A0A3Q0KIJ2_SCHMA Loading...

DNAj homolog subfamily C member, putative

AlphaFold DB , UniProt , Accession A0A3Q0KIJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 275 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
1M45.1Very low77.9Confident240 Ų24068.9 Ų68.9100%1.18237%0.367SS*.  01210-71.8179.4-9100106.8S3M1-S3 PolarHBondContact O-N 3.03Å
2A55.9Low78.5Confident63 Ų6365.1 Ų65.152%0.52134%0.344SS..  trans-69.8128.7172.400000108.1K7A2-K7 HydrophobicContact CB-CG 4.32Å; A2-K7 VanDerWaalsContact O-CE 3.24Å; A2-K7 WeakPolarHBondContact O-CE 3.19Å; A2-K7 PolarHBondContact O-NZ 2.92Å
3S68.5Low79Confident18 Ų1863.3 Ų63.313%0.12633%0.332CS..  trans-49.5141.5179120.10000110.1M1 L5 L6 K7 I86 E88M1-S3 PolarHBondContact O-N 3.03Å; S3-L5 PolarHBondContact O-N 3.14Å; S3-L5 PolarHBondContact OG-N 2.99Å; S3-L6 PolarHBondContact O-N 3.35Å; S3-L6 PolarHBondContact OG-N 2.7Å; S3-K7 PolarHBondContact O-N 3.48Å; S3-I86 WeakPolarHBondContact CB-O 3.41Å; S3-E88 VanDerWaalsContact C-OE1 3.31Å; S3-E88 WeakPolarHBondContact CB-OE1 3.48Å; S3-E88 PolarHBondContact OG-OE1 3.03Å
4S82Confident79.5Confident58 Ų5870.4 Ų70.441%0.40636%0.362SS..Hα-helixtrans-59-40.7-179.5-167.10000110.5L6 K7 D8 E88S4-L6 PolarHBondContact O-N 2.64Å; S4-K7 WeakPolarHBondContact O-CB 3.45Å; S4-K7 PolarHBondContact O-N 2.76Å; S4-D8 VanDerWaalsContact O-CG 3.3Å; S4-D8 PolarHBondContact O-N 3.28Å; S4-E88 VanDerWaalsContact CB-OE2 3.26Å; S4-E88 WeakPolarHBondContact CB-OE2 3.36Å; S4-E88 PolarHBondContact N-OE1 3.36Å
5L84Confident80Confident5 Ų567.2 Ų67.23%0.02635%0.347CS..Hα-helixtrans-57.7-47.3176.3-174.758.2000112S3 K7 D8 C9 V63 R66 V67 I86 E88S3-L5 PolarHBondContact O-N 3.14Å; S3-L5 PolarHBondContact OG-N 2.99Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.33Å; L5-D8 CarbonylContact O-C 3.59Å; L5-D8 PolarHBondContact O-N 2.85Å; L5-D8 VanDerWaalsContact O-N 3.16Å; L5-C9 PolarHBondContact O-N 3.33Å; L5-C9 PolarHBondContact O-SG 2.9Å; L5-V63 HydrophobicContact CD1-CG1 4.11Å; L5-R66 HydrophobicContact CD1-CB 3.61Å; L5-R66 HydrophobicContact CD2-CB 4.09Å; L5-V67 HydrophobicContact CD1-CG2 3.96Å; L5-V67 HydrophobicContact CD2-CG2 4.32Å; L5-V67 HydrophobicContact CG-CG2 4.28Å; L5-I86 HydrophobicContact CB-CD1 4.42Å; L5-I86 HydrophobicContact CD2-CD1 3.86Å; L5-I86 HydrophobicContact CD2-CG2 4.11Å; L5-I86 HydrophobicContact CG-CD1 4.19Å; L5-E88 HydrophobicContact CB-CG 4.48Å; L5-E88 WeakPolarHBondContact CB-OE1 3.45Å; L5-E88 PolarHBondContact N-OE1 3.21Å
6L84.9Confident80.3Confident25 Ų2572.1 Ų72.113%0.13137%0.365CS..Hα-helixtrans-63-37.4177.4-71.4-179.6000112.4S3 S4 D8 C9 V10 K16 L18 I86S3-L6 PolarHBondContact O-N 3.35Å; S3-L6 PolarHBondContact OG-N 2.7Å; S4-L6 PolarHBondContact O-N 2.64Å; L6-D8 VanDerWaalsContact C-N 3.34Å; L6-C9 PolarHBondContact O-N 3.33Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 2.82Å; L6-V10 VanDerWaalsContact O-N 3.1Å; L6-K16 WeakPolarHBondContact CD2-O 3.36Å; L6-L18 HydrophobicContact CD2-CD2 4.3Å; L6-I86 HydrophobicContact CD1-CD1 4.49Å; L6-I86 HydrophobicContact CD1-CG1 4.43Å; L6-I86 HydrophobicContact CD2-CD1 3.49Å; L6-I86 VanDerWaalsContact CD2-CD1 3.49Å; L6-I86 HydrophobicContact CD2-CG1 4.16Å; L6-I86 HydrophobicContact CG-CD1 3.67Å; L6-I86 HydrophobicContact CG-CG1 4.12Å
7K87.2Confident80.8Confident124 Ų12470.7 Ų70.754%0.53936%0.359SS..Hα-helixtrans-65.2-41.9174.7-67174.5-176.7166.60111A2 S3 S4 L5 V10 K11A2-K7 HydrophobicContact CB-CG 4.32Å; A2-K7 VanDerWaalsContact O-CE 3.24Å; A2-K7 WeakPolarHBondContact O-CE 3.19Å; A2-K7 PolarHBondContact O-NZ 2.92Å; S3-K7 PolarHBondContact O-N 3.48Å; S4-K7 WeakPolarHBondContact O-CB 3.45Å; S4-K7 PolarHBondContact O-N 2.76Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.33Å; K7-V10 PolarHBondContact O-N 2.99Å; K7-K11 WeakPolarHBondContact O-CB 3.38Å; K7-K11 PolarHBondContact O-N 3.05Å
8D86.9Confident81.1Confident37 Ų3766.8 Ų66.820%0.19834%0.339CS..Hα-helixtrans-67.1-39.6177.4-68.7-30000111.5S4 L5 L6 V10 K11 Y12 V63S4-D8 VanDerWaalsContact O-CG 3.3Å; S4-D8 PolarHBondContact O-N 3.28Å; L5-D8 CarbonylContact O-C 3.59Å; L5-D8 PolarHBondContact O-N 2.85Å; L5-D8 VanDerWaalsContact O-N 3.16Å; L6-D8 VanDerWaalsContact C-N 3.34Å; D8-V10 VanDerWaalsContact C-N 3.33Å; D8-V10 PolarHBondContact O-N 3.35Å; D8-K11 PolarHBondContact O-N 2.94Å; D8-K11 VanDerWaalsContact O-N 3.13Å; D8-Y12 HydrophobicContact CB-CD2 4.24Å; D8-Y12 HydrophobicContact CB-CE2 4.44Å; D8-Y12 WeakPolarHBondContact O-CB 3.47Å; D8-Y12 WeakPolarHBondContact O-CD2 3.48Å; D8-Y12 PolarHBondContact O-N 3.24Å; D8-V63 HydrophobicContact CB-CG1 4.21Å; D8-V63 HydrophobicContact CB-CG2 3.6Å
9C86.5Confident81.6Confident0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-58.2-43.9172.6-68.20000111.7L5 L6 K11 F13 H14 T15 V21 V67L5-C9 PolarHBondContact O-N 3.33Å; L5-C9 PolarHBondContact O-SG 2.9Å; L6-C9 PolarHBondContact O-N 3.33Å; C9-K11 VanDerWaalsContact C-N 3.33Å; C9-K11 PolarHBondContact O-N 3.07Å; C9-F13 CarbonylContact O-C 3.59Å; C9-F13 VanDerWaalsContact O-CA 3.3Å; C9-F13 WeakPolarHBondContact O-CA 3.28Å; C9-F13 WeakPolarHBondContact O-CB 3.42Å; C9-F13 PolarHBondContact O-N 3.45Å; C9-H14 PolarHBondContact O-N 2.81Å; C9-H14 VanDerWaalsContact O-N 3.14Å; C9-T15 CarbonylContact C-O 3.56Å; C9-T15 VanDerWaalsContact C-O 3.24Å; C9-T15 VanDerWaalsContact CB-O 3.29Å; C9-T15 WeakPolarHBondContact CB-O 3.48Å; C9-V21 HydrophobicContact CB-CG2 4.08Å; C9-V67 WeakPolarHBondContact SG-CG2 3.31Å
10V87.9Confident81.9Confident56 Ų5666.5 Ų66.534%0.33933%0.334SS..Hα-helixtrans-65.2-39.5175.31740000111.5L6 K7 D8 H14 T15 K16L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 2.82Å; L6-V10 VanDerWaalsContact O-N 3.1Å; K7-V10 PolarHBondContact O-N 2.99Å; D8-V10 VanDerWaalsContact C-N 3.33Å; D8-V10 PolarHBondContact O-N 3.35Å; V10-H14 WeakPolarHBondContact O-CA 3.3Å; V10-H14 PolarHBondContact O-N 2.62Å; V10-H14 VanDerWaalsContact O-N 3.09Å; V10-H14 PolarHBondContact O-ND1 3.2Å; V10-T15 PolarHBondContact N-O 3.08Å; V10-K16 HydrophobicContact CG2-CB 4.37Å; V10-K16 HydrophobicContact CG2-CD 4.2Å; V10-K16 HydrophobicContact CG2-CG 3.24Å
11K88.1Confident82.2Confident132 Ų13263.6 Ų63.657%0.57432%0.32SS*.Hα-helixtrans-66.8-40.6-178.9-174.5177.9179.3-178.10112.6K7 D8 C9K7-K11 WeakPolarHBondContact O-CB 3.38Å; K7-K11 PolarHBondContact O-N 3.05Å; D8-K11 PolarHBondContact O-N 2.94Å; D8-K11 VanDerWaalsContact O-N 3.13Å; C9-K11 VanDerWaalsContact C-N 3.33Å; C9-K11 PolarHBondContact O-N 3.07Å
12Y84.5Confident84.2Confident23 Ų2352.3 Ų52.39%0.0927%0.265CS..Hα-helixtrans-102.2-27.5-171.2-70.7-64.6000114.7D8 E56 K59 R60 V63D8-Y12 HydrophobicContact CB-CD2 4.24Å; D8-Y12 HydrophobicContact CB-CE2 4.44Å; D8-Y12 WeakPolarHBondContact O-CB 3.47Å; D8-Y12 WeakPolarHBondContact O-CD2 3.48Å; D8-Y12 PolarHBondContact O-N 3.24Å; Y12-E56 HydrophobicContact CD1-CG 4.48Å; Y12-E56 HydrophobicContact CE1-CG 4.24Å; Y12-K59 HydrophobicContact CE1-CB 3.92Å; Y12-K59 HydrophobicContact CE1-CD 4.48Å; Y12-K59 HydrophobicContact CE2-CB 4.15Å; Y12-K59 WeakPolarHBondContact OH-CD 3.36Å; Y12-R60 HydrophobicContact CD1-CG 3.7Å; Y12-R60 HydrophobicContact CG-CG 4.1Å; Y12-V63 HydrophobicContact CD2-CG2 3.86Å; Y12-V63 HydrophobicContact CE2-CG2 4.26Å
13F85.6Confident85.6Confident42 Ų4252.5 Ų52.518%0.18427%0.273CS..Hα-helixtrans-124.9-0.5-177-61.7-82.1000113.2C9 T15 V21 H44 R60 V63 L64C9-F13 CarbonylContact O-C 3.59Å; C9-F13 VanDerWaalsContact O-CA 3.3Å; C9-F13 WeakPolarHBondContact O-CA 3.28Å; C9-F13 WeakPolarHBondContact O-CB 3.42Å; C9-F13 PolarHBondContact O-N 3.45Å; F13-T15 HydrophobicContact CB-CG2 4.35Å; F13-T15 PolarHBondContact O-N 3.04Å; F13-V21 HydrophobicContact CB-CG1 4.41Å; F13-V21 HydrophobicContact CB-CG2 4.09Å; F13-V21 HydrophobicContact CD1-CG1 4.15Å; F13-V21 HydrophobicContact CD2-CG1 3.65Å; F13-V21 HydrophobicContact CD2-CG2 4.46Å; F13-V21 HydrophobicContact CE1-CG1 4.32Å; F13-V21 HydrophobicContact CE2-CG1 3.84Å; F13-V21 HydrophobicContact CG-CG1 3.82Å; F13-V21 HydrophobicContact CG-CG2 4.37Å; F13-V21 HydrophobicContact CZ-CG1 4.17Å; F13-H44 AromaticContact CE1-NE2 3.92Å; F13-R60 HydrophobicContact CZ-CB 4.39Å; F13-V63 HydrophobicContact CD2-CG1 4.29Å; F13-V63 HydrophobicContact CE2-CB 4.37Å; F13-V63 HydrophobicContact CE2-CG1 3.98Å; F13-L64 HydrophobicContact CZ-CB 4.33Å; F13-L64 HydrophobicContact CZ-CD1 4.42Å
14H86.4Confident86.4Confident162 Ų16252.6 Ų52.675%0.7528%0.275SS*.SBendtrans60.314.7177.4-50.2-55.5000115.5C9 V10C9-H14 PolarHBondContact O-N 2.81Å; C9-H14 VanDerWaalsContact O-N 3.14Å; V10-H14 WeakPolarHBondContact O-CA 3.3Å; V10-H14 PolarHBondContact O-N 2.62Å; V10-H14 VanDerWaalsContact O-N 3.09Å; V10-H14 PolarHBondContact O-ND1 3.2Å
15T86.8Confident86.6Confident23 Ų2354.3 Ų54.314%0.14128%0.283CS..  trans-133.3148.2177.5-173.40000111C9 V10 F13 N17 E20 V21C9-T15 CarbonylContact C-O 3.56Å; C9-T15 VanDerWaalsContact C-O 3.24Å; C9-T15 VanDerWaalsContact CB-O 3.29Å; C9-T15 WeakPolarHBondContact CB-O 3.48Å; V10-T15 PolarHBondContact N-O 3.08Å; F13-T15 HydrophobicContact CB-CG2 4.35Å; F13-T15 PolarHBondContact O-N 3.04Å; T15-N17 PolarHBondContact OG1-N 3.05Å; T15-N17 VanDerWaalsContact OG1-N 3.08Å; T15-E20 WeakPolarHBondContact CB-OE2 3.32Å; T15-E20 HydrophobicContact CG2-CB 3.87Å; T15-E20 PolarHBondContact OG1-OE2 3.35Å; T15-V21 HydrophobicContact CG2-CG2 3.51Å
16K84.9Confident86.5Confident146 Ų14659.9 Ų59.964%0.63531%0.307SS*.SBendtrans-90-10.1169.4-66.8180-178.1176.40111.7L6 V10 L18L6-K16 WeakPolarHBondContact CD2-O 3.36Å; V10-K16 HydrophobicContact CG2-CB 4.37Å; V10-K16 HydrophobicContact CG2-CD 4.2Å; V10-K16 HydrophobicContact CG2-CG 3.24Å; K16-L18 PolarHBondContact O-N 3.44Å
17N87.9Confident86.3Confident48 Ų4868.2 Ų68.226%0.25734%0.342SS..  trans-88111-174.5-173.9-6.6000110.5T15 Y19 E20 V21 Y80T15-N17 PolarHBondContact OG1-N 3.05Å; T15-N17 VanDerWaalsContact OG1-N 3.08Å; N17-Y19 PolarHBondContact O-N 3.35Å; N17-Y19 WeakPolarHBondContact OD1-CB 3.38Å; N17-Y19 WeakPolarHBondContact OD1-CD2 3.48Å; N17-Y19 PolarHBondContact OD1-N 3.08Å; N17-Y19 VanDerWaalsContact OD1-N 3.16Å; N17-E20 HydrophobicContact CB-CB 4.08Å; N17-E20 HydrophobicContact CB-CG 3.97Å; N17-E20 PolarHBondContact ND2-OE1 2.95Å; N17-E20 WeakPolarHBondContact O-CB 3.36Å; N17-E20 PolarHBondContact O-N 3.22Å; N17-V21 WeakPolarHBondContact O-CG2 3.48Å; N17-V21 PolarHBondContact O-N 3.25Å; N17-Y80 WeakPolarHBondContact CA-OH 3.49Å; N17-Y80 PolarHBondContact OD1-OH 2.93Å
18L87.4Confident86.1Confident0 Ų062.5 Ų62.50%032%0.318CS..Hα-helixtrans-57.6-33.7-179.4-60.6-171.6000113.5L6 K16 V21 L22 V67 Y70 M71 Y80 I86L6-L18 HydrophobicContact CD2-CD2 4.3Å; K16-L18 PolarHBondContact O-N 3.44Å; L18-V21 PolarHBondContact O-N 2.96Å; L18-L22 PolarHBondContact O-N 3.39Å; L18-L22 VanDerWaalsContact O-N 3.16Å; L18-V67 HydrophobicContact CB-CG1 4.02Å; L18-V67 HydrophobicContact CD2-CB 4.43Å; L18-V67 HydrophobicContact CD2-CG1 3.93Å; L18-V67 HydrophobicContact CD2-CG2 3.79Å; L18-V67 HydrophobicContact CG-CG1 4.42Å; L18-Y70 HydrophobicContact CD1-CD1 3.98Å; L18-M71 HydrophobicContact CB-CE 4.26Å; L18-M71 HydrophobicContact CB-CG 4.09Å; L18-M71 HydrophobicContact CB-SD 3.75Å; L18-M71 HydrophobicContact CD1-CG 4.02Å; L18-M71 HydrophobicContact CD1-SD 3.67Å; L18-M71 HydrophobicContact CG-SD 4.39Å; L18-Y80 HydrophobicContact CB-CE1 4.07Å; L18-Y80 HydrophobicContact CD1-CD1 4.26Å; L18-Y80 HydrophobicContact CD1-CD2 3.94Å; L18-Y80 HydrophobicContact CD1-CE1 4.22Å; L18-Y80 HydrophobicContact CD1-CE2 3.91Å; L18-Y80 HydrophobicContact CD1-CG 4.12Å; L18-Y80 HydrophobicContact CG-CD2 4.33Å; L18-Y80 HydrophobicContact CG-CE1 4.14Å; L18-Y80 HydrophobicContact CG-CE2 3.77Å; L18-Y80 PolarHBondContact N-OH 3.19Å; L18-I86 HydrophobicContact CD1-CD1 3.65Å; L18-I86 HydrophobicContact CD1-CG1 4.23Å; L18-I86 HydrophobicContact CD2-CD1 3.8Å; L18-I86 HydrophobicContact CG-CD1 4.06Å
19Y89.6Confident86.1Confident8 Ų867 Ų673%0.03134%0.338CS..Hα-helixtrans-65-40.6175.8-68.1-75.7000111.6N17 L22 G23 A24 T25 K26 M71 R77 Y80 D81N17-Y19 PolarHBondContact O-N 3.35Å; N17-Y19 WeakPolarHBondContact OD1-CB 3.38Å; N17-Y19 WeakPolarHBondContact OD1-CD2 3.48Å; N17-Y19 PolarHBondContact OD1-N 3.08Å; N17-Y19 VanDerWaalsContact OD1-N 3.16Å; Y19-L22 PolarHBondContact O-N 3.49Å; Y19-G23 PolarHBondContact O-N 2.9Å; Y19-A24 CarbonylContact C-O 3.58Å; Y19-A24 WeakPolarHBondContact CB-O 3.43Å; Y19-A24 PolarHBondContact O-N 2.94Å; Y19-T25 WeakPolarHBondContact CD1-O 3.41Å; Y19-K26 HydrophobicContact CD2-CB 4.46Å; Y19-K26 HydrophobicContact CE2-CB 4.3Å; Y19-K26 HydrophobicContact CE2-CG 3.91Å; Y19-M71 HydrophobicContact CD1-CE 3.43Å; Y19-M71 VanDerWaalsContact CD1-CE 3.43Å; Y19-M71 HydrophobicContact CD2-CE 4.03Å; Y19-M71 HydrophobicContact CE1-CE 3.14Å; Y19-M71 HydrophobicContact CE2-CE 3.78Å; Y19-M71 HydrophobicContact CG-CE 3.87Å; Y19-R77 PolarHBondContact OH-NE 3.18Å; Y19-R77 PolarHBondContact OH-NH2 3.32Å; Y19-Y80 HydrophobicContact CD2-CE1 4.06Å; Y19-Y80 HydrophobicContact CE2-CD1 4.27Å; Y19-Y80 AromaticContact CE2-CE1 3.85Å; Y19-Y80 HydrophobicContact CE2-CE1 3.85Å; Y19-D81 WeakPolarHBondContact CE2-OD1 3.5Å; Y19-D81 PolarHBondContact OH-OD1 2.91Å; Y19-D81 PolarHBondContact OH-OD2 2.79Å
20E88.5Confident86.1Confident119 Ų11970.8 Ų70.856%0.55635%0.354SS*.Hα-helixtrans-70.1-36.8177.4-70.8167.2-153.700111.7T15 N17 L22 G23T15-E20 WeakPolarHBondContact CB-OE2 3.32Å; T15-E20 HydrophobicContact CG2-CB 3.87Å; T15-E20 PolarHBondContact OG1-OE2 3.35Å; N17-E20 HydrophobicContact CB-CB 4.08Å; N17-E20 HydrophobicContact CB-CG 3.97Å; N17-E20 PolarHBondContact ND2-OE1 2.95Å; N17-E20 WeakPolarHBondContact O-CB 3.36Å; N17-E20 PolarHBondContact O-N 3.22Å; E20-L22 VanDerWaalsContact C-N 3.26Å; E20-L22 PolarHBondContact O-N 3.26Å; E20-G23 PolarHBondContact O-N 3.34Å
21V87.7Confident86Confident6 Ų672.4 Ų72.44%0.03636%0.364CS..Hα-helixtrans-57.2-42.8173.6177.40000110.9C9 F13 T15 N17 L18 G23 L40 L64 V67C9-V21 HydrophobicContact CB-CG2 4.08Å; F13-V21 HydrophobicContact CB-CG1 4.41Å; F13-V21 HydrophobicContact CB-CG2 4.09Å; F13-V21 HydrophobicContact CD1-CG1 4.15Å; F13-V21 HydrophobicContact CD2-CG1 3.65Å; F13-V21 HydrophobicContact CD2-CG2 4.46Å; F13-V21 HydrophobicContact CE1-CG1 4.32Å; F13-V21 HydrophobicContact CE2-CG1 3.84Å; F13-V21 HydrophobicContact CG-CG1 3.82Å; F13-V21 HydrophobicContact CG-CG2 4.37Å; F13-V21 HydrophobicContact CZ-CG1 4.17Å; T15-V21 HydrophobicContact CG2-CG2 3.51Å; N17-V21 WeakPolarHBondContact O-CG2 3.48Å; N17-V21 PolarHBondContact O-N 3.25Å; L18-V21 PolarHBondContact O-N 2.96Å; V21-G23 VanDerWaalsContact C-N 3.35Å; V21-L40 VanDerWaalsContact O-CD1 3.26Å; V21-L40 WeakPolarHBondContact O-CD1 3.49Å; V21-L64 HydrophobicContact CG1-CD1 4.29Å; V21-V67 HydrophobicContact CB-CG1 4.48Å; V21-V67 HydrophobicContact CG1-CG1 4.4Å; V21-V67 HydrophobicContact CG1-CG2 4.32Å
22L87.3Confident86Confident3 Ų370.9 Ų70.92%0.01636%0.359CS..Hα-helixtrans-80.6-13.5176.9-68.1174.3000113.3L18 Y19 E20 A24 L33 A36 F37 L40 L64 V67 M71L18-L22 PolarHBondContact O-N 3.39Å; L18-L22 VanDerWaalsContact O-N 3.16Å; Y19-L22 PolarHBondContact O-N 3.49Å; E20-L22 VanDerWaalsContact C-N 3.26Å; E20-L22 PolarHBondContact O-N 3.26Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 HydrophobicContact CB-CB 4.43Å; L22-L33 HydrophobicContact CD1-CD2 3.68Å; L22-A36 WeakPolarHBondContact O-CB 3.26Å; L22-F37 HydrophobicContact CD2-CB 4.33Å; L22-F37 HydrophobicContact CD2-CD2 4.48Å; L22-L40 WeakPolarHBondContact O-CD1 3.42Å; L22-L64 HydrophobicContact CD2-CD1 3.69Å; L22-V67 HydrophobicContact CD1-CG1 4.03Å; L22-V67 HydrophobicContact CD2-CG1 4.36Å; L22-V67 HydrophobicContact CG-CG1 3.91Å; L22-M71 HydrophobicContact CD1-CB 4.23Å; L22-M71 HydrophobicContact CD1-CG 4.21Å
23G84.5Confident86.2Confident68 Ų6869.9 Ų69.970%0.70136%0.355SS*.THydrogen-bonded Turntrans68.829.2-171.800000113.5Y19 E20 V21Y19-G23 PolarHBondContact O-N 2.9Å; E20-G23 PolarHBondContact O-N 3.34Å; V21-G23 VanDerWaalsContact C-N 3.35Å
24A86.6Confident86.3Confident20 Ų2076.1 Ų76.117%0.16538%0.378CS..  trans-108.2164.9178.600000111.5Y19 L22 C28 L33Y19-A24 CarbonylContact C-O 3.58Å; Y19-A24 WeakPolarHBondContact CB-O 3.43Å; Y19-A24 PolarHBondContact O-N 2.94Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 HydrophobicContact CB-CB 4.43Å; A24-C28 HydrophobicContact CB-CB 4.12Å; A24-L33 HydrophobicContact CB-CD2 3.91Å
25T86.1Confident86.5Confident94 Ų9475 Ų7558%0.57737%0.37SS*.  trans-95.9158.3174.469.10000110.9Y19 K27 C28Y19-T25 WeakPolarHBondContact CD1-O 3.41Å; T25-K27 PolarHBondContact O-N 3.36Å; T25-K27 VanDerWaalsContact O-N 3.08Å; T25-C28 WeakPolarHBondContact O-CB 3.44Å; T25-C28 PolarHBondContact O-N 3.34Å; T25-C28 PolarHBondContact O-SG 3.32Å
26K81Confident86.6Confident122 Ų12274.7 Ų74.753%0.5337%0.37SS..THydrogen-bonded Turntrans-55.9-30.7179.3-171.1169.2-174.8170.80113.2Y19 C28 R77 D81Y19-K26 HydrophobicContact CD2-CB 4.46Å; Y19-K26 HydrophobicContact CE2-CB 4.3Å; Y19-K26 HydrophobicContact CE2-CG 3.91Å; K26-C28 VanDerWaalsContact C-N 3.33Å; K26-R77 PolarHBondContact O-NH2 3.35Å; K26-D81 VanDerWaalsContact CE-OD1 3.28Å; K26-D81 WeakPolarHBondContact CE-OD1 3.35Å; K26-D81 PolarHBondContact NZ-O 3.2Å
27K81.5Confident86.8Confident199 Ų19969.5 Ų69.587%0.86535%0.348SS*.THydrogen-bonded Turntrans-88.710.8179.1-64.3-171.2176.2-173.70114.1T25T25-K27 PolarHBondContact O-N 3.36Å; T25-K27 VanDerWaalsContact O-N 3.08Å
28C83.1Confident86.9Confident4 Ų474.3 Ų74.33%0.02736%0.364CS..  trans-66.6143.9-177.1650000112.6A24 T25 K26 E32 L33 R77A24-C28 HydrophobicContact CB-CB 4.12Å; T25-C28 WeakPolarHBondContact O-CB 3.44Å; T25-C28 PolarHBondContact O-N 3.34Å; T25-C28 PolarHBondContact O-SG 3.32Å; K26-C28 VanDerWaalsContact C-N 3.33Å; C28-E32 VanDerWaalsContact CA-OE2 3.25Å; C28-E32 WeakPolarHBondContact CA-OE2 3.06Å; C28-E32 HydrophobicContact CB-CB 4.15Å; C28-E32 WeakPolarHBondContact CB-OE2 3.15Å; C28-L33 WeakPolarHBondContact SG-CD2 3.22Å; C28-L33 VanDerWaalsContact SG-CG 3.55Å; C28-R77 PolarHBondContact O-NH1 3.02Å; C28-R77 PolarHBondContact O-NH2 3.38Å
29E86.1Confident87Confident131 Ų13181.6 Ų81.661%0.61240%0.395SS*.  trans-76.4157.5171.8-77.3-68.815700111T31 E32 L33E29-T31 PolarHBondContact O-N 2.92Å; E29-T31 VanDerWaalsContact O-N 3.14Å; E29-E32 HydrophobicContact CB-CG 4.39Å; E29-E32 PolarHBondContact N-OE2 3.12Å; E29-E32 WeakPolarHBondContact O-CB 3.42Å; E29-E32 PolarHBondContact O-N 3.48Å; E29-L33 PolarHBondContact O-N 3.43Å; E29-L33 VanDerWaalsContact O-N 3.15Å
30K85.9Confident86.8Confident81 Ų8183 Ų8335%0.35240%0.403SS..Hα-helixtrans-55.6-35177.1-67.4-165.2-177.3-158.10112.9E32 L33 R34 E72 D74K30-E32 VanDerWaalsContact C-N 3.28Å; K30-E32 PolarHBondContact O-N 2.94Å; K30-L33 PolarHBondContact O-N 2.93Å; K30-R34 PolarHBondContact O-N 3.07Å; K30-E72 PolarHBondContact NZ-O 2.94Å; K30-D74 WeakPolarHBondContact CE-OD1 3.36Å; K30-D74 VanDerWaalsContact CE-OD2 3.23Å; K30-D74 WeakPolarHBondContact CE-OD2 3.48Å; K30-D74 IonicContact NZ-OD1 3.08Å; K30-D74 PolarHBondContact NZ-OD1 3.47Å; K30-D74 IonicContact NZ-OD2 2.66Å; K30-D74 PolarHBondContact NZ-OD2 3.35Å
