A0A5K4FAT2_SCHMA Loading...

Riboflavin transporter

Plasma membrane transporter mediating the uptake by cells of the water soluble vitamin B2/riboflavin that plays a key role in biochemical oxidation-reduction reactions of the carbohydrate, lipid, and amino acid metabolism.

AlphaFold DB , UniProt , Accession A0A5K4FAT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 531 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
1M32.7Very low53.1Low247 Ų247124.1 Ų124.1100%1.21766%0.663SS**  0102.40-78.9171171.900107.9
2V32.2Very low56.2Low139 Ų139131.3 Ų131.384%0.84267%0.674SS**PPolyproline II helixtrans-86.7127.6173.7177.90000106.6S4V2-S4 PolarHBondContact O-N 3.49Å
3P29.4Very low59Low120 Ų120128.8 Ų128.878%0.77966%0.662SS**PPolyproline II helixtrans-60.4133.2177.7-15.828.4000110
4S33.2Very low61.4Low108 Ų108119.6 Ų119.676%0.75562%0.615SS**PPolyproline II helixtrans-51.7143.2178.1540000112.8V2 N6V2-S4 PolarHBondContact O-N 3.49Å; S4-N6 PolarHBondContact O-N 3.42Å
5E39Very low63.4Low160 Ų160112.1 Ų112.175%0.74858%0.578SS**  trans-29.1126.8157.1-98163.1137.500111.8D7E5-D7 PolarHBondContact O-N 3.09Å
6N45.4Very low65.4Low132 Ų132109.3 Ų109.371%0.70657%0.57SS**  trans-62.488.8149.6-83.4-18.6000105.5S4 I8S4-N6 PolarHBondContact O-N 3.42Å; N6-I8 VanDerWaalsContact C-N 3.32Å; N6-I8 PolarHBondContact O-N 3.45Å
7D56.2Low67.1Low126 Ų126104 Ų10467%0.67454%0.542SS*.  trans-57.399173.6-89.7-24.5000107.5E5 K9E5-D7 PolarHBondContact O-N 3.09Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 3.18Å
8I68.8Low68.6Low36 Ų3698.2 Ų98.219%0.18551%0.512CS..  trans-58.9103.7170.5-63.5170.2000105.4N6 F10 M155 P156 F242N6-I8 VanDerWaalsContact C-N 3.32Å; N6-I8 PolarHBondContact O-N 3.45Å; I8-F10 PolarHBondContact O-N 3.28Å; I8-F10 VanDerWaalsContact O-N 3.13Å; I8-M155 HydrophobicContact CD1-CE 3.56Å; I8-M155 HydrophobicContact CD1-SD 3.77Å; I8-P156 HydrophobicContact CB-CG 4.47Å; I8-F242 HydrophobicContact CD1-CB 3.7Å; I8-F242 HydrophobicContact CD1-CD1 3.99Å; I8-F242 HydrophobicContact CD1-CG 3.93Å; I8-F242 HydrophobicContact CG1-CB 4.45Å; I8-F242 HydrophobicContact CG1-CD1 3.84Å; I8-F242 HydrophobicContact CG1-CE1 4.27Å; I8-F242 HydrophobicContact CG1-CG 4.15Å
9K73.4Confident70Confident182 Ų18294.2 Ų94.279%0.79149%0.493SS*.  trans-59.7122.6177.9-70-173.6179.3-178.50108.2D7 T11D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 3.18Å; K9-T11 PolarHBondContact O-N 3.04Å
10F83.6Confident71.2Confident65 Ų6591.9 Ų91.929%0.28548%0.481SS..  trans-55.7133.8172.6173.3-96.8000109.9I8 W12 A15 L158 Y159I8-F10 PolarHBondContact O-N 3.28Å; I8-F10 VanDerWaalsContact O-N 3.13Å; F10-W12 AromaticContact CE1-CD2 3.82Å; F10-W12 HydrophobicContact CE1-CD2 3.82Å; F10-W12 AromaticContact CE1-CE2 3.85Å; F10-W12 HydrophobicContact CE1-CE3 4.2Å; F10-W12 HydrophobicContact CE1-CG 4.14Å; F10-W12 HydrophobicContact CE1-CZ2 4.26Å; F10-W12 HydrophobicContact CZ-CD2 4.26Å; F10-W12 HydrophobicContact CZ-CE3 4.18Å; F10-W12 HydrophobicContact CZ-CZ3 4.43Å; F10-A15 HydrophobicContact CE2-CB 3.79Å; F10-A15 HydrophobicContact CZ-CB 3.74Å; F10-L158 HydrophobicContact CD1-CD2 4.36Å; F10-L158 HydrophobicContact CD2-CB 3.7Å; F10-L158 HydrophobicContact CD2-CD2 3.81Å; F10-L158 HydrophobicContact CD2-CG 4.32Å; F10-L158 HydrophobicContact CE1-CD2 4.32Å; F10-L158 HydrophobicContact CE2-CB 3.57Å; F10-L158 HydrophobicContact CE2-CD2 3.77Å; F10-L158 HydrophobicContact CE2-CG 4.33Å; F10-L158 HydrophobicContact CG-CD2 4.11Å; F10-L158 HydrophobicContact CZ-CB 4.5Å; F10-L158 HydrophobicContact CZ-CD2 4.03Å; F10-Y159 HydrophobicContact CD2-CE1 4.1Å; F10-Y159 HydrophobicContact CD2-CE2 4.42Å; F10-Y159 HydrophobicContact CE2-CD1 4.48Å; F10-Y159 HydrophobicContact CE2-CE1 4.16Å
11T90.2Very high72.3Confident50 Ų5087.5 Ų87.531%0.30746%0.458SS..  trans-126.6135.4172.666.60000110.6K9 L13 A14 A15 Y159K9-T11 PolarHBondContact O-N 3.04Å; T11-L13 PolarHBondContact O-N 2.63Å; T11-A14 PolarHBondContact O-N 3.41Å; T11-A14 VanDerWaalsContact OG1-CB 3.24Å; T11-A14 WeakPolarHBondContact OG1-CB 3.43Å; T11-A14 PolarHBondContact OG1-N 3.38Å; T11-A15 PolarHBondContact O-N 2.94Å; T11-Y159 PolarHBondContact N-OH 3.42Å; T11-Y159 VanDerWaalsContact N-OH 3.1Å
12W90Very high75.2Confident210 Ų21075.7 Ų75.780%0.79540%0.4SS*.Hα-helixtrans-61.7-31.7176.4-73.7106.3000112.7F10 A15 C16F10-W12 AromaticContact CE1-CD2 3.82Å; F10-W12 HydrophobicContact CE1-CD2 3.82Å; F10-W12 AromaticContact CE1-CE2 3.85Å; F10-W12 HydrophobicContact CE1-CE3 4.2Å; F10-W12 HydrophobicContact CE1-CG 4.14Å; F10-W12 HydrophobicContact CE1-CZ2 4.26Å; F10-W12 HydrophobicContact CZ-CD2 4.26Å; F10-W12 HydrophobicContact CZ-CE3 4.18Å; F10-W12 HydrophobicContact CZ-CZ3 4.43Å; W12-A15 PolarHBondContact O-N 3.04Å; W12-C16 WeakPolarHBondContact O-CB 3.41Å; W12-C16 PolarHBondContact O-N 3.39Å
13L92.8Very high78.2Confident99 Ų9969.9 Ų69.952%0.51836%0.364SS..Hα-helixtrans-64.9-48.6176.8-177.664.5000111.5T11 A15 C16 L17 I237T11-L13 PolarHBondContact O-N 2.63Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.34Å; L13-C16 WeakPolarHBondContact O-CB 3.33Å; L13-C16 PolarHBondContact O-N 2.91Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.48Å; L13-I237 HydrophobicContact CD2-CG2 3.97Å
14A92.6Very high81.2Confident1 Ų164.2 Ų64.21%0.00833%0.327CS..Hα-helixtrans-63.3-38.7176.300000111.2T11 C16 L17 V18 Y159 L239T11-A14 PolarHBondContact O-N 3.41Å; T11-A14 VanDerWaalsContact OG1-CB 3.24Å; T11-A14 WeakPolarHBondContact OG1-CB 3.43Å; T11-A14 PolarHBondContact OG1-N 3.38Å; A14-C16 VanDerWaalsContact C-N 3.34Å; A14-C16 PolarHBondContact O-N 3.17Å; A14-L17 PolarHBondContact O-N 2.87Å; A14-V18 WeakPolarHBondContact O-CB 3.48Å; A14-V18 VanDerWaalsContact O-CG2 3.23Å; A14-V18 WeakPolarHBondContact O-CG2 3.23Å; A14-V18 PolarHBondContact O-N 3.48Å; A14-Y159 HydrophobicContact CB-CE1 3.56Å; A14-L239 HydrophobicContact CB-CD2 4.35Å; A14-L239 HydrophobicContact CB-CG 4.21Å
15A92.1Very high83.9Confident7 Ų759.3 Ų59.36%0.05829%0.293CS..Hα-helixtrans-62.9-39.6174.900000112.4F10 T11 W12 L13 V18 S19 Y159 A162F10-A15 HydrophobicContact CE2-CB 3.79Å; F10-A15 HydrophobicContact CZ-CB 3.74Å; T11-A15 PolarHBondContact O-N 2.94Å; W12-A15 PolarHBondContact O-N 3.04Å; L13-A15 VanDerWaalsContact C-N 3.3Å; L13-A15 PolarHBondContact O-N 3.34Å; A15-V18 PolarHBondContact O-N 2.88Å; A15-S19 WeakPolarHBondContact O-CB 3.27Å; A15-S19 PolarHBondContact O-N 3.37Å; A15-S19 PolarHBondContact O-OG 3.49Å; A15-Y159 HydrophobicContact CB-CD1 4.3Å; A15-Y159 HydrophobicContact CB-CE1 4.23Å; A15-A162 HydrophobicContact CB-CB 4.07Å; A15-A162 WeakPolarHBondContact O-CB 3.47Å
16C94.2Very high86.5Confident67 Ų6754 Ų5445%0.45327%0.266SS..Hα-helixtrans-63.9-45.7174.4-1750000111.6W12 L13 A14 V18 S19 L20W12-C16 WeakPolarHBondContact O-CB 3.41Å; W12-C16 PolarHBondContact O-N 3.39Å; L13-C16 WeakPolarHBondContact O-CB 3.33Å; L13-C16 PolarHBondContact O-N 2.91Å; A14-C16 VanDerWaalsContact C-N 3.34Å; A14-C16 PolarHBondContact O-N 3.17Å; C16-V18 VanDerWaalsContact C-N 3.34Å; C16-V18 PolarHBondContact O-N 2.93Å; C16-S19 WeakPolarHBondContact O-CB 3.47Å; C16-S19 PolarHBondContact O-N 2.94Å; C16-S19 VanDerWaalsContact O-N 3.15Å; C16-L20 WeakPolarHBondContact O-CG 3.39Å; C16-L20 PolarHBondContact O-N 3.25Å
17L95.6Very high88.9Confident19 Ų1947.8 Ų47.810%0.09923%0.233CC..Hα-helixtrans-61-41.9175.2-69.2173.6000111.9L13 A14 S19 L20 Y21 A228 L231 L232L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.48Å; A14-L17 PolarHBondContact O-N 2.87Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.45Å; L17-L20 PolarHBondContact O-N 2.81Å; L17-Y21 WeakPolarHBondContact O-CB 3.38Å; L17-Y21 PolarHBondContact O-N 3.36Å; L17-A228 HydrophobicContact CD2-CB 4.09Å; L17-L231 HydrophobicContact CD1-CB 4.06Å; L17-L231 HydrophobicContact CD2-CB 4.06Å; L17-L231 HydrophobicContact CD2-CD1 4.08Å; L17-L232 HydrophobicContact CB-CD1 4.29Å
18V93.8Very high90.7Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-64.1-36.9175172.40000111.6A14 A15 C16 Y21 G22 L152 Y159 A162 L163 L232 L239A14-V18 WeakPolarHBondContact O-CB 3.48Å; A14-V18 VanDerWaalsContact O-CG2 3.23Å; A14-V18 WeakPolarHBondContact O-CG2 3.23Å; A14-V18 PolarHBondContact O-N 3.48Å; A15-V18 PolarHBondContact O-N 2.88Å; C16-V18 VanDerWaalsContact C-N 3.34Å; C16-V18 PolarHBondContact O-N 2.93Å; V18-Y21 WeakPolarHBondContact O-CB 3.48Å; V18-Y21 PolarHBondContact O-N 3.2Å; V18-G22 PolarHBondContact O-N 3.13Å; V18-L152 HydrophobicContact CG1-CD1 3.74Å; V18-L152 HydrophobicContact CG2-CD2 4.15Å; V18-Y159 VanDerWaalsContact CG1-O 3.27Å; V18-Y159 WeakPolarHBondContact CG1-O 3.48Å; V18-Y159 HydrophobicContact CG2-CD1 4.22Å; V18-A162 HydrophobicContact CB-CB 4.34Å; V18-A162 HydrophobicContact CG1-CB 4.14Å; V18-L163 HydrophobicContact CG1-CB 3.78Å; V18-L163 HydrophobicContact CG1-CD1 4.3Å; V18-L232 HydrophobicContact CG2-CD1 3.81Å; V18-L232 HydrophobicContact CG2-CD2 3.75Å; V18-L232 HydrophobicContact CG2-CG 4.46Å; V18-L239 HydrophobicContact CG2-CD1 4.04Å
