A0A077ZG74_TRITR Loading...

Protein tincar

AlphaFold DB , UniProt , Accession A0A077ZG74, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 818 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
1M41.8Very low69Low223 Ų223109.8 Ų109.8100%1.09955%0.554SS**  0121.70-68.3170.6173.600107.4
2G43.4Very low70.9Confident58 Ų58111.3 Ų111.360%0.59856%0.563SS**  trans-73.3141.5177.300000111.3W4G2-W4 PolarHBondContact O-N 3.39Å
3C52.1Low72.4Confident87 Ų87109.5 Ų109.559%0.58857%0.567SS**  trans-84.596.3170.8-650000108.4Y5C3-Y5 PolarHBondContact O-N 3.43Å; C3-Y5 VanDerWaalsContact O-N 3.14Å
4W56.8Low73.8Confident234 Ų234102.3 Ų102.389%0.88653%0.53SS*.  trans-75.299.9175.5-64.684.6000109.2G2 R6G2-W4 PolarHBondContact O-N 3.39Å; W4-R6 PolarHBondContact O-N 2.89Å
5Y66.7Low75.2Confident87 Ų8799.5 Ų99.534%0.34152%0.516SS..  trans-68.6121.4166.4174.7-108.9000108.7C3 P7 F73 K78 V96C3-Y5 PolarHBondContact O-N 3.43Å; C3-Y5 VanDerWaalsContact O-N 3.14Å; Y5-P7 HydrophobicContact CD1-CB 4.48Å; Y5-P7 HydrophobicContact CE1-CB 3.84Å; Y5-P7 WeakPolarHBondContact O-CD 3.45Å; Y5-F73 HydrophobicContact CE1-CZ 4.31Å; Y5-K78 WeakPolarHBondContact CE2-O 3.35Å; Y5-K78 PolarHBondContact OH-O 3.35Å; Y5-V96 HydrophobicContact CD2-CG1 4.24Å; Y5-V96 HydrophobicContact CE2-CG1 4Å
6R71.1Confident76.4Confident187 Ų187103.9 Ų103.971%0.70652%0.523SS*.  trans-94.8110.3171.1-165.5-177.8-160.8-169.55.6107.5W4 E8 V96W4-R6 PolarHBondContact O-N 2.89Å; R6-E8 PolarHBondContact O-N 3.16Å; R6-E8 VanDerWaalsContact O-N 3.16Å; R6-V96 WeakPolarHBondContact O-CG1 3.37Å
7P76.3Confident77.5Confident84 Ų8499.7 Ų99.755%0.54550%0.5SS..  trans-66.3116.3177.726-32.6000109.7Y5 F77Y5-P7 HydrophobicContact CD1-CB 4.48Å; Y5-P7 HydrophobicContact CE1-CB 3.84Å; Y5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-F77 HydrophobicContact CB-CD1 4.19Å; P7-F77 HydrophobicContact CB-CE1 4.36Å
8E84.9Confident78.5Confident57 Ų5794.5 Ų94.527%0.26648%0.475SS..  trans-109.3137.6164.9-70.4-175.8-173.400107.8R6 F77 K78R6-E8 PolarHBondContact O-N 3.16Å; R6-E8 VanDerWaalsContact O-N 3.16Å; E8-F77 WeakPolarHBondContact O-CA 3.25Å; E8-K78 HydrophobicContact CB-CB 4.42Å; E8-K78 HydrophobicContact CB-CD 3.97Å; E8-K78 HydrophobicContact CB-CG 4.19Å; E8-K78 PolarHBondContact O-N 2.92Å; E8-K78 WeakPolarHBondContact OE2-CE 3.44Å; E8-K78 IonicContact OE2-NZ 3.76Å; E8-K78 PolarHBondContact OE2-NZ 3.37Å
9L87.8Confident79.4Confident111 Ų11194.4 Ų94.458%0.58148%0.475SS*.BIsolated β-bridgetrans-68.5143.7171.6-68.3173.7000109.8I76 F77L9-I76 HydrophobicContact CD2-CG2 3.92Å; L9-F77 HydrophobicContact CD2-CD1 4.08Å; L9-F77 HydrophobicContact CD2-CE1 3.91Å
10N89Confident80.2Confident9 Ų996 Ų965%0.04848%0.479CS..PPolyproline II helixtrans-74.6172172-159.2-19.9000109.9S14 A75 I76 N84N10-S14 PolarHBondContact ND2-OG 2.7Å; N10-A75 WeakPolarHBondContact CB-O 3.46Å; N10-I76 PolarHBondContact N-O 3.46Å; N10-N84 PolarHBondContact ND2-O 3.3Å
11T89.1Confident81Confident71 Ų7192.3 Ų92.344%0.43646%0.46SS..PPolyproline II helixtrans-54.8147.8178.665.60000112.1S13 S14 I15T11-S13 PolarHBondContact O-N 2.91Å; T11-S13 VanDerWaalsContact O-N 3.08Å; T11-S14 WeakPolarHBondContact O-CA 3.31Å; T11-S14 WeakPolarHBondContact O-CB 3.34Å; T11-S14 PolarHBondContact O-N 3.42Å; T11-S14 PolarHBondContact OG1-N 3.11Å; T11-I15 PolarHBondContact O-N 3.29Å
12I91.8Very high83.6Confident128 Ų12883.7 Ų83.766%0.65642%0.42SS*.Hα-helixtrans-57.4-29.4-179.3-159.7170.2000112.8I15 W16I12-I15 PolarHBondContact O-N 2.86Å; I12-W16 VanDerWaalsContact O-CD1 3.26Å; I12-W16 PolarHBondContact O-N 2.89Å
13S90.6Very high86Confident88 Ų8886.6 Ų86.662%0.61542%0.421SS*.Hα-helixtrans-63-42.2172.6-171.60000112.4T11 I15 W16 Y17T11-S13 PolarHBondContact O-N 2.91Å; T11-S13 VanDerWaalsContact O-N 3.08Å; S13-I15 VanDerWaalsContact C-N 3.33Å; S13-I15 PolarHBondContact O-N 3.03Å; S13-W16 PolarHBondContact O-N 2.9Å; S13-Y17 VanDerWaalsContact O-CB 3.27Å; S13-Y17 WeakPolarHBondContact O-CB 3.45Å; S13-Y17 PolarHBondContact O-N 2.94Å
14S92.5Very high88Confident8 Ų883.7 Ų83.76%0.05640%0.4CS..Hα-helixtrans-66.2-34.7175.7-159.80000112.2N10 T11 Y17 C18 A75N10-S14 PolarHBondContact ND2-OG 2.7Å; T11-S14 WeakPolarHBondContact O-CA 3.31Å; T11-S14 WeakPolarHBondContact O-CB 3.34Å; T11-S14 PolarHBondContact O-N 3.42Å; T11-S14 PolarHBondContact OG1-N 3.11Å; S14-Y17 PolarHBondContact O-N 2.85Å; S14-C18 WeakPolarHBondContact O-CB 3.28Å; S14-C18 PolarHBondContact O-N 3.42Å; S14-A75 WeakPolarHBondContact CB-O 3.43Å; S14-A75 PolarHBondContact OG-O 2.92Å
15I93.6Very high89.9Confident61 Ų6172.6 Ų72.631%0.31336%0.358SS..Hα-helixtrans-68.2-44175.7-61.3172.5000111T11 I12 S13 C18 L19T11-I15 PolarHBondContact O-N 3.29Å; I12-I15 PolarHBondContact O-N 2.86Å; S13-I15 VanDerWaalsContact C-N 3.33Å; S13-I15 PolarHBondContact O-N 3.03Å; I15-C18 WeakPolarHBondContact O-CB 3.44Å; I15-C18 PolarHBondContact O-N 3.21Å; I15-L19 PolarHBondContact O-N 2.63Å
16W94.8Very high91.2Very high169 Ų16969.9 Ų69.964%0.6436%0.356SS*.Hα-helixtrans-65-40.3173.9-82.6109.7000112.8I12 S13 L19 F20I12-W16 VanDerWaalsContact O-CD1 3.26Å; I12-W16 PolarHBondContact O-N 2.89Å; S13-W16 PolarHBondContact O-N 2.9Å; W16-L19 HydrophobicContact CE3-CD2 3.82Å; W16-L19 HydrophobicContact CZ3-CD2 3.63Å; W16-L19 PolarHBondContact O-N 2.76Å; W16-F20 PolarHBondContact O-N 3.37Å
17Y95.1Very high92.2Very high33 Ų3366.6 Ų66.613%0.12935%0.345CS..Hα-helixtrans-57.6-46.6171.8176-104.2000111.4S13 S14 F21 F71 Q120 H123 A209S13-Y17 VanDerWaalsContact O-CB 3.27Å; S13-Y17 WeakPolarHBondContact O-CB 3.45Å; S13-Y17 PolarHBondContact O-N 2.94Å; S14-Y17 PolarHBondContact O-N 2.85Å; Y17-F21 AromaticContact CD2-CD2 3.45Å; Y17-F21 HydrophobicContact CD2-CD2 3.45Å; Y17-F21 VanDerWaalsContact CD2-CD2 3.45Å; Y17-F21 AromaticContact CD2-CE2 3.46Å; Y17-F21 HydrophobicContact CD2-CE2 3.46Å; Y17-F21 VanDerWaalsContact CD2-CE2 3.46Å; Y17-F21 AromaticContact CE2-CD2 3.44Å; Y17-F21 HydrophobicContact CE2-CD2 3.44Å; Y17-F21 VanDerWaalsContact CE2-CD2 3.44Å; Y17-F21 AromaticContact CE2-CE2 3.41Å; Y17-F21 HydrophobicContact CE2-CE2 3.41Å; Y17-F21 VanDerWaalsContact CE2-CE2 3.41Å; Y17-F21 HydrophobicContact CG-CD2 4.08Å; Y17-F21 HydrophobicContact CG-CE2 4.46Å; Y17-F21 VanDerWaalsContact O-CD2 3.26Å; Y17-F21 WeakPolarHBondContact O-CD2 3.2Å; Y17-F21 PolarHBondContact O-N 3.08Å; Y17-F21 VanDerWaalsContact O-N 3.1Å; Y17-F71 HydrophobicContact CD1-CE2 4.44Å; Y17-F71 HydrophobicContact CD1-CZ 4.29Å; Y17-F71 AromaticContact CE1-CE2 3.81Å; Y17-F71 HydrophobicContact CE1-CE2 3.81Å; Y17-F71 AromaticContact CE1-CZ 3.93Å; Y17-F71 HydrophobicContact CE1-CZ 3.93Å; Y17-Q120 HydrophobicContact CE1-CG 4.29Å; Y17-H123 AromaticContact CZ-ND1 3.64Å; Y17-H123 PolarHBondContact OH-ND1 2.94Å; Y17-A209 HydrophobicContact CE2-CB 3.48Å; Y17-A209 VanDerWaalsContact CE2-CB 3.48Å; Y17-A209 WeakPolarHBondContact OH-CB 3.48Å
18C95.9Very high93Very high6 Ų663 Ų634%0.04132%0.321CS..Hα-helixtrans-57.3-51.8173.6-171.60000111.7S14 I15 F20 F21 V22 A75 I76S14-C18 WeakPolarHBondContact O-CB 3.28Å; S14-C18 PolarHBondContact O-N 3.42Å; I15-C18 WeakPolarHBondContact O-CB 3.44Å; I15-C18 PolarHBondContact O-N 3.21Å; C18-F20 PolarHBondContact O-N 2.9Å; C18-F21 PolarHBondContact O-N 3.29Å; C18-V22 VanDerWaalsContact O-CB 3.28Å; C18-V22 WeakPolarHBondContact O-CB 3.24Å; C18-V22 WeakPolarHBondContact O-CG2 3.48Å; C18-V22 PolarHBondContact O-N 2.97Å; C18-A75 HydrophobicContact CB-CB 3.62Å; C18-I76 HydrophobicContact CB-CG1 4.44Å
19L95.8Very high93.4Very high92 Ų9261.5 Ų61.548%0.48231%0.314SS..Hα-helixtrans-57.1-51-177-17573.6000111.6I15 W16 L23I15-L19 PolarHBondContact O-N 2.63Å; W16-L19 HydrophobicContact CE3-CD2 3.82Å; W16-L19 HydrophobicContact CZ3-CD2 3.63Å; W16-L19 PolarHBondContact O-N 2.76Å; L19-L23 HydrophobicContact CG-CD1 4.38Å; L19-L23 WeakPolarHBondContact O-CG 3.22Å; L19-L23 PolarHBondContact O-N 3.26Å
20F95.3Very high93.6Very high126 Ų12663.7 Ų63.755%0.55332%0.316SS*.Hα-helixtrans-62.2-48.2-178.5-177-92.5000111.9W16 C18 L23 L24W16-F20 PolarHBondContact O-N 3.37Å; C18-F20 PolarHBondContact O-N 2.9Å; F20-L23 PolarHBondContact O-N 2.9Å; F20-L24 HydrophobicContact CE1-CD2 4.21Å; F20-L24 PolarHBondContact O-N 2.93Å
21F96.2Very high93.6Very high19 Ų1964 Ų648%0.08332%0.318CS..Hα-helixtrans-78.9-25.6-175.1-72.4-62.7000114.3Y17 C18 L24 Q25 F71 H123 S205Y17-F21 AromaticContact CD2-CD2 3.45Å; Y17-F21 HydrophobicContact CD2-CD2 3.45Å; Y17-F21 VanDerWaalsContact CD2-CD2 3.45Å; Y17-F21 AromaticContact CD2-CE2 3.46Å; Y17-F21 HydrophobicContact CD2-CE2 3.46Å; Y17-F21 VanDerWaalsContact CD2-CE2 3.46Å; Y17-F21 AromaticContact CE2-CD2 3.44Å; Y17-F21 HydrophobicContact CE2-CD2 3.44Å; Y17-F21 VanDerWaalsContact CE2-CD2 3.44Å; Y17-F21 AromaticContact CE2-CE2 3.41Å; Y17-F21 HydrophobicContact CE2-CE2 3.41Å; Y17-F21 VanDerWaalsContact CE2-CE2 3.41Å; Y17-F21 HydrophobicContact CG-CD2 4.08Å; Y17-F21 HydrophobicContact CG-CE2 4.46Å; Y17-F21 VanDerWaalsContact O-CD2 3.26Å; Y17-F21 WeakPolarHBondContact O-CD2 3.2Å; Y17-F21 PolarHBondContact O-N 3.08Å; Y17-F21 VanDerWaalsContact O-N 3.1Å; C18-F21 PolarHBondContact O-N 3.29Å; F21-L24 HydrophobicContact CD1-CB 4.49Å; F21-L24 HydrophobicContact CD1-CD2 3.95Å; F21-L24 HydrophobicContact CE1-CD2 3.91Å; F21-Q25 WeakPolarHBondContact O-CB 3.36Å; F21-Q25 WeakPolarHBondContact O-CG 3.38Å; F21-Q25 PolarHBondContact O-N 3.19Å; F21-F71 HydrophobicContact CB-CE1 3.96Å; F21-F71 HydrophobicContact CB-CZ 3.98Å; F21-H123 AromaticContact CD1-CE1 3.24Å; F21-H123 WeakPolarHBondContact CD1-CE1 3.31Å; F21-H123 AromaticContact CD1-NE2 3.65Å; F21-H123 AromaticContact CD2-CE1 3.8Å; F21-H123 AromaticContact CE1-CE1 3.68Å; F21-H123 AromaticContact CG-CE1 3.34Å; F21-H123 WeakPolarHBondContact CG-CE1 3.08Å; F21-H123 AromaticContact CG-ND1 3.94Å; F21-H123 AromaticContact CG-NE2 3.98Å; F21-S205 WeakPolarHBondContact CE1-OG 3.45Å; F21-S205 WeakPolarHBondContact CZ-OG 3.37Å
22V96Very high93.5Very high43 Ų4360.9 Ų60.926%0.26130%0.3SS..Hα-helixtrans-67.5-40.4170171.30000111C18 G26 L68 F71 V72C18-V22 VanDerWaalsContact O-CB 3.28Å; C18-V22 WeakPolarHBondContact O-CB 3.24Å; C18-V22 WeakPolarHBondContact O-CG2 3.48Å; C18-V22 PolarHBondContact O-N 2.97Å; V22-G26 PolarHBondContact O-N 3.49Å; V22-L68 HydrophobicContact CG2-CD1 4.42Å; V22-F71 HydrophobicContact CG2-CD1 4.01Å; V22-F71 HydrophobicContact CG2-CE1 3.95Å; V22-V72 HydrophobicContact CG1-CG2 4.49Å; V22-V72 HydrophobicContact CG2-CG2 3.59Å
23L95.6Very high93.4Very high119 Ų11958.8 Ų58.862%0.62329%0.289SS*.Hα-helixtrans-64.2-45.5174.3-69.6170.1000111.3L19 F20 G26 Y27L19-L23 HydrophobicContact CG-CD1 4.38Å; L19-L23 WeakPolarHBondContact O-CG 3.22Å; L19-L23 PolarHBondContact O-N 3.26Å; F20-L23 PolarHBondContact O-N 2.9Å; L23-G26 PolarHBondContact O-N 3.07Å; L23-Y27 WeakPolarHBondContact O-CB 3.19Å; L23-Y27 PolarHBondContact O-N 3.2Å
24L94Very high93.2Very high25 Ų2555.2 Ų55.213%0.13127%0.265CS..Hα-helixtrans-63.5-48.1178.3-174.556000112.4F20 F21 Y27 L28 L198 N202F20-L24 HydrophobicContact CE1-CD2 4.21Å; F20-L24 PolarHBondContact O-N 2.93Å; F21-L24 HydrophobicContact CD1-CB 4.49Å; F21-L24 HydrophobicContact CD1-CD2 3.95Å; F21-L24 HydrophobicContact CE1-CD2 3.91Å; L24-Y27 PolarHBondContact O-N 3.35Å; L24-L28 HydrophobicContact CG-CD1 4.43Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 3.32Å; L24-L198 HydrophobicContact CD1-CD1 3.83Å; L24-L198 HydrophobicContact CD1-CD2 3.76Å; L24-L198 HydrophobicContact CD1-CG 3.73Å; L24-N202 HydrophobicContact CD2-CB 4.05Å; L24-N202 VanDerWaalsContact CD2-OD1 3.32Å; L24-N202 WeakPolarHBondContact CD2-OD1 3.46Å
25Q94.8Very high92.6Very high1 Ų155.6 Ų55.61%0.00527%0.266CS..Hα-helixtrans-67.2-34.9177.7-68.5165.43200112.1F21 L28 L29 L68 H123 I126 F130F21-Q25 WeakPolarHBondContact O-CB 3.36Å; F21-Q25 WeakPolarHBondContact O-CG 3.38Å; F21-Q25 PolarHBondContact O-N 3.19Å; Q25-L28 PolarHBondContact O-N 2.98Å; Q25-L29 VanDerWaalsContact O-CB 3.26Å; Q25-L29 WeakPolarHBondContact O-CB 3.44Å; Q25-L29 PolarHBondContact O-N 2.83Å; Q25-L68 HydrophobicContact CB-CD1 4.33Å; Q25-L68 VanDerWaalsContact OE1-CD1 3.32Å; Q25-H123 PolarHBondContact NE2-CD2 3.42Å; Q25-H123 PolarHBondContact NE2-NE2 3.28Å; Q25-I126 HydrophobicContact CG-CG2 4.04Å; Q25-F130 HydrophobicContact CB-CE2 4.05Å; Q25-F130 HydrophobicContact CG-CE2 4.16Å; Q25-F130 WeakPolarHBondContact O-CZ 3.47Å
26G94.4Very high92.1Very high30 Ų3057.1 Ų57.131%0.30927%0.268SS..Hα-helixtrans-64.9-41.3174.200000112.7V22 L23 L29 Y30V22-G26 PolarHBondContact O-N 3.49Å; L23-G26 PolarHBondContact O-N 3.07Å; G26-L29 PolarHBondContact O-N 2.69Å; G26-Y30 PolarHBondContact O-N 3.28Å
27Y93.2Very high91.6Very high118 Ų11851.5 Ų51.546%0.46326%0.255SS..Hα-helixtrans-67.2-42.3174.2-179.6-114.8000112.2L23 L24 L29 Y30 I31 L198L23-Y27 WeakPolarHBondContact O-CB 3.19Å; L23-Y27 PolarHBondContact O-N 3.2Å; L24-Y27 PolarHBondContact O-N 3.35Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 2.65Å; Y27-Y30 PolarHBondContact O-N 2.87Å; Y27-I31 HydrophobicContact CD1-CD1 3.81Å; Y27-I31 HydrophobicContact CD2-CD1 4.42Å; Y27-I31 HydrophobicContact CE1-CD1 3.45Å; Y27-I31 VanDerWaalsContact CE1-CD1 3.45Å; Y27-I31 HydrophobicContact CE2-CD1 4.1Å; Y27-I31 HydrophobicContact CE2-CG1 4.47Å; Y27-I31 HydrophobicContact CG-CD1 4.28Å; Y27-I31 WeakPolarHBondContact O-CG1 3.39Å; Y27-I31 PolarHBondContact O-N 3.4Å; Y27-L198 HydrophobicContact CD1-CD2 3.62Å; Y27-L198 HydrophobicContact CE1-CD2 3.67Å
28L92.7Very high90.8Very high10 Ų1050.7 Ų50.75%0.05226%0.255CS..Hα-helixtrans-61.6-39.8172.8-72.7175.5000112.4L24 Q25 I31 G32 F130 L198 P199 N202L24-L28 HydrophobicContact CG-CD1 4.43Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 3.32Å; Q25-L28 PolarHBondContact O-N 2.98Å; L28-I31 PolarHBondContact O-N 3.46Å; L28-G32 PolarHBondContact O-N 2.71Å; L28-F130 HydrophobicContact CB-CD1 4.01Å; L28-F130 HydrophobicContact CB-CD2 4.45Å; L28-F130 HydrophobicContact CB-CE1 3.66Å; L28-F130 HydrophobicContact CB-CE2 4.13Å; L28-F130 HydrophobicContact CB-CG 4.4Å; L28-F130 HydrophobicContact CB-CZ 3.71Å; L28-F130 HydrophobicContact CD1-CD2 4.29Å; L28-F130 HydrophobicContact CD1-CG 4.44Å; L28-L198 HydrophobicContact CD2-CB 4.01Å; L28-L198 HydrophobicContact CD2-CD2 3.94Å; L28-L198 HydrophobicContact CD2-CG 4.04Å; L28-L198 HydrophobicContact CG-CD2 4.45Å; L28-P199 HydrophobicContact CD2-CG 3.89Å; L28-N202 HydrophobicContact CD1-CB 3.99Å
29L93.6Very high89.7Confident24 Ų2450.7 Ų50.713%0.12625%0.254CS..Hα-helixtrans-64.8-42.9175.3-179.858.7000111.7Q25 G26 Y27 G32 L33 I64 I65 F130Q25-L29 VanDerWaalsContact O-CB 3.26Å; Q25-L29 WeakPolarHBondContact O-CB 3.44Å; Q25-L29 PolarHBondContact O-N 2.83Å; G26-L29 PolarHBondContact O-N 2.69Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 2.65Å; L29-G32 PolarHBondContact O-N 3.1Å; L29-L33 HydrophobicContact CD1-CD1 4.02Å; L29-L33 HydrophobicContact CD1-CG 4.09Å; L29-L33 HydrophobicContact CG-CD1 4.02Å; L29-L33 HydrophobicContact CG-CG 4.48Å; L29-L33 WeakPolarHBondContact O-CB 3.32Å; L29-L33 VanDerWaalsContact O-CG 3.32Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.31Å; L29-I64 HydrophobicContact CD1-CG2 4.46Å; L29-I65 HydrophobicContact CD1-CD1 4.28Å; L29-I65 HydrophobicContact CD1-CG1 4.03Å; L29-I65 HydrophobicContact CD2-CG1 3.97Å; L29-F130 HydrophobicContact CB-CE1 4.35Å; L29-F130 HydrophobicContact CB-CZ 4.04Å
30Y92.1Very high88.8Confident158 Ų15849.3 Ų49.362%0.6226%0.256SS*.Hα-helixtrans-59-47.9174.6173.6-101000111.6G26 Y27 G32 L33 A34G26-Y30 PolarHBondContact O-N 3.28Å; Y27-Y30 PolarHBondContact O-N 2.87Å; Y30-G32 PolarHBondContact O-N 3.1Å; Y30-L33 PolarHBondContact O-N 3.43Å; Y30-A34 VanDerWaalsContact O-CB 3.24Å; Y30-A34 WeakPolarHBondContact O-CB 3.42Å; Y30-A34 PolarHBondContact O-N 3.19Å
31I88.7Confident88Confident15 Ų1551.2 Ų51.28%0.07727%0.267CS..Hα-helixtrans-61.4-43.9176.2-66.5159.1000111.3Y27 L28 A34 R35 V191Y27-I31 HydrophobicContact CD1-CD1 3.81Å; Y27-I31 HydrophobicContact CD2-CD1 4.42Å; Y27-I31 HydrophobicContact CE1-CD1 3.45Å; Y27-I31 VanDerWaalsContact CE1-CD1 3.45Å; Y27-I31 HydrophobicContact CE2-CD1 4.1Å; Y27-I31 HydrophobicContact CE2-CG1 4.47Å; Y27-I31 HydrophobicContact CG-CD1 4.28Å; Y27-I31 WeakPolarHBondContact O-CG1 3.39Å; Y27-I31 PolarHBondContact O-N 3.4Å; L28-I31 PolarHBondContact O-N 3.46Å; I31-A34 PolarHBondContact O-N 3.21Å; I31-R35 HydrophobicContact CG2-CG 4.49Å; I31-R35 WeakPolarHBondContact O-CG 3.24Å; I31-R35 PolarHBondContact O-N 3.01Å; I31-V191 HydrophobicContact CD1-CB 4.39Å; I31-V191 HydrophobicContact CD1-CG2 3.85Å; I31-V191 HydrophobicContact CG2-CG2 4.35Å
32G87.6Confident86.7Confident6 Ų654.5 Ų54.56%0.06229%0.292CS..Hα-helixtrans-60.6-48178.400000112.7L28 L29 Y30 A34 R35 Y36 Y57L28-G32 PolarHBondContact O-N 2.71Å; L29-G32 PolarHBondContact O-N 3.1Å; Y30-G32 PolarHBondContact O-N 3.1Å; G32-A34 PolarHBondContact O-N 3.37Å; G32-R35 PolarHBondContact O-N 2.93Å; G32-Y36 WeakPolarHBondContact O-CB 3.42Å; G32-Y36 PolarHBondContact O-N 3.47Å; G32-Y57 WeakPolarHBondContact CA-OH 3.23Å; G32-Y57 PolarHBondContact O-OH 2.82Å; G32-Y57 VanDerWaalsContact O-OH 3.1Å
33L88.1Confident85.1Confident83 Ų8354.4 Ų54.444%0.43530%0.3SS..Hα-helixtrans-64.3-39.2176.7-68.4172.5000112.4L29 Y30 Y36 S37L29-L33 HydrophobicContact CD1-CD1 4.02Å; L29-L33 HydrophobicContact CD1-CG 4.09Å; L29-L33 HydrophobicContact CG-CD1 4.02Å; L29-L33 HydrophobicContact CG-CG 4.48Å; L29-L33 WeakPolarHBondContact O-CB 3.32Å; L29-L33 VanDerWaalsContact O-CG 3.32Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.31Å; Y30-L33 PolarHBondContact O-N 3.43Å; L33-Y36 WeakPolarHBondContact O-CB 3.42Å; L33-Y36 PolarHBondContact O-N 3.38Å; L33-S37 PolarHBondContact O-N 2.93Å; L33-S37 PolarHBondContact O-OG 3.44Å
34A86.6Confident83.5Confident14 Ų1450.7 Ų50.712%0.11628%0.278CS..Hα-helixtrans-69.7-35.3178.500000112.3Y30 I31 G32 S37 A38 L187Y30-A34 VanDerWaalsContact O-CB 3.24Å; Y30-A34 WeakPolarHBondContact O-CB 3.42Å; Y30-A34 PolarHBondContact O-N 3.19Å; I31-A34 PolarHBondContact O-N 3.21Å; G32-A34 PolarHBondContact O-N 3.37Å; A34-S37 WeakPolarHBondContact CA-OG 3.3Å; A34-S37 PolarHBondContact O-OG 3.01Å; A34-A38 PolarHBondContact O-N 3.44Å; A34-A38 VanDerWaalsContact O-N 3.08Å; A34-L187 HydrophobicContact CB-CD1 3.9Å; A34-L187 HydrophobicContact CB-CD2 3.86Å; A34-L187 HydrophobicContact CB-CG 4.22Å; A34-L187 VanDerWaalsContact O-CD2 3.28Å; A34-L187 WeakPolarHBondContact O-CD2 3.44Å
35R81.7Confident81.6Confident16 Ų1653.1 Ų53.16%0.0630%0.295CS..Hα-helixtrans-65-42168.4-75.7-179.2-173.7161.510.7112I31 G32 S37 A38 L39 I137 L187 V189I31-R35 HydrophobicContact CG2-CG 4.49Å; I31-R35 WeakPolarHBondContact O-CG 3.24Å; I31-R35 PolarHBondContact O-N 3.01Å; G32-R35 PolarHBondContact O-N 2.93Å; R35-S37 PolarHBondContact O-N 3.32Å; R35-A38 PolarHBondContact O-N 2.82Å; R35-L39 WeakPolarHBondContact O-CB 3.45Å; R35-L39 WeakPolarHBondContact O-CG 3.46Å; R35-L39 PolarHBondContact O-N 3.1Å; R35-I137 HydrophobicContact CB-CD1 4.24Å; R35-L187 VanDerWaalsContact CG-O 3.23Å; R35-L187 WeakPolarHBondContact CG-O 3.4Å; R35-L187 PolarHBondContact NE-O 3.4Å; R35-V189 PolarHBondContact NH2-O 3.48Å
36Y82.9Confident79.7Confident92 Ų9257.2 Ų57.236%0.36132%0.317SS..Hα-helixtrans-60.3-43.3176.9178.1-96.7000111.9G32 L33 A40 L54 Y57 V58G32-Y36 WeakPolarHBondContact O-CB 3.42Å; G32-Y36 PolarHBondContact O-N 3.47Å; L33-Y36 WeakPolarHBondContact O-CB 3.42Å; L33-Y36 PolarHBondContact O-N 3.38Å; Y36-A40 VanDerWaalsContact O-CB 3.25Å; Y36-A40 WeakPolarHBondContact O-CB 3.49Å; Y36-A40 PolarHBondContact O-N 3.18Å; Y36-L54 HydrophobicContact CD2-CD1 4.19Å; Y36-L54 HydrophobicContact CE2-CD1 3.8Å; Y36-L54 HydrophobicContact CE2-CG 4.48Å; Y36-Y57 HydrophobicContact CD2-CD1 4.19Å; Y36-Y57 HydrophobicContact CD2-CE1 4.22Å; Y36-V58 HydrophobicContact CD2-CG2 4.09Å; Y36-V58 HydrophobicContact CE2-CG2 3.39Å
37S82.9Confident77.7Confident52 Ų5259.4 Ų59.436%0.36433%0.332SS..Hα-helixtrans-64.5-44.2174.251.80000112.2L33 A34 R35 L39 A40 E41L33-S37 PolarHBondContact O-N 2.93Å; L33-S37 PolarHBondContact O-OG 3.44Å; A34-S37 WeakPolarHBondContact CA-OG 3.3Å; A34-S37 PolarHBondContact O-OG 3.01Å; R35-S37 PolarHBondContact O-N 3.32Å; S37-L39 PolarHBondContact O-N 2.9Å; S37-A40 PolarHBondContact O-N 3.04Å; S37-A40 VanDerWaalsContact O-N 3.16Å; S37-E41 WeakPolarHBondContact O-CB 3.4Å; S37-E41 WeakPolarHBondContact O-CG 3.42Å; S37-E41 PolarHBondContact O-N 2.98Å
38A77.9Confident75.7Confident16 Ų1664.6 Ų64.613%0.13235%0.351CS..Hα-helixtrans-60.8-42.6177.500000112.7A34 R35 A40 E41 S42 L187A34-A38 PolarHBondContact O-N 3.44Å; A34-A38 VanDerWaalsContact O-N 3.08Å; R35-A38 PolarHBondContact O-N 2.82Å; A38-A40 VanDerWaalsContact C-N 3.34Å; A38-E41 PolarHBondContact O-N 3.36Å; A38-S42 WeakPolarHBondContact O-CB 3.39Å; A38-S42 PolarHBondContact O-N 3.37Å; A38-S42 PolarHBondContact O-OG 2.93Å; A38-L187 HydrophobicContact CB-CD2 4.16Å
39L74.1Confident73.9Confident6 Ų667.5 Ų67.53%0.03137%0.366CS..Hα-helixtrans-70.9-26.7176.1-74.2164.6000113.2R35 S37 W44 I137 L141 L188R35-L39 WeakPolarHBondContact O-CB 3.45Å; R35-L39 WeakPolarHBondContact O-CG 3.46Å; R35-L39 PolarHBondContact O-N 3.1Å; S37-L39 PolarHBondContact O-N 2.9Å; L39-W44 HydrophobicContact CB-CZ2 4.24Å; L39-W44 HydrophobicContact CD1-CZ2 3.99Å; L39-W44 HydrophobicContact CD2-CZ2 4.33Å; L39-W44 HydrophobicContact CG-CZ2 4.43Å; L39-W44 PolarHBondContact O-NE1 3.29Å; L39-I137 HydrophobicContact CD1-CD1 3.82Å; L39-I137 HydrophobicContact CD1-CG1 4.22Å; L39-L141 HydrophobicContact CD2-CD2 4.49Å; L39-L188 HydrophobicContact CD1-CD1 4.44Å; L39-L188 HydrophobicContact CD2-CD1 3.94Å; L39-L188 HydrophobicContact CG-CD1 3.94Å
40A77.2Confident71.9Confident62 Ų6269.7 Ų69.751%0.51238%0.376SS..Hα-helixtrans-77-31.5172.700000112.3Y36 S37 A38Y36-A40 VanDerWaalsContact O-CB 3.25Å; Y36-A40 WeakPolarHBondContact O-CB 3.49Å; Y36-A40 PolarHBondContact O-N 3.18Å; S37-A40 PolarHBondContact O-N 3.04Å; S37-A40 VanDerWaalsContact O-N 3.16Å; A38-A40 VanDerWaalsContact C-N 3.34Å
41E78.7Confident70.3Confident166 Ų16666.4 Ų66.478%0.77638%0.376SS*.Hα-helixtrans-80.1-39.7177.4-74.5173.3-165.200113S37 A38 G43S37-E41 WeakPolarHBondContact O-CB 3.4Å; S37-E41 WeakPolarHBondContact O-CG 3.42Å; S37-E41 PolarHBondContact O-N 2.98Å; A38-E41 PolarHBondContact O-N 3.36Å; E41-G43 VanDerWaalsContact C-N 3.26Å; E41-G43 PolarHBondContact O-N 3.42Å
42S67.1Low69.5Low88 Ų8869.2 Ų69.262%0.61540%0.397SS*.Hα-helixtrans-68.3-26.3178.767.10000113.3A38A38-S42 WeakPolarHBondContact O-CB 3.39Å; A38-S42 PolarHBondContact O-N 3.37Å; A38-S42 PolarHBondContact O-OG 2.93Å
43G63.2Low68.9Low42 Ų4269.3 Ų69.343%0.43340%0.397SS..  trans77.8132.9-167.600000111.6E41E41-G43 VanDerWaalsContact C-N 3.26Å; E41-G43 PolarHBondContact O-N 3.42Å
44W61.2Low68.5Low40 Ų4066.9 Ų66.915%0.15238%0.384CS..  trans-76126.6175.4-76.766.8000109.7L39 N46 Q50 L54 E140L39-W44 HydrophobicContact CB-CZ2 4.24Å; L39-W44 HydrophobicContact CD1-CZ2 3.99Å; L39-W44 HydrophobicContact CD2-CZ2 4.33Å; L39-W44 HydrophobicContact CG-CZ2 4.43Å; L39-W44 PolarHBondContact O-NE1 3.29Å; W44-N46 PolarHBondContact O-N 3.18Å; W44-N46 VanDerWaalsContact O-N 3.11Å; W44-Q50 HydrophobicContact CB-CG 4.37Å; W44-L54 HydrophobicContact CZ2-CD1 3.77Å; W44-E140 HydrophobicContact CH2-CB 4.21Å; W44-E140 HydrophobicContact CH2-CG 4.24Å; W44-E140 HydrophobicContact CZ3-CB 3.74Å; W44-E140 HydrophobicContact CZ3-CG 3.83Å
45P54.1Low68.4Low77 Ų7769.8 Ų69.850%0.540%0.404SS..SBendtrans-70.9-10.9-168.625.8-34000114.8E144P45-E144 WeakPolarHBondContact CD-OE1 3.48Å; P45-E144 HydrophobicContact CG-CB 4.26Å; P45-E144 VanDerWaalsContact CG-CD 3.43Å; P45-E144 HydrophobicContact CG-CG 3.59Å; P45-E144 VanDerWaalsContact CG-OE1 3.31Å; P45-E144 WeakPolarHBondContact CG-OE1 3.12Å
46N55.4Low68.7Low87 Ų8772.1 Ų72.147%0.46542%0.417SS..  trans-128.978.8178.2-78.9-69.4000112.2W44 R48 D49W44-N46 PolarHBondContact O-N 3.18Å; W44-N46 VanDerWaalsContact O-N 3.11Å; N46-R48 PolarHBondContact O-N 3.1Å; N46-D49 PolarHBondContact O-N 3.09Å
47A53Low68.9Low75 Ų7568.4 Ų68.462%0.6240%0.402SS*.THydrogen-bonded Turntrans-59-3.4-178.200000116.3
48R50.8Low69.3Low228 Ų22869.1 Ų69.186%0.8640%0.404SS*.THydrogen-bonded Turntrans-90.4-34.2-176.1-160.6172.3-169.4166.42.8114.1N46N46-R48 PolarHBondContact O-N 3.1Å
49D54.3Low70Confident70 Ų7071.1 Ų71.137%0.37442%0.42SS..THydrogen-bonded Turntrans-100-13.4177.9-60.3-10.3000112.1N46 S51 S52 R143N46-D49 PolarHBondContact O-N 3.09Å; D49-S51 PolarHBondContact O-N 2.75Å; D49-S52 PolarHBondContact O-N 3.25Å; D49-S52 PolarHBondContact O-OG 3.23Å; D49-R143 IonicContact OD2-CZ 2.76Å; D49-R143 IonicContact OD2-NH1 2.63Å; D49-R143 PolarHBondContact OD2-NH1 2.88Å; D49-R143 IonicContact OD2-NH2 2.83Å; D49-R143 PolarHBondContact OD2-NH2 3.42Å
50Q52.4Low71Confident71 Ų7172.4 Ų72.433%0.33243%0.426SS..Hα-helixtrans-41.6-27.4-179.8-173.8-177.322.900115.7W44 L54W44-Q50 HydrophobicContact CB-CG 4.37Å; Q50-L54 HydrophobicContact CG-CD2 4.37Å; Q50-L54 VanDerWaalsContact O-CB 3.24Å; Q50-L54 WeakPolarHBondContact O-CB 3.13Å
51S58.8Low71.7Confident89 Ų8969.9 Ų69.962%0.62240%0.404SS*.Hα-helixtrans-75.6-24-172.361.90000114.6D49 S55D49-S51 PolarHBondContact O-N 2.75Å; S51-S55 VanDerWaalsContact O-CB 3.22Å; S51-S55 WeakPolarHBondContact O-CB 3.38Å; S51-S55 PolarHBondContact O-OG 3.12Å
52S71.8Confident72.5Confident73 Ų7363.9 Ų63.951%0.5139%0.386SS..Hα-helixtrans-92.3-60.3-172.164.80000113.2D49 S55 L56D49-S52 PolarHBondContact O-N 3.25Å; D49-S52 PolarHBondContact O-OG 3.23Å; S52-S55 PolarHBondContact O-N 2.89Å; S52-L56 WeakPolarHBondContact O-CG 3.23Å; S52-L56 PolarHBondContact O-N 3.2Å
53S75Confident73.8Confident8 Ų862.9 Ų62.96%0.05638%0.376CS..Hα-helixtrans-67.2-39-176.852.80000113.1L56 Y57 E140S53-L56 PolarHBondContact O-N 2.79Å; S53-Y57 WeakPolarHBondContact O-CB 3.11Å; S53-Y57 PolarHBondContact O-N 3.21Å; S53-E140 WeakPolarHBondContact CB-OE1 3.39Å; S53-E140 PolarHBondContact OG-OE1 3.24Å
54L78.9Confident75.4Confident32 Ų3261 Ų6117%0.16836%0.356CS..Hα-helixtrans-64.5-41.9174.8-170.163.2000111.9Y36 W44 Q50 Y57 V58Y36-L54 HydrophobicContact CD2-CD1 4.19Å; Y36-L54 HydrophobicContact CE2-CD1 3.8Å; Y36-L54 HydrophobicContact CE2-CG 4.48Å; W44-L54 HydrophobicContact CZ2-CD1 3.77Å; Q50-L54 HydrophobicContact CG-CD2 4.37Å; Q50-L54 VanDerWaalsContact O-CB 3.24Å; Q50-L54 WeakPolarHBondContact O-CB 3.13Å; L54-Y57 PolarHBondContact O-N 2.9Å; L54-V58 WeakPolarHBondContact O-CG2 3.4Å; L54-V58 PolarHBondContact O-N 3.45Å
55S84.8Confident77Confident76 Ų7663.2 Ų63.253%0.53137%0.37SS..Hα-helixtrans-64.7-39.9176.1-63.20000111.9S51 S52 A59S51-S55 VanDerWaalsContact O-CB 3.22Å; S51-S55 WeakPolarHBondContact O-CB 3.38Å; S51-S55 PolarHBondContact O-OG 3.12Å; S52-S55 PolarHBondContact O-N 2.89Å; S55-A59 VanDerWaalsContact O-CB 3.23Å; S55-A59 WeakPolarHBondContact O-CB 3.31Å; S55-A59 PolarHBondContact O-N 3.22Å
56L87.9Confident79Confident64 Ų6463 Ų6334%0.33538%0.375SS..Hα-helixtrans-62.9-45.9173.1-74167.5000111.5S52 S53 V58 A59 F60 L136 L276S52-L56 WeakPolarHBondContact O-CG 3.23Å; S52-L56 PolarHBondContact O-N 3.2Å; S53-L56 PolarHBondContact O-N 2.79Å; L56-V58 PolarHBondContact O-N 3.46Å; L56-A59 PolarHBondContact O-N 2.91Å; L56-F60 HydrophobicContact CB-CE2 4.41Å; L56-F60 WeakPolarHBondContact O-CD2 3.43Å; L56-F60 PolarHBondContact O-N 3.26Å; L56-L136 HydrophobicContact CB-CD1 4.48Å; L56-L276 HydrophobicContact CD1-CD2 4.02Å; L56-L276 HydrophobicContact CD2-CD2 4.45Å
57Y88.5Confident81Confident15 Ų1560.8 Ų60.86%0.05936%0.363CS..Hα-helixtrans-58.8-46.3178.3-176.1-86.8000112.3G32 Y36 S53 L54 H61 C133 I137G32-Y57 WeakPolarHBondContact CA-OH 3.23Å; G32-Y57 PolarHBondContact O-OH 2.82Å; G32-Y57 VanDerWaalsContact O-OH 3.1Å; Y36-Y57 HydrophobicContact CD2-CD1 4.19Å; Y36-Y57 HydrophobicContact CD2-CE1 4.22Å; S53-Y57 WeakPolarHBondContact O-CB 3.11Å; S53-Y57 PolarHBondContact O-N 3.21Å; L54-Y57 PolarHBondContact O-N 2.9Å; Y57-H61 AromaticContact CD1-ND1 3.73Å; Y57-H61 AromaticContact CE1-CE1 3.39Å; Y57-H61 WeakPolarHBondContact CE1-CE1 3.47Å; Y57-H61 AromaticContact CE1-ND1 3.45Å; Y57-H61 WeakPolarHBondContact CE1-ND1 3.31Å; Y57-H61 AromaticContact CE2-CE1 3.56Å; Y57-H61 AromaticContact CZ-CE1 3.13Å; Y57-H61 AromaticContact CZ-ND1 3.69Å; Y57-H61 AromaticContact CZ-NE2 3.93Å; Y57-H61 PolarHBondContact O-N 2.92Å; Y57-H61 VanDerWaalsContact O-N 3.12Å; Y57-H61 PolarHBondContact O-ND1 3.35Å; Y57-H61 PolarHBondContact OH-CE1 3.37Å; Y57-H61 VanDerWaalsContact OH-CE1 3.29Å; Y57-C133 HydrophobicContact CD2-CB 3.93Å; Y57-C133 HydrophobicContact CE2-CB 3.73Å; Y57-C133 WeakPolarHBondContact CE2-O 3.04Å; Y57-I137 HydrophobicContact CD2-CD1 4.11Å; Y57-I137 HydrophobicContact CD2-CG1 3.99Å; Y57-I137 HydrophobicContact CE1-CD1 4.48Å; Y57-I137 HydrophobicContact CE2-CD1 3.28Å; Y57-I137 HydrophobicContact CE2-CG1 3.6Å; Y57-I137 VanDerWaalsContact CZ-CD1 3.5Å; Y57-I137 WeakPolarHBondContact OH-CD1 3.12Å
58V91.1Very high83Confident67 Ų6758.7 Ų58.741%0.40634%0.341SS..Hα-helixtrans-65.7-41.2175.7173.20000111.2Y36 L54 L56 H61 G62Y36-V58 HydrophobicContact CD2-CG2 4.09Å; Y36-V58 HydrophobicContact CE2-CG2 3.39Å; L54-V58 WeakPolarHBondContact O-CG2 3.4Å; L54-V58 PolarHBondContact O-N 3.45Å; L56-V58 PolarHBondContact O-N 3.46Å; V58-H61 PolarHBondContact O-N 2.89Å; V58-G62 PolarHBondContact O-N 2.59Å
59A92.6Very high85.1Confident57 Ų5751.8 Ų51.847%0.47133%0.326SS..Hα-helixtrans-62.5-43.8177.300000112.3S55 L56 G62 V63S55-A59 VanDerWaalsContact O-CB 3.23Å; S55-A59 WeakPolarHBondContact O-CB 3.31Å; S55-A59 PolarHBondContact O-N 3.22Å; L56-A59 PolarHBondContact O-N 2.91Å; A59-G62 PolarHBondContact O-N 3.29Å; A59-V63 WeakPolarHBondContact O-CG2 3.28Å; A59-V63 PolarHBondContact O-N 3.15Å
60F93.9Very high87.1Confident33 Ų3352.3 Ų52.315%0.14533%0.325CS..Hα-helixtrans-63.2-40.4175-77.6-60.7000112.2L56 V63 I64 A129 V132 C133 L136 L276 L280L56-F60 HydrophobicContact CB-CE2 4.41Å; L56-F60 WeakPolarHBondContact O-CD2 3.43Å; L56-F60 PolarHBondContact O-N 3.26Å; F60-V63 PolarHBondContact O-N 3.46Å; F60-I64 VanDerWaalsContact O-CG1 3.29Å; F60-I64 WeakPolarHBondContact O-CG1 3.42Å; F60-I64 PolarHBondContact O-N 3.01Å; F60-A129 HydrophobicContact CB-CB 4.41Å; F60-A129 HydrophobicContact CD1-CB 3.93Å; F60-V132 HydrophobicContact CD2-CG1 4.17Å; F60-V132 HydrophobicContact CE2-CG1 3.56Å; F60-V132 HydrophobicContact CZ-CG1 3.81Å; F60-C133 WeakPolarHBondContact CB-SG 3.35Å; F60-L136 HydrophobicContact CD2-CD1 4.08Å; F60-L136 HydrophobicContact CE2-CD1 4.16Å; F60-L276 HydrophobicContact CE2-CD2 4.24Å; F60-L276 HydrophobicContact CZ-CD2 4.37Å; F60-L280 HydrophobicContact CZ-CD1 4.29Å
61H93.2Very high89.2Confident10 Ų1049 Ų495%0.04631%0.309CS..Hα-helixtrans-64.5-38.6173.5-78.578.9000112.4Y57 V58 V63 I64 I65 C133Y57-H61 AromaticContact CD1-ND1 3.73Å; Y57-H61 AromaticContact CE1-CE1 3.39Å; Y57-H61 WeakPolarHBondContact CE1-CE1 3.47Å; Y57-H61 AromaticContact CE1-ND1 3.45Å; Y57-H61 WeakPolarHBondContact CE1-ND1 3.31Å; Y57-H61 AromaticContact CE2-CE1 3.56Å; Y57-H61 AromaticContact CZ-CE1 3.13Å; Y57-H61 AromaticContact CZ-ND1 3.69Å; Y57-H61 AromaticContact CZ-NE2 3.93Å; Y57-H61 PolarHBondContact O-N 2.92Å; Y57-H61 VanDerWaalsContact O-N 3.12Å; Y57-H61 PolarHBondContact O-ND1 3.35Å; Y57-H61 PolarHBondContact OH-CE1 3.37Å; Y57-H61 VanDerWaalsContact OH-CE1 3.29Å; V58-H61 PolarHBondContact O-N 2.89Å; H61-V63 PolarHBondContact O-N 2.88Å; H61-I64 PolarHBondContact O-N 3.23Å; H61-I65 VanDerWaalsContact O-CG1 3.3Å; H61-I65 WeakPolarHBondContact O-CG1 3.14Å; H61-I65 PolarHBondContact O-N 3.45Å; H61-C133 PolarHBondContact CE1-SG 3Å
62G94.3Very high90.9Very high40 Ų4046.9 Ų46.941%0.41229%0.293SS..Hα-helixtrans-60.3-42.217100000112.9V58 A59 I65 A66V58-G62 PolarHBondContact O-N 2.59Å; A59-G62 PolarHBondContact O-N 3.29Å; G62-I65 PolarHBondContact O-N 3.22Å; G62-A66 WeakPolarHBondContact O-CB 3.26Å; G62-A66 PolarHBondContact O-N 3.21Å
63V95.1Very high92Very high67 Ų6747.9 Ų47.941%0.40629%0.288SS..Hα-helixtrans-64.3-42.4174.6169.20000111.6A59 F60 H61 A66 L67A59-V63 WeakPolarHBondContact O-CG2 3.28Å; A59-V63 PolarHBondContact O-N 3.15Å; F60-V63 PolarHBondContact O-N 3.46Å; H61-V63 PolarHBondContact O-N 2.88Å; V63-A66 PolarHBondContact O-N 3.48Å; V63-L67 HydrophobicContact CG1-CD1 3.67Å; V63-L67 HydrophobicContact CG1-CG 4.24Å; V63-L67 WeakPolarHBondContact O-CB 3.37Å; V63-L67 VanDerWaalsContact O-CG 3.29Å; V63-L67 WeakPolarHBondContact O-CG 3.43Å; V63-L67 PolarHBondContact O-N 3.42Å
64I96.2Very high92.9Very high1 Ų147.5 Ų47.51%0.00529%0.285CS..Hα-helixtrans-59.7-49.2175.6-70.9161.2000110.7L29 F60 H61 A66 L67 L68 I126 A129 F130L29-I64 HydrophobicContact CD1-CG2 4.46Å; F60-I64 VanDerWaalsContact O-CG1 3.29Å; F60-I64 WeakPolarHBondContact O-CG1 3.42Å; F60-I64 PolarHBondContact O-N 3.01Å; H61-I64 PolarHBondContact O-N 3.23Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 2.83Å; I64-L67 PolarHBondContact O-N 3.32Å; I64-L68 WeakPolarHBondContact O-CB 3.49Å; I64-L68 PolarHBondContact O-N 3.28Å; I64-I126 HydrophobicContact CG1-CG2 4.36Å; I64-I126 HydrophobicContact CG2-CG2 4.2Å; I64-A129 HydrophobicContact CD1-CB 3.82Å; I64-A129 HydrophobicContact CG1-CB 3.76Å; I64-F130 HydrophobicContact CD1-CD1 3.75Å; I64-F130 HydrophobicContact CD1-CD2 4.1Å; I64-F130 HydrophobicContact CD1-CE1 3.87Å; I64-F130 HydrophobicContact CD1-CE2 4.22Å; I64-F130 HydrophobicContact CD1-CG 3.87Å; I64-F130 HydrophobicContact CD1-CZ 4.12Å; I64-F130 HydrophobicContact CG2-CE1 4.32Å; I64-F130 HydrophobicContact CG2-CE2 3.84Å; I64-F130 HydrophobicContact CG2-CZ 3.64Å
65I95.9Very high93.6Very high87 Ų8746 Ų4645%0.44628%0.277SS..Hα-helixtrans-61.8-38.7178.7-68.4164.7000111.3L29 H61 G62 P69L29-I65 HydrophobicContact CD1-CD1 4.28Å; L29-I65 HydrophobicContact CD1-CG1 4.03Å; L29-I65 HydrophobicContact CD2-CG1 3.97Å; H61-I65 VanDerWaalsContact O-CG1 3.3Å; H61-I65 WeakPolarHBondContact O-CG1 3.14Å; H61-I65 PolarHBondContact O-N 3.45Å; G62-I65 PolarHBondContact O-N 3.22Å; I65-P69 WeakPolarHBondContact O-CD 3.25Å
66A95.9Very high94Very high72 Ų7244.7 Ų44.760%0.59526%0.264SS*.Hα-helixtrans-71.4-33.2177.800000113.5G62 V63 I64G62-A66 WeakPolarHBondContact O-CB 3.26Å; G62-A66 PolarHBondContact O-N 3.21Å; V63-A66 PolarHBondContact O-N 3.48Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 2.83Å
67L96.3Very high94.2Very high41 Ų4144.6 Ų44.622%0.21526%0.261CS..Hα-helixtrans-85.9-28-178.2-70.9177.7000113.8V63 I64 F70 F71 V122 I125 I126V63-L67 HydrophobicContact CG1-CD1 3.67Å; V63-L67 HydrophobicContact CG1-CG 4.24Å; V63-L67 WeakPolarHBondContact O-CB 3.37Å; V63-L67 VanDerWaalsContact O-CG 3.29Å; V63-L67 WeakPolarHBondContact O-CG 3.43Å; V63-L67 PolarHBondContact O-N 3.42Å; I64-L67 PolarHBondContact O-N 3.32Å; L67-F70 WeakPolarHBondContact O-CA 3.17Å; L67-F70 WeakPolarHBondContact O-CB 3.35Å; L67-F70 PolarHBondContact O-N 2.95Å; L67-F71 PolarHBondContact O-N 3Å; L67-V122 HydrophobicContact CB-CG1 4.06Å; L67-V122 HydrophobicContact CD2-CG1 4.43Å; L67-I125 HydrophobicContact CD1-CB 4.33Å; L67-I125 HydrophobicContact CD1-CG2 3.57Å; L67-I126 HydrophobicContact CB-CD1 3.84Å; L67-I126 HydrophobicContact CB-CG1 3.81Å; L67-I126 HydrophobicContact CD1-CG1 4.24Å
68L95.6Very high94.3Very high31 Ų3145 Ų4516%0.16226%0.263CS..Hα-helixtrans-57-43.6-176.8-178.464.8000113.6V22 Q25 I64 F70 F71 V72V22-L68 HydrophobicContact CG2-CD1 4.42Å; Q25-L68 HydrophobicContact CB-CD1 4.33Å; Q25-L68 VanDerWaalsContact OE1-CD1 3.32Å; I64-L68 WeakPolarHBondContact O-CB 3.49Å; I64-L68 PolarHBondContact O-N 3.28Å; L68-F70 VanDerWaalsContact C-N 3.29Å; L68-F70 PolarHBondContact O-N 3.31Å; L68-F71 HydrophobicContact CD1-CD1 4.39Å; L68-F71 WeakPolarHBondContact O-CB 3.4Å; L68-F71 PolarHBondContact O-N 3.32Å; L68-V72 WeakPolarHBondContact O-CG2 3.49Å; L68-V72 PolarHBondContact O-N 2.85Å
69P95.7Very high94.1Very high84 Ų8442.2 Ų42.255%0.54525%0.246SC..Hα-helixtrans-63.6-32.4174.2-22.934.5000113.5I65 F73I65-P69 WeakPolarHBondContact O-CD 3.25Å; P69-F73 WeakPolarHBondContact O-CB 3.44Å; P69-F73 PolarHBondContact O-N 2.84Å
70F94.9Very high93.6Very high81 Ų8140.2 Ų40.236%0.35523%0.231SC..Hα-helixtrans-75.2-33.9177.8-177.5-113.3000112L67 L68 S74 W112 V118 V122L67-F70 WeakPolarHBondContact O-CA 3.17Å; L67-F70 WeakPolarHBondContact O-CB 3.35Å; L67-F70 PolarHBondContact O-N 2.95Å; L68-F70 VanDerWaalsContact C-N 3.29Å; L68-F70 PolarHBondContact O-N 3.31Å; F70-S74 WeakPolarHBondContact O-CB 3.48Å; F70-S74 PolarHBondContact O-N 2.68Å; F70-S74 PolarHBondContact O-OG 2.71Å; F70-W112 HydrophobicContact CZ-CH2 4.2Å; F70-V118 HydrophobicContact CE1-CG1 3.79Å; F70-V118 HydrophobicContact CZ-CG1 3.77Å; F70-V122 HydrophobicContact CD1-CG1 4.24Å; F70-V122 HydrophobicContact CD1-CG2 3.55Å; F70-V122 HydrophobicContact CE1-CG2 3.53Å
71F96Very high93.3Very high0 Ų038.7 Ų38.70%023%0.225CC..Hα-helixtrans-59.5-52167.7176.1-120.7000111.1Y17 F21 V22 L67 L68 F73 S74 A75 S119 V122 H123 I126Y17-F71 HydrophobicContact CD1-CE2 4.44Å; Y17-F71 HydrophobicContact CD1-CZ 4.29Å; Y17-F71 AromaticContact CE1-CE2 3.81Å; Y17-F71 HydrophobicContact CE1-CE2 3.81Å; Y17-F71 AromaticContact CE1-CZ 3.93Å; Y17-F71 HydrophobicContact CE1-CZ 3.93Å; F21-F71 HydrophobicContact CB-CE1 3.96Å; F21-F71 HydrophobicContact CB-CZ 3.98Å; V22-F71 HydrophobicContact CG2-CD1 4.01Å; V22-F71 HydrophobicContact CG2-CE1 3.95Å; L67-F71 PolarHBondContact O-N 3Å; L68-F71 HydrophobicContact CD1-CD1 4.39Å; L68-F71 WeakPolarHBondContact O-CB 3.4Å; L68-F71 PolarHBondContact O-N 3.32Å; F71-F73 PolarHBondContact O-N 2.96Å; F71-S74 PolarHBondContact O-N 3.35Å; F71-S74 PolarHBondContact O-OG 2.78Å; F71-A75 HydrophobicContact CE2-CB 4.49Å; F71-A75 WeakPolarHBondContact O-CB 3.32Å; F71-A75 PolarHBondContact O-N 3.41Å; F71-S119 VanDerWaalsContact CD2-O 3.32Å; F71-S119 WeakPolarHBondContact CD2-O 3.29Å; F71-S119 WeakPolarHBondContact CE2-O 3.33Å; F71-V122 HydrophobicContact CB-CG1 3.87Å; F71-H123 HydrophobicContact CD2-CB 4.07Å; F71-H123 HydrophobicContact CE2-CB 3.71Å; F71-H123 HydrophobicContact CZ-CB 4.2Å; F71-I126 HydrophobicContact CB-CD1 4.18Å
72V96.1Very high93Very high46 Ų4639.4 Ų39.428%0.27923%0.229SC..Hα-helixtrans-54.3-50.8177.2173.10000111.4V22 L68 S74 A75 I76V22-V72 HydrophobicContact CG1-CG2 4.49Å; V22-V72 HydrophobicContact CG2-CG2 3.59Å; L68-V72 WeakPolarHBondContact O-CG2 3.49Å; L68-V72 PolarHBondContact O-N 2.85Å; V72-S74 PolarHBondContact O-N 3.47Å; V72-A75 PolarHBondContact O-N 3.37Å; V72-I76 HydrophobicContact CG1-CD1 3.74Å; V72-I76 WeakPolarHBondContact O-CB 3.24Å; V72-I76 WeakPolarHBondContact O-CG1 3.33Å; V72-I76 PolarHBondContact O-N 3Å; V72-I76 VanDerWaalsContact O-N 3.11Å
73F94.6Very high92.7Very high93 Ų9337.7 Ų37.741%0.40821%0.211SC..Hα-helixtrans-62-46.1-179.2-176.2-93.9000112.4Y5 P69 F71 A75 F77Y5-F73 HydrophobicContact CE1-CZ 4.31Å; P69-F73 WeakPolarHBondContact O-CB 3.44Å; P69-F73 PolarHBondContact O-N 2.84Å; F71-F73 PolarHBondContact O-N 2.96Å; F73-A75 PolarHBondContact O-N 3.46Å; F73-F77 AromaticContact CD2-CD2 3.68Å; F73-F77 HydrophobicContact CD2-CD2 3.68Å; F73-F77 HydrophobicContact CD2-CE2 4.11Å; F73-F77 AromaticContact CE2-CD2 3.68Å; F73-F77 HydrophobicContact CE2-CD2 3.68Å; F73-F77 HydrophobicContact CE2-CE2 4.16Å; F73-F77 HydrophobicContact CE2-CG 4.35Å; F73-F77 HydrophobicContact CG-CD2 4.35Å; F73-F77 HydrophobicContact CZ-CD2 4.35Å; F73-F77 PolarHBondContact O-N 3.38Å