31T87.1Confident86.7Confident90 Ų9078 Ų7855%0.55238%0.381SS*.Hα-helixtrans-65.4-32.2178.562.80000112.3E29 K35E29-T31 PolarHBondContact O-N 2.92Å; E29-T31 VanDerWaalsContact O-N 3.14Å; T31-K35 VanDerWaalsContact O-CG 3.3Å; T31-K35 WeakPolarHBondContact O-CG 3.16Å; T31-K35 PolarHBondContact O-N 3.11Å
32E88.6Confident86.5Confident100 Ų10081.2 Ų81.247%0.46740%0.398SS..Hα-helixtrans-73.5-42.8175.1-63-175.7157.400111C28 E29 K30 R34 K35 A36C28-E32 VanDerWaalsContact CA-OE2 3.25Å; C28-E32 WeakPolarHBondContact CA-OE2 3.06Å; C28-E32 HydrophobicContact CB-CB 4.15Å; C28-E32 WeakPolarHBondContact CB-OE2 3.15Å; E29-E32 HydrophobicContact CB-CG 4.39Å; E29-E32 PolarHBondContact N-OE2 3.12Å; E29-E32 WeakPolarHBondContact O-CB 3.42Å; E29-E32 PolarHBondContact O-N 3.48Å; K30-E32 VanDerWaalsContact C-N 3.28Å; K30-E32 PolarHBondContact O-N 2.94Å; E32-R34 VanDerWaalsContact C-N 3.32Å; E32-R34 PolarHBondContact O-N 3.24Å; E32-K35 PolarHBondContact O-N 3.48Å; E32-A36 WeakPolarHBondContact O-CB 3.14Å; E32-A36 PolarHBondContact O-N 3.45Å
33L87.7Confident86.2Confident1 Ų185.5 Ų85.51%0.00542%0.42CS..Hα-helixtrans-56.6-46.2174.4-71.3173.8000111.4L22 A24 C28 E29 K30 K35 A36 F37 Y68 M71L22-L33 HydrophobicContact CD1-CD2 3.68Å; A24-L33 HydrophobicContact CB-CD2 3.91Å; C28-L33 WeakPolarHBondContact SG-CD2 3.22Å; C28-L33 VanDerWaalsContact SG-CG 3.55Å; E29-L33 PolarHBondContact O-N 3.43Å; E29-L33 VanDerWaalsContact O-N 3.15Å; K30-L33 PolarHBondContact O-N 2.93Å; L33-K35 PolarHBondContact O-N 2.82Å; L33-A36 PolarHBondContact O-N 2.75Å; L33-F37 WeakPolarHBondContact O-CB 3.28Å; L33-F37 PolarHBondContact O-N 3.03Å; L33-Y68 HydrophobicContact CB-CE2 4.49Å; L33-M71 HydrophobicContact CD1-CB 4.25Å; L33-M71 WeakPolarHBondContact CD1-O 3.5Å; L33-M71 HydrophobicContact CD2-CE 4.48Å
34R88.1Confident86.1Confident173 Ų17383.1 Ų83.165%0.65339%0.391SS*.Hα-helixtrans-62.4-41.8177.8-170.1173.3-175.3-170.53.3112.5K30 E32 Y38 Y68K30-R34 PolarHBondContact O-N 3.07Å; E32-R34 VanDerWaalsContact C-N 3.32Å; E32-R34 PolarHBondContact O-N 3.24Å; R34-Y38 WeakPolarHBondContact O-CB 3.45Å; R34-Y38 PolarHBondContact O-N 2.82Å; R34-Y68 HydrophobicContact CB-CE2 4.24Å; R34-Y68 WeakPolarHBondContact CG-OH 3.41Å
35K89.6Confident85.7Confident138 Ų13886.1 Ų86.160%0.640%0.401SS*.Hα-helixtrans-65-41.1175.8-75.1172.4-177.6175.10111.7T31 E32 L33 Y38 K39T31-K35 VanDerWaalsContact O-CG 3.3Å; T31-K35 WeakPolarHBondContact O-CG 3.16Å; T31-K35 PolarHBondContact O-N 3.11Å; E32-K35 PolarHBondContact O-N 3.48Å; L33-K35 PolarHBondContact O-N 2.82Å; K35-Y38 PolarHBondContact O-N 2.68Å; K35-K39 WeakPolarHBondContact O-CG 3.33Å; K35-K39 PolarHBondContact O-N 3.11Å; K35-K39 VanDerWaalsContact O-N 3.11Å
36A89.1Confident85.2Confident17 Ų1783 Ų8314%0.1438%0.383CS..Hα-helixtrans-67.3-45.9179.800000111.2L22 E32 L33 Y38 K39 L40L22-A36 WeakPolarHBondContact O-CB 3.26Å; E32-A36 WeakPolarHBondContact O-CB 3.14Å; E32-A36 PolarHBondContact O-N 3.45Å; L33-A36 PolarHBondContact O-N 2.75Å; A36-Y38 PolarHBondContact O-N 3.45Å; A36-K39 PolarHBondContact O-N 3.07Å; A36-L40 PolarHBondContact O-N 2.64Å
37F90.7Very high85.2Confident37 Ų3783.5 Ų83.516%0.16239%0.391CS..Hα-helixtrans-57.9-45.2172.6175.9-111.3000112.1L22 L33 K39 L40 S41 L64 Y68L22-F37 HydrophobicContact CD2-CB 4.33Å; L22-F37 HydrophobicContact CD2-CD2 4.48Å; L33-F37 WeakPolarHBondContact O-CB 3.28Å; L33-F37 PolarHBondContact O-N 3.03Å; F37-K39 PolarHBondContact O-N 3.21Å; F37-L40 PolarHBondContact O-N 2.81Å; F37-S41 WeakPolarHBondContact CE1-OG 3.44Å; F37-S41 VanDerWaalsContact CE2-OG 3.24Å; F37-S41 WeakPolarHBondContact CE2-OG 3.46Å; F37-S41 WeakPolarHBondContact CZ-OG 3.47Å; F37-S41 WeakPolarHBondContact O-CB 3.35Å; F37-S41 PolarHBondContact O-N 2.92Å; F37-S41 PolarHBondContact O-OG 2.72Å; F37-L64 HydrophobicContact CD2-CD1 4.5Å; F37-L64 HydrophobicContact CD2-CD2 4.03Å; F37-L64 HydrophobicContact CD2-CG 3.8Å; F37-L64 HydrophobicContact CE2-CD2 4.04Å; F37-L64 HydrophobicContact CE2-CG 3.84Å; F37-Y68 HydrophobicContact CB-CD2 3.37Å; F37-Y68 HydrophobicContact CB-CE2 3.84Å; F37-Y68 HydrophobicContact CB-CG 3.8Å; F37-Y68 AromaticContact CD1-CD1 3.76Å; F37-Y68 HydrophobicContact CD1-CD1 3.76Å; F37-Y68 HydrophobicContact CD1-CD2 4.04Å; F37-Y68 HydrophobicContact CD1-CE1 4.05Å; F37-Y68 HydrophobicContact CD1-CE2 4.28Å; F37-Y68 AromaticContact CD1-CG 3.75Å; F37-Y68 HydrophobicContact CD1-CG 3.75Å; F37-Y68 HydrophobicContact CD2-CD1 4.3Å; F37-Y68 HydrophobicContact CD2-CD2 4.14Å; F37-Y68 AromaticContact CD2-CG 3.67Å; F37-Y68 HydrophobicContact CD2-CG 3.67Å; F37-Y68 AromaticContact CE1-CD1 3.92Å; F37-Y68 HydrophobicContact CE1-CD1 3.92Å; F37-Y68 HydrophobicContact CE1-CE1 4.35Å; F37-Y68 HydrophobicContact CE1-CG 4.23Å; F37-Y68 HydrophobicContact CE2-CD1 4.45Å; F37-Y68 HydrophobicContact CE2-CG 4.17Å; F37-Y68 AromaticContact CG-CD1 3.96Å; F37-Y68 HydrophobicContact CG-CD1 3.96Å; F37-Y68 AromaticContact CG-CD2 3.58Å; F37-Y68 HydrophobicContact CG-CD2 3.58Å; F37-Y68 HydrophobicContact CG-CE2 4.18Å; F37-Y68 AromaticContact CG-CG 3.44Å; F37-Y68 HydrophobicContact CG-CG 3.44Å; F37-Y68 VanDerWaalsContact CG-CG 3.44Å; F37-Y68 HydrophobicContact CZ-CD1 4.27Å; F37-Y68 HydrophobicContact CZ-CG 4.42Å
38Y88.7Confident84.8Confident149 Ų14982.1 Ų82.158%0.58438%0.381SS*.Hα-helixtrans-59.9-44.4178-177-104000112.2R34 K35 A36 S41 L42R34-Y38 WeakPolarHBondContact O-CB 3.45Å; R34-Y38 PolarHBondContact O-N 2.82Å; K35-Y38 PolarHBondContact O-N 2.68Å; A36-Y38 PolarHBondContact O-N 3.45Å; Y38-S41 PolarHBondContact O-N 3.02Å; Y38-L42 HydrophobicContact CD1-CD1 3.96Å; Y38-L42 HydrophobicContact CE1-CD1 3.44Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.44Å; Y38-L42 HydrophobicContact CE1-CG 4.32Å; Y38-L42 HydrophobicContact CE2-CD1 4.41Å; Y38-L42 WeakPolarHBondContact O-CG 3.31Å; Y38-L42 PolarHBondContact O-N 2.99Å
39K88.7Confident84.4Confident154 Ų15484.8 Ų84.867%0.6739%0.393SS*.Hα-helixtrans-61.8-46.2177.3-72.2174.4-178-1780112.3K35 A36 F37 L42 L43K35-K39 WeakPolarHBondContact O-CG 3.33Å; K35-K39 PolarHBondContact O-N 3.11Å; K35-K39 VanDerWaalsContact O-N 3.11Å; A36-K39 PolarHBondContact O-N 3.07Å; F37-K39 PolarHBondContact O-N 3.21Å; K39-L42 PolarHBondContact O-N 2.86Å; K39-L43 PolarHBondContact O-N 3.33Å
40L86Confident83.8Confident36 Ų3684.9 Ų84.919%0.18840%0.398CS..Hα-helixtrans-72.5-34-179.6-71.7168.8000112.2V21 L22 A36 F37 L43 H44 L64V21-L40 VanDerWaalsContact O-CD1 3.26Å; V21-L40 WeakPolarHBondContact O-CD1 3.49Å; L22-L40 WeakPolarHBondContact O-CD1 3.42Å; A36-L40 PolarHBondContact O-N 2.64Å; F37-L40 PolarHBondContact O-N 2.81Å; L40-L43 WeakPolarHBondContact O-CB 3.42Å; L40-L43 PolarHBondContact O-N 3.49Å; L40-L43 VanDerWaalsContact O-N 3.12Å; L40-H44 PolarHBondContact O-CD2 2.85Å; L40-H44 PolarHBondContact O-N 3.39Å; L40-L64 HydrophobicContact CB-CD1 3.98Å; L40-L64 HydrophobicContact CB-CD2 3.47Å; L40-L64 VanDerWaalsContact CB-CD2 3.47Å; L40-L64 HydrophobicContact CB-CG 4.36Å; L40-L64 HydrophobicContact CD1-CD1 3.85Å
41S86.3Confident82.9Confident14 Ų1485.7 Ų85.710%0.09841%0.413CS..Hα-helixtrans-60.4-46.3173.5-70.80000111F37 Y38 L43 H44 H45F37-S41 WeakPolarHBondContact CE1-OG 3.44Å; F37-S41 VanDerWaalsContact CE2-OG 3.24Å; F37-S41 WeakPolarHBondContact CE2-OG 3.46Å; F37-S41 WeakPolarHBondContact CZ-OG 3.47Å; F37-S41 WeakPolarHBondContact O-CB 3.35Å; F37-S41 PolarHBondContact O-N 2.92Å; F37-S41 PolarHBondContact O-OG 2.72Å; Y38-S41 PolarHBondContact O-N 3.02Å; S41-L43 PolarHBondContact O-N 3.02Å; S41-H44 PolarHBondContact O-N 3Å; S41-H45 WeakPolarHBondContact O-CB 3.44Å; S41-H45 PolarHBondContact O-N 3.25Å
42L84.3Confident82.3Confident74 Ų7488.4 Ų88.439%0.38743%0.425SS..Hα-helixtrans-63.7-30.3174.7-71.6175.4000112.7Y38 K39 R48Y38-L42 HydrophobicContact CD1-CD1 3.96Å; Y38-L42 HydrophobicContact CE1-CD1 3.44Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.44Å; Y38-L42 HydrophobicContact CE1-CG 4.32Å; Y38-L42 HydrophobicContact CE2-CD1 4.41Å; Y38-L42 WeakPolarHBondContact O-CG 3.31Å; Y38-L42 PolarHBondContact O-N 2.99Å; K39-L42 PolarHBondContact O-N 2.86Å; L42-R48 WeakPolarHBondContact O-CD 3.37Å; L42-R48 PolarHBondContact O-NH1 3.25Å
43L81.5Confident81.8Confident94 Ų9486.4 Ų86.449%0.49242%0.422SS..Hα-helixtrans-74.8-38.4177.9-176.262.6000112.1K39 L40 S41 H49K39-L43 PolarHBondContact O-N 3.33Å; L40-L43 WeakPolarHBondContact O-CB 3.42Å; L40-L43 PolarHBondContact O-N 3.49Å; L40-L43 VanDerWaalsContact O-N 3.12Å; S41-L43 PolarHBondContact O-N 3.02Å; L43-H49 PolarHBondContact O-NE2 3.49Å
44H81.2Confident81.3Confident18 Ų1891.1 Ų91.18%0.08344%0.442CS..Hα-helixtrans-101.49.7-176.2-63.2-55.8000114.1F13 L40 S41 R60 F61F13-H44 AromaticContact CE1-NE2 3.92Å; L40-H44 PolarHBondContact O-CD2 2.85Å; L40-H44 PolarHBondContact O-N 3.39Å; S41-H44 PolarHBondContact O-N 3Å; H44-R60 HydrophobicContact CB-CB 4.33Å; H44-F61 HydrophobicContact CB-CB 4.47Å
45H78.1Confident81Confident82 Ų8286.4 Ų86.438%0.3844%0.436SS..  trans-65.2128179.5-166.4-91000111.1S41 D47 R48 H49S41-H45 WeakPolarHBondContact O-CB 3.44Å; S41-H45 PolarHBondContact O-N 3.25Å; H45-D47 WeakPolarHBondContact ND1-CB 3.46Å; H45-D47 PolarHBondContact ND1-N 3.35Å; H45-D47 PolarHBondContact O-N 2.94Å; H45-R48 PolarHBondContact O-N 2.88Å; H45-H49 PolarHBondContact O-CD2 3.41Å; H45-H49 VanDerWaalsContact O-CD2 3.26Å
46P76.4Confident80.6Confident30 Ų3084.1 Ų84.120%0.19543%0.427CS..G310 helixtrans-63.4-15.1-171.925.8-36.3000114.7K54P46-K54 HydrophobicContact CB-CG 3.99Å
47D79.8Confident80.3Confident132 Ų13283.6 Ų83.671%0.70642%0.422SS*.G310 helixtrans-77.2-19.9177.3-163.246000113.6H45H45-D47 WeakPolarHBondContact ND1-CB 3.46Å; H45-D47 PolarHBondContact ND1-N 3.35Å; H45-D47 PolarHBondContact O-N 2.94Å
48R74.3Confident80Confident169 Ų16984 Ų8464%0.63843%0.428SS*.G310 helixtrans-93.6-0.4-179.3-62.2-177.576.6-168.22.8113.7L42 H45L42-R48 WeakPolarHBondContact O-CD 3.37Å; L42-R48 PolarHBondContact O-NH1 3.25Å; H45-R48 PolarHBondContact O-N 2.88Å
49H74Confident79.9Confident60 Ų6081.3 Ų81.328%0.27842%0.419SS..SBendtrans-118.2141.1-173.8-66.8-76.5000110.6L43 H45 A57L43-H49 PolarHBondContact O-NE2 3.49Å; H45-H49 PolarHBondContact O-CD2 3.41Å; H45-H49 VanDerWaalsContact O-CD2 3.26Å; H49-A57 HydrophobicContact CB-CB 4.22Å; H49-A57 VanDerWaalsContact CD2-CB 3.43Å; H49-A57 WeakPolarHBondContact CD2-CB 3.31Å
50D73.3Confident79.8Confident134 Ų13477.5 Ų77.572%0.71740%0.401SS*.  trans-62.6161.9176-58.8-44.1000111.7D52 S53 K54D50-D52 PolarHBondContact O-N 3.19Å; D50-S53 PolarHBondContact O-N 3.42Å; D50-K54 PolarHBondContact O-N 3.26Å
51S68.4Low79.8Confident98 Ų9878.6 Ų78.669%0.68540%0.404SS*.Hα-helixtrans-49.2-38.9-172.552.90000114
52D74.2Confident79.9Confident147 Ų14782.8 Ų82.879%0.78642%0.422SS*.Hα-helixtrans-73.4-34.9-176.3-61.7-15.1000112.1D50D50-D52 PolarHBondContact O-N 3.19Å
53S76.7Confident80.1Confident58 Ų5879.6 Ų79.641%0.40641%0.406SS..Hα-helixtrans-89.6-14.1179.9-65.30000113D50 S55 E56 A57D50-S53 PolarHBondContact O-N 3.42Å; S53-S55 VanDerWaalsContact C-N 3.32Å; S53-S55 PolarHBondContact O-N 2.91Å; S53-E56 PolarHBondContact O-N 2.71Å; S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.5Å
54K79Confident80.5Confident100 Ų10075.1 Ų75.144%0.43538%0.382SS..Hα-helixtrans-58.6-39.2-176.4-168.9167.8-172169.30113.4P46 D50 T58P46-K54 HydrophobicContact CB-CG 3.99Å; D50-K54 PolarHBondContact O-N 3.26Å; K54-T58 WeakPolarHBondContact O-CB 3.4Å; K54-T58 PolarHBondContact O-N 3.44Å; K54-T58 PolarHBondContact O-OG1 3.15Å
55S80.8Confident80.8Confident74 Ų7475.7 Ų75.752%0.51739%0.388SS..Hα-helixtrans-65.4-43.2178.3-175.90000111.9S53 T58 K59S53-S55 VanDerWaalsContact C-N 3.32Å; S53-S55 PolarHBondContact O-N 2.91Å; S55-T58 PolarHBondContact O-N 2.93Å; S55-K59 WeakPolarHBondContact O-CG 3.16Å; S55-K59 PolarHBondContact O-N 3.5Å
56E82Confident81.3Confident90 Ų9078 Ų7842%0.42139%0.394SS..Hα-helixtrans-70.6-43.4178.4-165.4-176.9167.600111.6Y12 S53 T58 K59 R60Y12-E56 HydrophobicContact CD1-CG 4.48Å; Y12-E56 HydrophobicContact CE1-CG 4.24Å; S53-E56 PolarHBondContact O-N 2.71Å; E56-T58 VanDerWaalsContact C-N 3.28Å; E56-T58 PolarHBondContact O-N 2.85Å; E56-K59 PolarHBondContact O-N 3.37Å; E56-K59 VanDerWaalsContact O-N 3.15Å; E56-R60 WeakPolarHBondContact O-CG 3.35Å; E56-R60 PolarHBondContact O-N 3.34Å; E56-R60 IonicContact OE1-CZ 2.77Å; E56-R60 VanDerWaalsContact OE1-CZ 3.26Å; E56-R60 IonicContact OE1-NE 3.2Å; E56-R60 PolarHBondContact OE1-NE 3.23Å; E56-R60 VanDerWaalsContact OE1-NE 3.08Å; E56-R60 IonicContact OE1-NH2 3.75Å; E56-R60 PolarHBondContact OE1-NH2 3.06Å
57A82.1Confident81.9Confident5 Ų576.5 Ų76.54%0.04138%0.384CS..Hα-helixtrans-56.9-43.2174.600000111.6H49 S53 K59 R60 F61H49-A57 HydrophobicContact CB-CB 4.22Å; H49-A57 VanDerWaalsContact CD2-CB 3.43Å; H49-A57 WeakPolarHBondContact CD2-CB 3.31Å; S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.5Å; A57-K59 PolarHBondContact O-N 3.15Å; A57-R60 PolarHBondContact O-N 3.13Å; A57-F61 VanDerWaalsContact O-CB 3.31Å; A57-F61 WeakPolarHBondContact O-CB 3.24Å; A57-F61 PolarHBondContact O-N 3.24Å
58T84.7Confident82.4Confident46 Ų4671.2 Ų71.228%0.28236%0.355SS..Hα-helixtrans-59.5-45.3175.9-56.90000111.6K54 S55 E56 F61 Q62K54-T58 WeakPolarHBondContact O-CB 3.4Å; K54-T58 PolarHBondContact O-N 3.44Å; K54-T58 PolarHBondContact O-OG1 3.15Å; S55-T58 PolarHBondContact O-N 2.93Å; E56-T58 VanDerWaalsContact C-N 3.28Å; E56-T58 PolarHBondContact O-N 2.85Å; T58-F61 PolarHBondContact O-N 2.9Å; T58-Q62 VanDerWaalsContact O-CG 3.31Å; T58-Q62 WeakPolarHBondContact O-CG 3.36Å; T58-Q62 PolarHBondContact O-N 2.97Å
59K86.7Confident83.1Confident93 Ų9366.6 Ų66.640%0.40435%0.348SS..Hα-helixtrans-66.8-44.3178.3-67.3-179.5-169.1176.30111.7Y12 S55 E56 A57 F61 Q62 V63Y12-K59 HydrophobicContact CE1-CB 3.92Å; Y12-K59 HydrophobicContact CE1-CD 4.48Å; Y12-K59 HydrophobicContact CE2-CB 4.15Å; Y12-K59 WeakPolarHBondContact OH-CD 3.36Å; S55-K59 WeakPolarHBondContact O-CG 3.16Å; S55-K59 PolarHBondContact O-N 3.5Å; E56-K59 PolarHBondContact O-N 3.37Å; E56-K59 VanDerWaalsContact O-N 3.15Å; A57-K59 PolarHBondContact O-N 3.15Å; K59-F61 VanDerWaalsContact C-N 3.27Å; K59-F61 PolarHBondContact O-N 3.06Å; K59-Q62 PolarHBondContact O-N 3.41Å; K59-V63 VanDerWaalsContact O-CG2 3.25Å; K59-V63 WeakPolarHBondContact O-CG2 3.3Å; K59-V63 PolarHBondContact O-N 3.39Å
60R85.9Confident83.6Confident74 Ų7464.3 Ų64.328%0.27934%0.337SS..Hα-helixtrans-56.9-42.9174.3-70.1179.9-178.2-155.16111.2Y12 F13 H44 E56 A57 V63 L64Y12-R60 HydrophobicContact CD1-CG 3.7Å; Y12-R60 HydrophobicContact CG-CG 4.1Å; F13-R60 HydrophobicContact CZ-CB 4.39Å; H44-R60 HydrophobicContact CB-CB 4.33Å; E56-R60 WeakPolarHBondContact O-CG 3.35Å; E56-R60 PolarHBondContact O-N 3.34Å; E56-R60 IonicContact OE1-CZ 2.77Å; E56-R60 VanDerWaalsContact OE1-CZ 3.26Å; E56-R60 IonicContact OE1-NE 3.2Å; E56-R60 PolarHBondContact OE1-NE 3.23Å; E56-R60 VanDerWaalsContact OE1-NE 3.08Å; E56-R60 IonicContact OE1-NH2 3.75Å; E56-R60 PolarHBondContact OE1-NH2 3.06Å; A57-R60 PolarHBondContact O-N 3.13Å; R60-V63 PolarHBondContact O-N 3.47Å; R60-L64 VanDerWaalsContact O-CB 3.25Å; R60-L64 WeakPolarHBondContact O-CB 3.45Å; R60-L64 PolarHBondContact O-N 2.87Å
61F86.9Confident84.3Confident59 Ų5957.9 Ų57.926%0.25930%0.303SS..Hα-helixtrans-66.2-42.8177.7-178.6-99000113H44 A57 T58 K59 L64 S65H44-F61 HydrophobicContact CB-CB 4.47Å; A57-F61 VanDerWaalsContact O-CB 3.31Å; A57-F61 WeakPolarHBondContact O-CB 3.24Å; A57-F61 PolarHBondContact O-N 3.24Å; T58-F61 PolarHBondContact O-N 2.9Å; K59-F61 VanDerWaalsContact C-N 3.27Å; K59-F61 PolarHBondContact O-N 3.06Å; F61-L64 PolarHBondContact O-N 3.04Å; F61-S65 WeakPolarHBondContact O-CB 3.32Å; F61-S65 PolarHBondContact O-N 3.28Å; F61-S65 PolarHBondContact O-OG 3.25Å
62Q87.7Confident85.1Confident102 Ų10257.3 Ų57.348%0.47729%0.289SS..Hα-helixtrans-61-45.5175.7-74.8173.1-2.500111.5T58 K59 S65 R66T58-Q62 VanDerWaalsContact O-CG 3.31Å; T58-Q62 WeakPolarHBondContact O-CG 3.36Å; T58-Q62 PolarHBondContact O-N 2.97Å; K59-Q62 PolarHBondContact O-N 3.41Å; Q62-S65 PolarHBondContact O-N 3.29Å; Q62-R66 WeakPolarHBondContact O-CG 3.5Å; Q62-R66 PolarHBondContact O-N 2.88Å
63V88.5Confident85.7Confident7 Ų753.1 Ų53.14%0.04227%0.267CS..Hα-helixtrans-62.1-49.3176.9173.70000110.2L5 D8 Y12 F13 K59 R60 S65 R66 V67L5-V63 HydrophobicContact CD1-CG1 4.11Å; D8-V63 HydrophobicContact CB-CG1 4.21Å; D8-V63 HydrophobicContact CB-CG2 3.6Å; Y12-V63 HydrophobicContact CD2-CG2 3.86Å; Y12-V63 HydrophobicContact CE2-CG2 4.26Å; F13-V63 HydrophobicContact CD2-CG1 4.29Å; F13-V63 HydrophobicContact CE2-CB 4.37Å; F13-V63 HydrophobicContact CE2-CG1 3.98Å; K59-V63 VanDerWaalsContact O-CG2 3.25Å; K59-V63 WeakPolarHBondContact O-CG2 3.3Å; K59-V63 PolarHBondContact O-N 3.39Å; R60-V63 PolarHBondContact O-N 3.47Å; V63-S65 VanDerWaalsContact C-N 3.28Å; V63-S65 PolarHBondContact O-N 3.11Å; V63-R66 PolarHBondContact O-N 2.93Å; V63-V67 HydrophobicContact CG1-CG2 4.46Å; V63-V67 WeakPolarHBondContact O-CG2 3.34Å; V63-V67 PolarHBondContact O-N 2.95Å
64L89.2Confident86.1Confident0 Ų054.8 Ų54.80%027%0.271CS..Hα-helixtrans-56.8-41.6177-175.873000112.3F13 V21 L22 F37 L40 R60 F61 V67 Y68F13-L64 HydrophobicContact CZ-CB 4.33Å; F13-L64 HydrophobicContact CZ-CD1 4.42Å; V21-L64 HydrophobicContact CG1-CD1 4.29Å; L22-L64 HydrophobicContact CD2-CD1 3.69Å; F37-L64 HydrophobicContact CD2-CD1 4.5Å; F37-L64 HydrophobicContact CD2-CD2 4.03Å; F37-L64 HydrophobicContact CD2-CG 3.8Å; F37-L64 HydrophobicContact CE2-CD2 4.04Å; F37-L64 HydrophobicContact CE2-CG 3.84Å; L40-L64 HydrophobicContact CB-CD1 3.98Å; L40-L64 HydrophobicContact CB-CD2 3.47Å; L40-L64 VanDerWaalsContact CB-CD2 3.47Å; L40-L64 HydrophobicContact CB-CG 4.36Å; L40-L64 HydrophobicContact CD1-CD1 3.85Å; R60-L64 VanDerWaalsContact O-CB 3.25Å; R60-L64 WeakPolarHBondContact O-CB 3.45Å; R60-L64 PolarHBondContact O-N 2.87Å; F61-L64 PolarHBondContact O-N 3.04Å; L64-V67 PolarHBondContact O-N 2.69Å; L64-Y68 WeakPolarHBondContact O-CB 3.33Å; L64-Y68 PolarHBondContact O-N 3.13Å
65S88.7Confident86.3Confident30 Ų3055.3 Ų55.321%0.2128%0.275CS..Hα-helixtrans-65.6-40.7178.5-59.20000112F61 Q62 V63 Y68 S69F61-S65 WeakPolarHBondContact O-CB 3.32Å; F61-S65 PolarHBondContact O-N 3.28Å; F61-S65 PolarHBondContact O-OG 3.25Å; Q62-S65 PolarHBondContact O-N 3.29Å; V63-S65 VanDerWaalsContact C-N 3.28Å; V63-S65 PolarHBondContact O-N 3.11Å; S65-Y68 PolarHBondContact O-N 2.81Å; S65-S69 WeakPolarHBondContact O-CB 3.36Å; S65-S69 PolarHBondContact O-N 2.79Å; S65-S69 PolarHBondContact O-OG 2.76Å
66R88.9Confident86.4Confident129 Ų12954.4 Ų54.449%0.48726%0.262SS..Hα-helixtrans-64.9-44173.6-70.9179.6-174.4-1751111.8L5 Q62 V63 Y68 S69 Y70L5-R66 HydrophobicContact CD1-CB 3.61Å; L5-R66 HydrophobicContact CD2-CB 4.09Å; Q62-R66 WeakPolarHBondContact O-CG 3.5Å; Q62-R66 PolarHBondContact O-N 2.88Å; V63-R66 PolarHBondContact O-N 2.93Å; R66-Y68 PolarHBondContact O-N 2.97Å; R66-S69 PolarHBondContact O-N 2.64Å; R66-Y70 WeakPolarHBondContact O-CB 3.44Å; R66-Y70 PolarHBondContact O-N 3.08Å
