D128-K131 WeakPolarHBondContact OD2-CG 3.25Å; D128-K131 IonicContact OD2-NZ 3.1Å; D128-K131 PolarHBondContact OD2-NZ 3.48Å; D128-I132 WeakPolarHBondContact O-CG1 3.15Å; D128-I132 PolarHBondContact O-N 3.46Å; D128-Y288 VanDerWaalsContact CB-OH 3.22Å; D128-Y288 WeakPolarHBondContact CB-OH 3.47Å; D128-Y288 PolarHBondContact N-OH 3.48Å
129F93.9Very high91.7Very high24 Ų2468.7 Ų68.711%0.10536%0.355CS..Hα-helixtrans-63.2-27.9-177.8-53.9-67.6000113.6I110 T113 A114 K118 I127 I132 S133I110-F129 HydrophobicContact CG2-CB 3.93Å; I110-F129 HydrophobicContact CG2-CD1 4.27Å; I110-F129 HydrophobicContact CG2-CG 4.46Å; T113-F129 HydrophobicContact CG2-CE1 3.67Å; T113-F129 HydrophobicContact CG2-CZ 4.03Å; A114-F129 HydrophobicContact CB-CD1 4.12Å; A114-F129 HydrophobicContact CB-CD2 3.58Å; A114-F129 HydrophobicContact CB-CE1 4.23Å; A114-F129 HydrophobicContact CB-CE2 3.69Å; A114-F129 HydrophobicContact CB-CG 3.81Å; A114-F129 HydrophobicContact CB-CZ 4.03Å; K118-F129 HydrophobicContact CB-CZ 4.37Å; K118-F129 HydrophobicContact CD-CE2 3.52Å; K118-F129 HydrophobicContact CD-CZ 3.94Å; I127-F129 HydrophobicContact CB-CE1 4.29Å; I127-F129 HydrophobicContact CB-CZ 4.39Å; I127-F129 HydrophobicContact CG2-CD1 3.85Å; I127-F129 HydrophobicContact CG2-CE1 3.62Å; I127-F129 HydrophobicContact CG2-CZ 4.19Å; F129-I132 PolarHBondContact O-N 3.28Å; F129-S133 WeakPolarHBondContact O-CB 3.42Å; F129-S133 PolarHBondContact O-N 3.06Å; F129-S133 PolarHBondContact O-OG 3.01Å
130N93.4Very high91.8Very high123 Ų12370.1 Ų70.166%0.65836%0.357SS*.Hα-helixtrans-69.3-42.5177.8-68.2-26000109.9D128 I132 S133 L134D128-N130 PolarHBondContact O-N 2.92Å; D128-N130 WeakPolarHBondContact OD1-CB 3.49Å; D128-N130 PolarHBondContact OD1-N 2.95Å; D128-N130 VanDerWaalsContact OD1-N 3.09Å; N130-I132 PolarHBondContact O-N 2.88Å; N130-S133 PolarHBondContact O-N 3.42Å; N130-L134 WeakPolarHBondContact O-CB 3.49Å; N130-L134 VanDerWaalsContact O-CG 3.32Å; N130-L134 WeakPolarHBondContact O-CG 3.33Å; N130-L134 PolarHBondContact O-N 3.38Å
131K93.3Very high91.8Very high66 Ų6668.4 Ų68.429%0.28735%0.348SS..Hα-helixtrans-64.8-38.8176.1-68.1-178.7-169.3161.50112.3D128 L134 L135 L297D128-K131 HydrophobicContact CB-CB 4.22Å; D128-K131 HydrophobicContact CB-CD 4.05Å; D128-K131 HydrophobicContact CB-CG 4.17Å; D128-K131 PolarHBondContact O-N 3.35Å; D128-K131 PolarHBondContact OD1-N 2.93Å; D128-K131 WeakPolarHBondContact OD2-CD 3.41Å; D128-K131 WeakPolarHBondContact OD2-CE 3.48Å; D128-K131 WeakPolarHBondContact OD2-CG 3.25Å; D128-K131 IonicContact OD2-NZ 3.1Å; D128-K131 PolarHBondContact OD2-NZ 3.48Å; K131-L134 PolarHBondContact O-N 2.8Å; K131-L135 WeakPolarHBondContact O-CB 3.48Å; K131-L135 PolarHBondContact O-N 2.95Å; K131-L297 HydrophobicContact CD-CB 3.9Å; K131-L297 WeakPolarHBondContact CD-OXT 3.28Å; K131-L297 WeakPolarHBondContact CE-OXT 3.29Å; K131-L297 PolarHBondContact NZ-OXT 3.26Å
132I93.9Very high91.6Very high0 Ų069.7 Ų69.70%035%0.354CS..Hα-helixtrans-61.3-48173.7-60.6172.9000110.3I110 I127 D128 F129 N130 L134 L135 L136 V257 S260 Y288I110-I132 HydrophobicContact CD1-CB 4.38Å; I110-I132 HydrophobicContact CD1-CG2 3.67Å; I110-I132 HydrophobicContact CG1-CG2 4.09Å; I127-I132 HydrophobicContact CG2-CD1 3.58Å; D128-I132 WeakPolarHBondContact O-CG1 3.15Å; D128-I132 PolarHBondContact O-N 3.46Å; F129-I132 PolarHBondContact O-N 3.28Å; N130-I132 PolarHBondContact O-N 2.88Å; I132-L134 PolarHBondContact O-N 3.35Å; I132-L135 PolarHBondContact O-N 2.82Å; I132-L136 HydrophobicContact CG2-CD1 3.92Å; I132-L136 WeakPolarHBondContact O-CG 3.16Å; I132-L136 PolarHBondContact O-N 2.91Å; I132-V257 HydrophobicContact CG1-CG1 3.78Å; I132-S260 WeakPolarHBondContact CD1-OG 3.31Å; I132-Y288 HydrophobicContact CD1-CD2 4.21Å; I132-Y288 HydrophobicContact CD1-CE2 3.8Å; I132-Y288 HydrophobicContact CG1-CE2 3.83Å
133S92Very high91.6Very high51 Ų5165.6 Ų65.636%0.35734%0.342SS..Hα-helixtrans-61.2-43.1-179.7-56.80000112F129 N130 L136 A137F129-S133 WeakPolarHBondContact O-CB 3.42Å; F129-S133 PolarHBondContact O-N 3.06Å; F129-S133 PolarHBondContact O-OG 3.01Å; N130-S133 PolarHBondContact O-N 3.42Å; S133-L136 PolarHBondContact O-N 2.85Å; S133-A137 WeakPolarHBondContact O-CB 3.32Å; S133-A137 PolarHBondContact O-N 3.41Å; S133-A137 VanDerWaalsContact O-N 3.11Å
134L91.8Very high91.6Very high126 Ų12667.4 Ų67.466%0.6635%0.353SS*.Hα-helixtrans-64.7-38.4175.9-72.1172000112.3N130 K131 I132 A137 D138N130-L134 WeakPolarHBondContact O-CB 3.49Å; N130-L134 VanDerWaalsContact O-CG 3.32Å; N130-L134 WeakPolarHBondContact O-CG 3.33Å; N130-L134 PolarHBondContact O-N 3.38Å; K131-L134 PolarHBondContact O-N 2.8Å; I132-L134 PolarHBondContact O-N 3.35Å; L134-A137 PolarHBondContact O-N 3.25Å; L134-D138 PolarHBondContact O-N 2.87Å
135L90.3Very high91.4Very high10 Ų1068.3 Ų68.35%0.05236%0.358CS..Hα-helixtrans-66.1-39.7177.4-173.964.1000111.9K131 I132 D138 K141 V257 V258 L295 L297K131-L135 WeakPolarHBondContact O-CB 3.48Å; K131-L135 PolarHBondContact O-N 2.95Å; I132-L135 PolarHBondContact O-N 2.82Å; L135-D138 PolarHBondContact O-N 3.48Å; L135-K141 HydrophobicContact CD1-CD 3.85Å; L135-V257 HydrophobicContact CD2-CB 4.18Å; L135-V257 HydrophobicContact CD2-CG1 3.79Å; L135-V258 HydrophobicContact CD2-CG2 4.07Å; L135-L295 HydrophobicContact CD2-CD1 4.07Å; L135-L297 HydrophobicContact CD2-CD1 4.41Å
136L88.2Confident91.2Very high24 Ų2464.6 Ų64.613%0.12634%0.339CS..Hα-helixtrans-70.6-29.7178.6-75.8166.5000113.8Q103 M106 I110 I132 S133 D138 I142 V258Q103-L136 PolarHBondContact NE2-O 3.3Å; M106-L136 HydrophobicContact CB-CD1 3.9Å; M106-L136 HydrophobicContact CG-CD1 3.41Å; M106-L136 VanDerWaalsContact CG-CD1 3.41Å; M106-L136 HydrophobicContact CG-CD2 4.46Å; I110-L136 HydrophobicContact CD1-CD1 3.59Å; I132-L136 HydrophobicContact CG2-CD1 3.92Å; I132-L136 WeakPolarHBondContact O-CG 3.16Å; I132-L136 PolarHBondContact O-N 2.91Å; S133-L136 PolarHBondContact O-N 2.85Å; L136-D138 VanDerWaalsContact C-N 3.28Å; L136-I142 WeakPolarHBondContact O-CD1 3.34Å; L136-V258 HydrophobicContact CD2-CG1 3.74Å; L136-V258 HydrophobicContact CD2-CG2 3.95Å; L136-V258 HydrophobicContact CG-CG2 4.27Å
137A88.5Confident91.1Very high78 Ų7867.7 Ų67.765%0.64535%0.348SS*.THydrogen-bonded Turntrans-80.9-6.9177.300000113.3S133 L134 D139S133-A137 WeakPolarHBondContact O-CB 3.32Å; S133-A137 PolarHBondContact O-N 3.41Å; S133-A137 VanDerWaalsContact O-N 3.11Å; L134-A137 PolarHBondContact O-N 3.25Å; A137-D139 PolarHBondContact O-N 3.4Å
138D90.2Very high91Very high43 Ų4367.9 Ų67.923%0.2335%0.351CS..  trans-90.480.3-178.2-167-29000110.9L134 L135 L136 E140 K141 I142L134-D138 PolarHBondContact O-N 2.87Å; L135-D138 PolarHBondContact O-N 3.48Å; L136-D138 VanDerWaalsContact C-N 3.28Å; D138-E140 PolarHBondContact O-N 3.4Å; D138-E140 PolarHBondContact OD1-N 3.32Å; D138-K141 HydrophobicContact CB-CB 4.12Å; D138-K141 HydrophobicContact CB-CD 4.22Å; D138-K141 HydrophobicContact CB-CG 4.32Å; D138-K141 VanDerWaalsContact CG-CG 3.47Å; D138-K141 PolarHBondContact O-N 3.4Å; D138-K141 VanDerWaalsContact O-N 3.13Å; D138-K141 PolarHBondContact OD1-N 3.16Å; D138-K141 WeakPolarHBondContact OD2-CD 3.49Å; D138-K141 WeakPolarHBondContact OD2-CE 3.43Å; D138-K141 VanDerWaalsContact OD2-CG 3.31Å; D138-K141 WeakPolarHBondContact OD2-CG 3.32Å; D138-K141 IonicContact OD2-NZ 3.42Å; D138-K141 PolarHBondContact OD2-NZ 2.82Å; D138-I142 PolarHBondContact O-N 3.27Å; D138-I142 VanDerWaalsContact O-N 3.09Å
139D87.6Confident91Very high89 Ų8965.6 Ų65.648%0.47634%0.339SS..Hα-helixtrans-57-30.2179.6-77.4-18000112.9A137 K143A137-D139 PolarHBondContact O-N 3.4Å; D139-K143 WeakPolarHBondContact O-CB 3.41Å; D139-K143 WeakPolarHBondContact O-CD 3.48Å; D139-K143 WeakPolarHBondContact O-CG 3.48Å; D139-K143 PolarHBondContact O-N 3.36Å
140E91.4Very high91.1Very high157 Ų15768.1 Ų68.173%0.73435%0.347SS*.Hα-helixtrans-69.3-43.7177.5-68.7-170.2169.500111.4D138 K143 K144D138-E140 PolarHBondContact O-N 3.4Å; D138-E140 PolarHBondContact OD1-N 3.32Å; E140-K143 PolarHBondContact O-N 3.37Å; E140-K144 VanDerWaalsContact O-CB 3.31Å; E140-K144 WeakPolarHBondContact O-CB 3.37Å; E140-K144 PolarHBondContact O-N 2.87Å
141K88.6Confident91.2Very high95 Ų9566.7 Ų66.741%0.41335%0.347SS..Hα-helixtrans-62.1-42.7173.3-79-175.4-171.6125.40112L135 D138 K144 L145L135-K141 HydrophobicContact CD1-CD 3.85Å; D138-K141 HydrophobicContact CB-CB 4.12Å; D138-K141 HydrophobicContact CB-CD 4.22Å; D138-K141 HydrophobicContact CB-CG 4.32Å; D138-K141 VanDerWaalsContact CG-CG 3.47Å; D138-K141 PolarHBondContact O-N 3.4Å; D138-K141 VanDerWaalsContact O-N 3.13Å; D138-K141 PolarHBondContact OD1-N 3.16Å; D138-K141 WeakPolarHBondContact OD2-CD 3.49Å; D138-K141 WeakPolarHBondContact OD2-CE 3.43Å; D138-K141 VanDerWaalsContact OD2-CG 3.31Å; D138-K141 WeakPolarHBondContact OD2-CG 3.32Å; D138-K141 IonicContact OD2-NZ 3.42Å; D138-K141 PolarHBondContact OD2-NZ 2.82Å; K141-K144 PolarHBondContact O-N 3.2Å; K141-L145 WeakPolarHBondContact O-CB 3.47Å; K141-L145 PolarHBondContact O-N 2.66Å
142I85.8Confident91.3Very high43 Ų4363.9 Ų63.922%0.22134%0.336CS..Hα-helixtrans-62.7-46.1178.1-66.3171.8000110.4L136 D138 K144 L145 A146L136-I142 WeakPolarHBondContact O-CD1 3.34Å; D138-I142 PolarHBondContact O-N 3.27Å; D138-I142 VanDerWaalsContact O-N 3.09Å; I142-K144 PolarHBondContact O-N 3Å; I142-L145 WeakPolarHBondContact O-CB 3.42Å; I142-L145 PolarHBondContact O-N 3.04Å; I142-A146 PolarHBondContact O-N 3.13Å
143K90.3Very high91.4Very high132 Ų13264.1 Ų64.157%0.57434%0.337SS*.Hα-helixtrans-62-42.3175.3-74.8168.8-175169.80112.3D139 E140 L145 A146 L147D139-K143 WeakPolarHBondContact O-CB 3.41Å; D139-K143 WeakPolarHBondContact O-CD 3.48Å; D139-K143 WeakPolarHBondContact O-CG 3.48Å; D139-K143 PolarHBondContact O-N 3.36Å; E140-K143 PolarHBondContact O-N 3.37Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.25Å; K143-A146 WeakPolarHBondContact O-CB 3.46Å; K143-A146 PolarHBondContact O-N 2.94Å; K143-L147 WeakPolarHBondContact O-CG 3.44Å; K143-L147 PolarHBondContact O-N 2.87Å
144K92.5Very high91.6Very high162 Ų16265.3 Ų65.370%0.70434%0.343SS*.Hα-helixtrans-63.1-39176.9-174.6177.9-1791790111.5E140 K141 I142 G148E140-K144 VanDerWaalsContact O-CB 3.31Å; E140-K144 WeakPolarHBondContact O-CB 3.37Å; E140-K144 PolarHBondContact O-N 2.87Å; K141-K144 PolarHBondContact O-N 3.2Å; I142-K144 PolarHBondContact O-N 3Å; K144-G148 PolarHBondContact O-N 3.29Å
145L90.1Very high91.8Very high19 Ų1960.1 Ų60.110%0.09932%0.316CS..Hα-helixtrans-62.3-46.3173.6-175.463.4000110.7K141 I142 K143 G148 F149 N250 Y251 H254K141-L145 WeakPolarHBondContact O-CB 3.47Å; K141-L145 PolarHBondContact O-N 2.66Å; I142-L145 WeakPolarHBondContact O-CB 3.42Å; I142-L145 PolarHBondContact O-N 3.04Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.25Å; L145-G148 PolarHBondContact O-N 3.36Å; L145-F149 WeakPolarHBondContact O-CD1 3.46Å; L145-F149 PolarHBondContact O-N 2.93Å; L145-N250 WeakPolarHBondContact CD1-ND2 3.43Å; L145-Y251 HydrophobicContact CD1-CD2 3.79Å; L145-Y251 HydrophobicContact CD1-CG 4.36Å; L145-Y251 HydrophobicContact CD2-CD2 3.64Å; L145-Y251 HydrophobicContact CD2-CE2 3.89Å; L145-Y251 HydrophobicContact CD2-CG 4.48Å; L145-Y251 HydrophobicContact CG-CD2 3.7Å; L145-Y251 HydrophobicContact CG-CE2 4.23Å; L145-H254 HydrophobicContact CD2-CB 4.03Å
146A89.1Confident92.2Very high8 Ų859.6 Ų59.67%0.06631%0.314CS..Hα-helixtrans-55.8-51.7176.200000112.9F95 I142 K143 G148 F149 R150F95-A146 HydrophobicContact CD1-CB 4.3Å; F95-A146 HydrophobicContact CE1-CB 3.88Å; I142-A146 PolarHBondContact O-N 3.13Å; K143-A146 WeakPolarHBondContact O-CB 3.46Å; K143-A146 PolarHBondContact O-N 2.94Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 2.92Å; A146-F149 HydrophobicContact CB-CE1 4.3Å; A146-F149 HydrophobicContact CB-CZ 4.34Å; A146-F149 WeakPolarHBondContact O-CD1 3.49Å; A146-F149 WeakPolarHBondContact O-CE1 3.45Å; A146-R150 WeakPolarHBondContact O-CG 3.06Å; A146-R150 PolarHBondContact O-N 3.4Å
147L92.5Very high92.7Very high116 Ų11658.5 Ų58.561%0.60731%0.308SS*.Hα-helixtrans-65.7-34179.4-67.7172.2000112.3K143 R150 S151K143-L147 WeakPolarHBondContact O-CG 3.44Å; K143-L147 PolarHBondContact O-N 2.87Å; L147-R150 PolarHBondContact O-N 3.46Å; L147-S151 PolarHBondContact O-N 2.75Å; L147-S151 VanDerWaalsContact O-N 3.1Å
148G93.5Very high93.2Very high8 Ų854.8 Ų54.88%0.08228%0.277CS..Hα-helixtrans-61.8-43.8-177.500000113.5K144 L145 A146 S151 Q247K144-G148 PolarHBondContact O-N 3.29Å; L145-G148 PolarHBondContact O-N 3.36Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 2.92Å; G148-S151 PolarHBondContact O-OG 2.99Å; G148-Q247 VanDerWaalsContact C-CD 3.47Å; G148-Q247 VanDerWaalsContact O-CG 3.25Å; G148-Q247 WeakPolarHBondContact O-CG 3.46Å; G148-Q247 PolarHBondContact O-NE2 3.31Å
149F94.1Very high93.6Very high4 Ų452.7 Ų52.72%0.01827%0.266CS..Hα-helixtrans-78-32.8176.561.1-105.8000112.5F95 L145 A146 S151 V152 M153 D155 P195 F196 Y251F95-F149 AromaticContact CD1-CZ 3.93Å; F95-F149 HydrophobicContact CD1-CZ 3.93Å; F95-F149 HydrophobicContact CE1-CE1 4Å; F95-F149 AromaticContact CE1-CZ 3.77Å; F95-F149 HydrophobicContact CE1-CZ 3.77Å; F95-F149 HydrophobicContact CE2-CZ 4.47Å; F95-F149 HydrophobicContact CG-CZ 4.35Å; F95-F149 HydrophobicContact CZ-CE1 4.05Å; F95-F149 HydrophobicContact CZ-CZ 4.05Å; L145-F149 WeakPolarHBondContact O-CD1 3.46Å; L145-F149 PolarHBondContact O-N 2.93Å; A146-F149 HydrophobicContact CB-CE1 4.3Å; A146-F149 HydrophobicContact CB-CZ 4.34Å; A146-F149 WeakPolarHBondContact O-CD1 3.49Å; A146-F149 WeakPolarHBondContact O-CE1 3.45Å; F149-S151 PolarHBondContact O-N 3.4Å; F149-V152 WeakPolarHBondContact O-CB 3.49Å; F149-V152 PolarHBondContact O-N 3.13Å; F149-M153 PolarHBondContact O-N 3.22Å; F149-D155 WeakPolarHBondContact CE2-OD1 3.49Å; F149-P195 HydrophobicContact CB-CB 4.26Å; F149-P195 HydrophobicContact CD1-CB 3.6Å; F149-P195 HydrophobicContact CD1-CG 4.12Å; F149-P195 HydrophobicContact CD2-CB 3.67Å; F149-P195 HydrophobicContact CE1-CB 3.6Å; F149-P195 HydrophobicContact CE1-CG 3.64Å; F149-P195 HydrophobicContact CE2-CB 3.74Å; F149-P195 HydrophobicContact CE2-CG 4.22Å; F149-P195 HydrophobicContact CG-CB 3.61Å; F149-P195 HydrophobicContact CZ-CB 3.72Å; F149-P195 HydrophobicContact CZ-CG 3.75Å; F149-F196 HydrophobicContact CB-CD1 4.29Å; F149-F196 HydrophobicContact CB-CE1 3.86Å; F149-Y251 HydrophobicContact CD1-CD2 4.44Å; F149-Y251 HydrophobicContact CE1-CE2 4.41Å
150R95.7Very high94Very high76 Ų7648.8 Ų48.829%0.28725%0.246SC..Hα-helixtrans-63.4-24.4176.6-73.9175.5178.2157.3-3.6113.3E96 A146 L147 V152 M153 D155E96-R150 IonicContact OE1-CZ 2.76Å; E96-R150 IonicContact OE1-NH1 2.79Å; E96-R150 PolarHBondContact OE1-NH1 3.21Å; E96-R150 IonicContact OE1-NH2 3.51Å; E96-R150 PolarHBondContact OE1-NH2 2.88Å; E96-R150 IonicContact OE2-NH2 3.64Å; A146-R150 WeakPolarHBondContact O-CG 3.06Å; A146-R150 PolarHBondContact O-N 3.4Å; L147-R150 PolarHBondContact O-N 3.46Å; R150-V152 VanDerWaalsContact C-N 3.26Å; R150-V152 PolarHBondContact O-N 3.4Å; R150-M153 WeakPolarHBondContact CA-O 3.23Å; R150-D155 WeakPolarHBondContact CG-OD1 3.45Å; R150-D155 IonicContact CZ-OD1 3.22Å; R150-D155 IonicContact CZ-OD2 3.78Å; R150-D155 IonicContact NE-OD1 2.74Å; R150-D155 PolarHBondContact NE-OD1 3.21Å; R150-D155 IonicContact NE-OD2 3.61Å; R150-D155 PolarHBondContact NE-OD2 2.91Å; R150-D155 IonicContact NH2-OD1 3.59Å; R150-D155 IonicContact NH2-OD2 2.78Å; R150-D155 PolarHBondContact NH2-OD2 3.34Å