74S93.6Very high92.5Very high0 Ų034.8 Ų34.80%019%0.193CC..Hα-helixtrans-74.3-21-176.757.90000114.6F70 F71 V72 N84F70-S74 WeakPolarHBondContact O-CB 3.48Å; F70-S74 PolarHBondContact O-N 2.68Å; F70-S74 PolarHBondContact O-OG 2.71Å; F71-S74 PolarHBondContact O-N 3.35Å; F71-S74 PolarHBondContact O-OG 2.78Å; V72-S74 PolarHBondContact O-N 3.47Å; S74-N84 PolarHBondContact O-ND2 3.24Å; S74-N84 PolarHBondContact O-OD1 3.34Å
75A93.1Very high92.1Very high0 Ų034.9 Ų34.90%019%0.193CC..Hα-helixtrans-86-35.6174.300000112.8N10 S14 C18 F71 V72 F73N10-A75 WeakPolarHBondContact CB-O 3.46Å; S14-A75 WeakPolarHBondContact CB-O 3.43Å; S14-A75 PolarHBondContact OG-O 2.92Å; C18-A75 HydrophobicContact CB-CB 3.62Å; F71-A75 HydrophobicContact CE2-CB 4.49Å; F71-A75 WeakPolarHBondContact O-CB 3.32Å; F71-A75 PolarHBondContact O-N 3.41Å; V72-A75 PolarHBondContact O-N 3.37Å; F73-A75 PolarHBondContact O-N 3.46Å
76I94.1Very high91.5Very high49 Ų4932.3 Ų32.325%0.25119%0.189SC..Hα-helixtrans-79.1-42.2-179.9-66.3174.7000112.5L9 N10 C18 V72L9-I76 HydrophobicContact CD2-CG2 3.92Å; N10-I76 PolarHBondContact N-O 3.46Å; C18-I76 HydrophobicContact CB-CG1 4.44Å; V72-I76 HydrophobicContact CG1-CD1 3.74Å; V72-I76 WeakPolarHBondContact O-CB 3.24Å; V72-I76 WeakPolarHBondContact O-CG1 3.33Å; V72-I76 PolarHBondContact O-N 3Å; V72-I76 VanDerWaalsContact O-N 3.11Å
77F92.1Very high90.8Very high62 Ų6231 Ų3127%0.27217%0.17SC..BIsolated β-bridgetrans-109148.3-176.8-59.9-77000111.9P7 E8 L9 F73 V79P7-F77 HydrophobicContact CB-CD1 4.19Å; P7-F77 HydrophobicContact CB-CE1 4.36Å; E8-F77 WeakPolarHBondContact O-CA 3.25Å; L9-F77 HydrophobicContact CD2-CD1 4.08Å; L9-F77 HydrophobicContact CD2-CE1 3.91Å; F73-F77 AromaticContact CD2-CD2 3.68Å; F73-F77 HydrophobicContact CD2-CD2 3.68Å; F73-F77 HydrophobicContact CD2-CE2 4.11Å; F73-F77 AromaticContact CE2-CD2 3.68Å; F73-F77 HydrophobicContact CE2-CD2 3.68Å; F73-F77 HydrophobicContact CE2-CE2 4.16Å; F73-F77 HydrophobicContact CE2-CG 4.35Å; F73-F77 HydrophobicContact CG-CD2 4.35Å; F73-F77 HydrophobicContact CZ-CD2 4.35Å; F73-F77 PolarHBondContact O-N 3.38Å; F77-V79 PolarHBondContact O-N 3.01Å
78K89.8Confident90.1Very high23 Ų2332.5 Ų32.510%0.117%0.173CC..  trans-65127.6169.7-68.6-167.5-174.5174.40110.4Y5 E8 D85 E87 V96Y5-K78 WeakPolarHBondContact CE2-O 3.35Å; Y5-K78 PolarHBondContact OH-O 3.35Å; E8-K78 HydrophobicContact CB-CB 4.42Å; E8-K78 HydrophobicContact CB-CD 3.97Å; E8-K78 HydrophobicContact CB-CG 4.19Å; E8-K78 PolarHBondContact O-N 2.92Å; E8-K78 WeakPolarHBondContact OE2-CE 3.44Å; E8-K78 IonicContact OE2-NZ 3.76Å; E8-K78 PolarHBondContact OE2-NZ 3.37Å; K78-D85 WeakPolarHBondContact CA-OD1 3.48Å; K78-D85 HydrophobicContact CB-CB 4.33Å; K78-D85 HydrophobicContact CD-CB 4.32Å; K78-D85 HydrophobicContact CG-CB 4.07Å; K78-E87 WeakPolarHBondContact CE-OE1 3.36Å; K78-E87 IonicContact NZ-OE1 2.65Å; K78-E87 PolarHBondContact NZ-OE1 3.38Å; K78-V96 HydrophobicContact CD-CG2 4.4Å
79V87.9Confident89Confident9 Ų932.2 Ų32.26%0.05517%0.171CC..  trans-100.6-0.7-178.2-56.40000113.8F77 N81 N84 D85 I97 W112 V118F77-V79 PolarHBondContact O-N 3.01Å; V79-N81 HydrophobicContact CG2-CB 3.72Å; V79-N84 HydrophobicContact CG2-CB 4.22Å; V79-D85 PolarHBondContact N-OD1 3.03Å; V79-D85 PolarHBondContact N-OD2 3.4Å; V79-I97 WeakPolarHBondContact O-CD1 3.41Å; V79-W112 HydrophobicContact CB-CZ2 4.25Å; V79-W112 HydrophobicContact CG2-CZ2 4.33Å; V79-W112 PolarHBondContact O-NE1 3.32Å; V79-V118 HydrophobicContact CG2-CB 4.27Å; V79-V118 HydrophobicContact CG2-CG2 4Å
80G81.7Confident87.4Confident15 Ų1528.4 Ų28.416%0.15515%0.147CC..SBendtrans7527.6-17100000113D85 I113G80-D85 VanDerWaalsContact CA-OD2 3.27Å; G80-D85 WeakPolarHBondContact CA-OD2 3.5Å; G80-D85 PolarHBondContact N-OD2 3.41Å; G80-I113 WeakPolarHBondContact O-CG1 3.29Å
81N87.7Confident85.8Confident2 Ų228.2 Ų28.21%0.01115%0.147CC..  trans-112120.8170.7171.2-79.9000108.2V79 A83 N84 D85 W112 G115 L116 V118V79-N81 HydrophobicContact CG2-CB 3.72Å; N81-A83 PolarHBondContact O-N 2.96Å; N81-A83 PolarHBondContact OD1-N 3.44Å; N81-N84 HydrophobicContact CB-CB 3.95Å; N81-N84 PolarHBondContact O-N 2.9Å; N81-N84 VanDerWaalsContact O-N 3.15Å; N81-N84 WeakPolarHBondContact OD1-CB 3.4Å; N81-N84 PolarHBondContact OD1-N 3.5Å; N81-D85 PolarHBondContact N-OD2 2.88Å; N81-D85 VanDerWaalsContact N-OD2 3.1Å; N81-D85 WeakPolarHBondContact O-CB 3.19Å; N81-D85 PolarHBondContact O-N 3.27Å; N81-W112 PolarHBondContact ND2-O 2.96Å; N81-G115 PolarHBondContact ND2-O 3.26Å; N81-L116 PolarHBondContact ND2-O 2.96Å; N81-L116 VanDerWaalsContact ND2-O 3.15Å; N81-V118 HydrophobicContact CB-CG2 3.82Å
82L85.5Confident83.8Confident25 Ų2535.1 Ų35.113%0.13118%0.177CC..THydrogen-bonded Turntrans-64.1-31-165.9-160.172000112.5E87 I89 I113 V217L82-E87 HydrophobicContact CD1-CB 3.58Å; L82-E87 HydrophobicContact CG-CB 4.33Å; L82-E87 PolarHBondContact O-N 2.81Å; L82-E87 VanDerWaalsContact O-O 3.08Å; L82-I89 HydrophobicContact CD2-CB 4.33Å; L82-I89 HydrophobicContact CD2-CG1 3.44Å; L82-I89 VanDerWaalsContact CD2-CG1 3.44Å; L82-I113 HydrophobicContact CB-CG2 4.41Å; L82-I113 WeakPolarHBondContact CB-O 3.42Å; L82-I113 PolarHBondContact N-O 3.31Å; L82-V217 HydrophobicContact CD2-CG1 3.62Å; L82-V217 HydrophobicContact CG-CG1 4.1Å
83A89.3Confident81.6Confident4 Ų438.5 Ų38.53%0.03319%0.19CC..THydrogen-bonded Turntrans-81.7-30.9179.200000113.7N81 P117 Y214 V217N81-A83 PolarHBondContact O-N 2.96Å; N81-A83 PolarHBondContact OD1-N 3.44Å; A83-P117 HydrophobicContact CB-CB 3.75Å; A83-P117 HydrophobicContact CB-CG 4.49Å; A83-Y214 HydrophobicContact CB-CD2 3.78Å; A83-Y214 HydrophobicContact CB-CE2 4.34Å; A83-V217 VanDerWaalsContact CA-CG2 3.42Å; A83-V217 HydrophobicContact CB-CG2 3.65Å
84N90.8Very high79.4Confident5 Ų540 Ų403%0.02720%0.198CC..THydrogen-bonded Turntrans-74.6-40176.1-176.385000112.5N10 S74 V79 N81 G86 V118 S119N10-N84 PolarHBondContact ND2-O 3.3Å; S74-N84 PolarHBondContact O-ND2 3.24Å; S74-N84 PolarHBondContact O-OD1 3.34Å; V79-N84 HydrophobicContact CG2-CB 4.22Å; N81-N84 HydrophobicContact CB-CB 3.95Å; N81-N84 PolarHBondContact O-N 2.9Å; N81-N84 VanDerWaalsContact O-N 3.15Å; N81-N84 WeakPolarHBondContact OD1-CB 3.4Å; N81-N84 PolarHBondContact OD1-N 3.5Å; N84-G86 VanDerWaalsContact C-N 3.26Å; N84-G86 PolarHBondContact O-N 3.3Å; N84-V118 HydrophobicContact CB-CB 4.34Å; N84-S119 VanDerWaalsContact OD1-CB 3.25Å; N84-S119 WeakPolarHBondContact OD1-CB 3.47Å; N84-S119 PolarHBondContact OD1-N 3.3Å; N84-S119 PolarHBondContact OD1-OG 2.94Å
85D87.8Confident77.4Confident3 Ų343.6 Ų43.62%0.01622%0.221CC..SBendtrans-87.62.9-169.7-57.4-16.2000112.2K78 V79 G80 N81 E87K78-D85 WeakPolarHBondContact CA-OD1 3.48Å; K78-D85 HydrophobicContact CB-CB 4.33Å; K78-D85 HydrophobicContact CD-CB 4.32Å; K78-D85 HydrophobicContact CG-CB 4.07Å; V79-D85 PolarHBondContact N-OD1 3.03Å; V79-D85 PolarHBondContact N-OD2 3.4Å; G80-D85 VanDerWaalsContact CA-OD2 3.27Å; G80-D85 WeakPolarHBondContact CA-OD2 3.5Å; G80-D85 PolarHBondContact N-OD2 3.41Å; N81-D85 PolarHBondContact N-OD2 2.88Å; N81-D85 VanDerWaalsContact N-OD2 3.1Å; N81-D85 WeakPolarHBondContact O-CB 3.19Å; N81-D85 PolarHBondContact O-N 3.27Å; D85-E87 HydrophobicContact CB-CG 4.42Å; D85-E87 PolarHBondContact O-N 3.27Å
86G82.8Confident75.6Confident34 Ų3444.7 Ų44.735%0.35123%0.228SC..  trans72.63.118000000115.2N84N84-G86 VanDerWaalsContact C-N 3.26Å; N84-G86 PolarHBondContact O-N 3.3Å
87E82Confident73.7Confident43 Ų4344.9 Ų44.920%0.20123%0.229CC..  trans-76155.4-176.1-69.6-176.4-179.700111.9K78 L82 D85K78-E87 WeakPolarHBondContact CE-OE1 3.36Å; K78-E87 IonicContact NZ-OE1 2.65Å; K78-E87 PolarHBondContact NZ-OE1 3.38Å; L82-E87 HydrophobicContact CD1-CB 3.58Å; L82-E87 HydrophobicContact CG-CB 4.33Å; L82-E87 PolarHBondContact O-N 2.81Å; L82-E87 VanDerWaalsContact O-O 3.08Å; D85-E87 HydrophobicContact CB-CG 4.42Å; D85-E87 PolarHBondContact O-N 3.27Å
88R81.6Confident71.8Confident73 Ų7350 Ų5028%0.27525%0.247SC..  trans-126.8137-168.6-65.3171.2175.3157.40.2109.9A90 E91 V217 R220R88-A90 PolarHBondContact O-N 3.38Å; R88-E91 HydrophobicContact CB-CB 4.44Å; R88-E91 WeakPolarHBondContact O-CB 3.43Å; R88-E91 PolarHBondContact O-N 3Å; R88-V217 WeakPolarHBondContact CA-O 3.29Å; R88-R220 HydrophobicContact CB-CB 4.43Å
89I72.9Confident69.9Low26 Ų2651.1 Ų51.113%0.13326%0.255CS..THydrogen-bonded Turntrans-60.3-28-168.7-51.3159.7000112.8L82 E91 V217 F218 Y298 F301L82-I89 HydrophobicContact CD2-CB 4.33Å; L82-I89 HydrophobicContact CD2-CG1 3.44Å; L82-I89 VanDerWaalsContact CD2-CG1 3.44Å; I89-E91 PolarHBondContact O-N 3.24Å; I89-V217 HydrophobicContact CD1-CG1 3.7Å; I89-V217 HydrophobicContact CG1-CG1 3.5Å; I89-V217 PolarHBondContact N-O 3.16Å; I89-F218 HydrophobicContact CD1-CD1 3.63Å; I89-F218 HydrophobicContact CD1-CE1 3.3Å; I89-F218 HydrophobicContact CD1-CG 4.39Å; I89-F218 HydrophobicContact CD1-CZ 3.83Å; I89-Y298 HydrophobicContact CD1-CD2 4.21Å; I89-F301 HydrophobicContact CB-CE1 4.45Å; I89-F301 HydrophobicContact CB-CE2 4.45Å; I89-F301 HydrophobicContact CB-CZ 4.36Å; I89-F301 HydrophobicContact CG2-CD1 3.55Å; I89-F301 HydrophobicContact CG2-CD2 4.32Å; I89-F301 HydrophobicContact CG2-CE1 3.31Å; I89-F301 HydrophobicContact CG2-CE2 4.1Å; I89-F301 HydrophobicContact CG2-CG 4.08Å; I89-F301 HydrophobicContact CG2-CZ 3.61Å
90A61.6Low68.3Low3 Ų356.4 Ų56.43%0.02529%0.293CS..THydrogen-bonded Turntrans-76.8-2.9176.700000114.6R88 R220 A221R88-A90 PolarHBondContact O-N 3.38Å; A90-R220 HydrophobicContact CB-CB 4.37Å; A90-A221 HydrophobicContact CB-CB 4.13Å
91E60.5Low67.2Low78 Ų7857.5 Ų57.536%0.36430%0.304SS..SBendtrans-120.478.1-171.7-169.2161.8-148.900108.7R88 I89 Q93 R220R88-E91 HydrophobicContact CB-CB 4.44Å; R88-E91 WeakPolarHBondContact O-CB 3.43Å; R88-E91 PolarHBondContact O-N 3Å; I89-E91 PolarHBondContact O-N 3.24Å; E91-Q93 VanDerWaalsContact C-N 3.3Å; E91-Q93 PolarHBondContact O-N 3.19Å; E91-R220 IonicContact OE1-CZ 2.84Å; E91-R220 IonicContact OE1-NH1 3.14Å; E91-R220 PolarHBondContact OE1-NH1 2.95Å; E91-R220 IonicContact OE1-NH2 3.84Å; E91-R220 IonicContact OE2-CZ 2.78Å; E91-R220 IonicContact OE2-NH1 2.82Å; E91-R220 PolarHBondContact OE2-NH1 3.42Å
92K53.6Low66.3Low145 Ų14560.5 Ų60.563%0.6333%0.325SS*.  trans-77.672.1-166.5-174.1175.7159.2-85.50112.6E399K92-E399 WeakPolarHBondContact CD-OE1 3.3Å; K92-E399 WeakPolarHBondContact CE-OE1 3.44Å; K92-E399 IonicContact NZ-OE1 2.62Å; K92-E399 PolarHBondContact NZ-OE1 2.96Å
93Q50.9Low65.6Low116 Ų11669.4 Ų69.454%0.54236%0.357SS..PPolyproline II helixtrans-71.9161.4169.5-162.5151-30.400111E91E91-Q93 VanDerWaalsContact C-N 3.3Å; E91-Q93 PolarHBondContact O-N 3.19Å
94Q48.3Very low64.8Low124 Ų12472.9 Ų72.958%0.57938%0.38SS*.PPolyproline II helixtrans-70136.1-178.3-59.6-173.914.700110.7V96Q94-V96 PolarHBondContact O-N 2.84Å
95P52.1Low64Low77 Ų7775.6 Ų75.650%0.540%0.399SS..PPolyproline II helixtrans-67.3119.6-175.326.3-34.4000111.6I97P95-I97 PolarHBondContact O-N 3.21Å
96V53.8Low63.1Low22 Ų2277.9 Ų77.913%0.13341%0.41CS..SBendtrans-51.9-39177.1-177.20000111.3Y5 R6 K78 Q94 R98Y5-V96 HydrophobicContact CD2-CG1 4.24Å; Y5-V96 HydrophobicContact CE2-CG1 4Å; R6-V96 WeakPolarHBondContact O-CG1 3.37Å; K78-V96 HydrophobicContact CD-CG2 4.4Å; Q94-V96 PolarHBondContact O-N 2.84Å; V96-R98 PolarHBondContact O-N 2.94Å
97I55Low62.6Low54 Ų5482.6 Ų82.628%0.27742%0.417SS..SBendtrans-92.593.7175.2-61.9179.3000109.7V79 P95 T99 K109V79-I97 WeakPolarHBondContact O-CD1 3.41Å; P95-I97 PolarHBondContact O-N 3.21Å; I97-T99 HydrophobicContact CG2-CG2 3.47Å; I97-T99 VanDerWaalsContact CG2-CG2 3.47Å; I97-K109 WeakPolarHBondContact O-CE 3.16Å; I97-K109 PolarHBondContact O-NZ 3.47Å
98R51.7Low62.5Low170 Ų17086 Ų8664%0.64244%0.437SS*.  trans-87111168.7-66.8-171.9179.5-165.92.5110.4V96V96-R98 PolarHBondContact O-N 2.94Å
99T50.3Low62.3Low46 Ų4684.6 Ų84.628%0.28243%0.432SS..  trans-136108.7-175.7520000109.8I97 K109I97-T99 HydrophobicContact CG2-CG2 3.47Å; I97-T99 VanDerWaalsContact CG2-CG2 3.47Å; T99-K109 WeakPolarHBondContact OG1-CD 3.43Å; T99-K109 PolarHBondContact OG1-NZ 3.49Å
100S54.1Low62.3Low120 Ų12084.1 Ų84.184%0.83943%0.432SS*.  trans-84129.1159.5-176.30000107.8
101G59.2Low63.3Low38 Ų3887.2 Ų87.239%0.39245%0.453SS..  trans-169.6178.4-169.700000115
102S68.9Low64.5Low65 Ų6588.6 Ų88.646%0.45546%0.455SS..  trans-67.5166.2-177.379.60000112.9C104 C105 M106S102-C104 PolarHBondContact O-N 3.15Å; S102-C104 VanDerWaalsContact O-N 3.11Å; S102-C104 PolarHBondContact OG-N 2.92Å; S102-C105 WeakPolarHBondContact O-CB 3.49Å; S102-C105 PolarHBondContact O-N 3.37Å; S102-C105 PolarHBondContact OG-N 3.1Å; S102-C105 PolarHBondContact OG-SG 3.12Å; S102-M106 PolarHBondContact O-N 3.33Å
103R70Confident66Low211 Ų21183.9 Ų83.980%0.79644%0.436SS*.Hα-helixtrans-55.6-26.3172.5-72-174.8-73.5172.3-3.2113.7M106 R107R103-M106 HydrophobicContact CG-CE 4.08Å; R103-R107 WeakPolarHBondContact O-CG 3.19Å; R103-R107 PolarHBondContact O-N 3.38Å
104C73.4Confident67.6Low77 Ų7780 Ų8052%0.5242%0.418SS..Hα-helixtrans-72.4-48.4172.7-1720000111S102 M106 R107 L108S102-C104 PolarHBondContact O-N 3.15Å; S102-C104 VanDerWaalsContact O-N 3.11Å; S102-C104 PolarHBondContact OG-N 2.92Å; C104-M106 VanDerWaalsContact C-N 3.29Å; C104-M106 PolarHBondContact O-N 2.97Å; C104-R107 PolarHBondContact O-N 2.66Å; C104-R107 VanDerWaalsContact O-N 3.1Å; C104-L108 PolarHBondContact O-N 3.49Å
105C73.5Confident69.5Low63 Ų6375 Ų7543%0.42640%0.399SS..Hα-helixtrans-58.1-39.9177.9-53.30000112.2S102 L108 K109S102-C105 WeakPolarHBondContact O-CB 3.49Å; S102-C105 PolarHBondContact O-N 3.37Å; S102-C105 PolarHBondContact OG-N 3.1Å; S102-C105 PolarHBondContact OG-SG 3.12Å; C105-L108 PolarHBondContact O-N 2.91Å; C105-K109 VanDerWaalsContact O-CB 3.26Å; C105-K109 WeakPolarHBondContact O-CB 3.32Å; C105-K109 PolarHBondContact O-N 3.33Å
106M68.1Low71.4Confident51 Ų5173.4 Ų73.425%0.25139%0.386SS..Hα-helixtrans-64.5-39.6176.1-70.3-172.6-78.600112.7S102 R103 C104 K109 A110S102-M106 PolarHBondContact O-N 3.33Å; R103-M106 HydrophobicContact CG-CE 4.08Å; C104-M106 VanDerWaalsContact C-N 3.29Å; C104-M106 PolarHBondContact O-N 2.97Å; M106-K109 PolarHBondContact O-N 3.31Å; M106-A110 WeakPolarHBondContact O-CB 3.28Å; M106-A110 PolarHBondContact O-N 2.87Å
107R73.7Confident73.3Confident133 Ų13372.3 Ų72.350%0.50238%0.38SS..Hα-helixtrans-67.5-44.2175.1-74.8178.4173.6-167.2-4.9112.6R103 C104 K109 A110 C111 G540R103-R107 WeakPolarHBondContact O-CG 3.19Å; R103-R107 PolarHBondContact O-N 3.38Å; C104-R107 PolarHBondContact O-N 2.66Å; C104-R107 VanDerWaalsContact O-N 3.1Å; R107-K109 VanDerWaalsContact C-N 3.31Å; R107-K109 PolarHBondContact O-N 2.69Å; R107-A110 PolarHBondContact O-N 3.28Å; R107-C111 WeakPolarHBondContact O-CB 3.08Å; R107-C111 PolarHBondContact O-N 2.79Å; R107-G540 PolarHBondContact NH2-O 3.35Å
108L79.5Confident75.2Confident115 Ų11570.6 Ų70.660%0.60237%0.371SS*.Hα-helixtrans-61.9-41.3175.5-69.7172000111C104 C105 C111 W112C104-L108 PolarHBondContact O-N 3.49Å; C105-L108 PolarHBondContact O-N 2.91Å; L108-C111 PolarHBondContact O-N 3.01Å; L108-W112 WeakPolarHBondContact O-CB 3.28Å; L108-W112 PolarHBondContact O-N 3.4Å
109K77.2Confident77.2Confident43 Ų4362.5 Ų62.519%0.18734%0.341CS..Hα-helixtrans-61-46.8173-179.8178.4-168.4166.50112.7I97 T99 C105 M106 R107 C111 W112 I113I97-K109 WeakPolarHBondContact O-CE 3.16Å; I97-K109 PolarHBondContact O-NZ 3.47Å; T99-K109 WeakPolarHBondContact OG1-CD 3.43Å; T99-K109 PolarHBondContact OG1-NZ 3.49Å; C105-K109 VanDerWaalsContact O-CB 3.26Å; C105-K109 WeakPolarHBondContact O-CB 3.32Å; C105-K109 PolarHBondContact O-N 3.33Å; M106-K109 PolarHBondContact O-N 3.31Å; R107-K109 VanDerWaalsContact C-N 3.31Å; R107-K109 PolarHBondContact O-N 2.69Å; K109-C111 VanDerWaalsContact C-N 3.3Å; K109-C111 PolarHBondContact O-N 3.23Å; K109-W112 PolarHBondContact O-N 3.35Å; K109-W112 VanDerWaalsContact O-N 3.17Å; K109-I113 HydrophobicContact CD-CD1 4.28Å; K109-I113 HydrophobicContact CG-CD1 3.65Å; K109-I113 HydrophobicContact CG-CG1 4.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.34Å; K109-I113 PolarHBondContact O-N 3.06Å
110A72.3Confident79.3Confident15 Ų1561 Ų6112%0.12433%0.331CS..Hα-helixtrans-61.4-40.6176.900000111.5M106 R107 W112 H114 T538M106-A110 WeakPolarHBondContact O-CB 3.28Å; M106-A110 PolarHBondContact O-N 2.87Å; R107-A110 PolarHBondContact O-N 3.28Å; A110-W112 VanDerWaalsContact C-N 3.34Å; A110-W112 PolarHBondContact O-N 3.32Å; A110-H114 WeakPolarHBondContact O-CB 3.09Å; A110-H114 PolarHBondContact O-CD2 3.09Å; A110-H114 PolarHBondContact O-N 3.43Å; A110-H114 VanDerWaalsContact O-N 3.08Å; A110-T538 HydrophobicContact CB-CG2 4.4Å
111C82.4Confident81.3Confident69 Ų6956 Ų5647%0.46630%0.295SS..Hα-helixtrans-65.7-33.3174.6-169.40000112.8R107 L108 K109 G115R107-C111 WeakPolarHBondContact O-CB 3.08Å; R107-C111 PolarHBondContact O-N 2.79Å; L108-C111 PolarHBondContact O-N 3.01Å; K109-C111 VanDerWaalsContact C-N 3.3Å; K109-C111 PolarHBondContact O-N 3.23Å; C111-G115 WeakPolarHBondContact O-CA 3.48Å; C111-G115 PolarHBondContact O-N 2.96Å
112W86.2Confident83.1Confident107 Ų10754.7 Ų54.741%0.40528%0.28SS..Hα-helixtrans-72.3-47.3174.9-172.9-93.4000112.8F70 V79 N81 L108 K109 A110 H114F70-W112 HydrophobicContact CZ-CH2 4.2Å; V79-W112 HydrophobicContact CB-CZ2 4.25Å; V79-W112 HydrophobicContact CG2-CZ2 4.33Å; V79-W112 PolarHBondContact O-NE1 3.32Å; N81-W112 PolarHBondContact ND2-O 2.96Å; L108-W112 WeakPolarHBondContact O-CB 3.28Å; L108-W112 PolarHBondContact O-N 3.4Å; K109-W112 PolarHBondContact O-N 3.35Å; K109-W112 VanDerWaalsContact O-N 3.17Å; A110-W112 VanDerWaalsContact C-N 3.34Å; A110-W112 PolarHBondContact O-N 3.32Å; W112-H114 PolarHBondContact O-N 2.87Å
113I84.6Confident84.4Confident45 Ų4551.6 Ų51.623%0.23126%0.258CS..Hα-helixtrans-65.6-39-178.4-65.7168.8000111.6G80 L82 K109G80-I113 WeakPolarHBondContact O-CG1 3.29Å; L82-I113 HydrophobicContact CB-CG2 4.41Å; L82-I113 WeakPolarHBondContact CB-O 3.42Å; L82-I113 PolarHBondContact N-O 3.31Å; K109-I113 HydrophobicContact CD-CD1 4.28Å; K109-I113 HydrophobicContact CG-CD1 3.65Å; K109-I113 HydrophobicContact CG-CG1 4.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.34Å; K109-I113 PolarHBondContact O-N 3.06Å
114H85.8Confident85.7Confident35 Ų3541.9 Ų41.916%0.16222%0.222CC..THydrogen-bonded Turntrans-105.98.5-175.5-60.7-52.5000114A110 W112 Y294 Y298A110-H114 WeakPolarHBondContact O-CB 3.09Å; A110-H114 PolarHBondContact O-CD2 3.09Å; A110-H114 PolarHBondContact O-N 3.43Å; A110-H114 VanDerWaalsContact O-N 3.08Å; W112-H114 PolarHBondContact O-N 2.87Å; H114-Y294 HydrophobicContact CB-CD1 4.48Å; H114-Y294 HydrophobicContact CB-CE1 3.67Å; H114-Y294 AromaticContact ND1-CE1 3.93Å; H114-Y294 AromaticContact ND1-CZ 3.93Å; H114-Y294 PolarHBondContact ND1-OH 2.73Å; H114-Y298 AromaticContact CD2-CZ 3.92Å; H114-Y298 AromaticContact CE1-CD2 3.82Å; H114-Y298 AromaticContact CE1-CE2 3.26Å; H114-Y298 WeakPolarHBondContact CE1-CE2 3.27Å; H114-Y298 AromaticContact CE1-CZ 3.58Å; H114-Y298 AromaticContact ND1-CD2 3.95Å; H114-Y298 AromaticContact ND1-CE2 3.85Å; H114-Y298 AromaticContact NE2-CE1 3.97Å; H114-Y298 AromaticContact NE2-CE2 3.55Å; H114-Y298 AromaticContact NE2-CZ 3.32Å; H114-Y298 VanDerWaalsContact NE2-CZ 3.32Å; H114-Y298 PolarHBondContact NE2-OH 3.24Å
115G87.8Confident86.8Confident18 Ų1841.8 Ų41.819%0.18622%0.215CC..SBendtrans-71.7-175.9177.900000113N81 C111 Y214N81-G115 PolarHBondContact ND2-O 3.26Å; C111-G115 WeakPolarHBondContact O-CA 3.48Å; C111-G115 PolarHBondContact O-N 2.96Å; G115-Y214 VanDerWaalsContact O-CE2 3.3Å; G115-Y214 WeakPolarHBondContact O-CE2 3.25Å
116L93.2Very high87.9Confident44 Ų4438.8 Ų38.823%0.2320%0.195CC..SBendtrans-57.1147.3171.9-57.3164.5000110.3N81 V118 T121 F210 Y214 S290 A291N81-L116 PolarHBondContact ND2-O 2.96Å; N81-L116 VanDerWaalsContact ND2-O 3.15Å; L116-V118 PolarHBondContact O-N 2.86Å; L116-V118 VanDerWaalsContact O-N 3.12Å; L116-T121 HydrophobicContact CB-CG2 4.29Å; L116-T121 WeakPolarHBondContact CB-OG1 3.3Å; L116-T121 HydrophobicContact CD1-CG2 4.09Å; L116-F210 HydrophobicContact CB-CE2 4.41Å; L116-F210 HydrophobicContact CD2-CE2 4.1Å; L116-F210 HydrophobicContact CD2-CZ 3.82Å; L116-Y214 HydrophobicContact CD2-CE1 3.86Å; L116-S290 WeakPolarHBondContact CD2-OG 3.34Å; L116-A291 HydrophobicContact CD2-CB 4.32Å
117P93.3Very high89.3Confident0 Ų036.4 Ų36.40%018%0.183CC..  trans-62.2113.5177.325.6-35000110.5A83 Q120 T121 F210 A213 Y214A83-P117 HydrophobicContact CB-CB 3.75Å; A83-P117 HydrophobicContact CB-CG 4.49Å; P117-Q120 HydrophobicContact CB-CB 4.35Å; P117-Q120 HydrophobicContact CG-CB 4.23Å; P117-Q120 PolarHBondContact O-N 3.05Å; P117-T121 VanDerWaalsContact O-CB 3.28Å; P117-T121 WeakPolarHBondContact O-CB 3.35Å; P117-T121 PolarHBondContact O-N 3.43Å; P117-T121 PolarHBondContact O-OG1 3.44Å; P117-F210 HydrophobicContact CG-CD2 3.67Å; P117-F210 HydrophobicContact CG-CE2 3.75Å; P117-F210 HydrophobicContact CG-CG 4.48Å; P117-A213 HydrophobicContact CB-CB 4.24Å; P117-A213 HydrophobicContact CG-CB 4.45Å; P117-Y214 HydrophobicContact CG-CG 4.29Å
118V93.7Very high90.3Very high17 Ų1730.9 Ų30.910%0.10317%0.165CC..Hα-helixtrans-58-59.9-162.61800000112.7F70 V79 N81 N84 L116 Q120 T121 V122F70-V118 HydrophobicContact CE1-CG1 3.79Å; F70-V118 HydrophobicContact CZ-CG1 3.77Å; V79-V118 HydrophobicContact CG2-CB 4.27Å; V79-V118 HydrophobicContact CG2-CG2 4Å; N81-V118 HydrophobicContact CB-CG2 3.82Å; N84-V118 HydrophobicContact CB-CB 4.34Å; L116-V118 PolarHBondContact O-N 2.86Å; L116-V118 VanDerWaalsContact O-N 3.12Å; V118-Q120 PolarHBondContact O-N 3.02Å; V118-T121 PolarHBondContact O-N 2.61Å; V118-T121 VanDerWaalsContact O-N 3.15Å; V118-V122 HydrophobicContact CG1-CG2 4.29Å; V118-V122 VanDerWaalsContact O-CG2 3.27Å; V118-V122 WeakPolarHBondContact O-CG2 3.49Å; V118-V122 PolarHBondContact O-N 2.77Å
119S94.2Very high91.1Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-62.3-42-175.957.10000112.5F71 N84 T121 V122 H123F71-S119 VanDerWaalsContact CD2-O 3.32Å; F71-S119 WeakPolarHBondContact CD2-O 3.29Å; F71-S119 WeakPolarHBondContact CE2-O 3.33Å; N84-S119 VanDerWaalsContact OD1-CB 3.25Å; N84-S119 WeakPolarHBondContact OD1-CB 3.47Å; N84-S119 PolarHBondContact OD1-N 3.3Å; N84-S119 PolarHBondContact OD1-OG 2.94Å; S119-T121 VanDerWaalsContact C-N 3.33Å; S119-T121 PolarHBondContact O-N 3.43Å; S119-V122 PolarHBondContact O-N 2.86Å; S119-H123 WeakPolarHBondContact O-CB 3.48Å; S119-H123 PolarHBondContact O-N 2.73Å
120Q95.3Very high91.9Very high16 Ų1623.9 Ų23.98%0.07513%0.13CC..Hα-helixtrans-65-36175.8-66.471.325.100112Y17 P117 V118 L124 A209 F210 A213Y17-Q120 HydrophobicContact CE1-CG 4.29Å; P117-Q120 HydrophobicContact CB-CB 4.35Å; P117-Q120 HydrophobicContact CG-CB 4.23Å; P117-Q120 PolarHBondContact O-N 3.05Å; V118-Q120 PolarHBondContact O-N 3.02Å; Q120-L124 WeakPolarHBondContact O-CB 3.41Å; Q120-L124 PolarHBondContact O-N 3.4Å; Q120-A209 HydrophobicContact CG-CB 4.05Å; Q120-F210 HydrophobicContact CB-CB 4.35Å; Q120-F210 HydrophobicContact CB-CD2 4.45Å; Q120-A213 HydrophobicContact CG-CB 4.03Å
121T96Very high92.8Very high15 Ų1523.2 Ų23.29%0.09212%0.124CC..Hα-helixtrans-72.2-41.7177.4-53.20000111.5L116 P117 V118 S119 L124 I125L116-T121 HydrophobicContact CB-CG2 4.29Å; L116-T121 WeakPolarHBondContact CB-OG1 3.3Å; L116-T121 HydrophobicContact CD1-CG2 4.09Å; P117-T121 VanDerWaalsContact O-CB 3.28Å; P117-T121 WeakPolarHBondContact O-CB 3.35Å; P117-T121 PolarHBondContact O-N 3.43Å; P117-T121 PolarHBondContact O-OG1 3.44Å; V118-T121 PolarHBondContact O-N 2.61Å; V118-T121 VanDerWaalsContact O-N 3.15Å; S119-T121 VanDerWaalsContact C-N 3.33Å; S119-T121 PolarHBondContact O-N 3.43Å; T121-L124 PolarHBondContact O-N 3.36Å; T121-I125 HydrophobicContact CG2-CD1 4.27Å; T121-I125 WeakPolarHBondContact O-CG1 3.37Å; T121-I125 PolarHBondContact O-N 3.3Å
122V96.3Very high93.3Very high10 Ų1020 Ų206%0.06110%0.102CC..Hα-helixtrans-64.6-43.6175.4177.50000110.4L67 F70 F71 V118 S119 L124 I125 I126L67-V122 HydrophobicContact CB-CG1 4.06Å; L67-V122 HydrophobicContact CD2-CG1 4.43Å; F70-V122 HydrophobicContact CD1-CG1 4.24Å; F70-V122 HydrophobicContact CD1-CG2 3.55Å; F70-V122 HydrophobicContact CE1-CG2 3.53Å; F71-V122 HydrophobicContact CB-CG1 3.87Å; V118-V122 HydrophobicContact CG1-CG2 4.29Å; V118-V122 VanDerWaalsContact O-CG2 3.27Å; V118-V122 WeakPolarHBondContact O-CG2 3.49Å; V118-V122 PolarHBondContact O-N 2.77Å; S119-V122 PolarHBondContact O-N 2.86Å; V122-L124 VanDerWaalsContact C-N 3.35Å; V122-L124 PolarHBondContact O-N 3.03Å; V122-I125 PolarHBondContact O-N 2.9Å; V122-I126 HydrophobicContact CG1-CD1 3.96Å; V122-I126 WeakPolarHBondContact O-CG1 3.36Å; V122-I126 PolarHBondContact O-N 3.44Å
123H97Very high93.5Very high0 Ų015 Ų150%08%0.084CC..Hα-helixtrans-58.3-46.2172.1-179.4-168.2000111.2Y17 F21 Q25 F71 S119 I125 I126 A127 N202Y17-H123 AromaticContact CZ-ND1 3.64Å; Y17-H123 PolarHBondContact OH-ND1 2.94Å; F21-H123 AromaticContact CD1-CE1 3.24Å; F21-H123 WeakPolarHBondContact CD1-CE1 3.31Å; F21-H123 AromaticContact CD1-NE2 3.65Å; F21-H123 AromaticContact CD2-CE1 3.8Å; F21-H123 AromaticContact CE1-CE1 3.68Å; F21-H123 AromaticContact CG-CE1 3.34Å; F21-H123 WeakPolarHBondContact CG-CE1 3.08Å; F21-H123 AromaticContact CG-ND1 3.94Å; F21-H123 AromaticContact CG-NE2 3.98Å; Q25-H123 PolarHBondContact NE2-CD2 3.42Å; Q25-H123 PolarHBondContact NE2-NE2 3.28Å; F71-H123 HydrophobicContact CD2-CB 4.07Å; F71-H123 HydrophobicContact CE2-CB 3.71Å; F71-H123 HydrophobicContact CZ-CB 4.2Å; S119-H123 WeakPolarHBondContact O-CB 3.48Å; S119-H123 PolarHBondContact O-N 2.73Å; H123-I125 VanDerWaalsContact C-N 3.31Å; H123-I125 PolarHBondContact O-N 2.93Å; H123-I126 PolarHBondContact O-N 3.29Å; H123-A127 VanDerWaalsContact O-CB 3.3Å; H123-A127 WeakPolarHBondContact O-CB 3.46Å; H123-A127 PolarHBondContact O-N 3.42Å; H123-N202 PolarHBondContact NE2-ND2 3.42Å; H123-N202 PolarHBondContact NE2-OD1 3.49Å
124L96.5Very high93.6Very high6 Ų613.5 Ų13.53%0.0318%0.077CC..Hα-helixtrans-61.5-37.6178.1-175.662.6000112.5Q120 T121 V122 T128 Y203 A206 L207 L287Q120-L124 WeakPolarHBondContact O-CB 3.41Å; Q120-L124 PolarHBondContact O-N 3.4Å; T121-L124 PolarHBondContact O-N 3.36Å; V122-L124 VanDerWaalsContact C-N 3.35Å; V122-L124 PolarHBondContact O-N 3.03Å; L124-T128 WeakPolarHBondContact O-CB 3.46Å; L124-T128 PolarHBondContact O-N 2.94Å; L124-T128 PolarHBondContact O-OG1 3.01Å; L124-Y203 HydrophobicContact CD1-CD2 3.82Å; L124-Y203 HydrophobicContact CD1-CE2 3.63Å; L124-A206 HydrophobicContact CB-CB 4.13Å; L124-A206 HydrophobicContact CD1-CB 3.96Å; L124-L207 HydrophobicContact CD1-CD2 3.64Å; L124-L207 HydrophobicContact CD1-CG 3.74Å; L124-L207 HydrophobicContact CD2-CD2 3.99Å; L124-L207 HydrophobicContact CG-CD2 4.49Å; L124-L287 HydrophobicContact CD2-CD1 4.21Å; L124-L287 HydrophobicContact CD2-CD2 3.79Å; L124-L287 HydrophobicContact CD2-CG 4.44Å
125I96.6Very high93.6Very high76 Ų7612 Ų1239%0.397%0.071SC..Hα-helixtrans-65.2-47.5173.9-66.8162.9000110.8L67 T121 V122 H123 A127 T128 A129L67-I125 HydrophobicContact CD1-CB 4.33Å; L67-I125 HydrophobicContact CD1-CG2 3.57Å; T121-I125 HydrophobicContact CG2-CD1 4.27Å; T121-I125 WeakPolarHBondContact O-CG1 3.37Å; T121-I125 PolarHBondContact O-N 3.3Å; V122-I125 PolarHBondContact O-N 2.9Å; H123-I125 VanDerWaalsContact C-N 3.31Å; H123-I125 PolarHBondContact O-N 2.93Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.4Å; I125-T128 PolarHBondContact O-N 2.95Å; I125-A129 WeakPolarHBondContact O-CB 3.42Å; I125-A129 PolarHBondContact O-N 3.33Å
126I96.9Very high93.5Very high0 Ų011.3 Ų11.30%06%0.063CC..Hα-helixtrans-58.9-45.2175.9-70.4167.7000110.9Q25 I64 L67 F71 V122 H123 A129 F130Q25-I126 HydrophobicContact CG-CG2 4.04Å; I64-I126 HydrophobicContact CG1-CG2 4.36Å; I64-I126 HydrophobicContact CG2-CG2 4.2Å; L67-I126 HydrophobicContact CB-CD1 3.84Å; L67-I126 HydrophobicContact CB-CG1 3.81Å; L67-I126 HydrophobicContact CD1-CG1 4.24Å; F71-I126 HydrophobicContact CB-CD1 4.18Å; V122-I126 HydrophobicContact CG1-CD1 3.96Å; V122-I126 WeakPolarHBondContact O-CG1 3.36Å; V122-I126 PolarHBondContact O-N 3.44Å; H123-I126 PolarHBondContact O-N 3.29Å; I126-A129 PolarHBondContact O-N 3.45Å; I126-F130 HydrophobicContact CG2-CD2 3.71Å; I126-F130 HydrophobicContact CG2-CE2 3.55Å; I126-F130 VanDerWaalsContact O-CD2 3.3Å; I126-F130 WeakPolarHBondContact O-CD2 3.38Å; I126-F130 PolarHBondContact O-N 3.3Å
127A96.4Very high92.8Very high0 Ų09.5 Ų9.50%05%0.053CC..Hα-helixtrans-65.7-41.4179.300000112.1H123 I125 A129 F130 L131 N202 Y203 A206H123-A127 VanDerWaalsContact O-CB 3.3Å; H123-A127 WeakPolarHBondContact O-CB 3.46Å; H123-A127 PolarHBondContact O-N 3.42Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.4Å; A127-A129 VanDerWaalsContact C-N 3.33Å; A127-F130 PolarHBondContact O-N 3Å; A127-L131 VanDerWaalsContact O-CB 3.24Å; A127-L131 WeakPolarHBondContact O-CB 3.45Å; A127-L131 PolarHBondContact O-N 2.91Å; A127-N202 WeakPolarHBondContact CB-ND2 3.37Å; A127-Y203 HydrophobicContact CB-CD2 4.25Å; A127-A206 HydrophobicContact CB-CB 4.3Å
128T95.6Very high92.1Very high18 Ų1810.9 Ų10.911%0.116%0.06CC..Hα-helixtrans-62.1-42.4173.9-52.40000110.6L124 I125 L131 V132 Y203 Y279 L280L124-T128 WeakPolarHBondContact O-CB 3.46Å; L124-T128 PolarHBondContact O-N 2.94Å; L124-T128 PolarHBondContact O-OG1 3.01Å; I125-T128 PolarHBondContact O-N 2.95Å; T128-L131 PolarHBondContact O-N 3.38Å; T128-V132 HydrophobicContact CG2-CG2 4.37Å; T128-V132 WeakPolarHBondContact O-CB 3.24Å; T128-V132 WeakPolarHBondContact O-CG2 3.32Å; T128-V132 PolarHBondContact O-N 3.38Å; T128-Y203 WeakPolarHBondContact OG1-CE2 3.4Å; T128-Y279 HydrophobicContact CG2-CE1 4.07Å; T128-L280 HydrophobicContact CG2-CD2 4.45Å
129A95.2Very high91.2Very high4 Ų410.1 Ų10.13%0.0336%0.055CC..Hα-helixtrans-63.1-45.2176.800000112.1F60 I64 I125 I126 A127 L131 C133F60-A129 HydrophobicContact CB-CB 4.41Å; F60-A129 HydrophobicContact CD1-CB 3.93Å; I64-A129 HydrophobicContact CD1-CB 3.82Å; I64-A129 HydrophobicContact CG1-CB 3.76Å; I125-A129 WeakPolarHBondContact O-CB 3.42Å; I125-A129 PolarHBondContact O-N 3.33Å; I126-A129 PolarHBondContact O-N 3.45Å; A127-A129 VanDerWaalsContact C-N 3.33Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 2.87Å; A129-C133 VanDerWaalsContact O-CB 3.32Å; A129-C133 WeakPolarHBondContact O-CB 3.46Å; A129-C133 PolarHBondContact O-N 3.43Å; A129-C133 PolarHBondContact O-SG 3.42Å
130F94.1Very high90.2Very high6 Ų611.2 Ų11.23%0.0266%0.06CC..Hα-helixtrans-60.2-41.2173.3-83.4-60000112.8Q25 L28 L29 I64 I126 A127 C133 S134 P199Q25-F130 HydrophobicContact CB-CE2 4.05Å; Q25-F130 HydrophobicContact CG-CE2 4.16Å; Q25-F130 WeakPolarHBondContact O-CZ 3.47Å; L28-F130 HydrophobicContact CB-CD1 4.01Å; L28-F130 HydrophobicContact CB-CD2 4.45Å; L28-F130 HydrophobicContact CB-CE1 3.66Å; L28-F130 HydrophobicContact CB-CE2 4.13Å; L28-F130 HydrophobicContact CB-CG 4.4Å; L28-F130 HydrophobicContact CB-CZ 3.71Å; L28-F130 HydrophobicContact CD1-CD2 4.29Å; L28-F130 HydrophobicContact CD1-CG 4.44Å; L29-F130 HydrophobicContact CB-CE1 4.35Å; L29-F130 HydrophobicContact CB-CZ 4.04Å; I64-F130 HydrophobicContact CD1-CD1 3.75Å; I64-F130 HydrophobicContact CD1-CD2 4.1Å; I64-F130 HydrophobicContact CD1-CE1 3.87Å; I64-F130 HydrophobicContact CD1-CE2 4.22Å; I64-F130 HydrophobicContact CD1-CG 3.87Å; I64-F130 HydrophobicContact CD1-CZ 4.12Å; I64-F130 HydrophobicContact CG2-CE1 4.32Å; I64-F130 HydrophobicContact CG2-CE2 3.84Å; I64-F130 HydrophobicContact CG2-CZ 3.64Å; I126-F130 HydrophobicContact CG2-CD2 3.71Å; I126-F130 HydrophobicContact CG2-CE2 3.55Å; I126-F130 VanDerWaalsContact O-CD2 3.3Å; I126-F130 WeakPolarHBondContact O-CD2 3.38Å; I126-F130 PolarHBondContact O-N 3.3Å; A127-F130 PolarHBondContact O-N 3Å; F130-C133 WeakPolarHBondContact O-CB 3.36Å; F130-C133 PolarHBondContact O-N 2.93Å; F130-S134 WeakPolarHBondContact O-CB 3.38Å; F130-S134 PolarHBondContact O-N 3.49Å; F130-S134 PolarHBondContact O-OG 3.41Å; F130-P199 HydrophobicContact CB-CB 4.41Å
131L92.4Very high89Confident2 Ų212.3 Ų12.31%0.017%0.066CC..Hα-helixtrans-70.7-40.7-177.4-170.461.8000111.6A127 T128 A129 S134 S135 P199 F200 Y203 F244A127-L131 VanDerWaalsContact O-CB 3.24Å; A127-L131 WeakPolarHBondContact O-CB 3.45Å; A127-L131 PolarHBondContact O-N 2.91Å; T128-L131 PolarHBondContact O-N 3.38Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 2.87Å; L131-S134 PolarHBondContact O-N 2.98Å; L131-S135 PolarHBondContact O-N 3.07Å; L131-P199 HydrophobicContact CD1-CB 4.18Å; L131-F200 HydrophobicContact CD1-CB 3.96Å; L131-F200 HydrophobicContact CD1-CD2 4.19Å; L131-F200 HydrophobicContact CD2-CD2 4.33Å; L131-Y203 HydrophobicContact CD2-CD1 3.6Å; L131-Y203 HydrophobicContact CD2-CD2 4.14Å; L131-Y203 HydrophobicContact CD2-CE1 4.12Å; L131-Y203 HydrophobicContact CD2-CG 3.6Å; L131-F244 HydrophobicContact CD1-CD1 4.24Å; L131-F244 HydrophobicContact CD1-CE1 3.67Å; L131-F244 HydrophobicContact CD1-CE2 4.3Å; L131-F244 HydrophobicContact CD1-CZ 3.71Å; L131-F244 HydrophobicContact CD2-CB 4.33Å; L131-F244 HydrophobicContact CD2-CD1 3.69Å; L131-F244 HydrophobicContact CD2-CD2 3.79Å; L131-F244 HydrophobicContact CD2-CE1 3.95Å; L131-F244 HydrophobicContact CD2-CE2 4.06Å; L131-F244 HydrophobicContact CD2-CG 3.6Å; L131-F244 HydrophobicContact CD2-CZ 4.13Å; L131-F244 HydrophobicContact CG-CD1 4.02Å; L131-F244 HydrophobicContact CG-CD2 3.86Å; L131-F244 HydrophobicContact CG-CE1 3.75Å; L131-F244 HydrophobicContact CG-CE2 3.6Å; L131-F244 HydrophobicContact CG-CG 4.08Å; L131-F244 HydrophobicContact CG-CZ 3.53Å
132V92.5Very high87.7Confident0 Ų013.2 Ų13.20%07%0.072CC..Hα-helixtrans-64.5-42.8170.3170.10000111.4F60 T128 S134 S135 L136 L276 Y279F60-V132 HydrophobicContact CD2-CG1 4.17Å; F60-V132 HydrophobicContact CE2-CG1 3.56Å; F60-V132 HydrophobicContact CZ-CG1 3.81Å; T128-V132 HydrophobicContact CG2-CG2 4.37Å; T128-V132 WeakPolarHBondContact O-CB 3.24Å; T128-V132 WeakPolarHBondContact O-CG2 3.32Å; T128-V132 PolarHBondContact O-N 3.38Å; V132-S134 VanDerWaalsContact C-N 3.26Å; V132-S134 PolarHBondContact O-N 3.04Å; V132-S135 PolarHBondContact O-N 3.04Å; V132-L136 HydrophobicContact CG1-CD1 3.98Å; V132-L136 WeakPolarHBondContact O-CB 3.19Å; V132-L136 WeakPolarHBondContact O-CG 3.35Å; V132-L136 PolarHBondContact O-N 2.93Å; V132-L276 HydrophobicContact CG1-CD1 3.72Å; V132-L276 HydrophobicContact CG2-CD1 4.37Å; V132-Y279 HydrophobicContact CG2-CD1 4.26Å; V132-Y279 HydrophobicContact CG2-CE1 3.73Å
133C90.5Very high86.3Confident2 Ų216.6 Ų16.61%0.0148%0.084CC..Hα-helixtrans-58.6-36.4173-79.90000113.2Y57 F60 H61 A129 F130 L136 I137Y57-C133 HydrophobicContact CD2-CB 3.93Å; Y57-C133 HydrophobicContact CE2-CB 3.73Å; Y57-C133 WeakPolarHBondContact CE2-O 3.04Å; F60-C133 WeakPolarHBondContact CB-SG 3.35Å; H61-C133 PolarHBondContact CE1-SG 3Å; A129-C133 VanDerWaalsContact O-CB 3.32Å; A129-C133 WeakPolarHBondContact O-CB 3.46Å; A129-C133 PolarHBondContact O-N 3.43Å; A129-C133 PolarHBondContact O-SG 3.42Å; F130-C133 WeakPolarHBondContact O-CB 3.36Å; F130-C133 PolarHBondContact O-N 2.93Å; C133-L136 WeakPolarHBondContact O-CB 3.38Å; C133-I137 PolarHBondContact O-N 2.88Å
134S86Confident84.7Confident14 Ų1420.4 Ų20.410%0.09810%0.102CC..Hα-helixtrans-71.7-45.2177.4-55.40000110.5F130 L131 V132 L136 I137 E138 P199F130-S134 WeakPolarHBondContact O-CB 3.38Å; F130-S134 PolarHBondContact O-N 3.49Å; F130-S134 PolarHBondContact O-OG 3.41Å; L131-S134 PolarHBondContact O-N 2.98Å; V132-S134 VanDerWaalsContact C-N 3.26Å; V132-S134 PolarHBondContact O-N 3.04Å; S134-L136 VanDerWaalsContact C-N 3.29Å; S134-L136 PolarHBondContact O-N 3.34Å; S134-I137 PolarHBondContact O-N 3.39Å; S134-E138 WeakPolarHBondContact O-CB 3.39Å; S134-E138 WeakPolarHBondContact O-CG 3.34Å; S134-E138 PolarHBondContact O-N 3.31Å; S134-P199 WeakPolarHBondContact OG-CG 3.3Å
135S86.3Confident83Confident4 Ų425.1 Ų25.13%0.02812%0.123CC..Hα-helixtrans-62.6-32.9173.5-172.70000113.2L131 V132 T139 R251L131-S135 PolarHBondContact O-N 3.07Å; V132-S135 PolarHBondContact O-N 3.04Å; S135-T139 VanDerWaalsContact O-CG2 3.24Å; S135-T139 WeakPolarHBondContact O-CG2 3.38Å; S135-T139 PolarHBondContact O-N 3.4Å; S135-T139 PolarHBondContact O-OG1 3.07Å; S135-R251 PolarHBondContact O-NE 3.43Å
136L85.5Confident81Confident4 Ų429 Ų292%0.02115%0.145CC..Hα-helixtrans-59.5-61.7172.2-87.5155.8000110.1L56 F60 V132 C133 S134 E138 T139 E140L56-L136 HydrophobicContact CB-CD1 4.48Å; F60-L136 HydrophobicContact CD2-CD1 4.08Å; F60-L136 HydrophobicContact CE2-CD1 4.16Å; V132-L136 HydrophobicContact CG1-CD1 3.98Å; V132-L136 WeakPolarHBondContact O-CB 3.19Å; V132-L136 WeakPolarHBondContact O-CG 3.35Å; V132-L136 PolarHBondContact O-N 2.93Å; C133-L136 WeakPolarHBondContact O-CB 3.38Å; S134-L136 VanDerWaalsContact C-N 3.29Å; S134-L136 PolarHBondContact O-N 3.34Å; L136-E138 PolarHBondContact O-N 2.9Å; L136-T139 PolarHBondContact O-N 3.42Å; L136-T139 PolarHBondContact O-OG1 3.35Å; L136-E140 WeakPolarHBondContact O-CG 3.47Å; L136-E140 PolarHBondContact O-N 3.31Å
137I79.5Confident78.7Confident6 Ų633.1 Ų33.13%0.03117%0.174CC..Hα-helixtrans-58.8-49.2-179.2-73.4-178.1000111.5R35 L39 Y57 C133 S134 T139 E140 L141R35-I137 HydrophobicContact CB-CD1 4.24Å; L39-I137 HydrophobicContact CD1-CD1 3.82Å; L39-I137 HydrophobicContact CD1-CG1 4.22Å; Y57-I137 HydrophobicContact CD2-CD1 4.11Å; Y57-I137 HydrophobicContact CD2-CG1 3.99Å; Y57-I137 HydrophobicContact CE1-CD1 4.48Å; Y57-I137 HydrophobicContact CE2-CD1 3.28Å; Y57-I137 HydrophobicContact CE2-CG1 3.6Å; Y57-I137 VanDerWaalsContact CZ-CD1 3.5Å; Y57-I137 WeakPolarHBondContact OH-CD1 3.12Å; C133-I137 PolarHBondContact O-N 2.88Å; S134-I137 PolarHBondContact O-N 3.39Å; I137-T139 PolarHBondContact O-N 2.92Å; I137-E140 PolarHBondContact O-N 3.24Å; I137-L141 HydrophobicContact CG2-CD1 3.68Å; I137-L141 HydrophobicContact CG2-CG 4Å; I137-L141 WeakPolarHBondContact O-CG 3.38Å; I137-L141 PolarHBondContact O-N 2.86Å
138E76.9Confident76.8Confident29 Ų2934.9 Ų34.914%0.13618%0.184CC..Hα-helixtrans-58.1-34.4-177.5-74.1-173.8-176.900112.4S134 L136 V142 S190 R192 R252S134-E138 WeakPolarHBondContact O-CB 3.39Å; S134-E138 WeakPolarHBondContact O-CG 3.34Å; S134-E138 PolarHBondContact O-N 3.31Å; L136-E138 PolarHBondContact O-N 2.9Å; E138-V142 VanDerWaalsContact O-CG2 3.25Å; E138-V142 WeakPolarHBondContact O-CG2 3.24Å; E138-V142 PolarHBondContact O-N 3.11Å; E138-S190 WeakPolarHBondContact OE1-CB 3.26Å; E138-S190 PolarHBondContact OE1-OG 2.84Å; E138-R192 IonicContact OE1-NH2 2.66Å; E138-R192 IonicContact OE2-NH2 3.53Å; E138-R252 IonicContact OE2-CZ 3.95Å; E138-R252 IonicContact OE2-NH2 3.72Å; E138-R252 PolarHBondContact OE2-NH2 3.41Å