67V88.7Confident86.6Confident0 Ų051.5 Ų51.50%025%0.247CC..Hα-helixtrans-58.7-47.5175.3171.60000110.9L5 C9 L18 V21 L22 V63 L64 Y70 M71L5-V67 HydrophobicContact CD1-CG2 3.96Å; L5-V67 HydrophobicContact CD2-CG2 4.32Å; L5-V67 HydrophobicContact CG-CG2 4.28Å; C9-V67 WeakPolarHBondContact SG-CG2 3.31Å; L18-V67 HydrophobicContact CB-CG1 4.02Å; L18-V67 HydrophobicContact CD2-CB 4.43Å; L18-V67 HydrophobicContact CD2-CG1 3.93Å; L18-V67 HydrophobicContact CD2-CG2 3.79Å; L18-V67 HydrophobicContact CG-CG1 4.42Å; V21-V67 HydrophobicContact CB-CG1 4.48Å; V21-V67 HydrophobicContact CG1-CG1 4.4Å; V21-V67 HydrophobicContact CG1-CG2 4.32Å; L22-V67 HydrophobicContact CD1-CG1 4.03Å; L22-V67 HydrophobicContact CD2-CG1 4.36Å; L22-V67 HydrophobicContact CG-CG1 3.91Å; V63-V67 HydrophobicContact CG1-CG2 4.46Å; V63-V67 WeakPolarHBondContact O-CG2 3.34Å; V63-V67 PolarHBondContact O-N 2.95Å; L64-V67 PolarHBondContact O-N 2.69Å; V67-Y70 PolarHBondContact O-N 2.98Å; V67-M71 HydrophobicContact CG1-CG 4.28Å; V67-M71 WeakPolarHBondContact O-CB 3.27Å; V67-M71 WeakPolarHBondContact O-CG 3.35Å; V67-M71 PolarHBondContact O-N 2.97Å
68Y90.2Very high86.7Confident21 Ų2156.1 Ų56.18%0.08227%0.266CS..Hα-helixtrans-61.9-47177.9175.8-104.1000112L33 R34 F37 L64 S65 R66 Y70 M71 E72L33-Y68 HydrophobicContact CB-CE2 4.49Å; R34-Y68 HydrophobicContact CB-CE2 4.24Å; R34-Y68 WeakPolarHBondContact CG-OH 3.41Å; F37-Y68 HydrophobicContact CB-CD2 3.37Å; F37-Y68 HydrophobicContact CB-CE2 3.84Å; F37-Y68 HydrophobicContact CB-CG 3.8Å; F37-Y68 AromaticContact CD1-CD1 3.76Å; F37-Y68 HydrophobicContact CD1-CD1 3.76Å; F37-Y68 HydrophobicContact CD1-CD2 4.04Å; F37-Y68 HydrophobicContact CD1-CE1 4.05Å; F37-Y68 HydrophobicContact CD1-CE2 4.28Å; F37-Y68 AromaticContact CD1-CG 3.75Å; F37-Y68 HydrophobicContact CD1-CG 3.75Å; F37-Y68 HydrophobicContact CD2-CD1 4.3Å; F37-Y68 HydrophobicContact CD2-CD2 4.14Å; F37-Y68 AromaticContact CD2-CG 3.67Å; F37-Y68 HydrophobicContact CD2-CG 3.67Å; F37-Y68 AromaticContact CE1-CD1 3.92Å; F37-Y68 HydrophobicContact CE1-CD1 3.92Å; F37-Y68 HydrophobicContact CE1-CE1 4.35Å; F37-Y68 HydrophobicContact CE1-CG 4.23Å; F37-Y68 HydrophobicContact CE2-CD1 4.45Å; F37-Y68 HydrophobicContact CE2-CG 4.17Å; F37-Y68 AromaticContact CG-CD1 3.96Å; F37-Y68 HydrophobicContact CG-CD1 3.96Å; F37-Y68 AromaticContact CG-CD2 3.58Å; F37-Y68 HydrophobicContact CG-CD2 3.58Å; F37-Y68 HydrophobicContact CG-CE2 4.18Å; F37-Y68 AromaticContact CG-CG 3.44Å; F37-Y68 HydrophobicContact CG-CG 3.44Å; F37-Y68 VanDerWaalsContact CG-CG 3.44Å; F37-Y68 HydrophobicContact CZ-CD1 4.27Å; F37-Y68 HydrophobicContact CZ-CG 4.42Å; L64-Y68 WeakPolarHBondContact O-CB 3.33Å; L64-Y68 PolarHBondContact O-N 3.13Å; S65-Y68 PolarHBondContact O-N 2.81Å; R66-Y68 PolarHBondContact O-N 2.97Å; Y68-Y70 VanDerWaalsContact C-N 3.26Å; Y68-Y70 PolarHBondContact O-N 2.9Å; Y68-M71 PolarHBondContact O-N 3.31Å; Y68-M71 VanDerWaalsContact O-N 3.08Å; Y68-E72 HydrophobicContact CE1-CB 4.37Å; Y68-E72 WeakPolarHBondContact CE1-OE2 2.98Å; Y68-E72 HydrophobicContact CE2-CB 4.48Å; Y68-E72 VanDerWaalsContact CZ-CD 3.5Å; Y68-E72 VanDerWaalsContact O-CB 3.28Å; Y68-E72 WeakPolarHBondContact O-CB 3.21Å; Y68-E72 PolarHBondContact O-N 3.45Å; Y68-E72 PolarHBondContact OH-OE1 3.23Å
69S87.6Confident86.6Confident71 Ų7154.2 Ų54.250%0.49725%0.254SS..Hα-helixtrans-58.6-39.6179.3-55.10000111.7S65 R66S65-S69 WeakPolarHBondContact O-CB 3.36Å; S65-S69 PolarHBondContact O-N 2.79Å; S65-S69 PolarHBondContact O-OG 2.76Å; R66-S69 PolarHBondContact O-N 2.64Å
70Y86.5Confident86.5Confident12 Ų1250.9 Ų50.95%0.04724%0.239CC..Hα-helixtrans-69.9-36.5176.8-165.6-83.2000112.7L18 R66 V67 Y68 K76 Y80 V85 I86L18-Y70 HydrophobicContact CD1-CD1 3.98Å; R66-Y70 WeakPolarHBondContact O-CB 3.44Å; R66-Y70 PolarHBondContact O-N 3.08Å; V67-Y70 PolarHBondContact O-N 2.98Å; Y68-Y70 VanDerWaalsContact C-N 3.26Å; Y68-Y70 PolarHBondContact O-N 2.9Å; Y70-K76 HydrophobicContact CD1-CB 3.96Å; Y70-K76 HydrophobicContact CD2-CB 3.99Å; Y70-K76 HydrophobicContact CD2-CD 3.66Å; Y70-K76 HydrophobicContact CD2-CG 4.27Å; Y70-K76 HydrophobicContact CE1-CB 3.73Å; Y70-K76 WeakPolarHBondContact CE1-O 3.1Å; Y70-K76 HydrophobicContact CE2-CB 3.79Å; Y70-K76 HydrophobicContact CE2-CD 3.82Å; Y70-K76 HydrophobicContact CE2-CG 4.03Å; Y70-K76 HydrophobicContact CG-CB 4.07Å; Y70-K76 HydrophobicContact CG-CD 4.28Å; Y70-K76 VanDerWaalsContact O-CB 3.3Å; Y70-K76 WeakPolarHBondContact O-CB 3.5Å; Y70-K76 PolarHBondContact OH-O 2.76Å; Y70-Y80 HydrophobicContact CE1-CG 4.45Å; Y70-V85 PolarHBondContact OH-O 2.83Å; Y70-I86 HydrophobicContact CD2-CG2 3.59Å; Y70-I86 HydrophobicContact CE1-CG1 4.34Å; Y70-I86 HydrophobicContact CE1-CG2 4.46Å; Y70-I86 HydrophobicContact CE2-CB 4.18Å; Y70-I86 HydrophobicContact CE2-CG2 3.4Å; Y70-I86 VanDerWaalsContact CE2-CG2 3.4Å; Y70-I86 HydrophobicContact CG-CG2 4.2Å
71M86.5Confident86.6Confident0 Ų049.6 Ų49.60%024%0.238CC..Hα-helixtrans-84.6-19.7-177.8-66.3-71-7300113.8L18 Y19 L22 L33 V67 Y68 R77 Y80L18-M71 HydrophobicContact CB-CE 4.26Å; L18-M71 HydrophobicContact CB-CG 4.09Å; L18-M71 HydrophobicContact CB-SD 3.75Å; L18-M71 HydrophobicContact CD1-CG 4.02Å; L18-M71 HydrophobicContact CD1-SD 3.67Å; L18-M71 HydrophobicContact CG-SD 4.39Å; Y19-M71 HydrophobicContact CD1-CE 3.43Å; Y19-M71 VanDerWaalsContact CD1-CE 3.43Å; Y19-M71 HydrophobicContact CD2-CE 4.03Å; Y19-M71 HydrophobicContact CE1-CE 3.14Å; Y19-M71 HydrophobicContact CE2-CE 3.78Å; Y19-M71 HydrophobicContact CG-CE 3.87Å; L22-M71 HydrophobicContact CD1-CB 4.23Å; L22-M71 HydrophobicContact CD1-CG 4.21Å; L33-M71 HydrophobicContact CD1-CB 4.25Å; L33-M71 WeakPolarHBondContact CD1-O 3.5Å; L33-M71 HydrophobicContact CD2-CE 4.48Å; V67-M71 HydrophobicContact CG1-CG 4.28Å; V67-M71 WeakPolarHBondContact O-CB 3.27Å; V67-M71 WeakPolarHBondContact O-CG 3.35Å; V67-M71 PolarHBondContact O-N 2.97Å; Y68-M71 PolarHBondContact O-N 3.31Å; Y68-M71 VanDerWaalsContact O-N 3.08Å; M71-R77 HydrophobicContact SD-CG 4.43Å; M71-Y80 HydrophobicContact SD-CD1 4.25Å
72E86.5Confident86.4Confident85 Ų8551.8 Ų51.840%0.39725%0.249SC..Hα-helixtrans-76.1-32.7176-178.3170.1-137.500112K30 Y68K30-E72 PolarHBondContact NZ-O 2.94Å; Y68-E72 HydrophobicContact CE1-CB 4.37Å; Y68-E72 WeakPolarHBondContact CE1-OE2 2.98Å; Y68-E72 HydrophobicContact CE2-CB 4.48Å; Y68-E72 VanDerWaalsContact CZ-CD 3.5Å; Y68-E72 VanDerWaalsContact O-CB 3.28Å; Y68-E72 WeakPolarHBondContact O-CB 3.21Å; Y68-E72 PolarHBondContact O-N 3.45Å; Y68-E72 PolarHBondContact OH-OE1 3.23Å
73D85.8Confident86Confident59 Ų5949.7 Ų49.732%0.31624%0.244SC..SBendtrans-75121.2173.6-174.6-23.3000110.6E75 K76 R77D73-E75 VanDerWaalsContact C-N 3.33Å; D73-E75 PolarHBondContact O-N 3.38Å; D73-E75 PolarHBondContact OD1-N 3.4Å; D73-K76 HydrophobicContact CB-CB 4.02Å; D73-K76 HydrophobicContact CB-CD 4.1Å; D73-K76 HydrophobicContact CB-CG 4.06Å; D73-K76 VanDerWaalsContact OD2-CE 3.26Å; D73-K76 WeakPolarHBondContact OD2-CE 3.39Å; D73-R77 WeakPolarHBondContact O-CB 3.31Å; D73-R77 PolarHBondContact O-N 2.9Å
74D84.9Confident85.7Confident94 Ų9451.2 Ų51.250%0.50326%0.26SS..Hα-helixtrans-65.7-36-176.9-73.5-38.5000112.6K30 K78K30-D74 WeakPolarHBondContact CE-OD1 3.36Å; K30-D74 VanDerWaalsContact CE-OD2 3.23Å; K30-D74 WeakPolarHBondContact CE-OD2 3.48Å; K30-D74 IonicContact NZ-OD1 3.08Å; K30-D74 PolarHBondContact NZ-OD1 3.47Å; K30-D74 IonicContact NZ-OD2 2.66Å; K30-D74 PolarHBondContact NZ-OD2 3.35Å; D74-K78 WeakPolarHBondContact O-CB 3.43Å; D74-K78 PolarHBondContact O-N 2.9Å
75E82.5Confident85.2Confident111 Ų11154.7 Ų54.752%0.51928%0.281SS..Hα-helixtrans-69.4-47.9-178.3-61.7-168154.900109.4D73 K78 V79D73-E75 VanDerWaalsContact C-N 3.33Å; D73-E75 PolarHBondContact O-N 3.38Å; D73-E75 PolarHBondContact OD1-N 3.4Å; E75-K78 PolarHBondContact O-N 3.43Å; E75-V79 WeakPolarHBondContact O-CG2 3.16Å; E75-V79 PolarHBondContact O-N 3.15Å
76K83.4Confident84.8Confident54 Ų5453.5 Ų53.524%0.23527%0.273CS..Hα-helixtrans-64.4-44.8177.6-64.9-171.5-166.6-136.20112.3Y70 D73 K78 V79 Y80 D90Y70-K76 HydrophobicContact CD1-CB 3.96Å; Y70-K76 HydrophobicContact CD2-CB 3.99Å; Y70-K76 HydrophobicContact CD2-CD 3.66Å; Y70-K76 HydrophobicContact CD2-CG 4.27Å; Y70-K76 HydrophobicContact CE1-CB 3.73Å; Y70-K76 WeakPolarHBondContact CE1-O 3.1Å; Y70-K76 HydrophobicContact CE2-CB 3.79Å; Y70-K76 HydrophobicContact CE2-CD 3.82Å; Y70-K76 HydrophobicContact CE2-CG 4.03Å; Y70-K76 HydrophobicContact CG-CB 4.07Å; Y70-K76 HydrophobicContact CG-CD 4.28Å; Y70-K76 VanDerWaalsContact O-CB 3.3Å; Y70-K76 WeakPolarHBondContact O-CB 3.5Å; Y70-K76 PolarHBondContact OH-O 2.76Å; D73-K76 HydrophobicContact CB-CB 4.02Å; D73-K76 HydrophobicContact CB-CD 4.1Å; D73-K76 HydrophobicContact CB-CG 4.06Å; D73-K76 VanDerWaalsContact OD2-CE 3.26Å; D73-K76 WeakPolarHBondContact OD2-CE 3.39Å; K76-K78 VanDerWaalsContact C-N 3.32Å; K76-K78 PolarHBondContact O-N 3.5Å; K76-V79 PolarHBondContact O-N 2.87Å; K76-Y80 PolarHBondContact O-N 3.23Å; K76-D90 WeakPolarHBondContact CE-OD2 3.08Å; K76-D90 IonicContact NZ-OD2 3.26Å; K76-D90 PolarHBondContact NZ-OD2 3.45Å
77R86.5Confident84Confident29 Ų2949 Ų4911%0.10926%0.259CS..Hα-helixtrans-59.5-44.2176-177.4177.9176.4-178.4-2.3111.3Y19 K26 C28 M71 D73 Y80 D81Y19-R77 PolarHBondContact OH-NE 3.18Å; Y19-R77 PolarHBondContact OH-NH2 3.32Å; K26-R77 PolarHBondContact O-NH2 3.35Å; C28-R77 PolarHBondContact O-NH1 3.02Å; C28-R77 PolarHBondContact O-NH2 3.38Å; M71-R77 HydrophobicContact SD-CG 4.43Å; D73-R77 WeakPolarHBondContact O-CB 3.31Å; D73-R77 PolarHBondContact O-N 2.9Å; R77-Y80 PolarHBondContact O-N 3.4Å; R77-D81 WeakPolarHBondContact O-CB 3.47Å; R77-D81 PolarHBondContact O-N 2.77Å
78K84.8Confident83Confident103 Ų10352.6 Ų52.645%0.44828%0.275SS..Hα-helixtrans-62.2-46.2177.3-178.1-172.8172.8-159.60111.6D74 E75 K76 Y80 D81 E82D74-K78 WeakPolarHBondContact O-CB 3.43Å; D74-K78 PolarHBondContact O-N 2.9Å; E75-K78 PolarHBondContact O-N 3.43Å; K76-K78 VanDerWaalsContact C-N 3.32Å; K76-K78 PolarHBondContact O-N 3.5Å; K78-Y80 VanDerWaalsContact C-N 3.31Å; K78-Y80 PolarHBondContact O-N 3.35Å; K78-D81 PolarHBondContact O-N 3.07Å; K78-D81 VanDerWaalsContact O-N 3.17Å; K78-E82 WeakPolarHBondContact CE-OE1 3.39Å; K78-E82 WeakPolarHBondContact O-CG 3.45Å; K78-E82 PolarHBondContact O-N 3.48Å
79V82.2Confident81.7Confident5 Ų556.4 Ų56.43%0.0330%0.297CS..Hα-helixtrans-56.4-46.8175.8163.40000111.1E75 K76 E82 T83 F97 D98E75-V79 WeakPolarHBondContact O-CG2 3.16Å; E75-V79 PolarHBondContact O-N 3.15Å; K76-V79 PolarHBondContact O-N 2.87Å; V79-E82 PolarHBondContact O-N 3.21Å; V79-T83 WeakPolarHBondContact O-CB 3.43Å; V79-T83 PolarHBondContact O-N 3.16Å; V79-T83 PolarHBondContact O-OG1 3.45Å; V79-F97 HydrophobicContact CB-CD1 4.2Å; V79-F97 HydrophobicContact CG1-CB 4.48Å; V79-F97 HydrophobicContact CG1-CD1 3.22Å; V79-F97 HydrophobicContact CG1-CE1 3.58Å; V79-F97 HydrophobicContact CG1-CG 4.07Å; V79-F97 HydrophobicContact CG2-CD1 3.91Å; V79-D98 HydrophobicContact CG2-CB 3.9Å
80Y85Confident80.4Confident23 Ų2354.2 Ų54.29%0.0928%0.28CS..Hα-helixtrans-66.5-37.4177.5171-94.5000112.5N17 L18 Y19 Y70 M71 K76 R77 K78 E82 G84 I86N17-Y80 WeakPolarHBondContact CA-OH 3.49Å; N17-Y80 PolarHBondContact OD1-OH 2.93Å; L18-Y80 HydrophobicContact CB-CE1 4.07Å; L18-Y80 HydrophobicContact CD1-CD1 4.26Å; L18-Y80 HydrophobicContact CD1-CD2 3.94Å; L18-Y80 HydrophobicContact CD1-CE1 4.22Å; L18-Y80 HydrophobicContact CD1-CE2 3.91Å; L18-Y80 HydrophobicContact CD1-CG 4.12Å; L18-Y80 HydrophobicContact CG-CD2 4.33Å; L18-Y80 HydrophobicContact CG-CE1 4.14Å; L18-Y80 HydrophobicContact CG-CE2 3.77Å; L18-Y80 PolarHBondContact N-OH 3.19Å; Y19-Y80 HydrophobicContact CD2-CE1 4.06Å; Y19-Y80 HydrophobicContact CE2-CD1 4.27Å; Y19-Y80 AromaticContact CE2-CE1 3.85Å; Y19-Y80 HydrophobicContact CE2-CE1 3.85Å; Y70-Y80 HydrophobicContact CE1-CG 4.45Å; M71-Y80 HydrophobicContact SD-CD1 4.25Å; K76-Y80 PolarHBondContact O-N 3.23Å; R77-Y80 PolarHBondContact O-N 3.4Å; K78-Y80 VanDerWaalsContact C-N 3.31Å; K78-Y80 PolarHBondContact O-N 3.35Å; Y80-E82 VanDerWaalsContact C-N 3.3Å; Y80-E82 PolarHBondContact O-N 3.16Å; Y80-G84 WeakPolarHBondContact O-CA 3.47Å; Y80-G84 PolarHBondContact O-N 3.36Å; Y80-I86 HydrophobicContact CD2-CG1 4Å; Y80-I86 HydrophobicContact CE2-CG1 4.48Å
81D87.2Confident79.1Confident48 Ų4862.6 Ų62.626%0.25732%0.319SS..Hα-helixtrans-66.1-32.1177.5-82.3-21.9000113.6Y19 K26 R77 K78Y19-D81 WeakPolarHBondContact CE2-OD1 3.5Å; Y19-D81 PolarHBondContact OH-OD1 2.91Å; Y19-D81 PolarHBondContact OH-OD2 2.79Å; K26-D81 VanDerWaalsContact CE-OD1 3.28Å; K26-D81 WeakPolarHBondContact CE-OD1 3.35Å; K26-D81 PolarHBondContact NZ-O 3.2Å; R77-D81 WeakPolarHBondContact O-CB 3.47Å; R77-D81 PolarHBondContact O-N 2.77Å; K78-D81 PolarHBondContact O-N 3.07Å; K78-D81 VanDerWaalsContact O-N 3.17Å
82E82.4Confident77.8Confident104 Ų10469.3 Ų69.349%0.48635%0.354SS..Hα-helixtrans-84.7-40.7178.5-70.7-175.8-177.800112.6K78 V79 Y80K78-E82 WeakPolarHBondContact CE-OE1 3.39Å; K78-E82 WeakPolarHBondContact O-CG 3.45Å; K78-E82 PolarHBondContact O-N 3.48Å; V79-E82 PolarHBondContact O-N 3.21Å; Y80-E82 VanDerWaalsContact C-N 3.3Å; Y80-E82 PolarHBondContact O-N 3.16Å
83T79.8Confident76.6Confident59 Ų5969.2 Ų69.236%0.36236%0.359SS..Hα-helixtrans-113-22.3-169.169.30000114.6V79 V85 F97V79-T83 WeakPolarHBondContact O-CB 3.43Å; V79-T83 PolarHBondContact O-N 3.16Å; V79-T83 PolarHBondContact O-OG1 3.45Å; T83-V85 PolarHBondContact O-N 3.44Å; T83-V85 PolarHBondContact OG1-N 3.14Å; T83-F97 HydrophobicContact CG2-CE1 3.65Å; T83-F97 HydrophobicContact CG2-CZ 3.84Å
84G82.1Confident75.6Confident38 Ų3869.7 Ų69.739%0.39238%0.378SS..  trans69.710.1-171.100000114.2Y80Y80-G84 WeakPolarHBondContact O-CA 3.47Å; Y80-G84 PolarHBondContact O-N 3.36Å
85V80Confident74.6Confident73 Ų7370.5 Ų70.544%0.44238%0.377SS..  trans-104.7146.3-179.5-176.80000109.7Y70 T83Y70-V85 PolarHBondContact OH-O 2.83Å; T83-V85 PolarHBondContact O-N 3.44Å; T83-V85 PolarHBondContact OG1-N 3.14Å
86I78.6Confident74Confident6 Ų666.4 Ų66.43%0.03136%0.36CS..  trans-110.3122.7173.9-58.3-177.7000106.9S3 L5 L6 L18 Y70 Y80 E88S3-I86 WeakPolarHBondContact CB-O 3.41Å; L5-I86 HydrophobicContact CB-CD1 4.42Å; L5-I86 HydrophobicContact CD2-CD1 3.86Å; L5-I86 HydrophobicContact CD2-CG2 4.11Å; L5-I86 HydrophobicContact CG-CD1 4.19Å; L6-I86 HydrophobicContact CD1-CD1 4.49Å; L6-I86 HydrophobicContact CD1-CG1 4.43Å; L6-I86 HydrophobicContact CD2-CD1 3.49Å; L6-I86 VanDerWaalsContact CD2-CD1 3.49Å; L6-I86 HydrophobicContact CD2-CG1 4.16Å; L6-I86 HydrophobicContact CG-CD1 3.67Å; L6-I86 HydrophobicContact CG-CG1 4.12Å; L18-I86 HydrophobicContact CD1-CD1 3.65Å; L18-I86 HydrophobicContact CD1-CG1 4.23Å; L18-I86 HydrophobicContact CD2-CD1 3.8Å; L18-I86 HydrophobicContact CG-CD1 4.06Å; Y70-I86 HydrophobicContact CD2-CG2 3.59Å; Y70-I86 HydrophobicContact CE1-CG1 4.34Å; Y70-I86 HydrophobicContact CE1-CG2 4.46Å; Y70-I86 HydrophobicContact CE2-CB 4.18Å; Y70-I86 HydrophobicContact CE2-CG2 3.4Å; Y70-I86 VanDerWaalsContact CE2-CG2 3.4Å; Y70-I86 HydrophobicContact CG-CG2 4.2Å; Y80-I86 HydrophobicContact CD2-CG1 4Å; Y80-I86 HydrophobicContact CE2-CG1 4.48Å; I86-E88 HydrophobicContact CG2-CG 4.12Å
87D72Confident73.3Confident35 Ų3566.5 Ų66.519%0.18736%0.361CS..  trans-87.8116.8167.5-161.2-9.1000109D89 F97D87-D89 PolarHBondContact OD1-N 2.92Å; D87-F97 HydrophobicContact CB-CB 3.98Å; D87-F97 WeakPolarHBondContact OD2-CB 3.49Å; D87-F97 PolarHBondContact OD2-N 3.08Å
88E67.6Low72.6Confident75 Ų7565.7 Ų65.735%0.3536%0.358SS..  trans-98.6-14.5174.7-75.6170.6-130.100111.6S3 S4 L5 I86S3-E88 VanDerWaalsContact C-OE1 3.31Å; S3-E88 WeakPolarHBondContact CB-OE1 3.48Å; S3-E88 PolarHBondContact OG-OE1 3.03Å; S4-E88 VanDerWaalsContact CB-OE2 3.26Å; S4-E88 WeakPolarHBondContact CB-OE2 3.36Å; S4-E88 PolarHBondContact N-OE1 3.36Å; L5-E88 HydrophobicContact CB-CG 4.48Å; L5-E88 WeakPolarHBondContact CB-OE1 3.45Å; L5-E88 PolarHBondContact N-OE1 3.21Å; I86-E88 HydrophobicContact CG2-CG 4.12Å
89D64.5Low72.3Confident101 Ų10164.1 Ų64.154%0.5436%0.355SS..  trans-99.913.3-168-64-36.7000112.5D87 E91 I92D87-D89 PolarHBondContact OD1-N 2.92Å; D89-E91 PolarHBondContact O-N 2.94Å; D89-I92 HydrophobicContact CB-CD1 4.38Å; D89-I92 PolarHBondContact O-N 3Å
90D60.1Low72.1Confident25 Ų2569.3 Ų69.313%0.13437%0.374CS..Hα-helixtrans-48.6-34178-68.9-47.3000111.7K76 I92 G94 S96K76-D90 WeakPolarHBondContact CE-OD2 3.08Å; K76-D90 IonicContact NZ-OD2 3.26Å; K76-D90 PolarHBondContact NZ-OD2 3.45Å; D90-I92 PolarHBondContact O-N 3.08Å; D90-G94 PolarHBondContact O-N 2.94Å; D90-G94 VanDerWaalsContact O-N 3.15Å; D90-S96 WeakPolarHBondContact OD1-CA 3.4Å; D90-S96 WeakPolarHBondContact OD1-CB 3.49Å; D90-S96 PolarHBondContact OD1-OG 3.43Å
91E59.8Low71.8Confident188 Ų18869.6 Ų69.688%0.87938%0.378SS*.Hα-helixtrans-72.7-23.4-175.7-164.5149-158.600113.7D89D89-E91 PolarHBondContact O-N 2.94Å
92I58.6Low71.4Confident140 Ų14071.9 Ų71.972%0.71839%0.386SS*.Hα-helixtrans-80.3-40.8-177.1-64.6173.7000111.4D89 D90D89-I92 HydrophobicContact CB-CD1 4.38Å; D89-I92 PolarHBondContact O-N 3Å; D90-I92 PolarHBondContact O-N 3.08Å
93T60.7Low71.5Confident84 Ų8472.6 Ų72.652%0.51539%0.385SS..Hα-helixtrans-100.2-15.9-173640000113.2K95T93-K95 PolarHBondContact O-N 2.75Å; T93-K95 PolarHBondContact OG1-N 3.43Å; T93-K95 PolarHBondContact OG1-O 3.19Å
94G64.9Low71.7Confident68 Ų6876.8 Ų76.870%0.70139%0.394SS*.SBendtrans61.97.8-171.800000113.5D90D90-G94 PolarHBondContact O-N 2.94Å; D90-G94 VanDerWaalsContact O-N 3.15Å
95K65.1Low71.7Confident111 Ų11178.4 Ų78.448%0.48339%0.392SS..  trans-121.4120.5176.9-68.9-177.2-179.9175.80107.4T93 D99 W100T93-K95 PolarHBondContact O-N 2.75Å; T93-K95 PolarHBondContact OG1-N 3.43Å; T93-K95 PolarHBondContact OG1-O 3.19Å; K95-D99 WeakPolarHBondContact CA-OD2 3.43Å; K95-D99 HydrophobicContact CB-CB 4.41Å; K95-W100 HydrophobicContact CD-CZ2 4.2Å
96S68.3Low71.8Confident25 Ų2582 Ų8218%0.17541%0.408CS..  trans-74.8158.3-179.9-171.70000110.6D90 D98 D99 W100D90-S96 WeakPolarHBondContact OD1-CA 3.4Å; D90-S96 WeakPolarHBondContact OD1-CB 3.49Å; D90-S96 PolarHBondContact OD1-OG 3.43Å; S96-D98 PolarHBondContact O-N 3.39Å; S96-D98 VanDerWaalsContact O-N 3.09Å; S96-D99 PolarHBondContact N-OD2 2.92Å; S96-D99 WeakPolarHBondContact O-CB 3.47Å; S96-D99 PolarHBondContact O-N 3.26Å; S96-W100 PolarHBondContact O-N 2.93Å
97F69Low72.3Confident57 Ų5786.1 Ų86.125%0.2543%0.429CS..Hα-helixtrans-42.7-39165179.8-93.1000113.3V79 T83 D87 D99 W100 V101V79-F97 HydrophobicContact CB-CD1 4.2Å; V79-F97 HydrophobicContact CG1-CB 4.48Å; V79-F97 HydrophobicContact CG1-CD1 3.22Å; V79-F97 HydrophobicContact CG1-CE1 3.58Å; V79-F97 HydrophobicContact CG1-CG 4.07Å; V79-F97 HydrophobicContact CG2-CD1 3.91Å; T83-F97 HydrophobicContact CG2-CE1 3.65Å; T83-F97 HydrophobicContact CG2-CZ 3.84Å; D87-F97 HydrophobicContact CB-CB 3.98Å; D87-F97 WeakPolarHBondContact OD2-CB 3.49Å; D87-F97 PolarHBondContact OD2-N 3.08Å; F97-D99 VanDerWaalsContact C-N 3.29Å; F97-D99 PolarHBondContact O-N 3.26Å; F97-W100 PolarHBondContact O-N 3.27Å; F97-V101 HydrophobicContact CD1-CG2 3.69Å; F97-V101 HydrophobicContact CE1-CG2 3.26Å; F97-V101 HydrophobicContact CE2-CG2 4.33Å; F97-V101 HydrophobicContact CG-CG2 4.42Å; F97-V101 HydrophobicContact CZ-CG2 3.62Å; F97-V101 WeakPolarHBondContact O-CG2 3.49Å; F97-V101 PolarHBondContact O-N 3.45Å