19S94.1Very high92Very high21 Ų2140.6 Ų40.615%0.14720%0.195CC..Hα-helixtrans-67-45.6175.6-55.20000111.7A15 C16 L17 Y21 G22 L23 A162 G166A15-S19 WeakPolarHBondContact O-CB 3.27Å; A15-S19 PolarHBondContact O-N 3.37Å; A15-S19 PolarHBondContact O-OG 3.49Å; C16-S19 WeakPolarHBondContact O-CB 3.47Å; C16-S19 PolarHBondContact O-N 2.94Å; C16-S19 VanDerWaalsContact O-N 3.15Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.45Å; S19-Y21 VanDerWaalsContact C-N 3.29Å; S19-Y21 PolarHBondContact O-N 2.9Å; S19-G22 PolarHBondContact O-N 2.83Å; S19-L23 PolarHBondContact O-N 3.25Å; S19-A162 WeakPolarHBondContact CA-O 3.41Å; S19-A162 PolarHBondContact OG-O 3.25Å; S19-G166 WeakPolarHBondContact O-CA 3.47Å
20L95.5Very high93Very high48 Ų4832.7 Ų32.725%0.25116%0.162SC..Hα-helixtrans-65-34.8175.7-70.9176.7000112.2C16 L17 L23 L224 S225 A228C16-L20 WeakPolarHBondContact O-CG 3.39Å; C16-L20 PolarHBondContact O-N 3.25Å; L17-L20 PolarHBondContact O-N 2.81Å; L20-L23 HydrophobicContact CD2-CD2 4.48Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L224 HydrophobicContact CD1-CD1 4.32Å; L20-L224 HydrophobicContact CD1-CD2 4.5Å; L20-L224 HydrophobicContact CD1-CG 4.35Å; L20-L224 HydrophobicContact CD2-CD2 3.78Å; L20-L224 HydrophobicContact CD2-CG 4.27Å; L20-S225 WeakPolarHBondContact O-CA 3.27Å; L20-S225 WeakPolarHBondContact O-CB 3.37Å; L20-S225 PolarHBondContact O-OG 3.16Å; L20-S225 VanDerWaalsContact O-OG 3.06Å; L20-A228 HydrophobicContact CB-CB 3.64Å; L20-A228 HydrophobicContact CD1-CB 4.44Å
21Y94.2Very high93.6Very high0 Ų029.6 Ų29.60%015%0.148CC..Hα-helixtrans-64.3-47.5171.6162.7-123.1000111.8L17 V18 S19 L23 G24 N94 L98 F148 L163 F229 L232L17-Y21 WeakPolarHBondContact O-CB 3.38Å; L17-Y21 PolarHBondContact O-N 3.36Å; V18-Y21 WeakPolarHBondContact O-CB 3.48Å; V18-Y21 PolarHBondContact O-N 3.2Å; S19-Y21 VanDerWaalsContact C-N 3.29Å; S19-Y21 PolarHBondContact O-N 2.9Å; Y21-L23 VanDerWaalsContact C-N 3.26Å; Y21-L23 PolarHBondContact O-N 3.41Å; Y21-G24 PolarHBondContact O-N 3.4Å; Y21-N94 PolarHBondContact OH-ND2 3.36Å; Y21-N94 PolarHBondContact OH-OD1 2.95Å; Y21-L98 HydrophobicContact CD2-CD1 4.14Å; Y21-L98 HydrophobicContact CE2-CD1 4.1Å; Y21-F148 HydrophobicContact CD1-CD2 4.44Å; Y21-F148 HydrophobicContact CD2-CD2 4.28Å; Y21-F148 AromaticContact CD2-CE2 3.92Å; Y21-F148 HydrophobicContact CD2-CE2 3.92Å; Y21-F148 HydrophobicContact CD2-CZ 4.09Å; Y21-F148 HydrophobicContact CE1-CB 3.88Å; Y21-F148 HydrophobicContact CE1-CD1 4.37Å; Y21-F148 AromaticContact CE1-CD2 3.92Å; Y21-F148 HydrophobicContact CE1-CD2 3.92Å; Y21-F148 AromaticContact CE1-CG 3.82Å; Y21-F148 HydrophobicContact CE1-CG 3.82Å; Y21-F148 AromaticContact CE2-CD1 3.75Å; Y21-F148 HydrophobicContact CE2-CD1 3.75Å; Y21-F148 AromaticContact CE2-CD2 3.72Å; Y21-F148 HydrophobicContact CE2-CD2 3.72Å; Y21-F148 AromaticContact CE2-CE1 3.51Å; Y21-F148 HydrophobicContact CE2-CE1 3.51Å; Y21-F148 AromaticContact CE2-CE2 3.5Å; Y21-F148 HydrophobicContact CE2-CE2 3.5Å; Y21-F148 AromaticContact CE2-CG 3.83Å; Y21-F148 HydrophobicContact CE2-CG 3.83Å; Y21-F148 AromaticContact CE2-CZ 3.38Å; Y21-F148 HydrophobicContact CE2-CZ 3.38Å; Y21-F148 AromaticContact CZ-CD1 3.42Å; Y21-F148 VanDerWaalsContact CZ-CD1 3.42Å; Y21-F148 AromaticContact CZ-CD2 3.54Å; Y21-F148 AromaticContact CZ-CE1 3.72Å; Y21-F148 AromaticContact CZ-CE2 3.86Å; Y21-F148 AromaticContact CZ-CG 3.29Å; Y21-F148 AromaticContact CZ-CZ 3.93Å; Y21-F148 WeakPolarHBondContact O-CE2 3.47Å; Y21-F148 WeakPolarHBondContact OH-CA 3.47Å; Y21-F148 WeakPolarHBondContact OH-CB 3.42Å; Y21-F148 WeakPolarHBondContact OH-CD1 3.25Å; Y21-F148 WeakPolarHBondContact OH-CE1 3.17Å; Y21-F148 WeakPolarHBondContact OH-CG 3.21Å; Y21-L163 HydrophobicContact CD1-CD1 3.73Å; Y21-L163 HydrophobicContact CE1-CD1 3.83Å; Y21-F229 HydrophobicContact CD2-CB 3.93Å; Y21-F229 AromaticContact CD2-CD2 3.79Å; Y21-F229 HydrophobicContact CD2-CD2 3.79Å; Y21-F229 HydrophobicContact CD2-CG 4.14Å; Y21-F229 HydrophobicContact CE1-CD2 4.45Å; Y21-F229 HydrophobicContact CE2-CB 4.39Å; Y21-F229 AromaticContact CE2-CD2 3.62Å; Y21-F229 HydrophobicContact CE2-CD2 3.62Å; Y21-F229 HydrophobicContact CE2-CE2 4.19Å; Y21-F229 HydrophobicContact CE2-CG 4.13Å; Y21-F229 HydrophobicContact CG-CD2 4.27Å; Y21-F229 AromaticContact CZ-CD2 3.94Å; Y21-L232 HydrophobicContact CD1-CD2 4.5Å
22G93.2Very high93.9Very high0 Ų027.8 Ų27.80%014%0.137CC..Hα-helixtrans-62.3-30.5176.200000113.7V18 S19 G24 S25V18-G22 PolarHBondContact O-N 3.13Å; S19-G22 PolarHBondContact O-N 2.83Å; G22-G24 PolarHBondContact O-N 3.13Å; G22-S25 VanDerWaalsContact O-CB 3.26Å; G22-S25 WeakPolarHBondContact O-CB 3.21Å; G22-S25 PolarHBondContact O-N 3.09Å; G22-S25 VanDerWaalsContact O-N 3.11Å; G22-S25 PolarHBondContact O-OG 3.28Å
23L94Very high94.1Very high16 Ų1620.1 Ų20.18%0.08411%0.108CC..Hα-helixtrans-56.6-33.8176-177.760.9000113S19 L20 Y21 S25 I27 G166 F169 S170 V173 V221S19-L23 PolarHBondContact O-N 3.25Å; L20-L23 HydrophobicContact CD2-CD2 4.48Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; Y21-L23 VanDerWaalsContact C-N 3.26Å; Y21-L23 PolarHBondContact O-N 3.41Å; L23-S25 PolarHBondContact O-N 2.84Å; L23-I27 HydrophobicContact CD1-CD1 4.4Å; L23-G166 VanDerWaalsContact CA-O 3.32Å; L23-G166 WeakPolarHBondContact CA-O 3.32Å; L23-F169 HydrophobicContact CD1-CB 3.62Å; L23-F169 WeakPolarHBondContact CD1-O 3.38Å; L23-S170 VanDerWaalsContact O-CB 3.28Å; L23-S170 WeakPolarHBondContact O-CB 3.19Å; L23-V173 HydrophobicContact CD1-CG2 4.16Å; L23-V221 HydrophobicContact CD2-CG1 3.51Å; L23-V221 HydrophobicContact CG-CG1 3.72Å
24G92.6Very high94.3Very high1 Ų115.8 Ų15.81%0.019%0.085CC..THydrogen-bonded Turntrans-75.2-2.8-179.900000115.2Y21 G22 S225Y21-G24 PolarHBondContact O-N 3.4Å; G22-G24 PolarHBondContact O-N 3.13Å; G24-S225 WeakPolarHBondContact CA-OG 3.44Å; G24-S225 PolarHBondContact N-OG 3.31Å
25S91.6Very high94.5Very high5 Ų515.8 Ų15.84%0.0359%0.085CC..THydrogen-bonded Turntrans-72.6-37.8-168.756.70000115.5G22 L23 D141 S144G22-S25 VanDerWaalsContact O-CB 3.26Å; G22-S25 WeakPolarHBondContact O-CB 3.21Å; G22-S25 PolarHBondContact O-N 3.09Å; G22-S25 VanDerWaalsContact O-N 3.11Å; G22-S25 PolarHBondContact O-OG 3.28Å; L23-S25 PolarHBondContact O-N 2.84Å; S25-D141 WeakPolarHBondContact O-CA 3.27Å; S25-D141 WeakPolarHBondContact O-CB 3.42Å; S25-D141 VanDerWaalsContact O-CG 3.3Å; S25-D141 VanDerWaalsContact O-OD1 3.09Å; S25-S144 PolarHBondContact O-OG 3.44Å
26W92.8Very high94.8Very high50 Ų5015.4 Ų15.419%0.1898%0.082CC..SBendtrans-131.18.1-177.5-81.774.1000113.1V28 V29 N30 D141 S145W26-V28 VanDerWaalsContact C-N 3.26Å; W26-V28 PolarHBondContact O-N 3.39Å; W26-V29 HydrophobicContact CE3-CG1 4.37Å; W26-V29 HydrophobicContact CZ3-CG1 4.42Å; W26-V29 PolarHBondContact O-N 3.13Å; W26-N30 VanDerWaalsContact O-CB 3.25Å; W26-N30 WeakPolarHBondContact O-CB 3.47Å; W26-N30 VanDerWaalsContact O-CG 3.24Å; W26-N30 PolarHBondContact O-N 2.86Å; W26-N30 PolarHBondContact O-ND2 3.36Å; W26-D141 HydrophobicContact CD2-CB 4.36Å; W26-D141 HydrophobicContact CG-CB 4.46Å; W26-S145 PolarHBondContact NE1-OG 3.25Å
27I94.7Very high94.8Very high0 Ų012.3 Ų12.30%06%0.061CC..Hα-helixtrans-60.3-33.3-168.2-166.173.8000112.9L23 G31 V173 P174 L218 V221 L222L23-I27 HydrophobicContact CD1-CD1 4.4Å; I27-G31 PolarHBondContact O-N 2.98Å; I27-V173 HydrophobicContact CD1-CB 4.26Å; I27-V173 HydrophobicContact CD1-CG1 4.4Å; I27-P174 HydrophobicContact CD1-CG 3.46Å; I27-P174 VanDerWaalsContact CD1-CG 3.46Å; I27-P174 HydrophobicContact CG1-CG 4.24Å; I27-L218 HydrophobicContact CD1-CD2 4.43Å; I27-L218 HydrophobicContact CG1-CD2 4.17Å; I27-V221 HydrophobicContact CD1-CG1 4.15Å; I27-V221 HydrophobicContact CG1-CB 4.49Å; I27-V221 HydrophobicContact CG1-CG1 4.1Å; I27-L222 HydrophobicContact CG2-CD1 4.3Å; I27-L222 HydrophobicContact CG2-CD2 3.48Å; I27-L222 VanDerWaalsContact CG2-CD2 3.48Å; I27-L222 HydrophobicContact CG2-CG 3.68Å
28V95.5Very high94.8Very high4 Ų412.3 Ų12.32%0.0246%0.061CC..Hα-helixtrans-77.6-50.5-176.8-174.30000110.8W26 N30 G31 L32 C105 I108 A137 L222W26-V28 VanDerWaalsContact C-N 3.26Å; W26-V28 PolarHBondContact O-N 3.39Å; V28-N30 VanDerWaalsContact C-N 3.32Å; V28-N30 PolarHBondContact O-N 3.03Å; V28-G31 WeakPolarHBondContact O-CA 3.48Å; V28-G31 PolarHBondContact O-N 3.07Å; V28-G31 VanDerWaalsContact O-N 3.16Å; V28-L32 WeakPolarHBondContact O-CG 3.46Å; V28-L32 PolarHBondContact O-N 2.71Å; V28-C105 HydrophobicContact CG2-CB 4.13Å; V28-I108 HydrophobicContact CG1-CD1 3.8Å; V28-A137 HydrophobicContact CB-CB 4.07Å; V28-A137 HydrophobicContact CG1-CB 3.56Å; V28-L222 HydrophobicContact CG2-CD1 3.6Å; V28-L222 HydrophobicContact CG2-CG 4.48Å
29V94.7Very high94.9Very high7 Ų712.4 Ų12.44%0.0426%0.062CC..Hα-helixtrans-62.1-42.4177.3168.70000110.9W26 G31 L32 W33 V57 D141W26-V29 HydrophobicContact CE3-CG1 4.37Å; W26-V29 HydrophobicContact CZ3-CG1 4.42Å; W26-V29 PolarHBondContact O-N 3.13Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 2.99Å; V29-L32 PolarHBondContact O-N 3.24Å; V29-W33 PolarHBondContact O-N 3.1Å; V29-V57 HydrophobicContact CG1-CG2 4.24Å; V29-D141 WeakPolarHBondContact CB-OD2 3.47Å; V29-D141 HydrophobicContact CG2-CB 4.29Å; V29-D141 WeakPolarHBondContact CG2-OD2 3.36Å; V29-D141 PolarHBondContact N-OD2 2.8Å; V29-D141 VanDerWaalsContact N-OD2 3.16Å