151S95.1Very high94.2Very high93 Ų9344 Ų4465%0.6523%0.226SC*.THydrogen-bonded Turntrans-73.4-17.3172.276.10000113.5L147 G148 F149L147-S151 PolarHBondContact O-N 2.75Å; L147-S151 VanDerWaalsContact O-N 3.1Å; G148-S151 PolarHBondContact O-OG 2.99Å; F149-S151 PolarHBondContact O-N 3.4Å
152V96.8Very high94.6Very high8 Ų839.5 Ų39.55%0.04821%0.206CC..THydrogen-bonded Turntrans-92.2-44.6176175.50000110.2F149 R150 F196 G239 E243 A244 Q247F149-V152 WeakPolarHBondContact O-CB 3.49Å; F149-V152 PolarHBondContact O-N 3.13Å; R150-V152 VanDerWaalsContact C-N 3.26Å; R150-V152 PolarHBondContact O-N 3.4Å; V152-F196 HydrophobicContact CB-CE1 3.95Å; V152-F196 HydrophobicContact CG1-CE1 3.9Å; V152-F196 HydrophobicContact CG1-CZ 4.18Å; V152-G239 PolarHBondContact O-N 3.17Å; V152-E243 HydrophobicContact CG2-CB 4.24Å; V152-A244 HydrophobicContact CG1-CB 3.65Å; V152-Q247 HydrophobicContact CG2-CB 4.45Å; V152-Q247 HydrophobicContact CG2-CG 3.82Å
153M95.2Very high95.1Very high4 Ų438.2 Ų38.22%0.0220%0.201CC..SBendtrans-157.8143.5-174.9-175.3-174.7-72.700109.2L82 F149 R150 V156 F196 L228 I238L82-M153 HydrophobicContact CD1-CE 4.12Å; L82-M153 HydrophobicContact CD1-CG 4.09Å; L82-M153 HydrophobicContact CD1-SD 3.74Å; L82-M153 HydrophobicContact CD2-CG 4.04Å; L82-M153 HydrophobicContact CD2-SD 4.49Å; F149-M153 PolarHBondContact O-N 3.22Å; R150-M153 WeakPolarHBondContact CA-O 3.23Å; M153-V156 HydrophobicContact CG-CG1 4.35Å; M153-V156 HydrophobicContact SD-CG1 3.62Å; M153-F196 HydrophobicContact CB-CD1 4.24Å; M153-F196 HydrophobicContact SD-CB 3.93Å; M153-F196 HydrophobicContact SD-CG 4.49Å; M153-L228 HydrophobicContact CE-CD2 3.28Å; M153-L228 HydrophobicContact CE-CG 4.28Å; M153-L228 HydrophobicContact SD-CD2 4.25Å; M153-I238 HydrophobicContact CB-CG2 4.47Å; M153-I238 HydrophobicContact CE-CB 3.92Å; M153-I238 HydrophobicContact CE-CD1 3.57Å; M153-I238 HydrophobicContact CE-CG1 4.36Å; M153-I238 HydrophobicContact CE-CG2 3.52Å; M153-I238 HydrophobicContact CG-CG2 4.1Å
154P96Very high95.3Very high77 Ų7732.1 Ų32.150%0.518%0.175SC..  trans-54.9163.1169.6-22.833.5000112.2L82 V156L82-P154 HydrophobicContact CD2-CB 4.47Å; L82-P154 HydrophobicContact CD2-CG 4.48Å; P154-V156 PolarHBondContact O-N 2.98Å
155D97.3Very high95.4Very high16 Ų1627.8 Ų27.89%0.08616%0.16CC..  trans-54.7133.7173.6-66.52.3000109.7R89 F149 R150 Q193 G194R89-D155 VanDerWaalsContact CZ-O 3.22Å; R89-D155 PolarHBondContact NH1-O 3.43Å; R89-D155 PolarHBondContact NH2-O 2.81Å; F149-D155 WeakPolarHBondContact CE2-OD1 3.49Å; R150-D155 WeakPolarHBondContact CG-OD1 3.45Å; R150-D155 IonicContact CZ-OD1 3.22Å; R150-D155 IonicContact CZ-OD2 3.78Å; R150-D155 IonicContact NE-OD1 2.74Å; R150-D155 PolarHBondContact NE-OD1 3.21Å; R150-D155 IonicContact NE-OD2 3.61Å; R150-D155 PolarHBondContact NE-OD2 2.91Å; R150-D155 IonicContact NH2-OD1 3.59Å; R150-D155 IonicContact NH2-OD2 2.78Å; R150-D155 PolarHBondContact NH2-OD2 3.34Å; D155-Q193 HydrophobicContact CB-CB 4.14Å; D155-G194 WeakPolarHBondContact CA-O 3.45Å
156V98.2Very high95.7Very high0 Ų027.1 Ų27.10%016%0.156CC..EExtended strand (participates in β ladder)trans-106.5167.9175-65.10000109.3H78 S81 L82 M153 P154 V158 G194 F196H78-V156 HydrophobicContact CB-CB 4.3Å; H78-V156 HydrophobicContact CB-CG1 4.12Å; S81-V156 WeakPolarHBondContact OG-CB 3.46Å; L82-V156 HydrophobicContact CD1-CG1 4.3Å; L82-V156 HydrophobicContact CD2-CG1 4.02Å; L82-V156 HydrophobicContact CG-CG1 4.03Å; M153-V156 HydrophobicContact CG-CG1 4.35Å; M153-V156 HydrophobicContact SD-CG1 3.62Å; P154-V156 PolarHBondContact O-N 2.98Å; V156-V158 HydrophobicContact CG2-CG1 3.94Å; V156-V158 PolarHBondContact O-N 2.87Å; V156-G194 PolarHBondContact N-O 3.07Å; V156-G194 PolarHBondContact O-N 2.93Å; V156-F196 HydrophobicContact CG2-CB 4.14Å
157I98.5Very high96.1Very high0 Ų026.8 Ų26.80%015%0.153CC..EExtended strand (participates in β ladder)trans-72.8127.3169.6-162.3169.7000107.6L16 F17 L77 H78 W80 W88 C191L16-I157 HydrophobicContact CD2-CD1 4.31Å; F17-I157 HydrophobicContact CE1-CD1 4.03Å; F17-I157 HydrophobicContact CZ-CD1 4.09Å; L77-I157 HydrophobicContact CD1-CG2 3.62Å; L77-I157 HydrophobicContact CD2-CG2 4.15Å; L77-I157 HydrophobicContact CG-CG2 3.66Å; H78-I157 PolarHBondContact CD2-O 3.45Å; H78-I157 VanDerWaalsContact CD2-O 3.3Å; H78-I157 PolarHBondContact NE2-O 3.25Å; W80-I157 HydrophobicContact CE3-CG2 4.3Å; W80-I157 HydrophobicContact CZ3-CD1 4.2Å; W80-I157 HydrophobicContact CZ3-CG2 4.11Å; W88-I157 HydrophobicContact CD2-CB 4.25Å; W88-I157 HydrophobicContact CE3-CB 3.8Å; W88-I157 HydrophobicContact CE3-CD1 4.03Å; W88-I157 HydrophobicContact CE3-CG1 3.95Å; W88-I157 HydrophobicContact CH2-CB 3.93Å; W88-I157 HydrophobicContact CZ2-CB 4.32Å; W88-I157 HydrophobicContact CZ3-CB 3.62Å; W88-I157 HydrophobicContact CZ3-CG1 3.99Å; I157-C191 VanDerWaalsContact CG1-SG 3.51Å
158V98.5Very high96.4Very high0 Ų021.9 Ų21.90%013%0.127CC..EExtended strand (participates in β ladder)trans-119.9146.2176.8-58.80000109.6V156 G160 C191 H192 P195 E198 D199V156-V158 HydrophobicContact CG2-CG1 3.94Å; V156-V158 PolarHBondContact O-N 2.87Å; V158-G160 VanDerWaalsContact C-N 3.32Å; V158-C191 VanDerWaalsContact O-CA 3.23Å; V158-C191 WeakPolarHBondContact O-CA 3.47Å; V158-C191 PolarHBondContact O-SG 2.83Å; V158-H192 WeakPolarHBondContact CG2-CE1 3.33Å; V158-H192 WeakPolarHBondContact CG2-O 3.49Å; V158-H192 PolarHBondContact N-O 2.95Å; V158-H192 PolarHBondContact O-N 2.84Å; V158-H192 VanDerWaalsContact O-N 3.16Å; V158-P195 WeakPolarHBondContact CG1-O 3.4Å; V158-E198 HydrophobicContact CG1-CB 4.29Å; V158-D199 WeakPolarHBondContact CA-OD2 3.35Å
159H98.4Very high96.6Very high0 Ų021.5 Ų21.50%012%0.123CC..  trans-65.2-39173.5-174.8-76.4000111.4D161 L162 I185 I186 D187 W188 I190 C191 D199H159-D161 PolarHBondContact CE1-O 2.87Å; H159-D161 PolarHBondContact ND1-N 3.5Å; H159-D161 PolarHBondContact ND1-O 3.37Å; H159-D161 PolarHBondContact O-N 3.41Å; H159-D161 VanDerWaalsContact O-N 3.15Å; H159-L162 HydrophobicContact CB-CB 4.17Å; H159-L162 HydrophobicContact CB-CD1 4.23Å; H159-L162 PolarHBondContact ND1-N 3.46Å; H159-I185 VanDerWaalsContact CD2-CG2 3.45Å; H159-I185 WeakPolarHBondContact CD2-CG2 3.33Å; H159-I186 PolarHBondContact NE2-O 3.24Å; H159-D187 PolarHBondContact CE1-O 3.08Å; H159-D187 PolarHBondContact NE2-O 3.26Å; H159-W188 HydrophobicContact CB-CE3 4.07Å; H159-W188 HydrophobicContact CB-CH2 4.34Å; H159-W188 HydrophobicContact CB-CZ3 3.73Å; H159-W188 AromaticContact CD2-CD2 3.57Å; H159-W188 AromaticContact CD2-CE2 3.75Å; H159-W188 AromaticContact CD2-CE3 3.51Å; H159-W188 AromaticContact CD2-CH2 3.86Å; H159-W188 AromaticContact CD2-CZ2 3.92Å; H159-W188 AromaticContact CD2-CZ3 3.66Å; H159-I190 CarbonylContact O-C 3.58Å; H159-C191 WeakPolarHBondContact O-CA 3.23Å; H159-C191 PolarHBondContact O-N 3.27Å; H159-D199 WeakPolarHBondContact CB-OD1 3.29Å; H159-D199 WeakPolarHBondContact CB-OD2 3.29Å; H159-D199 PolarHBondContact N-OD1 3.45Å; H159-D199 PolarHBondContact N-OD2 2.82Å
160G96.3Very high96.8Very high6 Ų622.5 Ų22.56%0.06213%0.131CC..SBendtrans83.8-33.1176.700000114.2V158 I190 D199 N202V158-G160 VanDerWaalsContact C-N 3.32Å; G160-I190 VanDerWaalsContact C-CD1 3.44Å; G160-I190 WeakPolarHBondContact O-CD1 3.37Å; G160-D199 PolarHBondContact N-OD1 2.83Å; G160-N202 PolarHBondContact O-ND2 2.93Å
161D95.4Very high96.8Very high57 Ų5720.9 Ų20.931%0.30513%0.13SC..  trans-120.446.6170.6-16820000113.1H159 C163 N166 I190H159-D161 PolarHBondContact CE1-O 2.87Å; H159-D161 PolarHBondContact ND1-N 3.5Å; H159-D161 PolarHBondContact ND1-O 3.37Å; H159-D161 PolarHBondContact O-N 3.41Å; H159-D161 VanDerWaalsContact O-N 3.15Å; D161-C163 PolarHBondContact O-N 3.48Å; D161-C163 PolarHBondContact O-SG 3.21Å; D161-C163 VanDerWaalsContact O-SG 3.4Å; D161-C163 PolarHBondContact OD1-SG 2.92Å; D161-C163 VanDerWaalsContact OD1-SG 3.4Å; D161-N166 PolarHBondContact O-ND2 3.41Å; D161-N166 PolarHBondContact OD2-ND2 3.36Å; D161-I190 HydrophobicContact CB-CD1 3.6Å; D161-I190 HydrophobicContact CB-CG1 3.83Å
162L97.5Very high96.8Very high1 Ų119.1 Ų19.11%0.00511%0.113CC..  trans-75.786.9-176.7-163.274.5000112.3V70 L74 H159 L167 I185 D199 N202 L203V70-L162 HydrophobicContact CG1-CD2 3.86Å; L74-L162 HydrophobicContact CD1-CD2 3.76Å; L74-L162 HydrophobicContact CD2-CD2 3.94Å; L74-L162 HydrophobicContact CG-CD2 4.08Å; H159-L162 HydrophobicContact CB-CB 4.17Å; H159-L162 HydrophobicContact CB-CD1 4.23Å; H159-L162 PolarHBondContact ND1-N 3.46Å; L162-L167 HydrophobicContact CD1-CD2 3.82Å; L162-L167 HydrophobicContact CG-CD2 4.47Å; L162-I185 HydrophobicContact CD1-CG2 3.8Å; L162-D199 HydrophobicContact CB-CB 3.92Å; L162-D199 HydrophobicContact CD2-CB 3.83Å; L162-N202 HydrophobicContact CB-CB 4.44Å; L162-N202 CarbonylContact O-C 3.57Å; L162-N202 VanDerWaalsContact O-C 3.3Å; L162-N202 WeakPolarHBondContact O-CB 3.46Å; L162-L203 VanDerWaalsContact O-CA 3.31Å; L162-L203 WeakPolarHBondContact O-CA 3.19Å; L162-L203 PolarHBondContact O-N 2.87Å
163C95.3Very high96.6Very high16 Ų1628.2 Ų28.211%0.10816%0.155CC..  trans-122.1168.3177.356.20000112D161 N165 N166 S207D161-C163 PolarHBondContact O-N 3.48Å; D161-C163 PolarHBondContact O-SG 3.21Å; D161-C163 VanDerWaalsContact O-SG 3.4Å; D161-C163 PolarHBondContact OD1-SG 2.92Å; D161-C163 VanDerWaalsContact OD1-SG 3.4Å; C163-N165 PolarHBondContact O-N 3.41Å; C163-N165 VanDerWaalsContact O-N 3.09Å; C163-N165 PolarHBondContact SG-ND2 3.47Å; C163-N165 PolarHBondContact SG-OD1 3.5Å; C163-N166 PolarHBondContact O-N 2.85Å; C163-S207 WeakPolarHBondContact CA-OG 3.38Å
164S95.1Very high96.5Very high3 Ų337.6 Ų37.62%0.02120%0.195CC..G310 helixtrans-60.6-23.5-171.749.80000115.6N166 S207S164-N166 VanDerWaalsContact C-N 3.31Å; S164-S207 PolarHBondContact N-OG 3.39Å
165N94Very high96.3Very high72 Ų7237.9 Ų37.939%0.38520%0.196SC..G310 helixtrans-74.5-21.6174.647.3-76.5000112.7H55 C163 L167H55-N165 PolarHBondContact CE1-O 2.89Å; H55-N165 PolarHBondContact ND1-O 3.3Å; C163-N165 PolarHBondContact O-N 3.41Å; C163-N165 VanDerWaalsContact O-N 3.09Å; C163-N165 PolarHBondContact SG-ND2 3.47Å; C163-N165 PolarHBondContact SG-OD1 3.5Å; N165-L167 VanDerWaalsContact C-N 3.26Å
166N97Very high96.1Very high5 Ų539.1 Ų39.13%0.02721%0.212CC..G310 helixtrans-93.39.5178.9-65.7-11.3000111.9D161 C163 S164 I185 I186D161-N166 PolarHBondContact O-ND2 3.41Å; D161-N166 PolarHBondContact OD2-ND2 3.36Å; C163-N166 PolarHBondContact O-N 2.85Å; S164-N166 VanDerWaalsContact C-N 3.31Å; N166-I185 WeakPolarHBondContact O-CA 3.46Å; N166-I186 WeakPolarHBondContact CB-O 3.49Å; N166-I186 PolarHBondContact O-N 3.48Å; N166-I186 VanDerWaalsContact O-N 3.13Å
167L98.1Very high95.9Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-118.6122178.3-59.7176000110.2H55 L62 V70 L162 N165 F169 L182 I185 L203H55-L167 PolarHBondContact ND1-O 2.99Å; L62-L167 HydrophobicContact CD1-CD1 4Å; L62-L167 HydrophobicContact CD2-CD1 4.37Å; V70-L167 HydrophobicContact CG2-CD1 3.73Å; V70-L167 HydrophobicContact CG2-CD2 4.28Å; L162-L167 HydrophobicContact CD1-CD2 3.82Å; L162-L167 HydrophobicContact CG-CD2 4.47Å; N165-L167 VanDerWaalsContact C-N 3.26Å; L167-F169 HydrophobicContact CB-CE2 3.73Å; L167-F169 HydrophobicContact CB-CZ 4.02Å; L167-F169 HydrophobicContact CD1-CE2 4.46Å; L167-F169 HydrophobicContact CD1-CZ 4.16Å; L167-L182 HydrophobicContact CB-CD1 3.88Å; L167-L182 HydrophobicContact CD2-CD1 3.87Å; L167-L182 HydrophobicContact CD2-CD2 4.29Å; L167-L182 HydrophobicContact CG-CD1 4.42Å; L167-I185 HydrophobicContact CD2-CG1 3.98Å; L167-L203 HydrophobicContact CD1-CD1 3.71Å
168I98.1Very high95.8Very high14 Ų1443.5 Ų43.57%0.07224%0.238CC..EExtended strand (participates in β ladder)trans-107.9121.2174.3-55.2179.5000108.3M49 H55 L182 I183 A184 I186M49-I168 HydrophobicContact CB-CD1 3.97Å; M49-I168 HydrophobicContact CB-CG2 4.28Å; M49-I168 HydrophobicContact CG-CD1 4.14Å; H55-I168 VanDerWaalsContact CE1-CG1 3.48Å; H55-I168 WeakPolarHBondContact CE1-CG1 3.23Å; I168-L182 WeakPolarHBondContact O-CD1 3.39Å; I168-I183 HydrophobicContact CB-CG1 4.26Å; I168-I183 HydrophobicContact CG2-CD1 3.95Å; I168-I183 HydrophobicContact CG2-CG1 3.78Å; I168-I183 VanDerWaalsContact O-CG1 3.31Å; I168-I183 WeakPolarHBondContact O-CG1 3.35Å; I168-I183 PolarHBondContact O-N 2.96Å; I168-A184 HydrophobicContact CB-CB 4.19Å; I168-A184 HydrophobicContact CD1-CB 4.28Å; I168-A184 PolarHBondContact N-O 3.21Å; I168-A184 PolarHBondContact O-N 2.92Å; I168-I186 HydrophobicContact CD1-CD1 4.1Å; I168-I186 HydrophobicContact CD1-CG2 4.13Å; I168-I186 HydrophobicContact CG1-CD1 4.44Å
169F98.3Very high95.8Very high0 Ų044.3 Ų44.30%024%0.243CC..EExtended strand (participates in β ladder)trans-102155.7175.9-61.2-86.2000110.6G53 K54 Q56 L62 Q66 V70 L167 A178 N181 L182G53-F169 CarbonylContact C-O 3.6Å; G53-F169 VanDerWaalsContact CA-O 3.27Å; G53-F169 WeakPolarHBondContact CA-O 3.13Å; K54-F169 PolarHBondContact N-O 3.25Å; K54-F169 PolarHBondContact O-N 2.8Å; Q56-F169 HydrophobicContact CB-CE2 4.42Å; L62-F169 HydrophobicContact CD2-CE2 3.69Å; L62-F169 HydrophobicContact CD2-CZ 3.76Å; Q66-F169 HydrophobicContact CB-CE1 3.73Å; Q66-F169 HydrophobicContact CB-CZ 3.82Å; Q66-F169 HydrophobicContact CG-CD1 3.85Å; Q66-F169 HydrophobicContact CG-CE1 3.51Å; Q66-F169 HydrophobicContact CG-CE2 4.4Å; Q66-F169 HydrophobicContact CG-CG 4.44Å; Q66-F169 HydrophobicContact CG-CZ 3.82Å; V70-F169 HydrophobicContact CG2-CZ 4.36Å; L167-F169 HydrophobicContact CB-CE2 3.73Å; L167-F169 HydrophobicContact CB-CZ 4.02Å; L167-F169 HydrophobicContact CD1-CE2 4.46Å; L167-F169 HydrophobicContact CD1-CZ 4.16Å; F169-A178 HydrophobicContact CB-CB 4.11Å; F169-N181 CarbonylContact C-O 3.5Å; F169-N181 WeakPolarHBondContact CA-O 3.4Å; F169-N181 WeakPolarHBondContact CB-O 3.3Å; F169-L182 HydrophobicContact CD1-CB 4.25Å; F169-L182 HydrophobicContact CD1-CD1 4.12Å; F169-L182 HydrophobicContact CE1-CB 4.14Å; F169-L182 HydrophobicContact CE1-CD1 3.79Å; F169-L182 HydrophobicContact CE2-CD1 4.46Å; F169-L182 HydrophobicContact CZ-CD1 3.98Å
170S97.9Very high95.7Very high25 Ų2551.1 Ų51.118%0.17527%0.269CS..EExtended strand (participates in β ladder)trans-62.9153.1172.285.10000111Y52 S179 N181Y52-S170 CarbonylContact O-C 3.47Å; Y52-S170 WeakPolarHBondContact O-CA 3.25Å; S170-S179 WeakPolarHBondContact O-CB 2.96Å; S170-S179 PolarHBondContact O-N 3.21Å; S170-S179 PolarHBondContact O-OG 3.44Å; S170-S179 PolarHBondContact OG-OG 3.32Å; S170-N181 PolarHBondContact N-O 3.45Å
171T96.5Very high95.7Very high42 Ų4254.1 Ų54.126%0.25828%0.284SS..EExtended strand (participates in β ladder)trans-72.7134.2171.1-54.90000110.4Y52 K54 E173Y52-T171 PolarHBondContact O-N 3.28Å; Y52-T171 PolarHBondContact O-OG1 3.5Å; K54-T171 HydrophobicContact CG-CG2 4.35Å; K54-T171 WeakPolarHBondContact CG-OG1 3.2Å; T171-E173 PolarHBondContact O-N 2.89Å
172D94.3Very high95.8Very high56 Ų5651.9 Ų51.930%0.29927%0.272SS..  trans-76.7114.4168.3177.2-79.9000109.2K174 T175 G176 N177D172-K174 PolarHBondContact O-N 3.18Å; D172-K174 VanDerWaalsContact O-N 3.13Å; D172-K174 PolarHBondContact OD1-N 3.29Å; D172-K174 VanDerWaalsContact OD1-N 3.12Å; D172-T175 PolarHBondContact O-N 3.49Å; D172-T175 WeakPolarHBondContact OD1-CB 3.33Å; D172-T175 WeakPolarHBondContact OD1-CG2 3.31Å; D172-T175 PolarHBondContact OD1-N 3.21Å; D172-T175 PolarHBondContact OD1-OG1 3.49Å; D172-G176 WeakPolarHBondContact O-CA 3.38Å; D172-G176 PolarHBondContact O-N 3.21Å; D172-N177 WeakPolarHBondContact CB-O 3.27Å; D172-N177 PolarHBondContact N-O 3.18Å