98D72.5Confident72.9Confident11 Ų1190.5 Ų90.56%0.05945%0.447CS..Hα-helixtrans-62.5-33.6178.2-170.460.8000112.8V79 S96 V101 K102V79-D98 HydrophobicContact CG2-CB 3.9Å; S96-D98 PolarHBondContact O-N 3.39Å; S96-D98 VanDerWaalsContact O-N 3.09Å; D98-V101 PolarHBondContact O-N 3.11Å; D98-K102 WeakPolarHBondContact O-CB 3.44Å; D98-K102 WeakPolarHBondContact O-CD 3.42Å; D98-K102 VanDerWaalsContact O-CG 3.26Å; D98-K102 WeakPolarHBondContact O-CG 3.46Å; D98-K102 PolarHBondContact O-N 2.96Å; D98-K102 WeakPolarHBondContact OD2-CE 3.44Å; D98-K102 IonicContact OD2-NZ 2.87Å; D98-K102 PolarHBondContact OD2-NZ 2.92Å
99D79Confident73.5Confident70 Ų7091.8 Ų91.837%0.37446%0.461SS..Hα-helixtrans-66.1-41.1176.4-65.3-39.2000111.5K95 S96 F97 Y103K95-D99 WeakPolarHBondContact CA-OD2 3.43Å; K95-D99 HydrophobicContact CB-CB 4.41Å; S96-D99 PolarHBondContact N-OD2 2.92Å; S96-D99 WeakPolarHBondContact O-CB 3.47Å; S96-D99 PolarHBondContact O-N 3.26Å; F97-D99 VanDerWaalsContact C-N 3.29Å; F97-D99 PolarHBondContact O-N 3.26Å; D99-Y103 WeakPolarHBondContact O-CB 3.5Å; D99-Y103 PolarHBondContact O-N 3.43Å
100W78Confident74.3Confident115 Ų11593 Ų9344%0.43646%0.462SS..Hα-helixtrans-66.6-48.4173.7-66.6109.4000110.4K95 S96 F97 K102 Y103 W104K95-W100 HydrophobicContact CD-CZ2 4.2Å; S96-W100 PolarHBondContact O-N 2.93Å; F97-W100 PolarHBondContact O-N 3.27Å; W100-K102 VanDerWaalsContact C-N 3.26Å; W100-K102 PolarHBondContact O-N 3.15Å; W100-Y103 HydrophobicContact CE3-CD1 4.33Å; W100-Y103 WeakPolarHBondContact O-CB 3.36Å; W100-Y103 PolarHBondContact O-N 3.38Å; W100-W104 WeakPolarHBondContact O-CB 3.38Å; W100-W104 PolarHBondContact O-N 3.29Å
101V77.9Confident75.6Confident29 Ų2997.2 Ų97.218%0.17649%0.489CS..Hα-helixtrans-55.4-43.4177.3170.30000111.5F97 D98 W104 Q105F97-V101 HydrophobicContact CD1-CG2 3.69Å; F97-V101 HydrophobicContact CE1-CG2 3.26Å; F97-V101 HydrophobicContact CE2-CG2 4.33Å; F97-V101 HydrophobicContact CG-CG2 4.42Å; F97-V101 HydrophobicContact CZ-CG2 3.62Å; F97-V101 WeakPolarHBondContact O-CG2 3.49Å; F97-V101 PolarHBondContact O-N 3.45Å; D98-V101 PolarHBondContact O-N 3.11Å; V101-W104 PolarHBondContact O-N 2.99Å; V101-Q105 HydrophobicContact CG1-CG 4.37Å; V101-Q105 VanDerWaalsContact O-CB 3.3Å; V101-Q105 WeakPolarHBondContact O-CB 3.46Å; V101-Q105 WeakPolarHBondContact O-CG 3.39Å; V101-Q105 PolarHBondContact O-N 3.32Å
102K79.7Confident77Confident95 Ų9591.6 Ų91.641%0.41347%0.467SS..Hα-helixtrans-60-48.6173.4-76.6164.5172.51570112D98 W100 W104 Q105 L106D98-K102 WeakPolarHBondContact O-CB 3.44Å; D98-K102 WeakPolarHBondContact O-CD 3.42Å; D98-K102 VanDerWaalsContact O-CG 3.26Å; D98-K102 WeakPolarHBondContact O-CG 3.46Å; D98-K102 PolarHBondContact O-N 2.96Å; D98-K102 WeakPolarHBondContact OD2-CE 3.44Å; D98-K102 IonicContact OD2-NZ 2.87Å; D98-K102 PolarHBondContact OD2-NZ 2.92Å; W100-K102 VanDerWaalsContact C-N 3.26Å; W100-K102 PolarHBondContact O-N 3.15Å; K102-W104 PolarHBondContact O-N 2.77Å; K102-Q105 PolarHBondContact O-N 2.72Å; K102-L106 WeakPolarHBondContact O-CG 3.5Å; K102-L106 PolarHBondContact O-N 3.17Å
103Y82.8Confident78.5Confident119 Ų11990.1 Ų90.147%0.46747%0.465SS..Hα-helixtrans-58.5-47.1177.1174-103.9000112.3D99 W100 Q105 L106 L107D99-Y103 WeakPolarHBondContact O-CB 3.5Å; D99-Y103 PolarHBondContact O-N 3.43Å; W100-Y103 HydrophobicContact CE3-CD1 4.33Å; W100-Y103 WeakPolarHBondContact O-CB 3.36Å; W100-Y103 PolarHBondContact O-N 3.38Å; Y103-Q105 VanDerWaalsContact C-N 3.29Å; Y103-Q105 PolarHBondContact O-N 3.45Å; Y103-L106 WeakPolarHBondContact O-CB 3.14Å; Y103-L106 PolarHBondContact O-N 3.38Å; Y103-L106 VanDerWaalsContact O-N 3.12Å; Y103-L107 HydrophobicContact CD1-CD1 4.15Å; Y103-L107 HydrophobicContact CE1-CD1 3.46Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.46Å; Y103-L107 HydrophobicContact CE1-CG 4.35Å; Y103-L107 HydrophobicContact CE2-CD1 4.33Å; Y103-L107 PolarHBondContact O-N 3.27Å
104W83.7Confident80Confident148 Ų14893.5 Ų93.556%0.56147%0.472SS*.Hα-helixtrans-66.5-32.6178.3-77.876000111.9W100 V101 K102 L106 L107 F108W100-W104 WeakPolarHBondContact O-CB 3.38Å; W100-W104 PolarHBondContact O-N 3.29Å; V101-W104 PolarHBondContact O-N 2.99Å; K102-W104 PolarHBondContact O-N 2.77Å; W104-L106 VanDerWaalsContact C-N 3.32Å; W104-L107 PolarHBondContact O-N 3.35Å; W104-F108 AromaticContact CE3-CD2 3.79Å; W104-F108 HydrophobicContact CE3-CD2 3.79Å; W104-F108 AromaticContact CE3-CE2 3.7Å; W104-F108 HydrophobicContact CE3-CE2 3.7Å; W104-F108 HydrophobicContact CZ3-CD2 4.32Å; W104-F108 AromaticContact CZ3-CE2 3.82Å; W104-F108 HydrophobicContact CZ3-CE2 3.82Å; W104-F108 WeakPolarHBondContact O-CB 3.49Å; W104-F108 PolarHBondContact O-N 2.94Å
105Q83.1Confident81.3Confident72 Ų7294.4 Ų94.434%0.33646%0.461SS..Hα-helixtrans-71.1-25.3173.3-75.4173.51900113.3V101 K102 Y103 F108 K110V101-Q105 HydrophobicContact CG1-CG 4.37Å; V101-Q105 VanDerWaalsContact O-CB 3.3Å; V101-Q105 WeakPolarHBondContact O-CB 3.46Å; V101-Q105 WeakPolarHBondContact O-CG 3.39Å; V101-Q105 PolarHBondContact O-N 3.32Å; K102-Q105 PolarHBondContact O-N 2.72Å; Y103-Q105 VanDerWaalsContact C-N 3.29Å; Y103-Q105 PolarHBondContact O-N 3.45Å; Q105-F108 WeakPolarHBondContact CA-O 3.35Å; Q105-K110 HydrophobicContact CG-CG 4.37Å
106L81.9Confident82.6Confident149 Ų14993.1 Ų93.178%0.7846%0.458SS*.Hα-helixtrans-72.1-34.5170.5-70169.3000111.7K102 Y103 W104K102-L106 WeakPolarHBondContact O-CG 3.5Å; K102-L106 PolarHBondContact O-N 3.17Å; Y103-L106 WeakPolarHBondContact O-CB 3.14Å; Y103-L106 PolarHBondContact O-N 3.38Å; Y103-L106 VanDerWaalsContact O-N 3.12Å; W104-L106 VanDerWaalsContact C-N 3.32Å
107L88.8Confident83.7Confident92 Ų9296.2 Ų96.248%0.48247%0.473SS..Hα-helixtrans-80.8-42.6177.3-64.7179.3000112.9Y103 W104Y103-L107 HydrophobicContact CD1-CD1 4.15Å; Y103-L107 HydrophobicContact CE1-CD1 3.46Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.46Å; Y103-L107 HydrophobicContact CE1-CG 4.35Å; Y103-L107 HydrophobicContact CE2-CD1 4.33Å; Y103-L107 PolarHBondContact O-N 3.27Å; W104-L107 PolarHBondContact O-N 3.35Å
108F84.5Confident84.9Confident127 Ų12797.1 Ų97.156%0.55748%0.48SS*.SBendtrans-120.8108-175.7-58.7-73000109.3W104 Q105W104-F108 AromaticContact CE3-CD2 3.79Å; W104-F108 HydrophobicContact CE3-CD2 3.79Å; W104-F108 AromaticContact CE3-CE2 3.7Å; W104-F108 HydrophobicContact CE3-CE2 3.7Å; W104-F108 HydrophobicContact CZ3-CD2 4.32Å; W104-F108 AromaticContact CZ3-CE2 3.82Å; W104-F108 HydrophobicContact CZ3-CE2 3.82Å; W104-F108 WeakPolarHBondContact O-CB 3.49Å; W104-F108 PolarHBondContact O-N 2.94Å; Q105-F108 WeakPolarHBondContact CA-O 3.35Å
109P81.5Confident86Confident101 Ų101101.2 Ų101.266%0.65650%0.496SS*.PPolyproline II helixtrans-61146.6-17925.8-33.8000110.8V111P109-V111 PolarHBondContact O-N 3.38Å
110K80.7Confident86.6Confident126 Ų12699.2 Ų99.255%0.54849%0.487SS..PPolyproline II helixtrans-57.5131.9175.4-68.4-171.5179.4-173.90109.9Q105 T112Q105-K110 HydrophobicContact CG-CG 4.37Å; K110-T112 PolarHBondContact O-N 2.91Å; K110-T112 VanDerWaalsContact O-N 3.17Å
111V86.3Confident87.3Confident115 Ų115101 Ų10170%0.69750%0.497SS*.PPolyproline II helixtrans-63.7119.3174.3-179.70000108.5P109 I116P109-V111 PolarHBondContact O-N 3.38Å; V111-I116 HydrophobicContact CG1-CD1 4Å; V111-I116 HydrophobicContact CG1-CG1 4.06Å
112T89.5Confident88Confident70 Ų70107.3 Ų107.343%0.42952%0.523SS..  trans-110.6157.8177620000110.4K110 K114 L115 I116K110-T112 PolarHBondContact O-N 2.91Å; K110-T112 VanDerWaalsContact O-N 3.17Å; T112-K114 PolarHBondContact O-N 2.92Å; T112-L115 WeakPolarHBondContact O-CB 3.47Å; T112-L115 PolarHBondContact O-N 3.4Å; T112-L115 VanDerWaalsContact O-N 3.16Å; T112-L115 WeakPolarHBondContact OG1-CB 3.19Å; T112-L115 PolarHBondContact OG1-N 3.14Å; T112-I116 PolarHBondContact O-N 3.21Å; T112-I116 VanDerWaalsContact O-N 3.16Å
113T90.9Very high88.7Confident109 Ų109102.9 Ų102.967%0.66950%0.503SS*.Hα-helixtrans-59.3-37.7173.752.60000111.8L115 I116 D117T113-L115 PolarHBondContact O-N 2.91Å; T113-I116 WeakPolarHBondContact O-CB 3.17Å; T113-I116 PolarHBondContact O-N 3.09Å; T113-D117 PolarHBondContact O-N 2.91Å
114K92.6Very high89.1Confident155 Ų155101.1 Ų101.167%0.67450%0.498SS*.Hα-helixtrans-59-45.3175-65.2-175180-177.70111.8T112 I116 D117 D118T112-K114 PolarHBondContact O-N 2.92Å; K114-I116 VanDerWaalsContact C-N 3.29Å; K114-I116 PolarHBondContact O-N 2.94Å; K114-D117 PolarHBondContact O-N 3.4Å; K114-D118 WeakPolarHBondContact O-CB 3.49Å; K114-D118 PolarHBondContact O-N 3.45Å
115L92.1Very high89.4Confident87 Ų8797.2 Ų97.246%0.45550%0.503SS..Hα-helixtrans-61.6-39.5177.6-176.866000111.7T112 T113 Y119T112-L115 WeakPolarHBondContact O-CB 3.47Å; T112-L115 PolarHBondContact O-N 3.4Å; T112-L115 VanDerWaalsContact O-N 3.16Å; T112-L115 WeakPolarHBondContact OG1-CB 3.19Å; T112-L115 PolarHBondContact OG1-N 3.14Å; T113-L115 PolarHBondContact O-N 2.91Å; L115-Y119 WeakPolarHBondContact O-CB 3.4Å; L115-Y119 PolarHBondContact O-N 3.03Å
116I91.6Very high89.9Confident84 Ų8495.1 Ų95.143%0.43150%0.497SS..Hα-helixtrans-64.8-45.7176.1-63.3167.9000110.3V111 T112 T113 K114 D118 Y119 C120V111-I116 HydrophobicContact CG1-CD1 4Å; V111-I116 HydrophobicContact CG1-CG1 4.06Å; T112-I116 PolarHBondContact O-N 3.21Å; T112-I116 VanDerWaalsContact O-N 3.16Å; T113-I116 WeakPolarHBondContact O-CB 3.17Å; T113-I116 PolarHBondContact O-N 3.09Å; K114-I116 VanDerWaalsContact C-N 3.29Å; K114-I116 PolarHBondContact O-N 2.94Å; I116-D118 VanDerWaalsContact C-N 3.34Å; I116-D118 PolarHBondContact O-N 3.1Å; I116-Y119 PolarHBondContact O-N 3.35Å; I116-C120 WeakPolarHBondContact O-CB 3.31Å; I116-C120 PolarHBondContact O-N 3.1Å; I116-C120 PolarHBondContact O-SG 3.37Å
117D92.7Very high90.5Very high90 Ų9094.8 Ų94.848%0.48149%0.491SS..Hα-helixtrans-63.6-40.3178.6-70.8-24.6000112T113 K114 C120 K121T113-D117 PolarHBondContact O-N 2.91Å; K114-D117 PolarHBondContact O-N 3.4Å; D117-C120 WeakPolarHBondContact O-CB 3.09Å; D117-C120 PolarHBondContact O-N 3.5Å; D117-K121 WeakPolarHBondContact O-CG 3.45Å; D117-K121 PolarHBondContact O-N 3.28Å
118D93.9Very high90.8Very high76 Ų7694.7 Ų94.741%0.40649%0.488SS..Hα-helixtrans-67.4-40.8176.6-68.8-20.4000111.2K114 I116 C120 K121 K122K114-D118 WeakPolarHBondContact O-CB 3.49Å; K114-D118 PolarHBondContact O-N 3.45Å; I116-D118 VanDerWaalsContact C-N 3.34Å; I116-D118 PolarHBondContact O-N 3.1Å; D118-C120 VanDerWaalsContact C-N 3.33Å; D118-K121 PolarHBondContact O-N 3.31Å; D118-K121 IonicContact OD1-NZ 2.92Å; D118-K122 WeakPolarHBondContact O-CG 3.31Å; D118-K122 PolarHBondContact O-N 3.48Å
119Y94.3Very high91.3Very high97 Ų9788.6 Ų88.638%0.3846%0.462SS..Hα-helixtrans-62.1-41.6171.3-176.2-99000111.4L115 I116 K121 K122 Y123 L153L115-Y119 WeakPolarHBondContact O-CB 3.4Å; L115-Y119 PolarHBondContact O-N 3.03Å; I116-Y119 PolarHBondContact O-N 3.35Å; Y119-K121 VanDerWaalsContact C-N 3.32Å; Y119-K121 PolarHBondContact O-N 3.12Å; Y119-K122 PolarHBondContact O-N 2.91Å; Y119-K122 VanDerWaalsContact O-N 3.15Å; Y119-Y123 HydrophobicContact CE1-CD2 4.42Å; Y119-Y123 HydrophobicContact CE1-CG 4.37Å; Y119-Y123 VanDerWaalsContact O-CB 3.32Å; Y119-Y123 WeakPolarHBondContact O-CB 3.36Å; Y119-Y123 PolarHBondContact O-N 2.87Å; Y119-L153 HydrophobicContact CD1-CD1 4.07Å; Y119-L153 HydrophobicContact CE1-CD1 4.18Å
120C91.9Very high91.9Very high28 Ų2885.2 Ų85.219%0.18944%0.439CS..Hα-helixtrans-59.1-43.6177.5-69.70000112.3I116 D117 D118 K122 K124 L153I116-C120 WeakPolarHBondContact O-CB 3.31Å; I116-C120 PolarHBondContact O-N 3.1Å; I116-C120 PolarHBondContact O-SG 3.37Å; D117-C120 WeakPolarHBondContact O-CB 3.09Å; D117-C120 PolarHBondContact O-N 3.5Å; D118-C120 VanDerWaalsContact C-N 3.33Å; C120-K122 VanDerWaalsContact C-N 3.35Å; C120-K124 WeakPolarHBondContact O-CB 3.21Å; C120-K124 WeakPolarHBondContact O-CG 3.27Å; C120-K124 PolarHBondContact O-N 3.05Å; C120-L153 HydrophobicContact CB-CD1 3.96Å; C120-L153 VanDerWaalsContact SG-CD1 3.51Å; C120-L153 VanDerWaalsContact SG-CD2 3.51Å
121K92.5Very high92.7Very high151 Ų15184.4 Ų84.466%0.65744%0.437SS*.Hα-helixtrans-66.1-38176.7-67.5167.1-1671610112.1D117 D118 Y119D117-K121 WeakPolarHBondContact O-CG 3.45Å; D117-K121 PolarHBondContact O-N 3.28Å; D118-K121 PolarHBondContact O-N 3.31Å; D118-K121 IonicContact OD1-NZ 2.92Å; Y119-K121 VanDerWaalsContact C-N 3.32Å; Y119-K121 PolarHBondContact O-N 3.12Å
122K93.8Very high93.1Very high162 Ų16280.7 Ų80.770%0.70441%0.414SS*.Hα-helixtrans-70.1-39.7178-74.9177.6-179.1-177.60112.1D118 Y119 C120 S126D118-K122 WeakPolarHBondContact O-CG 3.31Å; D118-K122 PolarHBondContact O-N 3.48Å; Y119-K122 PolarHBondContact O-N 2.91Å; Y119-K122 VanDerWaalsContact O-N 3.15Å; C120-K122 VanDerWaalsContact C-N 3.35Å; K122-S126 VanDerWaalsContact O-CB 3.28Å; K122-S126 WeakPolarHBondContact O-CB 3.25Å
123Y94.7Very high93.4Very high2 Ų277.4 Ų77.41%0.00839%0.393CS..Hα-helixtrans-75.9-47.2-176.7179.1-93.7000112.1Y119 G125 S126 Q128 E129 D132 L152 L153Y119-Y123 HydrophobicContact CE1-CD2 4.42Å; Y119-Y123 HydrophobicContact CE1-CG 4.37Å; Y119-Y123 VanDerWaalsContact O-CB 3.32Å; Y119-Y123 WeakPolarHBondContact O-CB 3.36Å; Y119-Y123 PolarHBondContact O-N 2.87Å; Y123-G125 PolarHBondContact O-N 2.79Å; Y123-S126 VanDerWaalsContact O-CB 3.26Å; Y123-S126 WeakPolarHBondContact O-CB 3.31Å; Y123-S126 PolarHBondContact O-N 3.45Å; Y123-S126 PolarHBondContact O-OG 3.49Å; Y123-Q128 HydrophobicContact CE2-CG 4.35Å; Y123-E129 HydrophobicContact CD1-CB 4.23Å; Y123-E129 HydrophobicContact CD1-CG 4.48Å; Y123-E129 HydrophobicContact CE1-CB 3.82Å; Y123-E129 HydrophobicContact CE1-CG 3.81Å; Y123-E129 HydrophobicContact CE2-CB 4.2Å; Y123-E129 WeakPolarHBondContact O-CB 3.48Å; Y123-D132 WeakPolarHBondContact CE2-OD2 3.42Å; Y123-D132 PolarHBondContact OH-OD2 2.92Å; Y123-L152 HydrophobicContact CE1-CB 4.04Å; Y123-L152 WeakPolarHBondContact CE1-O 3.28Å; Y123-L152 HydrophobicContact CE2-CB 4.48Å; Y123-L152 HydrophobicContact CE2-CD1 4.39Å; Y123-L153 HydrophobicContact CD1-CB 4.48Å; Y123-L153 HydrophobicContact CD1-CD1 3.85Å; Y123-L153 HydrophobicContact CD1-CG 4.49Å; Y123-L153 HydrophobicContact CG-CD1 4.17Å
124K91Very high93.7Very high83 Ų8374 Ų7436%0.36137%0.371SS..THydrogen-bonded Turntrans-65121-177.9-71.2-168.6177.6-160.50111C120 S126 L153 D158C120-K124 WeakPolarHBondContact O-CB 3.21Å; C120-K124 WeakPolarHBondContact O-CG 3.27Å; C120-K124 PolarHBondContact O-N 3.05Å; K124-S126 VanDerWaalsContact C-N 3.3Å; K124-L153 WeakPolarHBondContact CE-O 3.38Å; K124-L153 PolarHBondContact NZ-O 2.91Å; K124-D158 IonicContact NZ-OD2 2.69Å; K124-D158 PolarHBondContact NZ-OD2 3.12Å
125G89.3Confident93.9Very high65 Ų6572.7 Ų72.767%0.6737%0.367SS*.THydrogen-bonded Turntrans81.14.3-176.300000114.5Y123 E129Y123-G125 PolarHBondContact O-N 2.79Å; G125-E129 PolarHBondContact N-OE2 3.26Å
126S93.8Very high94.1Very high28 Ų2869.9 Ų69.920%0.19635%0.352CS..SBendtrans-77.3164.117568.50000112.5K122 Y123 K124 Q128 E129 T130K122-S126 VanDerWaalsContact O-CB 3.28Å; K122-S126 WeakPolarHBondContact O-CB 3.25Å; Y123-S126 VanDerWaalsContact O-CB 3.26Å; Y123-S126 WeakPolarHBondContact O-CB 3.31Å; Y123-S126 PolarHBondContact O-N 3.45Å; Y123-S126 PolarHBondContact O-OG 3.49Å; K124-S126 VanDerWaalsContact C-N 3.3Å; S126-Q128 VanDerWaalsContact C-N 3.27Å; S126-Q128 PolarHBondContact O-N 2.96Å; S126-Q128 PolarHBondContact OG-N 3.33Å; S126-E129 PolarHBondContact O-N 3.34Å; S126-E129 PolarHBondContact OG-N 2.96Å; S126-E129 VanDerWaalsContact OG-N 3.12Å; S126-T130 PolarHBondContact O-N 3.5Å
127E93.7Very high94.3Very high142 Ų14265.9 Ų65.966%0.66433%0.331SS*.Hα-helixtrans-60.2-39.5169.2-173.6166.4-151.300111.4E129 T130 E131E127-E129 VanDerWaalsContact C-N 3.33Å; E127-E129 PolarHBondContact O-N 3.38Å; E127-T130 CarbonylContact O-C 3.58Å; E127-T130 WeakPolarHBondContact O-CA 3.32Å; E127-T130 WeakPolarHBondContact O-CB 3.38Å; E127-T130 PolarHBondContact O-N 2.75Å; E127-T130 PolarHBondContact O-OG1 3.32Å; E127-E131 HydrophobicContact CG-CG 4.48Å; E127-E131 WeakPolarHBondContact O-CG 3.35Å; E127-E131 PolarHBondContact O-N 3.37Å
128Q95Very high94.4Very high90 Ų9064.7 Ų64.742%0.42133%0.325SS..Hα-helixtrans-58.2-42.4176.4-170.6-176.2-14.100112.2Y123 S126 T130 E131 D132Y123-Q128 HydrophobicContact CE2-CG 4.35Å; S126-Q128 VanDerWaalsContact C-N 3.27Å; S126-Q128 PolarHBondContact O-N 2.96Å; S126-Q128 PolarHBondContact OG-N 3.33Å; Q128-T130 PolarHBondContact O-N 3.13Å; Q128-E131 PolarHBondContact O-N 3.49Å; Q128-D132 WeakPolarHBondContact O-CB 3.3Å; Q128-D132 PolarHBondContact O-N 2.87Å
129E95.6Very high94.5Very high0 Ų071.2 Ų71.20%034%0.344CS..Hα-helixtrans-60.9-37.8174.5176.8-179.9-142.800111.4Y123 G125 S126 E127 L133 R161Y123-E129 HydrophobicContact CD1-CB 4.23Å; Y123-E129 HydrophobicContact CD1-CG 4.48Å; Y123-E129 HydrophobicContact CE1-CB 3.82Å; Y123-E129 HydrophobicContact CE1-CG 3.81Å; Y123-E129 HydrophobicContact CE2-CB 4.2Å; Y123-E129 WeakPolarHBondContact O-CB 3.48Å; G125-E129 PolarHBondContact N-OE2 3.26Å; S126-E129 PolarHBondContact O-N 3.34Å; S126-E129 PolarHBondContact OG-N 2.96Å; S126-E129 VanDerWaalsContact OG-N 3.12Å; E127-E129 VanDerWaalsContact C-N 3.33Å; E127-E129 PolarHBondContact O-N 3.38Å; E129-L133 WeakPolarHBondContact O-CB 3.43Å; E129-L133 PolarHBondContact O-N 3.19Å; E129-R161 VanDerWaalsContact CD-NH1 3.26Å; E129-R161 IonicContact OE1-CZ 3.81Å; E129-R161 IonicContact OE1-NH1 2.75Å; E129-R161 PolarHBondContact OE1-NH1 2.85Å; E129-R161 IonicContact OE1-NH2 2.72Å; E129-R161 PolarHBondContact OE1-NH2 3.47Å; E129-R161 IonicContact OE2-CZ 3.58Å; E129-R161 IonicContact OE2-NH1 2.91Å; E129-R161 PolarHBondContact OE2-NH1 2.87Å
130T94.7Very high94.6Very high30 Ų3067.1 Ų67.118%0.18433%0.33CS..Hα-helixtrans-70.4-37.3178.265.30000112.5S126 E127 Q128 L133 I134S126-T130 PolarHBondContact O-N 3.5Å; E127-T130 CarbonylContact O-C 3.58Å; E127-T130 WeakPolarHBondContact O-CA 3.32Å; E127-T130 WeakPolarHBondContact O-CB 3.38Å; E127-T130 PolarHBondContact O-N 2.75Å; E127-T130 PolarHBondContact O-OG1 3.32Å; Q128-T130 PolarHBondContact O-N 3.13Å; T130-L133 PolarHBondContact O-N 3.32Å; T130-I134 WeakPolarHBondContact O-CD1 3.25Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 2.79Å
131E96.1Very high94.6Very high108 Ų10871.9 Ų71.951%0.50535%0.347SS..Hα-helixtrans-65.7-49.3175.7-69.7176.7169.300111.2E127 Q128 L133 I134 E135E127-E131 HydrophobicContact CG-CG 4.48Å; E127-E131 WeakPolarHBondContact O-CG 3.35Å; E127-E131 PolarHBondContact O-N 3.37Å; Q128-E131 PolarHBondContact O-N 3.49Å; E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 PolarHBondContact O-N 2.79Å; E131-I134 WeakPolarHBondContact O-CB 3.29Å; E131-I134 PolarHBondContact O-N 2.78Å; E131-I134 VanDerWaalsContact O-N 3.08Å; E131-E135 PolarHBondContact O-N 3.17Å