30N94.6Very high95Very high16 Ų1611.7 Ų11.79%0.0866%0.056CC..Hα-helixtrans-63.6-38.1174.5-71.7-20.7000112.3W26 V28 W33 V34 S170 D171 P174W26-N30 VanDerWaalsContact O-CB 3.25Å; W26-N30 WeakPolarHBondContact O-CB 3.47Å; W26-N30 VanDerWaalsContact O-CG 3.24Å; W26-N30 PolarHBondContact O-N 2.86Å; W26-N30 PolarHBondContact O-ND2 3.36Å; V28-N30 VanDerWaalsContact C-N 3.32Å; V28-N30 PolarHBondContact O-N 3.03Å; N30-W33 PolarHBondContact O-N 3.3Å; N30-V34 PolarHBondContact O-N 2.85Å; N30-V34 VanDerWaalsContact O-N 3.12Å; N30-S170 WeakPolarHBondContact CB-O 3.49Å; N30-S170 PolarHBondContact ND2-O 3.37Å; N30-S170 PolarHBondContact ND2-OG 3.47Å; N30-D171 PolarHBondContact ND2-OD1 2.88Å; N30-D171 PolarHBondContact OD1-OD1 3.19Å; N30-P174 HydrophobicContact CB-CG 4.35Å
31G96.5Very high94.8Very high1 Ų111.4 Ų11.41%0.016%0.055CC..Hα-helixtrans-57.5-49.317100000113.3I27 V28 V29 W33 V34 E35I27-G31 PolarHBondContact O-N 2.98Å; V28-G31 WeakPolarHBondContact O-CA 3.48Å; V28-G31 PolarHBondContact O-N 3.07Å; V28-G31 VanDerWaalsContact O-N 3.16Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 2.99Å; G31-W33 VanDerWaalsContact C-N 3.25Å; G31-W33 PolarHBondContact O-N 3.26Å; G31-V34 WeakPolarHBondContact O-CG2 3.29Å; G31-V34 PolarHBondContact O-N 2.9Å; G31-E35 WeakPolarHBondContact O-CG 3.24Å; G31-E35 PolarHBondContact O-N 3.22Å
32L96.2Very high94.7Very high12 Ų1215.6 Ų15.66%0.0638%0.08CC..Hα-helixtrans-61.4-36176.9-70.6178.8000112.2V28 V29 E35 L36 I108 L130 A134V28-L32 WeakPolarHBondContact O-CG 3.46Å; V28-L32 PolarHBondContact O-N 2.71Å; V29-L32 PolarHBondContact O-N 3.24Å; L32-E35 PolarHBondContact O-N 2.63Å; L32-L36 PolarHBondContact O-N 3.25Å; L32-I108 HydrophobicContact CD1-CD1 4.36Å; L32-I108 HydrophobicContact CD2-CG2 3.93Å; L32-L130 HydrophobicContact CD1-CD1 4.39Å; L32-L130 HydrophobicContact CD2-CD1 3.84Å; L32-A134 HydrophobicContact CD1-CB 3.89Å
33W95.8Very high94.8Very high48 Ų4816 Ų1618%0.1828%0.083CC..Hα-helixtrans-64.6-45.6176.8-85.7160.8000114.1V29 N30 G31 E35 L36 P50 L53 I54 P337V29-W33 PolarHBondContact O-N 3.1Å; N30-W33 PolarHBondContact O-N 3.3Å; G31-W33 VanDerWaalsContact C-N 3.25Å; G31-W33 PolarHBondContact O-N 3.26Å; W33-E35 PolarHBondContact O-N 2.92Å; W33-L36 HydrophobicContact CD2-CD1 3.93Å; W33-L36 HydrophobicContact CE3-CD1 3.03Å; W33-L36 HydrophobicContact CE3-CD2 3.89Å; W33-L36 HydrophobicContact CE3-CG 3.51Å; W33-L36 HydrophobicContact CH2-CD1 4.14Å; W33-L36 HydrophobicContact CZ3-CD1 3.17Å; W33-L36 HydrophobicContact CZ3-CD2 3.8Å; W33-L36 HydrophobicContact CZ3-CG 3.82Å; W33-L36 WeakPolarHBondContact O-CB 3.42Å; W33-L36 WeakPolarHBondContact O-CG 3.39Å; W33-L36 PolarHBondContact O-N 3.1Å; W33-P50 HydrophobicContact CH2-CB 3.68Å; W33-P50 WeakPolarHBondContact CH2-O 3.41Å; W33-P50 HydrophobicContact CZ3-CB 3.78Å; W33-L53 HydrophobicContact CE3-CD1 4.15Å; W33-L53 HydrophobicContact CH2-CB 4.07Å; W33-L53 HydrophobicContact CZ3-CB 3.9Å; W33-L53 HydrophobicContact CZ3-CD1 3.78Å; W33-L53 HydrophobicContact CZ3-CG 4.48Å; W33-I54 HydrophobicContact CH2-CD1 3.85Å; W33-I54 HydrophobicContact CH2-CG1 3.56Å; W33-I54 HydrophobicContact CZ2-CD1 3.91Å; W33-I54 HydrophobicContact CZ2-CG1 3.39Å; W33-P337 HydrophobicContact CH2-CB 4.33Å; W33-P337 HydrophobicContact CZ2-CB 3.77Å
34V96.8Very high94.8Very high8 Ų818.3 Ų18.35%0.04810%0.098CC..Hα-helixtrans-70.3-20.9178.6-59.80000113.3N30 G31 P37 P174 A178 F214 V356N30-V34 PolarHBondContact O-N 2.85Å; N30-V34 VanDerWaalsContact O-N 3.12Å; G31-V34 WeakPolarHBondContact O-CG2 3.29Å; G31-V34 PolarHBondContact O-N 2.9Å; V34-P37 VanDerWaalsContact O-CD 3.29Å; V34-P37 WeakPolarHBondContact O-CD 3.25Å; V34-P174 HydrophobicContact CG2-CB 3.81Å; V34-A178 HydrophobicContact CB-CB 3.79Å; V34-A178 HydrophobicContact CG2-CB 3.83Å; V34-F214 HydrophobicContact CG2-CE1 4.06Å; V34-F214 HydrophobicContact CG2-CE2 4.21Å; V34-F214 HydrophobicContact CG2-CZ 3.42Å; V34-F214 VanDerWaalsContact CG2-CZ 3.42Å; V34-V356 HydrophobicContact CB-CG1 4.36Å; V34-V356 HydrophobicContact CG1-CG1 4.07Å
35E96.9Very high94.9Very high1 Ų119.4 Ų19.41%0.00510%0.103CC..Hα-helixtrans-83.3-11.2174.1-68.4-61.1112.700113.9G31 L32 W33 P37 L38 L39 Q181 V211 F214G31-E35 WeakPolarHBondContact O-CG 3.24Å; G31-E35 PolarHBondContact O-N 3.22Å; L32-E35 PolarHBondContact O-N 2.63Å; W33-E35 PolarHBondContact O-N 2.92Å; E35-P37 VanDerWaalsContact C-N 3.32Å; E35-L38 WeakPolarHBondContact O-CB 3.25Å; E35-L38 PolarHBondContact O-N 3.45Å; E35-L39 HydrophobicContact CB-CD1 4.03Å; E35-L39 HydrophobicContact CB-CG 4.22Å; E35-L39 PolarHBondContact O-N 3.37Å; E35-Q181 PolarHBondContact OE1-OE1 2.92Å; E35-Q181 PolarHBondContact OE2-NE2 2.94Å; E35-Q181 VanDerWaalsContact OE2-NE2 3.07Å; E35-V211 HydrophobicContact CG-CG1 4.32Å; E35-V211 WeakPolarHBondContact OE2-CA 3.34Å; E35-V211 WeakPolarHBondContact OE2-CG1 3.35Å; E35-V211 WeakPolarHBondContact OE2-CG2 3.13Å; E35-F214 VanDerWaalsContact CD-CD1 3.45Å; E35-F214 HydrophobicContact CG-CD1 3.48Å; E35-F214 VanDerWaalsContact CG-CD1 3.48Å; E35-F214 HydrophobicContact CG-CE1 3.58Å; E35-F214 HydrophobicContact CG-CG 4.16Å; E35-F214 HydrophobicContact CG-CZ 4.34Å; E35-F214 WeakPolarHBondContact OE1-CD1 3.3Å; E35-F214 VanDerWaalsContact OE1-CD2 3.27Å; E35-F214 WeakPolarHBondContact OE1-CD2 3.22Å; E35-F214 WeakPolarHBondContact OE1-CE2 3.43Å; E35-F214 WeakPolarHBondContact OE1-CG 3.3Å
36L96.7Very high95Very high0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-49.9-42.6-179.9-76.7174.7000114.9L32 W33 L38 L39 V40 L49 P50 L53 Y352L32-L36 PolarHBondContact O-N 3.25Å; W33-L36 HydrophobicContact CD2-CD1 3.93Å; W33-L36 HydrophobicContact CE3-CD1 3.03Å; W33-L36 HydrophobicContact CE3-CD2 3.89Å; W33-L36 HydrophobicContact CE3-CG 3.51Å; W33-L36 HydrophobicContact CH2-CD1 4.14Å; W33-L36 HydrophobicContact CZ3-CD1 3.17Å; W33-L36 HydrophobicContact CZ3-CD2 3.8Å; W33-L36 HydrophobicContact CZ3-CG 3.82Å; W33-L36 WeakPolarHBondContact O-CB 3.42Å; W33-L36 WeakPolarHBondContact O-CG 3.39Å; W33-L36 PolarHBondContact O-N 3.1Å; L36-L38 PolarHBondContact O-N 3.02Å; L36-L38 VanDerWaalsContact O-N 3.1Å; L36-L39 PolarHBondContact O-N 3.13Å; L36-L39 VanDerWaalsContact O-N 3.16Å; L36-V40 VanDerWaalsContact O-CG1 3.29Å; L36-V40 WeakPolarHBondContact O-CG1 3.23Å; L36-V40 VanDerWaalsContact O-CG2 3.31Å; L36-V40 WeakPolarHBondContact O-CG2 3.22Å; L36-V40 PolarHBondContact O-N 3.47Å; L36-L49 HydrophobicContact CD2-CD2 3.95Å; L36-L49 HydrophobicContact CD2-CG 4.27Å; L36-P50 HydrophobicContact CD1-CB 4.15Å; L36-P50 HydrophobicContact CD1-CG 3.85Å; L36-P50 HydrophobicContact CD2-CG 4.07Å; L36-L53 HydrophobicContact CD2-CD1 3.91Å; L36-Y352 HydrophobicContact CB-CE1 4.3Å; L36-Y352 WeakPolarHBondContact CB-OH 3.5Å; L36-Y352 WeakPolarHBondContact CD1-OH 3.27Å
37P95.9Very high95.1Very high1 Ų118.7 Ų18.71%0.00611%0.106CC..Hα-helixtrans-56.6-25.5178.4-24.735.7000113.9V34 E35 N41 V183 Y352 H353 V356V34-P37 VanDerWaalsContact O-CD 3.29Å; V34-P37 WeakPolarHBondContact O-CD 3.25Å; E35-P37 VanDerWaalsContact C-N 3.32Å; P37-N41 PolarHBondContact O-ND2 2.82Å; P37-N41 VanDerWaalsContact O-ND2 3.11Å; P37-V183 HydrophobicContact CB-CG1 4.03Å; P37-Y352 HydrophobicContact CB-CD1 3.8Å; P37-Y352 HydrophobicContact CB-CE1 4.3Å; P37-Y352 HydrophobicContact CB-CG 4.15Å; P37-Y352 HydrophobicContact CG-CD1 3.9Å; P37-Y352 HydrophobicContact CG-CD2 4.26Å; P37-Y352 HydrophobicContact CG-CE1 4.16Å; P37-Y352 HydrophobicContact CG-CE2 4.49Å; P37-Y352 HydrophobicContact CG-CG 3.96Å; P37-H353 HydrophobicContact CB-CB 4.2Å; P37-H353 HydrophobicContact CG-CB 4.31Å; P37-V356 HydrophobicContact CG-CG2 4.38Å
38L95.6Very high95.1Very high19 Ų1919 Ų1910%0.09911%0.109CC..Hα-helixtrans-87.8-48.6172.5-66.5173.9000111.4E35 L36 V40 N41 V183 P207 V211E35-L38 WeakPolarHBondContact O-CB 3.25Å; E35-L38 PolarHBondContact O-N 3.45Å; L36-L38 PolarHBondContact O-N 3.02Å; L36-L38 VanDerWaalsContact O-N 3.1Å; L38-V40 PolarHBondContact O-N 3.46Å; L38-N41 PolarHBondContact O-N 2.82Å; L38-V183 HydrophobicContact CD2-CB 4.05Å; L38-V183 HydrophobicContact CD2-CG1 3.93Å; L38-V183 HydrophobicContact CG-CG1 4.07Å; L38-P207 HydrophobicContact CD1-CB 4.16Å; L38-P207 HydrophobicContact CD1-CG 4.01Å; L38-P207 HydrophobicContact CD2-CB 4.47Å; L38-P207 HydrophobicContact CD2-CG 4.39Å; L38-V211 HydrophobicContact CB-CG2 4.17Å; L38-V211 HydrophobicContact CD1-CG2 3.97Å
39L95.9Very high95.2Very high2 Ų218.8 Ų18.81%0.0111%0.108CC..Hα-helixtrans-61.6-39.6-173.9-67.6176.5000113E35 L36 N41 V42 L43 L49 W112 L130 V211E35-L39 HydrophobicContact CB-CD1 4.03Å; E35-L39 HydrophobicContact CB-CG 4.22Å; E35-L39 PolarHBondContact O-N 3.37Å; L36-L39 PolarHBondContact O-N 3.13Å; L36-L39 VanDerWaalsContact O-N 3.16Å; L39-N41 PolarHBondContact O-N 2.84Å; L39-N41 VanDerWaalsContact O-N 3.13Å; L39-V42 WeakPolarHBondContact O-CG2 3.28Å; L39-V42 PolarHBondContact O-N 2.74Å; L39-L43 HydrophobicContact CB-CD1 4.11Å; L39-L43 HydrophobicContact CD2-CD1 4.13Å; L39-L43 WeakPolarHBondContact O-CB 3.47Å; L39-L43 WeakPolarHBondContact O-CG 3.23Å; L39-L43 PolarHBondContact O-N 3.27Å; L39-L49 HydrophobicContact CB-CD2 3.66Å; L39-W112 HydrophobicContact CD2-CD2 4.22Å; L39-W112 HydrophobicContact CD2-CE3 3.46Å; L39-W112 VanDerWaalsContact CD2-CE3 3.46Å; L39-W112 HydrophobicContact CD2-CZ3 3.67Å; L39-L130 HydrophobicContact CD1-CD2 4.37Å; L39-V211 HydrophobicContact CD2-CG1 4.08Å