139T74.8Confident74.8Confident1 Ų140.5 Ų40.51%0.00621%0.209CC..Hα-helixtrans-75.5-30.3176.254.90000114.6S135 L136 I137 R143 R251 R252 I255S135-T139 VanDerWaalsContact O-CG2 3.24Å; S135-T139 WeakPolarHBondContact O-CG2 3.38Å; S135-T139 PolarHBondContact O-N 3.4Å; S135-T139 PolarHBondContact O-OG1 3.07Å; L136-T139 PolarHBondContact O-N 3.42Å; L136-T139 PolarHBondContact O-OG1 3.35Å; I137-T139 PolarHBondContact O-N 2.92Å; T139-R143 PolarHBondContact O-N 3.34Å; T139-R251 HydrophobicContact CG2-CB 4.37Å; T139-R251 HydrophobicContact CG2-CG 3.85Å; T139-R251 PolarHBondContact OG1-NE 3.45Å; T139-R251 PolarHBondContact OG1-NH2 3.12Å; T139-R252 HydrophobicContact CG2-CB 4.32Å; T139-R252 HydrophobicContact CG2-CG 3.51Å; T139-I255 HydrophobicContact CG2-CD1 4.36Å; T139-I255 WeakPolarHBondContact O-CG2 3.11Å
140E73.6Confident72.9Confident22 Ų2244.4 Ų44.410%0.10323%0.228CC..Hα-helixtrans-77.4-38.4178.6-61.8-76.6-164.200110.5W44 S53 L136 I137 V142 R143 E144W44-E140 HydrophobicContact CH2-CB 4.21Å; W44-E140 HydrophobicContact CH2-CG 4.24Å; W44-E140 HydrophobicContact CZ3-CB 3.74Å; W44-E140 HydrophobicContact CZ3-CG 3.83Å; S53-E140 WeakPolarHBondContact CB-OE1 3.39Å; S53-E140 PolarHBondContact OG-OE1 3.24Å; L136-E140 WeakPolarHBondContact O-CG 3.47Å; L136-E140 PolarHBondContact O-N 3.31Å; I137-E140 PolarHBondContact O-N 3.24Å; E140-V142 VanDerWaalsContact C-N 3.34Å; E140-V142 PolarHBondContact O-N 3.36Å; E140-R143 WeakPolarHBondContact O-CA 3.2Å; E140-R143 WeakPolarHBondContact O-CB 3.32Å; E140-R143 PolarHBondContact O-N 3.17Å; E140-E144 WeakPolarHBondContact O-CG 3.13Å; E140-E144 PolarHBondContact O-N 3.1Å
141L69.7Low71.3Confident39 Ų3949.8 Ų49.820%0.20426%0.257CS..Hα-helixtrans-59.9-43.4174-64.8176.7000112L39 I137 R143 E144 E145 L188L39-L141 HydrophobicContact CD2-CD2 4.49Å; I137-L141 HydrophobicContact CG2-CD1 3.68Å; I137-L141 HydrophobicContact CG2-CG 4Å; I137-L141 WeakPolarHBondContact O-CG 3.38Å; I137-L141 PolarHBondContact O-N 2.86Å; L141-R143 PolarHBondContact O-N 2.87Å; L141-E144 PolarHBondContact O-N 3.43Å; L141-E144 VanDerWaalsContact O-N 3.09Å; L141-E145 PolarHBondContact O-N 3.04Å; L141-L188 HydrophobicContact CD1-CD2 4.29Å; L141-L188 HydrophobicContact CD1-CG 4.02Å; L141-L188 HydrophobicContact CD2-CD1 4.43Å; L141-L188 HydrophobicContact CD2-CD2 3.68Å; L141-L188 HydrophobicContact CD2-CG 4.02Å
142V69.2Low69.9Low35 Ų3553.2 Ų53.221%0.21228%0.275CS..Hα-helixtrans-62.6-18.3173.1166.90000112.6E138 E140 V148 T256E138-V142 VanDerWaalsContact O-CG2 3.25Å; E138-V142 WeakPolarHBondContact O-CG2 3.24Å; E138-V142 PolarHBondContact O-N 3.11Å; E140-V142 VanDerWaalsContact C-N 3.34Å; E140-V142 PolarHBondContact O-N 3.36Å; V142-V148 HydrophobicContact CG1-CG2 4.3Å; V142-V148 HydrophobicContact CG2-CG2 4.34Å; V142-T256 HydrophobicContact CG1-CG2 3.48Å; V142-T256 VanDerWaalsContact CG1-CG2 3.48Å
143R67.5Low68.6Low81 Ų8153.6 Ų53.631%0.30628%0.278SS..Hα-helixtrans-85.2-26.7174.7-160.9-168.8175.5-177.1-2113.1D49 T139 E140 L141 I255D49-R143 IonicContact OD2-CZ 2.76Å; D49-R143 IonicContact OD2-NH1 2.63Å; D49-R143 PolarHBondContact OD2-NH1 2.88Å; D49-R143 IonicContact OD2-NH2 2.83Å; D49-R143 PolarHBondContact OD2-NH2 3.42Å; T139-R143 PolarHBondContact O-N 3.34Å; E140-R143 WeakPolarHBondContact O-CA 3.2Å; E140-R143 WeakPolarHBondContact O-CB 3.32Å; E140-R143 PolarHBondContact O-N 3.17Å; L141-R143 PolarHBondContact O-N 2.87Å; R143-I255 HydrophobicContact CB-CG2 3.81Å; R143-I255 HydrophobicContact CG-CG2 3.85Å
144E62.6Low67.6Low80 Ų8054.8 Ų54.837%0.37428%0.282SS..Hα-helixtrans-74.1-43.4173.7-47.1-170.1167.100110.1P45 E140 L141 N146P45-E144 WeakPolarHBondContact CD-OE1 3.48Å; P45-E144 HydrophobicContact CG-CB 4.26Å; P45-E144 VanDerWaalsContact CG-CD 3.43Å; P45-E144 HydrophobicContact CG-CG 3.59Å; P45-E144 VanDerWaalsContact CG-OE1 3.31Å; P45-E144 WeakPolarHBondContact CG-OE1 3.12Å; E140-E144 WeakPolarHBondContact O-CG 3.13Å; E140-E144 PolarHBondContact O-N 3.1Å; L141-E144 PolarHBondContact O-N 3.43Å; L141-E144 VanDerWaalsContact O-N 3.09Å; E144-N146 PolarHBondContact O-N 3.43Å
145E60.6Low66.7Low104 Ų10455.1 Ų55.149%0.48628%0.282SS..  trans-83.675.3178.7-167.1161.3-139.200111.1L141 S147 V148L141-E145 PolarHBondContact O-N 3.04Å; E145-S147 PolarHBondContact O-N 3.3Å; E145-V148 HydrophobicContact CB-CG2 3.93Å; E145-V148 HydrophobicContact CG-CG2 3.88Å; E145-V148 WeakPolarHBondContact O-CG2 3.35Å; E145-V148 PolarHBondContact O-N 3.49Å; E145-V148 VanDerWaalsContact O-N 3.1Å
146N54.9Low66Low157 Ų15755.1 Ų55.184%0.8428%0.281SS*.THydrogen-bonded Turntrans-55.74.3174.7-81-48.9000115.5E144E144-N146 PolarHBondContact O-N 3.43Å
147S49.6Very low65.4Low88 Ų8855.5 Ų55.562%0.61528%0.283SS*.THydrogen-bonded Turntrans-120.410-178.153.10000114.1E145 H149E145-S147 PolarHBondContact O-N 3.3Å; S147-H149 PolarHBondContact O-N 2.96Å
148V55.3Low65.2Low36 Ų3655.7 Ų55.722%0.21828%0.284CS..  trans-54.5124.8175.3169.70000110.3V142 E145 D152 V153V142-V148 HydrophobicContact CG1-CG2 4.3Å; V142-V148 HydrophobicContact CG2-CG2 4.34Å; E145-V148 HydrophobicContact CB-CG2 3.93Å; E145-V148 HydrophobicContact CG-CG2 3.88Å; E145-V148 WeakPolarHBondContact O-CG2 3.35Å; E145-V148 PolarHBondContact O-N 3.49Å; E145-V148 VanDerWaalsContact O-N 3.1Å; V148-D152 HydrophobicContact CG1-CB 3.98Å; V148-V153 HydrophobicContact CG1-CG2 4.26Å
149H54.2Low64.9Low136 Ų13655.4 Ų55.463%0.6328%0.283SS*.  trans-62.4142.3178.3-92.2-105.7000110.9S147 D151 D152S147-H149 PolarHBondContact O-N 2.96Å; H149-D151 PolarHBondContact O-N 3.41Å; H149-D152 PolarHBondContact O-N 3.02Å
150M54.8Low64.6Low86 Ų8660.1 Ų60.142%0.42430%0.304SS..Hα-helixtrans-50.9-34.1-179-75.9-86.993.600113.3D152 W154 Y258M150-D152 PolarHBondContact O-N 3.14Å; M150-W154 PolarHBondContact O-NE1 3.45Å; M150-Y258 HydrophobicContact CE-CD2 3.59Å; M150-Y258 HydrophobicContact CE-CE2 3.63Å; M150-Y258 HydrophobicContact CE-CG 4.42Å; M150-Y258 HydrophobicContact SD-CD2 3.99Å; M150-Y258 HydrophobicContact SD-CE2 3.35Å; M150-Y258 WeakPolarHBondContact SD-CE2 3.43Å
151D60.7Low64.3Low119 Ų11964.1 Ų64.164%0.63633%0.326SS*.Hα-helixtrans-67.1-32.1-178.6-55.3-64.1000113.3H149 W154H149-D151 PolarHBondContact O-N 3.41Å; D151-W154 PolarHBondContact O-N 3.44Å
152D63.6Low64.1Low74 Ų7465.4 Ų65.440%0.39633%0.33SS..Hα-helixtrans-78.1-25.3-177.4-67.5-47.2000112.7V148 H149 M150 W154 F155V148-D152 HydrophobicContact CG1-CB 3.98Å; H149-D152 PolarHBondContact O-N 3.02Å; M150-D152 PolarHBondContact O-N 3.14Å; D152-W154 PolarHBondContact O-N 2.97Å; D152-F155 VanDerWaalsContact O-CB 3.27Å; D152-F155 WeakPolarHBondContact O-CB 3.47Å; D152-F155 PolarHBondContact O-N 2.86Å
153V65.9Low63.5Low9 Ų970.6 Ų70.66%0.05536%0.357CS..Hα-helixtrans-57.5-38.1172.6-176.70000110.3V148 F155 R252 I253V148-V153 HydrophobicContact CG1-CG2 4.26Å; V153-F155 VanDerWaalsContact C-N 3.28Å; V153-F155 PolarHBondContact O-N 3.04Å; V153-R252 HydrophobicContact CG1-CB 4.36Å; V153-R252 PolarHBondContact O-NH1 3.23Å; V153-I253 HydrophobicContact CG1-CG1 3.76Å
154W68Low62.9Low27 Ų2769 Ų6910%0.10236%0.359CS..THydrogen-bonded Turntrans-81.55.3176.4-51.1108.8000114.1M150 D151 D152 T156 N159 T249 I253 L353 Q357 Q359 L362M150-W154 PolarHBondContact O-NE1 3.45Å; D151-W154 PolarHBondContact O-N 3.44Å; D152-W154 PolarHBondContact O-N 2.97Å; W154-T156 PolarHBondContact O-N 3.11Å; W154-N159 PolarHBondContact O-ND2 3.27Å; W154-N159 PolarHBondContact O-OD1 2.95Å; W154-T249 HydrophobicContact CE3-CG2 4.2Å; W154-T249 HydrophobicContact CZ3-CG2 4.02Å; W154-I253 HydrophobicContact CE3-CD1 4.45Å; W154-I253 HydrophobicContact CH2-CD1 3.58Å; W154-I253 HydrophobicContact CZ2-CD1 4.33Å; W154-I253 HydrophobicContact CZ3-CD1 3.64Å; W154-L353 HydrophobicContact CH2-CD1 4.45Å; W154-Q357 HydrophobicContact CH2-CB 3.89Å; W154-Q357 HydrophobicContact CH2-CG 4.33Å; W154-Q357 HydrophobicContact CZ2-CB 3.89Å; W154-Q357 HydrophobicContact CZ2-CG 3.94Å; W154-Q359 HydrophobicContact CD2-CG 3.8Å; W154-Q359 HydrophobicContact CE3-CB 4.2Å; W154-Q359 HydrophobicContact CE3-CG 3.89Å; W154-Q359 HydrophobicContact CG-CG 4.44Å; W154-Q359 HydrophobicContact CH2-CG 4.01Å; W154-Q359 HydrophobicContact CZ2-CG 3.92Å; W154-Q359 HydrophobicContact CZ3-CB 4.22Å; W154-Q359 HydrophobicContact CZ3-CG 3.99Å; W154-L362 HydrophobicContact CH2-CD1 4.01Å; W154-L362 HydrophobicContact CZ3-CD1 3.77Å; W154-L362 HydrophobicContact CZ3-CD2 4.24Å; W154-L362 HydrophobicContact CZ3-CG 3.99Å
155F66.7Low62.3Low21 Ų2170.9 Ų70.99%0.09238%0.378CS..  trans-75.888.3174.8-163.6-79.7000111.5D152 V153 N159 Y167 R252D152-F155 VanDerWaalsContact O-CB 3.27Å; D152-F155 WeakPolarHBondContact O-CB 3.47Å; D152-F155 PolarHBondContact O-N 2.86Å; V153-F155 VanDerWaalsContact C-N 3.28Å; V153-F155 PolarHBondContact O-N 3.04Å; F155-N159 WeakPolarHBondContact CA-ND2 3.45Å; F155-N159 HydrophobicContact CE2-CB 4.49Å; F155-Y167 AromaticContact CE2-CD2 3.98Å; F155-Y167 HydrophobicContact CE2-CD2 3.98Å; F155-Y167 HydrophobicContact CE2-CE2 4.03Å; F155-Y167 HydrophobicContact CZ-CD2 4.07Å; F155-Y167 AromaticContact CZ-CE2 3.63Å; F155-Y167 HydrophobicContact CZ-CE2 3.63Å; F155-R252 PolarHBondContact O-NH1 3.09Å
156T73.4Confident61.9Low3 Ų370.8 Ų70.82%0.01838%0.38CS..  trans-93.1160.3176.777.50000112.1W154 L158 N159 V245 V361W154-T156 PolarHBondContact O-N 3.11Å; T156-L158 PolarHBondContact O-N 3.04Å; T156-L158 PolarHBondContact OG1-N 3.32Å; T156-N159 PolarHBondContact N-OD1 3.05Å; T156-N159 WeakPolarHBondContact O-CB 3.49Å; T156-N159 PolarHBondContact O-N 2.95Å; T156-N159 PolarHBondContact O-OD1 3.48Å; T156-N159 PolarHBondContact OG1-OD1 3.5Å; T156-V245 HydrophobicContact CG2-CG1 3.87Å; T156-V361 HydrophobicContact CG2-CG1 3.91Å
157E72.8Confident61.6Low13 Ų1365.7 Ų65.76%0.06135%0.35CS..THydrogen-bonded Turntrans-58.9-15.4172.6-62.3-67.9169.700113.3F160 S197 F200E157-F160 WeakPolarHBondContact O-CD1 3.36Å; E157-F160 WeakPolarHBondContact O-CE1 3.4Å; E157-S197 WeakPolarHBondContact OE1-CB 2.97Å; E157-S197 PolarHBondContact OE1-OG 3.16Å; E157-S197 PolarHBondContact OE2-N 3.4Å; E157-S197 PolarHBondContact OE2-OG 3.45Å; E157-F200 HydrophobicContact CB-CD1 3.82Å; E157-F200 HydrophobicContact CB-CD2 3.94Å; E157-F200 HydrophobicContact CB-CE1 3.69Å; E157-F200 HydrophobicContact CB-CE2 3.84Å; E157-F200 HydrophobicContact CB-CG 3.91Å; E157-F200 HydrophobicContact CB-CZ 3.69Å; E157-F200 HydrophobicContact CG-CB 4.24Å; E157-F200 HydrophobicContact CG-CD1 4.32Å; E157-F200 HydrophobicContact CG-CD2 4.01Å; E157-F200 HydrophobicContact CG-CE2 4.35Å; E157-F200 HydrophobicContact CG-CG 3.97Å
158L74.4Confident61.6Low10 Ų1063.9 Ų63.95%0.05234%0.344CS..THydrogen-bonded Turntrans-96.210.7175.1-67.5178.9000113.8T156 F160 L161 H162 F200 V241 F242 V245T156-L158 PolarHBondContact O-N 3.04Å; T156-L158 PolarHBondContact OG1-N 3.32Å; L158-F160 HydrophobicContact CD2-CE1 4.06Å; L158-F160 HydrophobicContact CD2-CZ 4.1Å; L158-F160 PolarHBondContact O-N 2.7Å; L158-L161 WeakPolarHBondContact O-CB 3.25Å; L158-L161 PolarHBondContact O-N 3.34Å; L158-H162 PolarHBondContact O-N 3.25Å; L158-H162 PolarHBondContact O-ND1 3.38Å; L158-F200 HydrophobicContact CD2-CZ 4.09Å; L158-F200 HydrophobicContact CG-CZ 4.39Å; L158-V241 HydrophobicContact CD1-CG1 4.24Å; L158-V241 HydrophobicContact CD2-CG1 4.1Å; L158-V241 HydrophobicContact CG-CG1 4.45Å; L158-F242 HydrophobicContact CD1-CD1 3.86Å; L158-F242 HydrophobicContact CD1-CE1 3.64Å; L158-F242 HydrophobicContact CD1-CZ 4.14Å; L158-V245 HydrophobicContact CD1-CB 4.44Å; L158-V245 HydrophobicContact CD1-CG2 3.85Å; L158-V245 HydrophobicContact CG-CG2 3.95Å
159N69.7Low61.3Low23 Ų2364.1 Ų64.112%0.12335%0.351CS..THydrogen-bonded Turntrans-68-19.6180-77.632.3000113.2W154 F155 T156 L161 H162 Y167W154-N159 PolarHBondContact O-ND2 3.27Å; W154-N159 PolarHBondContact O-OD1 2.95Å; F155-N159 WeakPolarHBondContact CA-ND2 3.45Å; F155-N159 HydrophobicContact CE2-CB 4.49Å; T156-N159 PolarHBondContact N-OD1 3.05Å; T156-N159 WeakPolarHBondContact O-CB 3.49Å; T156-N159 PolarHBondContact O-N 2.95Å; T156-N159 PolarHBondContact O-OD1 3.48Å; T156-N159 PolarHBondContact OG1-OD1 3.5Å; N159-L161 VanDerWaalsContact C-N 3.27Å; N159-L161 PolarHBondContact O-N 2.93Å; N159-H162 PolarHBondContact O-N 3.29Å; N159-Y167 HydrophobicContact CB-CD2 4.08Å; N159-Y167 HydrophobicContact CB-CE2 4.2Å
160F69Low61.1Low99 Ų9959.1 Ų59.143%0.43433%0.331SS..THydrogen-bonded Turntrans-62.9-32.8169.272.6-96.6000112.4E157 L158 Y167 V196E157-F160 WeakPolarHBondContact O-CD1 3.36Å; E157-F160 WeakPolarHBondContact O-CE1 3.4Å; L158-F160 HydrophobicContact CD2-CE1 4.06Å; L158-F160 HydrophobicContact CD2-CZ 4.1Å; L158-F160 PolarHBondContact O-N 2.7Å; F160-Y167 HydrophobicContact CB-CE2 4.41Å; F160-V196 HydrophobicContact CD1-CG2 4Å; F160-V196 HydrophobicContact CE1-CG2 4.34Å
161L68.4Low60.9Low107 Ų10757.5 Ų57.556%0.5632%0.324SS*.THydrogen-bonded Turntrans-77.9-32.2-178.2-174.866.7000111.9L158 N159 N163L158-L161 WeakPolarHBondContact O-CB 3.25Å; L158-L161 PolarHBondContact O-N 3.34Å; N159-L161 VanDerWaalsContact C-N 3.27Å; N159-L161 PolarHBondContact O-N 2.93Å; L161-N163 PolarHBondContact O-N 3.04Å
162H64.4Low60.3Low65 Ų6558.2 Ų58.230%0.30132%0.321SS..THydrogen-bonded Turntrans-83.94.8-177.8-6686.5000113.4L158 N159 S164L158-H162 PolarHBondContact O-N 3.25Å; L158-H162 PolarHBondContact O-ND1 3.38Å; N159-H162 PolarHBondContact O-N 3.29Å; H162-S164 PolarHBondContact O-N 2.72Å
163N56.2Low59.6Low144 Ų14459.2 Ų59.277%0.7733%0.326SS*.THydrogen-bonded Turntrans48.736.7167.9-15230.9000114.5L161L161-N163 PolarHBondContact O-N 3.04Å
164S54.7Low58.7Low49 Ų4964 Ų6434%0.34334%0.344SS..  trans-61.5128.4-179.8178.20000109.5H162 N166 Y167H162-S164 PolarHBondContact O-N 2.72Å; S164-N166 PolarHBondContact O-N 3.21Å; S164-N166 VanDerWaalsContact O-N 3.11Å; S164-N166 PolarHBondContact OG-N 2.98Å; S164-Y167 VanDerWaalsContact O-CB 3.3Å; S164-Y167 WeakPolarHBondContact O-CB 3.35Å; S164-Y167 PolarHBondContact O-N 3.37Å
165P50.7Low57.5Low119 Ų11970.5 Ų70.577%0.77337%0.369SS*.THydrogen-bonded Turntrans-60.2-25176.226.2-34.4000111.3Y167P165-Y167 VanDerWaalsContact C-N 3.29Å; P165-Y167 PolarHBondContact O-N 3Å
166N52.1Low56.4Low102 Ų10273.7 Ų73.755%0.54539%0.387SS..Hα-helixtrans-79.7-1.4175.4-65.9-4.6000113.4S164 A169 S170S164-N166 PolarHBondContact O-N 3.21Å; S164-N166 VanDerWaalsContact O-N 3.11Å; S164-N166 PolarHBondContact OG-N 2.98Å; N166-A169 PolarHBondContact O-N 3.48Å; N166-S170 WeakPolarHBondContact O-CA 3.32Å; N166-S170 WeakPolarHBondContact O-CB 3.3Å; N166-S170 PolarHBondContact O-N 3.21Å
167Y48.3Very low55.2Low50 Ų5078.2 Ų78.220%0.19641%0.411CS..Hα-helixtrans-62.5-46.8176.2-170.1-99.7000111F155 N159 F160 S164 P165 L171 G195F155-Y167 AromaticContact CE2-CD2 3.98Å; F155-Y167 HydrophobicContact CE2-CD2 3.98Å; F155-Y167 HydrophobicContact CE2-CE2 4.03Å; F155-Y167 HydrophobicContact CZ-CD2 4.07Å; F155-Y167 AromaticContact CZ-CE2 3.63Å; F155-Y167 HydrophobicContact CZ-CE2 3.63Å; N159-Y167 HydrophobicContact CB-CD2 4.08Å; N159-Y167 HydrophobicContact CB-CE2 4.2Å; F160-Y167 HydrophobicContact CB-CE2 4.41Å; S164-Y167 VanDerWaalsContact O-CB 3.3Å; S164-Y167 WeakPolarHBondContact O-CB 3.35Å; S164-Y167 PolarHBondContact O-N 3.37Å; P165-Y167 VanDerWaalsContact C-N 3.29Å; P165-Y167 PolarHBondContact O-N 3Å; Y167-L171 WeakPolarHBondContact O-CB 3.33Å; Y167-L171 PolarHBondContact O-N 2.74Å; Y167-L171 VanDerWaalsContact O-N 3.09Å; Y167-G195 WeakPolarHBondContact OH-CA 3.21Å; Y167-G195 PolarHBondContact OH-O 2.65Å
168G50.1Low54.1Low49 Ų4979.2 Ų79.251%0.50542%0.419SS..Hα-helixtrans-68.1-36.7173.900000113.3K172G168-K172 WeakPolarHBondContact O-CB 3.39Å; G168-K172 PolarHBondContact O-N 3Å
169A48.2Very low52.7Low42 Ų4284.9 Ų84.935%0.34745%0.45SS..Hα-helixtrans-75.4-44.2-178.600000113.1N166 K172 N173N166-A169 PolarHBondContact O-N 3.48Å; A169-K172 PolarHBondContact O-N 3.39Å; A169-N173 VanDerWaalsContact O-CB 3.31Å; A169-N173 WeakPolarHBondContact O-CB 3.43Å; A169-N173 PolarHBondContact O-N 3.2Å; A169-N173 PolarHBondContact O-OD1 3.35Å
170S50.1Low51.4Low31 Ų3192 Ų9222%0.21748%0.482CS..Hα-helixtrans-62.3-47173.1171.20000110.4N166 K172 N173 Y174N166-S170 WeakPolarHBondContact O-CA 3.32Å; N166-S170 WeakPolarHBondContact O-CB 3.3Å; N166-S170 PolarHBondContact O-N 3.21Å; S170-K172 VanDerWaalsContact C-N 3.34Å; S170-K172 PolarHBondContact O-N 2.97Å; S170-N173 PolarHBondContact O-N 2.93Å; S170-Y174 VanDerWaalsContact O-CB 3.28Å; S170-Y174 WeakPolarHBondContact O-CB 3.28Å; S170-Y174 PolarHBondContact O-N 3.25Å
171L50.7Low50.2Low52 Ų5291.7 Ų91.727%0.27248%0.482SS..Hα-helixtrans-59-45.4175-165.480000111.2Y167 Y174 W175Y167-L171 WeakPolarHBondContact O-CB 3.33Å; Y167-L171 PolarHBondContact O-N 2.74Å; Y167-L171 VanDerWaalsContact O-N 3.09Å; L171-Y174 WeakPolarHBondContact O-CB 3.36Å; L171-Y174 PolarHBondContact O-N 3.29Å; L171-W175 PolarHBondContact O-N 2.96Å
172K49.8Very low49Very low134 Ų13492.1 Ų92.158%0.58348%0.484SS*.Hα-helixtrans-65.6-40.9177.7-173.6176.5-179.1-178.30112.8G168 A169 S170 Y174 W175 N176G168-K172 WeakPolarHBondContact O-CB 3.39Å; G168-K172 PolarHBondContact O-N 3Å; A169-K172 PolarHBondContact O-N 3.39Å; S170-K172 VanDerWaalsContact C-N 3.34Å; S170-K172 PolarHBondContact O-N 2.97Å; K172-Y174 VanDerWaalsContact C-N 3.31Å; K172-W175 PolarHBondContact O-N 3.47Å; K172-N176 VanDerWaalsContact O-CB 3.31Å; K172-N176 WeakPolarHBondContact O-CB 3.27Å; K172-N176 VanDerWaalsContact O-CG 3.31Å; K172-N176 PolarHBondContact O-N 2.93Å; K172-N176 PolarHBondContact O-OD1 2.78Å
173N48.8Very low47.9Very low94 Ų9499.1 Ų99.150%0.50351%0.514SS..Hα-helixtrans-65.9-36.1175.7-70.1-3.8000111A169 S170 N176 N177A169-N173 VanDerWaalsContact O-CB 3.31Å; A169-N173 WeakPolarHBondContact O-CB 3.43Å; A169-N173 PolarHBondContact O-N 3.2Å; A169-N173 PolarHBondContact O-OD1 3.35Å; S170-N173 PolarHBondContact O-N 2.93Å; N173-N176 PolarHBondContact O-N 3.26Å; N173-N177 WeakPolarHBondContact O-CB 3.32Å; N173-N177 PolarHBondContact O-N 2.88Å; N173-N177 PolarHBondContact O-OD1 2.66Å
174Y46.3Very low47.3Very low111 Ų11197.1 Ų97.144%0.43550%0.498SS..Hα-helixtrans-66.3-42175.6-164-101.8000112.4S170 L171 K172 S178 V189S170-Y174 VanDerWaalsContact O-CB 3.28Å; S170-Y174 WeakPolarHBondContact O-CB 3.28Å; S170-Y174 PolarHBondContact O-N 3.25Å; L171-Y174 WeakPolarHBondContact O-CB 3.36Å; L171-Y174 PolarHBondContact O-N 3.29Å; K172-Y174 VanDerWaalsContact C-N 3.31Å; Y174-S178 WeakPolarHBondContact O-CB 3.44Å; Y174-S178 PolarHBondContact O-N 3.08Å; Y174-S178 VanDerWaalsContact O-N 3.1Å; Y174-S178 PolarHBondContact O-OG 3.16Å; Y174-V189 HydrophobicContact CE1-CG1 3.72Å; Y174-V189 WeakPolarHBondContact OH-CG1 3.49Å
175W43.1Very low46.8Very low162 Ų16298 Ų9861%0.61450%0.503SS*.Hα-helixtrans-65.7-49.4170.4-74.3111.2000112.1L171 K172 N177 S178 D179L171-W175 PolarHBondContact O-N 2.96Å; K172-W175 PolarHBondContact O-N 3.47Å; W175-N177 VanDerWaalsContact C-N 3.3Å; W175-N177 PolarHBondContact O-N 2.88Å; W175-S178 WeakPolarHBondContact CA-OG 3.37Å; W175-S178 PolarHBondContact O-N 3.29Å; W175-S178 VanDerWaalsContact O-N 3.1Å; W175-S178 PolarHBondContact O-OG 2.85Å; W175-D179 PolarHBondContact O-N 3.33Å
176N43.9Very low46.7Very low88 Ų8899 Ų9947%0.47150%0.498SS..Hα-helixtrans-60.6-36.8178.8-78.624.5000112.8K172 N173K172-N176 VanDerWaalsContact O-CB 3.31Å; K172-N176 WeakPolarHBondContact O-CB 3.27Å; K172-N176 VanDerWaalsContact O-CG 3.31Å; K172-N176 PolarHBondContact O-N 2.93Å; K172-N176 PolarHBondContact O-OD1 2.78Å; N173-N176 PolarHBondContact O-N 3.26Å
177N47.8Very low46.5Very low98 Ų9897.6 Ų97.652%0.52449%0.489SS..Hα-helixtrans-77-26.1177.8-70.1-0.1000111.9N173 W175 D179 Q180 E181N173-N177 WeakPolarHBondContact O-CB 3.32Å; N173-N177 PolarHBondContact O-N 2.88Å; N173-N177 PolarHBondContact O-OD1 2.66Å; W175-N177 VanDerWaalsContact C-N 3.3Å; W175-N177 PolarHBondContact O-N 2.88Å; N177-D179 VanDerWaalsContact C-N 3.31Å; N177-D179 PolarHBondContact O-N 3.44Å; N177-Q180 CarbonylContact O-C 3.59Å; N177-Q180 PolarHBondContact O-N 3.09Å; N177-E181 WeakPolarHBondContact O-CB 3.46Å; N177-E181 PolarHBondContact O-N 2.88Å
178S48.7Very low46.6Very low34 Ų3496.6 Ų96.624%0.23849%0.488CS..Hα-helixtrans-74.9-16.417740.40000114.2Y174 W175 Q180Y174-S178 WeakPolarHBondContact O-CB 3.44Å; Y174-S178 PolarHBondContact O-N 3.08Å; Y174-S178 VanDerWaalsContact O-N 3.1Å; Y174-S178 PolarHBondContact O-OG 3.16Å; W175-S178 WeakPolarHBondContact CA-OG 3.37Å; W175-S178 PolarHBondContact O-N 3.29Å; W175-S178 VanDerWaalsContact O-N 3.1Å; W175-S178 PolarHBondContact O-OG 2.85Å; S178-Q180 VanDerWaalsContact C-N 3.27Å
179D46Very low46.8Very low129 Ų12997 Ų9769%0.6948%0.48SS*.THydrogen-bonded Turntrans-68.5-25.2163.1-75.2-31.2000112.6W175 N177W175-D179 PolarHBondContact O-N 3.33Å; N177-D179 VanDerWaalsContact C-N 3.31Å; N177-D179 PolarHBondContact O-N 3.44Å
180Q43.2Very low47.2Very low173 Ų17395.5 Ų95.581%0.80847%0.467SS*.THydrogen-bonded Turntrans-97.3-29.2179.8-152.3168.221.300112.8N177 S178 L182N177-Q180 CarbonylContact O-C 3.59Å; N177-Q180 PolarHBondContact O-N 3.09Å; S178-Q180 VanDerWaalsContact C-N 3.27Å; Q180-L182 PolarHBondContact O-N 2.86Å
181E43.3Very low47.6Very low93 Ų9396.2 Ų96.244%0.43547%0.47SS..  trans-79.616.1171.2-92.8-88.8120.800113.9N177 K183 K184N177-E181 WeakPolarHBondContact O-CB 3.46Å; N177-E181 PolarHBondContact O-N 2.88Å; E181-K183 PolarHBondContact O-N 3.05Å; E181-K184 PolarHBondContact O-N 3.35Å; E181-K184 IonicContact OE1-NZ 3.14Å; E181-K184 PolarHBondContact OE1-NZ 2.67Å; E181-K184 WeakPolarHBondContact OE2-CD 3.29Å; E181-K184 WeakPolarHBondContact OE2-CE 3.46Å; E181-K184 WeakPolarHBondContact OE2-CG 3.45Å; E181-K184 IonicContact OE2-NZ 2.66Å; E181-K184 PolarHBondContact OE2-NZ 2.88Å
182L43.5Very low48.1Very low115 Ų11596.9 Ų96.960%0.60247%0.469SS*.THydrogen-bonded Turntrans-62.516.4-175.8-151.876.9000115.8Q180Q180-L182 PolarHBondContact O-N 2.86Å
183K40.7Very low48.5Very low213 Ų21393.2 Ų93.293%0.92646%0.458SS*.THydrogen-bonded Turntrans-113.8-15169.4-74.9-175.2175.9178.60114.2E181E181-K183 PolarHBondContact O-N 3.05Å
184K43.7Very low48.9Very low101 Ų10198.2 Ų98.244%0.43948%0.476SS..SBendtrans-83.4138.7161.8-64.5-156.9-168.585.30108.3E181 Q186E181-K184 PolarHBondContact O-N 3.35Å; E181-K184 IonicContact OE1-NZ 3.14Å; E181-K184 PolarHBondContact OE1-NZ 2.67Å; E181-K184 WeakPolarHBondContact OE2-CD 3.29Å; E181-K184 WeakPolarHBondContact OE2-CE 3.46Å; E181-K184 WeakPolarHBondContact OE2-CG 3.45Å; E181-K184 IonicContact OE2-NZ 2.66Å; E181-K184 PolarHBondContact OE2-NZ 2.88Å; K184-Q186 PolarHBondContact O-N 2.91Å
185P44.6Very low49.6Very low69 Ų6993.1 Ų93.145%0.44846%0.457SS..  trans-67121.3-177.426.3-33.2000110.4L187 L188P185-L187 HydrophobicContact CB-CB 4.26Å; P185-L187 PolarHBondContact O-N 2.89Å; P185-L188 VanDerWaalsContact O-CB 3.31Å; P185-L188 WeakPolarHBondContact O-CB 3.28Å; P185-L188 PolarHBondContact O-N 3.33Å
186Q48Very low51.1Low140 Ų14086.6 Ų86.665%0.65444%0.435SS*.G310 helixtrans-50.3-25.1177.3-66.5175.2-21.400113.3K184 L188 V189K184-Q186 PolarHBondContact O-N 2.91Å; Q186-L188 PolarHBondContact O-N 3.05Å; Q186-V189 WeakPolarHBondContact O-CB 3.34Å; Q186-V189 PolarHBondContact O-N 3.43Å
187L48.8Very low52.9Low71 Ų7182.5 Ų82.537%0.37241%0.413SS..G310 helixtrans-49.8-33.1170.9-162.171000114.7A34 R35 A38 P185 V189A34-L187 HydrophobicContact CB-CD1 3.9Å; A34-L187 HydrophobicContact CB-CD2 3.86Å; A34-L187 HydrophobicContact CB-CG 4.22Å; A34-L187 VanDerWaalsContact O-CD2 3.28Å; A34-L187 WeakPolarHBondContact O-CD2 3.44Å; R35-L187 VanDerWaalsContact CG-O 3.23Å; R35-L187 WeakPolarHBondContact CG-O 3.4Å; R35-L187 PolarHBondContact NE-O 3.4Å; A38-L187 HydrophobicContact CB-CD2 4.16Å; P185-L187 HydrophobicContact CB-CB 4.26Å; P185-L187 PolarHBondContact O-N 2.89Å; L187-V189 VanDerWaalsContact C-N 3.34Å
188L49.8Very low54.8Low30 Ų3078.8 Ų78.816%0.15739%0.393CS..G310 helixtrans-69.6-32.7-177.4-150.171.5000112L39 L141 P185 Q186L39-L188 HydrophobicContact CD1-CD1 4.44Å; L39-L188 HydrophobicContact CD2-CD1 3.94Å; L39-L188 HydrophobicContact CG-CD1 3.94Å; L141-L188 HydrophobicContact CD1-CD2 4.29Å; L141-L188 HydrophobicContact CD1-CG 4.02Å; L141-L188 HydrophobicContact CD2-CD1 4.43Å; L141-L188 HydrophobicContact CD2-CD2 3.68Å; L141-L188 HydrophobicContact CD2-CG 4.02Å; P185-L188 VanDerWaalsContact O-CB 3.31Å; P185-L188 WeakPolarHBondContact O-CB 3.28Å; P185-L188 PolarHBondContact O-N 3.33Å; Q186-L188 PolarHBondContact O-N 3.05Å
189V54.6Low56.8Low56 Ų5677.5 Ų77.534%0.33938%0.384SS..SBendtrans-69133.3-177.8170.90000111R35 Y174 Q186 L187 V191R35-V189 PolarHBondContact NH2-O 3.48Å; Y174-V189 HydrophobicContact CE1-CG1 3.72Å; Y174-V189 WeakPolarHBondContact OH-CG1 3.49Å; Q186-V189 WeakPolarHBondContact O-CB 3.34Å; Q186-V189 PolarHBondContact O-N 3.43Å; L187-V189 VanDerWaalsContact C-N 3.34Å; V189-V191 PolarHBondContact O-N 2.89Å
190S56Low59Low12 Ų1271.4 Ų71.48%0.08435%0.351CS..  trans-53.4126176.6-150.70000111E138 R192E138-S190 WeakPolarHBondContact OE1-CB 3.26Å; E138-S190 PolarHBondContact OE1-OG 2.84Å; S190-R192 VanDerWaalsContact C-N 3.35Å; S190-R192 PolarHBondContact O-N 3.33Å
191V57.9Low61.3Low46 Ų4666.1 Ų66.128%0.27933%0.33SS..  trans-76.591-175.4177.40000108.3I31 V189 L198I31-V191 HydrophobicContact CD1-CB 4.39Å; I31-V191 HydrophobicContact CD1-CG2 3.85Å; I31-V191 HydrophobicContact CG2-CG2 4.35Å; V189-V191 PolarHBondContact O-N 2.89Å; V191-L198 PolarHBondContact O-N 2.98Å
192R61.7Low63.8Low66 Ų6661.7 Ų61.725%0.24931%0.31CS..EExtended strand (participates in β ladder)trans-97.491.1-175.9-72.5-177.5-179.4162.25.6111.3E138 S190 F194 V196E138-R192 IonicContact OE1-NH2 2.66Å; E138-R192 IonicContact OE2-NH2 3.53Å; S190-R192 VanDerWaalsContact C-N 3.35Å; S190-R192 PolarHBondContact O-N 3.33Å; R192-F194 PolarHBondContact O-N 2.93Å; R192-V196 CarbonylContact C-O 3.57Å; R192-V196 VanDerWaalsContact CA-O 3.28Å; R192-V196 WeakPolarHBondContact CA-O 3.27Å
193T58Low66.2Low57 Ų5756.5 Ų56.535%0.3528%0.282SS..EExtended strand (participates in β ladder)trans-70.4121.8168.7480000109.5G195 V196 L198T193-G195 PolarHBondContact O-N 2.97Å; T193-V196 PolarHBondContact N-O 3.39Å; T193-V196 PolarHBondContact O-N 2.74Å; T193-V196 VanDerWaalsContact O-N 3.12Å; T193-V196 VanDerWaalsContact O-O 3.05Å; T193-L198 HydrophobicContact CG2-CD1 4.37Å
194F57.2Low68.8Low199 Ų19949.3 Ų49.387%0.87325%0.253SS*.THydrogen-bonded Turntrans55.527.8-176-49.9-78.8000114.2R192 V196R192-F194 PolarHBondContact O-N 2.93Å; F194-V196 VanDerWaalsContact C-N 3.3Å; F194-V196 PolarHBondContact O-N 3.03Å
195G62.3Low71.3Confident4 Ų445.8 Ų45.84%0.04124%0.242CC..THydrogen-bonded Turntrans80.81-179.300000115.5Y167 T193Y167-G195 WeakPolarHBondContact OH-CA 3.21Å; Y167-G195 PolarHBondContact OH-O 2.65Å; T193-G195 PolarHBondContact O-N 2.97Å
196V72.8Confident73.7Confident25 Ų2542.5 Ų42.515%0.15222%0.22CC..EExtended strand (participates in β ladder)trans-108.9134.5174-1770000109.2F160 R192 T193 F194 F200 V201F160-V196 HydrophobicContact CD1-CG2 4Å; F160-V196 HydrophobicContact CE1-CG2 4.34Å; R192-V196 CarbonylContact C-O 3.57Å; R192-V196 VanDerWaalsContact CA-O 3.28Å; R192-V196 WeakPolarHBondContact CA-O 3.27Å; T193-V196 PolarHBondContact N-O 3.39Å; T193-V196 PolarHBondContact O-N 2.74Å; T193-V196 VanDerWaalsContact O-N 3.12Å; T193-V196 VanDerWaalsContact O-O 3.05Å; F194-V196 VanDerWaalsContact C-N 3.3Å; F194-V196 PolarHBondContact O-N 3.03Å; V196-F200 HydrophobicContact CG1-CD1 3.61Å; V196-F200 HydrophobicContact CG1-CE1 4.31Å; V196-V201 HydrophobicContact CB-CG2 4.48Å; V196-V201 HydrophobicContact CG1-CG2 3.87Å
197S83.4Confident76.1Confident1 Ų136.1 Ų36.11%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-71.1137.9-178.672.70000112.6E157 P199 F200 V201E157-S197 WeakPolarHBondContact OE1-CB 2.97Å; E157-S197 PolarHBondContact OE1-OG 3.16Å; E157-S197 PolarHBondContact OE2-N 3.4Å; E157-S197 PolarHBondContact OE2-OG 3.45Å; S197-P199 VanDerWaalsContact C-CD 3.41Å; S197-P199 VanDerWaalsContact C-N 3.35Å; S197-F200 WeakPolarHBondContact O-CB 3.42Å; S197-F200 PolarHBondContact O-N 3.5Å; S197-V201 PolarHBondContact O-N 3.11Å; S197-V201 VanDerWaalsContact O-N 3.14Å
198L87.4Confident78.3Confident20 Ų2035.4 Ų35.411%0.10519%0.189CC..Hα-helixtrans-57.7-35.4-178.8-163.267000114.4L24 Y27 L28 V191 T193 F200 V201 N202L24-L198 HydrophobicContact CD1-CD1 3.83Å; L24-L198 HydrophobicContact CD1-CD2 3.76Å; L24-L198 HydrophobicContact CD1-CG 3.73Å; Y27-L198 HydrophobicContact CD1-CD2 3.62Å; Y27-L198 HydrophobicContact CE1-CD2 3.67Å; L28-L198 HydrophobicContact CD2-CB 4.01Å; L28-L198 HydrophobicContact CD2-CD2 3.94Å; L28-L198 HydrophobicContact CD2-CG 4.04Å; L28-L198 HydrophobicContact CG-CD2 4.45Å; V191-L198 PolarHBondContact O-N 2.98Å; T193-L198 HydrophobicContact CG2-CD1 4.37Å; L198-F200 VanDerWaalsContact C-N 3.32Å; L198-F200 PolarHBondContact O-N 3.49Å; L198-V201 PolarHBondContact O-N 2.79Å; L198-N202 WeakPolarHBondContact O-CB 3.39Å; L198-N202 PolarHBondContact O-N 3.39Å
199P91.1Very high80.5Confident8 Ų834.8 Ų34.85%0.05219%0.188CC..Hα-helixtrans-59.3-37.2169.6-2434000114L28 F130 L131 S134 S197 N202 Y203L28-P199 HydrophobicContact CD2-CG 3.89Å; F130-P199 HydrophobicContact CB-CB 4.41Å; L131-P199 HydrophobicContact CD1-CB 4.18Å; S134-P199 WeakPolarHBondContact OG-CG 3.3Å; S197-P199 VanDerWaalsContact C-CD 3.41Å; S197-P199 VanDerWaalsContact C-N 3.35Å; P199-N202 WeakPolarHBondContact O-CB 3.45Å; P199-N202 PolarHBondContact O-N 3.32Å; P199-Y203 PolarHBondContact O-N 3.5Å
200F91.1Very high82.4Confident1 Ų132.2 Ų32.20%0.00417%0.173CC..Hα-helixtrans-73-38.9-179.7-175.2-104.3000111.5L131 E157 L158 V196 S197 L198 N202 Y203 I204 V241 F244L131-F200 HydrophobicContact CD1-CB 3.96Å; L131-F200 HydrophobicContact CD1-CD2 4.19Å; L131-F200 HydrophobicContact CD2-CD2 4.33Å; E157-F200 HydrophobicContact CB-CD1 3.82Å; E157-F200 HydrophobicContact CB-CD2 3.94Å; E157-F200 HydrophobicContact CB-CE1 3.69Å; E157-F200 HydrophobicContact CB-CE2 3.84Å; E157-F200 HydrophobicContact CB-CG 3.91Å; E157-F200 HydrophobicContact CB-CZ 3.69Å; E157-F200 HydrophobicContact CG-CB 4.24Å; E157-F200 HydrophobicContact CG-CD1 4.32Å; E157-F200 HydrophobicContact CG-CD2 4.01Å; E157-F200 HydrophobicContact CG-CE2 4.35Å; E157-F200 HydrophobicContact CG-CG 3.97Å; L158-F200 HydrophobicContact CD2-CZ 4.09Å; L158-F200 HydrophobicContact CG-CZ 4.39Å; V196-F200 HydrophobicContact CG1-CD1 3.61Å; V196-F200 HydrophobicContact CG1-CE1 4.31Å; S197-F200 WeakPolarHBondContact O-CB 3.42Å; S197-F200 PolarHBondContact O-N 3.5Å; L198-F200 VanDerWaalsContact C-N 3.32Å; L198-F200 PolarHBondContact O-N 3.49Å; F200-N202 VanDerWaalsContact C-N 3.34Å; F200-N202 PolarHBondContact O-N 3.34Å; F200-Y203 PolarHBondContact O-N 2.89Å; F200-I204 HydrophobicContact CD1-CD1 3.73Å; F200-I204 HydrophobicContact CE1-CD1 3.46Å; F200-I204 VanDerWaalsContact CE1-CD1 3.46Å; F200-I204 HydrophobicContact CE1-CG1 4.48Å; F200-I204 HydrophobicContact CG-CD1 4.49Å; F200-I204 HydrophobicContact CZ-CD1 4Å; F200-I204 WeakPolarHBondContact O-CG1 3.47Å; F200-I204 PolarHBondContact O-N 2.9Å; F200-V241 HydrophobicContact CE2-CG1 3.86Å; F200-V241 HydrophobicContact CZ-CG1 3.56Å; F200-F244 HydrophobicContact CD2-CD1 4.14Å; F200-F244 HydrophobicContact CD2-CE1 4.36Å; F200-F244 HydrophobicContact CE2-CD1 4.14Å
201V91.9Very high84.3Confident61 Ų6131.7 Ų31.737%0.3717%0.169SC..Hα-helixtrans-59.2-45.6169.4-179.70000110.9V196 S197 L198 Y203 I204 S205V196-V201 HydrophobicContact CB-CG2 4.48Å; V196-V201 HydrophobicContact CG1-CG2 3.87Å; S197-V201 PolarHBondContact O-N 3.11Å; S197-V201 VanDerWaalsContact O-N 3.14Å; L198-V201 PolarHBondContact O-N 2.79Å; V201-Y203 PolarHBondContact O-N 3.28Å; V201-I204 PolarHBondContact O-N 3.28Å; V201-S205 WeakPolarHBondContact O-CB 3.32Å; V201-S205 PolarHBondContact O-N 3.01Å
202N94.7Very high86Confident0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-59.3-44.6176.3-170.476.7000111.3L24 L28 H123 A127 L198 P199 F200 S205 A206L24-N202 HydrophobicContact CD2-CB 4.05Å; L24-N202 VanDerWaalsContact CD2-OD1 3.32Å; L24-N202 WeakPolarHBondContact CD2-OD1 3.46Å; L28-N202 HydrophobicContact CD1-CB 3.99Å; H123-N202 PolarHBondContact NE2-ND2 3.42Å; H123-N202 PolarHBondContact NE2-OD1 3.49Å; A127-N202 WeakPolarHBondContact CB-ND2 3.37Å; L198-N202 WeakPolarHBondContact O-CB 3.39Å; L198-N202 PolarHBondContact O-N 3.39Å; P199-N202 WeakPolarHBondContact O-CB 3.45Å; P199-N202 PolarHBondContact O-N 3.32Å; F200-N202 VanDerWaalsContact C-N 3.34Å; F200-N202 PolarHBondContact O-N 3.34Å; N202-S205 PolarHBondContact O-N 3.2Å; N202-S205 PolarHBondContact O-OG 3.48Å; N202-A206 PolarHBondContact O-N 2.87Å
203Y95.6Very high87.5Confident6 Ų632 Ų322%0.02417%0.174CC..Hα-helixtrans-62.5-47.1176.1-179.2-110.7000114L124 A127 T128 L131 P199 F200 V201 S205 A206 L207 V241L124-Y203 HydrophobicContact CD1-CD2 3.82Å; L124-Y203 HydrophobicContact CD1-CE2 3.63Å; A127-Y203 HydrophobicContact CB-CD2 4.25Å; T128-Y203 WeakPolarHBondContact OG1-CE2 3.4Å; L131-Y203 HydrophobicContact CD2-CD1 3.6Å; L131-Y203 HydrophobicContact CD2-CD2 4.14Å; L131-Y203 HydrophobicContact CD2-CE1 4.12Å; L131-Y203 HydrophobicContact CD2-CG 3.6Å; P199-Y203 PolarHBondContact O-N 3.5Å; F200-Y203 PolarHBondContact O-N 2.89Å; V201-Y203 PolarHBondContact O-N 3.28Å; Y203-S205 VanDerWaalsContact C-N 3.29Å; Y203-S205 PolarHBondContact O-N 3.03Å; Y203-A206 PolarHBondContact O-N 3.26Å; Y203-L207 HydrophobicContact CD1-CD1 3.93Å; Y203-L207 HydrophobicContact CE1-CD1 3.54Å; Y203-L207 HydrophobicContact CE1-CG 4.48Å; Y203-L207 HydrophobicContact CE2-CD1 4.44Å; Y203-L207 PolarHBondContact O-N 2.98Å; Y203-L207 VanDerWaalsContact O-N 3.07Å; Y203-V241 HydrophobicContact CD1-CG2 4.46Å; Y203-V241 HydrophobicContact CE1-CG2 4.28Å
204I95Very high89.2Confident62 Ų6229.3 Ų29.332%0.31816%0.158SC..Hα-helixtrans-58.6-43.9175.2-71.6171.3000110.4F200 V201 A206 L207 V208 V241F200-I204 HydrophobicContact CD1-CD1 3.73Å; F200-I204 HydrophobicContact CE1-CD1 3.46Å; F200-I204 VanDerWaalsContact CE1-CD1 3.46Å; F200-I204 HydrophobicContact CE1-CG1 4.48Å; F200-I204 HydrophobicContact CG-CD1 4.49Å; F200-I204 HydrophobicContact CZ-CD1 4Å; F200-I204 WeakPolarHBondContact O-CG1 3.47Å; F200-I204 PolarHBondContact O-N 2.9Å; V201-I204 PolarHBondContact O-N 3.28Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 2.98Å; I204-L207 PolarHBondContact O-N 3.45Å; I204-V208 HydrophobicContact CG2-CG2 4.37Å; I204-V208 WeakPolarHBondContact O-CG2 3.43Å; I204-V208 PolarHBondContact O-N 3.4Å; I204-V241 HydrophobicContact CD1-CG2 4.5Å; I204-V241 HydrophobicContact CG1-CG2 3.88Å
205S94.8Very high90.9Very high28 Ų2820 Ų2020%0.19612%0.117CC..Hα-helixtrans-64.7-35.7-179.779.40000113.2F21 V201 N202 Y203 A209F21-S205 WeakPolarHBondContact CE1-OG 3.45Å; F21-S205 WeakPolarHBondContact CZ-OG 3.37Å; V201-S205 WeakPolarHBondContact O-CB 3.32Å; V201-S205 PolarHBondContact O-N 3.01Å; N202-S205 PolarHBondContact O-N 3.2Å; N202-S205 PolarHBondContact O-OG 3.48Å; Y203-S205 VanDerWaalsContact C-N 3.29Å; Y203-S205 PolarHBondContact O-N 3.03Å; S205-A209 VanDerWaalsContact O-CB 3.32Å; S205-A209 WeakPolarHBondContact O-CB 3.41Å; S205-A209 PolarHBondContact O-N 3.44Å
206A96.6Very high92.3Very high0 Ų021.1 Ų21.10%013%0.125CC..Hα-helixtrans-66.2-43.3174.400000111.5L124 A127 N202 Y203 I204 A209 F210L124-A206 HydrophobicContact CB-CB 4.13Å; L124-A206 HydrophobicContact CD1-CB 3.96Å; A127-A206 HydrophobicContact CB-CB 4.3Å; N202-A206 PolarHBondContact O-N 2.87Å; Y203-A206 PolarHBondContact O-N 3.26Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 2.98Å; A206-A209 PolarHBondContact O-N 3.01Å; A206-F210 WeakPolarHBondContact O-CB 3.45Å; A206-F210 PolarHBondContact O-N 2.97Å
207L96.5Very high93.2Very high5 Ų520 Ų203%0.02612%0.118CC..Hα-helixtrans-62.1-44.2175.2-72.2170.7000112.4L124 Y203 I204 F210 A211 A237 A240 V241L124-L207 HydrophobicContact CD1-CD2 3.64Å; L124-L207 HydrophobicContact CD1-CG 3.74Å; L124-L207 HydrophobicContact CD2-CD2 3.99Å; L124-L207 HydrophobicContact CG-CD2 4.49Å; Y203-L207 HydrophobicContact CD1-CD1 3.93Å; Y203-L207 HydrophobicContact CE1-CD1 3.54Å; Y203-L207 HydrophobicContact CE1-CG 4.48Å; Y203-L207 HydrophobicContact CE2-CD1 4.44Å; Y203-L207 PolarHBondContact O-N 2.98Å; Y203-L207 VanDerWaalsContact O-N 3.07Å; I204-L207 PolarHBondContact O-N 3.45Å; L207-F210 PolarHBondContact O-N 2.87Å; L207-A211 WeakPolarHBondContact O-CB 3.48Å; L207-A211 PolarHBondContact O-N 3.42Å; L207-A237 HydrophobicContact CB-CB 3.82Å; L207-A237 HydrophobicContact CD1-CB 4.36Å; L207-A237 HydrophobicContact CG-CB 4.49Å; L207-A240 HydrophobicContact CD1-CB 4.05Å; L207-A240 HydrophobicContact CD2-CB 4.16Å; L207-V241 HydrophobicContact CD1-CG2 4.02Å
208V95.8Very high93.5Very high56 Ų5619.9 Ų19.934%0.33912%0.117SC..Hα-helixtrans-64.8-44.5177.21710000111.1I204 F210 A211 I212I204-V208 HydrophobicContact CG2-CG2 4.37Å; I204-V208 WeakPolarHBondContact O-CG2 3.43Å; I204-V208 PolarHBondContact O-N 3.4Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-F210 PolarHBondContact O-N 3.5Å; V208-A211 PolarHBondContact O-N 3.37Å; V208-I212 HydrophobicContact CG1-CD1 3.89Å; V208-I212 WeakPolarHBondContact O-CG1 3.46Å; V208-I212 PolarHBondContact O-N 3.46Å; V208-I212 VanDerWaalsContact O-N 3.09Å
209A95.2Very high93.5Very high18 Ų1824.3 Ų24.315%0.14913%0.133CC..Hα-helixtrans-60.7-41176.100000112.1Y17 Q120 S205 A206 I212 A213Y17-A209 HydrophobicContact CE2-CB 3.48Å; Y17-A209 VanDerWaalsContact CE2-CB 3.48Å; Y17-A209 WeakPolarHBondContact OH-CB 3.48Å; Q120-A209 HydrophobicContact CG-CB 4.05Å; S205-A209 VanDerWaalsContact O-CB 3.32Å; S205-A209 WeakPolarHBondContact O-CB 3.41Å; S205-A209 PolarHBondContact O-N 3.44Å; A206-A209 PolarHBondContact O-N 3.01Å; A209-I212 PolarHBondContact O-N 2.89Å; A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.37Å; A209-A213 PolarHBondContact O-N 3.04Å
210F95.6Very high93.1Very high2 Ų227.5 Ų27.51%0.00914%0.144CC..Hα-helixtrans-62.1-45174.3-176.5-85.8000112.2L116 P117 Q120 A206 L207 V208 I212 A213 Y214 L233 L287L116-F210 HydrophobicContact CB-CE2 4.41Å; L116-F210 HydrophobicContact CD2-CE2 4.1Å; L116-F210 HydrophobicContact CD2-CZ 3.82Å; P117-F210 HydrophobicContact CG-CD2 3.67Å; P117-F210 HydrophobicContact CG-CE2 3.75Å; P117-F210 HydrophobicContact CG-CG 4.48Å; Q120-F210 HydrophobicContact CB-CB 4.35Å; Q120-F210 HydrophobicContact CB-CD2 4.45Å; A206-F210 WeakPolarHBondContact O-CB 3.45Å; A206-F210 PolarHBondContact O-N 2.97Å; L207-F210 PolarHBondContact O-N 2.87Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-F210 PolarHBondContact O-N 3.5Å; F210-I212 VanDerWaalsContact C-N 3.25Å; F210-I212 PolarHBondContact O-N 2.92Å; F210-A213 PolarHBondContact O-N 3.23Å; F210-Y214 HydrophobicContact CE1-CD1 4.19Å; F210-Y214 AromaticContact CZ-CD1 3.89Å; F210-Y214 HydrophobicContact CZ-CD1 3.89Å; F210-Y214 HydrophobicContact CZ-CE1 4.41Å; F210-Y214 PolarHBondContact O-N 2.96Å; F210-Y214 VanDerWaalsContact O-N 3.13Å; F210-L233 HydrophobicContact CD1-CD1 4.21Å; F210-L233 HydrophobicContact CE1-CD1 4.06Å; F210-L233 HydrophobicContact CE1-CD2 4.17Å; F210-L287 HydrophobicContact CE1-CD2 4.31Å; F210-L287 HydrophobicContact CE2-CD2 3.95Å; F210-L287 HydrophobicContact CZ-CD2 3.8Å