132D96.3Very high94.6Very high38 Ų3864.7 Ų64.720%0.20332%0.316CS..Hα-helixtrans-59.4-41.4175.9-71.3-9000110.3Y123 Q128 I134 E135 I136 L151Y123-D132 WeakPolarHBondContact CE2-OD2 3.42Å; Y123-D132 PolarHBondContact OH-OD2 2.92Å; Q128-D132 WeakPolarHBondContact O-CB 3.3Å; Q128-D132 PolarHBondContact O-N 2.87Å; D132-I134 PolarHBondContact O-N 2.79Å; D132-E135 PolarHBondContact O-N 3.47Å; D132-I136 WeakPolarHBondContact O-CB 3.4Å; D132-I136 WeakPolarHBondContact O-CD1 3.45Å; D132-I136 WeakPolarHBondContact O-CG1 3.42Å; D132-I136 PolarHBondContact O-N 3.36Å; D132-L151 HydrophobicContact CB-CD1 4.36Å
133L95.8Very high94.6Very high1 Ų158.2 Ų58.21%0.00529%0.289CS..Hα-helixtrans-62.7-40.7175.7178.960.5000112.1E129 T130 E131 Y137 I147 L151 V162 L165 I166 L169E129-L133 WeakPolarHBondContact O-CB 3.43Å; E129-L133 PolarHBondContact O-N 3.19Å; T130-L133 PolarHBondContact O-N 3.32Å; E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 PolarHBondContact O-N 2.79Å; L133-Y137 WeakPolarHBondContact O-CB 3.49Å; L133-Y137 PolarHBondContact O-N 3.39Å; L133-I147 HydrophobicContact CD1-CG2 3.86Å; L133-L151 HydrophobicContact CB-CD1 4.37Å; L133-L151 HydrophobicContact CD1-CD2 4.2Å; L133-V162 HydrophobicContact CD1-CG1 3.84Å; L133-V162 HydrophobicContact CD2-CG1 4.42Å; L133-L165 HydrophobicContact CD2-CB 3.74Å; L133-L165 HydrophobicContact CD2-CD1 4.34Å; L133-I166 HydrophobicContact CD1-CD1 4.23Å; L133-I166 HydrophobicContact CD1-CG1 4.06Å; L133-I166 HydrophobicContact CD2-CG1 3.98Å; L133-I166 HydrophobicContact CG-CG1 4.25Å; L133-L169 HydrophobicContact CD2-CD1 4.09Å; L133-L169 HydrophobicContact CG-CD1 4.45Å
134I95.7Very high94.4Very high38 Ų3858.1 Ų58.120%0.19529%0.289CS..Hα-helixtrans-62.9-47.7176.2-70.7162.9000110.1T130 E131 D132 I136 Y137 N138 L169 I175T130-I134 WeakPolarHBondContact O-CD1 3.25Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 2.79Å; E131-I134 WeakPolarHBondContact O-CB 3.29Å; E131-I134 PolarHBondContact O-N 2.78Å; E131-I134 VanDerWaalsContact O-N 3.08Å; D132-I134 PolarHBondContact O-N 2.79Å; I134-I136 PolarHBondContact O-N 3.09Å; I134-Y137 PolarHBondContact O-N 3.09Å; I134-N138 WeakPolarHBondContact O-CB 3.35Å; I134-N138 VanDerWaalsContact O-CG 3.26Å; I134-N138 PolarHBondContact O-N 2.82Å; I134-N138 PolarHBondContact O-ND2 3.35Å; I134-L169 HydrophobicContact CD1-CD1 4.43Å; I134-L169 HydrophobicContact CD1-CD2 4.19Å; I134-L169 HydrophobicContact CG1-CD1 3.87Å; I134-L169 HydrophobicContact CG1-CD2 4.47Å; I134-I175 HydrophobicContact CB-CG2 4.18Å; I134-I175 HydrophobicContact CG1-CG2 3.74Å; I134-I175 HydrophobicContact CG2-CG2 3.77Å
135E96.4Very high94.5Very high126 Ų12655 Ų5559%0.58928%0.276SS*.Hα-helixtrans-59.4-49.7178.7-171-170.6153.100110.9E131 D132 Y137 N138 R139E131-E135 PolarHBondContact O-N 3.17Å; D132-E135 PolarHBondContact O-N 3.47Å; E135-Y137 PolarHBondContact O-N 3.26Å; E135-N138 PolarHBondContact O-N 2.83Å; E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 PolarHBondContact O-N 3.27Å
136I96.7Very high94.7Very high28 Ų2854.9 Ų54.914%0.14426%0.262CS..Hα-helixtrans-65.4-41.3-179-66.1165.6000110.9D132 I134 R139 S140 I147 L151D132-I136 WeakPolarHBondContact O-CB 3.4Å; D132-I136 WeakPolarHBondContact O-CD1 3.45Å; D132-I136 WeakPolarHBondContact O-CG1 3.42Å; D132-I136 PolarHBondContact O-N 3.36Å; I134-I136 PolarHBondContact O-N 3.09Å; I136-R139 PolarHBondContact O-N 2.84Å; I136-S140 VanDerWaalsContact O-CB 3.24Å; I136-S140 WeakPolarHBondContact O-CB 3.38Å; I136-S140 PolarHBondContact O-N 2.8Å; I136-S140 PolarHBondContact O-OG 3.13Å; I136-I147 HydrophobicContact CG2-CB 4.21Å; I136-I147 HydrophobicContact CG2-CG1 4Å; I136-I147 HydrophobicContact CG2-CG2 4.28Å; I136-L151 HydrophobicContact CD1-CB 4.1Å; I136-L151 HydrophobicContact CD1-CD1 3.75Å
137Y96.2Very high94.7Very high0 Ų053.6 Ų53.60%025%0.253CS..Hα-helixtrans-62-44.4177.8177.9-90.3000111.3L133 I134 E135 S140 K141 G142 I147 I166 I175 D176 Y178 Y181L133-Y137 WeakPolarHBondContact O-CB 3.49Å; L133-Y137 PolarHBondContact O-N 3.39Å; I134-Y137 PolarHBondContact O-N 3.09Å; E135-Y137 PolarHBondContact O-N 3.26Å; Y137-S140 PolarHBondContact O-N 3.31Å; Y137-S140 PolarHBondContact O-OG 3.3Å; Y137-K141 CarbonylContact O-C 3.24Å; Y137-K141 WeakPolarHBondContact O-CA 3.16Å; Y137-K141 PolarHBondContact O-N 3.18Å; Y137-G142 VanDerWaalsContact CE2-CA 3.43Å; Y137-G142 PolarHBondContact O-N 3.32Å; Y137-I147 HydrophobicContact CD2-CD1 3.8Å; Y137-I166 HydrophobicContact CD2-CD1 4.13Å; Y137-I166 HydrophobicContact CD2-CG1 4.41Å; Y137-I166 HydrophobicContact CD2-CG2 4.02Å; Y137-I166 HydrophobicContact CE2-CG2 3.69Å; Y137-I175 HydrophobicContact CD1-CB 4.17Å; Y137-I175 HydrophobicContact CD1-CD1 3.8Å; Y137-I175 HydrophobicContact CD1-CG1 4.39Å; Y137-I175 HydrophobicContact CD1-CG2 4.49Å; Y137-I175 HydrophobicContact CD2-CD1 4.39Å; Y137-I175 HydrophobicContact CE1-CB 4.11Å; Y137-I175 HydrophobicContact CE1-CD1 3.85Å; Y137-I175 HydrophobicContact CE1-CG1 4.17Å; Y137-I175 HydrophobicContact CE2-CD1 4.46Å; Y137-I175 HydrophobicContact CG-CD1 4.08Å; Y137-D176 WeakPolarHBondContact CE1-O 3.42Å; Y137-D176 PolarHBondContact OH-O 2.79Å; Y137-Y178 AromaticContact CD1-CD2 4Å; Y137-Y178 HydrophobicContact CD1-CD2 4Å; Y137-Y178 HydrophobicContact CD1-CE2 4Å; Y137-Y178 AromaticContact CE1-CD2 3.31Å; Y137-Y178 HydrophobicContact CE1-CD2 3.31Å; Y137-Y178 AromaticContact CE1-CE2 3.63Å; Y137-Y178 HydrophobicContact CE1-CE2 3.63Å; Y137-Y178 HydrophobicContact CE1-CG 4.44Å; Y137-Y178 AromaticContact CZ-CD2 3.7Å; Y137-Y178 PolarHBondContact OH-N 3.41Å; Y137-Y181 HydrophobicContact CE2-CD2 4.21Å; Y137-Y181 HydrophobicContact CE2-CG 4.01Å
138N95.4Very high94.6Very high65 Ų6547.2 Ų47.235%0.34822%0.223SC..Hα-helixtrans-65.8-45.9176.6-71.4-24.5000111.8I134 E135 S140 K141I134-N138 WeakPolarHBondContact O-CB 3.35Å; I134-N138 VanDerWaalsContact O-CG 3.26Å; I134-N138 PolarHBondContact O-N 2.82Å; I134-N138 PolarHBondContact O-ND2 3.35Å; E135-N138 PolarHBondContact O-N 2.83Å; N138-S140 VanDerWaalsContact C-N 3.33Å; N138-S140 PolarHBondContact O-N 3.33Å; N138-K141 PolarHBondContact O-N 2.69Å
139R96.3Very high94.5Very high213 Ų21349.3 Ų49.380%0.80423%0.233SC*.Hα-helixtrans-61.4-40.8177.8-178.6177.3174.3173.7-2112.4E135 I136 K141E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 PolarHBondContact O-N 3.27Å; I136-R139 PolarHBondContact O-N 2.84Å; R139-K141 VanDerWaalsContact C-N 3.34Å
140S94.7Very high94.4Very high12 Ų1252.3 Ų52.38%0.08425%0.254CS..Hα-helixtrans-83.3-10179.263.40000113.6I136 Y137 N138 G142 D143 I147I136-S140 VanDerWaalsContact O-CB 3.24Å; I136-S140 WeakPolarHBondContact O-CB 3.38Å; I136-S140 PolarHBondContact O-N 2.8Å; I136-S140 PolarHBondContact O-OG 3.13Å; Y137-S140 PolarHBondContact O-N 3.31Å; Y137-S140 PolarHBondContact O-OG 3.3Å; N138-S140 VanDerWaalsContact C-N 3.33Å; N138-S140 PolarHBondContact O-N 3.33Å; S140-G142 VanDerWaalsContact C-N 3.25Å; S140-G142 PolarHBondContact O-N 3.33Å; S140-G142 PolarHBondContact OG-N 3.12Å; S140-D143 PolarHBondContact O-N 3.33Å; S140-I147 VanDerWaalsContact OG-CG1 3.3Å; S140-I147 WeakPolarHBondContact OG-CG1 3.3Å
141K93.6Very high94.4Very high127 Ų12751.2 Ų51.255%0.55225%0.247SC*.THydrogen-bonded Turntrans54.141.9-170.6-55.1-178.2179.2-1770112Y137 N138 R139 Y178 K180Y137-K141 CarbonylContact O-C 3.24Å; Y137-K141 WeakPolarHBondContact O-CA 3.16Å; Y137-K141 PolarHBondContact O-N 3.18Å; N138-K141 PolarHBondContact O-N 2.69Å; R139-K141 VanDerWaalsContact C-N 3.34Å; K141-Y178 HydrophobicContact CB-CD1 4.4Å; K141-Y178 HydrophobicContact CB-CD2 4.32Å; K141-Y178 HydrophobicContact CB-CG 4.24Å; K141-Y178 VanDerWaalsContact O-CB 3.22Å; K141-Y178 WeakPolarHBondContact O-CB 3.44Å; K141-K180 WeakPolarHBondContact O-CB 3.42Å
142G92.4Very high94.2Very high0 Ų050.3 Ų50.30%025%0.245CC..SBendtrans75.517.6179.200000115.8Y137 S140 M144 Y181Y137-G142 VanDerWaalsContact CE2-CA 3.43Å; Y137-G142 PolarHBondContact O-N 3.32Å; S140-G142 VanDerWaalsContact C-N 3.25Å; S140-G142 PolarHBondContact O-N 3.33Å; S140-G142 PolarHBondContact OG-N 3.12Å; G142-M144 PolarHBondContact O-N 3.18Å; G142-Y181 WeakPolarHBondContact O-CA 3.49Å; G142-Y181 WeakPolarHBondContact O-CB 3.3Å
143D93.4Very high93.9Very high26 Ų2651.5 Ų51.514%0.13925%0.251CS..  trans-77.2105.4175.4-163.1-26.1000111S140 D145 V146 I147 K180 K188S140-D143 PolarHBondContact O-N 3.33Å; D143-D145 PolarHBondContact O-N 3.36Å; D143-D145 PolarHBondContact OD1-N 3.12Å; D143-D145 VanDerWaalsContact OD1-N 3.15Å; D143-V146 HydrophobicContact CB-CB 4.35Å; D143-V146 HydrophobicContact CB-CG2 4.08Å; D143-V146 PolarHBondContact O-N 3.02Å; D143-I147 WeakPolarHBondContact O-CG1 3.31Å; D143-I147 PolarHBondContact O-N 3.1Å; D143-K180 HydrophobicContact CB-CD 4.31Å; D143-K188 IonicContact OD1-NZ 2.74Å; D143-K188 IonicContact OD2-NZ 3.13Å
144M90.7Very high93.6Very high0 Ų052.7 Ų52.70%026%0.258CS..Hα-helixtrans-60.5-29.6-178-72.7-60.2-61.200113.7G142 V146 I147 M148 E159 R163 I166 Y181G142-M144 PolarHBondContact O-N 3.18Å; M144-V146 VanDerWaalsContact C-N 3.31Å; M144-V146 PolarHBondContact O-N 2.8Å; M144-I147 HydrophobicContact SD-CD1 3.9Å; M144-M148 HydrophobicContact CE-CG 4.27Å; M144-M148 HydrophobicContact CE-SD 4.15Å; M144-M148 WeakPolarHBondContact O-CB 3.38Å; M144-M148 WeakPolarHBondContact O-CG 3.45Å; M144-M148 PolarHBondContact O-N 3.44Å; M144-E159 HydrophobicContact CE-CG 3.88Å; M144-R163 HydrophobicContact CE-CG 3.69Å; M144-R163 HydrophobicContact SD-CG 4.4Å; M144-I166 HydrophobicContact CE-CD1 4.44Å; M144-I166 HydrophobicContact SD-CD1 3.65Å; M144-Y181 HydrophobicContact CG-CD2 3.89Å; M144-Y181 HydrophobicContact CG-CE2 4.05Å; M144-Y181 HydrophobicContact SD-CD2 3.8Å; M144-Y181 HydrophobicContact SD-CE2 3.6Å; M144-Y181 VanDerWaalsContact SD-CE2 3.6Å
145D91.8Very high93.2Very high19 Ų1952.6 Ų52.610%0.10226%0.261CS..Hα-helixtrans-62.2-44175.7-68.4-43.2000109.9D143 E149 K188 R191 R192D143-D145 PolarHBondContact O-N 3.36Å; D143-D145 PolarHBondContact OD1-N 3.12Å; D143-D145 VanDerWaalsContact OD1-N 3.15Å; D145-E149 WeakPolarHBondContact O-CG 3.44Å; D145-E149 PolarHBondContact O-N 3.47Å; D145-K188 IonicContact OD2-NZ 3.91Å; D145-K188 PolarHBondContact OD2-NZ 2.94Å; D145-R191 IonicContact OD1-NH2 2.62Å; D145-R191 PolarHBondContact OD1-NH2 3.41Å; D145-R191 IonicContact OD2-NH2 2.64Å; D145-R191 PolarHBondContact OD2-NH2 2.7Å; D145-R192 VanDerWaalsContact CG-NH1 3.26Å; D145-R192 WeakPolarHBondContact OD1-CD 3.24Å; D145-R192 IonicContact OD1-CZ 3.34Å; D145-R192 IonicContact OD1-NE 3.69Å; D145-R192 IonicContact OD1-NH1 2.97Å; D145-R192 PolarHBondContact OD1-NH1 3.49Å; D145-R192 IonicContact OD2-NH1 2.79Å
146V93.6Very high92.8Very high62 Ų6248.1 Ų48.138%0.37624%0.239SC..Hα-helixtrans-73.7-38.9-179.4-1780000111.5D143 M144 E149 S150D143-V146 HydrophobicContact CB-CB 4.35Å; D143-V146 HydrophobicContact CB-CG2 4.08Å; D143-V146 PolarHBondContact O-N 3.02Å; M144-V146 VanDerWaalsContact C-N 3.31Å; M144-V146 PolarHBondContact O-N 2.8Å; V146-E149 PolarHBondContact O-N 3.21Å; V146-S150 VanDerWaalsContact O-CB 3.31Å; V146-S150 WeakPolarHBondContact O-CB 3.31Å; V146-S150 PolarHBondContact O-N 2.94Å; V146-S150 PolarHBondContact O-OG 3.47Å
147I95.2Very high92.4Very high0 Ų051.3 Ų51.30%025%0.249CC..Hα-helixtrans-60.5-48.8178.5-65.9163.5000110.2L133 I136 Y137 S140 D143 M144 E149 S150 L151 V162 I166L133-I147 HydrophobicContact CD1-CG2 3.86Å; I136-I147 HydrophobicContact CG2-CB 4.21Å; I136-I147 HydrophobicContact CG2-CG1 4Å; I136-I147 HydrophobicContact CG2-CG2 4.28Å; Y137-I147 HydrophobicContact CD2-CD1 3.8Å; S140-I147 VanDerWaalsContact OG-CG1 3.3Å; S140-I147 WeakPolarHBondContact OG-CG1 3.3Å; D143-I147 WeakPolarHBondContact O-CG1 3.31Å; D143-I147 PolarHBondContact O-N 3.1Å; M144-I147 HydrophobicContact SD-CD1 3.9Å; I147-E149 VanDerWaalsContact C-N 3.26Å; I147-E149 PolarHBondContact O-N 2.87Å; I147-S150 PolarHBondContact O-N 3.23Å; I147-L151 VanDerWaalsContact O-CB 3.31Å; I147-L151 WeakPolarHBondContact O-CB 3.35Å; I147-L151 PolarHBondContact O-N 2.74Å; I147-V162 HydrophobicContact CG2-CG1 4.25Å; I147-I166 HydrophobicContact CD1-CD1 4.16Å
148M91.8Very high91.9Very high8 Ų853.2 Ų53.24%0.03926%0.26CS..Hα-helixtrans-66.7-27.4-177.5-65-58.4-68.400113.1M144 T154 S155 Y156 E159 V162M144-M148 HydrophobicContact CE-CG 4.27Å; M144-M148 HydrophobicContact CE-SD 4.15Å; M144-M148 WeakPolarHBondContact O-CB 3.38Å; M144-M148 WeakPolarHBondContact O-CG 3.45Å; M144-M148 PolarHBondContact O-N 3.44Å; M148-T154 HydrophobicContact CE-CG2 3.3Å; M148-T154 HydrophobicContact SD-CG2 3.69Å; M148-S155 WeakPolarHBondContact CE-O 3.49Å; M148-Y156 HydrophobicContact CB-CD1 4.46Å; M148-Y156 HydrophobicContact CB-CE1 4.21Å; M148-E159 HydrophobicContact CE-CB 3.77Å; M148-E159 HydrophobicContact CE-CG 4.46Å; M148-E159 HydrophobicContact SD-CB 4.22Å; M148-E159 HydrophobicContact SD-CG 4.31Å; M148-V162 HydrophobicContact SD-CB 4.32Å; M148-V162 HydrophobicContact SD-CG1 4.44Å; M148-V162 HydrophobicContact SD-CG2 4.32Å
149E91.7Very high91.7Very high135 Ų13550.9 Ų50.963%0.63125%0.247SC*.Hα-helixtrans-83.7-22176.2-71177.1-178.400113.2D145 V146 I147 Y156D145-E149 WeakPolarHBondContact O-CG 3.44Å; D145-E149 PolarHBondContact O-N 3.47Å; V146-E149 PolarHBondContact O-N 3.21Å; I147-E149 VanDerWaalsContact C-N 3.26Å; I147-E149 PolarHBondContact O-N 2.87Å; E149-Y156 PolarHBondContact OE1-OH 3.41Å
150S93.8Very high91.4Very high62 Ų6246.4 Ų46.443%0.43424%0.243SC..Hα-helixtrans-100.4-30.9-175.5-53.10000113.4V146 I147 L152V146-S150 VanDerWaalsContact O-CB 3.31Å; V146-S150 WeakPolarHBondContact O-CB 3.31Å; V146-S150 PolarHBondContact O-N 2.94Å; V146-S150 PolarHBondContact O-OG 3.47Å; I147-S150 PolarHBondContact O-N 3.23Å; S150-L152 PolarHBondContact O-N 2.82Å
151L94.1Very high91.3Very high8 Ų849.5 Ų49.54%0.04225%0.253CS..SBendtrans-71.6130.8-174.9-172.366.2000111D132 L133 I136 I147 T154 V162D132-L151 HydrophobicContact CB-CD1 4.36Å; L133-L151 HydrophobicContact CB-CD1 4.37Å; L133-L151 HydrophobicContact CD1-CD2 4.2Å; I136-L151 HydrophobicContact CD1-CB 4.1Å; I136-L151 HydrophobicContact CD1-CD1 3.75Å; I147-L151 VanDerWaalsContact O-CB 3.31Å; I147-L151 WeakPolarHBondContact O-CB 3.35Å; I147-L151 PolarHBondContact O-N 2.74Å; L151-T154 HydrophobicContact CD2-CG2 4.4Å; L151-T154 VanDerWaalsContact CD2-OG1 3.27Å; L151-T154 WeakPolarHBondContact CD2-OG1 3.3Å; L151-T154 WeakPolarHBondContact CG-OG1 3.36Å; L151-T154 WeakPolarHBondContact O-CB 3.49Å; L151-V162 HydrophobicContact CD2-CG1 4.14Å; L151-V162 HydrophobicContact CD2-CG2 3.94Å
152L92.6Very high91.3Very high88 Ų8843.5 Ų43.546%0.46123%0.227SC..THydrogen-bonded Turntrans-60.9142.4179.9-66.1176.5000111.2Y123 S150 T154Y123-L152 HydrophobicContact CE1-CB 4.04Å; Y123-L152 WeakPolarHBondContact CE1-O 3.28Å; Y123-L152 HydrophobicContact CE2-CB 4.48Å; Y123-L152 HydrophobicContact CE2-CD1 4.39Å; S150-L152 PolarHBondContact O-N 2.82Å; L152-T154 PolarHBondContact O-N 3.2Å; L152-T154 PolarHBondContact O-OG1 3.13Å; L152-T154 VanDerWaalsContact O-OG1 3.13Å
153L89.8Confident91.3Very high63 Ų6346 Ų4633%0.3324%0.236SC..THydrogen-bonded Turntrans57.225.7173.1-53.6176000114.7Y119 C120 Y123 K124Y119-L153 HydrophobicContact CD1-CD1 4.07Å; Y119-L153 HydrophobicContact CE1-CD1 4.18Å; C120-L153 HydrophobicContact CB-CD1 3.96Å; C120-L153 VanDerWaalsContact SG-CD1 3.51Å; C120-L153 VanDerWaalsContact SG-CD2 3.51Å; Y123-L153 HydrophobicContact CD1-CB 4.48Å; Y123-L153 HydrophobicContact CD1-CD1 3.85Å; Y123-L153 HydrophobicContact CD1-CG 4.49Å; Y123-L153 HydrophobicContact CG-CD1 4.17Å; K124-L153 WeakPolarHBondContact CE-O 3.38Å; K124-L153 PolarHBondContact NZ-O 2.91Å
154T90.6Very high91.3Very high26 Ų2646 Ų4616%0.1624%0.243CC..  trans-106.7137.9-178.9-61.70000110M148 L151 L152 D158 V162M148-T154 HydrophobicContact CE-CG2 3.3Å; M148-T154 HydrophobicContact SD-CG2 3.69Å; L151-T154 HydrophobicContact CD2-CG2 4.4Å; L151-T154 VanDerWaalsContact CD2-OG1 3.27Å; L151-T154 WeakPolarHBondContact CD2-OG1 3.3Å; L151-T154 WeakPolarHBondContact CG-OG1 3.36Å; L151-T154 WeakPolarHBondContact O-CB 3.49Å; L152-T154 PolarHBondContact O-N 3.2Å; L152-T154 PolarHBondContact O-OG1 3.13Å; L152-T154 VanDerWaalsContact O-OG1 3.13Å; T154-D158 HydrophobicContact CG2-CB 4.45Å; T154-V162 HydrophobicContact CG2-CG2 4.06Å
155S87.5Confident91.5Very high36 Ų3647.6 Ų47.625%0.25225%0.251SS..  trans-125162.1169.3154.30000107.9M148 R157 D158 E199M148-S155 WeakPolarHBondContact CE-O 3.49Å; S155-R157 PolarHBondContact O-N 2.92Å; S155-R157 PolarHBondContact OG-N 2.97Å; S155-D158 WeakPolarHBondContact O-CB 3.42Å; S155-D158 PolarHBondContact O-N 2.91Å; S155-E199 PolarHBondContact OG-OE2 2.99Å
156Y87.3Confident91.7Very high32 Ų3246.7 Ų46.713%0.12525%0.246CC..G310 helixtrans-53.6-20.9173.9-65.2-75.4000113.8M148 E149 D158 E159 R192 R195 E199M148-Y156 HydrophobicContact CB-CD1 4.46Å; M148-Y156 HydrophobicContact CB-CE1 4.21Å; E149-Y156 PolarHBondContact OE1-OH 3.41Å; Y156-D158 VanDerWaalsContact C-N 3.31Å; Y156-E159 PolarHBondContact O-N 2.81Å; Y156-R192 HydrophobicContact CD1-CB 3.89Å; Y156-R192 HydrophobicContact CD1-CG 3.88Å; Y156-R192 HydrophobicContact CE1-CB 4.3Å; Y156-R192 HydrophobicContact CE1-CG 3.77Å; Y156-R195 HydrophobicContact CD2-CB 4.17Å; Y156-R195 HydrophobicContact CG-CB 4.2Å; Y156-R195 PolarHBondContact OH-NH1 3.37Å; Y156-E199 WeakPolarHBondContact CD2-OE1 3.44Å
157R87.5Confident91.8Very high95 Ų9547.3 Ų47.336%0.35825%0.248SC..G310 helixtrans-67.7-29.7172.6-56.4-175.3-164.7-149.217.9113.8S155 E159 A196 E199 E200S155-R157 PolarHBondContact O-N 2.92Å; S155-R157 PolarHBondContact OG-N 2.97Å; R157-E159 VanDerWaalsContact C-N 3.32Å; R157-A196 HydrophobicContact CG-CB 4.28Å; R157-E199 VanDerWaalsContact NH2-C 3.29Å; R157-E199 PolarHBondContact NH2-O 3.23Å; R157-E199 VanDerWaalsContact NH2-O 3.08Å; R157-E200 VanDerWaalsContact CZ-CG 3.48Å; R157-E200 IonicContact CZ-OE1 2.76Å; R157-E200 IonicContact NE-OE1 3.6Å; R157-E200 VanDerWaalsContact NH1-CD 3.34Å; R157-E200 VanDerWaalsContact NH1-CG 3.27Å; R157-E200 IonicContact NH1-OE1 2.9Å; R157-E200 PolarHBondContact NH1-OE1 2.98Å
158D86.9Confident91.8Very high41 Ų4154.3 Ų54.322%0.21928%0.278CS..G310 helixtrans-87.82.2-178.6-70.9-34.4000112.1K124 T154 S155 Y156 T160 R161 V162K124-D158 IonicContact NZ-OD2 2.69Å; K124-D158 PolarHBondContact NZ-OD2 3.12Å; T154-D158 HydrophobicContact CG2-CB 4.45Å; S155-D158 WeakPolarHBondContact O-CB 3.42Å; S155-D158 PolarHBondContact O-N 2.91Å; Y156-D158 VanDerWaalsContact C-N 3.31Å; D158-T160 VanDerWaalsContact C-N 3.3Å; D158-T160 PolarHBondContact O-N 2.84Å; D158-R161 WeakPolarHBondContact O-CB 3.43Å; D158-R161 PolarHBondContact O-N 3.44Å; D158-V162 PolarHBondContact O-N 2.84Å