40V94.9Very high95.3Very high6 Ų618.4 Ų18.44%0.03611%0.106CC..Hα-helixtrans-64-18-179.6-61.70000113.5L36 L38 G46 L49 Y352L36-V40 VanDerWaalsContact O-CG1 3.29Å; L36-V40 WeakPolarHBondContact O-CG1 3.23Å; L36-V40 VanDerWaalsContact O-CG2 3.31Å; L36-V40 WeakPolarHBondContact O-CG2 3.22Å; L36-V40 PolarHBondContact O-N 3.47Å; L38-V40 PolarHBondContact O-N 3.46Å; V40-G46 WeakPolarHBondContact CB-O 3.35Å; V40-G46 WeakPolarHBondContact CG1-O 3.18Å; V40-G46 VanDerWaalsContact O-CA 3.31Å; V40-G46 WeakPolarHBondContact O-CA 3.24Å; V40-L49 HydrophobicContact CG1-CB 4.18Å; V40-L49 HydrophobicContact CG1-CD2 4.33Å; V40-Y352 HydrophobicContact CG1-CE1 4.3Å; V40-Y352 HydrophobicContact CG2-CD1 4.45Å; V40-Y352 HydrophobicContact CG2-CE1 4.04Å
41N91.6Very high95.4Very high43 Ų4317.7 Ų17.723%0.2310%0.102CC..Hα-helixtrans-88.8-20-179.6-70.6-29.9000112.8P37 L38 L39 F204P37-N41 PolarHBondContact O-ND2 2.82Å; P37-N41 VanDerWaalsContact O-ND2 3.11Å; L38-N41 PolarHBondContact O-N 2.82Å; L39-N41 PolarHBondContact O-N 2.84Å; L39-N41 VanDerWaalsContact O-N 3.13Å; N41-F204 HydrophobicContact CB-CD1 3.82Å; N41-F204 HydrophobicContact CB-CD2 4.4Å; N41-F204 HydrophobicContact CB-CE1 3.68Å; N41-F204 HydrophobicContact CB-CE2 4.27Å; N41-F204 HydrophobicContact CB-CG 4.19Å; N41-F204 HydrophobicContact CB-CZ 3.92Å
42V91.8Very high95.3Very high87 Ų8719.4 Ų19.453%0.52711%0.108SC..Hα-helixtrans-116.8-21.9-173-62.90000113.5L39 W112L39-V42 WeakPolarHBondContact O-CG2 3.28Å; L39-V42 PolarHBondContact O-N 2.74Å; V42-W112 HydrophobicContact CG2-CH2 4.01Å; V42-W112 HydrophobicContact CG2-CZ3 3.69Å
43L95.3Very high95.4Very high10 Ų1019.1 Ų19.15%0.05211%0.107CC..SBendtrans-92.3146.2179.6-65-174.5000112L39 E45 G46 L49 W112 L130L39-L43 HydrophobicContact CB-CD1 4.11Å; L39-L43 HydrophobicContact CD2-CD1 4.13Å; L39-L43 WeakPolarHBondContact O-CB 3.47Å; L39-L43 WeakPolarHBondContact O-CG 3.23Å; L39-L43 PolarHBondContact O-N 3.27Å; L43-E45 VanDerWaalsContact C-N 3.26Å; L43-E45 PolarHBondContact O-N 3.14Å; L43-G46 PolarHBondContact O-N 3.01Å; L43-G46 VanDerWaalsContact O-N 3.11Å; L43-L49 HydrophobicContact CB-CD2 4.5Å; L43-L49 HydrophobicContact CD1-CD1 4.23Å; L43-L49 HydrophobicContact CD1-CD2 3.8Å; L43-W112 HydrophobicContact CD2-CE3 4.15Å; L43-W112 HydrophobicContact CD2-CZ3 4.09Å; L43-L130 HydrophobicContact CD1-CD2 3.49Å; L43-L130 VanDerWaalsContact CD1-CD2 3.49Å
44P94.2Very high95.4Very high63 Ų6317 Ų1741%0.40910%0.099SC..THydrogen-bonded Turntrans-63.5-23.7-171.124.8-36.7000115G46 V115 Y125 S127P44-G46 PolarHBondContact O-N 2.9Å; P44-V115 HydrophobicContact CG-CG1 3.95Å; P44-Y125 VanDerWaalsContact CB-O 3.24Å; P44-Y125 WeakPolarHBondContact CB-O 3.36Å; P44-Y125 VanDerWaalsContact CG-O 3.3Å; P44-Y125 WeakPolarHBondContact CG-O 3.35Å; P44-S127 WeakPolarHBondContact CD-OG 3.43Å
45E93.9Very high95.3Very high24 Ų2418.4 Ų18.411%0.11211%0.106CC..THydrogen-bonded Turntrans-71.3-17.5177.8-62.781.5-175.500113.3L43 G48 L49 Y52 Y126 S127 F131L43-E45 VanDerWaalsContact C-N 3.26Å; L43-E45 PolarHBondContact O-N 3.14Å; E45-G48 PolarHBondContact O-N 3.19Å; E45-G48 VanDerWaalsContact O-N 3.11Å; E45-L49 HydrophobicContact CB-CB 4Å; E45-L49 HydrophobicContact CB-CD1 4.23Å; E45-L49 HydrophobicContact CG-CD1 4.37Å; E45-Y52 HydrophobicContact CB-CD2 4.14Å; E45-Y52 HydrophobicContact CB-CE2 4.13Å; E45-Y52 HydrophobicContact CG-CD2 3.8Å; E45-Y52 HydrophobicContact CG-CE2 3.79Å; E45-Y52 HydrophobicContact CG-CG 4.46Å; E45-Y126 HydrophobicContact CG-CD1 4.33Å; E45-Y126 VanDerWaalsContact OE1-CA 3.24Å; E45-Y126 WeakPolarHBondContact OE1-CA 3.37Å; E45-S127 PolarHBondContact OE1-N 3.06Å; E45-S127 PolarHBondContact OE1-OG 3.13Å; E45-S127 PolarHBondContact OE2-OG 3.17Å; E45-F131 HydrophobicContact CG-CZ 3.87Å; E45-F131 WeakPolarHBondContact OE1-CE2 3.13Å; E45-F131 WeakPolarHBondContact OE1-CZ 3.34Å
46G93.9Very high95.3Very high20 Ų2019.4 Ų19.421%0.20611%0.111CC..G310 helixtrans58.2-137.6-178.700000112.3V40 L43 P44 G48 L49V40-G46 WeakPolarHBondContact CB-O 3.35Å; V40-G46 WeakPolarHBondContact CG1-O 3.18Å; V40-G46 VanDerWaalsContact O-CA 3.31Å; V40-G46 WeakPolarHBondContact O-CA 3.24Å; L43-G46 PolarHBondContact O-N 3.01Å; L43-G46 VanDerWaalsContact O-N 3.11Å; P44-G46 PolarHBondContact O-N 2.9Å; G46-G48 PolarHBondContact O-N 2.96Å; G46-G48 VanDerWaalsContact O-N 3.11Å; G46-L49 VanDerWaalsContact O-CB 3.28Å; G46-L49 WeakPolarHBondContact O-CB 3.31Å; G46-L49 PolarHBondContact O-N 2.74Å; G46-L49 VanDerWaalsContact O-N 3.07Å
47W95.3Very high95.2Very high20 Ų2020.3 Ų20.38%0.07612%0.116CC..G310 helixtrans-66.4-11.4178-66.611.9000113.7L49 P50 S341 Y342 A345 A346 S448 K525W47-L49 VanDerWaalsContact C-N 3.32Å; W47-P50 VanDerWaalsContact O-CD 3.25Å; W47-P50 WeakPolarHBondContact O-CD 3.26Å; W47-S341 WeakPolarHBondContact O-CB 3.25Å; W47-S341 PolarHBondContact O-OG 3.34Å; W47-Y342 HydrophobicContact CB-CD1 4.46Å; W47-Y342 HydrophobicContact CB-CE1 3.99Å; W47-Y342 HydrophobicContact CB-CE2 4.19Å; W47-Y342 AromaticContact CE3-CD1 3.73Å; W47-Y342 HydrophobicContact CE3-CD1 3.73Å; W47-Y342 HydrophobicContact CE3-CE1 4.19Å; W47-Y342 HydrophobicContact CE3-CG 4.21Å; W47-Y342 HydrophobicContact CZ3-CD1 4.44Å; W47-Y342 WeakPolarHBondContact O-CE2 3.47Å; W47-A345 HydrophobicContact CD2-CB 4.03Å; W47-A345 HydrophobicContact CE3-CB 4.34Å; W47-A345 VanDerWaalsContact CH2-C 3.42Å; W47-A345 HydrophobicContact CH2-CB 3.88Å; W47-A345 HydrophobicContact CZ2-CB 3.46Å; W47-A345 VanDerWaalsContact CZ2-CB 3.46Å; W47-A345 HydrophobicContact CZ3-CB 4.26Å; W47-A346 HydrophobicContact CH2-CB 3.95Å; W47-A346 VanDerWaalsContact CH2-N 3.28Å; W47-A346 HydrophobicContact CZ3-CB 4.07Å; W47-S448 WeakPolarHBondContact CZ3-OG 3.24Å; W47-K525 HydrophobicContact CH2-CB 3.68Å; W47-K525 HydrophobicContact CZ2-CB 3.96Å
48G95.3Very high95.1Very high6 Ų621.5 Ų21.56%0.06212%0.122CC..G310 helixtrans-79.3-12173.400000113.8E45 G46 P50 A51 Y52 Y342E45-G48 PolarHBondContact O-N 3.19Å; E45-G48 VanDerWaalsContact O-N 3.11Å; G46-G48 PolarHBondContact O-N 2.96Å; G46-G48 VanDerWaalsContact O-N 3.11Å; G48-P50 VanDerWaalsContact C-N 3.34Å; G48-A51 WeakPolarHBondContact O-CB 3.27Å; G48-A51 PolarHBondContact O-N 3.49Å; G48-Y52 WeakPolarHBondContact O-CD2 3.48Å; G48-Y342 PolarHBondContact N-OH 3.43Å
49L96.4Very high95Very high0 Ų025.2 Ų25.20%014%0.141CC..Hα-helixtrans-50-44-178.6-179.567.2000113.9L36 L39 V40 L43 E45 G46 W47 A51 Y52 L53 L130 F131L36-L49 HydrophobicContact CD2-CD2 3.95Å; L36-L49 HydrophobicContact CD2-CG 4.27Å; L39-L49 HydrophobicContact CB-CD2 3.66Å; V40-L49 HydrophobicContact CG1-CB 4.18Å; V40-L49 HydrophobicContact CG1-CD2 4.33Å; L43-L49 HydrophobicContact CB-CD2 4.5Å; L43-L49 HydrophobicContact CD1-CD1 4.23Å; L43-L49 HydrophobicContact CD1-CD2 3.8Å; E45-L49 HydrophobicContact CB-CB 4Å; E45-L49 HydrophobicContact CB-CD1 4.23Å; E45-L49 HydrophobicContact CG-CD1 4.37Å; G46-L49 VanDerWaalsContact O-CB 3.28Å; G46-L49 WeakPolarHBondContact O-CB 3.31Å; G46-L49 PolarHBondContact O-N 2.74Å; G46-L49 VanDerWaalsContact O-N 3.07Å; W47-L49 VanDerWaalsContact C-N 3.32Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 3.06Å; L49-Y52 PolarHBondContact O-N 3.22Å; L49-Y52 VanDerWaalsContact O-N 3.15Å; L49-L53 HydrophobicContact CD1-CG 4.47Å; L49-L53 HydrophobicContact CG-CD1 4.15Å; L49-L53 PolarHBondContact O-N 3.48Å; L49-L53 VanDerWaalsContact O-N 3.15Å; L49-L130 HydrophobicContact CD1-CD2 4.19Å; L49-L130 HydrophobicContact CD2-CD2 4.5Å; L49-F131 HydrophobicContact CD1-CE1 3.82Å; L49-F131 HydrophobicContact CD1-CZ 4.35Å
50P96.9Very high95Very high0 Ų025.1 Ų25.10%014%0.141CC..Hα-helixtrans-58.7-37.3178.3-2334.6000113.5W33 L36 W47 G48 Y52 L53 I54 P337W33-P50 HydrophobicContact CH2-CB 3.68Å; W33-P50 WeakPolarHBondContact CH2-O 3.41Å; W33-P50 HydrophobicContact CZ3-CB 3.78Å; L36-P50 HydrophobicContact CD1-CB 4.15Å; L36-P50 HydrophobicContact CD1-CG 3.85Å; L36-P50 HydrophobicContact CD2-CG 4.07Å; W47-P50 VanDerWaalsContact O-CD 3.25Å; W47-P50 WeakPolarHBondContact O-CD 3.26Å; G48-P50 VanDerWaalsContact C-N 3.34Å; P50-Y52 VanDerWaalsContact C-N 3.31Å; P50-Y52 PolarHBondContact O-N 3.02Å; P50-L53 PolarHBondContact O-N 3.01Å; P50-I54 WeakPolarHBondContact O-CD1 3.43Å; P50-I54 VanDerWaalsContact O-CG1 3.24Å; P50-I54 WeakPolarHBondContact O-CG1 3.12Å; P50-I54 PolarHBondContact O-N 3.28Å; P50-P337 VanDerWaalsContact CB-O 3.24Å; P50-P337 WeakPolarHBondContact CB-O 3.22Å
51A96.7Very high94.7Very high1 Ų125.8 Ų25.81%0.00814%0.144CC..Hα-helixtrans-62.9-37.9178.800000112.3G48 L49 I55 A338 F513 V516 V517G48-A51 WeakPolarHBondContact O-CB 3.27Å; G48-A51 PolarHBondContact O-N 3.49Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 3.06Å; A51-I55 PolarHBondContact O-N 2.8Å; A51-A338 HydrophobicContact CB-CB 4.08Å; A51-F513 HydrophobicContact CB-CD2 4.33Å; A51-V516 HydrophobicContact CB-CB 4.01Å; A51-V516 HydrophobicContact CB-CG1 3.87Å; A51-V517 HydrophobicContact CB-CG2 3.96Å