173E91.7Very high95.9Very high199 Ų19953.9 Ų53.993%0.9328%0.282SS*.THydrogen-bonded Turntrans-59.8-26.5-173.6-64.6179.217800113.9T171T171-E173 PolarHBondContact O-N 2.89Å
174K93.3Very high96Very high200 Ų20053.1 Ų53.187%0.8728%0.277SS*.THydrogen-bonded Turntrans-84.7-33.4-176.6-65.4-178.9-179.8177.90112.4D172D172-K174 PolarHBondContact O-N 3.18Å; D172-K174 VanDerWaalsContact O-N 3.13Å; D172-K174 PolarHBondContact OD1-N 3.29Å; D172-K174 VanDerWaalsContact OD1-N 3.12Å
175T93.2Very high96.1Very high84 Ų8453 Ų5352%0.51528%0.276SS..THydrogen-bonded Turntrans-115.6-13.7-171690000113.9D172 N177D172-T175 PolarHBondContact O-N 3.49Å; D172-T175 WeakPolarHBondContact OD1-CB 3.33Å; D172-T175 WeakPolarHBondContact OD1-CG2 3.31Å; D172-T175 PolarHBondContact OD1-N 3.21Å; D172-T175 PolarHBondContact OD1-OG1 3.49Å; T175-N177 VanDerWaalsContact CB-ND2 3.29Å; T175-N177 WeakPolarHBondContact CB-ND2 3.24Å; T175-N177 PolarHBondContact O-N 2.8Å; T175-N177 PolarHBondContact O-ND2 3.1Å; T175-N177 PolarHBondContact OG1-N 2.94Å; T175-N177 PolarHBondContact OG1-ND2 3.06Å; T175-N177 VanDerWaalsContact OG1-ND2 3.15Å
176G92.7Very high96.3Very high41 Ų4151.4 Ų51.442%0.42327%0.267SS..SBendtrans68.76.3-174.400000114.6D172D172-G176 WeakPolarHBondContact O-CA 3.38Å; D172-G176 PolarHBondContact O-N 3.21Å
177N94.2Very high96.3Very high78 Ų7853 Ų5342%0.41728%0.276SS..SBendtrans-90.5170.2-179.5-63.6-68.4000111.7D172 T175 S179D172-N177 WeakPolarHBondContact CB-O 3.27Å; D172-N177 PolarHBondContact N-O 3.18Å; T175-N177 VanDerWaalsContact CB-ND2 3.29Å; T175-N177 WeakPolarHBondContact CB-ND2 3.24Å; T175-N177 PolarHBondContact O-N 2.8Å; T175-N177 PolarHBondContact O-ND2 3.1Å; T175-N177 PolarHBondContact OG1-N 2.94Å; T175-N177 PolarHBondContact OG1-ND2 3.06Å; T175-N177 VanDerWaalsContact OG1-ND2 3.15Å; N177-S179 PolarHBondContact O-N 3.47Å
178A96.6Very high96.3Very high15 Ų1553.1 Ų53.112%0.12428%0.276CS..EExtended strand (participates in β ladder)trans-58.5126.6166.600000110.9K54 F169K54-A178 HydrophobicContact CB-CB 3.89Å; F169-A178 HydrophobicContact CB-CB 4.11Å
179S97.1Very high96.2Very high16 Ų1654.7 Ų54.711%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-79.8-169.7174.791.40000110.9Q66 S170 N177 N181Q66-S179 PolarHBondContact NE2-O 2.89Å; S170-S179 WeakPolarHBondContact O-CB 2.96Å; S170-S179 PolarHBondContact O-N 3.21Å; S170-S179 PolarHBondContact O-OG 3.44Å; S170-S179 PolarHBondContact OG-OG 3.32Å; N177-S179 PolarHBondContact O-N 3.47Å; S179-N181 PolarHBondContact OG-N 3.02Å
180R96.2Very high96.1Very high143 Ų14356.6 Ų56.654%0.5429%0.293SS..EExtended strand (participates in β ladder)trans-83.3-18.3171.372.7-175.8-178.5113.1-2.3114.2N65 E69N65-R180 HydrophobicContact CB-CB 3.84Å; E69-R180 WeakPolarHBondContact CG-O 3.42Å
181N97.5Very high96.1Very high70 Ų7055.4 Ų55.437%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-83.9117.3-168.9-56.4-26.5000109.4F169 S170 S179F169-N181 CarbonylContact C-O 3.5Å; F169-N181 WeakPolarHBondContact CA-O 3.4Å; F169-N181 WeakPolarHBondContact CB-O 3.3Å; S170-N181 PolarHBondContact N-O 3.45Å; S179-N181 PolarHBondContact OG-N 3.02Å
182L98.3Very high96.2Very high10 Ų1053.5 Ų53.55%0.05227%0.273CS..EExtended strand (participates in β ladder)trans-78.2128.7177.1-173.269.1000109.4P25 E69 V70 K73 L167 I168 F169 I185P25-L182 HydrophobicContact CG-CB 4.19Å; P25-L182 HydrophobicContact CG-CD2 3.87Å; P25-L182 HydrophobicContact CG-CG 3.8Å; E69-L182 HydrophobicContact CG-CB 3.76Å; V70-L182 HydrophobicContact CG2-CD2 4.23Å; K73-L182 HydrophobicContact CB-CD2 4.33Å; K73-L182 HydrophobicContact CG-CD2 4.07Å; L167-L182 HydrophobicContact CB-CD1 3.88Å; L167-L182 HydrophobicContact CD2-CD1 3.87Å; L167-L182 HydrophobicContact CD2-CD2 4.29Å; L167-L182 HydrophobicContact CG-CD1 4.42Å; I168-L182 WeakPolarHBondContact O-CD1 3.39Å; F169-L182 HydrophobicContact CD1-CB 4.25Å; F169-L182 HydrophobicContact CD1-CD1 4.12Å; F169-L182 HydrophobicContact CE1-CB 4.14Å; F169-L182 HydrophobicContact CE1-CD1 3.79Å; F169-L182 HydrophobicContact CE2-CD1 4.46Å; F169-L182 HydrophobicContact CZ-CD1 3.98Å; L182-I185 HydrophobicContact CD2-CD1 3.98Å; L182-I185 HydrophobicContact CD2-CG1 3.74Å; L182-I185 HydrophobicContact CG-CG1 4.46Å
183I97.8Very high96.4Very high43 Ų4352.5 Ų52.522%0.22127%0.266CS..EExtended strand (participates in β ladder)trans-118.8-15.9-176.967.2169.5000113.8P25 M49 I168P25-I183 VanDerWaalsContact CB-C 3.48Å; P25-I183 WeakPolarHBondContact CB-O 3.2Å; M49-I183 HydrophobicContact CE-CB 4.28Å; M49-I183 HydrophobicContact CE-CD1 3.61Å; M49-I183 HydrophobicContact CE-CG1 3.87Å; I168-I183 HydrophobicContact CB-CG1 4.26Å; I168-I183 HydrophobicContact CG2-CD1 3.95Å; I168-I183 HydrophobicContact CG2-CG1 3.78Å; I168-I183 VanDerWaalsContact O-CG1 3.31Å; I168-I183 WeakPolarHBondContact O-CG1 3.35Å; I168-I183 PolarHBondContact O-N 2.96Å
184A97.9Very high96.7Very high0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-157.2143.7165.800000111.6P25 A27 M49 I168 I186P25-A184 WeakPolarHBondContact O-CA 3.35Å; A27-A184 HydrophobicContact CB-CB 4.29Å; M49-A184 HydrophobicContact CE-CB 4.32Å; I168-A184 HydrophobicContact CB-CB 4.19Å; I168-A184 HydrophobicContact CD1-CB 4.28Å; I168-A184 PolarHBondContact N-O 3.21Å; I168-A184 PolarHBondContact O-N 2.92Å; A184-I186 HydrophobicContact CB-CG2 4.1Å
185I98.2Very high96.8Very high1 Ų133.5 Ų33.51%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-105.3129.7158.1-55.3169.5000107.2I24 P25 H159 L162 N166 L167 L182 W188I24-I185 HydrophobicContact CD1-CD1 4.27Å; P25-I185 PolarHBondContact O-N 3.41Å; H159-I185 VanDerWaalsContact CD2-CG2 3.45Å; H159-I185 WeakPolarHBondContact CD2-CG2 3.33Å; L162-I185 HydrophobicContact CD1-CG2 3.8Å; N166-I185 WeakPolarHBondContact O-CA 3.46Å; L167-I185 HydrophobicContact CD2-CG1 3.98Å; L182-I185 HydrophobicContact CD2-CD1 3.98Å; L182-I185 HydrophobicContact CD2-CG1 3.74Å; L182-I185 HydrophobicContact CG-CG1 4.46Å; I185-W188 HydrophobicContact CB-CZ2 3.8Å; I185-W188 HydrophobicContact CG2-CH2 4.12Å; I185-W188 HydrophobicContact CG2-CZ2 3.48Å; I185-W188 VanDerWaalsContact CG2-CZ2 3.48Å; I185-W188 PolarHBondContact O-NE1 2.73Å; I185-W188 VanDerWaalsContact O-NE1 3.12Å
186I97.4Very high97Very high38 Ų3829.7 Ų29.720%0.19516%0.157CC..  trans-131.4169.4-172.861.3162.6000110.9A27 H159 N166 I168 A184A27-I186 HydrophobicContact CB-CG2 4.19Å; H159-I186 PolarHBondContact NE2-O 3.24Å; N166-I186 WeakPolarHBondContact CB-O 3.49Å; N166-I186 PolarHBondContact O-N 3.48Å; N166-I186 VanDerWaalsContact O-N 3.13Å; I168-I186 HydrophobicContact CD1-CD1 4.1Å; I168-I186 HydrophobicContact CD1-CG2 4.13Å; I168-I186 HydrophobicContact CG1-CD1 4.44Å; A184-I186 HydrophobicContact CB-CG2 4.1Å
187D97Very high97.2Very high39 Ų3927.8 Ų27.821%0.20914%0.137CC..  trans67.360.9177.7-163.5-10.3000113.1H159 Q189H159-D187 PolarHBondContact CE1-O 3.08Å; H159-D187 PolarHBondContact NE2-O 3.26Å; D187-Q189 PolarHBondContact O-N 3.09Å; D187-Q189 VanDerWaalsContact O-N 3.17Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.49Å; D187-Q189 PolarHBondContact OD1-NE2 3.29Å; D187-Q189 PolarHBondContact OD2-NE2 2.98Å
188W97.9Very high97.4Very high1 Ų124.9 Ų24.90%0.00412%0.121CC..  trans-82.721-179.9-65.289.2000113.1E10 V13 Y14 F17 I24 L26 L77 H159 I185 I190 C191E10-W188 HydrophobicContact CG-CB 4.36Å; V13-W188 HydrophobicContact CB-CB 4.18Å; V13-W188 HydrophobicContact CG1-CB 3.79Å; V13-W188 HydrophobicContact CG1-CD2 4.09Å; V13-W188 HydrophobicContact CG1-CE3 4.24Å; V13-W188 HydrophobicContact CG1-CG 3.91Å; Y14-W188 AromaticContact CZ-CD1 3.84Å; F17-W188 AromaticContact CE2-CD2 3.98Å; F17-W188 HydrophobicContact CE2-CD2 3.98Å; F17-W188 AromaticContact CE2-CE2 3.85Å; F17-W188 HydrophobicContact CE2-CE3 4.14Å; F17-W188 HydrophobicContact CE2-CH2 4.05Å; F17-W188 AromaticContact CE2-CZ2 3.88Å; F17-W188 HydrophobicContact CE2-CZ2 3.88Å; F17-W188 HydrophobicContact CE2-CZ3 4.17Å; F17-W188 HydrophobicContact CZ-CE3 4.43Å; F17-W188 HydrophobicContact CZ-CH2 4.34Å; F17-W188 HydrophobicContact CZ-CZ3 4.25Å; I24-W188 HydrophobicContact CD1-CH2 3.9Å; I24-W188 HydrophobicContact CD1-CZ2 3.81Å; L26-W188 HydrophobicContact CD2-CZ2 3.92Å; L77-W188 HydrophobicContact CD2-CH2 3.73Å; L77-W188 HydrophobicContact CD2-CZ3 4Å; H159-W188 HydrophobicContact CB-CE3 4.07Å; H159-W188 HydrophobicContact CB-CH2 4.34Å; H159-W188 HydrophobicContact CB-CZ3 3.73Å; H159-W188 AromaticContact CD2-CD2 3.57Å; H159-W188 AromaticContact CD2-CE2 3.75Å; H159-W188 AromaticContact CD2-CE3 3.51Å; H159-W188 AromaticContact CD2-CH2 3.86Å; H159-W188 AromaticContact CD2-CZ2 3.92Å; H159-W188 AromaticContact CD2-CZ3 3.66Å; I185-W188 HydrophobicContact CB-CZ2 3.8Å; I185-W188 HydrophobicContact CG2-CH2 4.12Å; I185-W188 HydrophobicContact CG2-CZ2 3.48Å; I185-W188 VanDerWaalsContact CG2-CZ2 3.48Å; I185-W188 PolarHBondContact O-NE1 2.73Å; I185-W188 VanDerWaalsContact O-NE1 3.12Å; W188-I190 VanDerWaalsContact C-N 3.26Å; W188-I190 PolarHBondContact O-N 3.18Å; W188-C191 HydrophobicContact CB-CB 4.33Å; W188-C191 HydrophobicContact CE3-CB 4.24Å; W188-C191 WeakPolarHBondContact O-CB 3.31Å; W188-C191 PolarHBondContact O-N 2.74Å; W188-C191 VanDerWaalsContact O-N 3.11Å
189Q96.5Very high97.5Very high48 Ų4824.1 Ų24.122%0.22412%0.115CC..THydrogen-bonded Turntrans-68.1-23.9-167.881.9-178.7-76.800114.1Y6 E10 D187Y6-Q189 VanDerWaalsContact CA-O 3.22Å; Y6-Q189 WeakPolarHBondContact CA-O 3.38Å; Y6-Q189 HydrophobicContact CD2-CG 4.39Å; Y6-Q189 HydrophobicContact CG-CG 4.4Å; E10-Q189 HydrophobicContact CB-CB 4.1Å; E10-Q189 HydrophobicContact CG-CB 4.31Å; D187-Q189 PolarHBondContact O-N 3.09Å; D187-Q189 VanDerWaalsContact O-N 3.17Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.49Å; D187-Q189 PolarHBondContact OD1-NE2 3.29Å; D187-Q189 PolarHBondContact OD2-NE2 2.98Å
190I96.2Very high97.5Very high40 Ų4023.5 Ų23.521%0.20511%0.11CC..THydrogen-bonded Turntrans-110.719.9175.870.9170000113Y6 H159 G160 D161 W188 H192Y6-I190 HydrophobicContact CD1-CG2 3.8Å; Y6-I190 HydrophobicContact CD2-CG2 4Å; Y6-I190 HydrophobicContact CE1-CB 4.49Å; Y6-I190 HydrophobicContact CE1-CG2 3.57Å; Y6-I190 HydrophobicContact CE2-CG2 3.76Å; Y6-I190 HydrophobicContact CG-CG2 4.03Å; H159-I190 CarbonylContact O-C 3.58Å; G160-I190 VanDerWaalsContact C-CD1 3.44Å; G160-I190 WeakPolarHBondContact O-CD1 3.37Å; D161-I190 HydrophobicContact CB-CD1 3.6Å; D161-I190 HydrophobicContact CB-CG1 3.83Å; W188-I190 VanDerWaalsContact C-N 3.26Å; W188-I190 PolarHBondContact O-N 3.18Å; I190-H192 PolarHBondContact O-ND1 3.01Å
191C98.4Very high97.6Very high0 Ų016.7 Ų16.70%08%0.084CC..  trans-58137.6175178.80000111.2T9 V13 P93 I157 V158 H159 W188T9-C191 HydrophobicContact CG2-CB 4.13Å; T9-C191 WeakPolarHBondContact CG2-O 3.37Å; V13-C191 HydrophobicContact CG2-CB 3.68Å; V13-C191 VanDerWaalsContact CG2-SG 3.56Å; P93-C191 WeakPolarHBondContact CD-O 3.04Å; I157-C191 VanDerWaalsContact CG1-SG 3.51Å; V158-C191 VanDerWaalsContact O-CA 3.23Å; V158-C191 WeakPolarHBondContact O-CA 3.47Å; V158-C191 PolarHBondContact O-SG 2.83Å; H159-C191 WeakPolarHBondContact O-CA 3.23Å; H159-C191 PolarHBondContact O-N 3.27Å; W188-C191 HydrophobicContact CB-CB 4.33Å; W188-C191 HydrophobicContact CE3-CB 4.24Å; W188-C191 WeakPolarHBondContact O-CB 3.31Å; W188-C191 PolarHBondContact O-N 2.74Å; W188-C191 VanDerWaalsContact O-N 3.11Å
192H98.3Very high97.5Very high1 Ų113.9 Ų13.91%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-157.8174.4-176.761.1-77.5000111.8P93 V98 V158 I190 E198P93-H192 HydrophobicContact CB-CB 4.23Å; P93-H192 WeakPolarHBondContact O-CA 3.27Å; P93-H192 WeakPolarHBondContact O-CB 3.43Å; V98-H192 HydrophobicContact CG2-CB 3.58Å; V158-H192 WeakPolarHBondContact CG2-CE1 3.33Å; V158-H192 WeakPolarHBondContact CG2-O 3.49Å; V158-H192 PolarHBondContact N-O 2.95Å; V158-H192 PolarHBondContact O-N 2.84Å; V158-H192 VanDerWaalsContact O-N 3.16Å; I190-H192 PolarHBondContact O-ND1 3.01Å; H192-E198 IonicContact CE1-OE1 3.36Å; H192-E198 PolarHBondContact CE1-OE1 3.26Å; H192-E198 IonicContact NE2-OE1 3.89Å; H192-E198 PolarHBondContact NE2-OE1 3.05Å; H192-E198 IonicContact NE2-OE2 2.75Å
193Q98.2Very high97.4Very high36 Ų3613.5 Ų13.517%0.1687%0.067CC..EExtended strand (participates in β ladder)trans-74.1122.8165.9-52.4179.249.500107.9W88 R89 V92 P93 F95 D155W88-Q193 HydrophobicContact CH2-CG 4.22Å; W88-Q193 HydrophobicContact CZ3-CB 4.32Å; W88-Q193 HydrophobicContact CZ3-CG 3.71Å; R89-Q193 PolarHBondContact O-NE2 3.43Å; V92-Q193 HydrophobicContact CG2-CG 3.87Å; P93-Q193 PolarHBondContact O-N 3.14Å; F95-Q193 WeakPolarHBondContact CA-O 3.36Å; F95-Q193 VanDerWaalsContact CB-O 3.24Å; F95-Q193 WeakPolarHBondContact CB-O 3.28Å; F95-Q193 PolarHBondContact N-O 2.76Å; D155-Q193 HydrophobicContact CB-CB 4.14Å
194G97.3Very high97.3Very high0 Ų011.7 Ų11.70%06%0.058CC..EExtended strand (participates in β ladder)trans-154.8178.4-17300000114.9D155 V156D155-G194 WeakPolarHBondContact CA-O 3.45Å; V156-G194 PolarHBondContact N-O 3.07Å; V156-G194 PolarHBondContact O-N 2.93Å
195P97Very high97Very high0 Ų012 Ų120%06%0.06CC..  trans-65.5138.7175.911.6-13000111.5F95 F149 V158 A197 E198 Y251F95-P195 HydrophobicContact CD2-CG 4.43Å; F95-P195 HydrophobicContact CE2-CG 3.89Å; F95-P195 HydrophobicContact CZ-CG 4.32Å; F149-P195 HydrophobicContact CB-CB 4.26Å; F149-P195 HydrophobicContact CD1-CB 3.6Å; F149-P195 HydrophobicContact CD1-CG 4.12Å; F149-P195 HydrophobicContact CD2-CB 3.67Å; F149-P195 HydrophobicContact CE1-CB 3.6Å; F149-P195 HydrophobicContact CE1-CG 3.64Å; F149-P195 HydrophobicContact CE2-CB 3.74Å; F149-P195 HydrophobicContact CE2-CG 4.22Å; F149-P195 HydrophobicContact CG-CB 3.61Å; F149-P195 HydrophobicContact CZ-CB 3.72Å; F149-P195 HydrophobicContact CZ-CG 3.75Å; V158-P195 WeakPolarHBondContact CG1-O 3.4Å; P195-A197 HydrophobicContact CB-CB 4.46Å; P195-A197 PolarHBondContact O-N 3.33Å; P195-E198 WeakPolarHBondContact CD-OE2 3.15Å; P195-E198 HydrophobicContact CG-CB 4.09Å; P195-E198 WeakPolarHBondContact O-CB 3.46Å; P195-E198 PolarHBondContact O-N 3.38Å; P195-Y251 HydrophobicContact CB-CE2 4.25Å; P195-Y251 HydrophobicContact CG-CD2 4.19Å; P195-Y251 HydrophobicContact CG-CE1 4.4Å; P195-Y251 HydrophobicContact CG-CE2 3.48Å; P195-Y251 VanDerWaalsContact CG-CE2 3.48Å
196F97.4Very high96.4Very high3 Ų312.8 Ų12.81%0.0137%0.066CC..THydrogen-bonded Turntrans-53.2-20.1170.774.2-97.5000114.1F149 V152 M153 V156 F221 Y224 A244 Q247 F248F149-F196 HydrophobicContact CB-CD1 4.29Å; F149-F196 HydrophobicContact CB-CE1 3.86Å; V152-F196 HydrophobicContact CB-CE1 3.95Å; V152-F196 HydrophobicContact CG1-CE1 3.9Å; V152-F196 HydrophobicContact CG1-CZ 4.18Å; M153-F196 HydrophobicContact CB-CD1 4.24Å; M153-F196 HydrophobicContact SD-CB 3.93Å; M153-F196 HydrophobicContact SD-CG 4.49Å; V156-F196 HydrophobicContact CG2-CB 4.14Å; F196-F221 HydrophobicContact CD2-CE2 4.29Å; F196-F221 AromaticContact CE2-CE2 3.76Å; F196-F221 HydrophobicContact CE2-CE2 3.76Å; F196-F221 AromaticContact CE2-CZ 3.75Å; F196-F221 HydrophobicContact CE2-CZ 3.75Å; F196-Y224 WeakPolarHBondContact CB-OH 3.22Å; F196-Y224 HydrophobicContact CD2-CE1 4.07Å; F196-A244 HydrophobicContact CE2-CB 4.48Å; F196-A244 HydrophobicContact CZ-CB 4.24Å; F196-Q247 HydrophobicContact CZ-CB 4.46Å; F196-F248 HydrophobicContact CE2-CB 4.39Å