159E90Very high91.9Very high15 Ų1554.5 Ų54.57%0.0728%0.279CS..Hα-helixtrans-54.7-44.8-175.9-175.6173.3162.200112M144 M148 Y156 R157 R161 V162 R163 R192M144-E159 HydrophobicContact CE-CG 3.88Å; M148-E159 HydrophobicContact CE-CB 3.77Å; M148-E159 HydrophobicContact CE-CG 4.46Å; M148-E159 HydrophobicContact SD-CB 4.22Å; M148-E159 HydrophobicContact SD-CG 4.31Å; Y156-E159 PolarHBondContact O-N 2.81Å; R157-E159 VanDerWaalsContact C-N 3.32Å; E159-R161 VanDerWaalsContact C-N 3.27Å; E159-R161 PolarHBondContact O-N 2.86Å; E159-V162 PolarHBondContact O-N 2.68Å; E159-R163 HydrophobicContact CG-CG 4.3Å; E159-R163 WeakPolarHBondContact O-CB 3.46Å; E159-R163 WeakPolarHBondContact O-CG 3.49Å; E159-R163 PolarHBondContact O-N 2.83Å; E159-R163 IonicContact OE1-CZ 2.92Å; E159-R163 IonicContact OE1-NE 3.21Å; E159-R163 PolarHBondContact OE1-NE 3.3Å; E159-R163 IonicContact OE1-NH2 2.93Å; E159-R163 PolarHBondContact OE1-NH2 2.86Å; E159-R192 VanDerWaalsContact CD-NE 3.33Å; E159-R192 IonicContact OE1-CZ 2.68Å; E159-R192 IonicContact OE1-NE 3.49Å; E159-R192 PolarHBondContact OE1-NE 2.86Å; E159-R192 VanDerWaalsContact OE1-NE 3.13Å; E159-R192 IonicContact OE1-NH2 3.72Å; E159-R192 PolarHBondContact OE1-NH2 2.81Å; E159-R192 WeakPolarHBondContact OE2-CB 3.46Å; E159-R192 WeakPolarHBondContact OE2-CD 3.26Å; E159-R192 IonicContact OE2-NE 3.16Å; E159-R192 PolarHBondContact OE2-NE 3.05Å
160T90.2Very high92.1Very high120 Ų12050.2 Ų50.274%0.73626%0.26SS*.Hα-helixtrans-60.1-38.7179-52.90000111.9D158 G164D158-T160 VanDerWaalsContact C-N 3.3Å; D158-T160 PolarHBondContact O-N 2.84Å; T160-G164 PolarHBondContact O-N 3.01Å
161R92.8Very high92.2Very high77 Ų7752.3 Ų52.329%0.29128%0.275SS..Hα-helixtrans-67.5-47.2177.3-176.3-169.967.786.72.1110.7E129 D158 E159 G164 L165E129-R161 VanDerWaalsContact CD-NH1 3.26Å; E129-R161 IonicContact OE1-CZ 3.81Å; E129-R161 IonicContact OE1-NH1 2.75Å; E129-R161 PolarHBondContact OE1-NH1 2.85Å; E129-R161 IonicContact OE1-NH2 2.72Å; E129-R161 PolarHBondContact OE1-NH2 3.47Å; E129-R161 IonicContact OE2-CZ 3.58Å; E129-R161 IonicContact OE2-NH1 2.91Å; E129-R161 PolarHBondContact OE2-NH1 2.87Å; D158-R161 WeakPolarHBondContact O-CB 3.43Å; D158-R161 PolarHBondContact O-N 3.44Å; E159-R161 VanDerWaalsContact C-N 3.27Å; E159-R161 PolarHBondContact O-N 2.86Å; R161-G164 PolarHBondContact O-N 3.15Å; R161-L165 PolarHBondContact O-N 3.1Å; R161-L165 VanDerWaalsContact O-N 3.08Å
162V93.9Very high92.2Very high0 Ų055.4 Ų55.40%030%0.297CS..Hα-helixtrans-63.1-43.5179.9176.60000110.8L133 I147 M148 L151 T154 D158 E159 G164 L165 I166L133-V162 HydrophobicContact CD1-CG1 3.84Å; L133-V162 HydrophobicContact CD2-CG1 4.42Å; I147-V162 HydrophobicContact CG2-CG1 4.25Å; M148-V162 HydrophobicContact SD-CB 4.32Å; M148-V162 HydrophobicContact SD-CG1 4.44Å; M148-V162 HydrophobicContact SD-CG2 4.32Å; L151-V162 HydrophobicContact CD2-CG1 4.14Å; L151-V162 HydrophobicContact CD2-CG2 3.94Å; T154-V162 HydrophobicContact CG2-CG2 4.06Å; D158-V162 PolarHBondContact O-N 2.84Å; E159-V162 PolarHBondContact O-N 2.68Å; V162-G164 VanDerWaalsContact C-N 3.34Å; V162-G164 PolarHBondContact O-N 2.79Å; V162-L165 WeakPolarHBondContact O-CA 3.39Å; V162-L165 WeakPolarHBondContact O-CB 3.26Å; V162-L165 PolarHBondContact O-N 3.01Å; V162-I166 HydrophobicContact CG1-CD1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.33Å; V162-I166 PolarHBondContact O-N 3.02Å
163R92.3Very high92.2Very high53 Ų5354 Ų5420%0.230%0.304CS..Hα-helixtrans-57.6-46.2172.8-75.2-179.5176.5-84.54.9112.3M144 E159 L165 I166 D167 Y181 E184M144-R163 HydrophobicContact CE-CG 3.69Å; M144-R163 HydrophobicContact SD-CG 4.4Å; E159-R163 HydrophobicContact CG-CG 4.3Å; E159-R163 WeakPolarHBondContact O-CB 3.46Å; E159-R163 WeakPolarHBondContact O-CG 3.49Å; E159-R163 PolarHBondContact O-N 2.83Å; E159-R163 IonicContact OE1-CZ 2.92Å; E159-R163 IonicContact OE1-NE 3.21Å; E159-R163 PolarHBondContact OE1-NE 3.3Å; E159-R163 IonicContact OE1-NH2 2.93Å; E159-R163 PolarHBondContact OE1-NH2 2.86Å; R163-L165 PolarHBondContact O-N 3.08Å; R163-I166 PolarHBondContact O-N 3.06Å; R163-I166 VanDerWaalsContact O-N 3.07Å; R163-D167 WeakPolarHBondContact O-CB 3.5Å; R163-D167 PolarHBondContact O-N 3.47Å; R163-Y181 HydrophobicContact CG-CE2 4.43Å; R163-Y181 PolarHBondContact O-OH 2.99Å; R163-E184 IonicContact CZ-OE2 3.97Å; R163-E184 IonicContact NH1-OE2 2.82Å; R163-E184 IonicContact NH2-OE2 2.95Å; R163-E184 PolarHBondContact NH2-OE2 3.19Å
164G93.8Very high92.3Very high27 Ų2757.3 Ų57.328%0.27832%0.316SS..Hα-helixtrans-59.3-29.5175.600000113.4T160 R161 V162 K168T160-G164 PolarHBondContact O-N 3.01Å; R161-G164 PolarHBondContact O-N 3.15Å; V162-G164 VanDerWaalsContact C-N 3.34Å; V162-G164 PolarHBondContact O-N 2.79Å; G164-K168 WeakPolarHBondContact O-CD 2.94Å; G164-K168 WeakPolarHBondContact O-CG 3.42Å; G164-K168 PolarHBondContact O-N 3.25Å
165L94.7Very high92.4Very high33 Ų3356.5 Ų56.517%0.17331%0.31CS..Hα-helixtrans-73.8-45.8171.7-66.2174.9000111.7L133 R161 V162 R163 D167 K168 L169L133-L165 HydrophobicContact CD2-CB 3.74Å; L133-L165 HydrophobicContact CD2-CD1 4.34Å; R161-L165 PolarHBondContact O-N 3.1Å; R161-L165 VanDerWaalsContact O-N 3.08Å; V162-L165 WeakPolarHBondContact O-CA 3.39Å; V162-L165 WeakPolarHBondContact O-CB 3.26Å; V162-L165 PolarHBondContact O-N 3.01Å; R163-L165 PolarHBondContact O-N 3.08Å; L165-D167 VanDerWaalsContact C-N 3.34Å; L165-D167 PolarHBondContact O-N 3.23Å; L165-K168 WeakPolarHBondContact O-CB 3.38Å; L165-K168 PolarHBondContact O-N 3.04Å; L165-L169 VanDerWaalsContact O-CG 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.38Å; L165-L169 PolarHBondContact O-N 3.37Å
166I95.1Very high92.6Very high0 Ų060.5 Ų60.50%033%0.329CS..Hα-helixtrans-58.6-46.5176.7-64.3170.3000110.4L133 Y137 M144 I147 V162 R163 K168 L169 I170 I175 Y181L133-I166 HydrophobicContact CD1-CD1 4.23Å; L133-I166 HydrophobicContact CD1-CG1 4.06Å; L133-I166 HydrophobicContact CD2-CG1 3.98Å; L133-I166 HydrophobicContact CG-CG1 4.25Å; Y137-I166 HydrophobicContact CD2-CD1 4.13Å; Y137-I166 HydrophobicContact CD2-CG1 4.41Å; Y137-I166 HydrophobicContact CD2-CG2 4.02Å; Y137-I166 HydrophobicContact CE2-CG2 3.69Å; M144-I166 HydrophobicContact CE-CD1 4.44Å; M144-I166 HydrophobicContact SD-CD1 3.65Å; I147-I166 HydrophobicContact CD1-CD1 4.16Å; V162-I166 HydrophobicContact CG1-CD1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.33Å; V162-I166 PolarHBondContact O-N 3.02Å; R163-I166 PolarHBondContact O-N 3.06Å; R163-I166 VanDerWaalsContact O-N 3.07Å; I166-K168 VanDerWaalsContact C-N 3.29Å; I166-K168 PolarHBondContact O-N 2.85Å; I166-L169 WeakPolarHBondContact O-CB 3.2Å; I166-L169 PolarHBondContact O-N 3.37Å; I166-I170 HydrophobicContact CG2-CD1 3.74Å; I166-I170 HydrophobicContact CG2-CG1 4.24Å; I166-I170 WeakPolarHBondContact O-CG1 3.34Å; I166-I170 PolarHBondContact O-N 2.91Å; I166-I175 HydrophobicContact CG2-CD1 4.05Å; I166-Y181 HydrophobicContact CB-CE2 4.28Å; I166-Y181 HydrophobicContact CD1-CD2 4.44Å; I166-Y181 HydrophobicContact CD1-CE2 3.88Å; I166-Y181 HydrophobicContact CG2-CD1 4.17Å; I166-Y181 HydrophobicContact CG2-CD2 4.28Å; I166-Y181 HydrophobicContact CG2-CE1 3.68Å; I166-Y181 HydrophobicContact CG2-CE2 3.81Å; I166-Y181 HydrophobicContact CG2-CG 4.45Å; I166-Y181 VanDerWaalsContact CG2-CZ 3.49Å
167D95.5Very high92.9Very high75 Ų7561.6 Ų61.640%0.40135%0.345SS..Hα-helixtrans-61.9-38.4-180-64.9-22.6000111.6R163 L165 S171 Y181R163-D167 WeakPolarHBondContact O-CB 3.5Å; R163-D167 PolarHBondContact O-N 3.47Å; L165-D167 VanDerWaalsContact C-N 3.34Å; L165-D167 PolarHBondContact O-N 3.23Å; D167-S171 VanDerWaalsContact O-CB 3.28Å; D167-S171 WeakPolarHBondContact O-CB 3.37Å; D167-S171 PolarHBondContact O-N 2.62Å; D167-S171 PolarHBondContact O-OG 2.94Å; D167-Y181 WeakPolarHBondContact OD1-CE1 3.26Å; D167-Y181 PolarHBondContact OD1-OH 2.93Å
168K95Very high93.2Very high146 Ų14660.5 Ų60.564%0.63534%0.341SS*.Hα-helixtrans-65-42172.3-74.3170.5-174.5179.90111.7G164 L165 I166 S171 S172G164-K168 WeakPolarHBondContact O-CD 2.94Å; G164-K168 WeakPolarHBondContact O-CG 3.42Å; G164-K168 PolarHBondContact O-N 3.25Å; L165-K168 WeakPolarHBondContact O-CB 3.38Å; L165-K168 PolarHBondContact O-N 3.04Å; I166-K168 VanDerWaalsContact C-N 3.29Å; I166-K168 PolarHBondContact O-N 2.85Å; K168-S171 PolarHBondContact O-N 3.07Å; K168-S172 WeakPolarHBondContact O-CB 3.42Å; K168-S172 PolarHBondContact O-N 3.38Å; K168-S172 PolarHBondContact O-OG 2.9Å
169L95.5Very high93.5Very high13 Ų1363.5 Ų63.57%0.06836%0.361CS..Hα-helixtrans-65.9-42.6178.9-70.2171.2000111.6L133 I134 L165 I166 S172 G173 K174 I175L133-L169 HydrophobicContact CD2-CD1 4.09Å; L133-L169 HydrophobicContact CG-CD1 4.45Å; I134-L169 HydrophobicContact CD1-CD1 4.43Å; I134-L169 HydrophobicContact CD1-CD2 4.19Å; I134-L169 HydrophobicContact CG1-CD1 3.87Å; I134-L169 HydrophobicContact CG1-CD2 4.47Å; L165-L169 VanDerWaalsContact O-CG 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.38Å; L165-L169 PolarHBondContact O-N 3.37Å; I166-L169 WeakPolarHBondContact O-CB 3.2Å; I166-L169 PolarHBondContact O-N 3.37Å; L169-S172 WeakPolarHBondContact CA-OG 3.17Å; L169-S172 PolarHBondContact O-N 2.95Å; L169-S172 PolarHBondContact O-OG 3.39Å; L169-G173 PolarHBondContact O-N 2.71Å; L169-G173 VanDerWaalsContact O-N 3.14Å; L169-K174 HydrophobicContact CD2-CB 4.15Å; L169-K174 HydrophobicContact CD2-CD 3.69Å; L169-K174 PolarHBondContact O-N 2.96Å; L169-I175 HydrophobicContact CB-CD1 3.55Å; L169-I175 HydrophobicContact CB-CG1 3.76Å; L169-I175 HydrophobicContact CD1-CD1 4.15Å
170I94.7Very high93.6Very high44 Ų4468 Ų6823%0.22638%0.38CS..Hα-helixtrans-61-47.8172.6-67.3170.3000110I166 S172 G173 I175 A177 Y181I166-I170 HydrophobicContact CG2-CD1 3.74Å; I166-I170 HydrophobicContact CG2-CG1 4.24Å; I166-I170 WeakPolarHBondContact O-CG1 3.34Å; I166-I170 PolarHBondContact O-N 2.91Å; I170-S172 VanDerWaalsContact C-N 3.27Å; I170-S172 PolarHBondContact O-N 3.09Å; I170-G173 PolarHBondContact O-N 2.87Å; I170-I175 HydrophobicContact CG1-CD1 4.05Å; I170-I175 HydrophobicContact CG1-CG1 3.77Å; I170-A177 HydrophobicContact CD1-CB 4.28Å; I170-A177 HydrophobicContact CG2-CB 4.03Å; I170-Y181 HydrophobicContact CD1-CD1 3.74Å; I170-Y181 HydrophobicContact CD1-CE1 3.68Å
171S95.4Very high93.7Very high107 Ų10763 Ų6375%0.74835%0.348SS*.Hα-helixtrans-62.6-34.3179.2-58.50000112.5D167 K168 G173D167-S171 VanDerWaalsContact O-CB 3.28Å; D167-S171 WeakPolarHBondContact O-CB 3.37Å; D167-S171 PolarHBondContact O-N 2.62Å; D167-S171 PolarHBondContact O-OG 2.94Å; K168-S171 PolarHBondContact O-N 3.07Å; S171-G173 VanDerWaalsContact C-N 3.26Å; S171-G173 PolarHBondContact O-N 3.29Å
172S94.7Very high93.6Very high72 Ų7262.8 Ų62.850%0.50336%0.356SS..THydrogen-bonded Turntrans-76.5-10.6175.171.50000114K168 L169 I170 K174K168-S172 WeakPolarHBondContact O-CB 3.42Å; K168-S172 PolarHBondContact O-N 3.38Å; K168-S172 PolarHBondContact O-OG 2.9Å; L169-S172 WeakPolarHBondContact CA-OG 3.17Å; L169-S172 PolarHBondContact O-N 2.95Å; L169-S172 PolarHBondContact O-OG 3.39Å; I170-S172 VanDerWaalsContact C-N 3.27Å; I170-S172 PolarHBondContact O-N 3.09Å; S172-K174 VanDerWaalsContact C-N 3.31Å; S172-K174 WeakPolarHBondContact OG-CG 3.44Å
173G92.4Very high93.4Very high60 Ų6070.1 Ų70.162%0.61939%0.39SS*.THydrogen-bonded Turntrans74.315.1-175.600000114.8L169 I170 S171L169-G173 PolarHBondContact O-N 2.71Å; L169-G173 VanDerWaalsContact O-N 3.14Å; I170-G173 PolarHBondContact O-N 2.87Å; S171-G173 VanDerWaalsContact C-N 3.26Å; S171-G173 PolarHBondContact O-N 3.29Å
174K92Very high93.3Very high132 Ų13269.2 Ų69.257%0.57439%0.387SS*.SBendtrans-74.3-28176.8-76.8-174.4176.3-169.70113L169 S172L169-K174 HydrophobicContact CD2-CB 4.15Å; L169-K174 HydrophobicContact CD2-CD 3.69Å; L169-K174 PolarHBondContact O-N 2.96Å; S172-K174 VanDerWaalsContact C-N 3.31Å; S172-K174 WeakPolarHBondContact OG-CG 3.44Å
175I92.7Very high93.1Very high8 Ų874.7 Ų74.74%0.04140%0.404CS..SBendtrans-137.1149.2178.562.7-176.7000110.5I134 Y137 I166 L169 I170I134-I175 HydrophobicContact CB-CG2 4.18Å; I134-I175 HydrophobicContact CG1-CG2 3.74Å; I134-I175 HydrophobicContact CG2-CG2 3.77Å; Y137-I175 HydrophobicContact CD1-CB 4.17Å; Y137-I175 HydrophobicContact CD1-CD1 3.8Å; Y137-I175 HydrophobicContact CD1-CG1 4.39Å; Y137-I175 HydrophobicContact CD1-CG2 4.49Å; Y137-I175 HydrophobicContact CD2-CD1 4.39Å; Y137-I175 HydrophobicContact CE1-CB 4.11Å; Y137-I175 HydrophobicContact CE1-CD1 3.85Å; Y137-I175 HydrophobicContact CE1-CG1 4.17Å; Y137-I175 HydrophobicContact CE2-CD1 4.46Å; Y137-I175 HydrophobicContact CG-CD1 4.08Å; I166-I175 HydrophobicContact CG2-CD1 4.05Å; L169-I175 HydrophobicContact CB-CD1 3.55Å; L169-I175 HydrophobicContact CB-CG1 3.76Å; L169-I175 HydrophobicContact CD1-CD1 4.15Å; I170-I175 HydrophobicContact CG1-CD1 4.05Å; I170-I175 HydrophobicContact CG1-CG1 3.77Å
176D92.9Very high92.8Very high120 Ų12078.2 Ų78.264%0.64243%0.429SS*.  trans-80.1144.4177.7-67.5-36.7000111.9Y137 Y178Y137-D176 WeakPolarHBondContact CE1-O 3.42Å; Y137-D176 PolarHBondContact OH-O 2.79Å; D176-Y178 PolarHBondContact O-N 3.19Å
177A93.3Very high92.6Very high55 Ų5585.3 Ų85.346%0.45546%0.461SS..  trans-75.994.1175.700000110.6I170 T182I170-A177 HydrophobicContact CD1-CB 4.28Å; I170-A177 HydrophobicContact CG2-CB 4.03Å; A177-T182 HydrophobicContact CB-CG2 3.85Å
178Y94.2Very high92.3Very high73 Ų7384.6 Ų84.629%0.28646%0.455SS..  trans-68.1144.7175.3-70.4-61.7000111.1Y137 K141 D176 K180 Y181 T182Y137-Y178 AromaticContact CD1-CD2 4Å; Y137-Y178 HydrophobicContact CD1-CD2 4Å; Y137-Y178 HydrophobicContact CD1-CE2 4Å; Y137-Y178 AromaticContact CE1-CD2 3.31Å; Y137-Y178 HydrophobicContact CE1-CD2 3.31Å; Y137-Y178 AromaticContact CE1-CE2 3.63Å; Y137-Y178 HydrophobicContact CE1-CE2 3.63Å; Y137-Y178 HydrophobicContact CE1-CG 4.44Å; Y137-Y178 AromaticContact CZ-CD2 3.7Å; Y137-Y178 PolarHBondContact OH-N 3.41Å; K141-Y178 HydrophobicContact CB-CD1 4.4Å; K141-Y178 HydrophobicContact CB-CD2 4.32Å; K141-Y178 HydrophobicContact CB-CG 4.24Å; K141-Y178 VanDerWaalsContact O-CB 3.22Å; K141-Y178 WeakPolarHBondContact O-CB 3.44Å; D176-Y178 PolarHBondContact O-N 3.19Å; Y178-K180 PolarHBondContact O-N 3.36Å; Y178-Y181 PolarHBondContact O-N 3.17Å; Y178-Y181 VanDerWaalsContact O-N 3.07Å; Y178-T182 PolarHBondContact O-N 2.99Å; Y178-T182 VanDerWaalsContact O-N 3.11Å; Y178-T182 PolarHBondContact O-OG1 3.21Å; Y178-T182 VanDerWaalsContact O-OG1 3.11Å
179T91.9Very high91.9Very high103 Ų10379.3 Ų79.363%0.63244%0.438SS*.Hα-helixtrans-59.5-33.4179.6540000112.7Y181 T182 H183T179-Y181 VanDerWaalsContact C-N 3.28Å; T179-Y181 PolarHBondContact O-N 3.15Å; T179-T182 WeakPolarHBondContact CA-OG1 3.38Å; T179-T182 PolarHBondContact O-OG1 3.44Å; T179-H183 WeakPolarHBondContact O-CA 3.14Å; T179-H183 VanDerWaalsContact O-CB 3.31Å; T179-H183 WeakPolarHBondContact O-CB 3.19Å; T179-H183 PolarHBondContact O-N 2.99Å
180K91.6Very high91.6Very high109 Ų10981.6 Ų81.647%0.47446%0.459SS..Hα-helixtrans-63.8-33176.9-68-173.1175-173.20113.3K141 D143 Y178K141-K180 WeakPolarHBondContact O-CB 3.42Å; D143-K180 HydrophobicContact CB-CD 4.31Å; Y178-K180 PolarHBondContact O-N 3.36Å
181Y93.3Very high91.5Very high15 Ų1584.4 Ų84.46%0.05947%0.467CS..Hα-helixtrans-79.2-50.3177.7-179.8-104.2000110.9Y137 G142 M144 R163 I166 D167 I170 Y178 T179Y137-Y181 HydrophobicContact CE2-CD2 4.21Å; Y137-Y181 HydrophobicContact CE2-CG 4.01Å; G142-Y181 WeakPolarHBondContact O-CA 3.49Å; G142-Y181 WeakPolarHBondContact O-CB 3.3Å; M144-Y181 HydrophobicContact CG-CD2 3.89Å; M144-Y181 HydrophobicContact CG-CE2 4.05Å; M144-Y181 HydrophobicContact SD-CD2 3.8Å; M144-Y181 HydrophobicContact SD-CE2 3.6Å; M144-Y181 VanDerWaalsContact SD-CE2 3.6Å; R163-Y181 HydrophobicContact CG-CE2 4.43Å; R163-Y181 PolarHBondContact O-OH 2.99Å; I166-Y181 HydrophobicContact CB-CE2 4.28Å; I166-Y181 HydrophobicContact CD1-CD2 4.44Å; I166-Y181 HydrophobicContact CD1-CE2 3.88Å; I166-Y181 HydrophobicContact CG2-CD1 4.17Å; I166-Y181 HydrophobicContact CG2-CD2 4.28Å; I166-Y181 HydrophobicContact CG2-CE1 3.68Å; I166-Y181 HydrophobicContact CG2-CE2 3.81Å; I166-Y181 HydrophobicContact CG2-CG 4.45Å; I166-Y181 VanDerWaalsContact CG2-CZ 3.49Å; D167-Y181 WeakPolarHBondContact OD1-CE1 3.26Å; D167-Y181 PolarHBondContact OD1-OH 2.93Å; I170-Y181 HydrophobicContact CD1-CD1 3.74Å; I170-Y181 HydrophobicContact CD1-CE1 3.68Å; Y178-Y181 PolarHBondContact O-N 3.17Å; Y178-Y181 VanDerWaalsContact O-N 3.07Å; T179-Y181 VanDerWaalsContact C-N 3.28Å; T179-Y181 PolarHBondContact O-N 3.15Å
182T91.3Very high91.2Very high74 Ų7479.3 Ų79.345%0.45443%0.431SS..Hα-helixtrans-72.2-39.3-174.950.60000113.6A177 Y178 T179A177-T182 HydrophobicContact CB-CG2 3.85Å; Y178-T182 PolarHBondContact O-N 2.99Å; Y178-T182 VanDerWaalsContact O-N 3.11Å; Y178-T182 PolarHBondContact O-OG1 3.21Å; Y178-T182 VanDerWaalsContact O-OG1 3.11Å; T179-T182 WeakPolarHBondContact CA-OG1 3.38Å; T179-T182 PolarHBondContact O-OG1 3.44Å
183H89.6Confident91Very high154 Ų15478.8 Ų78.871%0.71343%0.431SS*.THydrogen-bonded Turntrans-104.236.1-179.2-6074.3000111.1T179 K185T179-H183 WeakPolarHBondContact O-CA 3.14Å; T179-H183 VanDerWaalsContact O-CB 3.31Å; T179-H183 WeakPolarHBondContact O-CB 3.19Å; T179-H183 PolarHBondContact O-N 2.99Å; H183-K185 PolarHBondContact O-N 2.91Å
184E89.8Confident90.9Very high33 Ų3382.2 Ų82.215%0.15443%0.429CS..  trans-63.6133.1177.3-173.9175.4-155.100111R163 K188 R192R163-E184 IonicContact CZ-OE2 3.97Å; R163-E184 IonicContact NH1-OE2 2.82Å; R163-E184 IonicContact NH2-OE2 2.95Å; R163-E184 PolarHBondContact NH2-OE2 3.19Å; E184-K188 HydrophobicContact CG-CB 4.16Å; E184-K188 HydrophobicContact CG-CD 4.32Å; E184-K188 WeakPolarHBondContact OE1-CB 3.23Å; E184-R192 IonicContact OE1-CZ 3.59Å; E184-R192 IonicContact OE1-NH1 3.6Å; E184-R192 PolarHBondContact OE1-NH1 3.26Å; E184-R192 IonicContact OE1-NH2 3.58Å; E184-R192 PolarHBondContact OE1-NH2 2.97Å; E184-R192 IonicContact OE2-NH2 2.94Å; E184-R192 PolarHBondContact OE2-NH2 2.86Å
185K90.1Very high90.8Very high143 Ų14380.2 Ų80.262%0.62242%0.418SS*.  trans-62.2131.9174.5-66.7-173.3177.5-1740110.4H183 E187 K188H183-K185 PolarHBondContact O-N 2.91Å; K185-E187 PolarHBondContact O-N 2.99Å; K185-E187 VanDerWaalsContact O-N 3.08Å; K185-K188 WeakPolarHBondContact O-CB 2.75Å; K185-K188 PolarHBondContact O-N 3.44Å
186P88Confident90.7Very high107 Ų10780.4 Ų80.470%0.69542%0.421SS*.Hα-helixtrans-59.6-29.1-177.723.7-34.2000112.9K188 A189 A190P186-K188 VanDerWaalsContact C-N 3.31Å; P186-K188 PolarHBondContact O-N 2.69Å; P186-A189 PolarHBondContact O-N 2.89Å; P186-A190 WeakPolarHBondContact O-CB 3.19Å; P186-A190 PolarHBondContact O-N 3.33Å
187E90.7Very high90.6Very high148 Ų14878.8 Ų78.869%0.69241%0.412SS*.Hα-helixtrans-59.8-36.6175.6-63.4176.5171.500113.3K185 R191K185-E187 PolarHBondContact O-N 2.99Å; K185-E187 VanDerWaalsContact O-N 3.08Å; E187-R191 WeakPolarHBondContact O-CB 3.28Å; E187-R191 PolarHBondContact O-N 3.37Å
188K89.1Confident90.5Very high61 Ų6180.6 Ų80.627%0.26541%0.411SS..Hα-helixtrans-67.7-47.8178.3-76.3-169.9158.8-137.90110.8D143 D145 E184 K185 P186 A190 R191 R192D143-K188 IonicContact OD1-NZ 2.74Å; D143-K188 IonicContact OD2-NZ 3.13Å; D145-K188 IonicContact OD2-NZ 3.91Å; D145-K188 PolarHBondContact OD2-NZ 2.94Å; E184-K188 HydrophobicContact CG-CB 4.16Å; E184-K188 HydrophobicContact CG-CD 4.32Å; E184-K188 WeakPolarHBondContact OE1-CB 3.23Å; K185-K188 WeakPolarHBondContact O-CB 2.75Å; K185-K188 PolarHBondContact O-N 3.44Å; P186-K188 VanDerWaalsContact C-N 3.31Å; P186-K188 PolarHBondContact O-N 2.69Å; K188-A190 VanDerWaalsContact C-N 3.33Å; K188-A190 PolarHBondContact O-N 3.41Å; K188-R191 WeakPolarHBondContact O-CB 3.19Å; K188-R191 PolarHBondContact O-N 3.43Å; K188-R192 PolarHBondContact O-N 3.01Å; K188-R192 VanDerWaalsContact O-N 3.08Å