52Y96.1Very high94.5Very high36 Ų3627 Ų2714%0.14115%0.152CC..Hα-helixtrans-66.7-46.8174.5-70.8-87.1000111.8E45 G48 L49 P50 I54 I55 I56 Y126 F131 F513 V517E45-Y52 HydrophobicContact CB-CD2 4.14Å; E45-Y52 HydrophobicContact CB-CE2 4.13Å; E45-Y52 HydrophobicContact CG-CD2 3.8Å; E45-Y52 HydrophobicContact CG-CE2 3.79Å; E45-Y52 HydrophobicContact CG-CG 4.46Å; G48-Y52 WeakPolarHBondContact O-CD2 3.48Å; L49-Y52 PolarHBondContact O-N 3.22Å; L49-Y52 VanDerWaalsContact O-N 3.15Å; P50-Y52 VanDerWaalsContact C-N 3.31Å; P50-Y52 PolarHBondContact O-N 3.02Å; Y52-I54 VanDerWaalsContact C-N 3.3Å; Y52-I54 PolarHBondContact O-N 3.25Å; Y52-I55 PolarHBondContact O-N 3.35Å; Y52-I56 WeakPolarHBondContact O-CG1 3.27Å; Y52-I56 PolarHBondContact O-N 3.06Å; Y52-I56 VanDerWaalsContact O-N 3.07Å; Y52-Y126 HydrophobicContact CE1-CD1 4.46Å; Y52-Y126 HydrophobicContact CE1-CE1 4.09Å; Y52-Y126 AromaticContact CZ-CE1 3.97Å; Y52-F131 HydrophobicContact CD1-CE2 4.27Å; Y52-F131 HydrophobicContact CD1-CZ 4.08Å; Y52-F131 HydrophobicContact CD2-CZ 4.44Å; Y52-F131 HydrophobicContact CG-CE1 4.43Å; Y52-F131 HydrophobicContact CG-CE2 4.46Å; Y52-F131 AromaticContact CG-CZ 3.82Å; Y52-F131 HydrophobicContact CG-CZ 3.82Å; Y52-F513 AromaticContact CD1-CE2 3.7Å; Y52-F513 HydrophobicContact CD1-CE2 3.7Å; Y52-F513 HydrophobicContact CD1-CZ 4.34Å; Y52-F513 AromaticContact CE1-CE2 3.76Å; Y52-F513 HydrophobicContact CE1-CE2 3.76Å; Y52-F513 HydrophobicContact CE1-CZ 4.02Å; Y52-F513 HydrophobicContact CG-CE2 4.17Å; Y52-V517 HydrophobicContact CD2-CG2 4.33Å; Y52-V517 HydrophobicContact CE1-CG1 4.49Å; Y52-V517 HydrophobicContact CE2-CG1 4.35Å; Y52-V517 HydrophobicContact CE2-CG2 3.78Å; Y52-V517 VanDerWaalsContact OH-CG1 3.24Å; Y52-V517 WeakPolarHBondContact OH-CG1 3.46Å
53L96.8Very high94.3Very high7 Ų723.1 Ų23.14%0.03713%0.131CC..Hα-helixtrans-62.1-38-178.8-69.8175.6000112.2W33 L36 L49 P50 I56 V57 L130 F131 A134W33-L53 HydrophobicContact CE3-CD1 4.15Å; W33-L53 HydrophobicContact CH2-CB 4.07Å; W33-L53 HydrophobicContact CZ3-CB 3.9Å; W33-L53 HydrophobicContact CZ3-CD1 3.78Å; W33-L53 HydrophobicContact CZ3-CG 4.48Å; L36-L53 HydrophobicContact CD2-CD1 3.91Å; L49-L53 HydrophobicContact CD1-CG 4.47Å; L49-L53 HydrophobicContact CG-CD1 4.15Å; L49-L53 PolarHBondContact O-N 3.48Å; L49-L53 VanDerWaalsContact O-N 3.15Å; P50-L53 PolarHBondContact O-N 3.01Å; L53-I56 HydrophobicContact CD2-CD1 4.44Å; L53-I56 WeakPolarHBondContact O-CB 3.21Å; L53-I56 PolarHBondContact O-N 3.32Å; L53-V57 WeakPolarHBondContact O-CG2 3.06Å; L53-V57 PolarHBondContact O-N 3.04Å; L53-L130 HydrophobicContact CD2-CD2 4.41Å; L53-L130 HydrophobicContact CD2-CG 4.33Å; L53-F131 HydrophobicContact CD2-CD1 4.23Å; L53-F131 HydrophobicContact CD2-CE1 4.45Å; L53-A134 HydrophobicContact CD2-CB 3.95Å
54I96.2Very high93.8Very high3 Ų323.6 Ų23.62%0.01513%0.134CC..Hα-helixtrans-64.3-44.8177.3-68.6154.2000111.2W33 P50 Y52 I56 V57 Q58 G334 P337 A338 A509W33-I54 HydrophobicContact CH2-CD1 3.85Å; W33-I54 HydrophobicContact CH2-CG1 3.56Å; W33-I54 HydrophobicContact CZ2-CD1 3.91Å; W33-I54 HydrophobicContact CZ2-CG1 3.39Å; P50-I54 WeakPolarHBondContact O-CD1 3.43Å; P50-I54 VanDerWaalsContact O-CG1 3.24Å; P50-I54 WeakPolarHBondContact O-CG1 3.12Å; P50-I54 PolarHBondContact O-N 3.28Å; Y52-I54 VanDerWaalsContact C-N 3.3Å; Y52-I54 PolarHBondContact O-N 3.25Å; I54-I56 VanDerWaalsContact C-N 3.25Å; I54-I56 PolarHBondContact O-N 3.33Å; I54-V57 PolarHBondContact O-N 3.4Å; I54-Q58 VanDerWaalsContact O-CG 3.31Å; I54-Q58 WeakPolarHBondContact O-CG 3.33Å; I54-Q58 PolarHBondContact O-N 3.47Å; I54-G334 WeakPolarHBondContact CD1-O 3.21Å; I54-P337 VanDerWaalsContact CD1-C 3.47Å; I54-P337 HydrophobicContact CD1-CB 3.64Å; I54-P337 HydrophobicContact CG1-CB 4.3Å; I54-A338 VanDerWaalsContact CD1-CA 3.43Å; I54-A338 HydrophobicContact CD1-CB 3.63Å; I54-A509 HydrophobicContact CG2-CB 3.37Å
55I95.6Very high93.4Very high38 Ų3825.5 Ų25.520%0.19514%0.144CC..Hα-helixtrans-59.7-40.3175.3-70.2-67.1000111A51 Y52 Q58 I59 A509 I510 F513A51-I55 PolarHBondContact O-N 2.8Å; Y52-I55 PolarHBondContact O-N 3.35Å; I55-Q58 PolarHBondContact O-N 2.87Å; I55-I59 HydrophobicContact CG2-CD1 3.95Å; I55-I59 HydrophobicContact CG2-CG1 4.49Å; I55-I59 WeakPolarHBondContact O-CG1 3.4Å; I55-I59 PolarHBondContact O-N 2.85Å; I55-A509 HydrophobicContact CD1-CB 4.01Å; I55-I510 HydrophobicContact CD1-CG1 4.31Å; I55-F513 HydrophobicContact CB-CD2 4.44Å; I55-F513 HydrophobicContact CD1-CB 3.83Å; I55-F513 HydrophobicContact CD1-CG 4.22Å; I55-F513 HydrophobicContact CG1-CB 3.64Å; I55-F513 HydrophobicContact CG1-CD2 3.55Å; I55-F513 HydrophobicContact CG1-CE2 4.35Å; I55-F513 HydrophobicContact CG1-CG 3.69Å
56I96.1Very high93.1Very high22 Ų2229.2 Ų29.211%0.11316%0.164CC..Hα-helixtrans-61.8-45.7176.5-69.6163.1000111.2Y52 L53 I54 Q58 I59 A60 F131 A134 L135Y52-I56 WeakPolarHBondContact O-CG1 3.27Å; Y52-I56 PolarHBondContact O-N 3.06Å; Y52-I56 VanDerWaalsContact O-N 3.07Å; L53-I56 HydrophobicContact CD2-CD1 4.44Å; L53-I56 WeakPolarHBondContact O-CB 3.21Å; L53-I56 PolarHBondContact O-N 3.32Å; I54-I56 VanDerWaalsContact C-N 3.25Å; I54-I56 PolarHBondContact O-N 3.33Å; I56-Q58 VanDerWaalsContact C-N 3.26Å; I56-Q58 PolarHBondContact O-N 3.4Å; I56-I59 PolarHBondContact O-N 3.31Å; I56-A60 PolarHBondContact O-N 3Å; I56-F131 HydrophobicContact CD1-CB 3.59Å; I56-F131 HydrophobicContact CD1-CD1 3.48Å; I56-F131 VanDerWaalsContact CD1-CD1 3.48Å; I56-F131 HydrophobicContact CD1-CD2 4.47Å; I56-F131 HydrophobicContact CD1-CE1 4.25Å; I56-F131 HydrophobicContact CD1-CG 3.61Å; I56-A134 HydrophobicContact CG2-CB 4.4Å; I56-L135 HydrophobicContact CG2-CB 3.73Å; I56-L135 HydrophobicContact CG2-CD1 4.15Å
57V94.7Very high92.7Very high18 Ų1829.6 Ų29.611%0.10916%0.16CC..Hα-helixtrans-58.7-40.5174.11740000110.7V29 L53 I54 A60 N61 S138V29-V57 HydrophobicContact CG1-CG2 4.24Å; L53-V57 WeakPolarHBondContact O-CG2 3.06Å; L53-V57 PolarHBondContact O-N 3.04Å; I54-V57 PolarHBondContact O-N 3.4Å; V57-A60 VanDerWaalsContact O-CB 3.28Å; V57-A60 WeakPolarHBondContact O-CB 3.45Å; V57-A60 PolarHBondContact O-N 3.22Å; V57-N61 PolarHBondContact O-N 3.42Å; V57-S138 WeakPolarHBondContact CG2-OG 3.49Å
58Q94.1Very high92Very high26 Ų2631.6 Ų31.612%0.12117%0.174CC..Hα-helixtrans-69.8-34178.9-62.3-43.3111.400113.9I54 I55 I56 A60 N61 A509I54-Q58 VanDerWaalsContact O-CG 3.31Å; I54-Q58 WeakPolarHBondContact O-CG 3.33Å; I54-Q58 PolarHBondContact O-N 3.47Å; I55-Q58 PolarHBondContact O-N 2.87Å; I56-Q58 VanDerWaalsContact C-N 3.26Å; I56-Q58 PolarHBondContact O-N 3.4Å; Q58-A60 VanDerWaalsContact C-N 3.27Å; Q58-N61 WeakPolarHBondContact CA-ND2 3.43Å; Q58-N61 PolarHBondContact NE2-ND2 3.31Å; Q58-N61 VanDerWaalsContact O-CB 3.29Å; Q58-N61 WeakPolarHBondContact O-CB 3.29Å; Q58-N61 PolarHBondContact O-N 3.07Å; Q58-N61 PolarHBondContact O-ND2 3.4Å; Q58-N61 VanDerWaalsContact O-ND2 3.09Å; Q58-A509 HydrophobicContact CB-CB 4.37Å; Q58-A509 HydrophobicContact CG-CB 3.35Å
59I94.3Very high91.4Very high98 Ų9835 Ų3550%0.50320%0.195SC..Hα-helixtrans-64-37.4171.5-68.5165.6000110.1I55 I56 N61 V62 L135I55-I59 HydrophobicContact CG2-CD1 3.95Å; I55-I59 HydrophobicContact CG2-CG1 4.49Å; I55-I59 WeakPolarHBondContact O-CG1 3.4Å; I55-I59 PolarHBondContact O-N 2.85Å; I56-I59 PolarHBondContact O-N 3.31Å; I59-N61 PolarHBondContact O-N 3.1Å; I59-N61 VanDerWaalsContact O-N 3.13Å; I59-V62 WeakPolarHBondContact O-CB 3.47Å; I59-V62 WeakPolarHBondContact O-CG1 3.48Å; I59-V62 PolarHBondContact O-N 3.37Å; I59-V62 VanDerWaalsContact O-N 3.1Å; I59-L135 HydrophobicContact CB-CD1 4.29Å; I59-L135 HydrophobicContact CG2-CD1 3.92Å
60A94.1Very high90.8Very high0 Ų039.1 Ų39.10%022%0.216CC..Hα-helixtrans-64.3-16.5-179.800000114.8I56 V57 Q58 V62 G63 L135 S138 I139I56-A60 PolarHBondContact O-N 3Å; V57-A60 VanDerWaalsContact O-CB 3.28Å; V57-A60 WeakPolarHBondContact O-CB 3.45Å; V57-A60 PolarHBondContact O-N 3.22Å; Q58-A60 VanDerWaalsContact C-N 3.27Å; A60-V62 PolarHBondContact O-N 3.23Å; A60-G63 PolarHBondContact O-N 3.32Å; A60-L135 HydrophobicContact CB-CD1 4.12Å; A60-S138 VanDerWaalsContact CB-C 3.42Å; A60-I139 HydrophobicContact CB-CB 4.47Å; A60-I139 HydrophobicContact CB-CG1 3.75Å
61N89Confident89.9Confident19 Ų1939.5 Ų39.510%0.10222%0.219CC..THydrogen-bonded Turntrans-59.8-12170.8-62.2-32.1000113.7V57 Q58 I59 G63 P64 V65 C142 Q502V57-N61 PolarHBondContact O-N 3.42Å; Q58-N61 WeakPolarHBondContact CA-ND2 3.43Å; Q58-N61 PolarHBondContact NE2-ND2 3.31Å; Q58-N61 VanDerWaalsContact O-CB 3.29Å; Q58-N61 WeakPolarHBondContact O-CB 3.29Å; Q58-N61 PolarHBondContact O-N 3.07Å; Q58-N61 PolarHBondContact O-ND2 3.4Å; Q58-N61 VanDerWaalsContact O-ND2 3.09Å; I59-N61 PolarHBondContact O-N 3.1Å; I59-N61 VanDerWaalsContact O-N 3.13Å; N61-G63 PolarHBondContact O-N 3.2Å; N61-P64 WeakPolarHBondContact O-CD 3.45Å; N61-V65 WeakPolarHBondContact O-CG2 3.32Å; N61-C142 PolarHBondContact OD1-SG 2.67Å; N61-Q502 PolarHBondContact ND2-NE2 3.31Å; N61-Q502 PolarHBondContact OD1-NE2 2.87Å
62V88.2Confident88.9Confident68 Ų6844.9 Ų44.941%0.41224%0.243SC..Hα-helixtrans-59-27.3167.580.80000112.2I59 A60 V65 I66I59-V62 WeakPolarHBondContact O-CB 3.47Å; I59-V62 WeakPolarHBondContact O-CG1 3.48Å; I59-V62 PolarHBondContact O-N 3.37Å; I59-V62 VanDerWaalsContact O-N 3.1Å; A60-V62 PolarHBondContact O-N 3.23Å; V62-V65 PolarHBondContact O-N 3.1Å; V62-I66 HydrophobicContact CG1-CD1 4.33Å; V62-I66 HydrophobicContact CG2-CD1 3.77Å; V62-I66 HydrophobicContact CG2-CG1 4.13Å; V62-I66 VanDerWaalsContact O-CG1 3.31Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 2.84Å