211A95.3Very high92.7Very high0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-66.7-21.4179.300000114.5L207 V208 P215 S230 L233 M234L207-A211 WeakPolarHBondContact O-CB 3.48Å; L207-A211 PolarHBondContact O-N 3.42Å; V208-A211 PolarHBondContact O-N 3.37Å; A211-P215 WeakPolarHBondContact O-CD 3.49Å; A211-P215 WeakPolarHBondContact O-CG 3.36Å; A211-S230 PolarHBondContact O-OG 3.25Å; A211-L233 HydrophobicContact CB-CB 3.65Å; A211-M234 HydrophobicContact CB-CE 4.42Å
212I93.6Very high92.6Very high106 Ų10626 Ų2654%0.54413%0.133SC..Hα-helixtrans-88.6-47.5172.6-65.3166.5000110.9V208 A209 F210 S216V208-I212 HydrophobicContact CG1-CD1 3.89Å; V208-I212 WeakPolarHBondContact O-CG1 3.46Å; V208-I212 PolarHBondContact O-N 3.46Å; V208-I212 VanDerWaalsContact O-N 3.09Å; A209-I212 PolarHBondContact O-N 2.89Å; F210-I212 VanDerWaalsContact C-N 3.25Å; F210-I212 PolarHBondContact O-N 2.92Å; I212-S216 WeakPolarHBondContact O-CB 3.38Å
213A93Very high92.4Very high13 Ų1334.3 Ų34.311%0.10717%0.165CC..Hα-helixtrans-65.2-52.8-173.200000112.5P117 Q120 A209 F210 S216P117-A213 HydrophobicContact CB-CB 4.24Å; P117-A213 HydrophobicContact CG-CB 4.45Å; Q120-A213 HydrophobicContact CG-CB 4.03Å; A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.37Å; A209-A213 PolarHBondContact O-N 3.04Å; F210-A213 PolarHBondContact O-N 3.23Å; A213-S216 WeakPolarHBondContact O-CB 3.48Å; A213-S216 PolarHBondContact O-N 2.96Å; A213-S216 PolarHBondContact O-OG 3.07Å
214Y94.3Very high92.2Very high1 Ų136.2 Ų36.20%0.00418%0.182CC..Hα-helixtrans-64.1-39.9-169.4-156.2-168.5000114.3A83 G115 L116 P117 F210 F229 L233 Y294A83-Y214 HydrophobicContact CB-CD2 3.78Å; A83-Y214 HydrophobicContact CB-CE2 4.34Å; G115-Y214 VanDerWaalsContact O-CE2 3.3Å; G115-Y214 WeakPolarHBondContact O-CE2 3.25Å; L116-Y214 HydrophobicContact CD2-CE1 3.86Å; P117-Y214 HydrophobicContact CG-CG 4.29Å; F210-Y214 HydrophobicContact CE1-CD1 4.19Å; F210-Y214 AromaticContact CZ-CD1 3.89Å; F210-Y214 HydrophobicContact CZ-CD1 3.89Å; F210-Y214 HydrophobicContact CZ-CE1 4.41Å; F210-Y214 PolarHBondContact O-N 2.96Å; F210-Y214 VanDerWaalsContact O-N 3.13Å; Y214-F229 HydrophobicContact CD1-CE1 4.32Å; Y214-F229 AromaticContact CD1-CZ 3.63Å; Y214-F229 HydrophobicContact CD1-CZ 3.63Å; Y214-F229 AromaticContact CE1-CZ 4Å; Y214-F229 HydrophobicContact CE1-CZ 4Å; Y214-F229 HydrophobicContact CG-CE1 4.21Å; Y214-F229 AromaticContact CG-CZ 3.97Å; Y214-F229 HydrophobicContact CG-CZ 3.97Å; Y214-L233 HydrophobicContact CD1-CD1 4.34Å; Y214-Y294 AromaticContact CD2-CD2 3.63Å; Y214-Y294 HydrophobicContact CD2-CD2 3.63Å; Y214-Y294 HydrophobicContact CD2-CE2 4.12Å; Y214-Y294 AromaticContact CE2-CD2 3.13Å; Y214-Y294 HydrophobicContact CE2-CD2 3.13Å; Y214-Y294 AromaticContact CE2-CE2 3.7Å; Y214-Y294 HydrophobicContact CE2-CE2 3.7Å; Y214-Y294 AromaticContact CE2-CG 3.67Å; Y214-Y294 HydrophobicContact CE2-CG 3.67Å; Y214-Y294 AromaticContact CZ-CD2 3.71Å; Y214-Y294 AromaticContact CZ-CG 3.76Å; Y214-Y294 WeakPolarHBondContact OH-CB 3.36Å
215P93.8Very high92Very high2 Ų233.4 Ų33.41%0.01317%0.168CC..Hα-helixtrans-76.9-21.8177.3-17.333.9000114.2A211 V217 F218 S226 F229 L233A211-P215 WeakPolarHBondContact O-CD 3.49Å; A211-P215 WeakPolarHBondContact O-CG 3.36Å; P215-V217 PolarHBondContact O-N 2.82Å; P215-V217 VanDerWaalsContact O-N 3.13Å; P215-F218 PolarHBondContact O-N 3.39Å; P215-S226 WeakPolarHBondContact CB-O 3.36Å; P215-S226 PolarHBondContact O-OG 2.93Å; P215-F229 HydrophobicContact CB-CB 4.17Å; P215-F229 HydrophobicContact CB-CD1 3.66Å; P215-F229 HydrophobicContact CB-CE1 4.32Å; P215-F229 HydrophobicContact CB-CG 4.07Å; P215-F229 HydrophobicContact CG-CB 4.41Å; P215-F229 HydrophobicContact CG-CD1 3.83Å; P215-F229 HydrophobicContact CG-CE1 4.22Å; P215-F229 HydrophobicContact CG-CG 4.02Å; P215-L233 HydrophobicContact CG-CD1 3.7Å; P215-L233 HydrophobicContact CG-CG 4.48Å
216S91.2Very high91.9Very high29 Ų2932.2 Ų32.220%0.20316%0.16CC..Hα-helixtrans-58.2-29.1-175.475.70000113.1I212 A213 F218 W219I212-S216 WeakPolarHBondContact O-CB 3.38Å; A213-S216 WeakPolarHBondContact O-CB 3.48Å; A213-S216 PolarHBondContact O-N 2.96Å; A213-S216 PolarHBondContact O-OG 3.07Å; S216-F218 PolarHBondContact O-N 3.25Å; S216-W219 WeakPolarHBondContact O-CB 3.33Å; S216-W219 PolarHBondContact O-N 3.41Å
217V90.3Very high91.8Very high0 Ų038.4 Ų38.40%019%0.187CC..THydrogen-bonded Turntrans-50.8-36173.9176.20000113L82 A83 R88 I89 P215 Y294L82-V217 HydrophobicContact CD2-CG1 3.62Å; L82-V217 HydrophobicContact CG-CG1 4.1Å; A83-V217 VanDerWaalsContact CA-CG2 3.42Å; A83-V217 HydrophobicContact CB-CG2 3.65Å; R88-V217 WeakPolarHBondContact CA-O 3.29Å; I89-V217 HydrophobicContact CD1-CG1 3.7Å; I89-V217 HydrophobicContact CG1-CG1 3.5Å; I89-V217 PolarHBondContact N-O 3.16Å; P215-V217 PolarHBondContact O-N 2.82Å; P215-V217 VanDerWaalsContact O-N 3.13Å; V217-Y294 HydrophobicContact CB-CE2 4.32Å; V217-Y294 HydrophobicContact CG1-CE2 3.94Å; V217-Y294 HydrophobicContact CG2-CE2 4.5Å
218F90Very high91.7Very high0 Ų041.2 Ų41.20%020%0.201CC..THydrogen-bonded Turntrans-91.1-7.9179.4-65.9-79.6000113.7I89 P215 S216 R220 A221 N222 F225 F229 Y294 G297 F391I89-F218 HydrophobicContact CD1-CD1 3.63Å; I89-F218 HydrophobicContact CD1-CE1 3.3Å; I89-F218 HydrophobicContact CD1-CG 4.39Å; I89-F218 HydrophobicContact CD1-CZ 3.83Å; P215-F218 PolarHBondContact O-N 3.39Å; S216-F218 PolarHBondContact O-N 3.25Å; F218-R220 PolarHBondContact O-N 3.2Å; F218-A221 PolarHBondContact O-N 2.74Å; F218-N222 CarbonylContact O-C 3.42Å; F218-N222 PolarHBondContact O-N 2.66Å; F218-F225 HydrophobicContact CB-CD1 4.13Å; F218-F225 HydrophobicContact CD1-CD1 4.09Å; F218-F225 HydrophobicContact CD1-CE1 4.22Å; F218-F225 HydrophobicContact CD2-CD1 4.13Å; F218-F225 AromaticContact CD2-CE1 3.89Å; F218-F225 HydrophobicContact CD2-CE1 3.89Å; F218-F225 HydrophobicContact CE1-CE1 4.29Å; F218-F225 AromaticContact CE2-CE1 3.96Å; F218-F225 HydrophobicContact CE2-CE1 3.96Å; F218-F225 AromaticContact CG-CD1 3.85Å; F218-F225 HydrophobicContact CG-CD1 3.85Å; F218-F225 HydrophobicContact CG-CE1 4.02Å; F218-F225 HydrophobicContact CZ-CE1 4.17Å; F218-F229 HydrophobicContact CD2-CD1 4.31Å; F218-F229 HydrophobicContact CE2-CD1 4.45Å; F218-F229 HydrophobicContact CE2-CE1 4.36Å; F218-Y294 AromaticContact CE2-CD2 3.55Å; F218-Y294 HydrophobicContact CE2-CD2 3.55Å; F218-Y294 AromaticContact CE2-CE2 3.7Å; F218-Y294 HydrophobicContact CE2-CE2 3.7Å; F218-Y294 HydrophobicContact CE2-CG 4.13Å; F218-Y294 HydrophobicContact CZ-CD2 4.08Å; F218-Y294 HydrophobicContact CZ-CE1 4.46Å; F218-Y294 HydrophobicContact CZ-CE2 4.04Å; F218-Y294 HydrophobicContact CZ-CG 4.34Å; F218-G297 VanDerWaalsContact CE1-C 3.41Å; F218-F391 HydrophobicContact CD1-CE1 4.08Å
219W87.6Confident91.6Very high113 Ų11338.6 Ų38.643%0.42819%0.185SC..THydrogen-bonded Turntrans-59.4-40.4-167.1-174.5-106.1000114.4S216 R223S216-W219 WeakPolarHBondContact O-CB 3.33Å; S216-W219 PolarHBondContact O-N 3.41Å; W219-R223 HydrophobicContact CD2-CG 4.41Å; W219-R223 VanDerWaalsContact O-CG 3.28Å; W219-R223 WeakPolarHBondContact O-CG 3.28Å
220R83.9Confident91.7Very high75 Ų7539.4 Ų39.428%0.28319%0.19SC..THydrogen-bonded Turntrans-74.5-28.5173.7-88.3-176.9164.3144.2-14.2113.1R88 A90 E91 F218R88-R220 HydrophobicContact CB-CB 4.43Å; A90-R220 HydrophobicContact CB-CB 4.37Å; E91-R220 IonicContact OE1-CZ 2.84Å; E91-R220 IonicContact OE1-NH1 3.14Å; E91-R220 PolarHBondContact OE1-NH1 2.95Å; E91-R220 IonicContact OE1-NH2 3.84Å; E91-R220 IonicContact OE2-CZ 2.78Å; E91-R220 IonicContact OE2-NH1 2.82Å; E91-R220 PolarHBondContact OE2-NH1 3.42Å; F218-R220 PolarHBondContact O-N 3.2Å
221A82.2Confident91.6Very high2 Ų241.8 Ų41.82%0.01721%0.206CC..THydrogen-bonded Turntrans-85.2-45.2-17500000113.1A90 F218 F301 F391 N392A90-A221 HydrophobicContact CB-CB 4.13Å; F218-A221 PolarHBondContact O-N 2.74Å; A221-F301 HydrophobicContact CB-CD2 4.02Å; A221-F301 HydrophobicContact CB-CE2 4.03Å; A221-F391 HydrophobicContact CB-CD1 3.9Å; A221-N392 WeakPolarHBondContact CA-O 3.37Å; A221-N392 PolarHBondContact O-N 3.11Å
222N88.9Confident91.6Very high27 Ų2742.3 Ų42.314%0.14421%0.208CC..  trans-154.7106.2170.7-171.4-58000110.7F218 A224 F225 S226 I390 F391F218-N222 CarbonylContact O-C 3.42Å; F218-N222 PolarHBondContact O-N 2.66Å; N222-A224 VanDerWaalsContact C-N 3.34Å; N222-A224 PolarHBondContact O-N 2.82Å; N222-A224 PolarHBondContact OD1-N 3.41Å; N222-F225 HydrophobicContact CB-CB 4.15Å; N222-F225 PolarHBondContact O-N 3.48Å; N222-F225 PolarHBondContact OD1-N 3.42Å; N222-S226 WeakPolarHBondContact O-CB 3.4Å; N222-S226 PolarHBondContact O-N 3.45Å; N222-S226 VanDerWaalsContact O-N 3.1Å; N222-I390 PolarHBondContact ND2-O 3.02Å; N222-F391 HydrophobicContact CB-CD1 3.57Å; N222-F391 HydrophobicContact CB-CE1 3.59Å; N222-F391 HydrophobicContact CB-CG 4.4Å; N222-F391 HydrophobicContact CB-CZ 4.41Å
223R90.4Very high91.7Very high175 Ų17537.4 Ų37.466%0.6618%0.183SC*.Hα-helixtrans-60.3-38.6179.8-66.9-176.4-174.11802113.3W219 S226 F227W219-R223 HydrophobicContact CD2-CG 4.41Å; W219-R223 VanDerWaalsContact O-CG 3.28Å; W219-R223 WeakPolarHBondContact O-CG 3.28Å; R223-S226 PolarHBondContact O-N 2.83Å; R223-F227 VanDerWaalsContact O-CB 3.3Å; R223-F227 WeakPolarHBondContact O-CB 3.26Å; R223-F227 PolarHBondContact O-N 2.89Å
224A91.6Very high91.9Very high47 Ų4740.6 Ų40.639%0.38820%0.197SC..Hα-helixtrans-69.1-39.7-177.300000112.1N222 I228 W389N222-A224 VanDerWaalsContact C-N 3.34Å; N222-A224 PolarHBondContact O-N 2.82Å; N222-A224 PolarHBondContact OD1-N 3.41Å; A224-I228 WeakPolarHBondContact O-CD1 3.23Å; A224-I228 WeakPolarHBondContact O-CG1 3.5Å; A224-I228 PolarHBondContact O-N 3.4Å; A224-I228 VanDerWaalsContact O-N 3.08Å; A224-W389 HydrophobicContact CB-CZ3 4.45Å
225F92Very high91.9Very high2 Ų243.2 Ų43.21%0.00921%0.21CC..Hα-helixtrans-65.3-47.3173.1-177.4-97.4000111.4F218 N222 F227 I228 F229 V293 Y296 G297 L383 W389 F391F218-F225 HydrophobicContact CB-CD1 4.13Å; F218-F225 HydrophobicContact CD1-CD1 4.09Å; F218-F225 HydrophobicContact CD1-CE1 4.22Å; F218-F225 HydrophobicContact CD2-CD1 4.13Å; F218-F225 AromaticContact CD2-CE1 3.89Å; F218-F225 HydrophobicContact CD2-CE1 3.89Å; F218-F225 HydrophobicContact CE1-CE1 4.29Å; F218-F225 AromaticContact CE2-CE1 3.96Å; F218-F225 HydrophobicContact CE2-CE1 3.96Å; F218-F225 AromaticContact CG-CD1 3.85Å; F218-F225 HydrophobicContact CG-CD1 3.85Å; F218-F225 HydrophobicContact CG-CE1 4.02Å; F218-F225 HydrophobicContact CZ-CE1 4.17Å; N222-F225 HydrophobicContact CB-CB 4.15Å; N222-F225 PolarHBondContact O-N 3.48Å; N222-F225 PolarHBondContact OD1-N 3.42Å; F225-F227 VanDerWaalsContact C-N 3.33Å; F225-F227 PolarHBondContact O-N 2.95Å; F225-I228 PolarHBondContact O-N 3.2Å; F225-F229 WeakPolarHBondContact O-CB 3.31Å; F225-F229 PolarHBondContact O-N 3.4Å; F225-V293 HydrophobicContact CZ-CG1 4.45Å; F225-Y296 AromaticContact CE2-CD1 3.78Å; F225-Y296 HydrophobicContact CE2-CD1 3.78Å; F225-Y296 HydrophobicContact CE2-CE1 4.11Å; F225-Y296 HydrophobicContact CZ-CD1 4.24Å; F225-G297 VanDerWaalsContact CZ-CA 3.41Å; F225-L383 HydrophobicContact CE2-CD2 4.36Å; F225-W389 HydrophobicContact CB-CE3 3.87Å; F225-W389 HydrophobicContact CB-CH2 4.41Å; F225-W389 HydrophobicContact CB-CZ3 3.71Å; F225-W389 HydrophobicContact CD2-CD2 4.4Å; F225-W389 HydrophobicContact CD2-CE3 4.31Å; F225-W389 HydrophobicContact CD2-CH2 4.22Å; F225-W389 HydrophobicContact CD2-CZ2 4.32Å; F225-W389 HydrophobicContact CD2-CZ3 4.22Å; F225-W389 HydrophobicContact CG-CZ3 4.49Å; F225-F391 HydrophobicContact CG-CZ 4.4Å
226S92.4Very high92Very high4 Ų443.4 Ų43.43%0.02821%0.211CC..Hα-helixtrans-58-42.4177.2-175.30000112.3P215 N222 R223 S230P215-S226 WeakPolarHBondContact CB-O 3.36Å; P215-S226 PolarHBondContact O-OG 2.93Å; N222-S226 WeakPolarHBondContact O-CB 3.4Å; N222-S226 PolarHBondContact O-N 3.45Å; N222-S226 VanDerWaalsContact O-N 3.1Å; R223-S226 PolarHBondContact O-N 2.83Å; S226-S230 PolarHBondContact O-N 3.15Å
227F94.1Very high92.2Very high130 Ų13042.4 Ų42.457%0.5720%0.204SC*.Hα-helixtrans-63.2-51.2174.9-179.6-101.6000112.6R223 F225 F229 S230 C231R223-F227 VanDerWaalsContact O-CB 3.3Å; R223-F227 WeakPolarHBondContact O-CB 3.26Å; R223-F227 PolarHBondContact O-N 2.89Å; F225-F227 VanDerWaalsContact C-N 3.33Å; F225-F227 PolarHBondContact O-N 2.95Å; F227-F229 VanDerWaalsContact C-N 3.28Å; F227-F229 PolarHBondContact O-N 3.13Å; F227-S230 PolarHBondContact O-N 3.39Å; F227-S230 VanDerWaalsContact O-N 3.11Å; F227-C231 PolarHBondContact O-N 3.05Å; F227-C231 PolarHBondContact O-SG 3.17Å; F227-C231 VanDerWaalsContact O-SG 3.36Å
228I94.4Very high92.4Very high64 Ų6446 Ų4633%0.32823%0.226SC..Hα-helixtrans-59.1-40.7178.4-71.6162.8000111.2A224 F225 C231 H232 L379 W389A224-I228 WeakPolarHBondContact O-CD1 3.23Å; A224-I228 WeakPolarHBondContact O-CG1 3.5Å; A224-I228 PolarHBondContact O-N 3.4Å; A224-I228 VanDerWaalsContact O-N 3.08Å; F225-I228 PolarHBondContact O-N 3.2Å; I228-C231 PolarHBondContact O-N 3.45Å; I228-H232 PolarHBondContact O-N 3.27Å; I228-L379 HydrophobicContact CG2-CD1 3.92Å; I228-W389 HydrophobicContact CD1-CH2 3.95Å
229F95Very high92.7Very high1 Ų146.2 Ų46.20%0.00423%0.228CC..Hα-helixtrans-64.9-42175.9-176.4-155.9000111.7Y214 P215 F218 F225 F227 H232 L233 V293 Y294Y214-F229 HydrophobicContact CD1-CE1 4.32Å; Y214-F229 AromaticContact CD1-CZ 3.63Å; Y214-F229 HydrophobicContact CD1-CZ 3.63Å; Y214-F229 AromaticContact CE1-CZ 4Å; Y214-F229 HydrophobicContact CE1-CZ 4Å; Y214-F229 HydrophobicContact CG-CE1 4.21Å; Y214-F229 AromaticContact CG-CZ 3.97Å; Y214-F229 HydrophobicContact CG-CZ 3.97Å; P215-F229 HydrophobicContact CB-CB 4.17Å; P215-F229 HydrophobicContact CB-CD1 3.66Å; P215-F229 HydrophobicContact CB-CE1 4.32Å; P215-F229 HydrophobicContact CB-CG 4.07Å; P215-F229 HydrophobicContact CG-CB 4.41Å; P215-F229 HydrophobicContact CG-CD1 3.83Å; P215-F229 HydrophobicContact CG-CE1 4.22Å; P215-F229 HydrophobicContact CG-CG 4.02Å; F218-F229 HydrophobicContact CD2-CD1 4.31Å; F218-F229 HydrophobicContact CE2-CD1 4.45Å; F218-F229 HydrophobicContact CE2-CE1 4.36Å; F225-F229 WeakPolarHBondContact O-CB 3.31Å; F225-F229 PolarHBondContact O-N 3.4Å; F227-F229 VanDerWaalsContact C-N 3.28Å; F227-F229 PolarHBondContact O-N 3.13Å; F229-H232 WeakPolarHBondContact O-CB 3.44Å; F229-H232 PolarHBondContact O-N 3.11Å; F229-L233 HydrophobicContact CD2-CD1 4.3Å; F229-L233 HydrophobicContact CD2-CD2 4.37Å; F229-L233 HydrophobicContact CD2-CG 4.05Å; F229-L233 HydrophobicContact CE2-CD1 3.89Å; F229-L233 HydrophobicContact CE2-CD2 3.86Å; F229-L233 HydrophobicContact CE2-CG 3.87Å; F229-L233 HydrophobicContact CZ-CD1 4.14Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 3.22Å; F229-V293 HydrophobicContact CB-CG1 4.43Å; F229-V293 HydrophobicContact CD2-CB 3.93Å; F229-V293 HydrophobicContact CD2-CG1 3.47Å; F229-V293 VanDerWaalsContact CD2-CG1 3.47Å; F229-V293 HydrophobicContact CE2-CB 3.78Å; F229-V293 HydrophobicContact CE2-CG1 3.86Å; F229-V293 HydrophobicContact CG-CG1 4.03Å; F229-Y294 HydrophobicContact CE1-CD2 4.27Å
230S95.8Very high93.1Very high35 Ų3541.2 Ų41.225%0.24521%0.21CC..Hα-helixtrans-64.9-40.9174.7-1670000112.9A211 S226 F227 H232 L233 M234A211-S230 PolarHBondContact O-OG 3.25Å; S226-S230 PolarHBondContact O-N 3.15Å; F227-S230 PolarHBondContact O-N 3.39Å; F227-S230 VanDerWaalsContact O-N 3.11Å; S230-H232 VanDerWaalsContact C-N 3.32Å; S230-H232 PolarHBondContact O-N 3.09Å; S230-L233 PolarHBondContact O-N 3.2Å; S230-L233 VanDerWaalsContact O-N 3.16Å; S230-M234 PolarHBondContact O-N 3.47Å
231C94.9Very high93.6Very high51 Ų5138.3 Ų38.335%0.34520%0.201SC..Hα-helixtrans-59.6-41.7172.6-65.50000112.1F227 I228 M234 I235F227-C231 PolarHBondContact O-N 3.05Å; F227-C231 PolarHBondContact O-SG 3.17Å; F227-C231 VanDerWaalsContact O-SG 3.36Å; I228-C231 PolarHBondContact O-N 3.45Å; C231-M234 PolarHBondContact O-N 3.15Å; C231-I235 WeakPolarHBondContact O-CD1 3.37Å; C231-I235 WeakPolarHBondContact O-CG1 3.43Å; C231-I235 PolarHBondContact O-N 2.91Å
232H94.9Very high94.2Very high12 Ų1239.5 Ų39.56%0.05621%0.206CC..Hα-helixtrans-62-43.3173.5166.854.3000112.2I228 F229 S230 M234 I235 H236 W376 L379I228-H232 PolarHBondContact O-N 3.27Å; F229-H232 WeakPolarHBondContact O-CB 3.44Å; F229-H232 PolarHBondContact O-N 3.11Å; S230-H232 VanDerWaalsContact C-N 3.32Å; S230-H232 PolarHBondContact O-N 3.09Å; H232-M234 VanDerWaalsContact C-N 3.32Å; H232-M234 PolarHBondContact O-N 3.36Å; H232-I235 PolarHBondContact O-N 3.37Å; H232-H236 WeakPolarHBondContact O-CB 3.44Å; H232-H236 PolarHBondContact O-N 3.22Å; H232-W376 AromaticContact CE1-CE3 3.71Å; H232-W376 AromaticContact CE1-CZ3 3.74Å; H232-W376 AromaticContact NE2-CZ3 3.66Å; H232-L379 HydrophobicContact CB-CD2 4.07Å
233L96Very high94.5Very high2 Ų238.6 Ų38.61%0.0120%0.201CC..Hα-helixtrans-68.7-29.4177.3-62.8-172.5000113.2F210 A211 Y214 P215 F229 S230 H236 A237F210-L233 HydrophobicContact CD1-CD1 4.21Å; F210-L233 HydrophobicContact CE1-CD1 4.06Å; F210-L233 HydrophobicContact CE1-CD2 4.17Å; A211-L233 HydrophobicContact CB-CB 3.65Å; Y214-L233 HydrophobicContact CD1-CD1 4.34Å; P215-L233 HydrophobicContact CG-CD1 3.7Å; P215-L233 HydrophobicContact CG-CG 4.48Å; F229-L233 HydrophobicContact CD2-CD1 4.3Å; F229-L233 HydrophobicContact CD2-CD2 4.37Å; F229-L233 HydrophobicContact CD2-CG 4.05Å; F229-L233 HydrophobicContact CE2-CD1 3.89Å; F229-L233 HydrophobicContact CE2-CD2 3.86Å; F229-L233 HydrophobicContact CE2-CG 3.87Å; F229-L233 HydrophobicContact CZ-CD1 4.14Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 3.22Å; S230-L233 PolarHBondContact O-N 3.2Å; S230-L233 VanDerWaalsContact O-N 3.16Å; L233-H236 PolarHBondContact O-N 2.78Å; L233-A237 WeakPolarHBondContact O-CB 3.35Å; L233-A237 PolarHBondContact O-N 3.14Å
234M95.4Very high94.6Very high80 Ų8030.6 Ų30.639%0.39417%0.171SC..Hα-helixtrans-69.1-41.3171.9-167.459.965.700111.6A211 S230 C231 H232 A237 V238A211-M234 HydrophobicContact CB-CE 4.42Å; S230-M234 PolarHBondContact O-N 3.47Å; C231-M234 PolarHBondContact O-N 3.15Å; H232-M234 VanDerWaalsContact C-N 3.32Å; H232-M234 PolarHBondContact O-N 3.36Å; M234-A237 WeakPolarHBondContact O-CB 3.5Å; M234-A237 PolarHBondContact O-N 2.82Å; M234-V238 WeakPolarHBondContact O-CG2 3.35Å; M234-V238 PolarHBondContact O-N 3.04Å
235I95.5Very high94.6Very high56 Ų5628.4 Ų28.429%0.28715%0.153SC..Hα-helixtrans-62.3-44.5172.3-68.5158.8000110.4C231 H232 A237 V238 T239 Y372 M375C231-I235 WeakPolarHBondContact O-CD1 3.37Å; C231-I235 WeakPolarHBondContact O-CG1 3.43Å; C231-I235 PolarHBondContact O-N 2.91Å; H232-I235 PolarHBondContact O-N 3.37Å; I235-A237 VanDerWaalsContact C-N 3.32Å; I235-A237 PolarHBondContact O-N 3.12Å; I235-V238 PolarHBondContact O-N 3.08Å; I235-T239 PolarHBondContact O-N 2.83Å; I235-T239 PolarHBondContact O-OG1 3.27Å; I235-Y372 HydrophobicContact CG2-CD2 4.14Å; I235-M375 HydrophobicContact CD1-CE 3.65Å
236H95.2Very high94.6Very high6 Ų628.5 Ų28.53%0.02815%0.154CC..Hα-helixtrans-57.1-42.8172.6169.5-60.4000111.9H232 L233 T239 A240 M286 Y372H232-H236 WeakPolarHBondContact O-CB 3.44Å; H232-H236 PolarHBondContact O-N 3.22Å; L233-H236 PolarHBondContact O-N 2.78Å; H236-T239 PolarHBondContact O-N 2.99Å; H236-A240 VanDerWaalsContact O-CB 3.26Å; H236-A240 WeakPolarHBondContact O-CB 3.26Å; H236-A240 PolarHBondContact O-N 2.83Å; H236-M286 VanDerWaalsContact NE2-C 3.31Å; H236-M286 PolarHBondContact NE2-O 3.4Å; H236-Y372 HydrophobicContact CB-CE2 4.05Å
237A96.2Very high94.6Very high8 Ų828.6 Ų28.67%0.06615%0.154CC..Hα-helixtrans-61.1-46.7177.100000112L207 L233 M234 I235 A240 V241L207-A237 HydrophobicContact CB-CB 3.82Å; L207-A237 HydrophobicContact CD1-CB 4.36Å; L207-A237 HydrophobicContact CG-CB 4.49Å; L233-A237 WeakPolarHBondContact O-CB 3.35Å; L233-A237 PolarHBondContact O-N 3.14Å; M234-A237 WeakPolarHBondContact O-CB 3.5Å; M234-A237 PolarHBondContact O-N 2.82Å; I235-A237 VanDerWaalsContact C-N 3.32Å; I235-A237 PolarHBondContact O-N 3.12Å; A237-A240 PolarHBondContact O-N 2.65Å; A237-V241 PolarHBondContact O-N 3.31Å; A237-V241 VanDerWaalsContact O-N 3.11Å
238V95.2Very high94.4Very high76 Ų7622.7 Ų22.746%0.46113%0.129SC..Hα-helixtrans-60.1-48.7175.2173.60000110.8M234 I235 A240 V241 F242M234-V238 WeakPolarHBondContact O-CG2 3.35Å; M234-V238 PolarHBondContact O-N 3.04Å; I235-V238 PolarHBondContact O-N 3.08Å; V238-A240 VanDerWaalsContact C-N 3.34Å; V238-A240 PolarHBondContact O-N 3.32Å; V238-V241 WeakPolarHBondContact O-CB 3.31Å; V238-V241 PolarHBondContact O-N 3.35Å; V238-F242 HydrophobicContact CG1-CD2 3.91Å; V238-F242 HydrophobicContact CG1-CE2 3.75Å; V238-F242 VanDerWaalsContact O-CD2 3.31Å; V238-F242 WeakPolarHBondContact O-CD2 3.19Å; V238-F242 PolarHBondContact O-N 2.94Å; V238-F242 VanDerWaalsContact O-N 3.13Å
239T95.3Very high94Very high5 Ų519.8 Ų19.83%0.03111%0.114CC..Hα-helixtrans-61.6-40177-59.30000112.3I235 H236 V241 F242 C243 M286 Y372I235-T239 PolarHBondContact O-N 2.83Å; I235-T239 PolarHBondContact O-OG1 3.27Å; H236-T239 PolarHBondContact O-N 2.99Å; T239-V241 VanDerWaalsContact C-N 3.3Å; T239-V241 PolarHBondContact O-N 3.06Å; T239-F242 PolarHBondContact O-N 3.27Å; T239-C243 PolarHBondContact O-N 2.91Å; T239-C243 PolarHBondContact O-SG 2.62Å; T239-M286 HydrophobicContact CG2-CE 3.94Å; T239-Y372 HydrophobicContact CG2-CD1 4.26Å; T239-Y372 HydrophobicContact CG2-CD2 3.95Å; T239-Y372 HydrophobicContact CG2-CG 3.7Å; T239-Y372 WeakPolarHBondContact OG1-CB 3.3Å; T239-Y372 WeakPolarHBondContact OG1-CD2 3.37Å
240A95.7Very high93.7Very high7 Ų720.3 Ų20.36%0.05812%0.117CC..Hα-helixtrans-63.3-3617900000112.3L207 H236 A237 V238 C243 F244 M286L207-A240 HydrophobicContact CD1-CB 4.05Å; L207-A240 HydrophobicContact CD2-CB 4.16Å; H236-A240 VanDerWaalsContact O-CB 3.26Å; H236-A240 WeakPolarHBondContact O-CB 3.26Å; H236-A240 PolarHBondContact O-N 2.83Å; A237-A240 PolarHBondContact O-N 2.65Å; V238-A240 VanDerWaalsContact C-N 3.34Å; V238-A240 PolarHBondContact O-N 3.32Å; A240-C243 PolarHBondContact O-N 3.37Å; A240-F244 PolarHBondContact O-N 3.04Å; A240-F244 VanDerWaalsContact O-N 3.09Å; A240-M286 HydrophobicContact CB-CE 4.25Å
241V94.8Very high93.2Very high14 Ų1419 Ų199%0.08511%0.107CC..Hα-helixtrans-63-48.2170.5168.40000111.5L158 F200 Y203 I204 L207 A237 V238 T239 C243 F244 V245L158-V241 HydrophobicContact CD1-CG1 4.24Å; L158-V241 HydrophobicContact CD2-CG1 4.1Å; L158-V241 HydrophobicContact CG-CG1 4.45Å; F200-V241 HydrophobicContact CE2-CG1 3.86Å; F200-V241 HydrophobicContact CZ-CG1 3.56Å; Y203-V241 HydrophobicContact CD1-CG2 4.46Å; Y203-V241 HydrophobicContact CE1-CG2 4.28Å; I204-V241 HydrophobicContact CD1-CG2 4.5Å; I204-V241 HydrophobicContact CG1-CG2 3.88Å; L207-V241 HydrophobicContact CD1-CG2 4.02Å; A237-V241 PolarHBondContact O-N 3.31Å; A237-V241 VanDerWaalsContact O-N 3.11Å; V238-V241 WeakPolarHBondContact O-CB 3.31Å; V238-V241 PolarHBondContact O-N 3.35Å; T239-V241 VanDerWaalsContact C-N 3.3Å; T239-V241 PolarHBondContact O-N 3.06Å; V241-C243 VanDerWaalsContact C-N 3.31Å; V241-C243 PolarHBondContact O-N 2.87Å; V241-F244 PolarHBondContact O-N 3.35Å; V241-V245 PolarHBondContact O-N 3.32Å; V241-V245 VanDerWaalsContact O-N 3.08Å
242F94.3Very high92.6Very high28 Ų2817.4 Ų17.412%0.1239%0.093CC..Hα-helixtrans-62.2-35.4174.9-79.1-73.7000112.8L158 V238 T239 F244 V245 A246 S364 A368L158-F242 HydrophobicContact CD1-CD1 3.86Å; L158-F242 HydrophobicContact CD1-CE1 3.64Å; L158-F242 HydrophobicContact CD1-CZ 4.14Å; V238-F242 HydrophobicContact CG1-CD2 3.91Å; V238-F242 HydrophobicContact CG1-CE2 3.75Å; V238-F242 VanDerWaalsContact O-CD2 3.31Å; V238-F242 WeakPolarHBondContact O-CD2 3.19Å; V238-F242 PolarHBondContact O-N 2.94Å; V238-F242 VanDerWaalsContact O-N 3.13Å; T239-F242 PolarHBondContact O-N 3.27Å; F242-F244 VanDerWaalsContact C-N 3.34Å; F242-F244 PolarHBondContact O-N 3.47Å; F242-V245 PolarHBondContact O-N 3.32Å; F242-A246 WeakPolarHBondContact O-CB 3.37Å; F242-A246 PolarHBondContact O-N 3.35Å; F242-S364 WeakPolarHBondContact CE1-OG 3.38Å; F242-A368 HydrophobicContact CB-CB 3.79Å; F242-A368 HydrophobicContact CD1-CB 4.16Å; F242-A368 HydrophobicContact CD2-CB 3.49Å; F242-A368 VanDerWaalsContact CD2-CB 3.49Å; F242-A368 HydrophobicContact CE2-CB 4.08Å; F242-A368 HydrophobicContact CG-CB 3.55Å
243C94.5Very high92Very high7 Ų717 Ų175%0.0479%0.092CC..Hα-helixtrans-63.2-38.3174.9-63.80000112.2T239 A240 V241 Y247 K343 E369T239-C243 PolarHBondContact O-N 2.91Å; T239-C243 PolarHBondContact O-SG 2.62Å; A240-C243 PolarHBondContact O-N 3.37Å; V241-C243 VanDerWaalsContact C-N 3.31Å; V241-C243 PolarHBondContact O-N 2.87Å; C243-Y247 WeakPolarHBondContact O-CB 3.42Å; C243-Y247 PolarHBondContact O-N 3.46Å; C243-K343 PolarHBondContact SG-NZ 3.16Å; C243-E369 PolarHBondContact SG-OE1 2.89Å; C243-E369 VanDerWaalsContact SG-OE1 3.32Å
244F94.1Very high91.2Very high8 Ų820.9 Ų20.94%0.03511%0.107CC..Hα-helixtrans-67.1-44.4173.8173.3-104000111.7L131 F200 A240 V241 F242 A246 Y247 S248 Y279L131-F244 HydrophobicContact CD1-CD1 4.24Å; L131-F244 HydrophobicContact CD1-CE1 3.67Å; L131-F244 HydrophobicContact CD1-CE2 4.3Å; L131-F244 HydrophobicContact CD1-CZ 3.71Å; L131-F244 HydrophobicContact CD2-CB 4.33Å; L131-F244 HydrophobicContact CD2-CD1 3.69Å; L131-F244 HydrophobicContact CD2-CD2 3.79Å; L131-F244 HydrophobicContact CD2-CE1 3.95Å; L131-F244 HydrophobicContact CD2-CE2 4.06Å; L131-F244 HydrophobicContact CD2-CG 3.6Å; L131-F244 HydrophobicContact CD2-CZ 4.13Å; L131-F244 HydrophobicContact CG-CD1 4.02Å; L131-F244 HydrophobicContact CG-CD2 3.86Å; L131-F244 HydrophobicContact CG-CE1 3.75Å; L131-F244 HydrophobicContact CG-CE2 3.6Å; L131-F244 HydrophobicContact CG-CG 4.08Å; L131-F244 HydrophobicContact CG-CZ 3.53Å; F200-F244 HydrophobicContact CD2-CD1 4.14Å; F200-F244 HydrophobicContact CD2-CE1 4.36Å; F200-F244 HydrophobicContact CE2-CD1 4.14Å; A240-F244 PolarHBondContact O-N 3.04Å; A240-F244 VanDerWaalsContact O-N 3.09Å; V241-F244 PolarHBondContact O-N 3.35Å; F242-F244 VanDerWaalsContact C-N 3.34Å; F242-F244 PolarHBondContact O-N 3.47Å; F244-A246 VanDerWaalsContact C-N 3.33Å; F244-A246 PolarHBondContact O-N 2.96Å; F244-Y247 HydrophobicContact CD2-CD1 4.24Å; F244-Y247 HydrophobicContact CE2-CD1 4.17Å; F244-Y247 WeakPolarHBondContact O-CB 3.22Å; F244-Y247 PolarHBondContact O-N 2.9Å; F244-Y247 VanDerWaalsContact O-N 3.16Å; F244-S248 PolarHBondContact O-N 2.89Å; F244-S248 PolarHBondContact O-OG 3.48Å; F244-Y279 HydrophobicContact CB-CE2 4.16Å; F244-Y279 HydrophobicContact CD2-CE2 4.49Å
245V91.7Very high90.3Very high1 Ų118.6 Ų18.61%0.00610%0.096CC..Hα-helixtrans-63.5-39.4179.1172.60000111.8T156 L158 V241 F242 S248 T249 V361T156-V245 HydrophobicContact CG2-CG1 3.87Å; L158-V245 HydrophobicContact CD1-CB 4.44Å; L158-V245 HydrophobicContact CD1-CG2 3.85Å; L158-V245 HydrophobicContact CG-CG2 3.95Å; V241-V245 PolarHBondContact O-N 3.32Å; V241-V245 VanDerWaalsContact O-N 3.08Å; F242-V245 PolarHBondContact O-N 3.32Å; V245-S248 PolarHBondContact O-OG 3.41Å; V245-S248 VanDerWaalsContact O-OG 3.09Å; V245-T249 VanDerWaalsContact O-CB 3.28Å; V245-T249 WeakPolarHBondContact O-CB 3.34Å; V245-T249 PolarHBondContact O-N 2.85Å; V245-T249 PolarHBondContact O-OG1 2.9Å; V245-V361 HydrophobicContact CG1-CG1 3.96Å
246A91.9Very high89.2Confident4 Ų417.4 Ų17.43%0.0339%0.091CC..Hα-helixtrans-58.5-49.9170.500000111.7F242 F244 T249 L250 L350 C365F242-A246 WeakPolarHBondContact O-CB 3.37Å; F242-A246 PolarHBondContact O-N 3.35Å; F244-A246 VanDerWaalsContact C-N 3.33Å; F244-A246 PolarHBondContact O-N 2.96Å; A246-T249 PolarHBondContact O-N 3.06Å; A246-L250 WeakPolarHBondContact O-CB 3.3Å; A246-L250 WeakPolarHBondContact O-CG 3.45Å; A246-L250 PolarHBondContact O-N 3Å; A246-L350 HydrophobicContact CB-CD1 3.95Å; A246-L350 HydrophobicContact CB-CD2 4.12Å; A246-C365 HydrophobicContact CB-CB 4.28Å
247Y92.2Very high88Confident5 Ų518.4 Ų18.42%0.0210%0.103CC..Hα-helixtrans-56.9-51.6176.5169.1-101.9000112.2C243 F244 T249 L250 R251 E272 L275 L276 Y279C243-Y247 WeakPolarHBondContact O-CB 3.42Å; C243-Y247 PolarHBondContact O-N 3.46Å; F244-Y247 HydrophobicContact CD2-CD1 4.24Å; F244-Y247 HydrophobicContact CE2-CD1 4.17Å; F244-Y247 WeakPolarHBondContact O-CB 3.22Å; F244-Y247 PolarHBondContact O-N 2.9Å; F244-Y247 VanDerWaalsContact O-N 3.16Å; Y247-T249 VanDerWaalsContact C-N 3.31Å; Y247-T249 PolarHBondContact O-N 3.25Å; Y247-L250 PolarHBondContact O-N 2.99Å; Y247-R251 WeakPolarHBondContact O-CB 3.35Å; Y247-R251 PolarHBondContact O-N 3.38Å; Y247-R251 PolarHBondContact OH-NH1 2.96Å; Y247-E272 PolarHBondContact OH-OE1 3.39Å; Y247-L275 HydrophobicContact CD2-CD1 4.3Å; Y247-L275 HydrophobicContact CD2-CD2 4.37Å; Y247-L275 HydrophobicContact CD2-CG 3.83Å; Y247-L275 HydrophobicContact CE2-CD2 4.26Å; Y247-L275 HydrophobicContact CE2-CG 3.81Å; Y247-L276 HydrophobicContact CE2-CB 4.16Å; Y247-L276 HydrophobicContact CE2-CD1 4.41Å; Y247-Y279 HydrophobicContact CD1-CD1 4.34Å; Y247-Y279 HydrophobicContact CD1-CG 4.33Å; Y247-Y279 AromaticContact CD2-CG 3.99Å; Y247-Y279 HydrophobicContact CD2-CG 3.99Å; Y247-Y279 HydrophobicContact CG-CD1 4.26Å; Y247-Y279 HydrophobicContact CG-CD2 4.07Å; Y247-Y279 AromaticContact CG-CG 3.82Å; Y247-Y279 HydrophobicContact CG-CG 3.82Å
248S89.1Confident86.2Confident7 Ų721.3 Ų21.35%0.04911%0.113CC..Hα-helixtrans-64.7-35.4-177.962.70000112.5F244 V245 R252F244-S248 PolarHBondContact O-N 2.89Å; F244-S248 PolarHBondContact O-OG 3.48Å; V245-S248 PolarHBondContact O-OG 3.41Å; V245-S248 VanDerWaalsContact O-OG 3.09Å; S248-R252 WeakPolarHBondContact O-CG 3.47Å; S248-R252 PolarHBondContact O-N 3.4Å
249T86.6Confident84.2Confident2 Ų218.8 Ų18.81%0.01210%0.1CC..Hα-helixtrans-71.1-48.7179.6-53.70000111.2W154 V245 A246 Y247 R251 R252 I253 L362W154-T249 HydrophobicContact CE3-CG2 4.2Å; W154-T249 HydrophobicContact CZ3-CG2 4.02Å; V245-T249 VanDerWaalsContact O-CB 3.28Å; V245-T249 WeakPolarHBondContact O-CB 3.34Å; V245-T249 PolarHBondContact O-N 2.85Å; V245-T249 PolarHBondContact O-OG1 2.9Å; A246-T249 PolarHBondContact O-N 3.06Å; Y247-T249 VanDerWaalsContact C-N 3.31Å; Y247-T249 PolarHBondContact O-N 3.25Å; T249-R251 VanDerWaalsContact C-N 3.32Å; T249-R251 PolarHBondContact O-N 3.1Å; T249-R252 PolarHBondContact O-N 3.29Å; T249-I253 HydrophobicContact CG2-CD1 3.83Å; T249-I253 WeakPolarHBondContact O-CG1 3.38Å; T249-I253 PolarHBondContact O-N 2.78Å; T249-I253 VanDerWaalsContact O-N 3.12Å; T249-L362 HydrophobicContact CG2-CD2 3.97Å
250L88.3Confident82.3Confident13 Ų1324.5 Ų24.57%0.06813%0.13CC..Hα-helixtrans-57.7-45.2173.7-72.6172.5000111.3A246 Y247 R252 I253 Y254 L275 D349 L350 L353A246-L250 WeakPolarHBondContact O-CB 3.3Å; A246-L250 WeakPolarHBondContact O-CG 3.45Å; A246-L250 PolarHBondContact O-N 3Å; Y247-L250 PolarHBondContact O-N 2.99Å; L250-R252 PolarHBondContact O-N 2.88Å; L250-I253 PolarHBondContact O-N 2.73Å; L250-Y254 WeakPolarHBondContact O-CB 3.48Å; L250-Y254 PolarHBondContact O-N 3.1Å; L250-L275 HydrophobicContact CB-CD1 4.26Å; L250-L275 HydrophobicContact CB-CD2 4.06Å; L250-L275 HydrophobicContact CD1-CD1 4.03Å; L250-D349 HydrophobicContact CD2-CB 4.17Å; L250-L350 HydrophobicContact CD1-CD2 4.13Å; L250-L350 HydrophobicContact CD1-CG 4.19Å; L250-L350 HydrophobicContact CD2-CD2 4.17Å; L250-L350 HydrophobicContact CG-CD2 4.02Å; L250-L353 HydrophobicContact CD2-CD2 4.16Å
251R86Confident80.3Confident7 Ų731.4 Ų31.43%0.02616%0.161CC..Hα-helixtrans-60.9-44.7179.9-172.2-164.4164.874.334.9112.3S135 T139 Y247 T249 I255 E272 L275S135-R251 PolarHBondContact O-NE 3.43Å; T139-R251 HydrophobicContact CG2-CB 4.37Å; T139-R251 HydrophobicContact CG2-CG 3.85Å; T139-R251 PolarHBondContact OG1-NE 3.45Å; T139-R251 PolarHBondContact OG1-NH2 3.12Å; Y247-R251 WeakPolarHBondContact O-CB 3.35Å; Y247-R251 PolarHBondContact O-N 3.38Å; Y247-R251 PolarHBondContact OH-NH1 2.96Å; T249-R251 VanDerWaalsContact C-N 3.32Å; T249-R251 PolarHBondContact O-N 3.1Å; R251-I255 HydrophobicContact CG-CD1 4.06Å; R251-I255 WeakPolarHBondContact O-CG1 3.42Å; R251-I255 PolarHBondContact O-N 3.31Å; R251-I255 VanDerWaalsContact O-N 3.1Å; R251-E272 IonicContact CZ-OE1 3.22Å; R251-E272 IonicContact NH1-OE1 2.69Å; R251-E272 PolarHBondContact NH1-OE1 2.92Å; R251-L275 HydrophobicContact CB-CD2 3.97Å
252R82.3Confident78.4Confident18 Ų1832.7 Ų32.77%0.06818%0.178CC..Hα-helixtrans-61.2-47.7175.9-76.5174.8-176.5175.83111.6E138 T139 V153 F155 S248 T249 L250 Y254 I255 T256E138-R252 IonicContact OE2-CZ 3.95Å; E138-R252 IonicContact OE2-NH2 3.72Å; E138-R252 PolarHBondContact OE2-NH2 3.41Å; T139-R252 HydrophobicContact CG2-CB 4.32Å; T139-R252 HydrophobicContact CG2-CG 3.51Å; V153-R252 HydrophobicContact CG1-CB 4.36Å; V153-R252 PolarHBondContact O-NH1 3.23Å; F155-R252 PolarHBondContact O-NH1 3.09Å; S248-R252 WeakPolarHBondContact O-CG 3.47Å; S248-R252 PolarHBondContact O-N 3.4Å; T249-R252 PolarHBondContact O-N 3.29Å; L250-R252 PolarHBondContact O-N 2.88Å; R252-Y254 VanDerWaalsContact C-N 3.34Å; R252-Y254 PolarHBondContact O-N 3.48Å; R252-I255 PolarHBondContact O-N 3.08Å; R252-T256 WeakPolarHBondContact O-CG2 3.27Å; R252-T256 PolarHBondContact O-N 2.98Å; R252-T256 PolarHBondContact O-OG1 3.44Å
253I81.4Confident76.4Confident4 Ų434.5 Ų34.52%0.02120%0.204CC..Hα-helixtrans-69.3-32.3-176.3-68.4167000112.2V153 W154 T249 L250 T256 Y258 L353V153-I253 HydrophobicContact CG1-CG1 3.76Å; W154-I253 HydrophobicContact CE3-CD1 4.45Å; W154-I253 HydrophobicContact CH2-CD1 3.58Å; W154-I253 HydrophobicContact CZ2-CD1 4.33Å; W154-I253 HydrophobicContact CZ3-CD1 3.64Å; T249-I253 HydrophobicContact CG2-CD1 3.83Å; T249-I253 WeakPolarHBondContact O-CG1 3.38Å; T249-I253 PolarHBondContact O-N 2.78Å; T249-I253 VanDerWaalsContact O-N 3.12Å; L250-I253 PolarHBondContact O-N 2.73Å; I253-T256 PolarHBondContact O-OG1 2.87Å; I253-Y258 HydrophobicContact CG2-CD1 4.48Å; I253-L353 HydrophobicContact CD1-CD1 4.1Å; I253-L353 HydrophobicContact CD1-CD2 3.53Å; I253-L353 HydrophobicContact CD1-CG 4.4Å; I253-L353 HydrophobicContact CG2-CD1 4.06Å
254Y80Confident74.5Confident82 Ų8241.7 Ų41.732%0.32223%0.231SC..Hα-helixtrans-65.4-45.4170.5179.4-109.4000111.8L250 R252 G257 Q271 E272L250-Y254 WeakPolarHBondContact O-CB 3.48Å; L250-Y254 PolarHBondContact O-N 3.1Å; R252-Y254 VanDerWaalsContact C-N 3.34Å; R252-Y254 PolarHBondContact O-N 3.48Å; Y254-G257 PolarHBondContact O-N 3.15Å; Y254-Q271 HydrophobicContact CE2-CB 4.21Å; Y254-Q271 HydrophobicContact CE2-CG 3.96Å; Y254-E272 HydrophobicContact CD1-CG 4.27Å; Y254-E272 HydrophobicContact CE1-CB 4.13Å; Y254-E272 HydrophobicContact CE1-CG 4.21Å
255I75.8Confident72.6Confident32 Ų3246.1 Ų46.116%0.16426%0.264CS..Hα-helixtrans-76.5-31.1-175.6-70.8170.7000113.1T139 R143 R251 R252 G257T139-I255 HydrophobicContact CG2-CD1 4.36Å; T139-I255 WeakPolarHBondContact O-CG2 3.11Å; R143-I255 HydrophobicContact CB-CG2 3.81Å; R143-I255 HydrophobicContact CG-CG2 3.85Å; R251-I255 HydrophobicContact CG-CD1 4.06Å; R251-I255 WeakPolarHBondContact O-CG1 3.42Å; R251-I255 PolarHBondContact O-N 3.31Å; R251-I255 VanDerWaalsContact O-N 3.1Å; R252-I255 PolarHBondContact O-N 3.08Å; I255-G257 PolarHBondContact O-N 3Å
256T72.6Confident70.9Confident32 Ų3247.8 Ų47.820%0.19627%0.274CS..THydrogen-bonded Turntrans-71.7-7.7171.854.10000113.7V142 R252 I253 Y258 Q261V142-T256 HydrophobicContact CG1-CG2 3.48Å; V142-T256 VanDerWaalsContact CG1-CG2 3.48Å; R252-T256 WeakPolarHBondContact O-CG2 3.27Å; R252-T256 PolarHBondContact O-N 2.98Å; R252-T256 PolarHBondContact O-OG1 3.44Å; I253-T256 PolarHBondContact O-OG1 2.87Å; T256-Y258 PolarHBondContact O-N 3.4Å; T256-Q261 PolarHBondContact O-NE2 3.4Å
257G69.2Low69.5Low26 Ų2653 Ų5327%0.26831%0.307SS..THydrogen-bonded Turntrans64.724.518000000113.6Y254 I255 A259 D260 Q261Y254-G257 PolarHBondContact O-N 3.15Å; I255-G257 PolarHBondContact O-N 3Å; G257-A259 PolarHBondContact O-N 3.13Å; G257-A259 VanDerWaalsContact O-N 3.15Å; G257-D260 PolarHBondContact O-N 3.39Å; G257-Q261 PolarHBondContact O-N 3.32Å
258Y59.7Low68.5Low69 Ų6954.3 Ų54.327%0.27131%0.313SS..Hα-helixtrans-60.3-29.7-170.1-176.6-119.1000113.7M150 I253 T256 G262 Q357M150-Y258 HydrophobicContact CE-CD2 3.59Å; M150-Y258 HydrophobicContact CE-CE2 3.63Å; M150-Y258 HydrophobicContact CE-CG 4.42Å; M150-Y258 HydrophobicContact SD-CD2 3.99Å; M150-Y258 HydrophobicContact SD-CE2 3.35Å; M150-Y258 WeakPolarHBondContact SD-CE2 3.43Å; I253-Y258 HydrophobicContact CG2-CD1 4.48Å; T256-Y258 PolarHBondContact O-N 3.4Å; Y258-G262 PolarHBondContact O-N 2.96Å; Y258-Q357 HydrophobicContact CE1-CG 4.15Å; Y258-Q357 PolarHBondContact OH-NE2 3.01Å
259A53.2Low67.6Low23 Ų2359.2 Ų59.219%0.1934%0.338CS..Hα-helixtrans-63.1-43.6173.500000112.8G257 Y264 F268G257-A259 PolarHBondContact O-N 3.13Å; G257-A259 VanDerWaalsContact O-N 3.15Å; A259-Y264 CarbonylContact O-C 3.58Å; A259-Y264 VanDerWaalsContact O-O 3.12Å; A259-F268 HydrophobicContact CB-CE2 4.05Å
260D55Low67.1Low126 Ų12659.8 Ų59.867%0.67434%0.341SS*.Hα-helixtrans-71.3-37.3-179-76.8-19.5000111.7G257 G262 G263G257-D260 PolarHBondContact O-N 3.39Å; D260-G262 VanDerWaalsContact C-N 3.28Å; D260-G262 PolarHBondContact O-N 3.03Å; D260-G263 PolarHBondContact O-N 3.38Å
261Q54.5Low66.7Low151 Ų15164.4 Ų64.471%0.70636%0.362SS*.Hα-helixtrans-65.4-29.2178.7-64.1-169.521.700113.3T256 G257 G263T256-Q261 PolarHBondContact O-NE2 3.4Å; G257-Q261 PolarHBondContact O-N 3.32Å; Q261-G263 VanDerWaalsContact C-N 3.29Å; Q261-G263 PolarHBondContact O-N 2.9Å
262G53.4Low66.3Low42 Ų4266.3 Ų66.343%0.43337%0.371SS..THydrogen-bonded Turntrans-78-6.9177.400000114.9Y258 D260 Y264Y258-G262 PolarHBondContact O-N 2.96Å; D260-G262 VanDerWaalsContact C-N 3.28Å; D260-G262 PolarHBondContact O-N 3.03Å; G262-Y264 WeakPolarHBondContact O-CD2 3.41Å; G262-Y264 WeakPolarHBondContact O-CE2 3.34Å; G262-Y264 PolarHBondContact O-N 3.3Å
263G52.8Low66.3Low66 Ų6668.6 Ų68.668%0.6839%0.388SS*.THydrogen-bonded Turntrans70.22.8-169.300000114.1D260 Q261 S265D260-G263 PolarHBondContact O-N 3.38Å; Q261-G263 VanDerWaalsContact C-N 3.29Å; Q261-G263 PolarHBondContact O-N 2.9Å; G263-S265 PolarHBondContact O-N 3.29Å
264Y54.6Low66.7Low157 Ų15775.6 Ų75.662%0.61642%0.416SS*.  trans-97.685.5177.7-62.1-74000109.7A259 G262 T266A259-Y264 CarbonylContact O-C 3.58Å; A259-Y264 VanDerWaalsContact O-O 3.12Å; G262-Y264 WeakPolarHBondContact O-CD2 3.41Å; G262-Y264 WeakPolarHBondContact O-CE2 3.34Å; G262-Y264 PolarHBondContact O-N 3.3Å; Y264-T266 PolarHBondContact O-N 3.22Å; Y264-T266 PolarHBondContact O-OG1 2.87Å
265S54.1Low67.2Low102 Ų10272 Ų7271%0.71340%0.402SS*.  trans-66.173.1172.1-58.30000111.5G263 P267G263-S265 PolarHBondContact O-N 3.29Å; S265-P267 WeakPolarHBondContact O-CD 3.27Å
266T55.4Low68Low35 Ų3570.8 Ų70.822%0.21540%0.396CS..  trans-79.7115.6172.842.50000108Y264 F268 V352Y264-T266 PolarHBondContact O-N 3.22Å; Y264-T266 PolarHBondContact O-OG1 2.87Å; T266-F268 VanDerWaalsContact C-N 3.31Å; T266-F268 PolarHBondContact O-N 3.42Å; T266-V352 HydrophobicContact CG2-CG1 4.37Å
267P63.4Low69Low113 Ų11373.4 Ų73.473%0.73441%0.408SS*.  trans-77.384.9179.731.5-33.6000109.3S265 L269S265-P267 WeakPolarHBondContact O-CD 3.27Å; P267-L269 PolarHBondContact O-N 2.92Å