189A86.8Confident90.2Very high34 Ų3480.6 Ų80.628%0.28141%0.413SS..Hα-helixtrans-60.3-43.8175.800000111.2P186 R191 R192 A193P186-A189 PolarHBondContact O-N 2.89Å; A189-R191 VanDerWaalsContact C-N 3.33Å; A189-R191 PolarHBondContact O-N 3.33Å; A189-R192 PolarHBondContact O-N 3.45Å; A189-A193 PolarHBondContact O-N 2.96Å
190A89.7Confident89.9Confident61 Ų6180.4 Ų80.450%0.50441%0.405SS..Hα-helixtrans-61.5-39.4176.200000112.5P186 K188 A193 K194P186-A190 WeakPolarHBondContact O-CB 3.19Å; P186-A190 PolarHBondContact O-N 3.33Å; K188-A190 VanDerWaalsContact C-N 3.33Å; K188-A190 PolarHBondContact O-N 3.41Å; A190-A193 PolarHBondContact O-N 2.72Å; A190-K194 WeakPolarHBondContact O-CB 3.46Å; A190-K194 PolarHBondContact O-N 2.51Å
191R91Very high89.9Confident104 Ų10481.2 Ų81.239%0.39241%0.409SS..Hα-helixtrans-63.2-41.7175.8-176.8-177.564.4-145.6-1.6111.9D145 E187 K188 A189 K194 R195D145-R191 IonicContact OD1-NH2 2.62Å; D145-R191 PolarHBondContact OD1-NH2 3.41Å; D145-R191 IonicContact OD2-NH2 2.64Å; D145-R191 PolarHBondContact OD2-NH2 2.7Å; E187-R191 WeakPolarHBondContact O-CB 3.28Å; E187-R191 PolarHBondContact O-N 3.37Å; K188-R191 WeakPolarHBondContact O-CB 3.19Å; K188-R191 PolarHBondContact O-N 3.43Å; A189-R191 VanDerWaalsContact C-N 3.33Å; A189-R191 PolarHBondContact O-N 3.33Å; R191-K194 WeakPolarHBondContact O-CB 3.16Å; R191-K194 PolarHBondContact O-N 3.35Å; R191-R195 WeakPolarHBondContact O-CG 3.07Å; R191-R195 PolarHBondContact O-N 3.42Å
192R90.4Very high89.7Confident0 Ų085.7 Ų85.70%043%0.433CS..Hα-helixtrans-69.9-39.1176.8-70.3-167.6-60.8-95.8-5.2112.5D145 Y156 E159 E184 K188 A189 K194 R195 A196D145-R192 VanDerWaalsContact CG-NH1 3.26Å; D145-R192 WeakPolarHBondContact OD1-CD 3.24Å; D145-R192 IonicContact OD1-CZ 3.34Å; D145-R192 IonicContact OD1-NE 3.69Å; D145-R192 IonicContact OD1-NH1 2.97Å; D145-R192 PolarHBondContact OD1-NH1 3.49Å; D145-R192 IonicContact OD2-NH1 2.79Å; Y156-R192 HydrophobicContact CD1-CB 3.89Å; Y156-R192 HydrophobicContact CD1-CG 3.88Å; Y156-R192 HydrophobicContact CE1-CB 4.3Å; Y156-R192 HydrophobicContact CE1-CG 3.77Å; E159-R192 VanDerWaalsContact CD-NE 3.33Å; E159-R192 IonicContact OE1-CZ 2.68Å; E159-R192 IonicContact OE1-NE 3.49Å; E159-R192 PolarHBondContact OE1-NE 2.86Å; E159-R192 VanDerWaalsContact OE1-NE 3.13Å; E159-R192 IonicContact OE1-NH2 3.72Å; E159-R192 PolarHBondContact OE1-NH2 2.81Å; E159-R192 WeakPolarHBondContact OE2-CB 3.46Å; E159-R192 WeakPolarHBondContact OE2-CD 3.26Å; E159-R192 IonicContact OE2-NE 3.16Å; E159-R192 PolarHBondContact OE2-NE 3.05Å; E184-R192 IonicContact OE1-CZ 3.59Å; E184-R192 IonicContact OE1-NH1 3.6Å; E184-R192 PolarHBondContact OE1-NH1 3.26Å; E184-R192 IonicContact OE1-NH2 3.58Å; E184-R192 PolarHBondContact OE1-NH2 2.97Å; E184-R192 IonicContact OE2-NH2 2.94Å; E184-R192 PolarHBondContact OE2-NH2 2.86Å; K188-R192 PolarHBondContact O-N 3.01Å; K188-R192 VanDerWaalsContact O-N 3.08Å; A189-R192 PolarHBondContact O-N 3.45Å; R192-K194 VanDerWaalsContact C-N 3.28Å; R192-K194 PolarHBondContact O-N 2.97Å; R192-R195 WeakPolarHBondContact O-CB 3.28Å; R192-R195 PolarHBondContact O-N 2.95Å; R192-R195 VanDerWaalsContact O-N 3.14Å; R192-A196 PolarHBondContact O-N 2.68Å
193A89.6Confident89.4Confident60 Ų6087.7 Ų87.750%0.49644%0.436SS..Hα-helixtrans-59.5-39.1171.100000112.2A189 A190 A196 L197A189-A193 PolarHBondContact O-N 2.96Å; A190-A193 PolarHBondContact O-N 2.72Å; A193-A196 PolarHBondContact O-N 3.2Å; A193-L197 PolarHBondContact O-N 3.25Å; A193-L197 VanDerWaalsContact O-N 3.11Å
194K91.6Very high89.4Confident132 Ų13283.2 Ų83.257%0.57443%0.425SS*.Hα-helixtrans-63.7-44173.7-168.4-171.2-179-157.70112A190 R191 R192 L197 E198A190-K194 WeakPolarHBondContact O-CB 3.46Å; A190-K194 PolarHBondContact O-N 2.51Å; R191-K194 WeakPolarHBondContact O-CB 3.16Å; R191-K194 PolarHBondContact O-N 3.35Å; R192-K194 VanDerWaalsContact C-N 3.28Å; R192-K194 PolarHBondContact O-N 2.97Å; K194-L197 PolarHBondContact O-N 3.42Å; K194-E198 WeakPolarHBondContact CE-OE1 3.47Å; K194-E198 IonicContact NZ-OE1 2.7Å; K194-E198 WeakPolarHBondContact O-CG 3.33Å; K194-E198 PolarHBondContact O-N 3.38Å
195R90Very high89.4Confident90 Ų9088.3 Ų88.334%0.3445%0.447SS..Hα-helixtrans-60-44.4175.4-72.8178.5178.5-179.6-2111.7Y156 R191 R192 L197 E198 E199Y156-R195 HydrophobicContact CD2-CB 4.17Å; Y156-R195 HydrophobicContact CG-CB 4.2Å; Y156-R195 PolarHBondContact OH-NH1 3.37Å; R191-R195 WeakPolarHBondContact O-CG 3.07Å; R191-R195 PolarHBondContact O-N 3.42Å; R192-R195 WeakPolarHBondContact O-CB 3.28Å; R192-R195 PolarHBondContact O-N 2.95Å; R192-R195 VanDerWaalsContact O-N 3.14Å; R195-L197 VanDerWaalsContact C-N 3.32Å; R195-L197 PolarHBondContact O-N 3.2Å; R195-E198 PolarHBondContact O-N 3.08Å; R195-E199 PolarHBondContact O-N 3.45Å
196A89.9Confident89.3Confident13 Ų1385.1 Ų85.111%0.10743%0.434CS..Hα-helixtrans-55.7-48.2175.200000111.3R157 R192 A193 E198 E199 E200R157-A196 HydrophobicContact CG-CB 4.28Å; R192-A196 PolarHBondContact O-N 2.68Å; A193-A196 PolarHBondContact O-N 3.2Å; A196-E198 VanDerWaalsContact C-N 3.35Å; A196-E198 PolarHBondContact O-N 3Å; A196-E199 WeakPolarHBondContact O-CB 3.5Å; A196-E199 PolarHBondContact O-N 3.47Å; A196-E200 WeakPolarHBondContact O-CG 3.35Å; A196-E200 PolarHBondContact O-N 3.49Å
197L91Very high89.1Confident86 Ų8683.4 Ų83.445%0.4542%0.417SS..Hα-helixtrans-64.7-35.4178.7-172.5141.7000113.2A193 K194 R195 E200 K201A193-L197 PolarHBondContact O-N 3.25Å; A193-L197 VanDerWaalsContact O-N 3.11Å; K194-L197 PolarHBondContact O-N 3.42Å; R195-L197 VanDerWaalsContact C-N 3.32Å; R195-L197 PolarHBondContact O-N 3.2Å; L197-E200 PolarHBondContact O-N 3.01Å; L197-K201 HydrophobicContact CD2-CD 3.94Å; L197-K201 WeakPolarHBondContact O-CG 3.49Å; L197-K201 PolarHBondContact O-N 3.21Å; L197-K201 VanDerWaalsContact O-N 3.15Å
198E90.2Very high88.7Confident93 Ų9380.6 Ų80.644%0.43541%0.407SS..Hα-helixtrans-67.7-42.1173.9-74.2173.4-176.100111.9K194 R195 A196 E200 K201 L202K194-E198 WeakPolarHBondContact CE-OE1 3.47Å; K194-E198 IonicContact NZ-OE1 2.7Å; K194-E198 WeakPolarHBondContact O-CG 3.33Å; K194-E198 PolarHBondContact O-N 3.38Å; R195-E198 PolarHBondContact O-N 3.08Å; A196-E198 VanDerWaalsContact C-N 3.35Å; A196-E198 PolarHBondContact O-N 3Å; E198-E200 VanDerWaalsContact C-N 3.31Å; E198-E200 PolarHBondContact O-N 2.82Å; E198-K201 PolarHBondContact O-N 2.9Å; E198-L202 WeakPolarHBondContact O-CB 3.35Å; E198-L202 PolarHBondContact O-N 2.98Å
199E88.7Confident88.5Confident72 Ų7283.3 Ų83.334%0.33642%0.419SS..Hα-helixtrans-60.9-38172.8-74-178.7-172.200111.9S155 Y156 R157 R195 A196 L202 F203S155-E199 PolarHBondContact OG-OE2 2.99Å; Y156-E199 WeakPolarHBondContact CD2-OE1 3.44Å; R157-E199 VanDerWaalsContact NH2-C 3.29Å; R157-E199 PolarHBondContact NH2-O 3.23Å; R157-E199 VanDerWaalsContact NH2-O 3.08Å; R195-E199 PolarHBondContact O-N 3.45Å; A196-E199 WeakPolarHBondContact O-CB 3.5Å; A196-E199 PolarHBondContact O-N 3.47Å; E199-L202 PolarHBondContact O-N 3.29Å; E199-F203 WeakPolarHBondContact O-CB 3.41Å; E199-F203 PolarHBondContact O-N 3.38Å
200E86Confident88Confident100 Ų10087.6 Ų87.647%0.46743%0.431SS..Hα-helixtrans-59.9-49174.1-51.8-136.3120.500112R157 A196 L197 E198 L202 F203 A204R157-E200 VanDerWaalsContact CZ-CG 3.48Å; R157-E200 IonicContact CZ-OE1 2.76Å; R157-E200 IonicContact NE-OE1 3.6Å; R157-E200 VanDerWaalsContact NH1-CD 3.34Å; R157-E200 VanDerWaalsContact NH1-CG 3.27Å; R157-E200 IonicContact NH1-OE1 2.9Å; R157-E200 PolarHBondContact NH1-OE1 2.98Å; A196-E200 WeakPolarHBondContact O-CG 3.35Å; A196-E200 PolarHBondContact O-N 3.49Å; L197-E200 PolarHBondContact O-N 3.01Å; E198-E200 VanDerWaalsContact C-N 3.31Å; E198-E200 PolarHBondContact O-N 2.82Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 3.03Å; E200-F203 PolarHBondContact O-N 3.34Å; E200-A204 WeakPolarHBondContact O-CB 3.42Å; E200-A204 PolarHBondContact O-N 3.16Å
201K91.6Very high87.1Confident125 Ų12589 Ų8954%0.54343%0.43SS..Hα-helixtrans-62.8-40.4178-72.6173.3176.5174.30111.7L197 E198 K205L197-K201 HydrophobicContact CD2-CD 3.94Å; L197-K201 WeakPolarHBondContact O-CG 3.49Å; L197-K201 PolarHBondContact O-N 3.21Å; L197-K201 VanDerWaalsContact O-N 3.15Å; E198-K201 PolarHBondContact O-N 2.9Å; K201-K205 WeakPolarHBondContact O-CG 3.21Å; K201-K205 PolarHBondContact O-N 3.08Å; K201-K205 VanDerWaalsContact O-N 3.09Å
202L88.3Confident85.9Confident110 Ų11090.6 Ų90.658%0.57644%0.44SS*.Hα-helixtrans-65.1-48.2178.2-168.479.5000110.7E198 E199 E200 A204 K205 E206E198-L202 WeakPolarHBondContact O-CB 3.35Å; E198-L202 PolarHBondContact O-N 2.98Å; E199-L202 PolarHBondContact O-N 3.29Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 3.03Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.14Å; L202-K205 WeakPolarHBondContact O-CB 3.49Å; L202-K205 PolarHBondContact O-N 3.15Å; L202-K205 VanDerWaalsContact O-N 3.14Å; L202-E206 WeakPolarHBondContact O-CG 3.18Å; L202-E206 PolarHBondContact O-N 3.01Å
203F85.7Confident84.2Confident115 Ų11598.8 Ų98.850%0.50448%0.475SS..Hα-helixtrans-59.2-44178-175.6-98.7000111.8E199 E200 K205 E206 Q207E199-F203 WeakPolarHBondContact O-CB 3.41Å; E199-F203 PolarHBondContact O-N 3.38Å; E200-F203 PolarHBondContact O-N 3.34Å; F203-K205 VanDerWaalsContact C-N 3.32Å; F203-K205 PolarHBondContact O-N 2.96Å; F203-E206 PolarHBondContact O-N 2.95Å; F203-Q207 HydrophobicContact CD1-CG 4.06Å; F203-Q207 HydrophobicContact CE1-CG 3.74Å; F203-Q207 HydrophobicContact CE2-CG 4.48Å; F203-Q207 HydrophobicContact CZ-CG 3.99Å; F203-Q207 WeakPolarHBondContact O-CG 3.25Å; F203-Q207 PolarHBondContact O-N 3.16Å
204A88.5Confident82.5Confident60 Ų60102.6 Ų102.650%0.49648%0.483SS..Hα-helixtrans-60.4-40.3176.100000112.5E200 L202 N208E200-A204 WeakPolarHBondContact O-CB 3.42Å; E200-A204 PolarHBondContact O-N 3.16Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.14Å; A204-N208 PolarHBondContact O-N 3.18Å; A204-N208 VanDerWaalsContact O-N 3.1Å
205K90.9Very high80.4Confident140 Ų140102.4 Ų102.461%0.60948%0.482SS*.Hα-helixtrans-64.6-43.8174.6-74.3175.1-179.2179.30111.9K201 L202 F203 N208 K209K201-K205 WeakPolarHBondContact O-CG 3.21Å; K201-K205 PolarHBondContact O-N 3.08Å; K201-K205 VanDerWaalsContact O-N 3.09Å; L202-K205 WeakPolarHBondContact O-CB 3.49Å; L202-K205 PolarHBondContact O-N 3.15Å; L202-K205 VanDerWaalsContact O-N 3.14Å; F203-K205 VanDerWaalsContact C-N 3.32Å; F203-K205 PolarHBondContact O-N 2.96Å; K205-N208 PolarHBondContact O-N 3.47Å; K205-K209 WeakPolarHBondContact O-CG 3.44Å; K205-K209 PolarHBondContact O-N 3.33Å
206E87.2Confident78.5Confident76 Ų76104.1 Ų104.136%0.35550%0.502SS..Hα-helixtrans-65-41.2179.3-72.7-59122.400112.1L202 F203 N208 K209 K210L202-E206 WeakPolarHBondContact O-CG 3.18Å; L202-E206 PolarHBondContact O-N 3.01Å; F203-E206 PolarHBondContact O-N 2.95Å; E206-N208 VanDerWaalsContact C-N 3.35Å; E206-N208 PolarHBondContact O-N 3.08Å; E206-K209 PolarHBondContact O-N 3.5Å; E206-K209 IonicContact OE1-NZ 3.01Å; E206-K209 PolarHBondContact OE1-NZ 2.79Å; E206-K210 PolarHBondContact O-N 3.19Å
207Q83.8Confident76.3Confident71 Ų71109.4 Ų109.433%0.33253%0.529SS..Hα-helixtrans-62.4-41.2173.7-67.9-63.5-7.800111.9F203 K209 K210 N211F203-Q207 HydrophobicContact CD1-CG 4.06Å; F203-Q207 HydrophobicContact CE1-CG 3.74Å; F203-Q207 HydrophobicContact CE2-CG 4.48Å; F203-Q207 HydrophobicContact CZ-CG 3.99Å; F203-Q207 WeakPolarHBondContact O-CG 3.25Å; F203-Q207 PolarHBondContact O-N 3.16Å; Q207-K209 VanDerWaalsContact C-N 3.35Å; Q207-K209 PolarHBondContact O-N 3.38Å; Q207-K210 PolarHBondContact O-N 2.89Å; Q207-N211 WeakPolarHBondContact O-CB 3.43Å; Q207-N211 VanDerWaalsContact O-CG 3.31Å; Q207-N211 PolarHBondContact O-N 2.94Å
208N83.8Confident73.9Confident90 Ų90111.4 Ų111.448%0.48154%0.544SS..Hα-helixtrans-64.2-38.2175.3-166.51.7000112.1A204 K205 E206 N211 K212A204-N208 PolarHBondContact O-N 3.18Å; A204-N208 VanDerWaalsContact O-N 3.1Å; K205-N208 PolarHBondContact O-N 3.47Å; E206-N208 VanDerWaalsContact C-N 3.35Å; E206-N208 PolarHBondContact O-N 3.08Å; N208-N211 PolarHBondContact O-N 3.35Å; N208-K212 WeakPolarHBondContact O-CB 3.26Å; N208-K212 WeakPolarHBondContact O-CG 3.41Å; N208-K212 PolarHBondContact O-N 2.96Å
209K83.7Confident71.6Confident118 Ų118113.3 Ų113.351%0.51356%0.557SS.*Hα-helixtrans-64.5-42.5173.8-71.9177-171.4167.80112.2K205 E206 Q207 K212 K213K205-K209 WeakPolarHBondContact O-CG 3.44Å; K205-K209 PolarHBondContact O-N 3.33Å; E206-K209 PolarHBondContact O-N 3.5Å; E206-K209 IonicContact OE1-NZ 3.01Å; E206-K209 PolarHBondContact OE1-NZ 2.79Å; Q207-K209 VanDerWaalsContact C-N 3.35Å; Q207-K209 PolarHBondContact O-N 3.38Å; K209-K212 PolarHBondContact O-N 3.1Å; K209-K213 PolarHBondContact O-N 3.47Å
210K75.6Confident69.7Low123 Ų123118.9 Ų118.954%0.53558%0.584SS.*Hα-helixtrans-62.7-46.1176.1-74.2-177.3179.6-178.70111.2E206 Q207 K212 K213 Q214E206-K210 PolarHBondContact O-N 3.19Å; Q207-K210 PolarHBondContact O-N 2.89Å; K210-K212 VanDerWaalsContact C-N 3.33Å; K210-K212 PolarHBondContact O-N 2.75Å; K210-K213 PolarHBondContact O-N 3.48Å; K210-K213 VanDerWaalsContact O-N 3.13Å; K210-Q214 PolarHBondContact O-N 3.36Å
211N71.8Confident68Low91 Ų91117 Ų11749%0.48759%0.59SS.*Hα-helixtrans-62.4-38.3176.3-70.5-4.1000112.2Q207 N208 K215Q207-N211 WeakPolarHBondContact O-CB 3.43Å; Q207-N211 VanDerWaalsContact O-CG 3.31Å; Q207-N211 PolarHBondContact O-N 2.94Å; N208-N211 PolarHBondContact O-N 3.35Å; N211-K215 VanDerWaalsContact O-CB 3.31Å; N211-K215 WeakPolarHBondContact O-CB 3.43Å; N211-K215 PolarHBondContact O-N 3.36Å
212K65.5Low66.1Low138 Ų138114 Ų11460%0.658%0.58SS**Hα-helixtrans-66.1-39.4172.8-77.7-177.1-178.9-174.40112.8N208 K209 K210 V216N208-K212 WeakPolarHBondContact O-CB 3.26Å; N208-K212 WeakPolarHBondContact O-CG 3.41Å; N208-K212 PolarHBondContact O-N 2.96Å; K209-K212 PolarHBondContact O-N 3.1Å; K210-K212 VanDerWaalsContact C-N 3.33Å; K210-K212 PolarHBondContact O-N 2.75Å; K212-V216 WeakPolarHBondContact O-CG2 3.38Å
213K55.8Low64.6Low172 Ų172115.4 Ų115.475%0.74859%0.588SS**Hα-helixtrans-68-44176.2-81.1-174.5176.1-176.80111.9K209 K210 K215 V216K209-K213 PolarHBondContact O-N 3.47Å; K210-K213 PolarHBondContact O-N 3.48Å; K210-K213 VanDerWaalsContact O-N 3.13Å; K213-K215 VanDerWaalsContact C-N 3.33Å; K213-V216 PolarHBondContact O-N 2.89Å
214Q52.8Low63.7Low140 Ų140114.5 Ų114.565%0.65459%0.588SS**Hα-helixtrans-67.2-32175.6-85.6178.7-21.500112.5K210 V216 D217K210-Q214 PolarHBondContact O-N 3.36Å; Q214-V216 PolarHBondContact O-N 2.9Å; Q214-D217 PolarHBondContact O-N 2.8Å
215K47.9Very low62.7Low127 Ų127114.3 Ų114.355%0.55258%0.581SS**THydrogen-bonded Turntrans-66-13.7172.4-100.8-171.8169.9-174.10114.9N211 K213 D217N211-K215 VanDerWaalsContact O-CB 3.31Å; N211-K215 WeakPolarHBondContact O-CB 3.43Å; N211-K215 PolarHBondContact O-N 3.36Å; K213-K215 VanDerWaalsContact C-N 3.33Å; K215-D217 VanDerWaalsContact C-N 3.28Å
216V50.1Low61.7Low126 Ų126112.2 Ų112.276%0.76458%0.576SS**THydrogen-bonded Turntrans-86.1-7.8172.5-179.20000110.8K212 K213 Q214K212-V216 WeakPolarHBondContact O-CG2 3.38Å; K213-V216 PolarHBondContact O-N 2.89Å; Q214-V216 PolarHBondContact O-N 2.9Å
217D42.5Very low61.2Low125 Ų125110.4 Ų110.467%0.66857%0.574SS**SBendtrans-105.391.1-176.8-136.7-2.8000111.1Q214 K215Q214-D217 PolarHBondContact O-N 2.8Å; K215-D217 VanDerWaalsContact C-N 3.28Å
218V40.9Very low60.9Low128 Ų128112.8 Ų112.878%0.77658%0.583SS**  trans15.199.5159.1-164.30000116.7
219N42.7Very low60.6Low132 Ų132111.2 Ų111.271%0.70658%0.582SS**  trans-148.8135.6154.9-86.8-53.2000111.1G221 D222N219-G221 PolarHBondContact O-N 3.16Å; N219-D222 WeakPolarHBondContact O-CB 3.17Å; N219-D222 PolarHBondContact O-N 3.14Å
220E48.9Very low60.5Low190 Ų190110.4 Ų110.489%0.88858%0.583SS**THydrogen-bonded Turntrans-57.1-22.6-169.8-147.1169.5-166.300115D222 L223E220-D222 PolarHBondContact O-N 3.04Å; E220-D222 VanDerWaalsContact O-N 3.12Å; E220-L223 PolarHBondContact O-N 2.65Å
221G50.3Low60.9Low59 Ų59110.3 Ų110.361%0.60858%0.584SS**THydrogen-bonded Turntrans-65.3-7.9170.800000114.5N219 L223 T225N219-G221 PolarHBondContact O-N 3.16Å; G221-L223 VanDerWaalsContact C-N 3.34Å; G221-T225 PolarHBondContact O-OG1 3.41Å; G221-T225 VanDerWaalsContact O-OG1 3.1Å
222D52.3Low61.4Low63 Ų63108.7 Ų108.734%0.33758%0.583SS.*Hα-helixtrans-79.3-14.1178.5-146.126.5000112.9N219 E220 D224 T225 L226N219-D222 WeakPolarHBondContact O-CB 3.17Å; N219-D222 PolarHBondContact O-N 3.14Å; E220-D222 PolarHBondContact O-N 3.04Å; E220-D222 VanDerWaalsContact O-N 3.12Å; D222-D224 PolarHBondContact O-N 3.4Å; D222-T225 PolarHBondContact O-N 3.01Å; D222-L226 WeakPolarHBondContact O-CB 3.4Å; D222-L226 PolarHBondContact O-N 3.37Å
223L56Low62Low140 Ų140111.4 Ų111.473%0.73359%0.59SS**Hα-helixtrans-64.4-41.4174.2-153.692.6000111.3E220 G221 A227E220-L223 PolarHBondContact O-N 2.65Å; G221-L223 VanDerWaalsContact C-N 3.34Å; L223-A227 WeakPolarHBondContact O-CB 3.49Å; L223-A227 PolarHBondContact O-N 3.37Å
224D65.8Low63.2Low95 Ų95109 Ų10951%0.50858%0.581SS.*Hα-helixtrans-70.8-37.2177.2-168.362.1000111.5D222 A227 K228D222-D224 PolarHBondContact O-N 3.4Å; D224-A227 PolarHBondContact O-N 2.84Å; D224-K228 WeakPolarHBondContact O-CB 3.06Å; D224-K228 WeakPolarHBondContact O-CG 3.48Å; D224-K228 PolarHBondContact O-N 3.04Å; D224-K228 WeakPolarHBondContact OD2-CE 3.35Å; D224-K228 IonicContact OD2-NZ 2.69Å; D224-K228 PolarHBondContact OD2-NZ 2.65Å
225T68.6Low64.5Low57 Ų57107.1 Ų107.135%0.3557%0.572SS.*Hα-helixtrans-70.8-39.2179.1-38.60000111.6G221 D222 A229G221-T225 PolarHBondContact O-OG1 3.41Å; G221-T225 VanDerWaalsContact O-OG1 3.1Å; D222-T225 PolarHBondContact O-N 3.01Å; T225-A229 WeakPolarHBondContact O-CB 3.29Å; T225-A229 PolarHBondContact O-N 3.21Å
226L68.8Low66Low95 Ų95104.4 Ų104.450%0.49757%0.569SS.*Hα-helixtrans-69.1-43.4173.6-178.962.9000111.1D222 K228 A229 I230D222-L226 WeakPolarHBondContact O-CB 3.4Å; D222-L226 PolarHBondContact O-N 3.37Å; L226-K228 VanDerWaalsContact C-N 3.34Å; L226-K228 PolarHBondContact O-N 2.99Å; L226-A229 PolarHBondContact O-N 2.86Å; L226-A229 VanDerWaalsContact O-N 3.12Å; L226-I230 HydrophobicContact CD1-CD1 4.13Å; L226-I230 HydrophobicContact CD1-CG1 4.28Å; L226-I230 HydrophobicContact CD2-CD1 4.48Å; L226-I230 HydrophobicContact CG-CD1 3.86Å; L226-I230 HydrophobicContact CG-CG1 4.42Å; L226-I230 VanDerWaalsContact O-CG1 3.31Å; L226-I230 WeakPolarHBondContact O-CG1 3.3Å; L226-I230 PolarHBondContact O-N 3.46Å
227A77.2Confident67.3Low38 Ų38100.8 Ų100.831%0.31455%0.552SS.*Hα-helixtrans-57.9-46.1175.400000111.2L223 D224 A229 I230 Q231L223-A227 WeakPolarHBondContact O-CB 3.49Å; L223-A227 PolarHBondContact O-N 3.37Å; D224-A227 PolarHBondContact O-N 2.84Å; A227-A229 PolarHBondContact O-N 3.4Å; A227-I230 PolarHBondContact O-N 3.26Å; A227-Q231 WeakPolarHBondContact O-CB 3.48Å; A227-Q231 VanDerWaalsContact O-CG 3.31Å; A227-Q231 WeakPolarHBondContact O-CG 3.36Å; A227-Q231 PolarHBondContact O-N 3.31Å