63G88.1Confident87.8Confident7 Ų748.8 Ų48.87%0.07226%0.26CS..Hα-helixtrans-54.5-62.1178.400000112.9A60 N61 V65 I66 Y67 T143A60-G63 PolarHBondContact O-N 3.32Å; N61-G63 PolarHBondContact O-N 3.2Å; G63-V65 VanDerWaalsContact C-N 3.27Å; G63-V65 PolarHBondContact O-N 3.03Å; G63-I66 PolarHBondContact O-N 3.4Å; G63-Y67 WeakPolarHBondContact O-CB 3.4Å; G63-Y67 PolarHBondContact O-N 2.98Å; G63-T143 WeakPolarHBondContact CA-OG1 3.38Å
64P84.5Confident86.6Confident20 Ų2052.3 Ų52.313%0.1328%0.279CS..Hα-helixtrans-53.6-40.1172.1-29.434000114.4N61 I66 Y67 V68 C142 T143 V146N61-P64 WeakPolarHBondContact O-CD 3.45Å; P64-I66 VanDerWaalsContact C-N 3.31Å; P64-I66 PolarHBondContact O-N 3Å; P64-Y67 PolarHBondContact O-N 3.44Å; P64-V68 WeakPolarHBondContact O-CG2 3.47Å; P64-V68 PolarHBondContact O-N 3.12Å; P64-V68 VanDerWaalsContact O-N 3.08Å; P64-C142 HydrophobicContact CG-CB 4.14Å; P64-C142 VanDerWaalsContact CG-O 3.23Å; P64-C142 WeakPolarHBondContact CG-O 3.14Å; P64-T143 WeakPolarHBondContact CD-OG1 3.23Å; P64-V146 HydrophobicContact CB-CG2 4.23Å; P64-V146 HydrophobicContact CG-CG2 4.46Å
65V86.4Confident85.3Confident102 Ų10255.7 Ų55.762%0.61830%0.295SS*.Hα-helixtrans-65-34.9-178.9174.50000111.7N61 V62 G63 P69N61-V65 WeakPolarHBondContact O-CG2 3.32Å; V62-V65 PolarHBondContact O-N 3.1Å; G63-V65 VanDerWaalsContact C-N 3.27Å; G63-V65 PolarHBondContact O-N 3.03Å; V65-P69 WeakPolarHBondContact O-CD 3.46Å; V65-P69 VanDerWaalsContact O-CG 3.27Å; V65-P69 WeakPolarHBondContact O-CG 3.35Å
66I87.5Confident83.5Confident103 Ų10358.1 Ų58.153%0.52832%0.32SS..Hα-helixtrans-79.2-43.3175.1-67.8167000110.8V62 G63 P64 P69 L70V62-I66 HydrophobicContact CG1-CD1 4.33Å; V62-I66 HydrophobicContact CG2-CD1 3.77Å; V62-I66 HydrophobicContact CG2-CG1 4.13Å; V62-I66 VanDerWaalsContact O-CG1 3.31Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 2.84Å; G63-I66 PolarHBondContact O-N 3.4Å; P64-I66 VanDerWaalsContact C-N 3.31Å; P64-I66 PolarHBondContact O-N 3Å; I66-P69 WeakPolarHBondContact O-CD 3.43Å; I66-L70 VanDerWaalsContact O-CB 3.26Å; I66-L70 WeakPolarHBondContact O-CB 3.25Å; I66-L70 PolarHBondContact O-N 3.18Å
67Y85.4Confident81.7Confident28 Ų2864.5 Ų64.511%0.1135%0.347CS..Hα-helixtrans-61.2-48.1-175.5169-102000112.5G63 P64 L70 A71 E90 A93 T143 T147G63-Y67 WeakPolarHBondContact O-CB 3.4Å; G63-Y67 PolarHBondContact O-N 2.98Å; P64-Y67 PolarHBondContact O-N 3.44Å; Y67-L70 PolarHBondContact O-N 2.98Å; Y67-A71 HydrophobicContact CE1-CB 4.4Å; Y67-A71 HydrophobicContact CE2-CB 4.15Å; Y67-A71 WeakPolarHBondContact O-CB 3.01Å; Y67-A71 PolarHBondContact O-N 3.49Å; Y67-E90 WeakPolarHBondContact OH-CG 3.47Å; Y67-A93 HydrophobicContact CD2-CB 4.23Å; Y67-A93 HydrophobicContact CE2-CB 3.55Å; Y67-T143 HydrophobicContact CG-CG2 4.22Å; Y67-T147 HydrophobicContact CD1-CG2 3.86Å; Y67-T147 HydrophobicContact CD2-CG2 4.27Å; Y67-T147 HydrophobicContact CE1-CG2 3.47Å; Y67-T147 VanDerWaalsContact CE1-CG2 3.47Å; Y67-T147 HydrophobicContact CE2-CG2 3.93Å; Y67-T147 HydrophobicContact CG-CG2 4.24Å; Y67-T147 VanDerWaalsContact CZ-CG2 3.5Å
68V80.4Confident79.8Confident62 Ų6266 Ų6638%0.37636%0.356SS..Hα-helixtrans-62.1-47.5-172.21710000112.8P64 K72 V146P64-V68 WeakPolarHBondContact O-CG2 3.47Å; P64-V68 PolarHBondContact O-N 3.12Å; P64-V68 VanDerWaalsContact O-N 3.08Å; V68-K72 PolarHBondContact O-N 3.5Å; V68-V146 HydrophobicContact CG2-CG1 4.4Å
69P82.6Confident78Confident77 Ų7771.6 Ų71.650%0.539%0.387SS..Hα-helixtrans-65-38.7172.6-21.933.7000113.2V65 I66 K72 F73V65-P69 WeakPolarHBondContact O-CD 3.46Å; V65-P69 VanDerWaalsContact O-CG 3.27Å; V65-P69 WeakPolarHBondContact O-CG 3.35Å; I66-P69 WeakPolarHBondContact O-CD 3.43Å; P69-K72 PolarHBondContact O-N 3.41Å; P69-F73 WeakPolarHBondContact O-CB 3.42Å; P69-F73 PolarHBondContact O-N 3.5Å
70L83.2Confident76.5Confident87 Ų8768.6 Ų68.646%0.45538%0.381SS..Hα-helixtrans-63.1-44.5179.2179.561.6000111.4I66 Y67 K72 F73 L74I66-L70 VanDerWaalsContact O-CB 3.26Å; I66-L70 WeakPolarHBondContact O-CB 3.25Å; I66-L70 PolarHBondContact O-N 3.18Å; Y67-L70 PolarHBondContact O-N 2.98Å; L70-K72 PolarHBondContact O-N 2.83Å; L70-F73 PolarHBondContact O-N 3.36Å; L70-L74 HydrophobicContact CD1-CD1 4.12Å; L70-L74 HydrophobicContact CD1-CG 4.2Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 HydrophobicContact CG-CG 4.49Å; L70-L74 WeakPolarHBondContact O-CB 3.48Å; L70-L74 VanDerWaalsContact O-CG 3.25Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 3.25Å
71A77.7Confident74.9Confident7 Ų776.9 Ų76.96%0.05842%0.417CS..Hα-helixtrans-57.6-49.8175.800000111.2Y67 F73 L74 E75 P89Y67-A71 HydrophobicContact CE1-CB 4.4Å; Y67-A71 HydrophobicContact CE2-CB 4.15Å; Y67-A71 WeakPolarHBondContact O-CB 3.01Å; Y67-A71 PolarHBondContact O-N 3.49Å; A71-F73 VanDerWaalsContact C-N 3.34Å; A71-F73 PolarHBondContact O-N 2.75Å; A71-L74 PolarHBondContact O-N 3.05Å; A71-E75 WeakPolarHBondContact O-CG 3.43Å; A71-E75 PolarHBondContact O-N 2.91Å; A71-P89 HydrophobicContact CB-CB 4.44Å; A71-P89 HydrophobicContact CB-CG 4.33Å
72K75.9Confident73.3Confident115 Ų11580.2 Ų80.250%0.544%0.441SS..Hα-helixtrans-61.4-38.5176.4-72.5-175.2176.1-174.20113.7V68 P69 L70 E75 A76V68-K72 PolarHBondContact O-N 3.5Å; P69-K72 PolarHBondContact O-N 3.41Å; L70-K72 PolarHBondContact O-N 2.83Å; K72-E75 WeakPolarHBondContact O-CB 3.36Å; K72-E75 PolarHBondContact O-N 3.43Å; K72-A76 PolarHBondContact O-N 2.9Å; K72-A76 VanDerWaalsContact O-N 3.07Å
73F74.1Confident71.9Confident117 Ų11777.8 Ų77.851%0.51343%0.426SS..Hα-helixtrans-67.5-40.1178.2178.7-99.9000111.6P69 L70 A71 E75 A76 K77P69-F73 WeakPolarHBondContact O-CB 3.42Å; P69-F73 PolarHBondContact O-N 3.5Å; L70-F73 PolarHBondContact O-N 3.36Å; A71-F73 VanDerWaalsContact C-N 3.34Å; A71-F73 PolarHBondContact O-N 2.75Å; F73-E75 VanDerWaalsContact C-N 3.34Å; F73-A76 PolarHBondContact O-N 3.17Å; F73-K77 HydrophobicContact CE1-CD 3.9Å; F73-K77 HydrophobicContact CE2-CD 4.1Å; F73-K77 HydrophobicContact CZ-CD 3.48Å; F73-K77 VanDerWaalsContact CZ-CD 3.48Å; F73-K77 WeakPolarHBondContact O-CB 3.19Å; F73-K77 PolarHBondContact O-N 2.79Å
74L70.9Confident70.5Confident82 Ų8283.7 Ų83.743%0.42945%0.447SS..Hα-helixtrans-67.5-34.1175.6-68.8171.7000112.2L70 A71 T78L70-L74 HydrophobicContact CD1-CD1 4.12Å; L70-L74 HydrophobicContact CD1-CG 4.2Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 HydrophobicContact CG-CG 4.49Å; L70-L74 WeakPolarHBondContact O-CB 3.48Å; L70-L74 VanDerWaalsContact O-CG 3.25Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 3.25Å; A71-L74 PolarHBondContact O-N 3.05Å; L74-T78 PolarHBondContact O-OG1 2.89Å
75E67.6Low69.3Low74 Ų7485.8 Ų85.835%0.34646%0.461SS..Hα-helixtrans-61.7-47.6170.6-73170.3-174.900111.7A71 K72 F73 K77 P89 Y247A71-E75 WeakPolarHBondContact O-CG 3.43Å; A71-E75 PolarHBondContact O-N 2.91Å; K72-E75 WeakPolarHBondContact O-CB 3.36Å; K72-E75 PolarHBondContact O-N 3.43Å; F73-E75 VanDerWaalsContact C-N 3.34Å; E75-K77 PolarHBondContact O-N 2.93Å; E75-P89 HydrophobicContact CG-CG 4.43Å; E75-Y247 WeakPolarHBondContact CG-OH 3.45Å
76A59.5Low68Low88 Ų8885 Ų8573%0.72745%0.453SS*.Hα-helixtrans-72.2-26.5-172.700000114.6K72 F73K72-A76 PolarHBondContact O-N 2.9Å; K72-A76 VanDerWaalsContact O-N 3.07Å; F73-A76 PolarHBondContact O-N 3.17Å
77K57.1Low67Low156 Ų15681.9 Ų81.968%0.67844%0.436SS*.Hα-helixtrans-98.1-5.5-166-159.9163.8-179.1179.20114.9F73 E75F73-K77 HydrophobicContact CE1-CD 3.9Å; F73-K77 HydrophobicContact CE2-CD 4.1Å; F73-K77 HydrophobicContact CZ-CD 3.48Å; F73-K77 VanDerWaalsContact CZ-CD 3.48Å; F73-K77 WeakPolarHBondContact O-CB 3.19Å; F73-K77 PolarHBondContact O-N 2.79Å; E75-K77 PolarHBondContact O-N 2.93Å
78T54.5Low66.4Low49 Ų4980.8 Ų80.830%0.30143%0.433SS..  trans-131.872-154.3-19.60000114.4L74 G80 S83L74-T78 PolarHBondContact O-OG1 2.89Å; T78-G80 PolarHBondContact O-N 3.43Å; T78-G80 VanDerWaalsContact O-N 3.13Å; T78-S83 VanDerWaalsContact CB-CB 3.46Å; T78-S83 WeakPolarHBondContact CB-OG 3.49Å; T78-S83 VanDerWaalsContact CG2-CB 3.42Å; T78-S83 VanDerWaalsContact O-CB 3.25Å; T78-S83 WeakPolarHBondContact O-CB 3.15Å; T78-S83 PolarHBondContact O-OG 2.9Å
79N57.4Low66.3Low145 Ų14578.6 Ų78.678%0.77542%0.42SS*.  trans-73.110.3167.7-77.4-3000114.1
80G62.6Low66.3Low35 Ų3576 Ų7636%0.36140%0.401SS..SBendtrans-78.5148.9-179.300000113.6T78 C82 S83 R84T78-G80 PolarHBondContact O-N 3.43Å; T78-G80 VanDerWaalsContact O-N 3.13Å; G80-C82 PolarHBondContact O-N 3.4Å; G80-C82 VanDerWaalsContact O-N 3.15Å; G80-S83 PolarHBondContact O-N 2.91Å; G80-R84 PolarHBondContact O-N 3.17Å
81F60.1Low66.5Low174 Ų17475.4 Ų75.476%0.76339%0.393SS*.Hα-helixtrans-49.3-40.2175.8179.3-100.3000113S83 R84 C85F81-S83 PolarHBondContact O-N 3.36Å; F81-R84 PolarHBondContact O-N 3.35Å; F81-C85 PolarHBondContact O-N 3.22Å
82C56.1Low67Low89 Ų8978.1 Ų78.160%0.60141%0.405SS*.Hα-helixtrans-65.1-36.6179.2-166.90000112.9G80 C85 L86G80-C82 PolarHBondContact O-N 3.4Å; G80-C82 VanDerWaalsContact O-N 3.15Å; C82-C85 PolarHBondContact O-N 3.08Å; C82-L86 PolarHBondContact O-N 3.33Å