268F71Confident70.1Confident34 Ų3473.7 Ų73.715%0.14940%0.403CS..  trans-51.8129.2165.5-74.2-58.7000109.2A259 T266 D349 L353A259-F268 HydrophobicContact CB-CE2 4.05Å; T266-F268 VanDerWaalsContact C-N 3.31Å; T266-F268 PolarHBondContact O-N 3.42Å; F268-D349 HydrophobicContact CD1-CB 4.1Å; F268-L353 HydrophobicContact CE1-CB 4.3Å; F268-L353 HydrophobicContact CZ-CD1 4.36Å
269L69.7Low71.8Confident110 Ų11070.8 Ų70.858%0.57639%0.392SS*.SBendtrans-73.3-32.6-173.4-172.861.9000111.2P267 P345 Y348 D349P267-L269 PolarHBondContact O-N 2.92Å; L269-P345 HydrophobicContact CD2-CB 4.14Å; L269-Y348 HydrophobicContact CB-CD1 4.39Å; L269-D349 PolarHBondContact N-OD1 3.41Å; L269-D349 PolarHBondContact N-OD2 3.33Å
270L76.8Confident73.8Confident14 Ų1472.6 Ų72.67%0.07340%0.398CS..  trans-102.587.8-178.8-79.647.4000111.7L275 L278 P345 T346 D349L270-L275 HydrophobicContact CB-CB 4.08Å; L270-L275 HydrophobicContact CB-CD1 4.02Å; L270-L275 HydrophobicContact CD2-CD1 3.75Å; L270-L275 HydrophobicContact CG-CD1 4.48Å; L270-L278 HydrophobicContact CD1-CD2 4.38Å; L270-L278 HydrophobicContact CD2-CB 4.46Å; L270-L278 HydrophobicContact CD2-CD2 3.64Å; L270-L278 HydrophobicContact CG-CD2 4.28Å; L270-P345 HydrophobicContact CD1-CB 3.56Å; L270-P345 HydrophobicContact CD2-CB 4.44Å; L270-T346 HydrophobicContact CD2-CG2 4.07Å; L270-D349 WeakPolarHBondContact CB-OD2 3.42Å; L270-D349 PolarHBondContact N-OD2 3.43Å
271Q79.9Confident75.8Confident110 Ų11069.2 Ų69.251%0.51438%0.384SS..  trans-75.8153.6160.8-61.2-173.2-10.400110.1Y254 Y274 L275Y254-Q271 HydrophobicContact CE2-CB 4.21Å; Y254-Q271 HydrophobicContact CE2-CG 3.96Å; Q271-Y274 WeakPolarHBondContact O-CA 3.44Å; Q271-Y274 VanDerWaalsContact O-CB 3.3Å; Q271-Y274 WeakPolarHBondContact O-CB 3.43Å; Q271-Y274 WeakPolarHBondContact O-CD2 3.41Å; Q271-Y274 PolarHBondContact O-N 2.92Å; Q271-L275 PolarHBondContact O-N 3.43Å
272E76.5Confident77.7Confident46 Ų4662.3 Ų62.322%0.21535%0.352CS..THydrogen-bonded Turntrans-66.7141.1168.8-74.2-76.9-136.700110.2Y247 R251 Y254 L276Y247-E272 PolarHBondContact OH-OE1 3.39Å; R251-E272 IonicContact CZ-OE1 3.22Å; R251-E272 IonicContact NH1-OE1 2.69Å; R251-E272 PolarHBondContact NH1-OE1 2.92Å; Y254-E272 HydrophobicContact CD1-CG 4.27Å; Y254-E272 HydrophobicContact CE1-CB 4.13Å; Y254-E272 HydrophobicContact CE1-CG 4.21Å; E272-L276 WeakPolarHBondContact OE2-CB 3.48Å; E272-L276 PolarHBondContact OE2-N 3.41Å
273P83.4Confident79.6Confident66 Ų6661.5 Ų61.543%0.42934%0.339SS..THydrogen-bonded Turncis-88.22.510.536.8-38000115.1L275 L276 I277P273-L275 VanDerWaalsContact C-N 3.33Å; P273-L275 PolarHBondContact O-N 3.19Å; P273-L276 PolarHBondContact O-N 3.06Å; P273-I277 HydrophobicContact CB-CD1 4.21Å; P273-I277 HydrophobicContact CG-CD1 4.25Å; P273-I277 WeakPolarHBondContact O-CD1 3.32Å; P273-I277 VanDerWaalsContact O-CG1 3.29Å; P273-I277 WeakPolarHBondContact O-CG1 3.31Å; P273-I277 PolarHBondContact O-N 3.15Å
274Y88.8Confident81.6Confident151 Ų15160.8 Ų60.859%0.59233%0.327SS*.Hα-helixtrans-67.9-31.7-172.2-55.4-75.8000112.8Q271 I277 L278Q271-Y274 WeakPolarHBondContact O-CA 3.44Å; Q271-Y274 VanDerWaalsContact O-CB 3.3Å; Q271-Y274 WeakPolarHBondContact O-CB 3.43Å; Q271-Y274 WeakPolarHBondContact O-CD2 3.41Å; Q271-Y274 PolarHBondContact O-N 2.92Å; Y274-I277 PolarHBondContact O-N 3.17Å; Y274-L278 WeakPolarHBondContact O-CB 3.28Å; Y274-L278 PolarHBondContact O-N 2.82Å
275L91.5Very high83.6Confident7 Ų754 Ų544%0.03730%0.301CS..Hα-helixtrans-59.8-50.6174.4-176.561.8000111.4Y247 L250 R251 L270 Q271 P273 L278 Y279Y247-L275 HydrophobicContact CD2-CD1 4.3Å; Y247-L275 HydrophobicContact CD2-CD2 4.37Å; Y247-L275 HydrophobicContact CD2-CG 3.83Å; Y247-L275 HydrophobicContact CE2-CD2 4.26Å; Y247-L275 HydrophobicContact CE2-CG 3.81Å; L250-L275 HydrophobicContact CB-CD1 4.26Å; L250-L275 HydrophobicContact CB-CD2 4.06Å; L250-L275 HydrophobicContact CD1-CD1 4.03Å; R251-L275 HydrophobicContact CB-CD2 3.97Å; L270-L275 HydrophobicContact CB-CB 4.08Å; L270-L275 HydrophobicContact CB-CD1 4.02Å; L270-L275 HydrophobicContact CD2-CD1 3.75Å; L270-L275 HydrophobicContact CG-CD1 4.48Å; Q271-L275 PolarHBondContact O-N 3.43Å; P273-L275 VanDerWaalsContact C-N 3.33Å; P273-L275 PolarHBondContact O-N 3.19Å; L275-L278 PolarHBondContact O-N 3.43Å; L275-Y279 PolarHBondContact O-N 3.2Å
276L92.1Very high85.5Confident7 Ų749.2 Ų49.24%0.03727%0.268CS..Hα-helixtrans-62.5-45.2175.2174.758.5000112.2L56 F60 V132 Y247 E272 P273 L278 Y279 L280L56-L276 HydrophobicContact CD1-CD2 4.02Å; L56-L276 HydrophobicContact CD2-CD2 4.45Å; F60-L276 HydrophobicContact CE2-CD2 4.24Å; F60-L276 HydrophobicContact CZ-CD2 4.37Å; V132-L276 HydrophobicContact CG1-CD1 3.72Å; V132-L276 HydrophobicContact CG2-CD1 4.37Å; Y247-L276 HydrophobicContact CE2-CB 4.16Å; Y247-L276 HydrophobicContact CE2-CD1 4.41Å; E272-L276 WeakPolarHBondContact OE2-CB 3.48Å; E272-L276 PolarHBondContact OE2-N 3.41Å; P273-L276 PolarHBondContact O-N 3.06Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 3.21Å; L276-Y279 PolarHBondContact O-N 2.79Å; L276-L280 HydrophobicContact CD1-CD1 3.92Å; L276-L280 HydrophobicContact CD1-CG 4.03Å; L276-L280 HydrophobicContact CG-CD1 4.1Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 3.44Å
277I93.1Very high87.3Confident86 Ų8648.8 Ų48.844%0.44126%0.264SS..Hα-helixtrans-59.3-43.4179.1-68.5164.9000110.6P273 Y274 L280 C281P273-I277 HydrophobicContact CB-CD1 4.21Å; P273-I277 HydrophobicContact CG-CD1 4.25Å; P273-I277 WeakPolarHBondContact O-CD1 3.32Å; P273-I277 VanDerWaalsContact O-CG1 3.29Å; P273-I277 WeakPolarHBondContact O-CG1 3.31Å; P273-I277 PolarHBondContact O-N 3.15Å; Y274-I277 PolarHBondContact O-N 3.17Å; I277-L280 PolarHBondContact O-N 3.47Å; I277-C281 WeakPolarHBondContact O-CB 3.46Å; I277-C281 PolarHBondContact O-N 3.41Å; I277-C281 PolarHBondContact O-SG 3.24Å
278L94.1Very high88.7Confident33 Ų3348.4 Ų48.417%0.17326%0.255CS..Hα-helixtrans-72.5-33.9-178.3-160.468.1000112.9L270 Y274 L275 L276 T282 C342 P345 T346L270-L278 HydrophobicContact CD1-CD2 4.38Å; L270-L278 HydrophobicContact CD2-CB 4.46Å; L270-L278 HydrophobicContact CD2-CD2 3.64Å; L270-L278 HydrophobicContact CG-CD2 4.28Å; Y274-L278 WeakPolarHBondContact O-CB 3.28Å; Y274-L278 PolarHBondContact O-N 2.82Å; L275-L278 PolarHBondContact O-N 3.43Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 3.21Å; L278-T282 VanDerWaalsContact O-CB 3.28Å; L278-T282 WeakPolarHBondContact O-CB 3.48Å; L278-T282 PolarHBondContact O-N 2.94Å; L278-T282 PolarHBondContact O-OG1 2.99Å; L278-C342 HydrophobicContact CD1-CB 4.44Å; L278-C342 WeakPolarHBondContact CD2-O 3.46Å; L278-C342 WeakPolarHBondContact CG-O 3.4Å; L278-P345 HydrophobicContact CD2-CB 3.71Å; L278-P345 HydrophobicContact CD2-CG 3.9Å; L278-T346 HydrophobicContact CD2-CG2 3.95Å
279Y94.8Very high89.8Confident8 Ų846.8 Ų46.83%0.03125%0.248CC..Hα-helixtrans-61.5-45.2170.6168.5-103.8000111.9T128 V132 F244 Y247 L275 L276 T282 S283T128-Y279 HydrophobicContact CG2-CE1 4.07Å; V132-Y279 HydrophobicContact CG2-CD1 4.26Å; V132-Y279 HydrophobicContact CG2-CE1 3.73Å; F244-Y279 HydrophobicContact CB-CE2 4.16Å; F244-Y279 HydrophobicContact CD2-CE2 4.49Å; Y247-Y279 HydrophobicContact CD1-CD1 4.34Å; Y247-Y279 HydrophobicContact CD1-CG 4.33Å; Y247-Y279 AromaticContact CD2-CG 3.99Å; Y247-Y279 HydrophobicContact CD2-CG 3.99Å; Y247-Y279 HydrophobicContact CG-CD1 4.26Å; Y247-Y279 HydrophobicContact CG-CD2 4.07Å; Y247-Y279 AromaticContact CG-CG 3.82Å; Y247-Y279 HydrophobicContact CG-CG 3.82Å; L275-Y279 PolarHBondContact O-N 3.2Å; L276-Y279 PolarHBondContact O-N 2.79Å; Y279-T282 PolarHBondContact O-N 3.06Å; Y279-S283 WeakPolarHBondContact O-CB 3.41Å; Y279-S283 PolarHBondContact O-N 3.42Å; Y279-S283 PolarHBondContact O-OG 2.74Å
280L95.3Very high90.9Very high60 Ų6041.5 Ų41.531%0.31422%0.221SC..Hα-helixtrans-66.4-43.2177.2-66.7174000111.8F60 T128 L276 I277 S283 A284F60-L280 HydrophobicContact CZ-CD1 4.29Å; T128-L280 HydrophobicContact CG2-CD2 4.45Å; L276-L280 HydrophobicContact CD1-CD1 3.92Å; L276-L280 HydrophobicContact CD1-CG 4.03Å; L276-L280 HydrophobicContact CG-CD1 4.1Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 3.44Å; I277-L280 PolarHBondContact O-N 3.47Å; L280-S283 PolarHBondContact O-N 3.12Å; L280-A284 WeakPolarHBondContact O-CB 3.33Å; L280-A284 PolarHBondContact O-N 3.19Å
281C95.4Very high91.7Very high56 Ų5642.3 Ų42.338%0.37823%0.229SC..Hα-helixtrans-60.3-44.3173.4-75.70000112I277 S283 A284 V285I277-C281 WeakPolarHBondContact O-CB 3.46Å; I277-C281 PolarHBondContact O-N 3.41Å; I277-C281 PolarHBondContact O-SG 3.24Å; C281-S283 VanDerWaalsContact C-N 3.34Å; C281-S283 PolarHBondContact O-N 3.36Å; C281-A284 PolarHBondContact O-N 3.47Å; C281-V285 VanDerWaalsContact O-CG2 3.31Å; C281-V285 WeakPolarHBondContact O-CG2 3.5Å; C281-V285 PolarHBondContact O-N 3.5Å
282T95.2Very high92.4Very high6 Ų637.7 Ų37.74%0.03721%0.209CC..Hα-helixtrans-59.3-46.3176.2-61.90000111L278 Y279 A284 V285 M286 K343L278-T282 VanDerWaalsContact O-CB 3.28Å; L278-T282 WeakPolarHBondContact O-CB 3.48Å; L278-T282 PolarHBondContact O-N 2.94Å; L278-T282 PolarHBondContact O-OG1 2.99Å; Y279-T282 PolarHBondContact O-N 3.06Å; T282-A284 PolarHBondContact O-N 3.08Å; T282-V285 PolarHBondContact O-N 2.87Å; T282-M286 HydrophobicContact CG2-SD 4.12Å; T282-M286 WeakPolarHBondContact O-CB 3.31Å; T282-M286 WeakPolarHBondContact O-CG 3.28Å; T282-M286 PolarHBondContact O-N 3.17Å; T282-K343 HydrophobicContact CG2-CG 4.18Å; T282-K343 VanDerWaalsContact CG2-NZ 3.27Å
283S94.4Very high93.2Very high25 Ų2535.6 Ų35.618%0.17520%0.199CC..Hα-helixtrans-61.3-42.3177.3-58.20000112Y279 L280 C281 L287Y279-S283 WeakPolarHBondContact O-CB 3.41Å; Y279-S283 PolarHBondContact O-N 3.42Å; Y279-S283 PolarHBondContact O-OG 2.74Å; L280-S283 PolarHBondContact O-N 3.12Å; C281-S283 VanDerWaalsContact C-N 3.34Å; C281-S283 PolarHBondContact O-N 3.36Å; S283-L287 PolarHBondContact O-N 2.94Å
284A94.8Very high93.6Very high50 Ų5032.7 Ų32.741%0.41318%0.179SC..Hα-helixtrans-67.1-41.8176.500000112.9L280 C281 T282 L287 L288L280-A284 WeakPolarHBondContact O-CB 3.33Å; L280-A284 PolarHBondContact O-N 3.19Å; C281-A284 PolarHBondContact O-N 3.47Å; T282-A284 PolarHBondContact O-N 3.08Å; A284-L287 PolarHBondContact O-N 3.33Å; A284-L288 WeakPolarHBondContact O-CG 3.14Å; A284-L288 PolarHBondContact O-N 2.9Å
285V95.4Very high93.6Very high14 Ų1427.4 Ų27.49%0.08517%0.165CC..Hα-helixtrans-68.2-38.1177.5175.60000111.2C281 T282 L288 A289 M338 M339C281-V285 VanDerWaalsContact O-CG2 3.31Å; C281-V285 WeakPolarHBondContact O-CG2 3.5Å; C281-V285 PolarHBondContact O-N 3.5Å; T282-V285 PolarHBondContact O-N 2.87Å; V285-L288 PolarHBondContact O-N 3.15Å; V285-A289 PolarHBondContact O-N 3.32Å; V285-M338 HydrophobicContact CG1-CB 3.8Å; V285-M338 HydrophobicContact CG2-CB 4.39Å; V285-M339 HydrophobicContact CG1-CB 4.44Å; V285-M339 HydrophobicContact CG1-CG 3.5Å; V285-M339 VanDerWaalsContact CG1-CG 3.5Å
286M94Very high93.6Very high3 Ų327.1 Ų27.12%0.01516%0.163CC..Hα-helixtrans-62.5-42.1173.2-75.2-17960.500111.6H236 T239 A240 T282 L288 A289 S290 Y372H236-M286 VanDerWaalsContact NE2-C 3.31Å; H236-M286 PolarHBondContact NE2-O 3.4Å; T239-M286 HydrophobicContact CG2-CE 3.94Å; A240-M286 HydrophobicContact CB-CE 4.25Å; T282-M286 HydrophobicContact CG2-SD 4.12Å; T282-M286 WeakPolarHBondContact O-CB 3.31Å; T282-M286 WeakPolarHBondContact O-CG 3.28Å; T282-M286 PolarHBondContact O-N 3.17Å; M286-L288 PolarHBondContact O-N 2.63Å; M286-A289 WeakPolarHBondContact O-CB 3.38Å; M286-A289 PolarHBondContact O-N 3.39Å; M286-S290 PolarHBondContact O-N 2.91Å; M286-Y372 HydrophobicContact CE-CE1 4.29Å; M286-Y372 HydrophobicContact CE-CE2 4.25Å; M286-Y372 HydrophobicContact CG-CE1 4.35Å
287L93.2Very high93.4Very high25 Ų2526.8 Ų26.813%0.13116%0.162CC..Hα-helixtrans-62-42.4172-77.5169.7000112.7L124 F210 S283 A284 A289 S290L124-L287 HydrophobicContact CD2-CD1 4.21Å; L124-L287 HydrophobicContact CD2-CD2 3.79Å; L124-L287 HydrophobicContact CD2-CG 4.44Å; F210-L287 HydrophobicContact CE1-CD2 4.31Å; F210-L287 HydrophobicContact CE2-CD2 3.95Å; F210-L287 HydrophobicContact CZ-CD2 3.8Å; S283-L287 PolarHBondContact O-N 2.94Å; A284-L287 PolarHBondContact O-N 3.33Å; L287-A289 VanDerWaalsContact C-N 3.29Å; L287-A289 PolarHBondContact O-N 3.4Å; L287-S290 WeakPolarHBondContact O-CB 3.46Å; L287-S290 PolarHBondContact O-N 3.49Å; L287-S290 PolarHBondContact O-OG 2.93Å
288L92.7Very high93.1Very high105 Ų10524.5 Ų24.555%0.5515%0.147SC..Hα-helixtrans-62.4-35.5174.8-71.7170.5000112.4A284 V285 M286 S290 A291 V292A284-L288 WeakPolarHBondContact O-CG 3.14Å; A284-L288 PolarHBondContact O-N 2.9Å; V285-L288 PolarHBondContact O-N 3.15Å; M286-L288 PolarHBondContact O-N 2.63Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 3.26Å; L288-A291 WeakPolarHBondContact O-CB 3.38Å; L288-A291 PolarHBondContact O-N 3.3Å; L288-A291 VanDerWaalsContact O-N 3.15Å; L288-V292 PolarHBondContact O-N 3.23Å
289A93.8Very high92.6Very high0 Ų024 Ų240%015%0.146CC..Hα-helixtrans-60-38.8175.900000112V285 M286 L287 A291 V292 V293 M339 W376V285-A289 PolarHBondContact O-N 3.32Å; M286-A289 WeakPolarHBondContact O-CB 3.38Å; M286-A289 PolarHBondContact O-N 3.39Å; L287-A289 VanDerWaalsContact C-N 3.29Å; L287-A289 PolarHBondContact O-N 3.4Å; A289-A291 VanDerWaalsContact C-N 3.29Å; A289-A291 PolarHBondContact O-N 3.44Å; A289-V292 WeakPolarHBondContact O-CB 3.48Å; A289-V292 PolarHBondContact O-N 3.21Å; A289-V292 VanDerWaalsContact O-N 3.12Å; A289-V293 PolarHBondContact O-N 3.49Å; A289-M339 HydrophobicContact CB-CE 4.38Å; A289-M339 HydrophobicContact CB-SD 4.04Å; A289-W376 HydrophobicContact CB-CH2 3.65Å; A289-W376 HydrophobicContact CB-CZ2 4.29Å; A289-W376 HydrophobicContact CB-CZ3 3.8Å; A289-W376 WeakPolarHBondContact O-CH2 3.44Å
290S94.2Very high92Very high0 Ų025.4 Ų25.40%015%0.152CC..Hα-helixtrans-59.1-38.1175.177.30000113.1L116 M286 L287 L288 V292 V293 Y294L116-S290 WeakPolarHBondContact CD2-OG 3.34Å; M286-S290 PolarHBondContact O-N 2.91Å; L287-S290 WeakPolarHBondContact O-CB 3.46Å; L287-S290 PolarHBondContact O-N 3.49Å; L287-S290 PolarHBondContact O-OG 2.93Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 3.26Å; S290-V292 VanDerWaalsContact C-N 3.3Å; S290-V292 PolarHBondContact O-N 3.34Å; S290-V293 PolarHBondContact O-N 2.95Å; S290-Y294 PolarHBondContact O-N 3.35Å; S290-Y294 VanDerWaalsContact O-N 3.14Å
291A92.9Very high91.4Very high30 Ų3023.3 Ų23.325%0.24814%0.141CC..Hα-helixtrans-70.5-25178.800000112.8L116 L288 A289 S295L116-A291 HydrophobicContact CD2-CB 4.32Å; L288-A291 WeakPolarHBondContact O-CB 3.38Å; L288-A291 PolarHBondContact O-N 3.3Å; L288-A291 VanDerWaalsContact O-N 3.15Å; A289-A291 VanDerWaalsContact C-N 3.29Å; A289-A291 PolarHBondContact O-N 3.44Å; A291-S295 WeakPolarHBondContact O-CB 3.49Å; A291-S295 PolarHBondContact O-N 3.25Å
292V93.7Very high90.6Very high13 Ų1321.8 Ų21.88%0.07913%0.131CC..Hα-helixtrans-70.2-38.2172.8-173.30000111.2L288 A289 S290 S295 Y296 A332 T335 W380L288-V292 PolarHBondContact O-N 3.23Å; A289-V292 WeakPolarHBondContact O-CB 3.48Å; A289-V292 PolarHBondContact O-N 3.21Å; A289-V292 VanDerWaalsContact O-N 3.12Å; S290-V292 VanDerWaalsContact C-N 3.3Å; S290-V292 PolarHBondContact O-N 3.34Å; V292-S295 PolarHBondContact O-N 3.38Å; V292-S295 PolarHBondContact O-OG 3.33Å; V292-Y296 PolarHBondContact O-N 3.47Å; V292-Y296 VanDerWaalsContact O-N 3.1Å; V292-A332 HydrophobicContact CG1-CB 4.23Å; V292-T335 HydrophobicContact CG2-CG2 3.78Å; V292-W380 HydrophobicContact CB-CZ2 4.32Å; V292-W380 HydrophobicContact CG1-CH2 3.79Å; V292-W380 HydrophobicContact CG1-CZ2 3.66Å
293V93.5Very high89.5Confident2 Ų222 Ų221%0.01213%0.132CC..Hα-helixtrans-67.7-40.6175.1-174.70000110.7F225 F229 A289 S290 S295 Y296 G297 W376 L379 W380F225-V293 HydrophobicContact CZ-CG1 4.45Å; F229-V293 HydrophobicContact CB-CG1 4.43Å; F229-V293 HydrophobicContact CD2-CB 3.93Å; F229-V293 HydrophobicContact CD2-CG1 3.47Å; F229-V293 VanDerWaalsContact CD2-CG1 3.47Å; F229-V293 HydrophobicContact CE2-CB 3.78Å; F229-V293 HydrophobicContact CE2-CG1 3.86Å; F229-V293 HydrophobicContact CG-CG1 4.03Å; A289-V293 PolarHBondContact O-N 3.49Å; S290-V293 PolarHBondContact O-N 2.95Å; V293-S295 PolarHBondContact O-N 2.92Å; V293-Y296 PolarHBondContact O-N 2.94Å; V293-G297 PolarHBondContact O-N 3.11Å; V293-W376 HydrophobicContact CG2-CH2 4.07Å; V293-W376 HydrophobicContact CG2-CZ3 3.86Å; V293-L379 HydrophobicContact CG2-CD2 4.03Å; V293-W380 HydrophobicContact CG2-CZ2 3.98Å
294Y93Very high88.6Confident5 Ų521.3 Ų21.32%0.0213%0.127CC..Hα-helixtrans-57.7-46.7170.4-176.8-76.7000111.7H114 Y214 V217 F218 F229 S290 Y296 G297 Y298H114-Y294 HydrophobicContact CB-CD1 4.48Å; H114-Y294 HydrophobicContact CB-CE1 3.67Å; H114-Y294 AromaticContact ND1-CE1 3.93Å; H114-Y294 AromaticContact ND1-CZ 3.93Å; H114-Y294 PolarHBondContact ND1-OH 2.73Å; Y214-Y294 AromaticContact CD2-CD2 3.63Å; Y214-Y294 HydrophobicContact CD2-CD2 3.63Å; Y214-Y294 HydrophobicContact CD2-CE2 4.12Å; Y214-Y294 AromaticContact CE2-CD2 3.13Å; Y214-Y294 HydrophobicContact CE2-CD2 3.13Å; Y214-Y294 AromaticContact CE2-CE2 3.7Å; Y214-Y294 HydrophobicContact CE2-CE2 3.7Å; Y214-Y294 AromaticContact CE2-CG 3.67Å; Y214-Y294 HydrophobicContact CE2-CG 3.67Å; Y214-Y294 AromaticContact CZ-CD2 3.71Å; Y214-Y294 AromaticContact CZ-CG 3.76Å; Y214-Y294 WeakPolarHBondContact OH-CB 3.36Å; V217-Y294 HydrophobicContact CB-CE2 4.32Å; V217-Y294 HydrophobicContact CG1-CE2 3.94Å; V217-Y294 HydrophobicContact CG2-CE2 4.5Å; F218-Y294 AromaticContact CE2-CD2 3.55Å; F218-Y294 HydrophobicContact CE2-CD2 3.55Å; F218-Y294 AromaticContact CE2-CE2 3.7Å; F218-Y294 HydrophobicContact CE2-CE2 3.7Å; F218-Y294 HydrophobicContact CE2-CG 4.13Å; F218-Y294 HydrophobicContact CZ-CD2 4.08Å; F218-Y294 HydrophobicContact CZ-CE1 4.46Å; F218-Y294 HydrophobicContact CZ-CE2 4.04Å; F218-Y294 HydrophobicContact CZ-CG 4.34Å; F229-Y294 HydrophobicContact CE1-CD2 4.27Å; S290-Y294 PolarHBondContact O-N 3.35Å; S290-Y294 VanDerWaalsContact O-N 3.14Å; Y294-Y296 VanDerWaalsContact C-N 3.34Å; Y294-Y296 PolarHBondContact O-N 2.86Å; Y294-G297 PolarHBondContact O-N 3.47Å; Y294-G297 VanDerWaalsContact O-N 3.11Å; Y294-Y298 HydrophobicContact CE1-CG 4.29Å; Y294-Y298 PolarHBondContact O-N 3.42Å
295S88.7Confident87.4Confident41 Ų4119.5 Ų19.529%0.28711%0.11SC..Hα-helixtrans-65.6-34.3-175.883.30000113A291 V292 V293 T299A291-S295 WeakPolarHBondContact O-CB 3.49Å; A291-S295 PolarHBondContact O-N 3.25Å; V292-S295 PolarHBondContact O-N 3.38Å; V292-S295 PolarHBondContact O-OG 3.33Å; V293-S295 PolarHBondContact O-N 2.92Å; S295-T299 VanDerWaalsContact O-CB 3.29Å; S295-T299 WeakPolarHBondContact O-CB 3.39Å; S295-T299 PolarHBondContact O-N 3.47Å; S295-T299 PolarHBondContact O-OG1 2.72Å
296Y90.6Very high86.1Confident1 Ų119.5 Ų19.50%0.00411%0.11CC..Hα-helixtrans-58-52.4168.6177-79.1000111.1F225 V292 V293 Y294 Y298 T299 K300 S328 H329 W380 L383 K386 W389F225-Y296 AromaticContact CE2-CD1 3.78Å; F225-Y296 HydrophobicContact CE2-CD1 3.78Å; F225-Y296 HydrophobicContact CE2-CE1 4.11Å; F225-Y296 HydrophobicContact CZ-CD1 4.24Å; V292-Y296 PolarHBondContact O-N 3.47Å; V292-Y296 VanDerWaalsContact O-N 3.1Å; V293-Y296 PolarHBondContact O-N 2.94Å; Y294-Y296 VanDerWaalsContact C-N 3.34Å; Y294-Y296 PolarHBondContact O-N 2.86Å; Y296-Y298 PolarHBondContact O-N 3Å; Y296-T299 PolarHBondContact O-N 2.92Å; Y296-K300 HydrophobicContact CD1-CG 4.24Å; Y296-K300 HydrophobicContact CE1-CG 3.91Å; Y296-K300 WeakPolarHBondContact O-CG 3.45Å; Y296-K300 PolarHBondContact O-N 2.72Å; Y296-S328 WeakPolarHBondContact CD2-OG 3.39Å; Y296-H329 AromaticContact CE2-NE2 3.6Å; Y296-W380 HydrophobicContact CD2-CH2 4.28Å; Y296-W380 AromaticContact CD2-CZ3 3.78Å; Y296-W380 HydrophobicContact CD2-CZ3 3.78Å; Y296-W380 HydrophobicContact CG-CH2 4.43Å; Y296-W380 HydrophobicContact CG-CZ3 4.36Å; Y296-L383 HydrophobicContact CD1-CD1 4.4Å; Y296-L383 HydrophobicContact CD1-CD2 4.42Å; Y296-L383 HydrophobicContact CE1-CB 4.48Å; Y296-L383 HydrophobicContact CE1-CD2 3.89Å; Y296-L383 HydrophobicContact CE2-CB 3.96Å; Y296-L383 HydrophobicContact CG-CD1 4.44Å; Y296-L383 PolarHBondContact OH-O 2.93Å; Y296-K386 PolarHBondContact OH-O 3.46Å; Y296-W389 AromaticContact CE1-NE1 3.77Å; Y296-W389 AromaticContact CZ-NE1 3.92Å; Y296-W389 PolarHBondContact OH-NE1 3.44Å; Y296-W389 VanDerWaalsContact OH-NE1 3.13Å
297G89.3Confident84.8Confident0 Ų023.5 Ų23.50%013%0.129CC..Hα-helixtrans-60.4-45.4-178.600000112.5F218 F225 V293 Y294 K300 F301F218-G297 VanDerWaalsContact CE1-C 3.41Å; F225-G297 VanDerWaalsContact CZ-CA 3.41Å; V293-G297 PolarHBondContact O-N 3.11Å; Y294-G297 PolarHBondContact O-N 3.47Å; Y294-G297 VanDerWaalsContact O-N 3.11Å; G297-K300 PolarHBondContact O-N 3Å; G297-F301 WeakPolarHBondContact O-CB 3.39Å; G297-F301 PolarHBondContact O-N 3.33Å
298Y86.4Confident83.6Confident37 Ų3727.5 Ų27.515%0.14515%0.146CC..Hα-helixtrans-63.9-45.2177.6-178.3-105.6000111.9I89 H114 Y294 Y296 K300 F301 C302I89-Y298 HydrophobicContact CD1-CD2 4.21Å; H114-Y298 AromaticContact CD2-CZ 3.92Å; H114-Y298 AromaticContact CE1-CD2 3.82Å; H114-Y298 AromaticContact CE1-CE2 3.26Å; H114-Y298 WeakPolarHBondContact CE1-CE2 3.27Å; H114-Y298 AromaticContact CE1-CZ 3.58Å; H114-Y298 AromaticContact ND1-CD2 3.95Å; H114-Y298 AromaticContact ND1-CE2 3.85Å; H114-Y298 AromaticContact NE2-CE1 3.97Å; H114-Y298 AromaticContact NE2-CE2 3.55Å; H114-Y298 AromaticContact NE2-CZ 3.32Å; H114-Y298 VanDerWaalsContact NE2-CZ 3.32Å; H114-Y298 PolarHBondContact NE2-OH 3.24Å; Y294-Y298 HydrophobicContact CE1-CG 4.29Å; Y294-Y298 PolarHBondContact O-N 3.42Å; Y296-Y298 PolarHBondContact O-N 3Å; Y298-K300 PolarHBondContact O-N 3.34Å; Y298-F301 WeakPolarHBondContact O-CB 3.48Å; Y298-F301 PolarHBondContact O-N 2.69Å; Y298-C302 PolarHBondContact O-N 2.97Å; Y298-C302 PolarHBondContact O-SG 3.34Å; Y298-C302 VanDerWaalsContact O-SG 3.38Å
299T82.4Confident82.3Confident24 Ų2426.5 Ų26.515%0.14714%0.135CC..Hα-helixtrans-58.9-47.6177.1-57.30000111S295 Y296 F301 C302 L303S295-T299 VanDerWaalsContact O-CB 3.29Å; S295-T299 WeakPolarHBondContact O-CB 3.39Å; S295-T299 PolarHBondContact O-N 3.47Å; S295-T299 PolarHBondContact O-OG1 2.72Å; Y296-T299 PolarHBondContact O-N 2.92Å; T299-F301 PolarHBondContact O-N 3.2Å; T299-C302 PolarHBondContact O-N 2.86Å; T299-L303 HydrophobicContact CG2-CD1 4.21Å; T299-L303 VanDerWaalsContact O-CG 3.29Å; T299-L303 WeakPolarHBondContact O-CG 3.29Å; T299-L303 PolarHBondContact O-N 3.47Å
300K84.1Confident80.5Confident36 Ų3628.3 Ų28.316%0.15715%0.153CC..Hα-helixtrans-65.3-35.8177.5-67.7-76.2-175.91730112.4Y296 G297 Y298 S304 R387 F391Y296-K300 HydrophobicContact CD1-CG 4.24Å; Y296-K300 HydrophobicContact CE1-CG 3.91Å; Y296-K300 WeakPolarHBondContact O-CG 3.45Å; Y296-K300 PolarHBondContact O-N 2.72Å; G297-K300 PolarHBondContact O-N 3Å; Y298-K300 PolarHBondContact O-N 3.34Å; K300-S304 WeakPolarHBondContact O-CB 3.4Å; K300-S304 PolarHBondContact O-N 3.24Å; K300-R387 PolarHBondContact NZ-O 3.1Å; K300-F391 HydrophobicContact CB-CD2 4.47Å; K300-F391 HydrophobicContact CB-CE2 3.66Å; K300-F391 HydrophobicContact CB-CZ 4.43Å
301F82.5Confident78.9Confident16 Ų1632.9 Ų32.97%0.0718%0.175CC..Hα-helixtrans-62.1-46.7172.1175.4-84.6000112.2I89 A221 G297 Y298 T299 L303 S304 T305 F391 V393I89-F301 HydrophobicContact CB-CE1 4.45Å; I89-F301 HydrophobicContact CB-CE2 4.45Å; I89-F301 HydrophobicContact CB-CZ 4.36Å; I89-F301 HydrophobicContact CG2-CD1 3.55Å; I89-F301 HydrophobicContact CG2-CD2 4.32Å; I89-F301 HydrophobicContact CG2-CE1 3.31Å; I89-F301 HydrophobicContact CG2-CE2 4.1Å; I89-F301 HydrophobicContact CG2-CG 4.08Å; I89-F301 HydrophobicContact CG2-CZ 3.61Å; A221-F301 HydrophobicContact CB-CD2 4.02Å; A221-F301 HydrophobicContact CB-CE2 4.03Å; G297-F301 WeakPolarHBondContact O-CB 3.39Å; G297-F301 PolarHBondContact O-N 3.33Å; Y298-F301 WeakPolarHBondContact O-CB 3.48Å; Y298-F301 PolarHBondContact O-N 2.69Å; T299-F301 PolarHBondContact O-N 3.2Å; F301-L303 PolarHBondContact O-N 2.95Å; F301-S304 PolarHBondContact O-N 3.16Å; F301-T305 VanDerWaalsContact CE1-OG1 3.29Å; F301-T305 WeakPolarHBondContact CE1-OG1 3.48Å; F301-T305 PolarHBondContact O-N 3.41Å; F301-T305 PolarHBondContact O-OG1 3.35Å; F301-F391 HydrophobicContact CB-CD1 4.25Å; F301-F391 HydrophobicContact CB-CD2 4.31Å; F301-F391 HydrophobicContact CB-CE1 4.45Å; F301-F391 HydrophobicContact CB-CG 4.17Å; F301-F391 HydrophobicContact CD2-CB 3.83Å; F301-F391 AromaticContact CD2-CD1 3.93Å; F301-F391 HydrophobicContact CD2-CD1 3.93Å; F301-F391 AromaticContact CD2-CG 3.97Å; F301-F391 HydrophobicContact CD2-CG 3.97Å; F301-F391 HydrophobicContact CE2-CB 4.45Å; F301-V393 HydrophobicContact CE2-CG2 3.97Å; F301-V393 HydrophobicContact CZ-CG2 4.01Å
302C77Confident77.3Confident25 Ų2539.4 Ų39.417%0.16919%0.194CC..Hα-helixtrans-60.9-44.3178-70.30000111.7Y298 T299 T305 L306Y298-C302 PolarHBondContact O-N 2.97Å; Y298-C302 PolarHBondContact O-SG 3.34Å; Y298-C302 VanDerWaalsContact O-SG 3.38Å; T299-C302 PolarHBondContact O-N 2.86Å; C302-T305 PolarHBondContact O-N 3.01Å; C302-L306 WeakPolarHBondContact O-CG 3.34Å; C302-L306 PolarHBondContact O-N 3.3Å
303L72.9Confident75.3Confident11 Ų1148.3 Ų48.36%0.05823%0.226CC..Hα-helixtrans-61.1-44.3175-65.2170.9000111.7T299 F301 T305 L306 M307 V318 Y319T299-L303 HydrophobicContact CG2-CD1 4.21Å; T299-L303 VanDerWaalsContact O-CG 3.29Å; T299-L303 WeakPolarHBondContact O-CG 3.29Å; T299-L303 PolarHBondContact O-N 3.47Å; F301-L303 PolarHBondContact O-N 2.95Å; L303-T305 VanDerWaalsContact C-N 3.31Å; L303-T305 PolarHBondContact O-N 3.2Å; L303-L306 PolarHBondContact O-N 3.41Å; L303-M307 WeakPolarHBondContact O-CG 3.46Å; L303-M307 PolarHBondContact O-N 2.82Å; L303-V318 HydrophobicContact CD2-CG1 3.86Å; L303-Y319 HydrophobicContact CD2-CD2 3.89Å; L303-Y319 HydrophobicContact CD2-CE2 3.63Å
304S75.3Confident73.7Confident10 Ų1050.9 Ų50.97%0.0724%0.242CC..Hα-helixtrans-60.7-38.7175.7-160.10000112.5K300 F301 K308K300-S304 WeakPolarHBondContact O-CB 3.4Å; K300-S304 PolarHBondContact O-N 3.24Å; F301-S304 PolarHBondContact O-N 3.16Å; S304-K308 WeakPolarHBondContact O-CG 3.38Å; S304-K308 PolarHBondContact O-N 3.48Å; S304-K308 VanDerWaalsContact O-N 3.15Å
305T70.9Confident72Confident11 Ų1152.1 Ų52.17%0.06725%0.248CC..Hα-helixtrans-69.3-40.2177.1-55.40000112.2F301 C302 L303 K308 R309 V393F301-T305 VanDerWaalsContact CE1-OG1 3.29Å; F301-T305 WeakPolarHBondContact CE1-OG1 3.48Å; F301-T305 PolarHBondContact O-N 3.41Å; F301-T305 PolarHBondContact O-OG1 3.35Å; C302-T305 PolarHBondContact O-N 3.01Å; L303-T305 VanDerWaalsContact C-N 3.31Å; L303-T305 PolarHBondContact O-N 3.2Å; T305-K308 PolarHBondContact O-N 2.98Å; T305-R309 PolarHBondContact O-N 2.89Å; T305-V393 WeakPolarHBondContact OG1-CG2 3.32Å
306L67.4Low70.5Confident15 Ų1557.2 Ų57.28%0.07927%0.267CS..Hα-helixtrans-65.7-42.6176.1-72.9169.4000112C302 L303 K308 R309 G310 V314 V318C302-L306 WeakPolarHBondContact O-CG 3.34Å; C302-L306 PolarHBondContact O-N 3.3Å; L303-L306 PolarHBondContact O-N 3.41Å; L306-K308 PolarHBondContact O-N 3.31Å; L306-R309 PolarHBondContact O-N 3.35Å; L306-G310 PolarHBondContact O-N 2.85Å; L306-V314 HydrophobicContact CD2-CG1 4.23Å; L306-V318 HydrophobicContact CD1-CB 4.21Å; L306-V318 HydrophobicContact CD1-CG1 4.05Å; L306-V318 HydrophobicContact CD1-CG2 3.99Å
307M67.4Low69.1Low86 Ų8664.5 Ų64.542%0.42430%0.299SS..Hα-helixtrans-60-44.5175.1-72.7-170.9-66.500111.8L303 R309 G310L303-M307 WeakPolarHBondContact O-CG 3.46Å; L303-M307 PolarHBondContact O-N 2.82Å; M307-R309 VanDerWaalsContact C-N 3.26Å; M307-R309 PolarHBondContact O-N 3.35Å; M307-G310 PolarHBondContact O-N 3.06Å
308K66.6Low67.6Low109 Ų10965.1 Ų65.147%0.47430%0.303SS..Hα-helixtrans-65-26178.2-75.2176.6175.7-177.30114S304 T305 L306 F391 V393S304-K308 WeakPolarHBondContact O-CG 3.38Å; S304-K308 PolarHBondContact O-N 3.48Å; S304-K308 VanDerWaalsContact O-N 3.15Å; T305-K308 PolarHBondContact O-N 2.98Å; L306-K308 PolarHBondContact O-N 3.31Å; K308-F391 PolarHBondContact NZ-O 3.17Å; K308-V393 HydrophobicContact CD-CG2 4.28Å
309R65Low66.4Low84 Ų8466.8 Ų66.832%0.31731%0.309SS..THydrogen-bonded Turntrans-86.61.8176.8-73.1179.5171.4163.5-1.5114.1T305 L306 M307 Q311 E399T305-R309 PolarHBondContact O-N 2.89Å; L306-R309 PolarHBondContact O-N 3.35Å; M307-R309 VanDerWaalsContact C-N 3.26Å; M307-R309 PolarHBondContact O-N 3.35Å; R309-Q311 HydrophobicContact CB-CG 4.25Å; R309-Q311 PolarHBondContact O-N 3.29Å; R309-Q311 VanDerWaalsContact O-N 3.09Å; R309-E399 IonicContact NH2-OE1 3.06Å; R309-E399 IonicContact NH2-OE2 3.98Å
310G57.2Low65.2Low38 Ų3870.1 Ų70.139%0.39233%0.334SS..THydrogen-bonded Turntrans64.113.2178.100000115L306 M307 Y312L306-G310 PolarHBondContact O-N 2.85Å; M307-G310 PolarHBondContact O-N 3.06Å; G310-Y312 WeakPolarHBondContact O-CD2 3.3Å; G310-Y312 PolarHBondContact O-N 3.29Å
311Q61.3Low64Low96 Ų9671.9 Ų71.945%0.44934%0.344SS..  trans-83.355-173.6-67.1-169.8-12.300112.2R309 R313 V314 Q315R309-Q311 HydrophobicContact CB-CG 4.25Å; R309-Q311 PolarHBondContact O-N 3.29Å; R309-Q311 VanDerWaalsContact O-N 3.09Å; Q311-R313 PolarHBondContact O-N 3.38Å; Q311-R313 VanDerWaalsContact O-N 3.1Å; Q311-V314 HydrophobicContact CB-CB 4.15Å; Q311-V314 HydrophobicContact CB-CG2 4.21Å; Q311-V314 WeakPolarHBondContact O-CA 3.38Å; Q311-V314 WeakPolarHBondContact O-CB 3.44Å; Q311-V314 PolarHBondContact O-N 2.93Å; Q311-Q315 PolarHBondContact O-N 3.48Å
312Y57.9Low62.7Low168 Ų16872.5 Ų72.566%0.65935%0.346SS*.Hα-helixtrans-52-37.4-174.2-59.9-74.1000113.9G310 V314 Q315 Q316G310-Y312 WeakPolarHBondContact O-CD2 3.3Å; G310-Y312 PolarHBondContact O-N 3.29Å; Y312-V314 VanDerWaalsContact C-N 3.33Å; Y312-V314 PolarHBondContact O-N 3.43Å; Y312-Q315 WeakPolarHBondContact O-CB 3.42Å; Y312-Q315 PolarHBondContact O-N 3.2Å; Y312-Q316 PolarHBondContact O-N 3.14Å
313R52.9Low61.7Low200 Ų20074.6 Ų74.676%0.75536%0.36SS*.Hα-helixtrans-66.2-29.9175.7-69.6-176.3176.1-177.5-1.7113.7Q311Q311-R313 PolarHBondContact O-N 3.38Å; Q311-R313 VanDerWaalsContact O-N 3.1Å
314V59.2Low61.1Low56 Ų5679.7 Ų79.734%0.33938%0.383SS..Hα-helixtrans-81.4-42.9172.9-177.80000109.5L306 Q311 Y312 Q316 K317 V318L306-V314 HydrophobicContact CD2-CG1 4.23Å; Q311-V314 HydrophobicContact CB-CB 4.15Å; Q311-V314 HydrophobicContact CB-CG2 4.21Å; Q311-V314 WeakPolarHBondContact O-CA 3.38Å; Q311-V314 WeakPolarHBondContact O-CB 3.44Å; Q311-V314 PolarHBondContact O-N 2.93Å; Y312-V314 VanDerWaalsContact C-N 3.33Å; Y312-V314 PolarHBondContact O-N 3.43Å; V314-Q316 VanDerWaalsContact C-N 3.34Å; V314-Q316 PolarHBondContact O-N 3.27Å; V314-K317 PolarHBondContact O-N 3.4Å; V314-K317 VanDerWaalsContact O-N 3.16Å; V314-V318 HydrophobicContact CG1-CG2 4.26Å; V314-V318 WeakPolarHBondContact O-CG2 3.4Å; V314-V318 PolarHBondContact O-N 3.12Å
315Q56.7Low60.7Low30 Ų3079.4 Ų79.414%0.1438%0.382CS..Hα-helixtrans-52.3-49.2175-177.1-178.3-11.500111.5Q311 Y312 K317 V318 Y319Q311-Q315 PolarHBondContact O-N 3.48Å; Y312-Q315 WeakPolarHBondContact O-CB 3.42Å; Y312-Q315 PolarHBondContact O-N 3.2Å; Q315-K317 VanDerWaalsContact C-N 3.33Å; Q315-K317 PolarHBondContact O-N 3.45Å; Q315-V318 CarbonylContact O-C 3.56Å; Q315-V318 PolarHBondContact O-N 3.3Å; Q315-V318 VanDerWaalsContact O-N 3.11Å; Q315-Y319 HydrophobicContact CG-CD2 3.55Å; Q315-Y319 HydrophobicContact CG-CE2 3.51Å; Q315-Y319 WeakPolarHBondContact O-CD2 3.26Å; Q315-Y319 PolarHBondContact O-N 3.1Å
316Q58.5Low61Low149 Ų14984.6 Ų84.670%0.69640%0.401SS*.Hα-helixtrans-59.7-40.4179.7-168.8179.58.500112.6Y312 V314 S320Y312-Q316 PolarHBondContact O-N 3.14Å; V314-Q316 VanDerWaalsContact C-N 3.34Å; V314-Q316 PolarHBondContact O-N 3.27Å; Q316-S320 WeakPolarHBondContact O-CB 3.21Å; Q316-S320 PolarHBondContact O-N 3.14Å
317K59.8Low61.7Low154 Ų15486.1 Ų86.167%0.6741%0.413SS*.Hα-helixtrans-67.5-38175-68.3-173.3177.6-173.40112.1V314 Q315 S320 I321V314-K317 PolarHBondContact O-N 3.4Å; V314-K317 VanDerWaalsContact O-N 3.16Å; Q315-K317 VanDerWaalsContact C-N 3.33Å; Q315-K317 PolarHBondContact O-N 3.45Å; K317-S320 PolarHBondContact O-N 3.22Å; K317-I321 WeakPolarHBondContact O-CD1 3.42Å; K317-I321 VanDerWaalsContact O-CG1 3.27Å; K317-I321 WeakPolarHBondContact O-CG1 3.38Å; K317-I321 PolarHBondContact O-N 2.93Å
318V57.9Low62.6Low13 Ų1382.1 Ų82.18%0.07939%0.394CS..Hα-helixtrans-68.4-44.6175.4172.80000111.2L303 L306 V314 Q315 S320 I321 Y322 V536L303-V318 HydrophobicContact CD2-CG1 3.86Å; L306-V318 HydrophobicContact CD1-CB 4.21Å; L306-V318 HydrophobicContact CD1-CG1 4.05Å; L306-V318 HydrophobicContact CD1-CG2 3.99Å; V314-V318 HydrophobicContact CG1-CG2 4.26Å; V314-V318 WeakPolarHBondContact O-CG2 3.4Å; V314-V318 PolarHBondContact O-N 3.12Å; Q315-V318 CarbonylContact O-C 3.56Å; Q315-V318 PolarHBondContact O-N 3.3Å; Q315-V318 VanDerWaalsContact O-N 3.11Å; V318-S320 VanDerWaalsContact C-N 3.27Å; V318-S320 PolarHBondContact O-N 3.15Å; V318-I321 PolarHBondContact O-N 3Å; V318-Y322 HydrophobicContact CG1-CD2 3.76Å; V318-Y322 HydrophobicContact CG1-CE2 4.15Å; V318-Y322 WeakPolarHBondContact O-CD2 3.41Å; V318-Y322 PolarHBondContact O-N 3.37Å; V318-V536 HydrophobicContact CG2-CG1 4.26Å
319Y62.1Low63.7Low71 Ų7178.6 Ų78.628%0.27838%0.379SS..Hα-helixtrans-59.2-38.4174.6-92.7-108.2000112.1L303 Q315 C323 E324L303-Y319 HydrophobicContact CD2-CD2 3.89Å; L303-Y319 HydrophobicContact CD2-CE2 3.63Å; Q315-Y319 HydrophobicContact CG-CD2 3.55Å; Q315-Y319 HydrophobicContact CG-CE2 3.51Å; Q315-Y319 WeakPolarHBondContact O-CD2 3.26Å; Q315-Y319 PolarHBondContact O-N 3.1Å; Y319-C323 WeakPolarHBondContact O-CA 3.22Å; Y319-C323 PolarHBondContact O-N 3.23Å; Y319-C323 VanDerWaalsContact O-N 3.1Å; Y319-E324 HydrophobicContact CD1-CB 4.29Å; Y319-E324 HydrophobicContact CD1-CG 4.24Å; Y319-E324 PolarHBondContact O-N 2.76Å
320S56.7Low64.9Low95 Ų9579.5 Ų79.566%0.66439%0.389SS*.Hα-helixtrans-68.5-37.1175172.80000113.6Q316 K317 V318Q316-S320 WeakPolarHBondContact O-CB 3.21Å; Q316-S320 PolarHBondContact O-N 3.14Å; K317-S320 PolarHBondContact O-N 3.22Å; V318-S320 VanDerWaalsContact C-N 3.27Å; V318-S320 PolarHBondContact O-N 3.15Å
321I58.3Low66.6Low72 Ų7279.4 Ų79.437%0.36938%0.383SS..Hα-helixtrans-79.6-38.6-179-70.3166.8000112.3K317 V318K317-I321 WeakPolarHBondContact O-CD1 3.42Å; K317-I321 VanDerWaalsContact O-CG1 3.27Å; K317-I321 WeakPolarHBondContact O-CG1 3.38Å; K317-I321 PolarHBondContact O-N 2.93Å; V318-I321 PolarHBondContact O-N 3Å
322Y55.9Low68.1Low29 Ų2975 Ų7511%0.11436%0.363CS..THydrogen-bonded Turntrans-97.110.1-177.4-66.6-97.2000113V318 E324 G325 V536 T538V318-Y322 HydrophobicContact CG1-CD2 3.76Å; V318-Y322 HydrophobicContact CG1-CE2 4.15Å; V318-Y322 WeakPolarHBondContact O-CD2 3.41Å; V318-Y322 PolarHBondContact O-N 3.37Å; Y322-E324 PolarHBondContact O-N 2.96Å; Y322-G325 PolarHBondContact O-N 2.99Å; Y322-V536 PolarHBondContact OH-O 2.9Å; Y322-T538 WeakPolarHBondContact CE1-O 3.4Å; Y322-T538 PolarHBondContact OH-N 2.8Å; Y322-T538 PolarHBondContact OH-O 3.05Å
323C56.6Low69.9Low69 Ų6972.3 Ų72.347%0.46636%0.358SS..G310 helixtrans43.462.5-178.4-620000112.6Y319 G325 Y326Y319-C323 WeakPolarHBondContact O-CA 3.22Å; Y319-C323 PolarHBondContact O-N 3.23Å; Y319-C323 VanDerWaalsContact O-N 3.1Å; C323-G325 PolarHBondContact O-N 3Å; C323-Y326 HydrophobicContact CB-CD2 4.41Å; C323-Y326 WeakPolarHBondContact O-CB 3.5Å; C323-Y326 WeakPolarHBondContact O-CD2 3.32Å; C323-Y326 PolarHBondContact O-N 3.34Å
324E60.1Low71.9Confident118 Ų11866.9 Ų66.955%0.55135%0.347SS*.G310 helixtrans57.90.5179.9-45.4-165.5121.500116.7Y319 Y322 Y326Y319-E324 HydrophobicContact CD1-CB 4.29Å; Y319-E324 HydrophobicContact CD1-CG 4.24Å; Y319-E324 PolarHBondContact O-N 2.76Å; Y322-E324 PolarHBondContact O-N 2.96Å; E324-Y326 HydrophobicContact CB-CD2 4.32Å; E324-Y326 HydrophobicContact CB-CE2 4.21Å; E324-Y326 HydrophobicContact CG-CE2 4.46Å; E324-Y326 WeakPolarHBondContact OE2-CE2 3.38Å
325G65.5Low73.6Confident4 Ų465 Ų654%0.04134%0.336CS..G310 helixtrans110-5.6-168.900000114.8Y322 C323 S327 S328 H329Y322-G325 PolarHBondContact O-N 2.99Å; C323-G325 PolarHBondContact O-N 3Å; G325-S327 PolarHBondContact O-N 2.93Å; G325-S327 VanDerWaalsContact O-N 3.07Å; G325-S328 PolarHBondContact O-N 3.4Å; G325-S328 PolarHBondContact O-OG 2.97Å; G325-S328 VanDerWaalsContact O-OG 3.04Å; G325-H329 PolarHBondContact O-CD2 3.38Å
326Y77.6Confident75.5Confident120 Ų12065.5 Ų65.547%0.47134%0.339SS..Hα-helixtrans-57.8-21.7176-68.6-63.3000113.4C323 E324 S328 H329 I330C323-Y326 HydrophobicContact CB-CD2 4.41Å; C323-Y326 WeakPolarHBondContact O-CB 3.5Å; C323-Y326 WeakPolarHBondContact O-CD2 3.32Å; C323-Y326 PolarHBondContact O-N 3.34Å; E324-Y326 HydrophobicContact CB-CD2 4.32Å; E324-Y326 HydrophobicContact CB-CE2 4.21Å; E324-Y326 HydrophobicContact CG-CE2 4.46Å; E324-Y326 WeakPolarHBondContact OE2-CE2 3.38Å; Y326-S328 VanDerWaalsContact C-N 3.31Å; Y326-S328 PolarHBondContact O-N 3.27Å; Y326-H329 PolarHBondContact O-N 3.48Å; Y326-I330 WeakPolarHBondContact O-CG1 3.41Å; Y326-I330 PolarHBondContact O-N 3Å
327S82.4Confident77.3Confident47 Ų4762.1 Ų62.133%0.32933%0.329SS..Hα-helixtrans-51.5-43.8176.1-1770000113.7G325 I330 S331G325-S327 PolarHBondContact O-N 2.93Å; G325-S327 VanDerWaalsContact O-N 3.07Å; S327-I330 PolarHBondContact O-N 3.07Å; S327-S331 PolarHBondContact O-N 3.14Å; S327-S331 VanDerWaalsContact O-N 3.14Å; S327-S331 PolarHBondContact O-OG 2.71Å
328S86.8Confident79Confident3 Ų359 Ų592%0.02132%0.317CS..Hα-helixtrans-72.9-32.2177.750.60000112.6Y296 G325 Y326 S331 A332Y296-S328 WeakPolarHBondContact CD2-OG 3.39Å; G325-S328 PolarHBondContact O-N 3.4Å; G325-S328 PolarHBondContact O-OG 2.97Å; G325-S328 VanDerWaalsContact O-OG 3.04Å; Y326-S328 VanDerWaalsContact C-N 3.31Å; Y326-S328 PolarHBondContact O-N 3.27Å; S328-S331 WeakPolarHBondContact CA-OG 3.33Å; S328-S331 PolarHBondContact O-OG 2.63Å; S328-S331 VanDerWaalsContact O-OG 3.07Å; S328-A332 WeakPolarHBondContact O-CB 3.42Å; S328-A332 PolarHBondContact O-N 2.95Å
329H88.9Confident80.8Confident34 Ų3458.5 Ų58.516%0.15731%0.314CS..Hα-helixtrans-69.4-37.7173.3-63.8-92.7000112.3Y296 G325 Y326 A332 I333 W380 T384Y296-H329 AromaticContact CE2-NE2 3.6Å; G325-H329 PolarHBondContact O-CD2 3.38Å; Y326-H329 PolarHBondContact O-N 3.48Å; H329-A332 WeakPolarHBondContact O-CB 3.4Å; H329-A332 PolarHBondContact O-N 3.13Å; H329-I333 WeakPolarHBondContact O-CG1 3.38Å; H329-I333 PolarHBondContact O-N 3.03Å; H329-W380 AromaticContact ND1-CE3 3.95Å; H329-T384 PolarHBondContact CE1-OG1 3.14Å; H329-T384 PolarHBondContact ND1-OG1 3.11Å
330I91.7Very high82.4Confident103 Ų10358.2 Ų58.253%0.52832%0.32SS..Hα-helixtrans-63.4-46.2174.8-67.5163.6000110.2Y326 S327 A332 I333 V334Y326-I330 WeakPolarHBondContact O-CG1 3.41Å; Y326-I330 PolarHBondContact O-N 3Å; S327-I330 PolarHBondContact O-N 3.07Å; I330-A332 VanDerWaalsContact C-N 3.28Å; I330-A332 PolarHBondContact O-N 3.18Å; I330-I333 PolarHBondContact O-N 3.24Å; I330-V334 WeakPolarHBondContact O-CG2 3.38Å; I330-V334 PolarHBondContact O-N 3.06Å