197A96.8Very high96.2Very high1 Ų111.1 Ų11.11%0.0086%0.057CC..THydrogen-bonded Turntrans-80.8-23.5-179.600000113.7P195 L200 C201 F248 Y251P195-A197 HydrophobicContact CB-CB 4.46Å; P195-A197 PolarHBondContact O-N 3.33Å; A197-L200 PolarHBondContact O-N 3.01Å; A197-C201 PolarHBondContact O-N 3.05Å; A197-C201 PolarHBondContact O-SG 2.91Å; A197-F248 HydrophobicContact CB-CB 4.48Å; A197-F248 HydrophobicContact CB-CD2 3.78Å; A197-Y251 HydrophobicContact CB-CD1 4.11Å; A197-Y251 HydrophobicContact CB-CG 4.13Å
198E97.3Very high96.1Very high17 Ų179.2 Ų9.28%0.0795%0.047CC..Hα-helixtrans-60.5-55.7-162.5-174.2150.615000113.4V158 H192 P195 L200 C201 N202 Y251V158-E198 HydrophobicContact CG1-CB 4.29Å; H192-E198 IonicContact CE1-OE1 3.36Å; H192-E198 PolarHBondContact CE1-OE1 3.26Å; H192-E198 IonicContact NE2-OE1 3.89Å; H192-E198 PolarHBondContact NE2-OE1 3.05Å; H192-E198 IonicContact NE2-OE2 2.75Å; P195-E198 WeakPolarHBondContact CD-OE2 3.15Å; P195-E198 HydrophobicContact CG-CB 4.09Å; P195-E198 WeakPolarHBondContact O-CB 3.46Å; P195-E198 PolarHBondContact O-N 3.38Å; E198-L200 VanDerWaalsContact C-N 3.3Å; E198-L200 PolarHBondContact O-N 2.9Å; E198-C201 CarbonylContact O-C 3.46Å; E198-C201 WeakPolarHBondContact O-CA 3.44Å; E198-C201 VanDerWaalsContact O-CB 3.31Å; E198-C201 WeakPolarHBondContact O-CB 3.4Å; E198-C201 PolarHBondContact O-N 3.01Å; E198-N202 PolarHBondContact O-N 3.08Å; E198-Y251 HydrophobicContact CB-CE1 4.28Å; E198-Y251 HydrophobicContact CG-CE1 4.42Å; E198-Y251 PolarHBondContact OE2-OH 3.42Å
199D98.3Very high95.9Very high0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-64.7-35.4-174.6-75.1-21.4000112.5L74 V158 H159 G160 L162 C201 L203L74-D199 HydrophobicContact CD1-CB 3.88Å; L74-D199 HydrophobicContact CD2-CB 3.78Å; L74-D199 HydrophobicContact CG-CB 4.5Å; V158-D199 WeakPolarHBondContact CA-OD2 3.35Å; H159-D199 WeakPolarHBondContact CB-OD1 3.29Å; H159-D199 WeakPolarHBondContact CB-OD2 3.29Å; H159-D199 PolarHBondContact N-OD1 3.45Å; H159-D199 PolarHBondContact N-OD2 2.82Å; G160-D199 PolarHBondContact N-OD1 2.83Å; L162-D199 HydrophobicContact CB-CB 3.92Å; L162-D199 HydrophobicContact CD2-CB 3.83Å; D199-C201 VanDerWaalsContact C-N 3.3Å; D199-C201 PolarHBondContact O-N 3.12Å; D199-L203 VanDerWaalsContact O-CB 3.29Å; D199-L203 WeakPolarHBondContact O-CB 3.39Å; D199-L203 PolarHBondContact O-N 3.35Å
200L97.8Very high95.7Very high2 Ų211.4 Ų11.41%0.016%0.059CC..Hα-helixtrans-66.8-32.7171.4-78.2177.7000112L74 A197 E198 L203 L204 I220 F221 Y224 F248L74-L200 HydrophobicContact CD1-CD2 3.82Å; L74-L200 HydrophobicContact CD1-CG 3.83Å; A197-L200 PolarHBondContact O-N 3.01Å; E198-L200 VanDerWaalsContact C-N 3.3Å; E198-L200 PolarHBondContact O-N 2.9Å; L200-L203 HydrophobicContact CD2-CD2 4.36Å; L200-L204 WeakPolarHBondContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CD1 3.34Å; L200-L204 WeakPolarHBondContact O-CG 3.45Å; L200-L204 PolarHBondContact O-N 3.41Å; L200-L204 VanDerWaalsContact O-N 3.08Å; L200-I220 HydrophobicContact CD2-CG2 4.14Å; L200-F221 HydrophobicContact CD1-CD2 3.97Å; L200-Y224 HydrophobicContact CD1-CD1 3.86Å; L200-Y224 HydrophobicContact CD1-CD2 4.23Å; L200-Y224 HydrophobicContact CD1-CG 3.71Å; L200-F248 HydrophobicContact CB-CE2 3.74Å; L200-F248 HydrophobicContact CB-CZ 4.34Å; L200-F248 HydrophobicContact CD1-CE2 4.43Å
201C97.4Very high95.6Very high0 Ų016.6 Ų16.60%08%0.076CC..Hα-helixtrans-70.4-45.2176.2-65.80000111.8A197 E198 D199 L203 L204 S205 Y251 L252 H255A197-C201 PolarHBondContact O-N 3.05Å; A197-C201 PolarHBondContact O-SG 2.91Å; E198-C201 CarbonylContact O-C 3.46Å; E198-C201 WeakPolarHBondContact O-CA 3.44Å; E198-C201 VanDerWaalsContact O-CB 3.31Å; E198-C201 WeakPolarHBondContact O-CB 3.4Å; E198-C201 PolarHBondContact O-N 3.01Å; D199-C201 VanDerWaalsContact C-N 3.3Å; D199-C201 PolarHBondContact O-N 3.12Å; C201-L203 VanDerWaalsContact C-N 3.3Å; C201-L203 PolarHBondContact O-N 3.29Å; C201-L204 PolarHBondContact O-N 3.13Å; C201-L204 VanDerWaalsContact O-N 3.14Å; C201-S205 PolarHBondContact O-N 2.86Å; C201-Y251 HydrophobicContact CB-CD1 4.22Å; C201-Y251 HydrophobicContact CB-CE1 4.41Å; C201-L252 HydrophobicContact CB-CD1 3.78Å; C201-L252 VanDerWaalsContact SG-CD1 3.53Å; C201-H255 HydrophobicContact CB-CB 4.17Å
202N95.8Very high95.5Very high12 Ų1217.8 Ų17.86%0.0648%0.081CC..Hα-helixtrans-56-45.4171.8-77.2-37.1000111.4G160 L162 E198 L204 S205 H255G160-N202 PolarHBondContact O-ND2 2.93Å; L162-N202 HydrophobicContact CB-CB 4.44Å; L162-N202 CarbonylContact O-C 3.57Å; L162-N202 VanDerWaalsContact O-C 3.3Å; L162-N202 WeakPolarHBondContact O-CB 3.46Å; E198-N202 PolarHBondContact O-N 3.08Å; N202-L204 VanDerWaalsContact C-N 3.28Å; N202-L204 PolarHBondContact O-N 2.92Å; N202-S205 PolarHBondContact O-N 3.09Å; N202-S205 PolarHBondContact O-OG 3.28Å; N202-H255 PolarHBondContact OD1-CE1 3.45Å; N202-H255 PolarHBondContact OD1-NE2 3.46Å
203L96.2Very high95.3Very high1 Ų117.8 Ų17.81%0.0058%0.081CC..Hα-helixtrans-60.4-41.9178-166.769.4000111.1L62 L67 V70 L162 L167 D199 L200 C201 S207 V208L62-L203 HydrophobicContact CD1-CD1 3.29Å; L62-L203 HydrophobicContact CD1-CG 3.93Å; L67-L203 HydrophobicContact CD2-CD2 3.61Å; L67-L203 HydrophobicContact CD2-CG 3.93Å; V70-L203 HydrophobicContact CB-CD2 4.09Å; V70-L203 HydrophobicContact CG1-CD1 4.32Å; V70-L203 HydrophobicContact CG1-CD2 3.63Å; L162-L203 VanDerWaalsContact O-CA 3.31Å; L162-L203 WeakPolarHBondContact O-CA 3.19Å; L162-L203 PolarHBondContact O-N 2.87Å; L167-L203 HydrophobicContact CD1-CD1 3.71Å; D199-L203 VanDerWaalsContact O-CB 3.29Å; D199-L203 WeakPolarHBondContact O-CB 3.39Å; D199-L203 PolarHBondContact O-N 3.35Å; L200-L203 HydrophobicContact CD2-CD2 4.36Å; C201-L203 VanDerWaalsContact C-N 3.3Å; C201-L203 PolarHBondContact O-N 3.29Å; L203-S207 WeakPolarHBondContact O-CB 3.48Å; L203-V208 WeakPolarHBondContact O-CG2 3.46Å
204L96Very high95.1Very high6 Ų624.7 Ų24.73%0.03111%0.106CC..Hα-helixtrans-76.6-27.4-176.5-70.9168.8000113.6L200 C201 N202 V208 R213 T217 F248 L252 Y256L200-L204 WeakPolarHBondContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CD1 3.34Å; L200-L204 WeakPolarHBondContact O-CG 3.45Å; L200-L204 PolarHBondContact O-N 3.41Å; L200-L204 VanDerWaalsContact O-N 3.08Å; C201-L204 PolarHBondContact O-N 3.13Å; C201-L204 VanDerWaalsContact O-N 3.14Å; N202-L204 VanDerWaalsContact C-N 3.28Å; N202-L204 PolarHBondContact O-N 2.92Å; L204-V208 HydrophobicContact CD2-CG2 4.29Å; L204-R213 HydrophobicContact CD2-CG 4.31Å; L204-R213 WeakPolarHBondContact O-CD 3.44Å; L204-T217 HydrophobicContact CD1-CG2 3.91Å; L204-F248 HydrophobicContact CD1-CZ 3.73Å; L204-L252 HydrophobicContact CB-CD1 4.23Å; L204-L252 HydrophobicContact CD1-CD1 4.08Å; L204-L252 HydrophobicContact CD1-CD2 4.2Å; L204-Y256 HydrophobicContact CB-CE1 4.35Å
205S91.3Very high95.1Very high5 Ų531 Ų314%0.03513%0.133CC..Hα-helixtrans-60.5-63.2-172.164.60000113.1C201 N202 R213 S287C201-S205 PolarHBondContact O-N 2.86Å; N202-S205 PolarHBondContact O-N 3.09Å; N202-S205 PolarHBondContact O-OG 3.28Å; S205-R213 PolarHBondContact O-NH1 2.93Å; S205-S287 PolarHBondContact O-OG 2.88Å; S205-S287 VanDerWaalsContact O-OG 3.05Å
206C85.8Confident95.2Very high19 Ų1933.4 Ų33.413%0.12814%0.143CC..Hα-helixtrans-114.4-22.9-173.5-85.40000114.4V208 D263 R283 I284C206-V208 VanDerWaalsContact C-N 3.33Å; C206-V208 PolarHBondContact O-N 2.95Å; C206-D263 PolarHBondContact SG-OD2 3.35Å; C206-R283 WeakPolarHBondContact O-CD 3.49Å; C206-R283 PolarHBondContact O-NH1 3.12Å; C206-I284 WeakPolarHBondContact SG-CG1 3.5Å
207S93.6Very high95.2Very high2 Ų233.8 Ų33.81%0.01415%0.145CC..SBendtrans-82-11.8-174.8-46.20000113.4G61 L62 C163 S164 L203G61-S207 CarbonylContact C-O 3.3Å; G61-S207 WeakPolarHBondContact CA-O 3.27Å; L62-S207 PolarHBondContact N-O 3.1Å; C163-S207 WeakPolarHBondContact CA-OG 3.38Å; S164-S207 PolarHBondContact N-OG 3.39Å; L203-S207 WeakPolarHBondContact O-CB 3.48Å
208V95.5Very high95.3Very high0 Ų038.7 Ų38.70%017%0.166CC..SBendtrans-123.5131.2-174.2-175.60000111.7L67 L203 L204 C206 K212 R213L67-V208 HydrophobicContact CD1-CG1 4.01Å; L67-V208 HydrophobicContact CD1-CG2 3.91Å; L67-V208 HydrophobicContact CD2-CG2 3.52Å; L67-V208 HydrophobicContact CG-CG2 4.28Å; L203-V208 WeakPolarHBondContact O-CG2 3.46Å; L204-V208 HydrophobicContact CD2-CG2 4.29Å; C206-V208 VanDerWaalsContact C-N 3.33Å; C206-V208 PolarHBondContact O-N 2.95Å; V208-K212 HydrophobicContact CG1-CB 3.6Å; V208-K212 HydrophobicContact CG1-CD 4.38Å; V208-R213 HydrophobicContact CB-CG 3.83Å; V208-R213 HydrophobicContact CG1-CG 3.54Å; V208-R213 PolarHBondContact O-NH1 2.92Å
209A93.6Very high95.3Very high16 Ų1640.2 Ų40.213%0.13218%0.178CC..  trans-63142.3175.900000112.2W211 K212 R213A209-W211 VanDerWaalsContact C-N 3.3Å; A209-W211 PolarHBondContact O-N 3.37Å; A209-W211 VanDerWaalsContact O-N 3.11Å; A209-K212 HydrophobicContact CB-CD 4.48Å; A209-K212 WeakPolarHBondContact O-CB 3.31Å; A209-K212 PolarHBondContact O-N 3.28Å; A209-R213 PolarHBondContact O-N 2.98Å; A209-R213 VanDerWaalsContact O-N 3.16Å
210K92.7Very high95.4Very high78 Ų7840.4 Ų40.434%0.33918%0.179SC..Hα-helixtrans-43.5-48.4-178.2-178.6-176.8-173.2169.70114.6K212 R213 R214 A286K210-K212 VanDerWaalsContact C-N 3.34Å; K210-K212 PolarHBondContact O-N 2.89Å; K210-R213 PolarHBondContact O-N 3.25Å; K210-R214 WeakPolarHBondContact O-CG 3.48Å; K210-R214 PolarHBondContact O-N 3.18Å; K210-A286 HydrophobicContact CB-CB 4.35Å; K210-A286 HydrophobicContact CD-CB 3.65Å; K210-A286 HydrophobicContact CG-CB 3.98Å
211W93.6Very high95.4Very high150 Ų15040.3 Ų40.357%0.56818%0.178SC*.Hα-helixtrans-66.8-35.3-177.576.6-98.1000112.4A209 K215 Y216A209-W211 VanDerWaalsContact C-N 3.3Å; A209-W211 PolarHBondContact O-N 3.37Å; A209-W211 VanDerWaalsContact O-N 3.11Å; W211-K215 PolarHBondContact O-N 3.2Å; W211-Y216 AromaticContact CZ3-CE2 3.93Å; W211-Y216 HydrophobicContact CZ3-CE2 3.93Å
212K96.3Very high95.5Very high24 Ų2444.7 Ų44.710%0.10420%0.197CC..Hα-helixtrans-67.4-44176.4-68.3176.8-175.21580110.3L62 V208 A209 K210 R214 K215 Y216L62-K212 WeakPolarHBondContact O-CD 3.46Å; L62-K212 PolarHBondContact O-NZ 2.84Å; V208-K212 HydrophobicContact CG1-CB 3.6Å; V208-K212 HydrophobicContact CG1-CD 4.38Å; A209-K212 HydrophobicContact CB-CD 4.48Å; A209-K212 WeakPolarHBondContact O-CB 3.31Å; A209-K212 PolarHBondContact O-N 3.28Å; K210-K212 VanDerWaalsContact C-N 3.34Å; K210-K212 PolarHBondContact O-N 2.89Å; K212-R214 PolarHBondContact O-N 2.93Å; K212-K215 PolarHBondContact O-N 2.82Å; K212-Y216 HydrophobicContact CB-CD2 4.41Å; K212-Y216 WeakPolarHBondContact O-CB 3.25Å; K212-Y216 WeakPolarHBondContact O-CD2 3.38Å; K212-Y216 PolarHBondContact O-N 3.29Å
213R94.5Very high95.6Very high2 Ų249.2 Ų49.21%0.00821%0.213CC..Hα-helixtrans-55.7-51.4176.7-57.3-171.7-55.3-125.914.6111.3L204 S205 V208 A209 K210 K215 Y216 T217 R283 S287L204-R213 HydrophobicContact CD2-CG 4.31Å; L204-R213 WeakPolarHBondContact O-CD 3.44Å; S205-R213 PolarHBondContact O-NH1 2.93Å; V208-R213 HydrophobicContact CB-CG 3.83Å; V208-R213 HydrophobicContact CG1-CG 3.54Å; V208-R213 PolarHBondContact O-NH1 2.92Å; A209-R213 PolarHBondContact O-N 2.98Å; A209-R213 VanDerWaalsContact O-N 3.16Å; K210-R213 PolarHBondContact O-N 3.25Å; R213-K215 PolarHBondContact O-N 2.91Å; R213-Y216 PolarHBondContact O-N 3.21Å; R213-T217 VanDerWaalsContact O-CB 3.27Å; R213-T217 WeakPolarHBondContact O-CB 3.35Å; R213-T217 PolarHBondContact O-N 3.07Å; R213-T217 PolarHBondContact O-OG1 3.42Å; R213-R283 PolarHBondContact NH2-O 3.12Å; R213-R283 VanDerWaalsContact NH2-O 3.15Å; R213-S287 PolarHBondContact NH1-OG 3.22Å; R213-S287 PolarHBondContact NH2-OG 2.78Å
214R93.5Very high95.7Very high180 Ų18049.2 Ų49.268%0.67921%0.213SC*.Hα-helixtrans-54.8-39.2178.4-72.3177.7174.4-169.3-7.5113.3K210 K212K210-R214 WeakPolarHBondContact O-CG 3.48Å; K210-R214 PolarHBondContact O-N 3.18Å; K212-R214 PolarHBondContact O-N 2.93Å
215K97.3Very high95.9Very high133 Ų13349.5 Ų49.558%0.57821%0.214SC*.Hα-helixtrans-89.4-33.3-175.1-172.2171.4179.1-175.90113.7W211 K212 R213W211-K215 PolarHBondContact O-N 3.2Å; K212-K215 PolarHBondContact O-N 2.82Å; R213-K215 PolarHBondContact O-N 2.91Å
216Y98Very high96.2Very high51 Ų5152.1 Ų52.120%0.223%0.228CC..Hα-helixtrans-117.9-9.2-165.2-65.3-78.3000114.9V64 W211 K212 R213 K218 P219 I220V64-Y216 HydrophobicContact CG1-CD1 3.82Å; V64-Y216 HydrophobicContact CG1-CE1 3.83Å; V64-Y216 HydrophobicContact CG1-CG 4.2Å; V64-Y216 HydrophobicContact CG2-CD1 4.49Å; V64-Y216 HydrophobicContact CG2-CD2 3.78Å; V64-Y216 HydrophobicContact CG2-CE1 4.39Å; V64-Y216 HydrophobicContact CG2-CE2 3.65Å; V64-Y216 HydrophobicContact CG2-CG 4.22Å; W211-Y216 AromaticContact CZ3-CE2 3.93Å; W211-Y216 HydrophobicContact CZ3-CE2 3.93Å; K212-Y216 HydrophobicContact CB-CD2 4.41Å; K212-Y216 WeakPolarHBondContact O-CB 3.25Å; K212-Y216 WeakPolarHBondContact O-CD2 3.38Å; K212-Y216 PolarHBondContact O-N 3.29Å; R213-Y216 PolarHBondContact O-N 3.21Å; Y216-K218 VanDerWaalsContact C-N 3.35Å; Y216-K218 PolarHBondContact O-N 3.16Å; Y216-P219 VanDerWaalsContact O-CD 3.27Å; Y216-P219 WeakPolarHBondContact O-CD 3.48Å; Y216-I220 WeakPolarHBondContact O-CB 3.32Å; Y216-I220 VanDerWaalsContact O-CG1 3.24Å; Y216-I220 WeakPolarHBondContact O-CG1 3.48Å; Y216-I220 PolarHBondContact O-N 3.27Å
217T98.1Very high96.8Very high10 Ų1051.9 Ų51.96%0.06123%0.226CC..Hα-helixtrans-54.2-47.1178.4-71.30000112.8L204 R213 F221 F248 L252L204-T217 HydrophobicContact CD1-CG2 3.91Å; R213-T217 VanDerWaalsContact O-CB 3.27Å; R213-T217 WeakPolarHBondContact O-CB 3.35Å; R213-T217 PolarHBondContact O-N 3.07Å; R213-T217 PolarHBondContact O-OG1 3.42Å; T217-F221 WeakPolarHBondContact O-CB 3.38Å; T217-F221 PolarHBondContact O-N 2.76Å; T217-F248 HydrophobicContact CG2-CE1 3.67Å; T217-F248 HydrophobicContact CG2-CZ 4.2Å; T217-L252 HydrophobicContact CG2-CD2 3.94Å
218K98.4Very high97Very high105 Ų10551.8 Ų51.846%0.45723%0.225SC..Hα-helixtrans-66.7-49.2176.3-169.9174-176.81780112.4Y216 I220 F221 K222 F241 Y245Y216-K218 VanDerWaalsContact C-N 3.35Å; Y216-K218 PolarHBondContact O-N 3.16Å; K218-I220 PolarHBondContact O-N 3.36Å; K218-F221 PolarHBondContact O-N 3.25Å; K218-K222 WeakPolarHBondContact O-CB 3.39Å; K218-K222 PolarHBondContact O-N 3.23Å; K218-F241 HydrophobicContact CG-CZ 4.42Å; K218-Y245 HydrophobicContact CB-CE1 4.35Å; K218-Y245 HydrophobicContact CB-CE2 4.08Å; K218-Y245 VanDerWaalsContact CB-OH 3.32Å; K218-Y245 WeakPolarHBondContact CB-OH 3.42Å; K218-Y245 HydrophobicContact CD-CD1 4.39Å; K218-Y245 HydrophobicContact CD-CE1 3.72Å; K218-Y245 HydrophobicContact CG-CD1 4.46Å; K218-Y245 HydrophobicContact CG-CE1 3.83Å; K218-Y245 HydrophobicContact CG-CE2 3.98Å
219P98.6Very high97.1Very high49 Ų4955 Ų5532%0.31824%0.243SC..Hα-helixtrans-56.1-41.5174.7-29.533.7000115.5Y68 Y216 K222 R223Y68-P219 VanDerWaalsContact OH-CB 3.27Å; Y68-P219 WeakPolarHBondContact OH-CB 3.07Å; Y216-P219 VanDerWaalsContact O-CD 3.27Å; Y216-P219 WeakPolarHBondContact O-CD 3.48Å; P219-K222 PolarHBondContact O-N 2.61Å; P219-R223 PolarHBondContact O-N 2.59Å