83S57.8Low67.6Low16 Ų1673.2 Ų73.211%0.11239%0.386CS..Hα-helixtrans-70.3-35.5177.2-174.70000112.2T78 G80 F81 C85 L86 Q87T78-S83 VanDerWaalsContact CB-CB 3.46Å; T78-S83 WeakPolarHBondContact CB-OG 3.49Å; T78-S83 VanDerWaalsContact CG2-CB 3.42Å; T78-S83 VanDerWaalsContact O-CB 3.25Å; T78-S83 WeakPolarHBondContact O-CB 3.15Å; T78-S83 PolarHBondContact O-OG 2.9Å; G80-S83 PolarHBondContact O-N 2.91Å; F81-S83 PolarHBondContact O-N 3.36Å; S83-C85 PolarHBondContact O-N 3.12Å; S83-L86 CarbonylContact O-C 3.45Å; S83-L86 PolarHBondContact O-N 2.93Å; S83-Q87 WeakPolarHBondContact O-CG 3.43Å; S83-Q87 PolarHBondContact O-N 3.45Å; S83-Q87 PolarHBondContact OG-NE2 3.25Å
84R59Low68.5Low131 Ų13167.6 Ų67.649%0.49436%0.362SS..Hα-helixtrans-60.8-30.2173.1-70.6176.473.4162.11.3112.2G80 F81 H244 R248G80-R84 PolarHBondContact O-N 3.17Å; F81-R84 PolarHBondContact O-N 3.35Å; R84-H244 PolarHBondContact O-CE1 3.04Å; R84-H244 VanDerWaalsContact O-CE1 3.22Å; R84-R248 VanDerWaalsContact NH2-NH2 3.15Å
85C58.9Low69.6Low65 Ų6566.6 Ų66.644%0.43935%0.353SS..Hα-helixtrans-78.8-24.2173.8-63.90000113.5F81 C82 S83F81-C85 PolarHBondContact O-N 3.22Å; C82-C85 PolarHBondContact O-N 3.08Å; S83-C85 PolarHBondContact O-N 3.12Å
86L60.5Low70.8Confident85 Ų8568.2 Ų68.245%0.44536%0.363SS..Hα-helixtrans-95-8.1-175.4-112.765.7000114.2C82 S83 P88 I92C82-L86 PolarHBondContact O-N 3.33Å; S83-L86 CarbonylContact O-C 3.45Å; S83-L86 PolarHBondContact O-N 2.93Å; L86-P88 CarbonylContact O-C 3.59Å; L86-I92 HydrophobicContact CB-CD1 3.89Å; L86-I92 HydrophobicContact CD2-CD1 3.28Å; L86-I92 HydrophobicContact CD2-CG1 4.37Å; L86-I92 HydrophobicContact CG-CD1 3.28Å; L86-I92 HydrophobicContact CG-CG1 3.95Å
87Q65.6Low72.5Confident37 Ų3764.7 Ų64.717%0.17333%0.332CS..  trans-81.3144.2175.9-78.5168.35.500110.9S83 H244 Y247S83-Q87 WeakPolarHBondContact O-CG 3.43Å; S83-Q87 PolarHBondContact O-N 3.45Å; S83-Q87 PolarHBondContact OG-NE2 3.25Å; Q87-H244 PolarHBondContact O-CE1 2.98Å; Q87-H244 PolarHBondContact O-ND1 3.5Å; Q87-Y247 HydrophobicContact CB-CD1 3.92Å; Q87-Y247 HydrophobicContact CB-CE1 3.48Å; Q87-Y247 VanDerWaalsContact CB-CE1 3.48Å; Q87-Y247 HydrophobicContact CG-CE1 3.64Å
88P73.7Confident74.3Confident6 Ų657.4 Ų57.44%0.03930%0.3CS..SBendcis-71.4148.5-2.932.4-37.4000112.1L86 E90 R91 I243 Y247L86-P88 CarbonylContact O-C 3.59Å; P88-E90 WeakPolarHBondContact CB-OE2 3.4Å; P88-E90 PolarHBondContact O-N 3.16Å; P88-E90 VanDerWaalsContact O-N 3.13Å; P88-R91 HydrophobicContact CG-CB 4.39Å; P88-R91 WeakPolarHBondContact O-CB 3.35Å; P88-R91 PolarHBondContact O-N 3.36Å; P88-I243 HydrophobicContact CG-CG2 4.03Å; P88-Y247 HydrophobicContact CB-CD1 4.4Å; P88-Y247 HydrophobicContact CB-CD2 3.62Å; P88-Y247 HydrophobicContact CB-CE2 3.88Å; P88-Y247 HydrophobicContact CB-CG 3.88Å
89P76.8Confident76.2Confident16 Ų1656.9 Ų56.910%0.10430%0.301CS..Hα-helixtrans-57.7-28-17923.6-33000113.3A71 E75 R91 I92 A93A71-P89 HydrophobicContact CB-CB 4.44Å; A71-P89 HydrophobicContact CB-CG 4.33Å; E75-P89 HydrophobicContact CG-CG 4.43Å; P89-R91 PolarHBondContact O-N 3.22Å; P89-I92 PolarHBondContact O-N 3.29Å; P89-A93 PolarHBondContact O-N 2.87Å
90E83Confident78Confident23 Ų2352.8 Ų52.811%0.10728%0.281CS..Hα-helixtrans-53.2-34.6171.8-71.175.2-174.300112.7Y67 P88 I92 A93 N94 T150 Y151Y67-E90 WeakPolarHBondContact OH-CG 3.47Å; P88-E90 WeakPolarHBondContact CB-OE2 3.4Å; P88-E90 PolarHBondContact O-N 3.16Å; P88-E90 VanDerWaalsContact O-N 3.13Å; E90-I92 PolarHBondContact O-N 3.04Å; E90-A93 PolarHBondContact O-N 2.91Å; E90-N94 WeakPolarHBondContact O-CB 3.28Å; E90-N94 PolarHBondContact O-N 2.96Å; E90-N94 PolarHBondContact O-ND2 3.47Å; E90-N94 VanDerWaalsContact O-ND2 3.16Å; E90-T150 WeakPolarHBondContact CG-OG1 3.46Å; E90-T150 PolarHBondContact OE1-OG1 2.96Å; E90-Y151 HydrophobicContact CB-CD2 4.11Å
91R87.8Confident79.6Confident74 Ų7451.2 Ų51.228%0.27926%0.264SS..Hα-helixtrans-57.6-53-179.4-175.8-177.1-175.5-164.91.4111.2P88 P89 Y95 Y151 D233P88-R91 HydrophobicContact CG-CB 4.39Å; P88-R91 WeakPolarHBondContact O-CB 3.35Å; P88-R91 PolarHBondContact O-N 3.36Å; P89-R91 PolarHBondContact O-N 3.22Å; R91-Y95 HydrophobicContact CG-CD2 4.35Å; R91-Y95 HydrophobicContact CG-CE2 4.05Å; R91-Y95 WeakPolarHBondContact O-CD2 3.49Å; R91-Y95 PolarHBondContact O-N 3.12Å; R91-Y151 HydrophobicContact CB-CE2 4.26Å; R91-D233 IonicContact CZ-OD1 3.98Å; R91-D233 IonicContact CZ-OD2 2.8Å; R91-D233 VanDerWaalsContact NE-CG 3.29Å; R91-D233 IonicContact NE-OD1 3.85Å; R91-D233 PolarHBondContact NE-OD1 3.44Å; R91-D233 VanDerWaalsContact NE-OD1 3.09Å; R91-D233 IonicContact NE-OD2 3.84Å; R91-D233 PolarHBondContact NE-OD2 3.29Å; R91-D233 IonicContact NH2-OD1 3.06Å; R91-D233 IonicContact NH2-OD2 3.09Å; R91-D233 PolarHBondContact NH2-OD2 2.93Å
92I87.7Confident81.4Confident63 Ų6344 Ų4432%0.32323%0.234SC..Hα-helixtrans-67.1-43.2179.2-51.7167000109.8L86 P89 E90 N94 Y95 L96L86-I92 HydrophobicContact CB-CD1 3.89Å; L86-I92 HydrophobicContact CD2-CD1 3.28Å; L86-I92 HydrophobicContact CD2-CG1 4.37Å; L86-I92 HydrophobicContact CG-CD1 3.28Å; L86-I92 HydrophobicContact CG-CG1 3.95Å; P89-I92 PolarHBondContact O-N 3.29Å; E90-I92 PolarHBondContact O-N 3.04Å; I92-N94 VanDerWaalsContact C-N 3.28Å; I92-N94 PolarHBondContact O-N 3.11Å; I92-Y95 PolarHBondContact O-N 3.48Å; I92-L96 HydrophobicContact CG2-CD1 3.89Å; I92-L96 HydrophobicContact CG2-CG 4.13Å; I92-L96 WeakPolarHBondContact O-CG 3.48Å; I92-L96 PolarHBondContact O-N 3.43Å
93A89.7Confident83.3Confident12 Ų1244.5 Ų44.510%0.09923%0.229CC..Hα-helixtrans-56.6-45.4-179.200000111Y67 P89 E90 L96 I97 T147Y67-A93 HydrophobicContact CD2-CB 4.23Å; Y67-A93 HydrophobicContact CE2-CB 3.55Å; P89-A93 PolarHBondContact O-N 2.87Å; E90-A93 PolarHBondContact O-N 2.91Å; A93-L96 PolarHBondContact O-N 3.33Å; A93-I97 HydrophobicContact CB-CD1 4.43Å; A93-I97 VanDerWaalsContact O-CB 3.29Å; A93-I97 WeakPolarHBondContact O-CB 3.28Å; A93-I97 WeakPolarHBondContact O-CD1 3.32Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 2.95Å; A93-T147 HydrophobicContact CB-CG2 4.12Å
94N92.7Very high85.2Confident0 Ų043.9 Ų43.90%023%0.225CC..Hα-helixtrans-65.3-40.7179-68.8-24.2000112.8Y21 E90 I92 L98 T147 F148 Y151 F229Y21-N94 PolarHBondContact OH-ND2 3.36Å; Y21-N94 PolarHBondContact OH-OD1 2.95Å; E90-N94 WeakPolarHBondContact O-CB 3.28Å; E90-N94 PolarHBondContact O-N 2.96Å; E90-N94 PolarHBondContact O-ND2 3.47Å; E90-N94 VanDerWaalsContact O-ND2 3.16Å; I92-N94 VanDerWaalsContact C-N 3.28Å; I92-N94 PolarHBondContact O-N 3.11Å; N94-L98 WeakPolarHBondContact O-CB 3.21Å; N94-L98 WeakPolarHBondContact O-CG 3.49Å; N94-L98 PolarHBondContact O-N 3.31Å; N94-T147 WeakPolarHBondContact OD1-CB 3.31Å; N94-T147 PolarHBondContact OD1-OG1 2.94Å; N94-F148 VanDerWaalsContact OD1-CD1 3.29Å; N94-F148 WeakPolarHBondContact OD1-CD1 3.33Å; N94-Y151 WeakPolarHBondContact ND2-CB 3.28Å; N94-F229 HydrophobicContact CB-CD1 4.3Å; N94-F229 HydrophobicContact CB-CD2 4.5Å; N94-F229 HydrophobicContact CB-CE1 3.61Å; N94-F229 HydrophobicContact CB-CE2 3.85Å; N94-F229 HydrophobicContact CB-CZ 3.37Å
95Y94Very high86.9Confident60 Ų6037.7 Ų37.724%0.23520%0.202CC..Hα-helixtrans-60.3-45.3171.8-79.3-61.1000112.1R91 I92 A99 L226 F229 I230 D233R91-Y95 HydrophobicContact CG-CD2 4.35Å; R91-Y95 HydrophobicContact CG-CE2 4.05Å; R91-Y95 WeakPolarHBondContact O-CD2 3.49Å; R91-Y95 PolarHBondContact O-N 3.12Å; I92-Y95 PolarHBondContact O-N 3.48Å; Y95-A99 VanDerWaalsContact O-CB 3.23Å; Y95-A99 WeakPolarHBondContact O-CB 3.23Å; Y95-A99 PolarHBondContact O-N 2.96Å; Y95-L226 HydrophobicContact CD1-CD1 4.22Å; Y95-F229 AromaticContact CD1-CD1 3.87Å; Y95-F229 HydrophobicContact CD1-CD1 3.87Å; Y95-F229 AromaticContact CD1-CE1 3.94Å; Y95-F229 HydrophobicContact CD1-CE1 3.94Å; Y95-F229 AromaticContact CD2-CE1 3.77Å; Y95-F229 HydrophobicContact CD2-CE1 3.77Å; Y95-F229 AromaticContact CE1-CD1 3.69Å; Y95-F229 HydrophobicContact CE1-CD1 3.69Å; Y95-F229 AromaticContact CE1-CE1 3.87Å; Y95-F229 HydrophobicContact CE1-CE1 3.87Å; Y95-F229 HydrophobicContact CE2-CD1 4.35Å; Y95-F229 AromaticContact CE2-CE1 3.7Å; Y95-F229 HydrophobicContact CE2-CE1 3.7Å; Y95-F229 HydrophobicContact CG-CD1 4.27Å; Y95-F229 AromaticContact CG-CE1 3.88Å; Y95-F229 HydrophobicContact CG-CE1 3.88Å; Y95-F229 AromaticContact CZ-CD1 3.95Å; Y95-F229 AromaticContact CZ-CE1 3.75Å; Y95-I230 HydrophobicContact CE1-CG1 3.69Å; Y95-D233 WeakPolarHBondContact CE2-OD2 3.42Å; Y95-D233 PolarHBondContact OH-OD2 2.86Å
96L92.9Very high88.8Confident108 Ų10837.9 Ų37.957%0.56520%0.198SC*.Hα-helixtrans-64.9-46.4179.1-69.4176.9000111.8I92 A93 A99 V100I92-L96 HydrophobicContact CG2-CD1 3.89Å; I92-L96 HydrophobicContact CG2-CG 4.13Å; I92-L96 WeakPolarHBondContact O-CG 3.48Å; I92-L96 PolarHBondContact O-N 3.43Å; A93-L96 PolarHBondContact O-N 3.33Å; L96-A99 PolarHBondContact O-N 3.32Å; L96-V100 WeakPolarHBondContact O-CB 3.45Å; L96-V100 VanDerWaalsContact O-CG2 3.23Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.46Å