331S91.4Very high84.2Confident37 Ų3759.1 Ų59.126%0.25932%0.317SS..Hα-helixtrans-65.9-29.3175.841.30000113S327 S328 V334 T335S327-S331 PolarHBondContact O-N 3.14Å; S327-S331 VanDerWaalsContact O-N 3.14Å; S327-S331 PolarHBondContact O-OG 2.71Å; S328-S331 WeakPolarHBondContact CA-OG 3.33Å; S328-S331 PolarHBondContact O-OG 2.63Å; S328-S331 VanDerWaalsContact O-OG 3.07Å; S331-V334 PolarHBondContact O-N 2.76Å; S331-T335 PolarHBondContact O-N 2.69Å; S331-T335 PolarHBondContact O-OG1 3.43Å
332A93.9Very high85.9Confident4 Ų456.2 Ų56.23%0.03330%0.303CS..Hα-helixtrans-67.2-37.8172.400000113.4V292 S328 H329 I330 T335 L336 W376 W380V292-A332 HydrophobicContact CG1-CB 4.23Å; S328-A332 WeakPolarHBondContact O-CB 3.42Å; S328-A332 PolarHBondContact O-N 2.95Å; H329-A332 WeakPolarHBondContact O-CB 3.4Å; H329-A332 PolarHBondContact O-N 3.13Å; I330-A332 VanDerWaalsContact C-N 3.28Å; I330-A332 PolarHBondContact O-N 3.18Å; A332-T335 WeakPolarHBondContact CA-OG1 3.14Å; A332-T335 PolarHBondContact O-OG1 3.11Å; A332-L336 WeakPolarHBondContact O-CB 3.49Å; A332-L336 PolarHBondContact O-N 3.33Å; A332-W376 HydrophobicContact CB-CZ2 4.27Å; A332-W376 PolarHBondContact O-NE1 3.25Å; A332-W380 HydrophobicContact CB-CD2 3.34Å; A332-W380 HydrophobicContact CB-CE3 3.63Å; A332-W380 HydrophobicContact CB-CG 3.86Å; A332-W380 HydrophobicContact CB-CH2 3.9Å; A332-W380 HydrophobicContact CB-CZ2 3.65Å; A332-W380 HydrophobicContact CB-CZ3 3.89Å
333I94.5Very high87.7Confident110 Ų11054.9 Ų54.956%0.56430%0.298SS*.Hα-helixtrans-68.1-45.1174-66.3163.4000110.1H329 I330 T335 L336 V337H329-I333 WeakPolarHBondContact O-CG1 3.38Å; H329-I333 PolarHBondContact O-N 3.03Å; I330-I333 PolarHBondContact O-N 3.24Å; I333-T335 PolarHBondContact O-N 2.97Å; I333-L336 PolarHBondContact O-N 3.36Å; I333-V337 WeakPolarHBondContact O-CG2 3.39Å; I333-V337 PolarHBondContact O-N 3.37Å
334V95.3Very high89.4Confident86 Ų8654.1 Ų54.152%0.52130%0.296SS..Hα-helixtrans-60.8-44.9177172.40000111.3I330 S331 V337 M338I330-V334 WeakPolarHBondContact O-CG2 3.38Å; I330-V334 PolarHBondContact O-N 3.06Å; S331-V334 PolarHBondContact O-N 2.76Å; V334-V337 PolarHBondContact O-N 2.85Å; V334-M338 WeakPolarHBondContact O-CG 3.49Å; V334-M338 PolarHBondContact O-N 3.02Å
335T94.9Very high90.9Very high17 Ų1749.8 Ų49.810%0.10428%0.279CS..Hα-helixtrans-67.3-34.5175.842.80000112.9V292 S331 A332 I333 M338 M339 W376V292-T335 HydrophobicContact CG2-CG2 3.78Å; S331-T335 PolarHBondContact O-N 2.69Å; S331-T335 PolarHBondContact O-OG1 3.43Å; A332-T335 WeakPolarHBondContact CA-OG1 3.14Å; A332-T335 PolarHBondContact O-OG1 3.11Å; I333-T335 PolarHBondContact O-N 2.97Å; T335-M338 PolarHBondContact O-N 2.89Å; T335-M339 WeakPolarHBondContact O-CB 3.48Å; T335-M339 VanDerWaalsContact O-CG 3.29Å; T335-M339 WeakPolarHBondContact O-CG 3.39Å; T335-M339 PolarHBondContact O-N 3.28Å; T335-W376 WeakPolarHBondContact OG1-CZ2 3.37Å
336L95.7Very high92.1Very high40 Ų4050.4 Ų50.421%0.20928%0.281CS..Hα-helixtrans-60.9-46.8171.5177.256.5000111.7A332 I333 M338 M339 V340 L373 I377A332-L336 WeakPolarHBondContact O-CB 3.49Å; A332-L336 PolarHBondContact O-N 3.33Å; I333-L336 PolarHBondContact O-N 3.36Å; L336-M338 VanDerWaalsContact C-N 3.35Å; L336-M338 PolarHBondContact O-N 2.87Å; L336-M339 PolarHBondContact O-N 2.93Å; L336-V340 HydrophobicContact CD1-CG2 4.06Å; L336-V340 WeakPolarHBondContact O-CG2 3.5Å; L336-V340 PolarHBondContact O-N 2.68Å; L336-L373 HydrophobicContact CD1-CD2 4.22Å; L336-I377 HydrophobicContact CD2-CD1 4.4Å; L336-I377 HydrophobicContact CD2-CG1 3.96Å
337V96.6Very high92.9Very high79 Ų7945.6 Ų45.648%0.47926%0.264SS..Hα-helixtrans-59.8-45.6176.4172.70000110.8I333 V334 M339 V340 L341I333-V337 WeakPolarHBondContact O-CG2 3.39Å; I333-V337 PolarHBondContact O-N 3.37Å; V334-V337 PolarHBondContact O-N 2.85Å; V337-M339 PolarHBondContact O-N 3.01Å; V337-V340 PolarHBondContact O-N 2.9Å; V337-L341 HydrophobicContact CG1-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CG 4.39Å; V337-L341 WeakPolarHBondContact O-CB 3.28Å; V337-L341 VanDerWaalsContact O-CG 3.3Å; V337-L341 WeakPolarHBondContact O-CG 3.36Å; V337-L341 PolarHBondContact O-N 3.46Å
338M96.1Very high93.3Very high87 Ų8749.3 Ų49.343%0.42927%0.271SS..Hα-helixtrans-62.7-40.6176.4-66.5-61.9-63.300112.5V285 V334 T335 L336 L341 C342V285-M338 HydrophobicContact CG1-CB 3.8Å; V285-M338 HydrophobicContact CG2-CB 4.39Å; V334-M338 WeakPolarHBondContact O-CG 3.49Å; V334-M338 PolarHBondContact O-N 3.02Å; T335-M338 PolarHBondContact O-N 2.89Å; L336-M338 VanDerWaalsContact C-N 3.35Å; L336-M338 PolarHBondContact O-N 2.87Å; M338-L341 PolarHBondContact O-N 3.21Å; M338-C342 PolarHBondContact O-N 3.4Å; M338-C342 PolarHBondContact O-SG 3.48Å
339M94.9Very high93.5Very high3 Ų349.3 Ų49.32%0.01527%0.271CS..Hα-helixtrans-64.9-41176.2-74-174.4-63.200112.1V285 A289 T335 L336 V337 C342 K343 Y372 L373 W376V285-M339 HydrophobicContact CG1-CB 4.44Å; V285-M339 HydrophobicContact CG1-CG 3.5Å; V285-M339 VanDerWaalsContact CG1-CG 3.5Å; A289-M339 HydrophobicContact CB-CE 4.38Å; A289-M339 HydrophobicContact CB-SD 4.04Å; T335-M339 WeakPolarHBondContact O-CB 3.48Å; T335-M339 VanDerWaalsContact O-CG 3.29Å; T335-M339 WeakPolarHBondContact O-CG 3.39Å; T335-M339 PolarHBondContact O-N 3.28Å; L336-M339 PolarHBondContact O-N 2.93Å; V337-M339 PolarHBondContact O-N 3.01Å; M339-C342 PolarHBondContact O-N 3.11Å; M339-K343 WeakPolarHBondContact O-CB 3.29Å; M339-K343 WeakPolarHBondContact O-CG 3.42Å; M339-K343 PolarHBondContact O-N 3.06Å; M339-Y372 HydrophobicContact SD-CE1 3.7Å; M339-L373 HydrophobicContact CB-CD2 4.23Å; M339-W376 HydrophobicContact CE-CD2 3.68Å; M339-W376 HydrophobicContact CE-CE3 4.31Å; M339-W376 HydrophobicContact CE-CG 3.79Å; M339-W376 HydrophobicContact CE-CZ2 4.19Å
340V95.7Very high93.6Very high66 Ų6647.7 Ų47.740%0.426%0.264SS..Hα-helixtrans-66-42.7175.91720000111L336 V337 C342 K343 A344 L373L336-V340 HydrophobicContact CD1-CG2 4.06Å; L336-V340 WeakPolarHBondContact O-CG2 3.5Å; L336-V340 PolarHBondContact O-N 2.68Å; V337-V340 PolarHBondContact O-N 2.9Å; V340-C342 VanDerWaalsContact C-N 3.31Å; V340-C342 PolarHBondContact O-N 3.27Å; V340-K343 PolarHBondContact O-N 3.37Å; V340-A344 WeakPolarHBondContact O-CB 3.43Å; V340-A344 PolarHBondContact O-N 2.91Å; V340-L373 HydrophobicContact CG2-CD1 4.46Å; V340-L373 HydrophobicContact CG2-CD2 4.18Å
341L95.2Very high93.5Very high113 Ų11346.6 Ų46.659%0.59226%0.257SS*.Hα-helixtrans-63-35.1176.1-71.2171.7000112.8V337 M338 P345V337-L341 HydrophobicContact CG1-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CG 4.39Å; V337-L341 WeakPolarHBondContact O-CB 3.28Å; V337-L341 VanDerWaalsContact O-CG 3.3Å; V337-L341 WeakPolarHBondContact O-CG 3.36Å; V337-L341 PolarHBondContact O-N 3.46Å; M338-L341 PolarHBondContact O-N 3.21Å; L341-P345 WeakPolarHBondContact O-CD 3.41Å
342C94.1Very high93.3Very high12 Ų1245.8 Ų45.88%0.08125%0.251CS..Hα-helixtrans-78.5-33.7176-66.70000113.7L278 M338 M339 V340L278-C342 HydrophobicContact CD1-CB 4.44Å; L278-C342 WeakPolarHBondContact CD2-O 3.46Å; L278-C342 WeakPolarHBondContact CG-O 3.4Å; M338-C342 PolarHBondContact O-N 3.4Å; M338-C342 PolarHBondContact O-SG 3.48Å; M339-C342 PolarHBondContact O-N 3.11Å; V340-C342 VanDerWaalsContact C-N 3.31Å; V340-C342 PolarHBondContact O-N 3.27Å
343K93.4Very high93Very high1 Ų145.9 Ų45.90%0.00425%0.25CS..Hα-helixtrans-92.3-24.9-176.7-70.2-167.3177-58.80115.4C243 T282 M339 V340 P345 T346 L347 E369C243-K343 PolarHBondContact SG-NZ 3.16Å; T282-K343 HydrophobicContact CG2-CG 4.18Å; T282-K343 VanDerWaalsContact CG2-NZ 3.27Å; M339-K343 WeakPolarHBondContact O-CB 3.29Å; M339-K343 WeakPolarHBondContact O-CG 3.42Å; M339-K343 PolarHBondContact O-N 3.06Å; V340-K343 PolarHBondContact O-N 3.37Å; K343-P345 VanDerWaalsContact C-N 3.33Å; K343-T346 WeakPolarHBondContact CA-OG1 3.35Å; K343-T346 PolarHBondContact O-N 2.89Å; K343-T346 PolarHBondContact O-OG1 3.38Å; K343-L347 HydrophobicContact CB-CD1 4.4Å; K343-L347 VanDerWaalsContact O-CB 3.3Å; K343-L347 WeakPolarHBondContact O-CB 3.39Å; K343-L347 WeakPolarHBondContact O-CG 3.27Å; K343-L347 PolarHBondContact O-N 2.93Å; K343-E369 IonicContact NZ-OE1 2.77Å; K343-E369 PolarHBondContact NZ-OE1 3.33Å
344A92.5Very high92.7Very high52 Ų5244.2 Ų44.243%0.4324%0.238SC..Hα-helixtrans-58.1-38.9179.500000113.3V340 Y348V340-A344 WeakPolarHBondContact O-CB 3.43Å; V340-A344 PolarHBondContact O-N 2.91Å; A344-Y348 WeakPolarHBondContact O-CB 3.41Å; A344-Y348 PolarHBondContact O-N 3.08Å
345P92.6Very high92.3Very high28 Ų2847.5 Ų47.518%0.18225%0.247CC..Hα-helixtrans-71.2-39.7175.4-18.333.1000113.5L269 L270 L278 L341 K343 Y348 D349L269-P345 HydrophobicContact CD2-CB 4.14Å; L270-P345 HydrophobicContact CD1-CB 3.56Å; L270-P345 HydrophobicContact CD2-CB 4.44Å; L278-P345 HydrophobicContact CD2-CB 3.71Å; L278-P345 HydrophobicContact CD2-CG 3.9Å; L341-P345 WeakPolarHBondContact O-CD 3.41Å; K343-P345 VanDerWaalsContact C-N 3.33Å; P345-Y348 PolarHBondContact O-N 3.47Å; P345-D349 PolarHBondContact O-N 2.7Å; P345-D349 VanDerWaalsContact O-N 3.16Å
346T90.9Very high91.6Very high16 Ų1651.1 Ų51.110%0.09826%0.263CS..Hα-helixtrans-65-43.1176.757.20000111.3L270 L278 K343 Y348 D349 L350 E369L270-T346 HydrophobicContact CD2-CG2 4.07Å; L278-T346 HydrophobicContact CD2-CG2 3.95Å; K343-T346 WeakPolarHBondContact CA-OG1 3.35Å; K343-T346 PolarHBondContact O-N 2.89Å; K343-T346 PolarHBondContact O-OG1 3.38Å; T346-Y348 VanDerWaalsContact C-N 3.32Å; T346-Y348 PolarHBondContact O-N 3.14Å; T346-D349 PolarHBondContact O-N 2.94Å; T346-L350 WeakPolarHBondContact O-CB 3.32Å; T346-L350 VanDerWaalsContact O-CG 3.23Å; T346-L350 WeakPolarHBondContact O-CG 3.3Å; T346-L350 PolarHBondContact O-N 2.92Å; T346-E369 PolarHBondContact OG1-OE2 2.92Å
347L92.7Very high90.8Very high19 Ų1951.6 Ų51.610%0.09926%0.264CS..Hα-helixtrans-60.4-39.6174.1-77.6171.7000112.3K343 M351 I366 E369 V370K343-L347 HydrophobicContact CB-CD1 4.4Å; K343-L347 VanDerWaalsContact O-CB 3.3Å; K343-L347 WeakPolarHBondContact O-CB 3.39Å; K343-L347 WeakPolarHBondContact O-CG 3.27Å; K343-L347 PolarHBondContact O-N 2.93Å; L347-M351 HydrophobicContact CB-CE 4.49Å; L347-M351 HydrophobicContact CD2-CE 4.47Å; L347-M351 WeakPolarHBondContact O-CB 3.36Å; L347-M351 WeakPolarHBondContact O-CG 3.49Å; L347-M351 PolarHBondContact O-N 3.11Å; L347-I366 HydrophobicContact CD2-CG2 4.32Å; L347-E369 HydrophobicContact CD2-CB 3.79Å; L347-E369 HydrophobicContact CD2-CG 4.43Å; L347-E369 HydrophobicContact CG-CB 4.42Å; L347-V370 HydrophobicContact CD1-CG2 4.44Å; L347-V370 HydrophobicContact CD2-CG2 4.22Å
348Y92.6Very high90.1Very high125 Ų12552.6 Ų52.649%0.4928%0.275SS..Hα-helixtrans-62.9-52.7178.3-179.7-99.1000111.9L269 A344 P345 T346 L350 M351 V352L269-Y348 HydrophobicContact CB-CD1 4.39Å; A344-Y348 WeakPolarHBondContact O-CB 3.41Å; A344-Y348 PolarHBondContact O-N 3.08Å; P345-Y348 PolarHBondContact O-N 3.47Å; T346-Y348 VanDerWaalsContact C-N 3.32Å; T346-Y348 PolarHBondContact O-N 3.14Å; Y348-L350 VanDerWaalsContact C-N 3.32Å; Y348-L350 PolarHBondContact O-N 3.04Å; Y348-M351 PolarHBondContact O-N 3.38Å; Y348-M351 VanDerWaalsContact O-N 3.11Å; Y348-V352 HydrophobicContact CD1-CG2 4.24Å; Y348-V352 HydrophobicContact CD2-CG2 4.49Å; Y348-V352 HydrophobicContact CE1-CG2 3.79Å; Y348-V352 HydrophobicContact CE2-CG2 4.05Å; Y348-V352 WeakPolarHBondContact O-CG2 3.45Å; Y348-V352 PolarHBondContact O-N 2.88Å
349D90.8Very high89.5Confident3 Ų351.7 Ų51.72%0.01627%0.269CS..Hα-helixtrans-65.3-35.3-179.3-73.5-23.4000111.8L250 F268 L269 L270 P345 T346 L353L250-D349 HydrophobicContact CD2-CB 4.17Å; F268-D349 HydrophobicContact CD1-CB 4.1Å; L269-D349 PolarHBondContact N-OD1 3.41Å; L269-D349 PolarHBondContact N-OD2 3.33Å; L270-D349 WeakPolarHBondContact CB-OD2 3.42Å; L270-D349 PolarHBondContact N-OD2 3.43Å; P345-D349 PolarHBondContact O-N 2.7Å; P345-D349 VanDerWaalsContact O-N 3.16Å; T346-D349 PolarHBondContact O-N 2.94Å; D349-L353 VanDerWaalsContact O-CB 3.29Å; D349-L353 WeakPolarHBondContact O-CB 3.28Å; D349-L353 PolarHBondContact O-N 3.31Å
350L89.7Confident89Confident0 Ų054.5 Ų54.50%029%0.293CS..Hα-helixtrans-62.8-42.1170.3-73.1172.3000112.8A246 L250 T346 Y348 L353 Y354 L362 C365 I366A246-L350 HydrophobicContact CB-CD1 3.95Å; A246-L350 HydrophobicContact CB-CD2 4.12Å; L250-L350 HydrophobicContact CD1-CD2 4.13Å; L250-L350 HydrophobicContact CD1-CG 4.19Å; L250-L350 HydrophobicContact CD2-CD2 4.17Å; L250-L350 HydrophobicContact CG-CD2 4.02Å; T346-L350 WeakPolarHBondContact O-CB 3.32Å; T346-L350 VanDerWaalsContact O-CG 3.23Å; T346-L350 WeakPolarHBondContact O-CG 3.3Å; T346-L350 PolarHBondContact O-N 2.92Å; Y348-L350 VanDerWaalsContact C-N 3.32Å; Y348-L350 PolarHBondContact O-N 3.04Å; L350-L353 PolarHBondContact O-N 3Å; L350-Y354 VanDerWaalsContact O-CB 3.31Å; L350-Y354 WeakPolarHBondContact O-CB 3.46Å; L350-Y354 PolarHBondContact O-N 3.07Å; L350-L362 HydrophobicContact CD2-CD2 4.01Å; L350-C365 HydrophobicContact CD1-CB 4.47Å; L350-I366 HydrophobicContact CB-CD1 4.1Å; L350-I366 HydrophobicContact CB-CG1 3.83Å; L350-I366 HydrophobicContact CD1-CG1 4.25Å
351M90.1Very high88.6Confident81 Ų8152 Ų5240%0.39928%0.277SS..Hα-helixtrans-68.7-41.9179-76.2177-170.300112L347 Y348 L353 Y354 Q355 I366L347-M351 HydrophobicContact CB-CE 4.49Å; L347-M351 HydrophobicContact CD2-CE 4.47Å; L347-M351 WeakPolarHBondContact O-CB 3.36Å; L347-M351 WeakPolarHBondContact O-CG 3.49Å; L347-M351 PolarHBondContact O-N 3.11Å; Y348-M351 PolarHBondContact O-N 3.38Å; Y348-M351 VanDerWaalsContact O-N 3.11Å; M351-L353 VanDerWaalsContact C-N 3.34Å; M351-Y354 PolarHBondContact O-N 2.86Å; M351-Q355 WeakPolarHBondContact O-CG 3.26Å; M351-Q355 PolarHBondContact O-N 3.06Å; M351-I366 HydrophobicContact CE-CG2 3.95Å; M351-I366 HydrophobicContact CG-CD1 4.15Å
352V87.9Confident88.3Confident20 Ų2046.7 Ų46.712%0.12125%0.25CC..Hα-helixtrans-61.4-44.9174.1172.10000110.2T266 Y348 Q355 H356T266-V352 HydrophobicContact CG2-CG1 4.37Å; Y348-V352 HydrophobicContact CD1-CG2 4.24Å; Y348-V352 HydrophobicContact CD2-CG2 4.49Å; Y348-V352 HydrophobicContact CE1-CG2 3.79Å; Y348-V352 HydrophobicContact CE2-CG2 4.05Å; Y348-V352 WeakPolarHBondContact O-CG2 3.45Å; Y348-V352 PolarHBondContact O-N 2.88Å; V352-Q355 PolarHBondContact O-N 2.89Å; V352-H356 PolarHBondContact O-ND1 3.02Å
353L86.6Confident88.1Confident5 Ų549.3 Ų49.33%0.02626%0.263CS..Hα-helixtrans-61.9-45.5175.9179.861.9000112.1W154 L250 I253 F268 D349 L350 M351 Q355 H356 Q357 L362W154-L353 HydrophobicContact CH2-CD1 4.45Å; L250-L353 HydrophobicContact CD2-CD2 4.16Å; I253-L353 HydrophobicContact CD1-CD1 4.1Å; I253-L353 HydrophobicContact CD1-CD2 3.53Å; I253-L353 HydrophobicContact CD1-CG 4.4Å; I253-L353 HydrophobicContact CG2-CD1 4.06Å; F268-L353 HydrophobicContact CE1-CB 4.3Å; F268-L353 HydrophobicContact CZ-CD1 4.36Å; D349-L353 VanDerWaalsContact O-CB 3.29Å; D349-L353 WeakPolarHBondContact O-CB 3.28Å; D349-L353 PolarHBondContact O-N 3.31Å; L350-L353 PolarHBondContact O-N 3Å; M351-L353 VanDerWaalsContact C-N 3.34Å; L353-Q355 VanDerWaalsContact C-N 3.28Å; L353-Q355 PolarHBondContact O-N 3.34Å; L353-H356 PolarHBondContact O-N 3.29Å; L353-Q357 PolarHBondContact O-N 3.47Å; L353-L362 HydrophobicContact CB-CD1 4.47Å; L353-L362 HydrophobicContact CD2-CD1 3.8Å; L353-L362 HydrophobicContact CD2-CD2 3.69Å; L353-L362 HydrophobicContact CD2-CG 4.41Å; L353-L362 HydrophobicContact CG-CD1 3.69Å; L353-L362 HydrophobicContact CG-CD2 4.46Å
354Y87.8Confident88.1Confident76 Ų7650.4 Ų50.430%0.29827%0.27SS..Hα-helixtrans-64-29.4179.7-179-106.4000113.5L350 M351 H356 Q357 L362 L363 I366L350-Y354 VanDerWaalsContact O-CB 3.31Å; L350-Y354 WeakPolarHBondContact O-CB 3.46Å; L350-Y354 PolarHBondContact O-N 3.07Å; M351-Y354 PolarHBondContact O-N 2.86Å; Y354-H356 VanDerWaalsContact C-N 3.27Å; Y354-H356 PolarHBondContact O-N 2.88Å; Y354-Q357 WeakPolarHBondContact CA-O 3.3Å; Y354-Q357 CarbonylContact O-C 3.53Å; Y354-L362 HydrophobicContact CD2-CB 4.03Å; Y354-L363 HydrophobicContact CD2-CB 4.44Å; Y354-L363 HydrophobicContact CE1-CD1 4.38Å; Y354-L363 HydrophobicContact CE2-CB 3.82Å; Y354-I366 HydrophobicContact CG-CD1 4.38Å
355Q87.3Confident88.1Confident155 Ų15548 Ų4872%0.72425%0.25SS*.Hα-helixtrans-65.8-27.6172.7-75.6174.61.500113.3M351 V352 L353M351-Q355 WeakPolarHBondContact O-CG 3.26Å; M351-Q355 PolarHBondContact O-N 3.06Å; V352-Q355 PolarHBondContact O-N 2.89Å; L353-Q355 VanDerWaalsContact C-N 3.28Å; L353-Q355 PolarHBondContact O-N 3.34Å
356H80.4Confident88.2Confident92 Ų9247.5 Ų47.543%0.42625%0.246SC..Hα-helixtrans-95.3-28178.3-63.179.7000112.3V352 L353 Y354V352-H356 PolarHBondContact O-ND1 3.02Å; L353-H356 PolarHBondContact O-N 3.29Å; Y354-H356 VanDerWaalsContact C-N 3.27Å; Y354-H356 PolarHBondContact O-N 2.88Å
357Q79.4Confident88.4Confident51 Ų5151 Ų5124%0.23826%0.263CS..  trans-138.8103.1-178.4-75.3-66-12.100110.7W154 Y258 L353 Y354 Q359W154-Q357 HydrophobicContact CH2-CB 3.89Å; W154-Q357 HydrophobicContact CH2-CG 4.33Å; W154-Q357 HydrophobicContact CZ2-CB 3.89Å; W154-Q357 HydrophobicContact CZ2-CG 3.94Å; Y258-Q357 HydrophobicContact CE1-CG 4.15Å; Y258-Q357 PolarHBondContact OH-NE2 3.01Å; L353-Q357 PolarHBondContact O-N 3.47Å; Y354-Q357 WeakPolarHBondContact CA-O 3.3Å; Y354-Q357 CarbonylContact O-C 3.53Å; Q357-Q359 HydrophobicContact CB-CG 4.47Å; Q357-Q359 PolarHBondContact O-N 2.68Å
358S81Confident88.5Confident100 Ų10050.8 Ų50.870%0.69926%0.264SS*.  trans-7748.3-173.353.60000114.2
359Q83.2Confident88.5Confident68 Ų6845 Ų4532%0.31824%0.242SC..  trans-79.1133.4-176.1-68.2-68.6-5.300112.6W154 Q357 V361 L362 L363W154-Q359 HydrophobicContact CD2-CG 3.8Å; W154-Q359 HydrophobicContact CE3-CB 4.2Å; W154-Q359 HydrophobicContact CE3-CG 3.89Å; W154-Q359 HydrophobicContact CG-CG 4.44Å; W154-Q359 HydrophobicContact CH2-CG 4.01Å; W154-Q359 HydrophobicContact CZ2-CG 3.92Å; W154-Q359 HydrophobicContact CZ3-CB 4.22Å; W154-Q359 HydrophobicContact CZ3-CG 3.99Å; Q357-Q359 HydrophobicContact CB-CG 4.47Å; Q357-Q359 PolarHBondContact O-N 2.68Å; Q359-V361 PolarHBondContact O-N 2.62Å; Q359-L362 HydrophobicContact CB-CD1 4.24Å; Q359-L362 HydrophobicContact CB-CG 4.29Å; Q359-L362 PolarHBondContact O-N 3.11Å; Q359-L362 VanDerWaalsContact O-N 3.15Å; Q359-L363 PolarHBondContact O-N 2.67Å
360A85.7Confident88.7Confident61 Ų6147.1 Ų47.150%0.50426%0.255SS..Hα-helixtrans-60-32.6-177.200000113.4L363 S364A360-L363 PolarHBondContact O-N 2.66Å; A360-S364 PolarHBondContact O-N 2.8Å
361V86Confident89Confident13 Ų1350.2 Ų50.28%0.07928%0.276CS..Hα-helixtrans-65.6-40.9178.5-174.80000111.3T156 V245 Q359 S364 C365T156-V361 HydrophobicContact CG2-CG1 3.91Å; V245-V361 HydrophobicContact CG1-CG1 3.96Å; Q359-V361 PolarHBondContact O-N 2.62Å; V361-S364 PolarHBondContact O-N 3.17Å; V361-S364 PolarHBondContact O-OG 2.94Å; V361-C365 PolarHBondContact O-N 3.27Å; V361-C365 PolarHBondContact O-SG 3.44Å
362L88.9Confident89.3Confident2 Ų246.5 Ų46.51%0.0126%0.257CS..Hα-helixtrans-63.7-45.5175.2-64.7176.5000111.3W154 T249 L350 L353 Y354 Q359 S364 C365 I366W154-L362 HydrophobicContact CH2-CD1 4.01Å; W154-L362 HydrophobicContact CZ3-CD1 3.77Å; W154-L362 HydrophobicContact CZ3-CD2 4.24Å; W154-L362 HydrophobicContact CZ3-CG 3.99Å; T249-L362 HydrophobicContact CG2-CD2 3.97Å; L350-L362 HydrophobicContact CD2-CD2 4.01Å; L353-L362 HydrophobicContact CB-CD1 4.47Å; L353-L362 HydrophobicContact CD2-CD1 3.8Å; L353-L362 HydrophobicContact CD2-CD2 3.69Å; L353-L362 HydrophobicContact CD2-CG 4.41Å; L353-L362 HydrophobicContact CG-CD1 3.69Å; L353-L362 HydrophobicContact CG-CD2 4.46Å; Y354-L362 HydrophobicContact CD2-CB 4.03Å; Q359-L362 HydrophobicContact CB-CD1 4.24Å; Q359-L362 HydrophobicContact CB-CG 4.29Å; Q359-L362 PolarHBondContact O-N 3.11Å; Q359-L362 VanDerWaalsContact O-N 3.15Å; L362-S364 VanDerWaalsContact C-N 3.33Å; L362-S364 PolarHBondContact O-N 2.96Å; L362-C365 WeakPolarHBondContact O-CB 3.46Å; L362-C365 PolarHBondContact O-N 2.84Å; L362-I366 WeakPolarHBondContact O-CG1 3.34Å; L362-I366 PolarHBondContact O-N 3.12Å
363L91.4Very high89.6Confident67 Ų6746.8 Ų46.835%0.35126%0.258SS..Hα-helixtrans-58.8-44.5176.4-178.161.8000111.4Y354 Q359 A360 C365 I366 I367Y354-L363 HydrophobicContact CD2-CB 4.44Å; Y354-L363 HydrophobicContact CE1-CD1 4.38Å; Y354-L363 HydrophobicContact CE2-CB 3.82Å; Q359-L363 PolarHBondContact O-N 2.67Å; A360-L363 PolarHBondContact O-N 2.66Å; L363-C365 VanDerWaalsContact C-N 3.34Å; L363-C365 PolarHBondContact O-N 2.87Å; L363-I366 PolarHBondContact O-N 3.08Å; L363-I367 HydrophobicContact CD1-CD1 3.94Å; L363-I367 HydrophobicContact CD1-CG1 4.28Å; L363-I367 HydrophobicContact CG-CD1 3.83Å; L363-I367 WeakPolarHBondContact O-CB 3.29Å; L363-I367 VanDerWaalsContact O-CG1 3.28Å; L363-I367 WeakPolarHBondContact O-CG1 3.43Å; L363-I367 PolarHBondContact O-N 3.06Å
364S92Very high90Very high24 Ų2452.8 Ų52.817%0.16828%0.284CS..Hα-helixtrans-63.3-37.6177.675.20000112.7F242 A360 V361 L362 A368F242-S364 WeakPolarHBondContact CE1-OG 3.38Å; A360-S364 PolarHBondContact O-N 2.8Å; V361-S364 PolarHBondContact O-N 3.17Å; V361-S364 PolarHBondContact O-OG 2.94Å; L362-S364 VanDerWaalsContact C-N 3.33Å; L362-S364 PolarHBondContact O-N 2.96Å; S364-A368 VanDerWaalsContact O-CB 3.28Å; S364-A368 WeakPolarHBondContact O-CB 3.15Å; S364-A368 PolarHBondContact O-N 2.55Å
365C93.1Very high90.4Very high1 Ų153.2 Ų53.21%0.00729%0.29CS..Hα-helixtrans-64.1-50.1174.1-65.60000111.6A246 L350 V361 L362 L363 I367 A368 E369A246-C365 HydrophobicContact CB-CB 4.28Å; L350-C365 HydrophobicContact CD1-CB 4.47Å; V361-C365 PolarHBondContact O-N 3.27Å; V361-C365 PolarHBondContact O-SG 3.44Å; L362-C365 WeakPolarHBondContact O-CB 3.46Å; L362-C365 PolarHBondContact O-N 2.84Å; L363-C365 VanDerWaalsContact C-N 3.34Å; L363-C365 PolarHBondContact O-N 2.87Å; C365-I367 VanDerWaalsContact C-N 3.33Å; C365-I367 PolarHBondContact O-N 3.4Å; C365-A368 PolarHBondContact O-N 3.02Å; C365-E369 WeakPolarHBondContact O-CG 3.47Å; C365-E369 PolarHBondContact O-N 3.44Å
366I94.6Very high90.8Very high19 Ų1946 Ų4610%0.09726%0.256CS..Hα-helixtrans-58.7-45.7178.8-65.7164.8000110.6L347 L350 M351 Y354 L362 L363 E369 V370L347-I366 HydrophobicContact CD2-CG2 4.32Å; L350-I366 HydrophobicContact CB-CD1 4.1Å; L350-I366 HydrophobicContact CB-CG1 3.83Å; L350-I366 HydrophobicContact CD1-CG1 4.25Å; M351-I366 HydrophobicContact CE-CG2 3.95Å; M351-I366 HydrophobicContact CG-CD1 4.15Å; Y354-I366 HydrophobicContact CG-CD1 4.38Å; L362-I366 WeakPolarHBondContact O-CG1 3.34Å; L362-I366 PolarHBondContact O-N 3.12Å; L363-I366 PolarHBondContact O-N 3.08Å; I366-E369 PolarHBondContact O-N 2.91Å; I366-V370 WeakPolarHBondContact O-CB 3.46Å; I366-V370 VanDerWaalsContact O-CG2 3.31Å; I366-V370 WeakPolarHBondContact O-CG2 3.44Å; I366-V370 PolarHBondContact O-N 3.32Å
367I95.2Very high91.5Very high89 Ų8945.7 Ų45.746%0.45626%0.257SS..Hα-helixtrans-61.5-46.5176.5-69.1170.2000110.6L363 C365 E369 V370 C371L363-I367 HydrophobicContact CD1-CD1 3.94Å; L363-I367 HydrophobicContact CD1-CG1 4.28Å; L363-I367 HydrophobicContact CG-CD1 3.83Å; L363-I367 WeakPolarHBondContact O-CB 3.29Å; L363-I367 VanDerWaalsContact O-CG1 3.28Å; L363-I367 WeakPolarHBondContact O-CG1 3.43Å; L363-I367 PolarHBondContact O-N 3.06Å; C365-I367 VanDerWaalsContact C-N 3.33Å; C365-I367 PolarHBondContact O-N 3.4Å; I367-E369 PolarHBondContact O-N 2.84Å; I367-V370 PolarHBondContact O-N 2.75Å; I367-C371 VanDerWaalsContact O-CB 3.22Å; I367-C371 WeakPolarHBondContact O-CB 3.37Å; I367-C371 PolarHBondContact O-N 3.25Å; I367-C371 PolarHBondContact O-SG 3.46Å
368A94.5Very high92.2Very high15 Ų1547.6 Ų47.612%0.12427%0.268CS..Hα-helixtrans-62.5-39.4-179.300000113.2F242 S364 C365 Y372F242-A368 HydrophobicContact CB-CB 3.79Å; F242-A368 HydrophobicContact CD1-CB 4.16Å; F242-A368 HydrophobicContact CD2-CB 3.49Å; F242-A368 VanDerWaalsContact CD2-CB 3.49Å; F242-A368 HydrophobicContact CE2-CB 4.08Å; F242-A368 HydrophobicContact CG-CB 3.55Å; S364-A368 VanDerWaalsContact O-CB 3.28Å; S364-A368 WeakPolarHBondContact O-CB 3.15Å; S364-A368 PolarHBondContact O-N 2.55Å; C365-A368 PolarHBondContact O-N 3.02Å; A368-Y372 WeakPolarHBondContact O-CB 3.48Å; A368-Y372 PolarHBondContact O-N 3.1Å; A368-Y372 VanDerWaalsContact O-N 3.12Å
369E94.1Very high92.9Very high3 Ų343.8 Ų43.81%0.01424%0.239CC..Hα-helixtrans-67.9-44.3176-66-136.8112.700112.1C243 K343 T346 L347 C365 I366 I367 Y372 L373C243-E369 PolarHBondContact SG-OE1 2.89Å; C243-E369 VanDerWaalsContact SG-OE1 3.32Å; K343-E369 IonicContact NZ-OE1 2.77Å; K343-E369 PolarHBondContact NZ-OE1 3.33Å; T346-E369 PolarHBondContact OG1-OE2 2.92Å; L347-E369 HydrophobicContact CD2-CB 3.79Å; L347-E369 HydrophobicContact CD2-CG 4.43Å; L347-E369 HydrophobicContact CG-CB 4.42Å; C365-E369 WeakPolarHBondContact O-CG 3.47Å; C365-E369 PolarHBondContact O-N 3.44Å; I366-E369 PolarHBondContact O-N 2.91Å; I367-E369 PolarHBondContact O-N 2.84Å; E369-Y372 PolarHBondContact O-N 3.2Å; E369-L373 PolarHBondContact O-N 2.9Å
370V95.1Very high93.4Very high48 Ų4841.3 Ų41.329%0.29123%0.227SC..Hα-helixtrans-68.1-45.4179.1170.90000111.3L347 I366 I367 Y372 L373 F374L347-V370 HydrophobicContact CD1-CG2 4.44Å; L347-V370 HydrophobicContact CD2-CG2 4.22Å; I366-V370 WeakPolarHBondContact O-CB 3.46Å; I366-V370 VanDerWaalsContact O-CG2 3.31Å; I366-V370 WeakPolarHBondContact O-CG2 3.44Å; I366-V370 PolarHBondContact O-N 3.32Å; I367-V370 PolarHBondContact O-N 2.75Å; V370-Y372 VanDerWaalsContact C-N 3.28Å; V370-Y372 PolarHBondContact O-N 3.45Å; V370-L373 PolarHBondContact O-N 3.47Å; V370-F374 HydrophobicContact CG1-CD2 3.82Å; V370-F374 HydrophobicContact CG1-CE2 3.61Å; V370-F374 WeakPolarHBondContact O-CD2 3.45Å; V370-F374 PolarHBondContact O-N 2.96Å; V370-F374 VanDerWaalsContact O-N 3.15Å
371C95.6Very high93.7Very high65 Ų6542.9 Ų42.944%0.43923%0.227SC..Hα-helixtrans-59.8-36.8175.2-74.90000112I367 F374 M375I367-C371 VanDerWaalsContact O-CB 3.22Å; I367-C371 WeakPolarHBondContact O-CB 3.37Å; I367-C371 PolarHBondContact O-N 3.25Å; I367-C371 PolarHBondContact O-SG 3.46Å; C371-F374 PolarHBondContact O-N 3.48Å; C371-M375 WeakPolarHBondContact O-CB 3.43Å; C371-M375 WeakPolarHBondContact O-CG 3.32Å; C371-M375 PolarHBondContact O-N 2.94Å
372Y95.1Very high94Very high3 Ų345.5 Ų45.51%0.01225%0.246CC..Hα-helixtrans-61.6-43.8176-178.2-100.6000112.7I235 H236 T239 M286 M339 A368 E369 V370 M375 W376I235-Y372 HydrophobicContact CG2-CD2 4.14Å; H236-Y372 HydrophobicContact CB-CE2 4.05Å; T239-Y372 HydrophobicContact CG2-CD1 4.26Å; T239-Y372 HydrophobicContact CG2-CD2 3.95Å; T239-Y372 HydrophobicContact CG2-CG 3.7Å; T239-Y372 WeakPolarHBondContact OG1-CB 3.3Å; T239-Y372 WeakPolarHBondContact OG1-CD2 3.37Å; M286-Y372 HydrophobicContact CE-CE1 4.29Å; M286-Y372 HydrophobicContact CE-CE2 4.25Å; M286-Y372 HydrophobicContact CG-CE1 4.35Å; M339-Y372 HydrophobicContact SD-CE1 3.7Å; A368-Y372 WeakPolarHBondContact O-CB 3.48Å; A368-Y372 PolarHBondContact O-N 3.1Å; A368-Y372 VanDerWaalsContact O-N 3.12Å; E369-Y372 PolarHBondContact O-N 3.2Å; V370-Y372 VanDerWaalsContact C-N 3.28Å; V370-Y372 PolarHBondContact O-N 3.45Å; Y372-M375 PolarHBondContact O-N 2.91Å; Y372-W376 PolarHBondContact O-N 3.42Å
373L95.3Very high94Very high26 Ų2645.7 Ų45.714%0.13625%0.246CC..Hα-helixtrans-63.1-42.1176.8-66.9173000111.7L336 M339 V340 E369 V370 W376 I377L336-L373 HydrophobicContact CD1-CD2 4.22Å; M339-L373 HydrophobicContact CB-CD2 4.23Å; V340-L373 HydrophobicContact CG2-CD1 4.46Å; V340-L373 HydrophobicContact CG2-CD2 4.18Å; E369-L373 PolarHBondContact O-N 2.9Å; V370-L373 PolarHBondContact O-N 3.47Å; L373-W376 PolarHBondContact O-N 2.74Å; L373-I377 WeakPolarHBondContact O-CG1 3.38Å; L373-I377 PolarHBondContact O-N 3.19Å
374F95.5Very high93.9Very high130 Ų13045 Ų4557%0.5725%0.245SC*.Hα-helixtrans-63.8-44.1173.1-78.5-66.1000112.6V370 C371 W376 I377 L378V370-F374 HydrophobicContact CG1-CD2 3.82Å; V370-F374 HydrophobicContact CG1-CE2 3.61Å; V370-F374 WeakPolarHBondContact O-CD2 3.45Å; V370-F374 PolarHBondContact O-N 2.96Å; V370-F374 VanDerWaalsContact O-N 3.15Å; C371-F374 PolarHBondContact O-N 3.48Å; F374-W376 VanDerWaalsContact C-N 3.3Å; F374-W376 PolarHBondContact O-N 3.5Å; F374-I377 PolarHBondContact O-N 2.93Å; F374-I377 VanDerWaalsContact O-N 3.14Å; F374-L378 WeakPolarHBondContact O-CG 3.29Å; F374-L378 PolarHBondContact O-N 2.97Å
375M94.8Very high93.6Very high86 Ų8650.1 Ų50.142%0.42427%0.27SS..Hα-helixtrans-65.7-31.2179.2-69.5-65.5-85.900112.4I235 C371 Y372 L378 L379I235-M375 HydrophobicContact CD1-CE 3.65Å; C371-M375 WeakPolarHBondContact O-CB 3.43Å; C371-M375 WeakPolarHBondContact O-CG 3.32Å; C371-M375 PolarHBondContact O-N 2.94Å; Y372-M375 PolarHBondContact O-N 2.91Å; M375-L378 HydrophobicContact SD-CD1 4.12Å; M375-L379 VanDerWaalsContact O-CB 3.28Å; M375-L379 WeakPolarHBondContact O-CB 3.35Å; M375-L379 PolarHBondContact O-N 2.99Å
376W95.6Very high93.3Very high4 Ų455 Ų552%0.01529%0.291CS..Hα-helixtrans-63.1-47.5169.4-177.6-100000111.8H232 A289 V293 A332 T335 M339 Y372 L373 F374 L378 L379 W380H232-W376 AromaticContact CE1-CE3 3.71Å; H232-W376 AromaticContact CE1-CZ3 3.74Å; H232-W376 AromaticContact NE2-CZ3 3.66Å; A289-W376 HydrophobicContact CB-CH2 3.65Å; A289-W376 HydrophobicContact CB-CZ2 4.29Å; A289-W376 HydrophobicContact CB-CZ3 3.8Å; A289-W376 WeakPolarHBondContact O-CH2 3.44Å; V293-W376 HydrophobicContact CG2-CH2 4.07Å; V293-W376 HydrophobicContact CG2-CZ3 3.86Å; A332-W376 HydrophobicContact CB-CZ2 4.27Å; A332-W376 PolarHBondContact O-NE1 3.25Å; T335-W376 WeakPolarHBondContact OG1-CZ2 3.37Å; M339-W376 HydrophobicContact CE-CD2 3.68Å; M339-W376 HydrophobicContact CE-CE3 4.31Å; M339-W376 HydrophobicContact CE-CG 3.79Å; M339-W376 HydrophobicContact CE-CZ2 4.19Å; Y372-W376 PolarHBondContact O-N 3.42Å; L373-W376 PolarHBondContact O-N 2.74Å; F374-W376 VanDerWaalsContact C-N 3.3Å; F374-W376 PolarHBondContact O-N 3.5Å; W376-L378 PolarHBondContact O-N 3.03Å; W376-L379 HydrophobicContact CE3-CD2 4.48Å; W376-L379 PolarHBondContact O-N 3.04Å; W376-W380 AromaticContact CD1-CD1 3.99Å; W376-W380 AromaticContact CD2-CD1 3.66Å; W376-W380 AromaticContact CD2-NE1 3.63Å; W376-W380 AromaticContact CE2-CD1 3.41Å; W376-W380 VanDerWaalsContact CE2-CD1 3.41Å; W376-W380 AromaticContact CE2-NE1 3.23Å; W376-W380 AromaticContact CE3-NE1 3.78Å; W376-W380 HydrophobicContact CH2-CZ2 4.24Å; W376-W380 AromaticContact CH2-NE1 3.22Å; W376-W380 AromaticContact CZ2-CD1 3.74Å; W376-W380 AromaticContact CZ2-CE2 3.92Å; W376-W380 HydrophobicContact CZ2-CZ2 4.4Å; W376-W380 AromaticContact CZ2-NE1 3.04Å; W376-W380 AromaticContact CZ3-NE1 3.58Å; W376-W380 AromaticContact NE1-CD1 3.62Å; W376-W380 AromaticContact NE1-NE1 3.88Å; W376-W380 VanDerWaalsContact O-CD1 3.27Å; W376-W380 PolarHBondContact O-N 2.77Å
377I95.2Very high92.4Very high85 Ų8561 Ų6144%0.43631%0.312SS..Hα-helixtrans-61.7-44.3177.6-65.4164.9000110.7L336 L373 F374 W380 L381L336-I377 HydrophobicContact CD2-CD1 4.4Å; L336-I377 HydrophobicContact CD2-CG1 3.96Å; L373-I377 WeakPolarHBondContact O-CG1 3.38Å; L373-I377 PolarHBondContact O-N 3.19Å; F374-I377 PolarHBondContact O-N 2.93Å; F374-I377 VanDerWaalsContact O-N 3.14Å; I377-W380 PolarHBondContact O-N 3.11Å; I377-L381 VanDerWaalsContact O-CB 3.32Å; I377-L381 WeakPolarHBondContact O-CB 3.44Å; I377-L381 PolarHBondContact O-N 3.29Å
378L95Very high91.5Very high90 Ų9063.6 Ų63.647%0.47133%0.327SS..Hα-helixtrans-65.5-37.5178-68.8173.5000112.9F374 M375 W376 S382F374-L378 WeakPolarHBondContact O-CG 3.29Å; F374-L378 PolarHBondContact O-N 2.97Å; M375-L378 HydrophobicContact SD-CD1 4.12Å; W376-L378 PolarHBondContact O-N 3.03Å; L378-S382 WeakPolarHBondContact O-CB 3.41Å; L378-S382 PolarHBondContact O-N 2.64Å; L378-S382 PolarHBondContact O-OG 2.8Å
379L94.8Very high90.8Very high20 Ų2063.7 Ų63.711%0.10532%0.324CS..Hα-helixtrans-60.1-52.1173.1174.763.7000110.6I228 H232 V293 M375 W376 L381 S382 L383I228-L379 HydrophobicContact CG2-CD1 3.92Å; H232-L379 HydrophobicContact CB-CD2 4.07Å; V293-L379 HydrophobicContact CG2-CD2 4.03Å; M375-L379 VanDerWaalsContact O-CB 3.28Å; M375-L379 WeakPolarHBondContact O-CB 3.35Å; M375-L379 PolarHBondContact O-N 2.99Å; W376-L379 HydrophobicContact CE3-CD2 4.48Å; W376-L379 PolarHBondContact O-N 3.04Å; L379-L381 PolarHBondContact O-N 2.98Å; L379-S382 WeakPolarHBondContact O-CB 3.33Å; L379-S382 PolarHBondContact O-N 3.18Å; L379-L383 HydrophobicContact CD1-CD1 4.17Å; L379-L383 HydrophobicContact CD1-CG 4.29Å; L379-L383 HydrophobicContact CG-CD1 4.21Å; L379-L383 WeakPolarHBondContact O-CG 3.03Å; L379-L383 PolarHBondContact O-N 3.07Å
380W94.1Very high90Very high17 Ų1769.8 Ų69.86%0.06436%0.356CS..Hα-helixtrans-71-31.4-177.7-76.399.7000113.4V292 V293 Y296 H329 A332 W376 I377 L383 T384V292-W380 HydrophobicContact CB-CZ2 4.32Å; V292-W380 HydrophobicContact CG1-CH2 3.79Å; V292-W380 HydrophobicContact CG1-CZ2 3.66Å; V293-W380 HydrophobicContact CG2-CZ2 3.98Å; Y296-W380 HydrophobicContact CD2-CH2 4.28Å; Y296-W380 AromaticContact CD2-CZ3 3.78Å; Y296-W380 HydrophobicContact CD2-CZ3 3.78Å; Y296-W380 HydrophobicContact CG-CH2 4.43Å; Y296-W380 HydrophobicContact CG-CZ3 4.36Å; H329-W380 AromaticContact ND1-CE3 3.95Å; A332-W380 HydrophobicContact CB-CD2 3.34Å; A332-W380 HydrophobicContact CB-CE3 3.63Å; A332-W380 HydrophobicContact CB-CG 3.86Å; A332-W380 HydrophobicContact CB-CH2 3.9Å; A332-W380 HydrophobicContact CB-CZ2 3.65Å; A332-W380 HydrophobicContact CB-CZ3 3.89Å; W376-W380 AromaticContact CD1-CD1 3.99Å; W376-W380 AromaticContact CD2-CD1 3.66Å; W376-W380 AromaticContact CD2-NE1 3.63Å; W376-W380 AromaticContact CE2-CD1 3.41Å; W376-W380 VanDerWaalsContact CE2-CD1 3.41Å; W376-W380 AromaticContact CE2-NE1 3.23Å; W376-W380 AromaticContact CE3-NE1 3.78Å; W376-W380 HydrophobicContact CH2-CZ2 4.24Å; W376-W380 AromaticContact CH2-NE1 3.22Å; W376-W380 AromaticContact CZ2-CD1 3.74Å; W376-W380 AromaticContact CZ2-CE2 3.92Å; W376-W380 HydrophobicContact CZ2-CZ2 4.4Å; W376-W380 AromaticContact CZ2-NE1 3.04Å; W376-W380 AromaticContact CZ3-NE1 3.58Å; W376-W380 AromaticContact NE1-CD1 3.62Å; W376-W380 AromaticContact NE1-NE1 3.88Å; W376-W380 VanDerWaalsContact O-CD1 3.27Å; W376-W380 PolarHBondContact O-N 2.77Å; I377-W380 PolarHBondContact O-N 3.11Å; W380-L383 HydrophobicContact CD2-CD1 4.35Å; W380-L383 HydrophobicContact CE3-CD1 4.19Å; W380-L383 HydrophobicContact CH2-CD1 4.45Å; W380-L383 HydrophobicContact CZ3-CD1 4.26Å; W380-L383 PolarHBondContact O-N 3.16Å; W380-T384 WeakPolarHBondContact O-CB 3.35Å; W380-T384 PolarHBondContact O-N 2.78Å; W380-T384 PolarHBondContact O-OG1 3.03Å
381L92.5Very high89.1Confident94 Ų9467.6 Ų67.649%0.49234%0.342SS..Hα-helixtrans-60.5-48.2167.7-177.763.3000110.6I377 L379 L383 T384 L385I377-L381 VanDerWaalsContact O-CB 3.32Å; I377-L381 WeakPolarHBondContact O-CB 3.44Å; I377-L381 PolarHBondContact O-N 3.29Å; L379-L381 PolarHBondContact O-N 2.98Å; L381-L383 PolarHBondContact O-N 3.37Å; L381-T384 WeakPolarHBondContact O-CB 3.45Å; L381-T384 PolarHBondContact O-N 3.18Å; L381-L385 HydrophobicContact CG-CD1 4.27Å; L381-L385 WeakPolarHBondContact O-CG 3.41Å; L381-L385 PolarHBondContact O-N 3.3Å
382S91.2Very high87.8Confident68 Ų6869.2 Ų69.248%0.47635%0.347SS..Hα-helixtrans-61.4-40.4178.2-59.10000112.9L378 L379 T384 L385 K386L378-S382 WeakPolarHBondContact O-CB 3.41Å; L378-S382 PolarHBondContact O-N 2.64Å; L378-S382 PolarHBondContact O-OG 2.8Å; L379-S382 WeakPolarHBondContact O-CB 3.33Å; L379-S382 PolarHBondContact O-N 3.18Å; S382-T384 VanDerWaalsContact C-N 3.29Å; S382-T384 PolarHBondContact O-N 2.93Å; S382-L385 PolarHBondContact O-N 2.79Å; S382-K386 WeakPolarHBondContact O-CB 3.29Å; S382-K386 PolarHBondContact O-N 3.5Å
383L90.6Very high86.3Confident5 Ų570.5 Ų70.53%0.02636%0.355CS..Hα-helixtrans-71.5-19174.1-66.3179.5000113.7F225 Y296 L379 W380 L381 W389F225-L383 HydrophobicContact CE2-CD2 4.36Å; Y296-L383 HydrophobicContact CD1-CD1 4.4Å; Y296-L383 HydrophobicContact CD1-CD2 4.42Å; Y296-L383 HydrophobicContact CE1-CB 4.48Å; Y296-L383 HydrophobicContact CE1-CD2 3.89Å; Y296-L383 HydrophobicContact CE2-CB 3.96Å; Y296-L383 HydrophobicContact CG-CD1 4.44Å; Y296-L383 PolarHBondContact OH-O 2.93Å; L379-L383 HydrophobicContact CD1-CD1 4.17Å; L379-L383 HydrophobicContact CD1-CG 4.29Å; L379-L383 HydrophobicContact CG-CD1 4.21Å; L379-L383 WeakPolarHBondContact O-CG 3.03Å; L379-L383 PolarHBondContact O-N 3.07Å; W380-L383 HydrophobicContact CD2-CD1 4.35Å; W380-L383 HydrophobicContact CE3-CD1 4.19Å; W380-L383 HydrophobicContact CH2-CD1 4.45Å; W380-L383 HydrophobicContact CZ3-CD1 4.26Å; W380-L383 PolarHBondContact O-N 3.16Å; L381-L383 PolarHBondContact O-N 3.37Å; L383-W389 HydrophobicContact CD2-CZ2 3.87Å
384T87.8Confident84.6Confident52 Ų5273.7 Ų73.732%0.31937%0.369SS..Hα-helixtrans-86.4-33174.9-55.70000112.2H329 W380 L381 S382 R387H329-T384 PolarHBondContact CE1-OG1 3.14Å; H329-T384 PolarHBondContact ND1-OG1 3.11Å; W380-T384 WeakPolarHBondContact O-CB 3.35Å; W380-T384 PolarHBondContact O-N 2.78Å; W380-T384 PolarHBondContact O-OG1 3.03Å; L381-T384 WeakPolarHBondContact O-CB 3.45Å; L381-T384 PolarHBondContact O-N 3.18Å; S382-T384 VanDerWaalsContact C-N 3.29Å; S382-T384 PolarHBondContact O-N 2.93Å; T384-R387 WeakPolarHBondContact O-CG 3.24Å; T384-R387 PolarHBondContact O-NE 3.34Å; T384-R387 VanDerWaalsContact O-NE 3.09Å
385L87.2Confident82.7Confident133 Ų13369.7 Ų69.770%0.69635%0.352SS*.Hα-helixtrans-73.1-51.5172.2-67.8172.1000110.9L381 S382 R387L381-L385 HydrophobicContact CG-CD1 4.27Å; L381-L385 WeakPolarHBondContact O-CG 3.41Å; L381-L385 PolarHBondContact O-N 3.3Å; S382-L385 PolarHBondContact O-N 2.79Å; L385-R387 PolarHBondContact O-N 3.47Å
386K86Confident80.7Confident103 Ų10367.5 Ų67.545%0.44835%0.345SS..  trans-84.178.5177-171.6167.6175.41750110.7Y296 S382 W389Y296-K386 PolarHBondContact OH-O 3.46Å; S382-K386 WeakPolarHBondContact O-CB 3.29Å; S382-K386 PolarHBondContact O-N 3.5Å; K386-W389 HydrophobicContact CB-CZ2 4.32Å; K386-W389 HydrophobicContact CD-CH2 3.81Å; K386-W389 HydrophobicContact CD-CZ2 3.6Å; K386-W389 HydrophobicContact CD-CZ3 4.41Å; K386-W389 HydrophobicContact CG-CZ2 3.89Å; K386-W389 PolarHBondContact O-NE1 3.02Å
387R76.4Confident78.5Confident145 Ų14568.5 Ų68.555%0.54735%0.352SS..  trans-72.9-33.7-177.6-62.2-177.9179.3-174.6-3.1113.3K300 T384 L385K300-R387 PolarHBondContact NZ-O 3.1Å; T384-R387 WeakPolarHBondContact O-CG 3.24Å; T384-R387 PolarHBondContact O-NE 3.34Å; T384-R387 VanDerWaalsContact O-NE 3.09Å; L385-R387 PolarHBondContact O-N 3.47Å
388D76.3Confident76.4Confident143 Ų14365.2 Ų65.277%0.76534%0.336SS*.  trans-99.3115-172.1-62.2-47.1000112.2