228K77.4Confident69Low122 Ų12298.8 Ų98.853%0.5354%0.541SS..Hα-helixtrans-61-40.2173.4-80170.8178.2148.70112.8D224 L226 Q231 A232D224-K228 WeakPolarHBondContact O-CB 3.06Å; D224-K228 WeakPolarHBondContact O-CG 3.48Å; D224-K228 PolarHBondContact O-N 3.04Å; D224-K228 WeakPolarHBondContact OD2-CE 3.35Å; D224-K228 IonicContact OD2-NZ 2.69Å; D224-K228 PolarHBondContact OD2-NZ 2.65Å; L226-K228 VanDerWaalsContact C-N 3.34Å; L226-K228 PolarHBondContact O-N 2.99Å; K228-Q231 PolarHBondContact O-N 3.03Å; K228-A232 VanDerWaalsContact O-CB 3.31Å; K228-A232 WeakPolarHBondContact O-CB 3.33Å; K228-A232 PolarHBondContact O-N 2.99Å
229A79.1Confident70.7Confident56 Ų5698.6 Ų98.646%0.46353%0.53SS..Hα-helixtrans-67.4-40.3177.400000112.5T225 L226 A227 R233T225-A229 WeakPolarHBondContact O-CB 3.29Å; T225-A229 PolarHBondContact O-N 3.21Å; L226-A229 PolarHBondContact O-N 2.86Å; L226-A229 VanDerWaalsContact O-N 3.12Å; A227-A229 PolarHBondContact O-N 3.4Å; A229-R233 WeakPolarHBondContact O-CB 3.25Å; A229-R233 PolarHBondContact O-N 3.13Å
230I80.4Confident72.4Confident102 Ų10295.8 Ų95.852%0.52352%0.52SS..Hα-helixtrans-65-44.9174.9-67.5168.5000109.9L226 A227 R233 H234L226-I230 HydrophobicContact CD1-CD1 4.13Å; L226-I230 HydrophobicContact CD1-CG1 4.28Å; L226-I230 HydrophobicContact CD2-CD1 4.48Å; L226-I230 HydrophobicContact CG-CD1 3.86Å; L226-I230 HydrophobicContact CG-CG1 4.42Å; L226-I230 VanDerWaalsContact O-CG1 3.31Å; L226-I230 WeakPolarHBondContact O-CG1 3.3Å; L226-I230 PolarHBondContact O-N 3.46Å; A227-I230 PolarHBondContact O-N 3.26Å; I230-R233 PolarHBondContact O-N 3.48Å; I230-H234 WeakPolarHBondContact O-CB 3.5Å; I230-H234 PolarHBondContact O-N 2.83Å
231Q83.6Confident73.5Confident121 Ų12189.1 Ų89.157%0.56550%0.495SS*.Hα-helixtrans-62.2-47.1176-76.2176.1-8.600112.1A227 K228 R233 H234 E235A227-Q231 WeakPolarHBondContact O-CB 3.48Å; A227-Q231 VanDerWaalsContact O-CG 3.31Å; A227-Q231 WeakPolarHBondContact O-CG 3.36Å; A227-Q231 PolarHBondContact O-N 3.31Å; K228-Q231 PolarHBondContact O-N 3.03Å; Q231-R233 VanDerWaalsContact C-N 3.3Å; Q231-R233 PolarHBondContact O-N 2.89Å; Q231-H234 CarbonylContact O-C 3.44Å; Q231-H234 WeakPolarHBondContact O-CB 3.47Å; Q231-H234 PolarHBondContact O-N 2.93Å; Q231-H234 VanDerWaalsContact O-N 3.13Å; Q231-E235 PolarHBondContact O-N 3.18Å
232A82.3Confident74.7Confident56 Ų5692.5 Ų92.546%0.46350%0.495SS..Hα-helixtrans-62.1-38.417700000112K228 E235 S236K228-A232 VanDerWaalsContact O-CB 3.31Å; K228-A232 WeakPolarHBondContact O-CB 3.33Å; K228-A232 PolarHBondContact O-N 2.99Å; A232-E235 PolarHBondContact O-N 3.49Å; A232-S236 WeakPolarHBondContact O-CB 3.17Å; A232-S236 PolarHBondContact O-N 3.02Å; A232-S236 PolarHBondContact O-OG 3.33Å
233R79.7Confident76Confident196 Ų19694.5 Ų94.574%0.7451%0.506SS*.Hα-helixtrans-64.2-45.1173.3-170.6178.9-177.4-159.6-0.3110.8A229 I230 Q231 S236 A237A229-R233 WeakPolarHBondContact O-CB 3.25Å; A229-R233 PolarHBondContact O-N 3.13Å; I230-R233 PolarHBondContact O-N 3.48Å; Q231-R233 VanDerWaalsContact C-N 3.3Å; Q231-R233 PolarHBondContact O-N 2.89Å; R233-S236 WeakPolarHBondContact CA-OG 3.3Å; R233-S236 PolarHBondContact O-N 2.9Å; R233-S236 PolarHBondContact O-OG 3.09Å; R233-A237 VanDerWaalsContact O-CB 3.28Å; R233-A237 WeakPolarHBondContact O-CB 3.24Å; R233-A237 PolarHBondContact O-N 2.77Å
234H79.9Confident77.4Confident120 Ų12094 Ų9456%0.55650%0.498SS*.Hα-helixtrans-63.1-43177.4-158.9-88.5000111.6I230 Q231 A237 L238I230-H234 WeakPolarHBondContact O-CB 3.5Å; I230-H234 PolarHBondContact O-N 2.83Å; Q231-H234 CarbonylContact O-C 3.44Å; Q231-H234 WeakPolarHBondContact O-CB 3.47Å; Q231-H234 PolarHBondContact O-N 2.93Å; Q231-H234 VanDerWaalsContact O-N 3.13Å; H234-A237 PolarHBondContact O-N 3.4Å; H234-L238 VanDerWaalsContact ND1-CD1 3.3Å; H234-L238 WeakPolarHBondContact ND1-CD1 3.37Å; H234-L238 VanDerWaalsContact O-CB 3.31Å; H234-L238 WeakPolarHBondContact O-CB 3.18Å; H234-L238 VanDerWaalsContact O-CG 3.25Å; H234-L238 WeakPolarHBondContact O-CG 3.46Å; H234-L238 PolarHBondContact O-N 2.79Å
235E80.7Confident78.2Confident102 Ų10294.8 Ų94.848%0.47750%0.501SS..Hα-helixtrans-62.5-44.4173.3-79.5-170.7-157.600112.5Q231 A232 A237 L238 K239Q231-E235 PolarHBondContact O-N 3.18Å; A232-E235 PolarHBondContact O-N 3.49Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.32Å; E235-L238 PolarHBondContact O-N 2.86Å; E235-K239 VanDerWaalsContact O-CB 3.27Å; E235-K239 WeakPolarHBondContact O-CB 3.47Å; E235-K239 WeakPolarHBondContact O-CD 3.14Å; E235-K239 WeakPolarHBondContact O-CG 3.25Å; E235-K239 PolarHBondContact O-N 3.39Å; E235-K239 IonicContact OE2-NZ 3.79Å; E235-K239 PolarHBondContact OE2-NZ 3.44Å
236S80Confident78.8Confident70 Ų7096.5 Ų96.549%0.4951%0.508SS..Hα-helixtrans-65.6-37.5178.169.80000111.6A232 R233 S240A232-S236 WeakPolarHBondContact O-CB 3.17Å; A232-S236 PolarHBondContact O-N 3.02Å; A232-S236 PolarHBondContact O-OG 3.33Å; R233-S236 WeakPolarHBondContact CA-OG 3.3Å; R233-S236 PolarHBondContact O-N 2.9Å; R233-S236 PolarHBondContact O-OG 3.09Å; S236-S240 VanDerWaalsContact O-CB 3.32Å; S236-S240 WeakPolarHBondContact O-CB 3.2Å; S236-S240 PolarHBondContact O-N 3.11Å; S236-S240 PolarHBondContact O-OG 3.43Å
237A76.6Confident79.4Confident49 Ų4998.8 Ų98.841%0.40551%0.514SS..Hα-helixtrans-66.4-46.3174.400000110.8R233 H234 E235 S240 S241R233-A237 VanDerWaalsContact O-CB 3.28Å; R233-A237 WeakPolarHBondContact O-CB 3.24Å; R233-A237 PolarHBondContact O-N 2.77Å; H234-A237 PolarHBondContact O-N 3.4Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.32Å; A237-S240 CarbonylContact O-C 3.55Å; A237-S240 PolarHBondContact O-N 3.2Å; A237-S240 PolarHBondContact O-OG 2.93Å; A237-S241 PolarHBondContact O-N 3.35Å; A237-S241 PolarHBondContact O-OG 3.43Å
238L78Confident79.5Confident84 Ų84100 Ų10044%0.4452%0.515SS..Hα-helixtrans-61.1-47.9175.5-76.9174.2000111.9H234 E235 S240 S241 E242H234-L238 VanDerWaalsContact ND1-CD1 3.3Å; H234-L238 WeakPolarHBondContact ND1-CD1 3.37Å; H234-L238 VanDerWaalsContact O-CB 3.31Å; H234-L238 WeakPolarHBondContact O-CB 3.18Å; H234-L238 VanDerWaalsContact O-CG 3.25Å; H234-L238 WeakPolarHBondContact O-CG 3.46Å; H234-L238 PolarHBondContact O-N 2.79Å; E235-L238 PolarHBondContact O-N 2.86Å; L238-S240 PolarHBondContact O-N 3.03Å; L238-S241 VanDerWaalsContact CA-OG 3.3Å; L238-S241 WeakPolarHBondContact CA-OG 3.48Å; L238-S241 CarbonylContact O-C 3.6Å; L238-S241 PolarHBondContact O-N 2.78Å; L238-S241 VanDerWaalsContact O-N 3.09Å; L238-S241 PolarHBondContact O-OG 3.46Å; L238-E242 WeakPolarHBondContact O-CG 3.37Å; L238-E242 PolarHBondContact O-N 3.37Å
239K77.2Confident79.7Confident124 Ų12496.7 Ų96.754%0.53951%0.51SS..Hα-helixtrans-59.7-37.8175-73.8164.2179.8159.10111E235 N243E235-K239 VanDerWaalsContact O-CB 3.27Å; E235-K239 WeakPolarHBondContact O-CB 3.47Å; E235-K239 WeakPolarHBondContact O-CD 3.14Å; E235-K239 WeakPolarHBondContact O-CG 3.25Å; E235-K239 PolarHBondContact O-N 3.39Å; E235-K239 IonicContact OE2-NZ 3.79Å; E235-K239 PolarHBondContact OE2-NZ 3.44Å; K239-N243 WeakPolarHBondContact O-CB 3.36Å; K239-N243 VanDerWaalsContact O-CG 3.29Å; K239-N243 PolarHBondContact O-N 2.94Å; K239-N243 VanDerWaalsContact O-N 3.09Å; K239-N243 PolarHBondContact O-ND2 3.44Å
240S76.8Confident79.7Confident72 Ų72100.3 Ų100.350%0.50352%0.518SS..Hα-helixtrans-70.8-35.6175.277.70000112.9S236 A237 L238 F244S236-S240 VanDerWaalsContact O-CB 3.32Å; S236-S240 WeakPolarHBondContact O-CB 3.2Å; S236-S240 PolarHBondContact O-N 3.11Å; S236-S240 PolarHBondContact O-OG 3.43Å; A237-S240 CarbonylContact O-C 3.55Å; A237-S240 PolarHBondContact O-N 3.2Å; A237-S240 PolarHBondContact O-OG 2.93Å; L238-S240 PolarHBondContact O-N 3.03Å; S240-F244 WeakPolarHBondContact O-CB 3.26Å; S240-F244 PolarHBondContact O-N 3.27Å
241S73.5Confident79.5Confident50 Ų50103 Ų10335%0.3553%0.526SS..Hα-helixtrans-74.5-34.817760.20000112.9A237 L238 F244 L245A237-S241 PolarHBondContact O-N 3.35Å; A237-S241 PolarHBondContact O-OG 3.43Å; L238-S241 VanDerWaalsContact CA-OG 3.3Å; L238-S241 WeakPolarHBondContact CA-OG 3.48Å; L238-S241 CarbonylContact O-C 3.6Å; L238-S241 PolarHBondContact O-N 2.78Å; L238-S241 VanDerWaalsContact O-N 3.09Å; L238-S241 PolarHBondContact O-OG 3.46Å; S241-F244 WeakPolarHBondContact O-CB 3.35Å; S241-F244 PolarHBondContact O-N 3.26Å; S241-L245 PolarHBondContact O-N 3.36Å
242E75.8Confident79.4Confident131 Ų131105 Ų10561%0.61253%0.529SS*.Hα-helixtrans-66.5-45.5172.2-68.5-141.4156.200110.6L238 F244 L245 D246L238-E242 WeakPolarHBondContact O-CG 3.37Å; L238-E242 PolarHBondContact O-N 3.37Å; E242-F244 PolarHBondContact O-N 3.37Å; E242-F244 VanDerWaalsContact O-N 3.15Å; E242-L245 PolarHBondContact O-N 3.15Å; E242-L245 VanDerWaalsContact O-N 3.13Å; E242-D246 WeakPolarHBondContact O-CB 3.31Å; E242-D246 PolarHBondContact O-N 2.66Å
243N79.2Confident78.8Confident105 Ų105106.4 Ų106.456%0.56154%0.535SS*.Hα-helixtrans-58.8-29171.5-79.5-51.8000112.9K239 K247K239-N243 WeakPolarHBondContact O-CB 3.36Å; K239-N243 VanDerWaalsContact O-CG 3.29Å; K239-N243 PolarHBondContact O-N 2.94Å; K239-N243 VanDerWaalsContact O-N 3.09Å; K239-N243 PolarHBondContact O-ND2 3.44Å; N243-K247 WeakPolarHBondContact O-CB 3.32Å; N243-K247 WeakPolarHBondContact O-CG 3.36Å; N243-K247 PolarHBondContact O-N 3.19Å; N243-K247 VanDerWaalsContact O-N 3.17Å
244F84.9Confident77.8Confident129 Ų129101.2 Ų101.257%0.56653%0.529SS*.Hα-helixtrans-74.9-45.4174.4175.5-99.3000112.2S240 S241 E242 K247 I248S240-F244 WeakPolarHBondContact O-CB 3.26Å; S240-F244 PolarHBondContact O-N 3.27Å; S241-F244 WeakPolarHBondContact O-CB 3.35Å; S241-F244 PolarHBondContact O-N 3.26Å; E242-F244 PolarHBondContact O-N 3.37Å; E242-F244 VanDerWaalsContact O-N 3.15Å; F244-K247 WeakPolarHBondContact O-CB 3.46Å; F244-K247 PolarHBondContact O-N 2.93Å; F244-I248 HydrophobicContact CD1-CD1 4Å; F244-I248 HydrophobicContact CE1-CD1 3.37Å; F244-I248 HydrophobicContact CE1-CG1 4.36Å; F244-I248 HydrophobicContact CE2-CD1 4.38Å; F244-I248 HydrophobicContact CZ-CD1 3.6Å; F244-I248 HydrophobicContact CZ-CG1 4.38Å; F244-I248 PolarHBondContact O-N 2.88Å
245L83.5Confident76.6Confident112 Ų112103.3 Ų103.359%0.58654%0.537SS*.Hα-helixtrans-64-40.4175.3-78.8173.9000111.8S241 E242 K247 I248 A249S241-L245 PolarHBondContact O-N 3.36Å; E242-L245 PolarHBondContact O-N 3.15Å; E242-L245 VanDerWaalsContact O-N 3.13Å; L245-K247 VanDerWaalsContact C-N 3.34Å; L245-K247 PolarHBondContact O-N 3.35Å; L245-I248 CarbonylContact O-C 3.6Å; L245-I248 WeakPolarHBondContact O-CB 3.31Å; L245-I248 PolarHBondContact O-N 2.86Å; L245-I248 VanDerWaalsContact O-N 3.1Å; L245-A249 WeakPolarHBondContact O-CB 3.07Å; L245-A249 PolarHBondContact O-N 3.34Å
246D80.5Confident75.1Confident93 Ų93106.8 Ų106.850%0.49755%0.553SS.*Hα-helixtrans-62.8-39.9173.3-84.9-15.8000111.9E242 I248 A249 Q250E242-D246 WeakPolarHBondContact O-CB 3.31Å; E242-D246 PolarHBondContact O-N 2.66Å; D246-I248 VanDerWaalsContact C-N 3.29Å; D246-I248 PolarHBondContact O-N 3.08Å; D246-A249 PolarHBondContact O-N 3.5Å; D246-Q250 WeakPolarHBondContact O-CB 3.36Å; D246-Q250 VanDerWaalsContact O-CG 3.29Å; D246-Q250 WeakPolarHBondContact O-CG 3.46Å; D246-Q250 PolarHBondContact O-N 3.05Å
247K81.3Confident73.5Confident142 Ų142112.1 Ų112.162%0.61757%0.57SS**Hα-helixtrans-61.6-37.1172.2-90.2178.9178.3173.80112.5N243 F244 L245 K251N243-K247 WeakPolarHBondContact O-CB 3.32Å; N243-K247 WeakPolarHBondContact O-CG 3.36Å; N243-K247 PolarHBondContact O-N 3.19Å; N243-K247 VanDerWaalsContact O-N 3.17Å; F244-K247 WeakPolarHBondContact O-CB 3.46Å; F244-K247 PolarHBondContact O-N 2.93Å; L245-K247 VanDerWaalsContact C-N 3.34Å; L245-K247 PolarHBondContact O-N 3.35Å; K247-K251 WeakPolarHBondContact O-CB 3.36Å; K247-K251 WeakPolarHBondContact O-CG 3.36Å; K247-K251 PolarHBondContact O-N 2.68Å; K247-K251 VanDerWaalsContact O-N 3.08Å
248I79.8Confident71.6Confident63 Ų63117.6 Ų117.632%0.32359%0.592SS.*Hα-helixtrans-67.9-51.5174.5-71.2177.8000109.5F244 L245 D246 Q250 K251 Y252F244-I248 HydrophobicContact CD1-CD1 4Å; F244-I248 HydrophobicContact CE1-CD1 3.37Å; F244-I248 HydrophobicContact CE1-CG1 4.36Å; F244-I248 HydrophobicContact CE2-CD1 4.38Å; F244-I248 HydrophobicContact CZ-CD1 3.6Å; F244-I248 HydrophobicContact CZ-CG1 4.38Å; F244-I248 PolarHBondContact O-N 2.88Å; L245-I248 CarbonylContact O-C 3.6Å; L245-I248 WeakPolarHBondContact O-CB 3.31Å; L245-I248 PolarHBondContact O-N 2.86Å; L245-I248 VanDerWaalsContact O-N 3.1Å; D246-I248 VanDerWaalsContact C-N 3.29Å; D246-I248 PolarHBondContact O-N 3.08Å; I248-Q250 VanDerWaalsContact C-N 3.27Å; I248-Q250 PolarHBondContact O-N 2.95Å; I248-K251 WeakPolarHBondContact O-CB 3.37Å; I248-K251 PolarHBondContact O-N 3.49Å; I248-Y252 HydrophobicContact CG2-CD2 3.75Å; I248-Y252 HydrophobicContact CG2-CE2 3.91Å; I248-Y252 VanDerWaalsContact O-CD2 3.26Å; I248-Y252 WeakPolarHBondContact O-CD2 3.2Å; I248-Y252 PolarHBondContact O-N 2.95Å
249A80.3Confident70Confident53 Ų53119.5 Ų119.544%0.43861%0.609SS.*Hα-helixtrans-54.6-44.5178.800000111.2L245 D246 Y252 S253L245-A249 WeakPolarHBondContact O-CB 3.07Å; L245-A249 PolarHBondContact O-N 3.34Å; D246-A249 PolarHBondContact O-N 3.5Å; A249-Y252 PolarHBondContact O-N 3.36Å; A249-S253 VanDerWaalsContact O-CB 3.25Å; A249-S253 WeakPolarHBondContact O-CB 3.42Å; A249-S253 PolarHBondContact O-N 3.45Å; A249-S253 PolarHBondContact O-OG 3.3Å
250Q80.5Confident68.2Low133 Ų133118.6 Ų118.662%0.62162%0.618SS**Hα-helixtrans-60.9-44.7174.5-76179.10.100112.7D246 I248 Y252 S253 S254D246-Q250 WeakPolarHBondContact O-CB 3.36Å; D246-Q250 VanDerWaalsContact O-CG 3.29Å; D246-Q250 WeakPolarHBondContact O-CG 3.46Å; D246-Q250 PolarHBondContact O-N 3.05Å; I248-Q250 VanDerWaalsContact C-N 3.27Å; I248-Q250 PolarHBondContact O-N 2.95Å; Q250-Y252 VanDerWaalsContact C-N 3.27Å; Q250-Y252 PolarHBondContact O-N 3.12Å; Q250-S253 WeakPolarHBondContact CA-OG 3.43Å; Q250-S253 PolarHBondContact O-OG 3.31Å; Q250-S254 PolarHBondContact O-N 3Å; Q250-S254 PolarHBondContact O-OG 3.37Å
251K76.1Confident66.3Low159 Ų159126.3 Ų126.369%0.69164%0.637SS**Hα-helixtrans-61.3-32.3177.7-85-176.3174.7-175.60113.7K247 I248K247-K251 WeakPolarHBondContact O-CB 3.36Å; K247-K251 WeakPolarHBondContact O-CG 3.36Å; K247-K251 PolarHBondContact O-N 2.68Å; K247-K251 VanDerWaalsContact O-N 3.08Å; I248-K251 WeakPolarHBondContact O-CB 3.37Å; I248-K251 PolarHBondContact O-N 3.49Å
252Y80.8Confident64.7Low162 Ų162133.5 Ų133.564%0.63566%0.661SS**Hα-helixtrans-97.9-28.8-176.7-72.8-82.4000113.9I248 A249 Q250I248-Y252 HydrophobicContact CG2-CD2 3.75Å; I248-Y252 HydrophobicContact CG2-CE2 3.91Å; I248-Y252 VanDerWaalsContact O-CD2 3.26Å; I248-Y252 WeakPolarHBondContact O-CD2 3.2Å; I248-Y252 PolarHBondContact O-N 2.95Å; A249-Y252 PolarHBondContact O-N 3.36Å; Q250-Y252 VanDerWaalsContact C-N 3.27Å; Q250-Y252 PolarHBondContact O-N 3.12Å
253S70Confident62.8Low85 Ų85135.8 Ų135.859%0.59467%0.669SS**Hα-helixtrans-71-30.1174.553.90000112.8A249 Q250 K255A249-S253 VanDerWaalsContact O-CB 3.25Å; A249-S253 WeakPolarHBondContact O-CB 3.42Å; A249-S253 PolarHBondContact O-N 3.45Å; A249-S253 PolarHBondContact O-OG 3.3Å; Q250-S253 WeakPolarHBondContact CA-OG 3.43Å; Q250-S253 PolarHBondContact O-OG 3.31Å; S253-K255 PolarHBondContact O-N 3.19Å; S253-K255 VanDerWaalsContact O-N 3.12Å
254S59Low60.9Low87 Ų87136.7 Ų136.761%0.60868%0.681SS**G310 helixtrans-72.9-1.518066.30000114.4Q250 Q256Q250-S254 PolarHBondContact O-N 3Å; Q250-S254 PolarHBondContact O-OG 3.37Å; S254-Q256 VanDerWaalsContact C-N 3.27Å; S254-Q256 PolarHBondContact O-N 3.06Å
255K53.9Low58.7Low164 Ų164137 Ų13771%0.71369%0.694SS**G310 helixtrans-76.4-1.6179.4-90.2-171.9176.7-178.50115.3S253S253-K255 PolarHBondContact O-N 3.19Å; S253-K255 VanDerWaalsContact O-N 3.12Å
256Q48.8Very low56.6Low176 Ų176141.6 Ų141.682%0.82271%0.709SS**G310 helixtrans-103.21.9-175.6-74.3-172.5-8.100116.6S254 L258S254-Q256 VanDerWaalsContact C-N 3.27Å; S254-Q256 PolarHBondContact O-N 3.06Å; Q256-L258 PolarHBondContact O-N 3.26Å
257Q47.3Very low54.7Low182 Ų182143.3 Ų143.385%0.8572%0.723SS**  trans-97.379.8173.6-64.6-173.42600110.7P259Q257-P259 WeakPolarHBondContact O-CD 3.11Å
258L37.1Very low52.9Low163 Ų163142.7 Ų142.785%0.85373%0.733SS**  trans-58.5122.8163-84.2113.6000108.8Q256 S260Q256-L258 PolarHBondContact O-N 3.26Å; L258-S260 PolarHBondContact O-N 2.91Å
259P42.6Very low51.1Low124 Ų124149.1 Ų149.181%0.80576%0.759SS**  trans-78.2119.2-178.121-15.6000110.1Q257 R261Q257-P259 WeakPolarHBondContact O-CD 3.11Å; P259-R261 PolarHBondContact O-N 3.21Å; P259-R261 VanDerWaalsContact O-N 3.1Å
260S40.8Very low49.4Very low105 Ų105152.3 Ų152.373%0.73478%0.776SS**  trans-61.5111.816662.70000109.4L258 K262L258-S260 PolarHBondContact O-N 2.91Å; S260-K262 PolarHBondContact O-N 2.81Å
261R37.3Very low47.7Very low235 Ų235154.3 Ų154.389%0.88779%0.789SS**  trans-54.397.1177.6-177176168-179-3.4112.1P259P259-R261 PolarHBondContact O-N 3.21Å; P259-R261 VanDerWaalsContact O-N 3.1Å
262K38.7Very low46.3Very low200 Ų200156.3 Ų156.387%0.8780%0.798SS**PPolyproline II helixtrans-89121.8165.7-84.3-176176.8177.50110.2S260S260-K262 PolarHBondContact O-N 2.81Å
263K35.9Very low44.4Very low179 Ų179158.6 Ų158.678%0.77881%0.811SS**PPolyproline II helixtrans-66.8145.9-176.8-71.4176.4177.5175.40111.8
264P40.3Very low43.1Very low125 Ų125164.3 Ų164.381%0.81283%0.825SS**PPolyproline II helixtrans-77.8124.3179.531.8-33.6000111.2K266P264-K266 PolarHBondContact O-N 2.82Å
265T37.6Very low42.4Very low136 Ų136173.5 Ų173.583%0.83486%0.855SS**  trans-72.4111.5172.846.10000110
266K40.4Very low41.8Very low207 Ų207174 Ų17490%0.986%0.862SS**PPolyproline II helixtrans-79.1122.3168.3-85.1-177.9174.7177.50109.4P264P264-K266 PolarHBondContact O-N 2.82Å
267T41.1Very low41.5Very low129 Ų129173.9 Ų173.979%0.79186%0.864SS**PPolyproline II helixtrans-74.1148.1174.344.50000111.9
268P42.9Very low41.1Very low129 Ų129173.4 Ų173.484%0.83886%0.864SS**PPolyproline II helixtrans-85.6141-169.31.618.2000112.3
269K41Very low41.4Very low198 Ų198174.1 Ų174.186%0.86187%0.865SS**PPolyproline II helixtrans-81.6143.3171.6-82-179175.6178.70111.1
270P44.4Very low41.3Very low121 Ų121177.2 Ų177.279%0.78687%0.869SS**PPolyproline II helixtrans-75.9137-178.124.1-24000113.1K272P270-K272 PolarHBondContact O-N 2.98Å
271L46.7Very low41.3Very low174 Ų174182 Ų18291%0.91188%0.878SS**PPolyproline II helixtrans-66.5119178.3-76.8145.2000111.2K273L271-K273 PolarHBondContact O-N 2.93Å
272K45.2Very low41.6Very low201 Ų201178.2 Ų178.287%0.87488%0.877SS**PPolyproline II helixtrans-74.9116.2167.1-72.7-175.5175.6-176.80109P270 K274P270-K272 PolarHBondContact O-N 2.98Å; K272-K274 PolarHBondContact O-N 3.03Å
273K42.4Very low41.8Very low211 Ų211176.5 Ų176.592%0.91788%0.878SS**PPolyproline II helixtrans-59116.6169.4-70.1178.1175.8178.60109.2L271L271-K273 PolarHBondContact O-N 2.93Å
274K42.6Very low42.3Very low204 Ų204176.3 Ų176.389%0.88789%0.886SS**PPolyproline II helixtrans-80.1134.6161.5-82.2-175.5172.6-1780107.8K272K272-K274 PolarHBondContact O-N 3.03Å
275K43.5Very low42.5Very low281 Ų281181 Ų181100%1.22289%0.893SS**  trans-59.80159.8-79-178.9173.4-178.90109.8

Retrieved 275 of 275 residues in 408.6 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).