220I98.6Very high97.3Very high3 Ų361.6 Ų61.62%0.01527%0.27CS..Hα-helixtrans-66.2-47.4177.8-66-56.9000110.2L67 Y68 A71 L200 Y216 K218 K222 R223 Y224L67-I220 HydrophobicContact CB-CD1 3.52Å; L67-I220 HydrophobicContact CB-CG1 3.98Å; Y68-I220 HydrophobicContact CD1-CD1 3.48Å; Y68-I220 VanDerWaalsContact CD1-CD1 3.48Å; Y68-I220 HydrophobicContact CD2-CD1 3.82Å; Y68-I220 HydrophobicContact CE1-CD1 3.6Å; Y68-I220 HydrophobicContact CE2-CD1 3.9Å; Y68-I220 HydrophobicContact CG-CD1 3.62Å; A71-I220 HydrophobicContact CB-CG2 3.97Å; L200-I220 HydrophobicContact CD2-CG2 4.14Å; Y216-I220 WeakPolarHBondContact O-CB 3.32Å; Y216-I220 VanDerWaalsContact O-CG1 3.24Å; Y216-I220 WeakPolarHBondContact O-CG1 3.48Å; Y216-I220 PolarHBondContact O-N 3.27Å; K218-I220 PolarHBondContact O-N 3.36Å; I220-K222 VanDerWaalsContact C-N 3.28Å; I220-K222 PolarHBondContact O-N 2.77Å; I220-R223 PolarHBondContact O-N 2.94Å; I220-Y224 PolarHBondContact O-N 3.09Å
221F98.7Very high97.6Very high1 Ų162 Ų620%0.00428%0.276CS..Hα-helixtrans-60.6-39.8176.4-175.7-92.3000112F196 L200 T217 K218 Y224 F225 F241 A244 Y245 F248F196-F221 HydrophobicContact CD2-CE2 4.29Å; F196-F221 AromaticContact CE2-CE2 3.76Å; F196-F221 HydrophobicContact CE2-CE2 3.76Å; F196-F221 AromaticContact CE2-CZ 3.75Å; F196-F221 HydrophobicContact CE2-CZ 3.75Å; L200-F221 HydrophobicContact CD1-CD2 3.97Å; T217-F221 WeakPolarHBondContact O-CB 3.38Å; T217-F221 PolarHBondContact O-N 2.76Å; K218-F221 PolarHBondContact O-N 3.25Å; F221-Y224 HydrophobicContact CD2-CD1 4.24Å; F221-Y224 HydrophobicContact CE2-CD1 4.07Å; F221-Y224 HydrophobicContact CE2-CE1 4.26Å; F221-Y224 WeakPolarHBondContact O-CB 3.43Å; F221-Y224 PolarHBondContact O-N 3.39Å; F221-F225 HydrophobicContact CE1-CB 4.25Å; F221-F225 WeakPolarHBondContact O-CB 3.34Å; F221-F225 PolarHBondContact O-N 3.34Å; F221-F241 HydrophobicContact CD1-CD2 4.5Å; F221-F241 AromaticContact CD1-CE2 3.79Å; F221-F241 HydrophobicContact CD1-CE2 3.79Å; F221-F241 HydrophobicContact CD1-CZ 4.45Å; F221-F241 HydrophobicContact CE1-CD2 4.39Å; F221-F241 HydrophobicContact CE1-CE2 4.11Å; F221-A244 HydrophobicContact CE1-CB 4.22Å; F221-A244 HydrophobicContact CZ-CB 3.99Å; F221-Y245 HydrophobicContact CB-CD2 4.12Å; F221-Y245 HydrophobicContact CB-CE2 4.19Å; F221-Y245 AromaticContact CD1-CD2 3.36Å; F221-Y245 HydrophobicContact CD1-CD2 3.36Å; F221-Y245 HydrophobicContact CD1-CE2 4.25Å; F221-Y245 HydrophobicContact CD1-CG 4.09Å; F221-Y245 AromaticContact CE1-CD2 3.91Å; F221-Y245 HydrophobicContact CE1-CD2 3.91Å; F221-Y245 HydrophobicContact CE1-CG 4.32Å; F221-Y245 AromaticContact CG-CD2 3.77Å; F221-Y245 HydrophobicContact CG-CD2 3.77Å; F221-Y245 HydrophobicContact CG-CE2 4.3Å; F221-F248 HydrophobicContact CB-CD1 4.31Å; F221-F248 HydrophobicContact CB-CE1 4.14Å; F221-F248 HydrophobicContact CD2-CB 3.92Å; F221-F248 AromaticContact CD2-CD1 3.57Å; F221-F248 HydrophobicContact CD2-CD1 3.57Å; F221-F248 AromaticContact CD2-CD2 3.61Å; F221-F248 HydrophobicContact CD2-CD2 3.61Å; F221-F248 AromaticContact CD2-CE1 3.93Å; F221-F248 HydrophobicContact CD2-CE1 3.93Å; F221-F248 AromaticContact CD2-CE2 3.98Å; F221-F248 HydrophobicContact CD2-CE2 3.98Å; F221-F248 AromaticContact CD2-CG 3.39Å; F221-F248 HydrophobicContact CD2-CG 3.39Å; F221-F248 HydrophobicContact CD2-CZ 4.12Å; F221-F248 HydrophobicContact CE2-CB 3.45Å; F221-F248 VanDerWaalsContact CE2-CB 3.45Å; F221-F248 HydrophobicContact CE2-CD1 4.04Å; F221-F248 AromaticContact CE2-CD2 3.68Å; F221-F248 HydrophobicContact CE2-CD2 3.68Å; F221-F248 HydrophobicContact CE2-CE2 4.46Å; F221-F248 AromaticContact CE2-CG 3.43Å; F221-F248 HydrophobicContact CE2-CG 3.43Å; F221-F248 VanDerWaalsContact CE2-CG 3.43Å; F221-F248 AromaticContact CG-CD1 3.91Å; F221-F248 HydrophobicContact CG-CD1 3.91Å; F221-F248 HydrophobicContact CG-CE1 4.21Å; F221-F248 HydrophobicContact CG-CG 4.16Å; F221-F248 HydrophobicContact CZ-CB 3.81Å; F221-F248 HydrophobicContact CZ-CG 4.22Å
222K98.7Very high97.8Very high91 Ų9155.7 Ų55.740%0.39625%0.253SS..Hα-helixtrans-61.4-44.8175.1-164.2-167.8-170.7-45.70111.8K218 P219 I220 Y224 F225 D226 F241K218-K222 WeakPolarHBondContact O-CB 3.39Å; K218-K222 PolarHBondContact O-N 3.23Å; P219-K222 PolarHBondContact O-N 2.61Å; I220-K222 VanDerWaalsContact C-N 3.28Å; I220-K222 PolarHBondContact O-N 2.77Å; K222-Y224 PolarHBondContact O-N 2.86Å; K222-F225 PolarHBondContact O-N 3.05Å; K222-D226 IonicContact NZ-OD1 2.76Å; K222-D226 PolarHBondContact NZ-OD1 3.06Å; K222-D226 IonicContact NZ-OD2 3.37Å; K222-D226 PolarHBondContact NZ-OD2 2.82Å; K222-D226 WeakPolarHBondContact O-CB 3.44Å; K222-D226 PolarHBondContact O-N 3.18Å; K222-F241 HydrophobicContact CB-CE2 3.76Å; K222-F241 HydrophobicContact CB-CZ 4.11Å; K222-F241 HydrophobicContact CG-CD2 4.29Å; K222-F241 HydrophobicContact CG-CE2 3.72Å; K222-F241 HydrophobicContact CG-CZ 4.12Å
223R98.8Very high97.8Very high107 Ų10757.2 Ų57.240%0.40427%0.266SS..Hα-helixtrans-57.9-50.8175.4178.164.6169.4177.13.9111Y68 D72 P219 I220 F225 D226 T227Y68-R223 HydrophobicContact CD1-CB 3.66Å; Y68-R223 HydrophobicContact CD1-CG 3.77Å; Y68-R223 HydrophobicContact CE1-CB 3.8Å; Y68-R223 HydrophobicContact CE1-CG 4.35Å; D72-R223 VanDerWaalsContact CG-NE 3.33Å; D72-R223 WeakPolarHBondContact OD1-CD 3.05Å; D72-R223 VanDerWaalsContact OD1-CG 3.27Å; D72-R223 WeakPolarHBondContact OD1-CG 3.49Å; D72-R223 IonicContact OD1-CZ 2.61Å; D72-R223 IonicContact OD1-NE 3.45Å; D72-R223 PolarHBondContact OD1-NE 3.42Å; D72-R223 IonicContact OD1-NH2 2.77Å; D72-R223 PolarHBondContact OD1-NH2 3.14Å; D72-R223 IonicContact OD2-CZ 3.74Å; D72-R223 IonicContact OD2-NE 3.08Å; D72-R223 PolarHBondContact OD2-NE 2.98Å; D72-R223 VanDerWaalsContact OD2-NE 3.1Å; D72-R223 IonicContact OD2-NH2 3.39Å; D72-R223 PolarHBondContact OD2-NH2 3.36Å; P219-R223 PolarHBondContact O-N 2.59Å; I220-R223 PolarHBondContact O-N 2.94Å; R223-F225 VanDerWaalsContact C-N 3.33Å; R223-F225 PolarHBondContact O-N 3.41Å; R223-D226 PolarHBondContact O-N 3.45Å; R223-T227 WeakPolarHBondContact O-CB 3.42Å; R223-T227 PolarHBondContact O-N 3Å; R223-T227 PolarHBondContact O-OG1 3.17Å
224Y98.8Very high97.8Very high1 Ų165.6 Ų65.60%0.00431%0.311CS..Hα-helixtrans-52.5-51.4176160.1-97.5000111.7L74 A75 H78 F196 L200 I220 F221 K222 T227 L228L74-Y224 HydrophobicContact CB-CD2 4.07Å; L74-Y224 HydrophobicContact CB-CE2 4.18Å; A75-Y224 HydrophobicContact CB-CD2 3.99Å; A75-Y224 HydrophobicContact CB-CE2 4.3Å; A75-Y224 WeakPolarHBondContact CB-O 3.37Å; H78-Y224 AromaticContact ND1-CE2 3.41Å; H78-Y224 WeakPolarHBondContact ND1-CE2 3.47Å; H78-Y224 AromaticContact ND1-CZ 3.49Å; H78-Y224 PolarHBondContact ND1-OH 3.43Å; F196-Y224 WeakPolarHBondContact CB-OH 3.22Å; F196-Y224 HydrophobicContact CD2-CE1 4.07Å; L200-Y224 HydrophobicContact CD1-CD1 3.86Å; L200-Y224 HydrophobicContact CD1-CD2 4.23Å; L200-Y224 HydrophobicContact CD1-CG 3.71Å; I220-Y224 PolarHBondContact O-N 3.09Å; F221-Y224 HydrophobicContact CD2-CD1 4.24Å; F221-Y224 HydrophobicContact CE2-CD1 4.07Å; F221-Y224 HydrophobicContact CE2-CE1 4.26Å; F221-Y224 WeakPolarHBondContact O-CB 3.43Å; F221-Y224 PolarHBondContact O-N 3.39Å; K222-Y224 PolarHBondContact O-N 2.86Å; Y224-T227 PolarHBondContact O-N 3.37Å; Y224-L228 HydrophobicContact CE1-CD2 4.33Å; Y224-L228 HydrophobicContact CE2-CD2 4.41Å; Y224-L228 WeakPolarHBondContact O-CB 3.37Å; Y224-L228 PolarHBondContact O-N 3.13Å; Y224-L228 WeakPolarHBondContact OH-CD2 3.34Å
225F98.6Very high97.8Very high13 Ų1363.9 Ų63.96%0.05732%0.315CS..Hα-helixtrans-67.8-42.1-176-175-92.8000112.6F221 K222 R223 L228 N229 I238 G239 F241 A244F221-F225 HydrophobicContact CE1-CB 4.25Å; F221-F225 WeakPolarHBondContact O-CB 3.34Å; F221-F225 PolarHBondContact O-N 3.34Å; K222-F225 PolarHBondContact O-N 3.05Å; R223-F225 VanDerWaalsContact C-N 3.33Å; R223-F225 PolarHBondContact O-N 3.41Å; F225-L228 PolarHBondContact O-N 3Å; F225-N229 VanDerWaalsContact CD1-ND2 3.27Å; F225-N229 WeakPolarHBondContact CD1-ND2 3.39Å; F225-N229 WeakPolarHBondContact CE1-ND2 3.36Å; F225-N229 WeakPolarHBondContact CZ-ND2 3.39Å; F225-N229 PolarHBondContact O-N 3.11Å; F225-N229 VanDerWaalsContact O-N 3.07Å; F225-N229 PolarHBondContact O-ND2 3.29Å; F225-I238 HydrophobicContact CD2-CD1 4.41Å; F225-I238 HydrophobicContact CE2-CD1 3.77Å; F225-I238 HydrophobicContact CE2-CG1 4.39Å; F225-I238 HydrophobicContact CZ-CD1 4.16Å; F225-I238 HydrophobicContact CZ-CG1 4.48Å; F225-G239 WeakPolarHBondContact CE2-O 3.19Å; F225-G239 WeakPolarHBondContact CZ-O 3.47Å; F225-F241 HydrophobicContact CB-CD2 4.2Å; F225-F241 HydrophobicContact CD1-CB 3.9Å; F225-F241 AromaticContact CD1-CD2 3.71Å; F225-F241 HydrophobicContact CD1-CD2 3.71Å; F225-F241 HydrophobicContact CD1-CG 4.3Å; F225-F241 HydrophobicContact CE1-CB 3.64Å; F225-F241 HydrophobicContact CE1-CD2 4.33Å; F225-F241 HydrophobicContact CG-CD2 4.02Å; F225-F241 HydrophobicContact CZ-CB 4.3Å; F225-A244 HydrophobicContact CD2-CB 3.8Å; F225-A244 HydrophobicContact CE2-CB 3.55Å; F225-A244 HydrophobicContact CZ-CB 4.42Å
226D98.6Very high97.7Very high59 Ų5959.4 Ų59.432%0.31630%0.299SS..Hα-helixtrans-64-46.5176.7-67-11.5000110.8K222 R223 L228 N229 Q230K222-D226 IonicContact NZ-OD1 2.76Å; K222-D226 PolarHBondContact NZ-OD1 3.06Å; K222-D226 IonicContact NZ-OD2 3.37Å; K222-D226 PolarHBondContact NZ-OD2 2.82Å; K222-D226 WeakPolarHBondContact O-CB 3.44Å; K222-D226 PolarHBondContact O-N 3.18Å; R223-D226 PolarHBondContact O-N 3.45Å; D226-L228 VanDerWaalsContact C-N 3.32Å; D226-L228 PolarHBondContact O-N 2.89Å; D226-N229 PolarHBondContact O-N 3.4Å; D226-Q230 WeakPolarHBondContact O-CG 3.45Å; D226-Q230 PolarHBondContact O-N 2.76Å; D226-Q230 VanDerWaalsContact O-N 3.09Å
227T98.6Very high97.4Very high14 Ų1462.3 Ų62.39%0.08633%0.326CS..Hα-helixtrans-61.8-41.3178-59.90000110.7D72 A75 R223 Y224 Q230 L231D72-T227 PolarHBondContact OD1-OG1 3.26Å; A75-T227 HydrophobicContact CB-CG2 3.67Å; R223-T227 WeakPolarHBondContact O-CB 3.42Å; R223-T227 PolarHBondContact O-N 3Å; R223-T227 PolarHBondContact O-OG1 3.17Å; Y224-T227 PolarHBondContact O-N 3.37Å; T227-Q230 PolarHBondContact O-N 3.1Å; T227-L231 HydrophobicContact CG2-CD1 3.98Å; T227-L231 HydrophobicContact CG2-CG 4.49Å; T227-L231 WeakPolarHBondContact O-CG 3.04Å; T227-L231 PolarHBondContact O-N 3.39Å; T227-L231 VanDerWaalsContact O-N 3.15Å
228L98.5Very high97.3Very high0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-61.9-48.9177.6178.554.6000111.7A75 H78 A79 M153 Y224 F225 D226 Q230 L231 L232 I238A75-L228 HydrophobicContact CB-CB 4.01Å; A75-L228 WeakPolarHBondContact O-CD1 3.14Å; H78-L228 HydrophobicContact CB-CD1 4.27Å; H78-L228 HydrophobicContact CB-CD2 4.48Å; A79-L228 HydrophobicContact CB-CD1 3.74Å; M153-L228 HydrophobicContact CE-CD2 3.28Å; M153-L228 HydrophobicContact CE-CG 4.28Å; M153-L228 HydrophobicContact SD-CD2 4.25Å; Y224-L228 HydrophobicContact CE1-CD2 4.33Å; Y224-L228 HydrophobicContact CE2-CD2 4.41Å; Y224-L228 WeakPolarHBondContact O-CB 3.37Å; Y224-L228 PolarHBondContact O-N 3.13Å; Y224-L228 WeakPolarHBondContact OH-CD2 3.34Å; F225-L228 PolarHBondContact O-N 3Å; D226-L228 VanDerWaalsContact C-N 3.32Å; D226-L228 PolarHBondContact O-N 2.89Å; L228-Q230 PolarHBondContact O-N 2.86Å; L228-L231 PolarHBondContact O-N 3.05Å; L228-L232 HydrophobicContact CD1-CD1 4.1Å; L228-L232 HydrophobicContact CD1-CD2 4.29Å; L228-L232 HydrophobicContact CD1-CG 3.99Å; L228-L232 HydrophobicContact CG-CD1 4.1Å; L228-L232 HydrophobicContact CG-CG 4.42Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 2.89Å; L228-I238 HydrophobicContact CD2-CD1 4.24Å; L228-I238 HydrophobicContact CG-CD1 4.29Å
229N97.5Very high97.1Very high69 Ų6958.3 Ų58.337%0.36931%0.313SS..Hα-helixtrans-59.7-32.3176.5-78.5-73.7000112.8F225 D226 L231 I238F225-N229 VanDerWaalsContact CD1-ND2 3.27Å; F225-N229 WeakPolarHBondContact CD1-ND2 3.39Å; F225-N229 WeakPolarHBondContact CE1-ND2 3.36Å; F225-N229 WeakPolarHBondContact CZ-ND2 3.39Å; F225-N229 PolarHBondContact O-N 3.11Å; F225-N229 VanDerWaalsContact O-N 3.07Å; F225-N229 PolarHBondContact O-ND2 3.29Å; D226-N229 PolarHBondContact O-N 3.4Å; N229-L231 VanDerWaalsContact C-N 3.32Å; N229-I238 WeakPolarHBondContact OD1-CD1 3.44Å; N229-I238 WeakPolarHBondContact OD1-CG1 2.89Å
230Q97.9Very high97.1Very high153 Ų15358.8 Ų58.872%0.71532%0.317SS*.Hα-helixtrans-71.9-26.6176.9-73.1175-8.400113.5D226 T227 L228D226-Q230 WeakPolarHBondContact O-CG 3.45Å; D226-Q230 PolarHBondContact O-N 2.76Å; D226-Q230 VanDerWaalsContact O-N 3.09Å; T227-Q230 PolarHBondContact O-N 3.1Å; L228-Q230 PolarHBondContact O-N 2.86Å
231L98.1Very high97.1Very high88 Ų8860.6 Ų60.646%0.46133%0.325SS..Hα-helixtrans-91.4-17.8-178.9-67173.6000112.8A76 A79 T227 L228 N229A76-L231 HydrophobicContact CB-CD1 4.03Å; A79-L231 HydrophobicContact CB-CB 3.68Å; A79-L231 HydrophobicContact CB-CD1 4.3Å; T227-L231 HydrophobicContact CG2-CD1 3.98Å; T227-L231 HydrophobicContact CG2-CG 4.49Å; T227-L231 WeakPolarHBondContact O-CG 3.04Å; T227-L231 PolarHBondContact O-N 3.39Å; T227-L231 VanDerWaalsContact O-N 3.15Å; L228-L231 PolarHBondContact O-N 3.05Å; N229-L231 VanDerWaalsContact C-N 3.32Å
232L98Very high97.1Very high16 Ų1666.3 Ų66.38%0.08436%0.355CS..SBendtrans-78.8139.3179.1-72.6176.8000111.5A79 L82 T83 L228 V236 I238A79-L232 HydrophobicContact CB-CD2 4.28Å; L82-L232 HydrophobicContact CB-CD2 4.1Å; L82-L232 HydrophobicContact CD1-CD1 4.3Å; L82-L232 HydrophobicContact CD1-CD2 3.87Å; T83-L232 HydrophobicContact CG2-CD2 4.09Å; L228-L232 HydrophobicContact CD1-CD1 4.1Å; L228-L232 HydrophobicContact CD1-CD2 4.29Å; L228-L232 HydrophobicContact CD1-CG 3.99Å; L228-L232 HydrophobicContact CG-CD1 4.1Å; L228-L232 HydrophobicContact CG-CG 4.42Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 2.89Å; L232-V236 HydrophobicContact CB-CB 4.48Å; L232-V236 HydrophobicContact CD1-CG1 4.23Å; L232-V236 HydrophobicContact CD2-CB 4.31Å; L232-V236 HydrophobicContact CD2-CG1 3.9Å; L232-I238 HydrophobicContact CD1-CD1 4.02Å; L232-I238 HydrophobicContact CD1-CG1 4.33Å; L232-I238 HydrophobicContact CD1-CG2 3.76Å
233P96.2Very high97Very high57 Ų5767.3 Ų67.337%0.3736%0.361SS..  trans-59.1152.4165.1-25.136.1000112.4T83 D235 V236T83-P233 VanDerWaalsContact CG2-CD 3.5Å; T83-P233 HydrophobicContact CG2-CG 3.93Å; P233-D235 WeakPolarHBondContact CB-OD1 3.47Å; P233-D235 PolarHBondContact O-N 3.36Å; P233-D235 VanDerWaalsContact O-N 3.11Å; P233-V236 HydrophobicContact CB-CG2 4.39Å; P233-V236 HydrophobicContact CG-CG2 4.42Å; P233-V236 PolarHBondContact O-N 3.05Å
234D94.5Very high97Very high178 Ų17862.2 Ų62.295%0.95234%0.342SS*.THydrogen-bonded Turntrans-59.9-24.2-178.5-69.1-27.8000113.8
235D94Very high97Very high143 Ų14363.5 Ų63.577%0.76535%0.347SS*.THydrogen-bonded Turntrans-83.3-11.2177.964.3-47.7000113.6P233P233-D235 WeakPolarHBondContact CB-OD1 3.47Å; P233-D235 PolarHBondContact O-N 3.36Å; P233-D235 VanDerWaalsContact O-N 3.11Å
236V94.5Very high96.9Very high40 Ų4064.1 Ų64.124%0.24236%0.357CS..  trans-96.995.2174.8-175.40000109.6T83 L232 P233T83-V236 HydrophobicContact CG2-CG2 4.34Å; L232-V236 HydrophobicContact CB-CB 4.48Å; L232-V236 HydrophobicContact CD1-CG1 4.23Å; L232-V236 HydrophobicContact CD2-CB 4.31Å; L232-V236 HydrophobicContact CD2-CG1 3.9Å; P233-V236 HydrophobicContact CB-CG2 4.39Å; P233-V236 HydrophobicContact CG-CG2 4.42Å; P233-V236 PolarHBondContact O-N 3.05Å