389W78.4Confident74.5Confident18 Ų1862.6 Ų62.67%0.06832%0.322CS..  trans-119108.4177.6-68.888.3000109.4A224 F225 I228 Y296 L383 K386 F391A224-W389 HydrophobicContact CB-CZ3 4.45Å; F225-W389 HydrophobicContact CB-CE3 3.87Å; F225-W389 HydrophobicContact CB-CH2 4.41Å; F225-W389 HydrophobicContact CB-CZ3 3.71Å; F225-W389 HydrophobicContact CD2-CD2 4.4Å; F225-W389 HydrophobicContact CD2-CE3 4.31Å; F225-W389 HydrophobicContact CD2-CH2 4.22Å; F225-W389 HydrophobicContact CD2-CZ2 4.32Å; F225-W389 HydrophobicContact CD2-CZ3 4.22Å; F225-W389 HydrophobicContact CG-CZ3 4.49Å; I228-W389 HydrophobicContact CD1-CH2 3.95Å; Y296-W389 AromaticContact CE1-NE1 3.77Å; Y296-W389 AromaticContact CZ-NE1 3.92Å; Y296-W389 PolarHBondContact OH-NE1 3.44Å; Y296-W389 VanDerWaalsContact OH-NE1 3.13Å; L383-W389 HydrophobicContact CD2-CZ2 3.87Å; K386-W389 HydrophobicContact CB-CZ2 4.32Å; K386-W389 HydrophobicContact CD-CH2 3.81Å; K386-W389 HydrophobicContact CD-CZ2 3.6Å; K386-W389 HydrophobicContact CD-CZ3 4.41Å; K386-W389 HydrophobicContact CG-CZ2 3.89Å; K386-W389 PolarHBondContact O-NE1 3.02Å; W389-F391 HydrophobicContact CB-CD2 3.99Å; W389-F391 HydrophobicContact CB-CE2 3.45Å; W389-F391 VanDerWaalsContact CB-CE2 3.45Å; W389-F391 HydrophobicContact CB-CZ 4.2Å; W389-F391 HydrophobicContact CG-CE2 4.36Å; W389-F391 WeakPolarHBondContact O-CD2 3.43Å; W389-F391 PolarHBondContact O-N 3.2Å
390I77.7Confident72.7Confident131 Ų13163.4 Ų63.467%0.67233%0.326SS*.  trans-73.8108.1172.8-57.5173.9000107.5N222N222-I390 PolarHBondContact ND2-O 3.02Å
391F75.6Confident70.7Confident1 Ų162.6 Ų62.60%0.00432%0.323CS..  trans-96.2127.3171.3-74.3-85.5000109.9F218 A221 N222 F225 K300 F301 K308 W389 V393F218-F391 HydrophobicContact CD1-CE1 4.08Å; A221-F391 HydrophobicContact CB-CD1 3.9Å; N222-F391 HydrophobicContact CB-CD1 3.57Å; N222-F391 HydrophobicContact CB-CE1 3.59Å; N222-F391 HydrophobicContact CB-CG 4.4Å; N222-F391 HydrophobicContact CB-CZ 4.41Å; F225-F391 HydrophobicContact CG-CZ 4.4Å; K300-F391 HydrophobicContact CB-CD2 4.47Å; K300-F391 HydrophobicContact CB-CE2 3.66Å; K300-F391 HydrophobicContact CB-CZ 4.43Å; F301-F391 HydrophobicContact CB-CD1 4.25Å; F301-F391 HydrophobicContact CB-CD2 4.31Å; F301-F391 HydrophobicContact CB-CE1 4.45Å; F301-F391 HydrophobicContact CB-CG 4.17Å; F301-F391 HydrophobicContact CD2-CB 3.83Å; F301-F391 AromaticContact CD2-CD1 3.93Å; F301-F391 HydrophobicContact CD2-CD1 3.93Å; F301-F391 AromaticContact CD2-CG 3.97Å; F301-F391 HydrophobicContact CD2-CG 3.97Å; F301-F391 HydrophobicContact CE2-CB 4.45Å; K308-F391 PolarHBondContact NZ-O 3.17Å; W389-F391 HydrophobicContact CB-CD2 3.99Å; W389-F391 HydrophobicContact CB-CE2 3.45Å; W389-F391 VanDerWaalsContact CB-CE2 3.45Å; W389-F391 HydrophobicContact CB-CZ 4.2Å; W389-F391 HydrophobicContact CG-CE2 4.36Å; W389-F391 WeakPolarHBondContact O-CD2 3.43Å; W389-F391 PolarHBondContact O-N 3.2Å; F391-V393 PolarHBondContact O-N 2.91Å
392N69.1Low69Low100 Ų10061.1 Ų61.154%0.53532%0.315SS..  trans-76.3122.6169.2-74.9-16.8000108.9A221A221-N392 WeakPolarHBondContact CA-O 3.37Å; A221-N392 PolarHBondContact O-N 3.11Å
393V63.4Low67.2Low29 Ų2962.9 Ų62.918%0.17632%0.319CS..  trans-105.6120.4172.9-1790000104.5F301 T305 K308 F391F301-V393 HydrophobicContact CE2-CG2 3.97Å; F301-V393 HydrophobicContact CZ-CG2 4.01Å; T305-V393 WeakPolarHBondContact OG1-CG2 3.32Å; K308-V393 HydrophobicContact CD-CG2 4.28Å; F391-V393 PolarHBondContact O-N 2.91Å
394Q59.2Low65.6Low93 Ų9367 Ų6744%0.43534%0.34SS..PPolyproline II helixtrans-91.1135.8169.2-58.5-176.8-89.500106.9
395H55.4Low64.2Low46 Ų4671.9 Ų71.921%0.21336%0.36CS..PPolyproline II helixtrans-103.1142.4172.3-67.4-75.9000107.8E399 I400H395-E399 HydrophobicContact CB-CB 4.18Å; H395-E399 IonicContact CE1-OE2 3.18Å; H395-E399 IonicContact CG-OE2 2.71Å; H395-E399 IonicContact ND1-OE2 2.72Å; H395-E399 PolarHBondContact ND1-OE2 2.88Å; H395-I400 HydrophobicContact CB-CD1 4.08Å; H395-I400 HydrophobicContact CB-CG1 3.56Å
396S53.8Low62.8Low41 Ų4166.9 Ų66.929%0.28733%0.334SS..PPolyproline II helixtrans-65.1157170.661.10000109.9S398 E399 I400S396-S398 WeakPolarHBondContact CB-OG 3.19Å; S396-S398 PolarHBondContact O-N 3.1Å; S396-S398 PolarHBondContact OG-OG 2.85Å; S396-E399 PolarHBondContact O-N 2.74Å; S396-E399 VanDerWaalsContact O-N 3.08Å; S396-E399 WeakPolarHBondContact OG-CB 3.44Å; S396-E399 PolarHBondContact OG-N 3.31Å; S396-I400 WeakPolarHBondContact O-CG1 3.36Å; S396-I400 PolarHBondContact O-N 3.41Å
397P48.2Very low61.4Low24 Ų2470 Ų7016%0.15634%0.343CS..Hα-helixtrans-57-39.3174.421.9-31.5000111.2I400 G401 I420 T470P397-I400 PolarHBondContact O-N 2.76Å; P397-G401 PolarHBondContact O-N 3.4Å; P397-I420 HydrophobicContact CB-CD1 4.36Å; P397-I420 WeakPolarHBondContact O-CD1 3.42Å; P397-T470 HydrophobicContact CB-CG2 4.03Å; P397-T470 HydrophobicContact CG-CG2 3.75Å
398S52.1Low60.6Low16 Ų1663.3 Ų63.311%0.11232%0.318CS..Hα-helixtrans-57.3-46.5171.7470000113.4S396 N402 C414 D416S396-S398 WeakPolarHBondContact CB-OG 3.19Å; S396-S398 PolarHBondContact O-N 3.1Å; S396-S398 PolarHBondContact OG-OG 2.85Å; S398-N402 WeakPolarHBondContact O-CB 3.09Å; S398-N402 PolarHBondContact O-N 3.34Å; S398-C414 WeakPolarHBondContact CA-O 3.13Å; S398-C414 WeakPolarHBondContact CB-O 3.4Å; S398-D416 VanDerWaalsContact CB-OD1 3.26Å; S398-D416 WeakPolarHBondContact CB-OD1 3.36Å; S398-D416 PolarHBondContact OG-OD1 2.91Å
399E55.4Low59.7Low36 Ų3662.4 Ų62.417%0.16831%0.313CS..Hα-helixtrans-64.9-38.7173.1-85.5-158.3176.300111.9K92 R309 H395 S396 L403K92-E399 WeakPolarHBondContact CD-OE1 3.3Å; K92-E399 WeakPolarHBondContact CE-OE1 3.44Å; K92-E399 IonicContact NZ-OE1 2.62Å; K92-E399 PolarHBondContact NZ-OE1 2.96Å; R309-E399 IonicContact NH2-OE1 3.06Å; R309-E399 IonicContact NH2-OE2 3.98Å; H395-E399 HydrophobicContact CB-CB 4.18Å; H395-E399 IonicContact CE1-OE2 3.18Å; H395-E399 IonicContact CG-OE2 2.71Å; H395-E399 IonicContact ND1-OE2 2.72Å; H395-E399 PolarHBondContact ND1-OE2 2.88Å; S396-E399 PolarHBondContact O-N 2.74Å; S396-E399 VanDerWaalsContact O-N 3.08Å; S396-E399 WeakPolarHBondContact OG-CB 3.44Å; S396-E399 PolarHBondContact OG-N 3.31Å; E399-L403 WeakPolarHBondContact O-CB 3.25Å; E399-L403 WeakPolarHBondContact O-CD1 3.49Å; E399-L403 WeakPolarHBondContact O-CG 3.16Å; E399-L403 PolarHBondContact O-N 3.37Å
400I56.8Low58.8Low36 Ų3667.6 Ų67.619%0.18534%0.338CS..Hα-helixtrans-66.5-45179.2-67.1168.5000110.6H395 S396 P397 L403 L404 F422H395-I400 HydrophobicContact CB-CD1 4.08Å; H395-I400 HydrophobicContact CB-CG1 3.56Å; S396-I400 WeakPolarHBondContact O-CG1 3.36Å; S396-I400 PolarHBondContact O-N 3.41Å; P397-I400 PolarHBondContact O-N 2.76Å; I400-L403 PolarHBondContact O-N 2.73Å; I400-L404 HydrophobicContact CG2-CD1 3.8Å; I400-L404 WeakPolarHBondContact O-CB 3.35Å; I400-L404 WeakPolarHBondContact O-CD1 3.43Å; I400-L404 VanDerWaalsContact O-CG 3.27Å; I400-L404 WeakPolarHBondContact O-CG 3.33Å; I400-L404 PolarHBondContact O-N 3.05Å; I400-F422 HydrophobicContact CG2-CZ 3.91Å
401G51.5Low57.9Low0 Ų063.4 Ų63.40%033%0.328CS..Hα-helixtrans-60.4-50.3176.200000111.5P397 L403 L404 E405 L406P397-G401 PolarHBondContact O-N 3.4Å; G401-L403 VanDerWaalsContact C-N 3.35Å; G401-L403 PolarHBondContact O-N 3.33Å; G401-L404 CarbonylContact O-C 3.46Å; G401-L404 PolarHBondContact O-N 2.78Å; G401-L404 VanDerWaalsContact O-N 3.1Å; G401-E405 PolarHBondContact O-N 2.98Å; G401-E405 VanDerWaalsContact O-N 3.12Å; G401-L406 WeakPolarHBondContact O-CB 3.47Å; G401-L406 PolarHBondContact O-N 2.92Å
402N57.5Low57.1Low63 Ų6370.5 Ų70.534%0.33735%0.354SS..Hα-helixtrans-68.9-29.6179.2-67.5-0.4000112.8S398 L404 E405 C414S398-N402 WeakPolarHBondContact O-CB 3.09Å; S398-N402 PolarHBondContact O-N 3.34Å; N402-L404 VanDerWaalsContact C-N 3.29Å; N402-E405 PolarHBondContact O-N 3.11Å; N402-C414 PolarHBondContact OD1-N 2.82Å
403L53.3Low56.7Low106 Ų10672.1 Ų72.156%0.55536%0.359SS*.Hα-helixtrans-69.9-23.9171.1-85.2164.8000113.5E399 I400 G401E399-L403 WeakPolarHBondContact O-CB 3.25Å; E399-L403 WeakPolarHBondContact O-CD1 3.49Å; E399-L403 WeakPolarHBondContact O-CG 3.16Å; E399-L403 PolarHBondContact O-N 3.37Å; I400-L403 PolarHBondContact O-N 2.73Å; G401-L403 VanDerWaalsContact C-N 3.35Å; G401-L403 PolarHBondContact O-N 3.33Å
404L57.5Low56.4Low90 Ų9071 Ų7147%0.47135%0.352SS..THydrogen-bonded Turntrans-97.78.1175.6-69169.6000112I400 G401 N402 L406 F422 A427I400-L404 HydrophobicContact CG2-CD1 3.8Å; I400-L404 WeakPolarHBondContact O-CB 3.35Å; I400-L404 WeakPolarHBondContact O-CD1 3.43Å; I400-L404 VanDerWaalsContact O-CG 3.27Å; I400-L404 WeakPolarHBondContact O-CG 3.33Å; I400-L404 PolarHBondContact O-N 3.05Å; G401-L404 CarbonylContact O-C 3.46Å; G401-L404 PolarHBondContact O-N 2.78Å; G401-L404 VanDerWaalsContact O-N 3.1Å; N402-L404 VanDerWaalsContact C-N 3.29Å; L404-L406 HydrophobicContact CB-CD1 4.19Å; L404-L406 HydrophobicContact CB-CD2 4.42Å; L404-L406 HydrophobicContact CB-CG 3.77Å; L404-L406 HydrophobicContact CD1-CD1 4.23Å; L404-L406 PolarHBondContact O-N 2.95Å; L404-L406 VanDerWaalsContact O-N 3.08Å; L404-F422 HydrophobicContact CD1-CE1 3.79Å; L404-F422 HydrophobicContact CD1-CZ 4.08Å; L404-A427 HydrophobicContact CD1-CB 4.46Å
405E58Low56.3Low156 Ų15668.7 Ų68.773%0.72935%0.346SS*.THydrogen-bonded Turntrans49.626.3-171.6-59.4-165.9166.600114.6G401 N402 R407G401-E405 PolarHBondContact O-N 2.98Å; G401-E405 VanDerWaalsContact O-N 3.12Å; N402-E405 PolarHBondContact O-N 3.11Å; E405-R407 PolarHBondContact O-N 3Å
406L56.8Low56.5Low28 Ų2871.4 Ų71.415%0.14736%0.362CS..  trans-67.9107.5176.3-60.1-178.6000109.5G401 L404 C414 I420 A427G401-L406 WeakPolarHBondContact O-CB 3.47Å; G401-L406 PolarHBondContact O-N 2.92Å; L404-L406 HydrophobicContact CB-CD1 4.19Å; L404-L406 HydrophobicContact CB-CD2 4.42Å; L404-L406 HydrophobicContact CB-CG 3.77Å; L404-L406 HydrophobicContact CD1-CD1 4.23Å; L404-L406 PolarHBondContact O-N 2.95Å; L404-L406 VanDerWaalsContact O-N 3.08Å; L406-C414 PolarHBondContact O-SG 3.31Å; L406-I420 HydrophobicContact CD1-CG2 3.82Å; L406-A427 HydrophobicContact CD1-CB 3.62Å; L406-A427 HydrophobicContact CD2-CB 4.12Å; L406-A427 VanDerWaalsContact CD2-O 3.27Å; L406-A427 WeakPolarHBondContact CD2-O 3.24Å; L406-A427 HydrophobicContact CG-CB 4.46Å
407R57.8Low56.8Low168 Ų16872.4 Ų72.463%0.63437%0.373SS*.BIsolated β-bridgetrans-78.7144.8158.6-70.9178.3174.581.55.1109.2E405 G411 R412 S429E405-R407 PolarHBondContact O-N 3Å; R407-G411 WeakPolarHBondContact CD-O 3.33Å; R407-R412 CarbonylContact C-O 3.59Å; R407-R412 VanDerWaalsContact CA-O 3.24Å; R407-R412 WeakPolarHBondContact CA-O 3.19Å; R407-S429 VanDerWaalsContact C-OG 3.23Å; R407-S429 PolarHBondContact O-OG 3.45Å
408T58.3Low57.5Low5 Ų571.8 Ų71.83%0.03137%0.369CS..  trans-72.8168.6167.266.30000109.9E410 G411 R412 S429 D431T408-E410 PolarHBondContact O-N 3.19Å; T408-G411 WeakPolarHBondContact O-CA 3.36Å; T408-G411 PolarHBondContact O-N 3.08Å; T408-R412 PolarHBondContact N-O 3.47Å; T408-S429 WeakPolarHBondContact CA-O 3.35Å; T408-S429 WeakPolarHBondContact CA-OG 3.39Å; T408-S429 WeakPolarHBondContact CG2-OG 3.37Å; T408-S429 PolarHBondContact N-OG 2.8Å; T408-D431 WeakPolarHBondContact CB-OD2 3.38Å; T408-D431 HydrophobicContact CG2-CB 4.49Å; T408-D431 WeakPolarHBondContact CG2-OD2 3.32Å; T408-D431 PolarHBondContact OG1-OD2 2.82Å
409D58.2Low58.2Low123 Ų12373.6 Ų73.666%0.65838%0.377SS*.THydrogen-bonded Turntrans-55.1-21.9-174.8-154.137.7000114Q435D409-Q435 PolarHBondContact OD2-NE2 2.9Å
410E59.1Low58.6Low127 Ų12773.1 Ų73.159%0.59338%0.376SS*.THydrogen-bonded Turntrans-91.712.1173.5-63-171.8-17100114.3T408 R412T408-E410 PolarHBondContact O-N 3.19Å; E410-R412 VanDerWaalsContact C-N 3.26Å; E410-R412 HydrophobicContact CB-CG 4.13Å; E410-R412 PolarHBondContact O-N 3.29Å; E410-R412 IonicContact OE2-CZ 2.7Å; E410-R412 IonicContact OE2-NE 3.51Å; E410-R412 PolarHBondContact OE2-NE 2.88Å; E410-R412 IonicContact OE2-NH2 2.72Å; E410-R412 PolarHBondContact OE2-NH2 2.83Å
411G59.2Low59Low44 Ų4474 Ų7445%0.45438%0.382SS..SBendtrans75.64.9-178.600000115.5R407 T408R407-G411 WeakPolarHBondContact CD-O 3.33Å; T408-G411 WeakPolarHBondContact O-CA 3.36Å; T408-G411 PolarHBondContact O-N 3.08Å
412R58.7Low59.6Low150 Ų15080 Ų8057%0.56641%0.409SS*.  trans-81.3158-176.9-52.1-178.8-167.8-125.46.3111.8R407 T408 E410R407-R412 CarbonylContact C-O 3.59Å; R407-R412 VanDerWaalsContact CA-O 3.24Å; R407-R412 WeakPolarHBondContact CA-O 3.19Å; T408-R412 PolarHBondContact N-O 3.47Å; E410-R412 VanDerWaalsContact C-N 3.26Å; E410-R412 HydrophobicContact CB-CG 4.13Å; E410-R412 PolarHBondContact O-N 3.29Å; E410-R412 IonicContact OE2-CZ 2.7Å; E410-R412 IonicContact OE2-NE 3.51Å; E410-R412 PolarHBondContact OE2-NE 2.88Å; E410-R412 IonicContact OE2-NH2 2.72Å; E410-R412 PolarHBondContact OE2-NH2 2.83Å
413E60.8Low59.3Low134 Ų13480.6 Ų80.663%0.62642%0.418SS*.BIsolated β-bridgetrans-64.6150.8168.1-65.5-174.6-179.300111.2S415E413-S415 PolarHBondContact O-N 2.72Å
414C56.6Low58.9Low5 Ų585 Ų853%0.03443%0.432CS..  trans-64.6108.6-177.6-79.50000111.9S398 N402 L406 S429S398-C414 WeakPolarHBondContact CA-O 3.13Å; S398-C414 WeakPolarHBondContact CB-O 3.4Å; N402-C414 PolarHBondContact OD1-N 2.82Å; L406-C414 PolarHBondContact O-SG 3.31Å; C414-S429 VanDerWaalsContact SG-CB 3.5Å; C414-S429 PolarHBondContact SG-OG 2.83Å; C414-S429 VanDerWaalsContact SG-OG 3.37Å
415S57.9Low58.8Low44 Ų4489.5 Ų89.531%0.30845%0.451SS..  trans-70.4164.1174.2810000112.1E413 A417 S418 D431E413-S415 PolarHBondContact O-N 2.72Å; S415-A417 PolarHBondContact O-N 3.47Å; S415-A417 VanDerWaalsContact O-N 3.12Å; S415-A417 PolarHBondContact OG-N 3.13Å; S415-A417 VanDerWaalsContact OG-N 3.11Å; S415-S418 VanDerWaalsContact O-CB 3.3Å; S415-S418 WeakPolarHBondContact O-CB 3.43Å; S415-S418 PolarHBondContact O-N 3.2Å; S415-S418 PolarHBondContact O-OG 2.85Å; S415-S418 PolarHBondContact OG-N 3.49Å; S415-D431 WeakPolarHBondContact CB-OD1 3.11Å; S415-D431 PolarHBondContact OG-OD1 3.15Å
416D59Low58.6Low103 Ų10387.2 Ų87.255%0.55144%0.443SS*.THydrogen-bonded Turntrans-65.5-9.2170.2-69-34.9000113.2S398S398-D416 VanDerWaalsContact CB-OD1 3.26Å; S398-D416 WeakPolarHBondContact CB-OD1 3.36Å; S398-D416 PolarHBondContact OG-OD1 2.91Å
417A60.3Low58.7Low63 Ų6387 Ų8752%0.52145%0.446SS..THydrogen-bonded Turntrans-97.4-2.4171.400000113.1S415 K436S415-A417 PolarHBondContact O-N 3.47Å; S415-A417 VanDerWaalsContact O-N 3.12Å; S415-A417 PolarHBondContact OG-N 3.13Å; S415-A417 VanDerWaalsContact OG-N 3.11Å; A417-K436 VanDerWaalsContact O-CE 3.25Å; A417-K436 WeakPolarHBondContact O-CE 3.44Å; A417-K436 PolarHBondContact O-NZ 3.32Å
418S62.4Low59Low10 Ų1084.8 Ų84.87%0.0744%0.441CS..  trans-70.8132.2-17965.80000111.6S415 T430 D431S415-S418 VanDerWaalsContact O-CB 3.3Å; S415-S418 WeakPolarHBondContact O-CB 3.43Å; S415-S418 PolarHBondContact O-N 3.2Å; S415-S418 PolarHBondContact O-OG 2.85Å; S415-S418 PolarHBondContact OG-N 3.49Å; S418-T430 WeakPolarHBondContact CA-O 3.39Å; S418-D431 WeakPolarHBondContact CB-OD1 3.26Å
419L66.4Low59.5Low54 Ų5485.1 Ų85.128%0.28344%0.443SS..EExtended strand (participates in β ladder)trans-88.8113.8171.5176.765.1000108.6V421 S429 T430 K436 I439L419-V421 HydrophobicContact CD2-CG2 4.32Å; L419-V421 HydrophobicContact CG-CG2 4.12Å; L419-S429 WeakPolarHBondContact O-CA 3.47Å; L419-T430 HydrophobicContact CB-CG2 4.12Å; L419-T430 PolarHBondContact N-O 3.39Å; L419-T430 PolarHBondContact O-N 3Å; L419-K436 HydrophobicContact CB-CD 4.27Å; L419-K436 HydrophobicContact CB-CG 3.83Å; L419-K436 HydrophobicContact CD2-CB 4.18Å; L419-K436 HydrophobicContact CD2-CG 4.06Å; L419-I439 HydrophobicContact CD2-CB 4.37Å; L419-I439 HydrophobicContact CD2-CD1 4.3Å; L419-I439 HydrophobicContact CD2-CG2 4.18Å
420I65Low59.8Low27 Ų2779.5 Ų79.514%0.13841%0.414CS..EExtended strand (participates in β ladder)trans-98120.9175.4-55.4179.9000109.6P397 L406 F422 F428P397-I420 HydrophobicContact CB-CD1 4.36Å; P397-I420 WeakPolarHBondContact O-CD1 3.42Å; L406-I420 HydrophobicContact CD1-CG2 3.82Å; I420-F422 HydrophobicContact CB-CE2 4.33Å; I420-F422 HydrophobicContact CG2-CD2 4.16Å; I420-F422 HydrophobicContact CG2-CE1 4.43Å; I420-F422 HydrophobicContact CG2-CE2 3.54Å; I420-F422 HydrophobicContact CG2-CZ 3.69Å; I420-F428 CarbonylContact C-O 3.56Å; I420-F428 VanDerWaalsContact CA-O 3.31Å; I420-F428 WeakPolarHBondContact CA-O 3.45Å
421V65Low60.2Low54 Ų5475.3 Ų75.333%0.32740%0.395SS..EExtended strand (participates in β ladder)trans-108.9118.4-179.4-177.70000109.3L419 A427 F428 I439L419-V421 HydrophobicContact CD2-CG2 4.32Å; L419-V421 HydrophobicContact CG-CG2 4.12Å; V421-A427 WeakPolarHBondContact O-CA 3.49Å; V421-F428 PolarHBondContact N-O 3.22Å; V421-F428 PolarHBondContact O-N 3.29Å; V421-I439 HydrophobicContact CG2-CD1 4.35Å; V421-I439 HydrophobicContact CG2-CG2 4.19Å
422F64.7Low60.5Low127 Ų12775.1 Ų75.156%0.55739%0.387SS*.EExtended strand (participates in β ladder)trans-96.1111.9176.4-68.2-85.5000111.2I400 L404 I420 A427I400-F422 HydrophobicContact CG2-CZ 3.91Å; L404-F422 HydrophobicContact CD1-CE1 3.79Å; L404-F422 HydrophobicContact CD1-CZ 4.08Å; I420-F422 HydrophobicContact CB-CE2 4.33Å; I420-F422 HydrophobicContact CG2-CD2 4.16Å; I420-F422 HydrophobicContact CG2-CE1 4.43Å; I420-F422 HydrophobicContact CG2-CE2 3.54Å; I420-F422 HydrophobicContact CG2-CZ 3.69Å; F422-A427 HydrophobicContact CD1-CB 3.67Å; F422-A427 HydrophobicContact CE1-CB 3.64Å; F422-A427 HydrophobicContact CZ-CB 4.47Å
423S49.7Very low61.1Low75 Ų7574.1 Ų74.152%0.52439%0.389SS..  trans-89.2170.3155.7-170.50000109.7E425 L426S423-E425 PolarHBondContact O-N 3.25Å; S423-L426 CarbonylContact C-O 3.44Å; S423-L426 WeakPolarHBondContact CA-O 3.41Å; S423-L426 WeakPolarHBondContact CB-O 3.18Å; S423-L426 PolarHBondContact N-O 3.49Å; S423-L426 PolarHBondContact O-N 3.47Å
424K46Very low61.6Low197 Ų19778.2 Ų78.286%0.85740%0.399SS*.SBendtrans-52.3-36.7-167.9-69.9-179.6177.5176.90115
425E56Low62.2Low186 Ų18681.1 Ų81.187%0.86941%0.412SS*.SBendtrans-130.80.8-174.7-66.8170.5-166.900112.2S423S423-E425 PolarHBondContact O-N 3.25Å
426L52.1Low62.9Low107 Ų10780 Ų8056%0.5640%0.401SS*.  trans-138.4126.7-171.5-65.1171.9000109.7S423 F428S423-L426 CarbonylContact C-O 3.44Å; S423-L426 WeakPolarHBondContact CA-O 3.41Å; S423-L426 WeakPolarHBondContact CB-O 3.18Å; S423-L426 PolarHBondContact N-O 3.49Å; S423-L426 PolarHBondContact O-N 3.47Å; L426-F428 HydrophobicContact CB-CE2 3.71Å; L426-F428 HydrophobicContact CB-CZ 3.92Å; L426-F428 HydrophobicContact CD1-CE2 4.38Å; L426-F428 HydrophobicContact CD1-CZ 3.97Å
427A60.1Low63.5Low25 Ų2577.8 Ų77.821%0.20740%0.398CS..EExtended strand (participates in β ladder)trans-106.4137.8168.400000109.3L404 L406 V421 F422L404-A427 HydrophobicContact CD1-CB 4.46Å; L406-A427 HydrophobicContact CD1-CB 3.62Å; L406-A427 HydrophobicContact CD2-CB 4.12Å; L406-A427 VanDerWaalsContact CD2-O 3.27Å; L406-A427 WeakPolarHBondContact CD2-O 3.24Å; L406-A427 HydrophobicContact CG-CB 4.46Å; V421-A427 WeakPolarHBondContact O-CA 3.49Å; F422-A427 HydrophobicContact CD1-CB 3.67Å; F422-A427 HydrophobicContact CE1-CB 3.64Å; F422-A427 HydrophobicContact CZ-CB 4.47Å
428F63.4Low64.1Low120 Ų12077.4 Ų77.453%0.52639%0.394SS..EExtended strand (participates in β ladder)trans-123.2148.4177.1-58.7-84.6000108.9I420 V421 L426I420-F428 CarbonylContact C-O 3.56Å; I420-F428 VanDerWaalsContact CA-O 3.31Å; I420-F428 WeakPolarHBondContact CA-O 3.45Å; V421-F428 PolarHBondContact N-O 3.22Å; V421-F428 PolarHBondContact O-N 3.29Å; L426-F428 HydrophobicContact CB-CE2 3.71Å; L426-F428 HydrophobicContact CB-CZ 3.92Å; L426-F428 HydrophobicContact CD1-CE2 4.38Å; L426-F428 HydrophobicContact CD1-CZ 3.97Å
429S68.1Low64.5Low12 Ų1279.8 Ų79.88%0.08441%0.406CS..EExtended strand (participates in β ladder)trans-130.4140.8177.469.90000111.4R407 T408 C414 L419R407-S429 VanDerWaalsContact C-OG 3.23Å; R407-S429 PolarHBondContact O-OG 3.45Å; T408-S429 WeakPolarHBondContact CA-O 3.35Å; T408-S429 WeakPolarHBondContact CA-OG 3.39Å; T408-S429 WeakPolarHBondContact CG2-OG 3.37Å; T408-S429 PolarHBondContact N-OG 2.8Å; C414-S429 VanDerWaalsContact SG-CB 3.5Å; C414-S429 PolarHBondContact SG-OG 2.83Å; C414-S429 VanDerWaalsContact SG-OG 3.37Å; L419-S429 WeakPolarHBondContact O-CA 3.47Å
430T66.1Low64.7Low6 Ų680.9 Ų80.94%0.03741%0.411CS..EExtended strand (participates in β ladder)trans-140.8129.1176.4-178.70000112.8S418 L419 S432 Q435 K436 I439S418-T430 WeakPolarHBondContact CA-O 3.39Å; L419-T430 HydrophobicContact CB-CG2 4.12Å; L419-T430 PolarHBondContact N-O 3.39Å; L419-T430 PolarHBondContact O-N 3Å; T430-S432 PolarHBondContact OG1-N 3.04Å; T430-S432 VanDerWaalsContact OG1-N 3.1Å; T430-Q435 HydrophobicContact CG2-CB 4.15Å; T430-Q435 PolarHBondContact OG1-OE1 3.34Å; T430-K436 HydrophobicContact CG2-CG 4.16Å; T430-K436 WeakPolarHBondContact O-CE 3.37Å; T430-I439 HydrophobicContact CG2-CD1 4.01Å
431D67.8Low65.1Low38 Ų3885.8 Ų85.820%0.20343%0.431CS..  trans-85.2-14.5168.3-71.7-49.2000112.4T408 S415 S418 E433 K436T408-D431 WeakPolarHBondContact CB-OD2 3.38Å; T408-D431 HydrophobicContact CG2-CB 4.49Å; T408-D431 WeakPolarHBondContact CG2-OD2 3.32Å; T408-D431 PolarHBondContact OG1-OD2 2.82Å; S415-D431 WeakPolarHBondContact CB-OD1 3.11Å; S415-D431 PolarHBondContact OG-OD1 3.15Å; S418-D431 WeakPolarHBondContact CB-OD1 3.26Å; D431-E433 PolarHBondContact O-N 3.09Å; D431-K436 WeakPolarHBondContact O-CE 3.31Å; D431-K436 PolarHBondContact O-NZ 3.45Å
432S65Low65.3Low41 Ų4188.2 Ų88.229%0.28744%0.439SS..  trans-77.4112.7-1701800000112.4T430 R434 Q435 K436T430-S432 PolarHBondContact OG1-N 3.04Å; T430-S432 VanDerWaalsContact OG1-N 3.1Å; S432-R434 PolarHBondContact O-N 3.1Å; S432-R434 VanDerWaalsContact O-N 3.11Å; S432-Q435 WeakPolarHBondContact O-CA 3.43Å; S432-Q435 PolarHBondContact O-N 3.43Å; S432-K436 WeakPolarHBondContact O-CG 3.48Å; S432-K436 PolarHBondContact O-N 2.92Å
433E71.7Confident65.4Low129 Ų12984.5 Ų84.560%0.60343%0.427SS*.Hα-helixtrans-51.9-34.9177.1-69.2-54.1128.200113.4D431 K436 A437D431-E433 PolarHBondContact O-N 3.09Å; E433-K436 IonicContact OE1-NZ 3.85Å; E433-K436 PolarHBondContact OE1-NZ 2.86Å; E433-A437 VanDerWaalsContact O-CB 3.24Å; E433-A437 WeakPolarHBondContact O-CB 3.1Å; E433-A437 PolarHBondContact O-N 2.88Å
434R71.3Confident66.2Low219 Ų21986.3 Ų86.383%0.82643%0.427SS*.Hα-helixtrans-66-41.2175.8-67.7-176.1179.1-1790.6111.9S432 A438S432-R434 PolarHBondContact O-N 3.1Å; S432-R434 VanDerWaalsContact O-N 3.11Å; R434-A438 WeakPolarHBondContact O-CB 3.27Å; R434-A438 PolarHBondContact O-N 3.33Å
435Q68.6Low67.3Low67 Ų6783.2 Ų83.231%0.31341%0.413SS..Hα-helixtrans-72.3-41.8176.8-67.2179-5.500111.3D409 T430 S432 A437 A438 I439D409-Q435 PolarHBondContact OD2-NE2 2.9Å; T430-Q435 HydrophobicContact CG2-CB 4.15Å; T430-Q435 PolarHBondContact OG1-OE1 3.34Å; S432-Q435 WeakPolarHBondContact O-CA 3.43Å; S432-Q435 PolarHBondContact O-N 3.43Å; Q435-A437 PolarHBondContact O-N 3.1Å; Q435-A438 PolarHBondContact O-N 3.08Å; Q435-I439 WeakPolarHBondContact O-CB 3.5Å; Q435-I439 WeakPolarHBondContact O-CD1 3.25Å; Q435-I439 VanDerWaalsContact O-CG1 3.25Å; Q435-I439 WeakPolarHBondContact O-CG1 3.28Å; Q435-I439 PolarHBondContact O-N 2.92Å
436K72.1Confident67.3Low19 Ų1977.1 Ų77.18%0.08339%0.391CS..Hα-helixtrans-55.2-51.8172.6-63.3175.7-156.9166.70111A417 L419 T430 D431 S432 E433 A438 I439 I440A417-K436 VanDerWaalsContact O-CE 3.25Å; A417-K436 WeakPolarHBondContact O-CE 3.44Å; A417-K436 PolarHBondContact O-NZ 3.32Å; L419-K436 HydrophobicContact CB-CD 4.27Å; L419-K436 HydrophobicContact CB-CG 3.83Å; L419-K436 HydrophobicContact CD2-CB 4.18Å; L419-K436 HydrophobicContact CD2-CG 4.06Å; T430-K436 HydrophobicContact CG2-CG 4.16Å; T430-K436 WeakPolarHBondContact O-CE 3.37Å; D431-K436 WeakPolarHBondContact O-CE 3.31Å; D431-K436 PolarHBondContact O-NZ 3.45Å; S432-K436 WeakPolarHBondContact O-CG 3.48Å; S432-K436 PolarHBondContact O-N 2.92Å; E433-K436 IonicContact OE1-NZ 3.85Å; E433-K436 PolarHBondContact OE1-NZ 2.86Å; K436-A438 VanDerWaalsContact C-N 3.34Å; K436-A438 PolarHBondContact O-N 3.39Å; K436-I439 PolarHBondContact O-N 2.99Å; K436-I440 WeakPolarHBondContact O-CB 3.5Å; K436-I440 WeakPolarHBondContact O-CD1 3.27Å; K436-I440 VanDerWaalsContact O-CG1 3.28Å; K436-I440 WeakPolarHBondContact O-CG1 3.47Å; K436-I440 PolarHBondContact O-N 2.87Å
437A72.6Confident67.5Low58 Ų5874 Ų7448%0.47939%0.385SS..Hα-helixtrans-61.6-39.1177.800000112.5E433 Q435 K441E433-A437 VanDerWaalsContact O-CB 3.24Å; E433-A437 WeakPolarHBondContact O-CB 3.1Å; E433-A437 PolarHBondContact O-N 2.88Å; Q435-A437 PolarHBondContact O-N 3.1Å; A437-K441 WeakPolarHBondContact O-CB 3.38Å; A437-K441 PolarHBondContact O-N 3.32Å
438A72.9Confident67.1Low54 Ų5483.2 Ų83.245%0.44642%0.415SS..Hα-helixtrans-65.5-46.5175.400000112.4R434 Q435 K436 K441 E442R434-A438 WeakPolarHBondContact O-CB 3.27Å; R434-A438 PolarHBondContact O-N 3.33Å; Q435-A438 PolarHBondContact O-N 3.08Å; K436-A438 VanDerWaalsContact C-N 3.34Å; K436-A438 PolarHBondContact O-N 3.39Å; A438-K441 PolarHBondContact O-N 2.83Å; A438-E442 WeakPolarHBondContact O-CB 3.39Å; A438-E442 PolarHBondContact O-N 3.21Å
439I70.4Confident66.6Low60 Ų6081.7 Ų81.731%0.30841%0.408SS..Hα-helixtrans-62-47.8177.5-68.3161.9000110.4L419 V421 T430 Q435 K436 K441 E442 V443L419-I439 HydrophobicContact CD2-CB 4.37Å; L419-I439 HydrophobicContact CD2-CD1 4.3Å; L419-I439 HydrophobicContact CD2-CG2 4.18Å; V421-I439 HydrophobicContact CG2-CD1 4.35Å; V421-I439 HydrophobicContact CG2-CG2 4.19Å; T430-I439 HydrophobicContact CG2-CD1 4.01Å; Q435-I439 WeakPolarHBondContact O-CB 3.5Å; Q435-I439 WeakPolarHBondContact O-CD1 3.25Å; Q435-I439 VanDerWaalsContact O-CG1 3.25Å; Q435-I439 WeakPolarHBondContact O-CG1 3.28Å; Q435-I439 PolarHBondContact O-N 2.92Å; K436-I439 PolarHBondContact O-N 2.99Å; I439-K441 VanDerWaalsContact C-N 3.34Å; I439-K441 PolarHBondContact O-N 3.42Å; I439-E442 PolarHBondContact O-N 3.46Å; I439-V443 HydrophobicContact CG2-CG2 4.47Å; I439-V443 WeakPolarHBondContact O-CB 3.11Å; I439-V443 VanDerWaalsContact O-CG2 3.31Å; I439-V443 WeakPolarHBondContact O-CG2 3.48Å; I439-V443 PolarHBondContact O-N 2.61Å
440I71Confident65.6Low77 Ų7790.9 Ų90.940%0.39545%0.447SS..Hα-helixtrans-59.9-44.9176.8-70.8160.5000110.7K436 E442 V443 Q444K436-I440 WeakPolarHBondContact O-CB 3.5Å; K436-I440 WeakPolarHBondContact O-CD1 3.27Å; K436-I440 VanDerWaalsContact O-CG1 3.28Å; K436-I440 WeakPolarHBondContact O-CG1 3.47Å; K436-I440 PolarHBondContact O-N 2.87Å; I440-E442 PolarHBondContact O-N 2.88Å; I440-V443 PolarHBondContact O-N 2.73Å; I440-Q444 WeakPolarHBondContact O-CB 3.31Å; I440-Q444 VanDerWaalsContact O-CG 3.26Å; I440-Q444 WeakPolarHBondContact O-CG 3.39Å; I440-Q444 PolarHBondContact O-N 2.94Å
441K73.6Confident64.5Low131 Ų13194.9 Ų94.957%0.5748%0.48SS*.Hα-helixtrans-63.8-37.3178-175.8174.4-175.3175.10112.5A437 A438 I439 K445A437-K441 WeakPolarHBondContact O-CB 3.38Å; A437-K441 PolarHBondContact O-N 3.32Å; A438-K441 PolarHBondContact O-N 2.83Å; I439-K441 VanDerWaalsContact C-N 3.34Å; I439-K441 PolarHBondContact O-N 3.42Å; K441-K445 WeakPolarHBondContact O-CB 3.15Å; K441-K445 VanDerWaalsContact O-CG 3.31Å; K441-K445 WeakPolarHBondContact O-CG 3.4Å; K441-K445 PolarHBondContact O-N 3.12Å
442E68.2Low63.2Low104 Ų10495.8 Ų95.849%0.48649%0.485SS..Hα-helixtrans-76.8-37.2178.5-151.459.7-139.100112.1A438 I439 I440 Q444 K445 S446A438-E442 WeakPolarHBondContact O-CB 3.39Å; A438-E442 PolarHBondContact O-N 3.21Å; I439-E442 PolarHBondContact O-N 3.46Å; I440-E442 PolarHBondContact O-N 2.88Å; E442-Q444 VanDerWaalsContact C-N 3.33Å; E442-Q444 PolarHBondContact O-N 3.05Å; E442-K445 PolarHBondContact O-N 3.1Å; E442-K445 WeakPolarHBondContact OE1-CD 3.46Å; E442-K445 IonicContact OE1-NZ 2.63Å; E442-K445 WeakPolarHBondContact OE2-CD 3.31Å; E442-K445 WeakPolarHBondContact OE2-CE 3.45Å; E442-K445 IonicContact OE2-NZ 2.79Å; E442-K445 PolarHBondContact OE2-NZ 3.06Å; E442-S446 WeakPolarHBondContact O-CB 3.41Å; E442-S446 PolarHBondContact O-N 3.42Å
443V66Low62Low49 Ų49101.2 Ų101.230%0.29751%0.51SS..Hα-helixtrans-59-44.6168.8169.10000110.7I439 I440 S446 F449I439-V443 HydrophobicContact CG2-CG2 4.47Å; I439-V443 WeakPolarHBondContact O-CB 3.11Å; I439-V443 VanDerWaalsContact O-CG2 3.31Å; I439-V443 WeakPolarHBondContact O-CG2 3.48Å; I439-V443 PolarHBondContact O-N 2.61Å; I440-V443 PolarHBondContact O-N 2.73Å; V443-S446 PolarHBondContact O-N 2.99Å; V443-S446 PolarHBondContact O-OG 2.81Å; V443-F449 HydrophobicContact CG1-CD2 4.12Å; V443-F449 HydrophobicContact CG1-CE2 4.14Å
444Q67.6Low60.6Low114 Ų114100.1 Ų100.153%0.53351%0.508SS..Hα-helixtrans-63.1-48.6175.7-76.2171.2-7.500112.5I440 E442 S446 L458I440-Q444 WeakPolarHBondContact O-CB 3.31Å; I440-Q444 VanDerWaalsContact O-CG 3.26Å; I440-Q444 WeakPolarHBondContact O-CG 3.39Å; I440-Q444 PolarHBondContact O-N 2.94Å; E442-Q444 VanDerWaalsContact C-N 3.33Å; E442-Q444 PolarHBondContact O-N 3.05Å; Q444-S446 VanDerWaalsContact C-N 3.27Å; Q444-S446 PolarHBondContact O-N 2.86Å; Q444-L458 HydrophobicContact CG-CD2 4.04Å
445K68Low59.3Low131 Ų13190.6 Ų90.657%0.5748%0.475SS*.Hα-helixtrans-57.9-36.6174.8-81.9167.6160-169.20113.2K441 E442 G447K441-K445 WeakPolarHBondContact O-CB 3.15Å; K441-K445 VanDerWaalsContact O-CG 3.31Å; K441-K445 WeakPolarHBondContact O-CG 3.4Å; K441-K445 PolarHBondContact O-N 3.12Å; E442-K445 PolarHBondContact O-N 3.1Å; E442-K445 WeakPolarHBondContact OE1-CD 3.46Å; E442-K445 IonicContact OE1-NZ 2.63Å; E442-K445 WeakPolarHBondContact OE2-CD 3.31Å; E442-K445 WeakPolarHBondContact OE2-CE 3.45Å; E442-K445 IonicContact OE2-NZ 2.79Å; E442-K445 PolarHBondContact OE2-NZ 3.06Å; K445-G447 PolarHBondContact O-N 3.39Å
446S57.6Low58Low58 Ų5891.4 Ų91.441%0.40648%0.475SS..THydrogen-bonded Turntrans-59.9-17.2-172.3770000114E442 V443 Q444 R448E442-S446 WeakPolarHBondContact O-CB 3.41Å; E442-S446 PolarHBondContact O-N 3.42Å; V443-S446 PolarHBondContact O-N 2.99Å; V443-S446 PolarHBondContact O-OG 2.81Å; Q444-S446 VanDerWaalsContact C-N 3.27Å; Q444-S446 PolarHBondContact O-N 2.86Å; S446-R448 PolarHBondContact O-N 3.05Å
447G54.5Low57Low42 Ų4297.8 Ų97.843%0.43350%0.499SS..  trans70.7-19.1167.400000116.4K445 F449K445-G447 PolarHBondContact O-N 3.39Å; G447-F449 PolarHBondContact O-N 3.08Å; G447-F449 VanDerWaalsContact O-N 3.16Å
448R52.5Low55.2Low219 Ų21998.6 Ų98.683%0.82650%0.495SS*.THydrogen-bonded Turntrans-69.9-8.9-174.1-68.7-176.4-176.9-160.10.3114.9S446S446-R448 PolarHBondContact O-N 3.05Å
449F52.7Low53.3Low87 Ų87103.7 Ų103.738%0.38251%0.507SS..THydrogen-bonded Turntrans-96.313-176.9-65.4-74.6000114.9V443 G447 A451 V455V443-F449 HydrophobicContact CG1-CD2 4.12Å; V443-F449 HydrophobicContact CG1-CE2 4.14Å; G447-F449 PolarHBondContact O-N 3.08Å; G447-F449 VanDerWaalsContact O-N 3.16Å; F449-A451 PolarHBondContact O-N 3.09Å; F449-V455 HydrophobicContact CD1-CG2 3.93Å
450K46.6Very low51.4Low206 Ų206106.4 Ų106.490%0.89653%0.529SS*.THydrogen-bonded Turntrans-65.20.4173-79-169.7174.4-174.70115.4
451A43.4Very low49.6Very low89 Ų89108.2 Ų108.274%0.73654%0.536SS*.THydrogen-bonded Turntrans-131.316.5-17000000114.7F449F449-A451 PolarHBondContact O-N 3.09Å
452L41.1Very low47.6Very low58 Ų58110.9 Ų110.930%0.30455%0.547SS..  trans-134.2110.8174.1-75.392.7000111.7D454 V455 A477L452-D454 HydrophobicContact CB-CB 4.38Å; L452-D454 HydrophobicContact CD2-CB 4.27Å; L452-D454 PolarHBondContact O-N 3.18Å; L452-V455 HydrophobicContact CB-CG2 4.07Å; L452-A477 HydrophobicContact CD2-CB 4.23Å
453D39.2Very low45.7Very low155 Ų155113.1 Ų113.183%0.82956%0.563SS**THydrogen-bonded Turntrans-64.2-11.1162.9-80.1-68.2000112.9V455D453-V455 VanDerWaalsContact C-N 3.32Å; D453-V455 PolarHBondContact O-N 3.32Å
454D42.6Very low44Very low105 Ų105116 Ų11656%0.56158%0.576SS**THydrogen-bonded Turntrans-73.1-13.4-178.3-60.5-52.7000114.7L452 Y456L452-D454 HydrophobicContact CB-CB 4.38Å; L452-D454 HydrophobicContact CD2-CB 4.27Å; L452-D454 PolarHBondContact O-N 3.18Å; D454-Y456 VanDerWaalsContact C-N 3.32Å; D454-Y456 PolarHBondContact O-N 3.39Å
455V43.9Very low42.2Very low20 Ų20118.3 Ų118.312%0.12159%0.591CS.*  trans-88.668.3-176-163.10000111.1F449 L452 D453 W457 L458F449-V455 HydrophobicContact CD1-CG2 3.93Å; L452-V455 HydrophobicContact CB-CG2 4.07Å; D453-V455 VanDerWaalsContact C-N 3.32Å; D453-V455 PolarHBondContact O-N 3.32Å; V455-W457 VanDerWaalsContact C-N 3.28Å; V455-W457 HydrophobicContact CG1-CD2 4.09Å; V455-W457 HydrophobicContact CG1-CH2 4.18Å; V455-W457 HydrophobicContact CG1-CZ2 3.58Å; V455-W457 PolarHBondContact O-N 2.91Å; V455-W457 VanDerWaalsContact O-N 3.08Å; V455-L458 HydrophobicContact CB-CD1 4.29Å; V455-L458 HydrophobicContact CG1-CD1 3.81Å; V455-L458 PolarHBondContact O-N 3.34Å; V455-L458 VanDerWaalsContact O-N 3.1Å
456Y42.1Very low40.4Very low83 Ų83120.8 Ų120.833%0.32561%0.605SS.*G310 helixtrans-58.2-28.5-164.779.6-80.7000115.9D454 L458 K459 Q469 T470 V471D454-Y456 VanDerWaalsContact C-N 3.32Å; D454-Y456 PolarHBondContact O-N 3.39Å; Y456-L458 PolarHBondContact O-N 2.91Å; Y456-K459 PolarHBondContact O-N 2.7Å; Y456-Q469 WeakPolarHBondContact CE2-O 3.41Å; Y456-Q469 PolarHBondContact OH-O 2.7Å; Y456-T470 WeakPolarHBondContact OH-CA 3.45Å; Y456-V471 HydrophobicContact CD1-CB 4Å; Y456-V471 HydrophobicContact CD1-CG2 4.3Å; Y456-V471 HydrophobicContact CE1-CB 3.7Å; Y456-V471 HydrophobicContact CE1-CG2 4.09Å; Y456-V471 PolarHBondContact OH-N 3.37Å
457W51.1Low39Very low153 Ų153120.6 Ų120.658%0.5860%0.603SS**G310 helixtrans-71.9-2.8179.262.876.2000114.6V455V455-W457 VanDerWaalsContact C-N 3.28Å; V455-W457 HydrophobicContact CG1-CD2 4.09Å; V455-W457 HydrophobicContact CG1-CH2 4.18Å; V455-W457 HydrophobicContact CG1-CZ2 3.58Å; V455-W457 PolarHBondContact O-N 2.91Å; V455-W457 VanDerWaalsContact O-N 3.08Å
458L34.9Very low37.8Very low76 Ų76124 Ų12440%0.39862%0.62SS.*G310 helixtrans-87-2.7170.8-94.2144.9000113.9Q444 V455 Y456 P460Q444-L458 HydrophobicContact CG-CD2 4.04Å; V455-L458 HydrophobicContact CB-CD1 4.29Å; V455-L458 HydrophobicContact CG1-CD1 3.81Å; V455-L458 PolarHBondContact O-N 3.34Å; V455-L458 VanDerWaalsContact O-N 3.1Å; Y456-L458 PolarHBondContact O-N 2.91Å; L458-P460 VanDerWaalsContact O-CD 3.29Å; L458-P460 WeakPolarHBondContact O-CD 3.37Å
459K31.4Very low36.9Very low161 Ų161118.4 Ų118.470%0.760%0.604SS**SBendtrans-84.9112.9167.4-81.6177.8175.9166.80110.2Y456 Q461Y456-K459 PolarHBondContact O-N 2.7Å; K459-Q461 PolarHBondContact O-N 2.89Å
460P31.5Very low36.1Very low117 Ų117116.9 Ų116.976%0.7660%0.601SS**  trans-71.4100.4170.729.5-33000109.2L458 K462L458-P460 VanDerWaalsContact O-CD 3.29Å; L458-P460 WeakPolarHBondContact O-CD 3.37Å; P460-K462 VanDerWaalsContact C-N 3.3Å; P460-K462 PolarHBondContact O-N 3.27Å
461Q32.9Very low35.5Very low115 Ų115111 Ų11154%0.53758%0.583SS.*  trans-6890.7170.3-173.4166.4-1.300108.7K459 N463 D464K459-Q461 PolarHBondContact O-N 2.89Å; Q461-N463 PolarHBondContact O-N 3.47Å; Q461-N463 VanDerWaalsContact O-N 3.14Å; Q461-D464 HydrophobicContact CG-CB 4.23Å; Q461-D464 PolarHBondContact NE2-OD2 2.9Å
462K31.4Very low35Very low186 Ų186113.6 Ų113.681%0.80958%0.583SS**THydrogen-bonded Turntrans-58.8116.1169.6-76.1-175.9174.6-178.30108.1P460P460-K462 VanDerWaalsContact C-N 3.3Å; P460-K462 PolarHBondContact O-N 3.27Å
463N28.4Very low34.5Very low152 Ų152113.9 Ų113.981%0.81359%0.586SS**THydrogen-bonded Turntrans6273.7170.6-53.3-5.2000115.4Q461Q461-N463 PolarHBondContact O-N 3.47Å; Q461-N463 VanDerWaalsContact O-N 3.14Å
464D31.4Very low34.1Very low110 Ų110111.2 Ų111.259%0.58858%0.578SS**  trans-147.9111149-85.2-51000110.1Q461Q461-D464 HydrophobicContact CG-CB 4.23Å; Q461-D464 PolarHBondContact NE2-OD2 2.9Å
465L29.4Very low33.5Very low161 Ų161111.1 Ų111.184%0.84359%0.585SS**SBendtrans-74.9140.4156.3-97.764000107.5
466H29.6Very low32.9Very low184 Ų184119.9 Ų119.985%0.85262%0.622SS**SBendtrans82.857.3-178.8-54.2-89.3000118.5
467S29.3Very low32.4Very low54 Ų54118.8 Ų118.838%0.37863%0.63SS.*  trans-149.793.7141.679.70000115.1Q469S467-Q469 VanDerWaalsContact C-N 3.28Å; S467-Q469 PolarHBondContact O-N 3.47Å
468S29.2Very low31.4Very low113 Ų113118.1 Ų118.179%0.7964%0.637SS**  trans-79.471.8169.3-59.40000111.2
469Q33.6Very low31.1Very low102 Ų102120 Ų12048%0.47765%0.652SS.*  trans-86.8122.1175.7-65.5-170.564.100111.1Y456 S467Y456-Q469 WeakPolarHBondContact CE2-O 3.41Å; Y456-Q469 PolarHBondContact OH-O 2.7Å; S467-Q469 VanDerWaalsContact C-N 3.28Å; S467-Q469 PolarHBondContact O-N 3.47Å
470T34.9Very low30.8Very low54 Ų54123 Ų12333%0.33166%0.66SS.*  trans-108122.8170.245.90000112.1P397 Y456P397-T470 HydrophobicContact CB-CG2 4.03Å; P397-T470 HydrophobicContact CG-CG2 3.75Å; Y456-T470 WeakPolarHBondContact OH-CA 3.45Å
471V33.7Very low30.7Very low83 Ų83123.6 Ų123.650%0.50366%0.657SS.*  trans-114.1130.5179.8-175.50000110.1Y456Y456-V471 HydrophobicContact CD1-CB 4Å; Y456-V471 HydrophobicContact CD1-CG2 4.3Å; Y456-V471 HydrophobicContact CE1-CB 3.7Å; Y456-V471 HydrophobicContact CE1-CG2 4.09Å; Y456-V471 PolarHBondContact OH-N 3.37Å
472I34.6Very low30.4Very low144 Ų144128 Ų12874%0.73867%0.674SS**PPolyproline II helixtrans-88.9117.4179.7-58.4171.8000109
473V30.3Very low30.4Very low63 Ų63125.3 Ų125.338%0.38267%0.667SS.*PPolyproline II helixtrans-81.6126176.5-177.90000110.1
474P30.6Very low30.4Very low99 Ų99125.6 Ų125.664%0.64367%0.669SS**PPolyproline II helixtrans-75.3135.1179.629.9-34.1000112K476P474-K476 PolarHBondContact O-N 3.44Å
475S29.1Very low30.5Very low104 Ų104125.3 Ų125.373%0.72768%0.682SS**G310 helixtrans-63.73.6-168.9-38.40000117.1
476K31.5Very low30.4Very low203 Ų203126.4 Ų126.488%0.88368%0.683SS**G310 helixtrans-74.9-20.3-177.2-68.9-170.3175.4-174.70114P474 L478P474-K476 PolarHBondContact O-N 3.44Å; K476-L478 VanDerWaalsContact C-N 3.3Å; K476-L478 PolarHBondContact O-N 2.88Å
477A31.8Very low30.3Very low60 Ų60124 Ų12450%0.49668%0.683SS.*G310 helixtrans-80-0.4-176.800000115.2L452L452-A477 HydrophobicContact CD2-CB 4.23Å
478L30.6Very low30.3Very low140 Ų140126.5 Ų126.573%0.73370%0.701SS**G310 helixtrans-121.816.1-165.7-84.3167000115.5K476K476-L478 VanDerWaalsContact C-N 3.3Å; K476-L478 PolarHBondContact O-N 2.88Å
479V27.9Very low30.2Very low116 Ų116130.8 Ų130.870%0.70371%0.708SS**  trans-136.973.4-172.5-1650000113.7
480Y25Very low30Very low224 Ų224131.3 Ų131.388%0.87872%0.723SS**  trans-159.597.8148.2-140.9-86.4000113.5
481N29Very low29.5Very low129 Ų129138.3 Ų138.369%0.6975%0.749SS**  -173.2132.2117.4-141.3-24000109.2
482K27.5Very low29.1Very low208 Ų208142 Ų14290%0.90476%0.764SS**  trans-136.566.2-179.3-170.2-161.8170.8-175.20110.2
483I31.6Very low28.5Very low129 Ų129140.4 Ų140.466%0.66277%0.766SS**  trans-136.1129.3-179.7-61.2-179.1000108.9
484N28.9Very low28.4Very low157 Ų157145 Ų14584%0.8479%0.787SS**  trans52.992.3162.6-57.8-4.9000120
485A31.5Very low28.1Very low104 Ų104145.3 Ų145.386%0.8679%0.792SS**  trans-162.7143.3136.400000109.8
486Q29.1Very low27.8Very low185 Ų185146 Ų14686%0.86480%0.796SS**PPolyproline II helixtrans-78.5152.5171.7-75.4177.2-68.800111.2S488Q486-S488 PolarHBondContact O-N 3.23Å
487P27.2Very low27.5Very low132 Ų132146.8 Ų146.886%0.85779%0.794SS**PPolyproline II helixtrans-75116.9168.831.1-31.9000110.1
488S29.4Very low27.3Very low108 Ų108150.2 Ų150.276%0.75580%0.804SS**PPolyproline II helixtrans-99.2133.8163.248.60000109.9Q486 S490Q486-S488 PolarHBondContact O-N 3.23Å; S488-S490 PolarHBondContact O-N 2.94Å
489E25.7Very low27.4Very low202 Ų202150.4 Ų150.494%0.94481%0.81SS**PPolyproline II helixtrans-70.1129-177-59.3-177130.800111.2
490S29.6Very low27.2Very low114 Ų114151.9 Ų151.980%0.79781%0.814SS**  trans-142.1129163.948.80000110.1S488S488-S490 PolarHBondContact O-N 2.94Å
491K24.8Very low27.5Very low200 Ų200151.2 Ų151.287%0.8782%0.816SS**  trans-75.9128.7-171.1-66.4168.8177.5172.10111.3
492I24.8Very low27.6Very low161 Ų161155.4 Ų155.483%0.82682%0.822SS**  trans-130.591143.1-56.4-177.6000107.8I494I492-I494 HydrophobicContact CG2-CG1 4.29Å
493S22.6Very low27.7Very low111 Ų111152.1 Ų152.178%0.77682%0.815SS**  trans-87.2112.1169.852.40000109.4
494I27.2Very low27.8Very low158 Ų158150 Ų15081%0.8181%0.811SS**  trans-91.4128.5165.2-61.4-178.2000107.3I492I492-I494 HydrophobicContact CG2-CG1 4.29Å
495S25.2Very low27.9Very low107 Ų107150 Ų15075%0.74881%0.811SS**  trans-72.3147.3-168.8-167.30000112.8
496S23.5Very low27.8Very low117 Ų117148.8 Ų148.882%0.81881%0.809SS**  trans-116.9110.7162.8177.80000108.1
497R25Very low27.8Very low221 Ų221149.1 Ų149.183%0.83481%0.808SS**  trans-170171.5170.6-121.5169.1-165.4144.16.8113.3
498D27.8Very low28Very low132 Ų132147.7 Ų147.771%0.70680%0.796SS**  trans71.791.1164.3-49.8-18.1000118.2
499V31.8Very low28.1Very low143 Ų143148 Ų14887%0.86779%0.794SS**  -145.2114110.7-1780000108.7
500D24.7Very low28.3Very low147 Ų147147.2 Ų147.279%0.78679%0.79SS**  trans-82.4153.9167.7-81.7-45.8000111.5
501F30.7Very low28.3Very low210 Ų210146.1 Ų146.192%0.92179%0.788SS**  trans-144.3145147.3-121-83.9000112.6
502R31.4Very low28.4Very low218 Ų218142.9 Ų142.982%0.82379%0.785SS**  trans-86.2155.6-165.9-87.1170.8155.1170.1-8.3114.8
503N29.4Very low28.5Very low139 Ų139141.9 Ų141.974%0.74379%0.787SS**  trans51.2144.6139.9-61.732.1000119
504S32.7Very low28.7Very low85 Ų85147.8 Ų147.859%0.59479%0.792SS**  cis-162151.828.8-127.30000111.9
505D31.2Very low28.7Very low156 Ų156148.5 Ų148.583%0.83479%0.792SS**  trans50.3139.5144.6-44.1-43000122.1
506G30.9Very low28.8Very low78 Ų78154.6 Ų154.680%0.80480%0.798SS**  trans143.338.8163.800000120.6
507F29Very low29.1Very low193 Ų193154.7 Ų154.785%0.84679%0.794SS**  trans15.7145158.1-138.3-118.5000123.4
508T31Very low29Very low101 Ų101150.4 Ų150.462%0.6279%0.793SS**  trans75.598.7157.727.60000122.3
509T30.4Very low28.9Very low114 Ų114151.5 Ų151.570%0.69980%0.799SS**  63.6116.9125.848.40000123.8
510E29.7Very low28.5Very low187 Ų187149.5 Ų149.587%0.87479%0.791SS**  trans93.8144.4130.3-71.2-177.7176.800123.5
511A29.8Very low28.6Very low91 Ų91154 Ų15475%0.75280%0.799SS**  trans64.657.8157.300000120.5
512T28.4Very low28.5Very low131 Ų131149.6 Ų149.680%0.80479%0.789SS**  36.5134.4126.1-30.90000121.6
513T27.2Very low28.1Very low140 Ų140147.9 Ų147.986%0.85979%0.791SS**  trans86.785.2161.6-30.10000116.9
514R26.6Very low27.9Very low236 Ų236149.5 Ų149.589%0.89180%0.798SS**  trans-131.3145.2165.1-161172.2-169.6172.44.4111.4
515Q27.2Very low27.4Very low172 Ų172149.8 Ų149.880%0.80480%0.798SS**  trans-66.5153-179.1-56.1118.9-56.100112.6
516R25.8Very low27.1Very low235 Ų235149 Ų14989%0.88779%0.79SS**  trans-12884.1163.2-148.3171.6-163.5171.15.3107.4
517T30.4Very low26.9Very low120 Ų120152.7 Ų152.774%0.73679%0.791SS**  49.985.7103.464.20000112
518T23.2Very low26.7Very low130 Ų130150.2 Ų150.280%0.79879%0.786SS**  trans-66.2135.7162.646.40000110.2
519D24.6Very low26.5Very low155 Ų155156.8 Ų156.883%0.82980%0.801SS**  trans-167.5159.1139.5-106.1-28.5000112.9
520S24.9Very low26.3Very low102 Ų102153.8 Ų153.871%0.71379%0.792SS**  trans50.594.8161.5-57.20000119.5
521Y27Very low26.3Very low241 Ų241149.4 Ų149.495%0.94578%0.782SS**  trans-129.4133.5137.8-109.7-87.1000110.5
522T27.2Very low26.4Very low118 Ų118150.5 Ų150.572%0.72479%0.785SS**  trans-98140.2-164.60.80000112.9
523Q24.5Very low26.5Very low182 Ų182154.5 Ų154.585%0.8579%0.785SS**  trans49.476.9152.9-63.2176.912.800117.1
524L23.6Very low26.9Very low172 Ų172152 Ų15290%0.90177%0.766SS**  trans-80.7130.6156-157.783.4000109.6
525P23.1Very low27.4Very low91 Ų91144.8 Ų144.859%0.59175%0.745SS**  trans-86.3177.2177.936-37000113.4
526E25.2Very low27.9Very low141 Ų141139.2 Ų139.266%0.65972%0.723SS**  trans66.496.5147.4-73.8162.4146.900121.8L528E526-L528 PolarHBondContact O-N 3.47Å
527N25.3Very low28.2Very low155 Ų155130.5 Ų130.583%0.82970%0.695SS**  63.511.4107.7-61.9-33.3000121.9
528L25.6Very low28.6Very low140 Ų140126.2 Ų126.273%0.73367%0.669SS**  trans-93.2-19.6179.4-99.273.8000117.5E526 G530E526-L528 PolarHBondContact O-N 3.47Å; L528-G530 VanDerWaalsContact C-N 3.29Å; L528-G530 PolarHBondContact O-N 2.98Å; L528-G530 VanDerWaalsContact O-N 3.11Å
529Y25.9Very low28.8Very low240 Ų240127.5 Ų127.594%0.94166%0.664SS**THydrogen-bonded Turntrans-80.613.6-169.6-100-86.2000117.2
530G26.3Very low29.1Very low50 Ų50122 Ų12252%0.51564%0.644SS.*THydrogen-bonded Turntrans-81.7-42.5-172.100000116.3L528 S532L528-G530 VanDerWaalsContact C-N 3.29Å; L528-G530 PolarHBondContact O-N 2.98Å; L528-G530 VanDerWaalsContact O-N 3.11Å; G530-S532 VanDerWaalsContact C-N 3.31Å; G530-S532 PolarHBondContact O-N 3.16Å; G530-S532 VanDerWaalsContact O-N 3.08Å
531S31.4Very low29.3Very low96 Ų96123.8 Ų123.867%0.67165%0.651SS**THydrogen-bonded Turntrans-73.9-8.1-153-165.60000117
532S30.5Very low29.3Very low114 Ų114119.1 Ų119.180%0.79764%0.641SS**THydrogen-bonded Turntrans-95.50.6-172.5-63.60000115G530G530-S532 VanDerWaalsContact C-N 3.31Å; G530-S532 PolarHBondContact O-N 3.16Å; G530-S532 VanDerWaalsContact O-N 3.08Å
533R32Very low29.4Very low215 Ų215119.4 Ų119.481%0.81165%0.645SS**SBendtrans-96.8-18.2179-73.5-178.4173.4164.9-0.3114.5L535R533-L535 VanDerWaalsContact C-N 3.29Å; R533-L535 PolarHBondContact O-N 3.03Å
534D35Very low29.6Very low86 Ų86120.5 Ų120.546%0.4665%0.647SS.*G310 helixtrans-72.5-20.4-170.9-66.84000113.5V536D534-V536 PolarHBondContact O-N 2.83Å
535L37.4Very low29.8Very low86 Ų86119 Ų11945%0.4565%0.645SS.*G310 helixtrans-66.6-2-173.1-121.780.6000116.2R533R533-L535 VanDerWaalsContact C-N 3.29Å; R533-L535 PolarHBondContact O-N 3.03Å
536V36.8Very low30.2Very low55 Ų55123.6 Ų123.633%0.33366%0.658SS.*G310 helixtrans-123.3-2.4-163.6-170.20000113.5V318 Y322 D534 T538V318-V536 HydrophobicContact CG2-CG1 4.26Å; Y322-V536 PolarHBondContact OH-O 2.9Å; D534-V536 PolarHBondContact O-N 2.83Å; V536-T538 PolarHBondContact O-N 2.8Å
537T32.2Very low30.4Very low51 Ų51126.2 Ų126.231%0.31367%0.668SS.*  trans-99.339.8-163.161.20000117
538T38.5Very low30.5Very low31 Ų31127.9 Ų127.919%0.1967%0.671CS.*SBendtrans-110.2126.7-176.9-27.50000111.5A110 Y322 V536A110-T538 HydrophobicContact CB-CG2 4.4Å; Y322-T538 WeakPolarHBondContact CE1-O 3.4Å; Y322-T538 PolarHBondContact OH-N 2.8Å; Y322-T538 PolarHBondContact OH-O 3.05Å; V536-T538 PolarHBondContact O-N 2.8Å
539F28.4Very low30.8Very low156 Ų156130.7 Ų130.768%0.68468%0.677SS**SBendtrans3394.8174.5-59.5-69.9000118.8
540G30.5Very low30.9Very low40 Ų40125.3 Ų125.341%0.41267%0.671SS.*  trans177153.7167.900000113.9R107R107-G540 PolarHBondContact NH2-O 3.35Å
541T28Very low31.1Very low139 Ų139130.1 Ų130.185%0.85368%0.684SS**  trans-104.4136.6173.532.70000110.6
542L28.4Very low31.1Very low143 Ų143131.6 Ų131.675%0.74969%0.691SS**  trans-113.9129.3169.2-82.4170.3000109.3
543P29.8Very low30.9Very low124 Ų124130.7 Ų130.781%0.80569%0.685SS**  trans-74.2-175.516832.5-34000111.6
544K28Very low30.7Very low206 Ų206129.1 Ų129.190%0.89669%0.687SS**  trans-60.2152.3-169.7-101175.5173.8176.30114.7
545V27.9Very low30.4Very low140 Ų140130.2 Ų130.285%0.84870%0.697SS**  trans-71.3129.5156.7176.50000108.7
546E31Very low30Very low187 Ų187130.2 Ų130.287%0.87471%0.71SS**  trans-107.2153165.1-166.5114.7-12400109
547K30.2Very low29.7Very low196 Ų196135.5 Ų135.585%0.85273%0.731SS**  trans-90.6156.9-167.5-69.6-177.9176.5-179.20113.5
548E27.6Very low29.4Very low191 Ų191140.3 Ų140.389%0.89375%0.747SS**  trans-57.8147.3170.4-59.3160.4132.100112.5
549K30.6Very low29.1Very low199 Ų199150 Ų15087%0.86578%0.782SS**  trans-137.3146.3151.2-81.1-167174.5-176.50109.3
550P27.8Very low29.1Very low127 Ų127150.9 Ų150.983%0.82578%0.781SS**  trans-82.8175.2-172.434.2-37.3000114.1
551L31.5Very low29.2Very low150 Ų150158.9 Ų158.979%0.78580%0.804SS**  trans-57.2162.9177.5-134.777.7000113.7
552P31.2Very low29.2Very low127 Ų127157.1 Ų157.183%0.82579%0.79SS**  -135.2171.39338.7-28.4000115.2
553S26.2Very low29.4Very low96 Ų96156.3 Ų156.367%0.67180%0.796SS**  trans-92-179.7-175.453.80000113.9
554Q28.1Very low29.3Very low182 Ų182156 Ų15685%0.8580%0.797SS**  trans111.9139.8174.1-66.5-161.440.700114.6
555T28.4Very low29.4Very low108 Ų108152 Ų15266%0.66380%0.795SS**  cis-160.1132.2-5.1-100.70000112.4
556A28.4Very low29.4Very low87 Ų87152.3 Ų152.372%0.71979%0.789SS**  trans56.5173.7152.100000118.9
557Q30.8Very low29.2Very low166 Ų166150.4 Ų150.478%0.77678%0.78SS**  cis-144.1147.221.5-81.4-168.8-700116.4
558F26.8Very low29Very low151 Ų151148.6 Ų148.666%0.66278%0.779SS**  trans35.1130.8143.6-63-65.8000123.4
559Y31.9Very low29Very low234 Ų234144.1 Ų144.192%0.91878%0.776SS**  -151.316789.1-123-92.4000112.8
560R27.6Very low28.7Very low176 Ų176143.9 Ų143.966%0.66478%0.78SS**  trans-146.4147.5-159.6174.9-173.6-177.3155.67.2112D562R560-D562 WeakPolarHBondContact CG-OD2 3.48Å; R560-D562 IonicContact CZ-OD1 3.98Å; R560-D562 IonicContact CZ-OD2 3.52Å; R560-D562 VanDerWaalsContact NE-CG 3.32Å; R560-D562 IonicContact NE-OD1 3.64Å; R560-D562 PolarHBondContact NE-OD1 3.39Å; R560-D562 IonicContact NE-OD2 2.68Å; R560-D562 PolarHBondContact NE-OD2 3.39Å; R560-D562 IonicContact NH2-OD1 2.68Å; R560-D562 PolarHBondContact NH2-OD1 3.46Å
561K32.4Very low28.6Very low207 Ų207147.8 Ų147.890%0.978%0.784SS**  trans-154.5143.7150.1-154.3162.4-174174.20111.8
562D28.8Very low28.3Very low103 Ų103145.6 Ų145.655%0.55178%0.782SS**  trans-113.1157.1-159.4-51.8-108.1000114R560R560-D562 WeakPolarHBondContact CG-OD2 3.48Å; R560-D562 IonicContact CZ-OD1 3.98Å; R560-D562 IonicContact CZ-OD2 3.52Å; R560-D562 VanDerWaalsContact NE-CG 3.32Å; R560-D562 IonicContact NE-OD1 3.64Å; R560-D562 PolarHBondContact NE-OD1 3.39Å; R560-D562 IonicContact NE-OD2 2.68Å; R560-D562 PolarHBondContact NE-OD2 3.39Å; R560-D562 IonicContact NH2-OD1 2.68Å; R560-D562 PolarHBondContact NH2-OD1 3.46Å
563S31.7Very low28.2Very low125 Ų125148.7 Ų148.787%0.87478%0.784SS**  trans-160.2162.1136.349.10000109.8
564S27.5Very low28.4Very low119 Ų119151.9 Ų151.983%0.83279%0.788SS**  trans-136139.3-148.554.60000115.7
565S30.8Very low28.3Very low121 Ų121151.5 Ų151.585%0.84679%0.787SS**  trans160.6147.5146.6-178.80000109.3
566M27.6Very low28.3Very low147 Ų147157.3 Ų157.372%0.72480%0.797SS**  cis-168.1149.6-31.2-178.8161.4111.800105.7
567E26.8Very low28.3Very low147 Ų147161.1 Ų161.169%0.68781%0.805SS**  trans46.8102.3169.7-71.6175123.800119.1
568N26.9Very low28.3Very low157 Ų157158.7 Ų158.784%0.8480%0.802SS**  179.4160.598.1-97.7-68.2000113.9
569A26.3Very low28.6Very low98 Ų98156.6 Ų156.681%0.8180%0.803SS**  trans57.2104.4166.700000118.9
570M25.3Very low28.4Very low194 Ų194155.6 Ų155.696%0.95680%0.799SS**  trans-146110.1147.7-149.4179.7-15900111.1
571F26.5Very low28.6Very low208 Ų208151.6 Ų151.691%0.91280%0.803SS**  trans-133.6137.6171.2-120.2-86.3000109
572S24.5Very low28.4Very low105 Ų105147.7 Ų147.773%0.73480%0.797SS**  trans-7.4123.2165.8178.70000117.4
573H29.6Very low28.5Very low191 Ų191150.2 Ų150.288%0.88481%0.809SS**  trans-148.3161147.4-131.6-90.4000114.8
574H29.3Very low28.3Very low163 Ų163152 Ų15276%0.75580%0.804SS**  trans-85.1140.4-157.3-153.9-55.4000115.2
575E26.4Very low28.4Very low175 Ų175157.6 Ų157.682%0.81881%0.806SS**  trans-61.8123175.9-176.8-178.1175.800113.7
576R27.5Very low28.4Very low230 Ų230157.8 Ų157.887%0.86880%0.803SS**  trans-160.8101.7164.4-72.8-165-174.1166.43.4111.9
577D30.2Very low28.6Very low166 Ų166157.2 Ų157.289%0.88881%0.808SS**  trans-89.4121.2176.2-83.7-22.8000113.8
578T29.4Very low28.7Very low116 Ų116160.6 Ų160.671%0.71282%0.82SS**  trans-126.3119.5170.654.60000111.5Y580T578-Y580 PolarHBondContact O-N 3.37Å
579P33.5Very low28.9Very low107 Ų107159 Ų15970%0.69582%0.821SS**  trans-93.296.3175.633.7-30.6000111.8
580Y27.8Very low29.1Very low213 Ų213163.7 Ų163.784%0.83583%0.827SS**  trans-81148.4158.2-91.1-90.3000110.1T578T578-Y580 PolarHBondContact O-N 3.37Å
581A31.7Very low29.4Very low91 Ų91157.7 Ų157.775%0.75281%0.814SS**  trans-136.486.8177.600000111.3I583A581-I583 PolarHBondContact O-N 3.47Å
582T28.3Very low29.5Very low126 Ų126155.7 Ų155.777%0.77381%0.812SS**  trans-77.1115.9177.7-50.10000110.8Q584T582-Q584 PolarHBondContact O-N 2.72Å
583I30.5Very low29.9Very low156 Ų156157.7 Ų157.780%0.881%0.813SS**  trans-91.196.2177.5-57.5179000110.1A581A581-I583 PolarHBondContact O-N 3.47Å
584Q27.6Very low29.9Very low163 Ų163153.4 Ų153.476%0.76281%0.805SS**  trans-73.8133.5163.8-73.2-173.7-18.100110.5T582T582-Q584 PolarHBondContact O-N 2.72Å
585R29.9Very low30.2Very low235 Ų235151.3 Ų151.389%0.88780%0.804SS**  trans-100.3105.4165.1-94-175.2170.7162.9-1109.8
586T30.1Very low30.5Very low126 Ų126149.8 Ų149.877%0.77380%0.801SS**  trans-89113.3173.142.10000110.9
587T32.8Very low31.1Very low135 Ų135144 Ų14483%0.82879%0.793SS**  trans-108.796.8170.251.30000110.3
588K29Very low31.7Very low218 Ų218141.1 Ų141.195%0.94878%0.783SS**  trans-85.6126.6165.9-92.8-176.3171.9179.40109.8
589S32Very low32Very low122 Ų122142.7 Ų142.785%0.85379%0.788SS**  trans-128165.1168.8-168.70000109.5
590Q29.9Very low32.3Very low198 Ų198142.9 Ų142.993%0.92579%0.786SS**  trans-99.1163.2-153.2-63.5171.9-4200115.9
591G30.6Very low32.6Very low68 Ų68143.8 Ų143.870%0.70179%0.788SS**  trans143.9150.6156.400000112.6
592L29.2Very low32.7Very low165 Ų165148.7 Ų148.786%0.86479%0.793SS**  cis-166.1-179.7-24.1-147.9127.1000106.9
593I33Very low33.1Very low147 Ų147148.8 Ų148.875%0.75479%0.793SS**  trans78.4106.4176.2-51.7159.2000111.3
594S29.5Very low33.2Very low102 Ų102146.8 Ų146.871%0.71379%0.793SS**  71.9124.160.4-157.20000111.8
595T34.6Very low33.6Very low119 Ų119143.9 Ų143.973%0.7380%0.797SS**  cis-138.9-175.520.2550000110.2
596N33.1Very low33.8Very low143 Ų143136.2 Ų136.277%0.76579%0.791SS**  cis-155.5169.1-17.8-115.94.8000110.6
597P41.2Very low34.2Very low108 Ų108140.9 Ų140.970%0.70179%0.794SS**  trans-112.4-162177.445.6-36000112.1
598P42Very low34.4Very low105 Ų105140.1 Ų140.168%0.68279%0.785SS**  cis-132.5176.6-1142.5-27.3000115.6
599N36.9Very low34.7Very low150 Ų150138.3 Ų138.380%0.80277%0.773SS**  trans151158.3147.6-86.7-41000112.7
600V38.9Very low34.9Very low110 Ų110138.9 Ų138.967%0.66776%0.762SS**  cis-170155-36.1111.80000110.2
601R34.5Very low34.9Very low232 Ų232134.8 Ų134.888%0.87575%0.754SS**  trans66.3168.7173.1-75.9159.4-174.8-1722.3118
602K32.8Very low35.1Very low194 Ų194137 Ų13784%0.84375%0.754SS**  cis-178.5-177.8-50-127.4-176.5178.9-176.30109.5
603V36.4Very low35.3Very low129 Ų129135.8 Ų135.878%0.78275%0.748SS**  trans81.7112.7169.8-170.60000113.3
604S34.2Very low35.3Very low113 Ų113135.1 Ų135.179%0.7975%0.746SS**  84145.558.8-59.80000113.9
605A34.5Very low35.3Very low102 Ų102136.3 Ų136.384%0.84374%0.744SS**  cis-172.1167.5-15.800000111.6
606G35.6Very low35Very low75 Ų75134.7 Ų134.777%0.77374%0.743SS**  trans110.2157.4162.400000116.6
607R37.3Very low34.9Very low223 Ų223132.9 Ų132.984%0.84274%0.742SS**  cis-167.6137.1-7.1-150.6-168.7-169.41694.9111.6
608N36.3Very low34.4Very low120 Ų120135.1 Ų135.164%0.64274%0.743SS**  trans61.5154.3152.6-71.87.8000120
609R36.3Very low33.8Very low180 Ų180140.5 Ų140.568%0.67975%0.749SS**  cis-166.4154.2-15.2-117.5176.3149.3-174.7-24.2110.8
610E35.2Very low33.5Very low133 Ų133138.3 Ų138.362%0.62175%0.746SS**  trans46.8150.2141.2-72149.8-16900122.3
611C31.1Very low33.1Very low113 Ų113138.7 Ų138.776%0.76475%0.753SS**  cis-175.6178.3-26-109.40000109.8
612V35Very low32.7Very low115 Ų115138.5 Ų138.570%0.69775%0.754SS**  trans76.8105163.4-162.40000117.9
613D33.1Very low32.6Very low139 Ų139133 Ų13374%0.74375%0.745SS**  36.5156.3107.4-30.9-43.7000119.6
614D31.8Very low32.5Very low132 Ų132135 Ų13571%0.70675%0.751SS**  cis-161.616820.6-157.86.3000114.8
615N30.5Very low32.5Very low127 Ų127137 Ų13768%0.67975%0.752SS**  trans46.8106.1148.5-90-50.7000123.8
616A29.1Very low32.4Very low85 Ų85138 Ų13870%0.70275%0.75SS**  56.4130117.800000123.4
617S30.2Very low32.1Very low106 Ų106139.4 Ų139.474%0.74175%0.748SS**  145.6137.9109.968.20000117.4
618Q29.5Very low32.1Very low154 Ų154133.9 Ų133.972%0.7274%0.742SS**  trans68.4150.8145.3-77.2-166.641.200124.8
619R30.5Very low31.8Very low218 Ų218139.8 Ų139.882%0.82376%0.755SS**  trans77.596.2150.4-76.7161.4-173.7-110.8-1.7121
620S29.7Very low31.6Very low104 Ų104139.7 Ų139.773%0.72777%0.767SS**  trans-47.9145.9139.1168.20000113.2
621S30.7Very low31.4Very low118 Ų118136.9 Ų136.983%0.82577%0.773SS**  trans-159.5160.7141.2-83.10000111.8
622Y26.8Very low31.4Very low228 Ų228137.2 Ų137.289%0.89478%0.777SS**  trans-94.1167.3-174.5-111-107.5000113.3
623A30.9Very low31.2Very low80 Ų80142.8 Ų142.866%0.66179%0.786SS**  trans72.5130.1155.900000119.8
624N34.5Very low31.2Very low169 Ų169142.9 Ų142.990%0.90479%0.787SS**  -154.5148.6111.1-96.9-44.6000111.1
625L34.4Very low31.2Very low155 Ų155145.9 Ų145.981%0.81280%0.796SS**  trans-100.2159.9-179-86.4159.7000110.5
626P31.5Very low31.2Very low124 Ų124143.7 Ų143.781%0.80580%0.804SS**  -145.8170.19536-18.3000116.5
627S29Very low31.3Very low104 Ų104145.8 Ų145.873%0.72781%0.812SS**  trans-144.2-169165.8-47.70000106.4
628P38.1Very low31.4Very low108 Ų108145.5 Ų145.570%0.70181%0.81SS**  cis-132.5-173.2-16.642.4-26.3000113.1
629R31Very low31.6Very low244 Ų244147.7 Ų147.792%0.92182%0.817SS**  trans156.7127.4147.8-87.2160.4-160.8-129.26.5108.5
630L30.8Very low31.7Very low177 Ų177147.9 Ų147.993%0.92782%0.818SS**  cis112.3123.48.1-158.7149.6000113.6
631G32.1Very low32.1Very low74 Ų74147.7 Ų147.776%0.76382%0.816SS**  trans108.2144.5-173.200000112.7
632S30.7Very low32.2Very low121 Ų121150.1 Ų150.185%0.84682%0.82SS**  cis-146.7177-7.6-163.80000110.6
633W29.9Very low32.6Very low231 Ų231142.4 Ų142.488%0.87581%0.81SS**  trans-100.1169.7178.3-77.860.1000113.3
634D32.7Very low32.8Very low142 Ų142148.2 Ų148.276%0.75982%0.82SS**  trans146.3112.1142.2-72.2-5.5000110.4
635E31.8Very low32.7Very low195 Ų195146.2 Ų146.291%0.91182%0.815SS**  85.9139.486.7-72.7-127.9136.900114.9
636G31.6Very low32.7Very low81 Ų81144.8 Ų144.884%0.83582%0.817SS**  trans160.1130.717900000113.2
637C30.7Very low32.7Very low128 Ų128143.9 Ų143.987%0.86581%0.814SS**  trans-141.1139.5-157.5-163.30000116.9
638S31.8Very low33Very low101 Ų101143 Ų14371%0.70681%0.813SS**  trans42.7128.1145.8-1690000123
639K35.3Very low32.8Very low200 Ų200147 Ų14787%0.8782%0.82SS**  trans179162.9143.8-94.2144.1-172.41750110.7
640R33Very low32.9Very low222 Ų222140.8 Ų140.884%0.83881%0.812SS**  cis-173.8152.7-42-157.7-179.5-172-168.64109.8
641S36.1Very low33Very low99 Ų99138.9 Ų138.969%0.69280%0.802SS**  trans73.5165.2155.383.70000119.6
642N33.4Very low33.2Very low169 Ų169143.3 Ų143.390%0.90481%0.805SS**  cis-171.9151.5-34.3-97.2-7.4000111.6
643G34.7Very low33.4Very low67 Ų67141.2 Ų141.269%0.69180%0.795SS**  trans153.5121.3164.500000112.7
644K35Very low33.7Very low201 Ų201138.8 Ų138.887%0.87479%0.793SS**  76.3135.666.2-77.5-170.9175.7-176.30114.6
645T32.8Very low33.6Very low128 Ų128141.8 Ų141.879%0.78579%0.794SS**  cis178.6160.6-32.518.40000109.7
646S35.8Very low33.9Very low124 Ų124138.3 Ų138.387%0.86779%0.788SS**  trans78.4155.1164.7-161.20000117.7
647S31Very low34Very low106 Ų106140.3 Ų140.374%0.74178%0.776SS**  cis-175.7173.7-33.7-171.30000110.5
648A35.9Very low34.5Very low86 Ų86143.8 Ų143.871%0.71178%0.779SS**  trans71156.6166.500000118.9
649K34Very low34.6Very low191 Ų191143.9 Ų143.983%0.8378%0.78SS**  cis-170.5168.6-25.4-123.4-178.5-179.2-179.20110.3
650C31.3Very low34.8Very low113 Ų113142.5 Ų142.576%0.76478%0.781SS**  trans71.2158161.7-66.60000119.1
651L34.2Very low35.1Very low137 Ų137137 Ų13772%0.71777%0.774SS**  cis-172.8160.2-37.8-121.9171.5000110.5
652M35.6Very low35.2Very low168 Ų168138.2 Ų138.283%0.82878%0.779SS**  trans68150.8168-59.5-54-176.100118.5
653A35.3Very low36Very low76 Ų76138 Ų13863%0.62878%0.777SS**  cis-162154.7-1700000113.8
654Q35.7Very low35.9Very low181 Ų181144.7 Ų144.785%0.84679%0.787SS**  trans45120.4144.7-68.1170.7-9.500121.6
655R31.7Very low36.1Very low204 Ų204140.4 Ų140.477%0.7778%0.782SS**  77.6159.684.2-110.3-151.4168.7149.6-7.8113.8E657R655-E657 IonicContact CZ-OE1 2.8Å; R655-E657 IonicContact NE-OE1 3.74Å; R655-E657 PolarHBondContact NE-OE1 2.79Å; R655-E657 IonicContact NH2-OE1 3.89Å; R655-E657 PolarHBondContact NH2-OE1 3.06Å
656P37.6Very low36.4Very low122 Ų122140 Ų14079%0.79278%0.782SS**  cis-126-156.413.644.1-27000115.9
657E33.6Very low36.6Very low123 Ų123142.7 Ų142.758%0.57579%0.785SS**  trans-107.8166-161.4-68.1143.2-141.100114.8R655R655-E657 IonicContact CZ-OE1 2.8Å; R655-E657 IonicContact NE-OE1 3.74Å; R655-E657 PolarHBondContact NE-OE1 2.79Å; R655-E657 IonicContact NH2-OE1 3.89Å; R655-E657 PolarHBondContact NH2-OE1 3.06Å
658H40.8Very low36.9Very low201 Ų201145.2 Ų145.293%0.93179%0.785SS**  trans-138.9144.2145.2-99.1-76.4000110.3
659S33.6Very low37Very low103 Ų103153.1 Ų153.172%0.7280%0.797SS**  trans-139149.5-168.454.40000112.6
660L40.1Very low37.2Very low172 Ų172152.8 Ų152.890%0.90180%0.798SS**  trans-144.9149.2166.1-90.2171.9000109.6
661P38.2Very low37.5Very low106 Ų106151.1 Ų151.169%0.68880%0.8SS**PPolyproline II helixtrans-102.5162.8-158.638.9-37.2000115.7
662P39.8Very low37.8Very low124 Ų124156.5 Ų156.581%0.80581%0.811SS**PPolyproline II helixtrans-81143.3165.334-33.4000112
663I49.2Very low38.2Very low165 Ų165157.2 Ų157.285%0.84681%0.812SS**PPolyproline II helixtrans-81136179.1-64170.7000110.8
664K33.7Very low39.5Very low207 Ų207159.1 Ų159.190%0.982%0.818SS**  trans-120.7138.2161.1-80.3-175.2175.1-178.20109.5
665S38.6Very low40.4Very low111 Ų111156 Ų15678%0.77681%0.813SS**  trans-142.5151.7153.153.20000109.1
666P38.9Very low41.7Very low120 Ų120152 Ų15278%0.77981%0.814SS**  trans-110.7165.4-16040.3-32.8000113.9
667L40.2Very low42.2Very low180 Ų180151.9 Ų151.994%0.94281%0.813SS**  trans-149.5156.1143.7-117.5158.3000110
668E37.5Very low43.2Very low159 Ų159152 Ų15274%0.74383%0.825SS**  trans-138.7126.7-150178-170.7154.100110.1
669R38.2Very low43.2Very low252 Ų252148.5 Ų148.595%0.95182%0.822SS**  trans-161.8141.6153.4-114.9164.7-163.1-152.10.9112.8
670Q38.3Very low43.7Very low185 Ų185147.4 Ų147.486%0.86483%0.827SS**  trans-84.1146.4178.7-59.3166.8-000110.5
671G37.3Very low43.8Very low77 Ų77146.4 Ų146.479%0.79483%0.829SS**  trans-154.8137.8171.900000109.7
672R40.2Very low43.7Very low250 Ų250145 Ų14594%0.94383%0.834SS**PPolyproline II helixtrans-94.2155.1-167.5-64.3-177.1-178.4178.40.1113.4
673H43.5Very low43.8Very low183 Ų183144.4 Ų144.485%0.84783%0.83SS**PPolyproline II helixtrans-59.5144.3163.7-76.9-98.8000112.5
674P63.7Low43.3Very low116 Ų116148.3 Ų148.375%0.75384%0.835SS**PPolyproline II helixtrans-92.5147.815035.1-29.9000111.6
675P54.3Low43.2Very low117 Ų117144.6 Ų144.676%0.7683%0.834SS**PPolyproline II helixtrans-92.2166176.436.7-35.3000113.8
676P58.9Low43Very low119 Ų119144 Ų14477%0.77384%0.836SS**PPolyproline II helixtrans-71.2165.8170.530.9-35.5000113.3
677P47.6Very low42.7Very low120 Ų120145.7 Ų145.778%0.77984%0.837SS**PPolyproline II helixtrans-91.1159.1-158.135.5-37.6000115.7
678P55.7Low42.5Very low126 Ų126146.7 Ų146.782%0.81883%0.834SS**PPolyproline II helixtrans-82.6146168.134.5-33.5000112.2
679S39.9Very low42.6Very low126 Ų126144.3 Ų144.388%0.88183%0.831SS**PPolyproline II helixtrans-84.9147.7164.545.70000111
680G44.9Very low42.6Very low80 Ų80137.7 Ų137.783%0.82582%0.82SS**  trans-144.7134.6178.100000111.4
681T41.7Very low43.4Very low152 Ų152134.9 Ų134.993%0.93382%0.818SS**  trans-102.6148.1-172.746.70000112.4
682G36.4Very low43.2Very low77 Ų77136 Ų13679%0.79482%0.82SS**  trans164107.7169.800000114.7
683P42.1Very low43.2Very low111 Ų111130.5 Ų130.572%0.72181%0.814SS**  trans-108149.3177.837.7-30.3000113.5
684Y37.4Very low42.9Very low246 Ų246126.2 Ų126.297%0.96581%0.805SS**  trans-154159.6157.2-92.4-66.2000111.8
685C31.3Very low41.7Very low129 Ų129127.9 Ų127.987%0.87281%0.812SS**  trans-122.2137.7-167.9-55.50000113.5
686A35.8Very low40.9Very low98 Ų98125.7 Ų125.781%0.8181%0.811SS**  trans-165.1131.9147.800000107.7
687L31.6Very low40Very low156 Ų156129.3 Ų129.382%0.81782%0.817SS**  cis72.889.445.6-107.6172.9000115.6
688F35.2Very low39.5Very low201 Ų201128.9 Ų128.988%0.88282%0.818SS**  trans-166.9102.6152.7-106.3-80.1000106.7
689V39.7Very low38.7Very low110 Ų110128.4 Ų128.467%0.66781%0.814SS**  65116.182179.50000113.7
690P39.1Very low38.5Very low112 Ų112129.8 Ų129.873%0.72781%0.809SS**  trans-96.1159.8179.738.1-34.9000113.8
691P54.2Low38Very low127 Ų127132.8 Ų132.883%0.82581%0.811SS**  trans-88150.6169.535.2-33.2000112.7
692A34.9Very low37.8Very low100 Ų100132.2 Ų132.283%0.82680%0.801SS**  trans-132.8127.5173.100000111.3
693V39Very low37.8Very low134 Ų134133.7 Ų133.781%0.81280%0.797SS**  trans-149.989.1177.3178.70000105.5
694S36.7Very low37.5Very low94 Ų94135 Ų13566%0.65780%0.796SS**  80.4108.186.278.80000115.6
695V38.4Very low37.1Very low150 Ų150134.9 Ų134.991%0.90979%0.794SS**  trans78.5127.1134.4178.50000118.4
696G39Very low37.4Very low72 Ų72139 Ų13974%0.74279%0.791SS**  trans172.752.5-179.500000115.1
697E39.1Very low37.1Very low194 Ų194140.3 Ų140.391%0.90779%0.789SS**  trans45.4157.1158.4-59.2-170.4133.800123.2
698S36.9Very low37.6Very low112 Ų112139 Ų13978%0.78379%0.79SS**  trans-108.3176.9179.5-123.60000109.5
699P39.4Very low37.3Very low115 Ų115138.4 Ų138.475%0.74779%0.787SS**  cis-145.4151.734.740.2-19000119.7
700M35.1Very low37.2Very low155 Ų155142.2 Ų142.276%0.76480%0.797SS**  trans32.9115.7130.7-166.3-176.3-62.100120.2I702M700-I702 HydrophobicContact CG-CG1 4.49Å
701T34.9Very low36.9Very low143 Ų143141.8 Ų141.888%0.87780%0.797SS**  trans-147135139.2-65.10000109
702I37Very low36Very low140 Ų140143.4 Ų143.472%0.71880%0.798SS**  trans-133172.7178-22.1179.2000108.8M700M700-I702 HydrophobicContact CG-CG1 4.49Å
703P36.8Very low36Very low108 Ų108143.2 Ų143.270%0.70179%0.79SS**  -92.3-172.5-105.241.3-29.3000112.8
704I36.1Very low35.6Very low139 Ų139145.8 Ų145.871%0.71379%0.791SS**  trans-156140.4133.7-107.1150.3000111.6R706I704-R706 HydrophobicContact CG2-CG 3.88Å
705R29.5Very low35.5Very low243 Ų243149.9 Ų149.992%0.91780%0.8SS**  trans-111.4111177.8-177.6-172.4-168.6-179.65.6107.7
706R36Very low35.3Very low217 Ų217153.9 Ų153.982%0.81980%0.799SS**  trans-122105.1179.2-85.4178.6-178.1-176.32112.5I704I704-R706 HydrophobicContact CG2-CG 3.88Å
707T31.2Very low35Very low124 Ų124154.5 Ų154.576%0.76180%0.796SS**  trans-93.1125.5158.149.30000109.3
708P41Very low34.8Very low128 Ų128154.4 Ų154.483%0.83179%0.793SS**  trans-91.1103.1166.432.4-27.7000110.3
709K30.2Very low34.7Very low190 Ų190157.9 Ų157.983%0.82680%0.797SS**  trans-90.8117.6150.2-78.5-175.9177.6-179.20106.8
710H37.4Very low34.5Very low190 Ų190160.5 Ų160.588%0.8880%0.799SS**  trans-149.5108.5154.8-106.3-75000110.9
711S31.3Very low34.5Very low103 Ų103157.8 Ų157.872%0.7279%0.788SS**  trans-82.8139.8158.151.80000109.4
712L36.4Very low34.5Very low160 Ų160161 Ų16184%0.83878%0.783SS**  trans-174.4163.7134.5-102.7162.5000112.1
713S34.1Very low34.5Very low97 Ų97160.9 Ų160.968%0.67878%0.783SS**  trans-5.7127.2168.848.10000118.6
714F31.8Very low34.6Very low188 Ų188161 Ų16183%0.82579%0.787SS**  66.898.955.1-165.1-72.4000113.5
715E34.6Very low34.9Very low180 Ų180160.2 Ų160.284%0.84178%0.783SS**  -159.9179.4127.9-159.2104.5-114.200107.8
716R33.2Very low35.7Very low234 Ų234156 Ų15688%0.88378%0.779SS**  trans-150.6132.3-155.1-155.1-169.8-157.7168.26.7115.4
717A33.4Very low36.1Very low84 Ų84154.1 Ų154.169%0.69478%0.777SS**  trans72.8145.2151.600000121.5
718K34.7Very low36.7Very low192 Ų192153.4 Ų153.484%0.83577%0.774SS**  trans69.1146168.6-62.8175.2179.6-179.70114.4
719Q34.7Very low36.8Very low186 Ų186156.4 Ų156.487%0.86977%0.774SS**  cis-143.2-175.632.1-149.8140.4-79.200114.1
720H34.9Very low37.4Very low169 Ų169153.5 Ų153.578%0.78277%0.773SS**  trans-99.3160.5-171-116.4-94.7000114.1
721D35.3Very low37.6Very low99 Ų99149.8 Ų149.853%0.52977%0.766SS.*  trans69.1129.9148.9-90.248000122.9
722R34.3Very low38.2Very low210 Ų210153.1 Ų153.179%0.79277%0.773SS**  trans74.7158.2142.1-67.8174.6-161.5-130.9-3.7117.6
723L38.1Very low38.5Very low137 Ų137148.4 Ų148.472%0.71776%0.764SS**  cis-156.7144.84.1-134.4163.6000110.6
724S37.8Very low38.7Very low110 Ų110151.2 Ų151.277%0.76977%0.771SS**  trans-178.2150.6151.5-85.20000112.1
725L42.1Very low39.1Very low123 Ų123146.8 Ų146.864%0.64476%0.763SS**  cis-169.2114.3-30.9-150.5164.9000108.6K727L725-K727 HydrophobicContact CD2-CG 4.32Å
726D46.8Very low39.4Very low154 Ų154145.5 Ų145.582%0.82476%0.762SS**  trans-17098.4143.3-109.4-24.3000116.4
727K45Very low39.7Very low178 Ų178139.1 Ų139.177%0.77475%0.753SS**  35.6155.9129-75.5-172.4172.31740125.3L725L725-K727 HydrophobicContact CD2-CG 4.32Å
728P44.4Very low39.9Very low109 Ų109146.3 Ų146.371%0.70876%0.762SS**  trans-143.7-175.1-135.145.6-26.6000117.3
729K43Very low40.1Very low192 Ų192143.3 Ų143.384%0.83576%0.762SS**  trans171.2149.9145.4-91.4155.4-177.4-178.50107.6
730T42.3Very low40.3Very low129 Ų129137.9 Ų137.979%0.79176%0.756SS**  cis-154.3155.76.4-3.20000109.7
731P41.6Very low40.4Very low112 Ų112137 Ų13773%0.72776%0.757SS**  trans-113.5176.4-177.842-33.6000114.9
732I42.6Very low40.5Very low172 Ų172138.5 Ų138.588%0.88277%0.77SS**  trans177.2147.3143.4-95.3154000111.4
733G42.8Very low40.4Very low62 Ų62138 Ų13864%0.63977%0.774SS**  trans95.3104.8171.200000114.6
734D39.1Very low40.4Very low156 Ų156140.6 Ų140.683%0.83478%0.779SS**  cis77.4130.944.7-59.6-53.2000113.6
735S40.5Very low40.1Very low94 Ų94140 Ų14066%0.65777%0.774SS**  cis-164.5-178.48.151.30000113.5
736L41.4Very low39.9Very low154 Ų154141.8 Ų141.881%0.80678%0.779SS**  trans71.4113.8163.5-59.4156.2000116.7
737S38.5Very low39.2Very low99 Ų99139.4 Ų139.469%0.69278%0.775SS**  81140.755.180.70000114.5
738R37.8Very low38.6Very low236 Ų236138.7 Ų138.789%0.89178%0.775SS**  cis-159.7161.72.7-129.4-172.1179.9-179.60.9109.1
739P39Very low38.1Very low128 Ų128139.2 Ų139.283%0.83178%0.78SS**  trans-99.1179.4-179.439.2-33.2000114.1
740G39.4Very low37.5Very low72 Ų72136.1 Ų136.174%0.74277%0.773SS**  trans-152.6135.7171.800000114.5
741D35.7Very low37Very low151 Ų151137.5 Ų137.581%0.80777%0.774SS**  trans-77.4162.4178.8-59.4-90.4000112.8
742T37.6Very low36.6Very low131 Ų131141.4 Ų141.480%0.80478%0.78SS**  -176.6139.37628.20000115.7
743K34Very low36.1Very low200 Ų200140.5 Ų140.587%0.8778%0.776SS**  trans3.1137.5144.7-57170.7-179.5174.80120
744K37Very low35.8Very low191 Ų191143.6 Ų143.683%0.8379%0.785SS**  -151165110.4-133.4-169.8176.5-157.90112.5
745S32.2Very low35.4Very low96 Ų96146 Ų14667%0.67179%0.788SS**  trans-152.6146.3-168.854.70000110.8
746E36.4Very low35Very low161 Ų161146.3 Ų146.375%0.75280%0.796SS**  trans-177.7116.6153.3-102.8149160.200108.2
747S33.3Very low34.8Very low104 Ų104143.5 Ų143.573%0.72780%0.795SS**  81.2116.395.174.30000112.4
748Q31.8Very low34.4Very low164 Ų164145.3 Ų145.377%0.76680%0.803SS**  cis10311749.3-179.8-177.25.100111.1
749S34.7Very low34.1Very low119 Ų119140.4 Ų140.483%0.83280%0.803SS**  trans-165.3139.3150.9-50000110.4
750D29Very low34Very low128 Ų128143.8 Ų143.868%0.68480%0.804SS**  trans-91.6175.6-178.8-53.7-93.9000112.7
751I33.3Very low33.8Very low158 Ų158146 Ų14681%0.8181%0.805SS**  -176.7115.4128.6-93.3153.3000113.3
752F32.5Very low34.3Very low193 Ų193144.9 Ų144.985%0.84681%0.807SS**  trans42.7131146.8-69.5-94.3000125.7
753L33.1Very low34.1Very low153 Ų153148.2 Ų148.280%0.80181%0.813SS**  trans-85.7169.2150.1-74.9163.1000111.6
754P36.2Very low34.1Very low128 Ų128142.3 Ų142.383%0.83181%0.809SS**  -133.6-176.2122.436.1-24.9000115.1
755K30.8Very low34Very low205 Ų205138.4 Ų138.489%0.89181%0.806SS**  trans-113.6174.7-162.5-63.1173.7176173.20114.2
756A32.1Very low34.1Very low101 Ų101139.6 Ų139.684%0.83581%0.814SS**  trans83.3158.4155.100000116.6
757A36.1Very low33.8Very low95 Ų95135.1 Ų135.179%0.78581%0.811SS**  cis-141.5165.612.100000115
758T31.1Very low33.9Very low138 Ų138140.4 Ų140.485%0.84782%0.821SS**  trans-87.6146.2173.548.40000112.9
759C31.2Very low33.7Very low132 Ų132136.5 Ų136.589%0.89282%0.817SS**  trans-121.7138.3164.5-720000112
760K35.6Very low33.6Very low199 Ų199136.9 Ų136.987%0.86582%0.818SS**PPolyproline II helixtrans-96.7152.7168.8-68.7178.8178.1177.50109.9
761P35.3Very low33.5Very low118 Ų118138 Ų13877%0.76682%0.824SS**PPolyproline II helixtrans-75.7148.6165.732.8-34.1000111.3
762P47Very low33.5Very low129 Ų129137.1 Ų137.184%0.83882%0.82SS**PPolyproline II helixtrans-78.6157.1169.533.2-34.2000111.9
763Q33.1Very low33.2Very low201 Ų201133.2 Ų133.294%0.93982%0.816SS**PPolyproline II helixtrans-101.4152.7170.2-73.5-178.5-32.500111.3
764G34.7Very low33Very low75 Ų75136.3 Ų136.377%0.77382%0.817SS**  trans100.2151.1168.500000114.9
765S34Very low32.5Very low109 Ų109137 Ų13776%0.76281%0.814SS**  cis-163.5147.2-1353.90000111.9
766S33.9Very low32.7Very low122 Ų122132.7 Ų132.785%0.85380%0.804SS**  trans65.4140.3163.476.20000120.3
767G31.7Very low32.6Very low67 Ų67134 Ų13469%0.69180%0.798SS**  96.970.2127.500000120.3
768K34.1Very low32.4Very low215 Ų215135.4 Ų135.494%0.93580%0.798SS**  174.2150.699.1-92.3167.7-177.8178.80112.3
769A29.2Very low32.3Very low82 Ų82135.9 Ų135.968%0.67880%0.795SS**  trans-91.8156.8-18000000112.6
770C31Very low32.3Very low127 Ų127140.6 Ų140.686%0.85880%0.796SS**  trans-150.792156.3-92.80000107.7
771D28Very low32Very low152 Ų152141.8 Ų141.881%0.81380%0.795SS**  trans-70.3130.3172.8-64.9-71.7000110.5
772I32.1Very low32Very low139 Ų139143.1 Ų143.171%0.71379%0.794SS**  trans-130.494.3163.3-57.9-177.3000107.3
773S26.7Very low31.2Very low110 Ų110144.8 Ų144.877%0.76979%0.791SS**  trans-83.4125.3173.449.50000110.1
774W28.7Very low31.3Very low219 Ų219141 Ų14183%0.8378%0.783SS**  trans-109.689.9166.7-78.999.4000109.2V776W774-V776 HydrophobicContact CE3-CG2 4.38Å
775N27.2Very low31.3Very low141 Ų141143.3 Ų143.375%0.75479%0.788SS**  trans-95.2112.1170.8-177.29.5000108.7
776V33.8Very low31.2Very low115 Ų115149 Ų14970%0.69779%0.793SS**  trans-134.3115.1177.1-173.80000109W774W774-V776 HydrophobicContact CE3-CG2 4.38Å
777N30.2Very low31.1Very low130 Ų130149.7 Ų149.770%0.69579%0.787SS**  trans-68141-179.6-79.3-52.5000112.3L779N777-L779 PolarHBondContact O-N 3.41Å
778P32.7Very low31Very low123 Ų123156.9 Ų156.980%0.79980%0.799SS**  trans-81110.5168.432-31.5000110.8
779L29.1Very low30.9Very low149 Ų149155 Ų15578%0.7879%0.793SS**  trans-135.186.1171.3-89.6175.2000112N777N777-L779 PolarHBondContact O-N 3.41Å
780Y31.3Very low31.1Very low230 Ų230158.1 Ų158.190%0.90280%0.799SS**  trans-137.392.4154.5-98.8-82.4000109.2
781R28.7Very low31.2Very low224 Ų224157.6 Ų157.685%0.84579%0.791SS**  trans-105100.2169.1177.6-173.7-76.4-176.2-4.6107.8
782I34.4Very low31.5Very low147 Ų147160.5 Ų160.575%0.75480%0.797SS**PPolyproline II helixtrans-87.2123.9169.7-60.1177.9000107.3
783Q31.6Very low31.4Very low163 Ų163162.1 Ų162.176%0.76280%0.802SS**PPolyproline II helixtrans-88.3135.4171.9-66.9-179.1-94.500110
784P35.1Very low31.8Very low121 Ų121162.7 Ų162.779%0.78681%0.806SS**PPolyproline II helixtrans-70.7145.6159.431-32.6000110
785S32.9Very low31.9Very low124 Ų124158.3 Ų158.387%0.86780%0.803SS**PPolyproline II helixtrans-73.6138.2179.244.70000112
786R33.6Very low32.3Very low229 Ų229156 Ų15686%0.86480%0.803SS**PPolyproline II helixtrans-85.5150171.9-100.1-176.8175.1175.5-2.8111.5
787N31.2Very low32.5Very low136 Ų136156.7 Ų156.773%0.72781%0.808SS**  trans64.7102.9155-56.92.7000118.2
788F30.4Very low32.6Very low218 Ų218156.5 Ų156.596%0.95681%0.812SS**  trans-136.998.6135.1-99.3-79.4000109.4
789H31.3Very low32.8Very low176 Ų176157 Ų15782%0.81581%0.813SS**  trans-88.8137.3155.8-104.8-76.8000107.3
790N33.5Very low33Very low148 Ų148156.4 Ų156.479%0.79181%0.811SS**  -178.9138.3128.9-95.4-15.9000113.1
791V32.4Very low33.2Very low115 Ų115154.5 Ų154.570%0.69781%0.81SS**  trans48.8104.2143.5-1730000118
792F34Very low33.4Very low213 Ų213147.4 Ų147.493%0.93481%0.806SS**  -146.7119.6117.4-113.2-75000109.4
793E31.1Very low33.5Very low173 Ų173150.2 Ų150.281%0.80882%0.816SS**  trans-131.3135.2-179.2-179.4174.1-144.100108
794S34.4Very low33.6Very low122 Ų122147.8 Ų147.885%0.85382%0.817SS**  trans-149.7121.3172.1-171.20000109.5
795T31.8Very low33.9Very low127 Ų127147.2 Ų147.278%0.77981%0.814SS**  trans-91.3145.4-171.426.60000113.3
796A35.8Very low33.9Very low92 Ų92146.4 Ų146.476%0.7681%0.808SS**  trans-163.193.2156.900000113.3
797T37.3Very low34.2Very low130 Ų130143 Ų14380%0.79880%0.802SS**  trans30.2106.8142.454.10000121.8
798T31.8Very low34.4Very low126 Ų126143.1 Ų143.177%0.77380%0.802SS**  trans-2.6137.2131.653.10000120.7
799T36.5Very low34.7Very low134 Ų134138 Ų13882%0.82279%0.79SS**  -167123114.524.60000114.8
800N34.6Very low34.8Very low136 Ų136137.7 Ų137.773%0.72779%0.794SS**  trans24.2139.8142.6-69.2-1.4000125.6
801Q35.2Very low34.8Very low191 Ų191133.9 Ų133.989%0.89378%0.783SS**  trans71.7144.2142-70.9169.8-15.400120.2
802G33.3Very low35Very low74 Ų74137 Ų13776%0.76379%0.787SS**  trans15443.1167.200000121.4
803E36.5Very low35Very low206 Ų206137.2 Ų137.296%0.96379%0.789SS**  trans55.7-165.4156.1-60.1-173116.200119.6
804S33.4Very low35.2Very low112 Ų112134.1 Ų134.178%0.78378%0.781SS**  trans-153.1-166.3-157.5-158.10000111.7
805P40.5Very low35.2Very low110 Ų110134.6 Ų134.671%0.71478%0.779SS**  -118.9167.8-97.740-26.2000114.9
806S34.4Very low35.2Very low107 Ų107134 Ų13475%0.74878%0.78SS**  trans175.2164.6143.743.90000114.9
807H38.5Very low35.3Very low158 Ų158136.8 Ų136.873%0.73178%0.781SS**  trans65.296.4159-72-59.2000122.6
808D36Very low35.2Very low138 Ų138140.6 Ų140.674%0.73880%0.804SS**  70.5156.1107.3-73.2-35.6000122.9
809P36.5Very low35.4Very low109 Ų109141.4 Ų141.471%0.70881%0.805SS**  trans-115.4147.9-136.340.2-34000117.6
810L32.6Very low35.3Very low170 Ų170141.7 Ų141.789%0.8980%0.804SS**  trans-144.4158.3155.9-92.9101.3000108.6
811A35.3Very low35.3Very low69 Ų69142.1 Ų142.157%0.5781%0.809SS**  cis-172.2165.7-2700000108.1
812K35.2Very low35.3Very low179 Ų179139.2 Ų139.278%0.77880%0.804SS**  trans56.1106.7159.8-59.7158-177.5173.10117.4
813F35Very low35.5Very low219 Ų219143.3 Ų143.396%0.96181%0.806SS**  -143.1125.8113.4-120.1-78.8000109.7
814T35.5Very low35.4Very low107 Ų107139.1 Ų139.166%0.65680%0.796SS**  trans-124.8152.3-165.836.20000112.7
815T33.6Very low35.5Very low132 Ų132141 Ų14181%0.8180%0.797SS**  trans70.4140149.646.60000121.2
816S32.7Very low35.2Very low114 Ų114143.4 Ų143.480%0.79780%0.803SS**  trans75.8142158.6-102.40000117.3
817I37.1Very low35.2Very low151 Ų151146.4 Ų146.477%0.77481%0.808SS**  cis-126.9146.211.5-63.8176.7000111
818V34.7Very low34.9Very low211 Ų211145.4 Ų145.4100%1.27982%0.815SS**  trans-1.80163.8-172.70000117.3

Retrieved 818 of 818 residues in 314.6 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).