237S91.3Very high96.8Very high111 Ų11163.7 Ų63.778%0.77635%0.354SS*.  trans-88.4140177.7-168.80000112.3
238I96.2Very high96.8Very high19 Ų1963.1 Ų63.110%0.09735%0.35CS..  trans-127.9158.6173.165.1171.6000109.4M153 F225 L228 N229 L232M153-I238 HydrophobicContact CB-CG2 4.47Å; M153-I238 HydrophobicContact CE-CB 3.92Å; M153-I238 HydrophobicContact CE-CD1 3.57Å; M153-I238 HydrophobicContact CE-CG1 4.36Å; M153-I238 HydrophobicContact CE-CG2 3.52Å; M153-I238 HydrophobicContact CG-CG2 4.1Å; F225-I238 HydrophobicContact CD2-CD1 4.41Å; F225-I238 HydrophobicContact CE2-CD1 3.77Å; F225-I238 HydrophobicContact CE2-CG1 4.39Å; F225-I238 HydrophobicContact CZ-CD1 4.16Å; F225-I238 HydrophobicContact CZ-CG1 4.48Å; L228-I238 HydrophobicContact CD2-CD1 4.24Å; L228-I238 HydrophobicContact CG-CD1 4.29Å; N229-I238 WeakPolarHBondContact OD1-CD1 3.44Å; N229-I238 WeakPolarHBondContact OD1-CG1 2.89Å; L232-I238 HydrophobicContact CD1-CD1 4.02Å; L232-I238 HydrophobicContact CD1-CG1 4.33Å; L232-I238 HydrophobicContact CD1-CG2 3.76Å
239G95.4Very high96.7Very high13 Ų1368.4 Ų68.413%0.13437%0.37CS..  trans-59.4158.3179.400000112.6V152 F225V152-G239 PolarHBondContact O-N 3.17Å; F225-G239 WeakPolarHBondContact CE2-O 3.19Å; F225-G239 WeakPolarHBondContact CZ-O 3.47Å
240S97.4Very high96.7Very high58 Ų5867.1 Ų67.141%0.40636%0.363SS..  trans-61.6161.3-177.467.10000112.8D242 E243 A244S240-D242 PolarHBondContact O-N 3.39Å; S240-E243 WeakPolarHBondContact CB-OE2 3.39Å; S240-E243 PolarHBondContact N-OE2 3.45Å; S240-E243 PolarHBondContact O-N 3.31Å; S240-E243 VanDerWaalsContact OG-CD 3.27Å; S240-E243 VanDerWaalsContact OG-CG 3.31Å; S240-E243 WeakPolarHBondContact OG-CG 3.29Å; S240-E243 PolarHBondContact OG-N 3.09Å; S240-E243 PolarHBondContact OG-OE2 3.21Å; S240-A244 WeakPolarHBondContact O-CB 3.24Å; S240-A244 PolarHBondContact O-N 2.97Å
241F98.3Very high96.6Very high42 Ų4260.9 Ų60.918%0.18433%0.333CS..Hα-helixtrans-54-40.7176.8173.5-96.9000112.5K218 F221 K222 F225 Y245K218-F241 HydrophobicContact CG-CZ 4.42Å; F221-F241 HydrophobicContact CD1-CD2 4.5Å; F221-F241 AromaticContact CD1-CE2 3.79Å; F221-F241 HydrophobicContact CD1-CE2 3.79Å; F221-F241 HydrophobicContact CD1-CZ 4.45Å; F221-F241 HydrophobicContact CE1-CD2 4.39Å; F221-F241 HydrophobicContact CE1-CE2 4.11Å; K222-F241 HydrophobicContact CB-CE2 3.76Å; K222-F241 HydrophobicContact CB-CZ 4.11Å; K222-F241 HydrophobicContact CG-CD2 4.29Å; K222-F241 HydrophobicContact CG-CE2 3.72Å; K222-F241 HydrophobicContact CG-CZ 4.12Å; F225-F241 HydrophobicContact CB-CD2 4.2Å; F225-F241 HydrophobicContact CD1-CB 3.9Å; F225-F241 AromaticContact CD1-CD2 3.71Å; F225-F241 HydrophobicContact CD1-CD2 3.71Å; F225-F241 HydrophobicContact CD1-CG 4.3Å; F225-F241 HydrophobicContact CE1-CB 3.64Å; F225-F241 HydrophobicContact CE1-CD2 4.33Å; F225-F241 HydrophobicContact CG-CD2 4.02Å; F225-F241 HydrophobicContact CZ-CB 4.3Å; F241-Y245 HydrophobicContact CZ-CG 4.2Å; F241-Y245 WeakPolarHBondContact O-CB 3.49Å; F241-Y245 PolarHBondContact O-N 3.07Å
242D98.3Very high96.5Very high120 Ų12057 Ų5764%0.64231%0.313SS*.Hα-helixtrans-71-38.4-177.4-74.9-29000112.1S240 G246S240-D242 PolarHBondContact O-N 3.39Å; D242-G246 PolarHBondContact O-N 3.01Å
243E97.8Very high96.4Very high112 Ų11256.5 Ų56.552%0.52331%0.31SS..Hα-helixtrans-64.6-51.1172.7-69.4163.813900110.6V152 S240 Y245 G246 Q247V152-E243 HydrophobicContact CG2-CB 4.24Å; S240-E243 WeakPolarHBondContact CB-OE2 3.39Å; S240-E243 PolarHBondContact N-OE2 3.45Å; S240-E243 PolarHBondContact O-N 3.31Å; S240-E243 VanDerWaalsContact OG-CD 3.27Å; S240-E243 VanDerWaalsContact OG-CG 3.31Å; S240-E243 WeakPolarHBondContact OG-CG 3.29Å; S240-E243 PolarHBondContact OG-N 3.09Å; S240-E243 PolarHBondContact OG-OE2 3.21Å; E243-Y245 PolarHBondContact O-N 3.04Å; E243-G246 PolarHBondContact O-N 3.45Å; E243-Q247 WeakPolarHBondContact O-CG 3.22Å; E243-Q247 PolarHBondContact O-N 2.92Å
244A98.2Very high96.4Very high1 Ų155 Ų551%0.00830%0.298CS..Hα-helixtrans-59.3-45.8179.400000111.9V152 F196 F221 F225 S240 Q247 F248V152-A244 HydrophobicContact CG1-CB 3.65Å; F196-A244 HydrophobicContact CE2-CB 4.48Å; F196-A244 HydrophobicContact CZ-CB 4.24Å; F221-A244 HydrophobicContact CE1-CB 4.22Å; F221-A244 HydrophobicContact CZ-CB 3.99Å; F225-A244 HydrophobicContact CD2-CB 3.8Å; F225-A244 HydrophobicContact CE2-CB 3.55Å; F225-A244 HydrophobicContact CZ-CB 4.42Å; S240-A244 WeakPolarHBondContact O-CB 3.24Å; S240-A244 PolarHBondContact O-N 2.97Å; A244-Q247 PolarHBondContact O-N 3.5Å; A244-F248 VanDerWaalsContact O-CB 3.3Å; A244-F248 WeakPolarHBondContact O-CB 3.35Å; A244-F248 PolarHBondContact O-N 3.05Å
245Y98.3Very high96.4Very high27 Ų2747.4 Ų47.411%0.10626%0.257CS..Hα-helixtrans-70.2-34178.9-172.7-118.7000112.3K218 F221 F241 E243 F248 R249K218-Y245 HydrophobicContact CB-CE1 4.35Å; K218-Y245 HydrophobicContact CB-CE2 4.08Å; K218-Y245 VanDerWaalsContact CB-OH 3.32Å; K218-Y245 WeakPolarHBondContact CB-OH 3.42Å; K218-Y245 HydrophobicContact CD-CD1 4.39Å; K218-Y245 HydrophobicContact CD-CE1 3.72Å; K218-Y245 HydrophobicContact CG-CD1 4.46Å; K218-Y245 HydrophobicContact CG-CE1 3.83Å; K218-Y245 HydrophobicContact CG-CE2 3.98Å; F221-Y245 HydrophobicContact CB-CD2 4.12Å; F221-Y245 HydrophobicContact CB-CE2 4.19Å; F221-Y245 AromaticContact CD1-CD2 3.36Å; F221-Y245 HydrophobicContact CD1-CD2 3.36Å; F221-Y245 HydrophobicContact CD1-CE2 4.25Å; F221-Y245 HydrophobicContact CD1-CG 4.09Å; F221-Y245 AromaticContact CE1-CD2 3.91Å; F221-Y245 HydrophobicContact CE1-CD2 3.91Å; F221-Y245 HydrophobicContact CE1-CG 4.32Å; F221-Y245 AromaticContact CG-CD2 3.77Å; F221-Y245 HydrophobicContact CG-CD2 3.77Å; F221-Y245 HydrophobicContact CG-CE2 4.3Å; F241-Y245 HydrophobicContact CZ-CG 4.2Å; F241-Y245 WeakPolarHBondContact O-CB 3.49Å; F241-Y245 PolarHBondContact O-N 3.07Å; E243-Y245 PolarHBondContact O-N 3.04Å; Y245-F248 AromaticContact CD2-CD1 3.87Å; Y245-F248 HydrophobicContact CD2-CD1 3.87Å; Y245-F248 AromaticContact CE2-CD1 3.84Å; Y245-F248 HydrophobicContact CE2-CD1 3.84Å; Y245-F248 HydrophobicContact CE2-CE1 4.2Å; Y245-R249 HydrophobicContact CD1-CG 4.45Å; Y245-R249 HydrophobicContact CD2-CG 4.4Å; Y245-R249 HydrophobicContact CE1-CG 3.98Å; Y245-R249 HydrophobicContact CE2-CG 3.94Å; Y245-R249 WeakPolarHBondContact O-CG 3.41Å; Y245-R249 PolarHBondContact O-N 2.91Å
246G97.4Very high96.5Very high26 Ų2640.7 Ų40.727%0.26822%0.221SC..Hα-helixtrans-57.6-51.4171.300000111.6D242 E243 R249 N250D242-G246 PolarHBondContact O-N 3.01Å; E243-G246 PolarHBondContact O-N 3.45Å; G246-R249 PolarHBondContact O-N 2.99Å; G246-N250 PolarHBondContact O-N 3Å; G246-N250 VanDerWaalsContact O-N 3.13Å
247Q97.2Very high96.5Very high51 Ų5138.8 Ų38.824%0.23821%0.21CC..Hα-helixtrans-66.7-42.2178.7-63.3-60.1-14.900112.4G148 V152 F196 E243 A244 R249 N250 Y251G148-Q247 VanDerWaalsContact C-CD 3.47Å; G148-Q247 VanDerWaalsContact O-CG 3.25Å; G148-Q247 WeakPolarHBondContact O-CG 3.46Å; G148-Q247 PolarHBondContact O-NE2 3.31Å; V152-Q247 HydrophobicContact CG2-CB 4.45Å; V152-Q247 HydrophobicContact CG2-CG 3.82Å; F196-Q247 HydrophobicContact CZ-CB 4.46Å; E243-Q247 WeakPolarHBondContact O-CG 3.22Å; E243-Q247 PolarHBondContact O-N 2.92Å; A244-Q247 PolarHBondContact O-N 3.5Å; Q247-R249 VanDerWaalsContact C-N 3.35Å; Q247-R249 PolarHBondContact O-N 2.9Å; Q247-N250 PolarHBondContact O-N 2.88Å; Q247-Y251 PolarHBondContact O-N 2.7Å
248F97.7Very high96.6Very high1 Ų134.6 Ų34.60%0.00418%0.18CC..Hα-helixtrans-57.1-45.7174.8169.7-102.7000112.1F196 A197 L200 L204 T217 F221 A244 Y245 N250 Y251 L252F196-F248 HydrophobicContact CE2-CB 4.39Å; A197-F248 HydrophobicContact CB-CB 4.48Å; A197-F248 HydrophobicContact CB-CD2 3.78Å; L200-F248 HydrophobicContact CB-CE2 3.74Å; L200-F248 HydrophobicContact CB-CZ 4.34Å; L200-F248 HydrophobicContact CD1-CE2 4.43Å; L204-F248 HydrophobicContact CD1-CZ 3.73Å; T217-F248 HydrophobicContact CG2-CE1 3.67Å; T217-F248 HydrophobicContact CG2-CZ 4.2Å; F221-F248 HydrophobicContact CB-CD1 4.31Å; F221-F248 HydrophobicContact CB-CE1 4.14Å; F221-F248 HydrophobicContact CD2-CB 3.92Å; F221-F248 AromaticContact CD2-CD1 3.57Å; F221-F248 HydrophobicContact CD2-CD1 3.57Å; F221-F248 AromaticContact CD2-CD2 3.61Å; F221-F248 HydrophobicContact CD2-CD2 3.61Å; F221-F248 AromaticContact CD2-CE1 3.93Å; F221-F248 HydrophobicContact CD2-CE1 3.93Å; F221-F248 AromaticContact CD2-CE2 3.98Å; F221-F248 HydrophobicContact CD2-CE2 3.98Å; F221-F248 AromaticContact CD2-CG 3.39Å; F221-F248 HydrophobicContact CD2-CG 3.39Å; F221-F248 HydrophobicContact CD2-CZ 4.12Å; F221-F248 HydrophobicContact CE2-CB 3.45Å; F221-F248 VanDerWaalsContact CE2-CB 3.45Å; F221-F248 HydrophobicContact CE2-CD1 4.04Å; F221-F248 AromaticContact CE2-CD2 3.68Å; F221-F248 HydrophobicContact CE2-CD2 3.68Å; F221-F248 HydrophobicContact CE2-CE2 4.46Å; F221-F248 AromaticContact CE2-CG 3.43Å; F221-F248 HydrophobicContact CE2-CG 3.43Å; F221-F248 VanDerWaalsContact CE2-CG 3.43Å; F221-F248 AromaticContact CG-CD1 3.91Å; F221-F248 HydrophobicContact CG-CD1 3.91Å; F221-F248 HydrophobicContact CG-CE1 4.21Å; F221-F248 HydrophobicContact CG-CG 4.16Å; F221-F248 HydrophobicContact CZ-CB 3.81Å; F221-F248 HydrophobicContact CZ-CG 4.22Å; A244-F248 VanDerWaalsContact O-CB 3.3Å; A244-F248 WeakPolarHBondContact O-CB 3.35Å; A244-F248 PolarHBondContact O-N 3.05Å; Y245-F248 AromaticContact CD2-CD1 3.87Å; Y245-F248 HydrophobicContact CD2-CD1 3.87Å; Y245-F248 AromaticContact CE2-CD1 3.84Å; Y245-F248 HydrophobicContact CE2-CD1 3.84Å; Y245-F248 HydrophobicContact CE2-CE1 4.2Å; F248-N250 VanDerWaalsContact C-N 3.35Å; F248-N250 PolarHBondContact O-N 3.08Å; F248-Y251 PolarHBondContact O-N 3.16Å; F248-L252 HydrophobicContact CE1-CD2 4.17Å; F248-L252 HydrophobicContact CZ-CD2 4.2Å; F248-L252 VanDerWaalsContact O-CB 3.24Å; F248-L252 WeakPolarHBondContact O-CB 3.26Å; F248-L252 PolarHBondContact O-N 2.79Å
249R97.2Very high96.5Very high112 Ų11234.8 Ų34.842%0.42318%0.18SC..Hα-helixtrans-64.5-40177.6-75.5-161.7-60.4171.43.5112.5Y245 G246 Q247 L252 A253 Y294Y245-R249 HydrophobicContact CD1-CG 4.45Å; Y245-R249 HydrophobicContact CD2-CG 4.4Å; Y245-R249 HydrophobicContact CE1-CG 3.98Å; Y245-R249 HydrophobicContact CE2-CG 3.94Å; Y245-R249 WeakPolarHBondContact O-CG 3.41Å; Y245-R249 PolarHBondContact O-N 2.91Å; G246-R249 PolarHBondContact O-N 2.99Å; Q247-R249 VanDerWaalsContact C-N 3.35Å; Q247-R249 PolarHBondContact O-N 2.9Å; R249-L252 PolarHBondContact O-N 2.75Å; R249-A253 PolarHBondContact O-N 3.31Å; R249-A253 VanDerWaalsContact O-N 3.08Å; R249-Y294 HydrophobicContact CB-CE2 4.47Å
250N96.1Very high96.4Very high42 Ų4234.2 Ų34.223%0.22517%0.174CC..Hα-helixtrans-63.2-45.6176.5-174.549000111.2L145 G246 Q247 F248 A253 H254L145-N250 WeakPolarHBondContact CD1-ND2 3.43Å; G246-N250 PolarHBondContact O-N 3Å; G246-N250 VanDerWaalsContact O-N 3.13Å; Q247-N250 PolarHBondContact O-N 2.88Å; F248-N250 VanDerWaalsContact C-N 3.35Å; F248-N250 PolarHBondContact O-N 3.08Å; N250-A253 PolarHBondContact O-N 2.8Å; N250-H254 PolarHBondContact O-N 2.92Å; N250-H254 PolarHBondContact O-ND1 3.12Å; N250-H254 PolarHBondContact OD1-CE1 2.84Å
251Y96Very high96.3Very high22 Ų2231.4 Ų31.49%0.08616%0.155CC..Hα-helixtrans-62.3-47.5175.2-165.7-86.8000111.8F95 L145 F149 P195 A197 E198 C201 Q247 F248 A253 H254 H255F95-Y251 HydrophobicContact CZ-CE2 4.48Å; L145-Y251 HydrophobicContact CD1-CD2 3.79Å; L145-Y251 HydrophobicContact CD1-CG 4.36Å; L145-Y251 HydrophobicContact CD2-CD2 3.64Å; L145-Y251 HydrophobicContact CD2-CE2 3.89Å; L145-Y251 HydrophobicContact CD2-CG 4.48Å; L145-Y251 HydrophobicContact CG-CD2 3.7Å; L145-Y251 HydrophobicContact CG-CE2 4.23Å; F149-Y251 HydrophobicContact CD1-CD2 4.44Å; F149-Y251 HydrophobicContact CE1-CE2 4.41Å; P195-Y251 HydrophobicContact CB-CE2 4.25Å; P195-Y251 HydrophobicContact CG-CD2 4.19Å; P195-Y251 HydrophobicContact CG-CE1 4.4Å; P195-Y251 HydrophobicContact CG-CE2 3.48Å; P195-Y251 VanDerWaalsContact CG-CE2 3.48Å; A197-Y251 HydrophobicContact CB-CD1 4.11Å; A197-Y251 HydrophobicContact CB-CG 4.13Å; E198-Y251 HydrophobicContact CB-CE1 4.28Å; E198-Y251 HydrophobicContact CG-CE1 4.42Å; E198-Y251 PolarHBondContact OE2-OH 3.42Å; C201-Y251 HydrophobicContact CB-CD1 4.22Å; C201-Y251 HydrophobicContact CB-CE1 4.41Å; Q247-Y251 PolarHBondContact O-N 2.7Å; F248-Y251 PolarHBondContact O-N 3.16Å; Y251-A253 VanDerWaalsContact C-N 3.25Å; Y251-A253 PolarHBondContact O-N 3.35Å; Y251-H254 PolarHBondContact O-N 2.95Å; Y251-H255 HydrophobicContact CD1-CB 4.3Å; Y251-H255 HydrophobicContact CE1-CB 4.33Å; Y251-H255 VanDerWaalsContact O-CB 3.23Å; Y251-H255 WeakPolarHBondContact O-CB 3.39Å; Y251-H255 PolarHBondContact O-N 3.22Å
252L97Very high96.1Very high7 Ų732.2 Ų32.24%0.03716%0.161CC..Hα-helixtrans-56.4-39.5178.7-175.266.6000112.3C201 L204 T217 F248 R249 Y256C201-L252 HydrophobicContact CB-CD1 3.78Å; C201-L252 VanDerWaalsContact SG-CD1 3.53Å; L204-L252 HydrophobicContact CB-CD1 4.23Å; L204-L252 HydrophobicContact CD1-CD1 4.08Å; L204-L252 HydrophobicContact CD1-CD2 4.2Å; T217-L252 HydrophobicContact CG2-CD2 3.94Å; F248-L252 HydrophobicContact CE1-CD2 4.17Å; F248-L252 HydrophobicContact CZ-CD2 4.2Å; F248-L252 VanDerWaalsContact O-CB 3.24Å; F248-L252 WeakPolarHBondContact O-CB 3.26Å; F248-L252 PolarHBondContact O-N 2.79Å; R249-L252 PolarHBondContact O-N 2.75Å; L252-Y256 HydrophobicContact CD1-CD1 4Å; L252-Y256 HydrophobicContact CD1-CE1 3.39Å; L252-Y256 HydrophobicContact CD1-CE2 4.15Å; L252-Y256 VanDerWaalsContact CD1-CZ 3.48Å; L252-Y256 HydrophobicContact CD2-CE2 4.13Å; L252-Y256 HydrophobicContact CG-CD1 4.44Å; L252-Y256 HydrophobicContact CG-CD2 4.3Å; L252-Y256 HydrophobicContact CG-CE1 4.01Å; L252-Y256 HydrophobicContact CG-CE2 3.84Å; L252-Y256 WeakPolarHBondContact O-CB 3.49Å; L252-Y256 VanDerWaalsContact O-CG 3.25Å; L252-Y256 PolarHBondContact O-N 3.05Å
253A96.4Very high96Very high4 Ų427.7 Ų27.73%0.03314%0.136CC..Hα-helixtrans-67.7-45.2178.600000112.5R249 N250 Y251 V257 Y294 L295R249-A253 PolarHBondContact O-N 3.31Å; R249-A253 VanDerWaalsContact O-N 3.08Å; N250-A253 PolarHBondContact O-N 2.8Å; Y251-A253 VanDerWaalsContact C-N 3.25Å; Y251-A253 PolarHBondContact O-N 3.35Å; A253-V257 WeakPolarHBondContact O-CG2 3.18Å; A253-V257 PolarHBondContact O-N 2.94Å; A253-Y294 HydrophobicContact CB-CD1 3.32Å; A253-Y294 HydrophobicContact CB-CE1 4.1Å; A253-Y294 HydrophobicContact CB-CG 3.8Å; A253-L295 HydrophobicContact CB-CD1 4.47Å; A253-L295 HydrophobicContact CB-CD2 4.03Å; A253-L295 HydrophobicContact CB-CG 3.99Å
254H94.8Very high95.9Very high25 Ų2522.3 Ų22.312%0.11611%0.112CC..Hα-helixtrans-61.5-46.5173.7-7381.3000110.9L145 N250 Y251 Y256 V257 V258 L295L145-H254 HydrophobicContact CD2-CB 4.03Å; N250-H254 PolarHBondContact O-N 2.92Å; N250-H254 PolarHBondContact O-ND1 3.12Å; N250-H254 PolarHBondContact OD1-CE1 2.84Å; Y251-H254 PolarHBondContact O-N 2.95Å; H254-Y256 PolarHBondContact O-N 3.28Å; H254-V257 PolarHBondContact O-N 3.23Å; H254-V258 WeakPolarHBondContact O-CB 3.19Å; H254-V258 WeakPolarHBondContact O-CG2 2.92Å; H254-V258 PolarHBondContact O-N 2.87Å; H254-L295 WeakPolarHBondContact CE1-CD2 3.44Å
255H94.7Very high95.7Very high19 Ų1922.8 Ų22.89%0.08811%0.114CC..Hα-helixtrans-57.2-51.6178.5-176.184.9000111.3C201 N202 Y251 V257 V258 I259C201-H255 HydrophobicContact CB-CB 4.17Å; N202-H255 PolarHBondContact OD1-CE1 3.45Å; N202-H255 PolarHBondContact OD1-NE2 3.46Å; Y251-H255 HydrophobicContact CD1-CB 4.3Å; Y251-H255 HydrophobicContact CE1-CB 4.33Å; Y251-H255 VanDerWaalsContact O-CB 3.23Å; Y251-H255 WeakPolarHBondContact O-CB 3.39Å; Y251-H255 PolarHBondContact O-N 3.22Å; H255-V257 VanDerWaalsContact C-N 3.25Å; H255-V257 PolarHBondContact O-N 2.87Å; H255-V258 PolarHBondContact O-N 3.42Å; H255-I259 VanDerWaalsContact O-CB 3.29Å; H255-I259 WeakPolarHBondContact O-CB 3.4Å; H255-I259 WeakPolarHBondContact O-CG2 3.23Å; H255-I259 PolarHBondContact O-N 3.19Å
256Y96.4Very high95.5Very high2 Ų224.7 Ų24.71%0.00813%0.129CC..Hα-helixtrans-56.9-34.6177.7-78.6-7.8000114.5L204 L252 H254 S287 Q290L204-Y256 HydrophobicContact CB-CE1 4.35Å; L252-Y256 HydrophobicContact CD1-CD1 4Å; L252-Y256 HydrophobicContact CD1-CE1 3.39Å; L252-Y256 HydrophobicContact CD1-CE2 4.15Å; L252-Y256 VanDerWaalsContact CD1-CZ 3.48Å; L252-Y256 HydrophobicContact CD2-CE2 4.13Å; L252-Y256 HydrophobicContact CG-CD1 4.44Å; L252-Y256 HydrophobicContact CG-CD2 4.3Å; L252-Y256 HydrophobicContact CG-CE1 4.01Å; L252-Y256 HydrophobicContact CG-CE2 3.84Å; L252-Y256 WeakPolarHBondContact O-CB 3.49Å; L252-Y256 VanDerWaalsContact O-CG 3.25Å; L252-Y256 PolarHBondContact O-N 3.05Å; H254-Y256 PolarHBondContact O-N 3.28Å; Y256-S287 WeakPolarHBondContact CB-O 3.29Å; Y256-S287 WeakPolarHBondContact CD2-O 3.35Å; Y256-Q290 HydrophobicContact CD2-CB 4.35Å; Y256-Q290 HydrophobicContact CD2-CG 4.37Å; Y256-Q290 HydrophobicContact CE2-CG 4.24Å
257V95.2Very high95.4Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-74.5-51.9177.8170.30000110.1I132 L135 A253 H254 H255 S260 Y288 A292 L295 L297I132-V257 HydrophobicContact CG1-CG1 3.78Å; L135-V257 HydrophobicContact CD2-CB 4.18Å; L135-V257 HydrophobicContact CD2-CG1 3.79Å; A253-V257 WeakPolarHBondContact O-CG2 3.18Å; A253-V257 PolarHBondContact O-N 2.94Å; H254-V257 PolarHBondContact O-N 3.23Å; H255-V257 VanDerWaalsContact C-N 3.25Å; H255-V257 PolarHBondContact O-N 2.87Å; V257-S260 PolarHBondContact O-OG 3.01Å; V257-Y288 HydrophobicContact CG1-CD2 4.48Å; V257-Y288 HydrophobicContact CG1-CE2 4.05Å; V257-Y288 HydrophobicContact CG2-CD2 4.47Å; V257-Y288 HydrophobicContact CG2-CE2 4.46Å; V257-A292 HydrophobicContact CG2-CB 4.28Å; V257-L295 HydrophobicContact CG2-CD1 4.09Å; V257-L297 HydrophobicContact CG1-CD1 4.17Å; V257-L297 HydrophobicContact CG2-CD1 4.38Å
258V92.4Very high95.3Very high24 Ų2424.1 Ų24.115%0.14512%0.117CC..Hα-helixtrans-66.4-49.8-175169.20000111.9M106 L135 L136 H254 H255 S260M106-V258 HydrophobicContact CE-CG1 3.78Å; M106-V258 WeakPolarHBondContact CE-O 3.27Å; M106-V258 HydrophobicContact CG-CG1 4.34Å; M106-V258 VanDerWaalsContact SD-O 3.37Å; L135-V258 HydrophobicContact CD2-CG2 4.07Å; L136-V258 HydrophobicContact CD2-CG1 3.74Å; L136-V258 HydrophobicContact CD2-CG2 3.95Å; L136-V258 HydrophobicContact CG-CG2 4.27Å; H254-V258 WeakPolarHBondContact O-CB 3.19Å; H254-V258 WeakPolarHBondContact O-CG2 2.92Å; H254-V258 PolarHBondContact O-N 2.87Å; H255-V258 PolarHBondContact O-N 3.42Å; V258-S260 PolarHBondContact O-N 2.78Å
259I93.5Very high95.1Very high22 Ų2229.5 Ų29.511%0.11315%0.145CC..Hα-helixtrans-69.6-17.6-172.7-15268.4000113M106 H255 C261 L262 D263M106-I259 HydrophobicContact CE-CD1 4.49Å; H255-I259 VanDerWaalsContact O-CB 3.29Å; H255-I259 WeakPolarHBondContact O-CB 3.4Å; H255-I259 WeakPolarHBondContact O-CG2 3.23Å; H255-I259 PolarHBondContact O-N 3.19Å; I259-C261 VanDerWaalsContact C-N 3.25Å; I259-C261 PolarHBondContact O-N 3.39Å; I259-C261 VanDerWaalsContact O-N 3.13Å; I259-L262 HydrophobicContact CD1-CB 4.3Å; I259-L262 HydrophobicContact CD1-CD2 3.62Å; I259-L262 HydrophobicContact CD1-CG 4.5Å; I259-L262 HydrophobicContact CG1-CD2 4.49Å; I259-L262 PolarHBondContact O-N 3.45Å; I259-D263 PolarHBondContact O-N 2.88Å
260S95.1Very high95Very high1 Ų126.3 Ų26.31%0.00714%0.136CC..Hα-helixtrans-56.5-35.2-172.765.20000114.2I132 V257 V258 A264 I284I132-S260 WeakPolarHBondContact CD1-OG 3.31Å; V257-S260 PolarHBondContact O-OG 3.01Å; V258-S260 PolarHBondContact O-N 2.78Å; S260-A264 VanDerWaalsContact O-CB 3.29Å; S260-A264 WeakPolarHBondContact O-CB 3.27Å; S260-A264 PolarHBondContact O-N 2.83Å; S260-A264 VanDerWaalsContact O-N 3.07Å; S260-I284 WeakPolarHBondContact O-CG2 3.27Å
261C95.4Very high94.9Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-75.6-41.4177.2-66.70000111.8M106 M109 I110 T113 I259 A264 V265M106-C261 HydrophobicContact SD-CB 4.17Å; M109-C261 HydrophobicContact CB-CB 4.32Å; I110-C261 HydrophobicContact CG1-CB 4.08Å; T113-C261 WeakPolarHBondContact OG1-CA 3.38Å; T113-C261 PolarHBondContact OG1-O 3.04Å; T113-C261 VanDerWaalsContact OG1-O 3.12Å; I259-C261 VanDerWaalsContact C-N 3.25Å; I259-C261 PolarHBondContact O-N 3.39Å; I259-C261 VanDerWaalsContact O-N 3.13Å; C261-A264 PolarHBondContact O-N 3.18Å; C261-V265 WeakPolarHBondContact O-CG2 3.27Å; C261-V265 PolarHBondContact O-N 2.77Å
262L93.9Very high94.9Very high59 Ų5933.6 Ų33.631%0.30918%0.178SC..Hα-helixtrans-60.7-50.2174.3178.666.3000110.8M106 M109 I259 A264 V265 T266M106-L262 HydrophobicContact CE-CB 3.83Å; M106-L262 HydrophobicContact SD-CB 4.21Å; M109-L262 HydrophobicContact CE-CD1 4Å; M109-L262 HydrophobicContact CG-CD1 3.94Å; M109-L262 HydrophobicContact SD-CD1 4.16Å; I259-L262 HydrophobicContact CD1-CB 4.3Å; I259-L262 HydrophobicContact CD1-CD2 3.62Å; I259-L262 HydrophobicContact CD1-CG 4.5Å; I259-L262 HydrophobicContact CG1-CD2 4.49Å; I259-L262 PolarHBondContact O-N 3.45Å; L262-A264 VanDerWaalsContact C-N 3.25Å; L262-A264 PolarHBondContact O-N 3.09Å; L262-V265 PolarHBondContact O-N 2.96Å; L262-V265 VanDerWaalsContact O-N 3.12Å; L262-T266 PolarHBondContact O-N 2.79Å; L262-T266 PolarHBondContact O-OG1 3.4Å; L262-T266 VanDerWaalsContact O-OG1 3.1Å
263D94.9Very high94.8Very high24 Ų2436.8 Ų36.813%0.12820%0.201CC..Hα-helixtrans-57.1-40.7176.9-75.6-15.2000111.6C206 I259 T266 V267 I284C206-D263 PolarHBondContact SG-OD2 3.35Å; I259-D263 PolarHBondContact O-N 2.88Å; D263-T266 PolarHBondContact O-N 3.16Å; D263-V267 WeakPolarHBondContact O-CB 3.31Å; D263-V267 VanDerWaalsContact O-CG2 3.26Å; D263-V267 WeakPolarHBondContact O-CG2 3.23Å; D263-V267 PolarHBondContact O-N 3.25Å; D263-I284 HydrophobicContact CB-CD1 3.69Å; D263-I284 HydrophobicContact CB-CG1 3.76Å
264A95.7Very high94.6Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-64-42.9177.900000112T113 L124 S260 C261 L262 W268 F281 I284T113-A264 HydrophobicContact CG2-CB 3.74Å; L124-A264 HydrophobicContact CD1-CB 3.96Å; S260-A264 VanDerWaalsContact O-CB 3.29Å; S260-A264 WeakPolarHBondContact O-CB 3.27Å; S260-A264 PolarHBondContact O-N 2.83Å; S260-A264 VanDerWaalsContact O-N 3.07Å; C261-A264 PolarHBondContact O-N 3.18Å; L262-A264 VanDerWaalsContact C-N 3.25Å; L262-A264 PolarHBondContact O-N 3.09Å; A264-W268 WeakPolarHBondContact O-CB 3.24Å; A264-W268 PolarHBondContact O-N 3.34Å; A264-F281 HydrophobicContact CB-CE1 4.26Å; A264-I284 HydrophobicContact CB-CD1 4.49Å
265V95.6Very high94.6Very high10 Ų1041 Ų416%0.06124%0.237CC..Hα-helixtrans-64-44175.31750000111M109 I112 I117 C261 L262 W268 N269M109-V265 HydrophobicContact CB-CG2 4.35Å; M109-V265 HydrophobicContact SD-CB 3.97Å; M109-V265 HydrophobicContact SD-CG1 3.84Å; M109-V265 HydrophobicContact SD-CG2 3.88Å; I112-V265 HydrophobicContact CB-CG2 4.03Å; I112-V265 HydrophobicContact CG2-CG2 3.79Å; I117-V265 HydrophobicContact CD1-CB 4.24Å; I117-V265 HydrophobicContact CD1-CG2 3.73Å; C261-V265 WeakPolarHBondContact O-CG2 3.27Å; C261-V265 PolarHBondContact O-N 2.77Å; L262-V265 PolarHBondContact O-N 2.96Å; L262-V265 VanDerWaalsContact O-N 3.12Å; V265-W268 WeakPolarHBondContact O-CB 3.36Å; V265-W268 PolarHBondContact O-N 3.15Å; V265-N269 PolarHBondContact O-N 3.23Å; V265-N269 PolarHBondContact O-ND2 3.42Å
266T94.1Very high94.6Very high67 Ų6741 Ų4141%0.41124%0.238SC..Hα-helixtrans-59.2-52177.2-61.30000110.8L262 D263 W268 N269 M270L262-T266 PolarHBondContact O-N 2.79Å; L262-T266 PolarHBondContact O-OG1 3.4Å; L262-T266 VanDerWaalsContact O-OG1 3.1Å; D263-T266 PolarHBondContact O-N 3.16Å; T266-W268 VanDerWaalsContact C-N 3.31Å; T266-W268 PolarHBondContact O-N 3.37Å; T266-N269 PolarHBondContact O-N 3.49Å; T266-M270 HydrophobicContact CG2-CE 3.72Å; T266-M270 WeakPolarHBondContact O-CG 3.25Å; T266-M270 PolarHBondContact O-N 3.29Å; T266-M270 VanDerWaalsContact O-N 3.16Å
267V94.6Very high94.5Very high4 Ų443 Ų432%0.02425%0.247CC..Hα-helixtrans-61-38.9176.9171.60000112.3D263 N269 M270 K277 L280 F281 I284D263-V267 WeakPolarHBondContact O-CB 3.31Å; D263-V267 VanDerWaalsContact O-CG2 3.26Å; D263-V267 WeakPolarHBondContact O-CG2 3.23Å; D263-V267 PolarHBondContact O-N 3.25Å; V267-N269 VanDerWaalsContact C-N 3.3Å; V267-N269 PolarHBondContact O-N 2.96Å; V267-M270 HydrophobicContact CG2-CE 4.41Å; V267-M270 PolarHBondContact O-N 2.94Å; V267-K277 HydrophobicContact CG1-CB 4.09Å; V267-K277 HydrophobicContact CG1-CG 4.26Å; V267-L280 HydrophobicContact CB-CB 4.44Å; V267-L280 HydrophobicContact CG1-CB 3.84Å; V267-L280 HydrophobicContact CG1-CD1 4.23Å; V267-L280 HydrophobicContact CG2-CB 3.65Å; V267-L280 HydrophobicContact CG2-CD1 3.89Å; V267-L280 HydrophobicContact CG2-CG 4.38Å; V267-F281 HydrophobicContact CB-CD1 4.37Å; V267-F281 HydrophobicContact CB-CE1 3.88Å; V267-F281 HydrophobicContact CB-CZ 4.22Å; V267-F281 HydrophobicContact CG1-CD1 3.98Å; V267-F281 HydrophobicContact CG1-CD2 4.28Å; V267-F281 HydrophobicContact CG1-CE1 3.65Å; V267-F281 HydrophobicContact CG1-CE2 3.98Å; V267-F281 HydrophobicContact CG1-CG 4.28Å; V267-F281 HydrophobicContact CG1-CZ 3.65Å; V267-I284 HydrophobicContact CB-CD1 4.42Å; V267-I284 HydrophobicContact CG2-CD1 3.87Å
268W94.6Very high94.5Very high62 Ų6246.6 Ų46.624%0.23527%0.266CS..Hα-helixtrans-60-42.1178.1176.8-98.9000111.9I117 E120 A264 V265 T266 K277 F281I117-W268 HydrophobicContact CD1-CB 3.6Å; I117-W268 HydrophobicContact CD1-CG 3.88Å; I117-W268 HydrophobicContact CG1-CB 4Å; I117-W268 HydrophobicContact CG1-CD2 4.01Å; I117-W268 HydrophobicContact CG1-CE3 4.44Å; I117-W268 HydrophobicContact CG1-CG 3.78Å; I117-W268 HydrophobicContact CG2-CB 4.31Å; I117-W268 HydrophobicContact CG2-CD2 4.3Å; I117-W268 HydrophobicContact CG2-CE3 3.92Å; I117-W268 HydrophobicContact CG2-CG 4.47Å; E120-W268 HydrophobicContact CB-CH2 3.65Å; E120-W268 HydrophobicContact CB-CZ3 3.49Å; E120-W268 VanDerWaalsContact CB-CZ3 3.49Å; E120-W268 HydrophobicContact CG-CH2 3.43Å; E120-W268 VanDerWaalsContact CG-CH2 3.43Å; E120-W268 HydrophobicContact CG-CZ2 4.24Å; E120-W268 HydrophobicContact CG-CZ3 3.83Å; A264-W268 WeakPolarHBondContact O-CB 3.24Å; A264-W268 PolarHBondContact O-N 3.34Å; V265-W268 WeakPolarHBondContact O-CB 3.36Å; V265-W268 PolarHBondContact O-N 3.15Å; T266-W268 VanDerWaalsContact C-N 3.31Å; T266-W268 PolarHBondContact O-N 3.37Å; W268-K277 PolarHBondContact O-NZ 3.2Å; W268-F281 HydrophobicContact CB-CZ 4.34Å; W268-F281 HydrophobicContact CE3-CZ 4.28Å
269N94.7Very high94.5Very high113 Ų11346.9 Ų46.960%0.60427%0.271SS*.Hα-helixtrans-81.9-10.5-178.8-68-31.2000114.3V265 T266 V267V265-N269 PolarHBondContact O-N 3.23Å; V265-N269 PolarHBondContact O-ND2 3.42Å; T266-N269 PolarHBondContact O-N 3.49Å; V267-N269 VanDerWaalsContact C-N 3.3Å; V267-N269 PolarHBondContact O-N 2.96Å
270M94.1Very high94.6Very high45 Ų4546 Ų4622%0.22227%0.266CS..  trans-63.3136.4177.2-73.6178.7-172.500112I58 T266 V267 V272 K277 L280I58-M270 HydrophobicContact CD1-CE 3.81Å; I58-M270 HydrophobicContact CD1-SD 3.93Å; T266-M270 HydrophobicContact CG2-CE 3.72Å; T266-M270 WeakPolarHBondContact O-CG 3.25Å; T266-M270 PolarHBondContact O-N 3.29Å; T266-M270 VanDerWaalsContact O-N 3.16Å; V267-M270 HydrophobicContact CG2-CE 4.41Å; V267-M270 PolarHBondContact O-N 2.94Å; M270-V272 VanDerWaalsContact C-N 3.32Å; M270-V272 HydrophobicContact CB-CG1 4.28Å; M270-V272 HydrophobicContact CB-CG2 3.81Å; M270-V272 PolarHBondContact O-N 3.49Å; M270-V272 VanDerWaalsContact O-N 3.12Å; M270-K277 WeakPolarHBondContact O-CE 3.35Å; M270-K277 PolarHBondContact O-NZ 3.15Å; M270-L280 HydrophobicContact SD-CD1 3.98Å
271D94.7Very high94.6Very high168 Ų16846.1 Ų46.190%0.89827%0.267SS*.  trans-84.775.8169.3-170.822.9000110.6
272V94.2Very high94.6Very high50 Ų5049.2 Ų49.230%0.30328%0.283SS..SBendtrans-138.8158.3-179.8-63.20000110.3M270 V276 K277M270-V272 VanDerWaalsContact C-N 3.32Å; M270-V272 HydrophobicContact CB-CG1 4.28Å; M270-V272 HydrophobicContact CB-CG2 3.81Å; M270-V272 PolarHBondContact O-N 3.49Å; M270-V272 VanDerWaalsContact O-N 3.12Å; V272-V276 HydrophobicContact CB-CB 4Å; V272-V276 HydrophobicContact CB-CG1 4.02Å; V272-V276 HydrophobicContact CB-CG2 4.4Å; V272-V276 HydrophobicContact CG1-CG1 4.44Å; V272-V276 HydrophobicContact CG2-CB 3.84Å; V272-V276 HydrophobicContact CG2-CG1 3.75Å; V272-K277 HydrophobicContact CG2-CG 3.7Å
273S95.2Very high94.7Very high74 Ų7447 Ų4752%0.51727%0.271SS..  trans-56.5151.4177.3670000112.8G275 V276 K277S273-G275 PolarHBondContact O-N 3.02Å; S273-V276 WeakPolarHBondContact O-CA 3.03Å; S273-V276 WeakPolarHBondContact O-CB 3.32Å; S273-V276 PolarHBondContact O-N 3.38Å; S273-V276 VanDerWaalsContact OG-CG2 3.29Å; S273-V276 WeakPolarHBondContact OG-CG2 3.4Å; S273-K277 PolarHBondContact O-N 2.83Å; S273-K277 VanDerWaalsContact O-N 3.16Å
274S93.4Very high94.7Very high92 Ų9246 Ų4664%0.64327%0.265SS*.Hα-helixtrans-51.7-42.8176.753.10000112.6V276 K277 D278S274-V276 PolarHBondContact O-N 3.32Å; S274-K277 PolarHBondContact O-N 2.77Å; S274-K277 VanDerWaalsContact O-N 3.07Å; S274-D278 PolarHBondContact O-N 3.5Å
275G93.8Very high94.7Very high25 Ų2546.8 Ų46.826%0.25827%0.271SS..Hα-helixtrans-67.1-16.3177.800000114.8K59 S273K59-G275 VanDerWaalsContact CE-O 3.28Å; K59-G275 WeakPolarHBondContact CE-O 3.37Å; S273-G275 PolarHBondContact O-N 3.02Å
276V95Very high94.7Very high18 Ų1846.8 Ų46.811%0.10927%0.272CS..Hα-helixtrans-80-50.1167.1177.70000109.2I58 K59 V272 S273 S274 D278 A279 L280I58-V276 HydrophobicContact CG2-CG1 3.65Å; K59-V276 HydrophobicContact CB-CG1 4.26Å; K59-V276 HydrophobicContact CB-CG2 4.08Å; K59-V276 HydrophobicContact CD-CG2 3.93Å; K59-V276 HydrophobicContact CG-CG2 4.39Å; V272-V276 HydrophobicContact CB-CB 4Å; V272-V276 HydrophobicContact CB-CG1 4.02Å; V272-V276 HydrophobicContact CB-CG2 4.4Å; V272-V276 HydrophobicContact CG1-CG1 4.44Å; V272-V276 HydrophobicContact CG2-CB 3.84Å; V272-V276 HydrophobicContact CG2-CG1 3.75Å; S273-V276 WeakPolarHBondContact O-CA 3.03Å; S273-V276 WeakPolarHBondContact O-CB 3.32Å; S273-V276 PolarHBondContact O-N 3.38Å; S273-V276 VanDerWaalsContact OG-CG2 3.29Å; S273-V276 WeakPolarHBondContact OG-CG2 3.4Å; S274-V276 PolarHBondContact O-N 3.32Å; V276-D278 VanDerWaalsContact C-N 3.31Å; V276-D278 PolarHBondContact O-N 2.99Å; V276-A279 PolarHBondContact O-N 2.84Å; V276-A279 VanDerWaalsContact O-N 3.13Å; V276-L280 HydrophobicContact CG1-CD1 3.98Å; V276-L280 HydrophobicContact CG1-CG 4.46Å; V276-L280 WeakPolarHBondContact O-CG 3.25Å; V276-L280 PolarHBondContact O-N 3.33Å; V276-L280 VanDerWaalsContact O-N 3.12Å
277K95Very high94.8Very high46 Ų4643.7 Ų43.720%0.225%0.253CS..Hα-helixtrans-55-46.4178.3-63.1-166.4179.1-172.90111.9V267 W268 M270 V272 S273 S274 A279 L280 F281V267-K277 HydrophobicContact CG1-CB 4.09Å; V267-K277 HydrophobicContact CG1-CG 4.26Å; W268-K277 PolarHBondContact O-NZ 3.2Å; M270-K277 WeakPolarHBondContact O-CE 3.35Å; M270-K277 PolarHBondContact O-NZ 3.15Å; V272-K277 HydrophobicContact CG2-CG 3.7Å; S273-K277 PolarHBondContact O-N 2.83Å; S273-K277 VanDerWaalsContact O-N 3.16Å; S274-K277 PolarHBondContact O-N 2.77Å; S274-K277 VanDerWaalsContact O-N 3.07Å; K277-A279 VanDerWaalsContact C-N 3.32Å; K277-A279 PolarHBondContact O-N 2.97Å; K277-L280 PolarHBondContact O-N 3.17Å; K277-F281 HydrophobicContact CB-CD2 4.23Å; K277-F281 HydrophobicContact CB-CE2 3.94Å; K277-F281 VanDerWaalsContact O-CD2 3.24Å; K277-F281 WeakPolarHBondContact O-CD2 3.46Å; K277-F281 WeakPolarHBondContact O-CG 3.24Å; K277-F281 PolarHBondContact O-N 3.39Å
278D94.2Very high94.9Very high75 Ų7543.9 Ų43.940%0.40125%0.253SS..Hα-helixtrans-58-43178-74.9-22.8000112.8S274 V276 L280 D282S274-D278 PolarHBondContact O-N 3.5Å; V276-D278 VanDerWaalsContact C-N 3.31Å; V276-D278 PolarHBondContact O-N 2.99Å; D278-L280 VanDerWaalsContact C-N 3.27Å; D278-L280 PolarHBondContact O-N 3.23Å; D278-D282 WeakPolarHBondContact O-CB 3.24Å; D278-D282 PolarHBondContact O-N 3.3Å
279A93.7Very high95Very high30 Ų3044.4 Ų44.425%0.24826%0.263CS..Hα-helixtrans-66.7-30.8178.500000112.1K59 V276 K277 R283K59-A279 HydrophobicContact CG-CB 4.23Å; V276-A279 PolarHBondContact O-N 2.84Å; V276-A279 VanDerWaalsContact O-N 3.13Å; K277-A279 VanDerWaalsContact C-N 3.32Å; K277-A279 PolarHBondContact O-N 2.97Å; A279-R283 WeakPolarHBondContact O-CG 3.46Å; A279-R283 PolarHBondContact O-N 2.83Å
280L95.3Very high95Very high2 Ų242.3 Ų42.31%0.0125%0.25CS..Hα-helixtrans-79.8-43.8177.5-60.1175.1000111.5I58 V267 M270 V276 K277 D278 D282 R283 I284I58-L280 HydrophobicContact CD1-CD1 3.77Å; I58-L280 HydrophobicContact CD1-CD2 4.38Å; I58-L280 HydrophobicContact CG1-CD1 4.08Å; I58-L280 HydrophobicContact CG1-CD2 3.92Å; I58-L280 HydrophobicContact CG2-CD1 4.42Å; V267-L280 HydrophobicContact CB-CB 4.44Å; V267-L280 HydrophobicContact CG1-CB 3.84Å; V267-L280 HydrophobicContact CG1-CD1 4.23Å; V267-L280 HydrophobicContact CG2-CB 3.65Å; V267-L280 HydrophobicContact CG2-CD1 3.89Å; V267-L280 HydrophobicContact CG2-CG 4.38Å; M270-L280 HydrophobicContact SD-CD1 3.98Å; V276-L280 HydrophobicContact CG1-CD1 3.98Å; V276-L280 HydrophobicContact CG1-CG 4.46Å; V276-L280 WeakPolarHBondContact O-CG 3.25Å; V276-L280 PolarHBondContact O-N 3.33Å; V276-L280 VanDerWaalsContact O-N 3.12Å; K277-L280 PolarHBondContact O-N 3.17Å; D278-L280 VanDerWaalsContact C-N 3.27Å; D278-L280 PolarHBondContact O-N 3.23Å; L280-D282 VanDerWaalsContact C-N 3.27Å; L280-D282 PolarHBondContact O-N 2.99Å; L280-R283 WeakPolarHBondContact O-CB 3.15Å; L280-R283 PolarHBondContact O-N 3.35Å; L280-I284 WeakPolarHBondContact O-CG1 3.49Å; L280-I284 PolarHBondContact O-N 3.01Å
281F95.5Very high95.1Very high5 Ų540.2 Ų40.22%0.02224%0.24CC..Hα-helixtrans-59.4-37173-68.4-48.4000112.5I117 T121 R123 L124 A264 V267 W268 K277 R283 I284 S285I117-F281 HydrophobicContact CG2-CE1 3.98Å; I117-F281 HydrophobicContact CG2-CZ 3.91Å; T121-F281 HydrophobicContact CG2-CD2 3.88Å; T121-F281 HydrophobicContact CG2-CE2 4.02Å; T121-F281 HydrophobicContact CG2-CG 4.18Å; T121-F281 HydrophobicContact CG2-CZ 4.44Å; R123-F281 HydrophobicContact CB-CB 3.73Å; R123-F281 HydrophobicContact CG-CB 4.29Å; L124-F281 HydrophobicContact CD1-CD1 4.11Å; L124-F281 HydrophobicContact CD1-CE1 4.22Å; L124-F281 HydrophobicContact CD2-CB 4.32Å; L124-F281 HydrophobicContact CD2-CD1 3.99Å; L124-F281 HydrophobicContact CG-CD1 4.28Å; A264-F281 HydrophobicContact CB-CE1 4.26Å; V267-F281 HydrophobicContact CB-CD1 4.37Å; V267-F281 HydrophobicContact CB-CE1 3.88Å; V267-F281 HydrophobicContact CB-CZ 4.22Å; V267-F281 HydrophobicContact CG1-CD1 3.98Å; V267-F281 HydrophobicContact CG1-CD2 4.28Å; V267-F281 HydrophobicContact CG1-CE1 3.65Å; V267-F281 HydrophobicContact CG1-CE2 3.98Å; V267-F281 HydrophobicContact CG1-CG 4.28Å; V267-F281 HydrophobicContact CG1-CZ 3.65Å; W268-F281 HydrophobicContact CB-CZ 4.34Å; W268-F281 HydrophobicContact CE3-CZ 4.28Å; K277-F281 HydrophobicContact CB-CD2 4.23Å; K277-F281 HydrophobicContact CB-CE2 3.94Å; K277-F281 VanDerWaalsContact O-CD2 3.24Å; K277-F281 WeakPolarHBondContact O-CD2 3.46Å; K277-F281 WeakPolarHBondContact O-CG 3.24Å; K277-F281 PolarHBondContact O-N 3.39Å; F281-R283 VanDerWaalsContact C-N 3.34Å; F281-R283 PolarHBondContact O-N 3.06Å; F281-I284 HydrophobicContact CD1-CD1 4.08Å; F281-I284 PolarHBondContact O-N 2.7Å; F281-S285 VanDerWaalsContact O-CB 3.32Å; F281-S285 WeakPolarHBondContact O-CB 3.48Å; F281-S285 PolarHBondContact O-N 3.2Å
282D94.4Very high95.2Very high65 Ų6532.5 Ų32.535%0.34820%0.2SC..Hα-helixtrans-62.7-39.3172.9-170.878.2000112.4R123 D278 L280 A286R123-D282 IonicContact NH1-OD1 3.22Å; R123-D282 PolarHBondContact NH1-OD1 3.32Å; D278-D282 WeakPolarHBondContact O-CB 3.24Å; D278-D282 PolarHBondContact O-N 3.3Å; L280-D282 VanDerWaalsContact C-N 3.27Å; L280-D282 PolarHBondContact O-N 2.99Å; D282-A286 VanDerWaalsContact O-CB 3.23Å; D282-A286 WeakPolarHBondContact O-CB 3.48Å; D282-A286 PolarHBondContact O-N 3.33Å
283R95.4Very high95.4Very high13 Ų1333.8 Ų33.85%0.04922%0.215CC..Hα-helixtrans-66.8-44175.8-71.5173.4-162.4170.95.7112.2I58 K59 C206 R213 A279 L280 F281 A286 S287I58-R283 PolarHBondContact O-NH1 3.41Å; I58-R283 PolarHBondContact O-NH2 3.13Å; K59-R283 PolarHBondContact O-NH2 3.35Å; C206-R283 WeakPolarHBondContact O-CD 3.49Å; C206-R283 PolarHBondContact O-NH1 3.12Å; R213-R283 PolarHBondContact NH2-O 3.12Å; R213-R283 VanDerWaalsContact NH2-O 3.15Å; A279-R283 WeakPolarHBondContact O-CG 3.46Å; A279-R283 PolarHBondContact O-N 2.83Å; L280-R283 WeakPolarHBondContact O-CB 3.15Å; L280-R283 PolarHBondContact O-N 3.35Å; F281-R283 VanDerWaalsContact C-N 3.34Å; F281-R283 PolarHBondContact O-N 3.06Å; R283-A286 PolarHBondContact O-N 2.84Å; R283-S287 PolarHBondContact O-N 3.32Å; R283-S287 PolarHBondContact O-OG 3.41Å; R283-S287 VanDerWaalsContact O-OG 3.05Å
284I95.6Very high95.4Very high1 Ų135.5 Ų35.51%0.00521%0.211CC..Hα-helixtrans-58-54.3177.6-68.8163.9000109.3L124 I127 C206 S260 D263 A264 V267 L280 F281 A286 S287 Y288L124-I284 HydrophobicContact CD2-CG2 4.21Å; I127-I284 HydrophobicContact CD1-CG2 4.17Å; C206-I284 WeakPolarHBondContact SG-CG1 3.5Å; S260-I284 WeakPolarHBondContact O-CG2 3.27Å; D263-I284 HydrophobicContact CB-CD1 3.69Å; D263-I284 HydrophobicContact CB-CG1 3.76Å; A264-I284 HydrophobicContact CB-CD1 4.49Å; V267-I284 HydrophobicContact CB-CD1 4.42Å; V267-I284 HydrophobicContact CG2-CD1 3.87Å; L280-I284 WeakPolarHBondContact O-CG1 3.49Å; L280-I284 PolarHBondContact O-N 3.01Å; F281-I284 HydrophobicContact CD1-CD1 4.08Å; F281-I284 PolarHBondContact O-N 2.7Å; I284-A286 VanDerWaalsContact C-N 3.31Å; I284-A286 PolarHBondContact O-N 2.82Å; I284-S287 WeakPolarHBondContact O-CB 3.45Å; I284-S287 PolarHBondContact O-N 2.84Å; I284-S287 VanDerWaalsContact O-N 3.09Å; I284-Y288 PolarHBondContact O-N 3.23Å
285S95.4Very high95.5Very high17 Ų1733.2 Ų33.212%0.11919%0.192CC..Hα-helixtrans-58.1-43.2178.3-171.10000112R123 F281 S287 Y288 V289R123-S285 WeakPolarHBondContact O-CB 3.39Å; R123-S285 PolarHBondContact O-OG 3.11Å; F281-S285 VanDerWaalsContact O-CB 3.32Å; F281-S285 WeakPolarHBondContact O-CB 3.48Å; F281-S285 PolarHBondContact O-N 3.2Å; S285-S287 PolarHBondContact O-N 3.06Å; S285-Y288 PolarHBondContact O-N 2.78Å; S285-V289 VanDerWaalsContact O-CG2 3.31Å; S285-V289 WeakPolarHBondContact O-CG2 3.43Å; S285-V289 PolarHBondContact O-N 3.18Å
286A95.4Very high95.5Very high10 Ų1035.3 Ų35.38%0.08321%0.213CC..Hα-helixtrans-66.2-34.2176.500000113.8K210 D282 R283 I284 Q290K210-A286 HydrophobicContact CB-CB 4.35Å; K210-A286 HydrophobicContact CD-CB 3.65Å; K210-A286 HydrophobicContact CG-CB 3.98Å; D282-A286 VanDerWaalsContact O-CB 3.23Å; D282-A286 WeakPolarHBondContact O-CB 3.48Å; D282-A286 PolarHBondContact O-N 3.33Å; R283-A286 PolarHBondContact O-N 2.84Å; I284-A286 VanDerWaalsContact C-N 3.31Å; I284-A286 PolarHBondContact O-N 2.82Å; A286-Q290 WeakPolarHBondContact O-CB 3.48Å; A286-Q290 PolarHBondContact O-N 3.25Å
287S96.3Very high95.3Very high3 Ų338.2 Ų38.22%0.02123%0.227CC..Hα-helixtrans-68.3-49.5173.9-65.30000110S205 R213 Y256 R283 I284 S285 V289 Q290 G291S205-S287 PolarHBondContact O-OG 2.88Å; S205-S287 VanDerWaalsContact O-OG 3.05Å; R213-S287 PolarHBondContact NH1-OG 3.22Å; R213-S287 PolarHBondContact NH2-OG 2.78Å; Y256-S287 WeakPolarHBondContact CB-O 3.29Å; Y256-S287 WeakPolarHBondContact CD2-O 3.35Å; R283-S287 PolarHBondContact O-N 3.32Å; R283-S287 PolarHBondContact O-OG 3.41Å; R283-S287 VanDerWaalsContact O-OG 3.05Å; I284-S287 WeakPolarHBondContact O-CB 3.45Å; I284-S287 PolarHBondContact O-N 2.84Å; I284-S287 VanDerWaalsContact O-N 3.09Å; S285-S287 PolarHBondContact O-N 3.06Å; S287-V289 PolarHBondContact O-N 3.07Å; S287-Q290 WeakPolarHBondContact O-CB 3.46Å; S287-Q290 PolarHBondContact O-N 3.16Å; S287-Q290 VanDerWaalsContact O-N 3.11Å; S287-G291 PolarHBondContact O-N 3.43Å
288Y96.5Very high95.3Very high7 Ų737.8 Ų37.83%0.02723%0.229CC..Hα-helixtrans-52.7-53.6176.1174.5-88.2000111.6A126 I127 D128 I132 V257 I284 S285 Q290 G291 A292A126-Y288 WeakPolarHBondContact O-CD1 3.36Å; A126-Y288 WeakPolarHBondContact O-CE1 3.5Å; I127-Y288 HydrophobicContact CB-CD1 4.47Å; I127-Y288 HydrophobicContact CB-CG 4.47Å; I127-Y288 HydrophobicContact CG1-CD1 4.08Å; I127-Y288 HydrophobicContact CG1-CD2 4.24Å; I127-Y288 HydrophobicContact CG1-CG 3.88Å; I127-Y288 HydrophobicContact CG2-CD2 4.08Å; I127-Y288 HydrophobicContact CG2-CE2 3.99Å; D128-Y288 VanDerWaalsContact CB-OH 3.22Å; D128-Y288 WeakPolarHBondContact CB-OH 3.47Å; D128-Y288 PolarHBondContact N-OH 3.48Å; I132-Y288 HydrophobicContact CD1-CD2 4.21Å; I132-Y288 HydrophobicContact CD1-CE2 3.8Å; I132-Y288 HydrophobicContact CG1-CE2 3.83Å; V257-Y288 HydrophobicContact CG1-CD2 4.48Å; V257-Y288 HydrophobicContact CG1-CE2 4.05Å; V257-Y288 HydrophobicContact CG2-CD2 4.47Å; V257-Y288 HydrophobicContact CG2-CE2 4.46Å; I284-Y288 PolarHBondContact O-N 3.23Å; S285-Y288 PolarHBondContact O-N 2.78Å; Y288-Q290 VanDerWaalsContact C-N 3.25Å; Y288-Q290 PolarHBondContact O-N 3.27Å; Y288-G291 PolarHBondContact O-N 3.13Å; Y288-G291 VanDerWaalsContact O-N 3.13Å; Y288-A292 HydrophobicContact CE1-CB 4.05Å; Y288-A292 WeakPolarHBondContact O-CB 3.38Å; Y288-A292 PolarHBondContact O-N 3.46Å
289V96.3Very high95.4Very high73 Ų7335.8 Ų35.844%0.44222%0.219SC..Hα-helixtrans-59.2-38.5-179.8170.60000111.5A126 S285 S287 A293A126-V289 HydrophobicContact CB-CG2 3.7Å; S285-V289 VanDerWaalsContact O-CG2 3.31Å; S285-V289 WeakPolarHBondContact O-CG2 3.43Å; S285-V289 PolarHBondContact O-N 3.18Å; S287-V289 PolarHBondContact O-N 3.07Å; V289-A293 VanDerWaalsContact O-CB 3.23Å; V289-A293 WeakPolarHBondContact O-CB 3.4Å; V289-A293 PolarHBondContact O-N 3.22Å
290Q95.9Very high95.4Very high70 Ų7036.2 Ų36.233%0.32722%0.218SC..Hα-helixtrans-66.8-44.3177.1178.3178.9-12.600112Y256 A286 S287 Y288 Y294Y256-Q290 HydrophobicContact CD2-CB 4.35Å; Y256-Q290 HydrophobicContact CD2-CG 4.37Å; Y256-Q290 HydrophobicContact CE2-CG 4.24Å; A286-Q290 WeakPolarHBondContact O-CB 3.48Å; A286-Q290 PolarHBondContact O-N 3.25Å; S287-Q290 WeakPolarHBondContact O-CB 3.46Å; S287-Q290 PolarHBondContact O-N 3.16Å; S287-Q290 VanDerWaalsContact O-N 3.11Å; Y288-Q290 VanDerWaalsContact C-N 3.25Å; Y288-Q290 PolarHBondContact O-N 3.27Å; Q290-Y294 PolarHBondContact O-N 2.86Å
291G96.7Very high95.5Very high1 Ų138.2 Ų38.21%0.0123%0.23CC..Hα-helixtrans-66.2-48.8177.900000111.8S287 Y288 A293 Y294 L295S287-G291 PolarHBondContact O-N 3.43Å; Y288-G291 PolarHBondContact O-N 3.13Å; Y288-G291 VanDerWaalsContact O-N 3.13Å; G291-A293 VanDerWaalsContact C-N 3.35Å; G291-A293 PolarHBondContact O-N 3.18Å; G291-Y294 WeakPolarHBondContact O-CB 3.45Å; G291-Y294 PolarHBondContact O-N 3.11Å; G291-Y294 VanDerWaalsContact O-N 3.09Å; G291-L295 WeakPolarHBondContact O-CG 3.42Å; G291-L295 PolarHBondContact O-N 2.83Å
292A97Very high95.5Very high6 Ų640.3 Ų40.35%0.0524%0.243CC..Hα-helixtrans-57.9-45.6178.400000111.9V257 Y288 Y294 L295 G296 L297V257-A292 HydrophobicContact CG2-CB 4.28Å; Y288-A292 HydrophobicContact CE1-CB 4.05Å; Y288-A292 WeakPolarHBondContact O-CB 3.38Å; Y288-A292 PolarHBondContact O-N 3.46Å; A292-Y294 VanDerWaalsContact C-N 3.31Å; A292-Y294 PolarHBondContact O-N 2.92Å; A292-L295 CarbonylContact O-C 3.47Å; A292-L295 PolarHBondContact O-N 3.12Å; A292-L295 VanDerWaalsContact O-N 3.17Å; A292-G296 PolarHBondContact O-N 3.19Å; A292-L297 HydrophobicContact CB-CB 4.03Å; A292-L297 PolarHBondContact O-N 3.15Å
293A96.9Very high95.5Very high76 Ų7638.6 Ų38.663%0.62824%0.236SC*.Hα-helixtrans-61.5-37.1176.400000113V289 G291V289-A293 VanDerWaalsContact O-CB 3.23Å; V289-A293 WeakPolarHBondContact O-CB 3.4Å; V289-A293 PolarHBondContact O-N 3.22Å; G291-A293 VanDerWaalsContact C-N 3.35Å; G291-A293 PolarHBondContact O-N 3.18Å
294Y96.4Very high95.5Very high111 Ų11140.4 Ų40.444%0.43525%0.249SC..Hα-helixtrans-68.8-37176.2-176.6-87000112.1R249 A253 Q290 G291 A292 G296R249-Y294 HydrophobicContact CB-CE2 4.47Å; A253-Y294 HydrophobicContact CB-CD1 3.32Å; A253-Y294 HydrophobicContact CB-CE1 4.1Å; A253-Y294 HydrophobicContact CB-CG 3.8Å; Q290-Y294 PolarHBondContact O-N 2.86Å; G291-Y294 WeakPolarHBondContact O-CB 3.45Å; G291-Y294 PolarHBondContact O-N 3.11Å; G291-Y294 VanDerWaalsContact O-N 3.09Å; A292-Y294 VanDerWaalsContact C-N 3.31Å; A292-Y294 PolarHBondContact O-N 2.92Å; Y294-G296 VanDerWaalsContact C-N 3.33Å
295L95Very high95.5Very high44 Ų4443.5 Ų43.523%0.2327%0.268CS..Hα-helixtrans-83.4-5.6-179.3-62.8177.7000113.9L135 A253 H254 V257 G291 A292 L297L135-L295 HydrophobicContact CD2-CD1 4.07Å; A253-L295 HydrophobicContact CB-CD1 4.47Å; A253-L295 HydrophobicContact CB-CD2 4.03Å; A253-L295 HydrophobicContact CB-CG 3.99Å; H254-L295 WeakPolarHBondContact CE1-CD2 3.44Å; V257-L295 HydrophobicContact CG2-CD1 4.09Å; G291-L295 WeakPolarHBondContact O-CG 3.42Å; G291-L295 PolarHBondContact O-N 2.83Å; A292-L295 CarbonylContact O-C 3.47Å; A292-L295 PolarHBondContact O-N 3.12Å; A292-L295 VanDerWaalsContact O-N 3.17Å; L295-L297 VanDerWaalsContact C-N 3.29Å; L295-L297 HydrophobicContact CB-CD1 4.01Å; L295-L297 HydrophobicContact CB-CG 3.83Å; L295-L297 HydrophobicContact CD1-CD1 3.97Å
296G94Very high95.5Very high68 Ų6845.7 Ų45.770%0.70128%0.281SS*.THydrogen-bonded Turntrans68.429.9-175.100000113.2A292 Y294A292-G296 PolarHBondContact O-N 3.19Å; Y294-G296 VanDerWaalsContact C-N 3.33Å
297L90Very high95.6Very high79 Ų7948.9 Ų48.941%0.41430%0.299SS..  trans-86.10179.2-70.3-179000111K131 L135 V257 A292 L295K131-L297 HydrophobicContact CD-CB 3.9Å; K131-L297 WeakPolarHBondContact CD-OXT 3.28Å; K131-L297 WeakPolarHBondContact CE-OXT 3.29Å; K131-L297 PolarHBondContact NZ-OXT 3.26Å; L135-L297 HydrophobicContact CD2-CD1 4.41Å; V257-L297 HydrophobicContact CG1-CD1 4.17Å; V257-L297 HydrophobicContact CG2-CD1 4.38Å; A292-L297 HydrophobicContact CB-CB 4.03Å; A292-L297 PolarHBondContact O-N 3.15Å; L295-L297 VanDerWaalsContact C-N 3.29Å; L295-L297 HydrophobicContact CB-CD1 4.01Å; L295-L297 HydrophobicContact CB-CG 3.83Å; L295-L297 HydrophobicContact CD1-CD1 3.97Å

Retrieved 297 of 297 residues in 67.3 ms (Link to these results)

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