97I94Very high90.5Very high15 Ų1536.9 Ų36.98%0.07719%0.193CC..Hα-helixtrans-58.7-50.8179-73.5165.2000110A93 A99 V100 G101 V140 T143 T147 F148A93-I97 HydrophobicContact CB-CD1 4.43Å; A93-I97 VanDerWaalsContact O-CB 3.29Å; A93-I97 WeakPolarHBondContact O-CB 3.28Å; A93-I97 WeakPolarHBondContact O-CD1 3.32Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 2.95Å; I97-A99 PolarHBondContact O-N 3.06Å; I97-V100 PolarHBondContact O-N 3.49Å; I97-G101 PolarHBondContact O-N 3.22Å; I97-V140 HydrophobicContact CG2-CB 4.27Å; I97-V140 HydrophobicContact CG2-CG1 3.58Å; I97-V140 WeakPolarHBondContact O-CG1 3.4Å; I97-V140 WeakPolarHBondContact O-CG2 3.36Å; I97-T143 HydrophobicContact CD1-CG2 3.64Å; I97-T143 HydrophobicContact CG1-CG2 4.39Å; I97-T147 HydrophobicContact CD1-CG2 3.9Å; I97-T147 VanDerWaalsContact CD1-OG1 3.3Å; I97-T147 WeakPolarHBondContact CD1-OG1 3.4Å; I97-F148 HydrophobicContact CG2-CE1 4.18Å
98L95Very high92Very high3 Ų335.1 Ų35.12%0.01619%0.185CC..Hα-helixtrans-66.5-37.8180-70.1168.7000112.5Y21 N94 L102 F148 L226 F229Y21-L98 HydrophobicContact CD2-CD1 4.14Å; Y21-L98 HydrophobicContact CE2-CD1 4.1Å; N94-L98 WeakPolarHBondContact O-CB 3.21Å; N94-L98 WeakPolarHBondContact O-CG 3.49Å; N94-L98 PolarHBondContact O-N 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 3.4Å; L98-F148 HydrophobicContact CD2-CZ 4.05Å; L98-F148 HydrophobicContact CG-CZ 4.32Å; L98-L226 HydrophobicContact CB-CB 4.41Å; L98-L226 HydrophobicContact CB-CD1 3.93Å; L98-L226 HydrophobicContact CD1-CD1 4.28Å; L98-F229 HydrophobicContact CD1-CB 3.78Å; L98-F229 HydrophobicContact CD1-CD1 4.16Å; L98-F229 HydrophobicContact CD1-CG 4.04Å
99A95.8Very high93.1Very high37 Ų3734.9 Ų34.931%0.30618%0.183SC..Hα-helixtrans-67.2-46.2176.300000112.2Y95 L96 I97 G101 L102 I103Y95-A99 VanDerWaalsContact O-CB 3.23Å; Y95-A99 WeakPolarHBondContact O-CB 3.23Å; Y95-A99 PolarHBondContact O-N 2.96Å; L96-A99 PolarHBondContact O-N 3.32Å; I97-A99 PolarHBondContact O-N 3.06Å; A99-G101 VanDerWaalsContact C-N 3.33Å; A99-L102 PolarHBondContact O-N 2.78Å; A99-I103 VanDerWaalsContact O-CG1 3.27Å; A99-I103 WeakPolarHBondContact O-CG1 3.15Å; A99-I103 PolarHBondContact O-N 3.31Å
100V95.4Very high94Very high60 Ų6038.7 Ų38.736%0.36420%0.199SC..Hα-helixtrans-64.8-39175.9173.80000110.7L96 I97 I103 S104 V140L96-V100 WeakPolarHBondContact O-CB 3.45Å; L96-V100 VanDerWaalsContact O-CG2 3.23Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.46Å; I97-V100 PolarHBondContact O-N 3.49Å; V100-I103 PolarHBondContact O-N 2.87Å; V100-S104 VanDerWaalsContact O-CB 3.29Å; V100-S104 WeakPolarHBondContact O-CB 3.45Å; V100-S104 PolarHBondContact O-N 3.38Å; V100-S104 PolarHBondContact O-OG 3.23Å; V100-V140 HydrophobicContact CB-CG2 3.88Å; V100-V140 HydrophobicContact CG1-CG2 3.67Å
101G95.8Very high94.7Very high1 Ų142.3 Ų42.31%0.0122%0.215CC..Hα-helixtrans-59.6-46.2174.100000111.9I97 A99 S104 C105I97-G101 PolarHBondContact O-N 3.22Å; A99-G101 VanDerWaalsContact C-N 3.33Å; G101-S104 WeakPolarHBondContact CA-OG 3.42Å; G101-S104 PolarHBondContact O-OG 2.97Å; G101-C105 VanDerWaalsContact O-CB 3.26Å; G101-C105 WeakPolarHBondContact O-CB 3.34Å; G101-C105 PolarHBondContact O-N 2.89Å
102L96.9Very high95.1Very high23 Ų2340.5 Ų40.512%0.1221%0.208CC..Hα-helixtrans-63.4-48176.1179.263.1000112.3L98 A99 C105 I106 C219 L222 L223L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 3.4Å; A99-L102 PolarHBondContact O-N 2.78Å; L102-C105 PolarHBondContact O-N 3.44Å; L102-I106 HydrophobicContact CD1-CD1 4.12Å; L102-I106 HydrophobicContact CD1-CG1 4.44Å; L102-I106 HydrophobicContact CG-CD1 4.04Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 2.87Å; L102-C219 HydrophobicContact CD1-CB 4.17Å; L102-L222 HydrophobicContact CD1-CB 4.22Å; L102-L223 HydrophobicContact CD1-CD1 4.47Å; L102-L223 HydrophobicContact CD1-CD2 4.2Å; L102-L223 HydrophobicContact CD1-CG 3.79Å; L102-L223 HydrophobicContact CD2-CD2 3.45Å; L102-L223 VanDerWaalsContact CD2-CD2 3.45Å; L102-L223 HydrophobicContact CD2-CG 4.01Å; L102-L223 HydrophobicContact CG-CD2 4.47Å
103I97Very high95.4Very high99 Ų9941.9 Ų41.951%0.50822%0.216SC..Hα-helixtrans-62.5-46.5179.8-67.3164.6000110.4A99 V100 C105 I106 L107A99-I103 VanDerWaalsContact O-CG1 3.27Å; A99-I103 WeakPolarHBondContact O-CG1 3.15Å; A99-I103 PolarHBondContact O-N 3.31Å; V100-I103 PolarHBondContact O-N 2.87Å; I103-C105 PolarHBondContact O-N 3.35Å; I103-I106 PolarHBondContact O-N 3.34Å; I103-L107 HydrophobicContact CG2-CD1 3.88Å; I103-L107 HydrophobicContact CG2-CG 4.36Å; I103-L107 WeakPolarHBondContact O-CB 3.48Å; I103-L107 VanDerWaalsContact O-CG 3.29Å; I103-L107 WeakPolarHBondContact O-CG 3.43Å; I103-L107 PolarHBondContact O-N 2.91Å
104S96.5Very high95.7Very high4 Ų443.4 Ų43.43%0.02823%0.226CC..Hα-helixtrans-60.6-45.4177.157.60000111.1V100 G101 I106 L107 I108V100-S104 VanDerWaalsContact O-CB 3.29Å; V100-S104 WeakPolarHBondContact O-CB 3.45Å; V100-S104 PolarHBondContact O-N 3.38Å; V100-S104 PolarHBondContact O-OG 3.23Å; G101-S104 WeakPolarHBondContact CA-OG 3.42Å; G101-S104 PolarHBondContact O-OG 2.97Å; S104-I106 PolarHBondContact O-N 2.95Å; S104-L107 CarbonylContact O-C 3.33Å; S104-L107 PolarHBondContact O-N 3.17Å; S104-L107 VanDerWaalsContact O-N 3.15Å; S104-I108 WeakPolarHBondContact O-CG1 3.23Å; S104-I108 PolarHBondContact O-N 2.86Å
105C96.5Very high95.9Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-59.5-43.5176.9-162.60000112.5V28 G101 L102 I103 L107 I108 S109 I215 C219 L222V28-C105 HydrophobicContact CG2-CB 4.13Å; G101-C105 VanDerWaalsContact O-CB 3.26Å; G101-C105 WeakPolarHBondContact O-CB 3.34Å; G101-C105 PolarHBondContact O-N 2.89Å; L102-C105 PolarHBondContact O-N 3.44Å; I103-C105 PolarHBondContact O-N 3.35Å; C105-L107 PolarHBondContact O-N 2.96Å; C105-I108 PolarHBondContact O-N 3.39Å; C105-S109 PolarHBondContact O-N 2.92Å; C105-S109 VanDerWaalsContact O-N 3.08Å; C105-I215 VanDerWaalsContact O-CG2 3.23Å; C105-I215 WeakPolarHBondContact O-CG2 3.38Å; C105-C219 PolarHBondContact SG-SG 3.21Å; C105-L222 HydrophobicContact CB-CD1 3.71Å
106I97.2Very high96Very high69 Ų6946.1 Ų46.135%0.35425%0.253SS..Hα-helixtrans-60.6-46.9174.4-68.2166000110.5L102 I103 S104 I108 S109 Q110 C219L102-I106 HydrophobicContact CD1-CD1 4.12Å; L102-I106 HydrophobicContact CD1-CG1 4.44Å; L102-I106 HydrophobicContact CG-CD1 4.04Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 2.87Å; I103-I106 PolarHBondContact O-N 3.34Å; S104-I106 PolarHBondContact O-N 2.95Å; I106-I108 PolarHBondContact O-N 3.03Å; I106-S109 WeakPolarHBondContact O-CB 3.43Å; I106-S109 PolarHBondContact O-N 3.45Å; I106-S109 PolarHBondContact O-OG 3.06Å; I106-Q110 PolarHBondContact O-N 2.6Å; I106-C219 HydrophobicContact CG1-CB 4.49Å
107L97.6Very high96.1Very high65 Ų6547.5 Ų47.534%0.3425%0.252SS..Hα-helixtrans-64.9-39179-68.7173.5000111.9I103 S104 C105 S109 Q110 F111 L133I103-L107 HydrophobicContact CG2-CD1 3.88Å; I103-L107 HydrophobicContact CG2-CG 4.36Å; I103-L107 WeakPolarHBondContact O-CB 3.48Å; I103-L107 VanDerWaalsContact O-CG 3.29Å; I103-L107 WeakPolarHBondContact O-CG 3.43Å; I103-L107 PolarHBondContact O-N 2.91Å; S104-L107 CarbonylContact O-C 3.33Å; S104-L107 PolarHBondContact O-N 3.17Å; S104-L107 VanDerWaalsContact O-N 3.15Å; C105-L107 PolarHBondContact O-N 2.96Å; L107-S109 VanDerWaalsContact C-N 3.26Å; L107-S109 PolarHBondContact O-N 2.93Å; L107-Q110 PolarHBondContact O-N 3.11Å; L107-Q110 VanDerWaalsContact O-N 3.08Å; L107-F111 HydrophobicContact CB-CD2 4.38Å; L107-F111 HydrophobicContact CD2-CD2 4.1Å; L107-F111 HydrophobicContact CD2-CE2 3.84Å; L107-F111 WeakPolarHBondContact O-CD2 3.48Å; L107-F111 PolarHBondContact O-N 2.89Å; L107-L133 HydrophobicContact CB-CD1 3.8Å; L107-L133 HydrophobicContact CB-CD2 3.6Å; L107-L133 HydrophobicContact CB-CG 4.35Å; L107-L133 HydrophobicContact CD1-CD2 3.86Å; L107-L133 HydrophobicContact CG-CD2 4.39Å
108I97.1Very high96Very high0 Ų048.4 Ų48.40%026%0.258CS..Hα-helixtrans-59.3-43.6176.2-66.6167000108.8V28 L32 S104 C105 I106 Q110 F111 W112 L130 L133 A137 I215V28-I108 HydrophobicContact CG1-CD1 3.8Å; L32-I108 HydrophobicContact CD1-CD1 4.36Å; L32-I108 HydrophobicContact CD2-CG2 3.93Å; S104-I108 WeakPolarHBondContact O-CG1 3.23Å; S104-I108 PolarHBondContact O-N 2.86Å; C105-I108 PolarHBondContact O-N 3.39Å; I106-I108 PolarHBondContact O-N 3.03Å; I108-Q110 PolarHBondContact O-N 3.48Å; I108-F111 PolarHBondContact O-N 3.46Å; I108-W112 HydrophobicContact CG2-CB 4.22Å; I108-W112 VanDerWaalsContact O-CB 3.25Å; I108-W112 WeakPolarHBondContact O-CB 3.4Å; I108-W112 VanDerWaalsContact O-CD1 3.3Å; I108-W112 PolarHBondContact O-N 3.13Å; I108-L130 HydrophobicContact CG2-CD1 4.31Å; I108-L133 HydrophobicContact CD1-CB 4.24Å; I108-L133 HydrophobicContact CG1-CB 3.43Å; I108-L133 VanDerWaalsContact CG1-CB 3.43Å; I108-L133 HydrophobicContact CG1-CD1 4.18Å; I108-L133 HydrophobicContact CG1-CG 4.41Å; I108-A137 HydrophobicContact CD1-CB 4.22Å; I108-I215 HydrophobicContact CB-CG2 4.44Å; I108-I215 HydrophobicContact CG2-CD1 3.74Å; I108-I215 HydrophobicContact CG2-CG2 4.45Å
109S96.2Very high95.7Very high0 Ų052.3 Ų52.30%029%0.285CS..Hα-helixtrans-56.1-28.617984.10000113.5C105 I106 L107 S212 Y216C105-S109 PolarHBondContact O-N 2.92Å; C105-S109 VanDerWaalsContact O-N 3.08Å; I106-S109 WeakPolarHBondContact O-CB 3.43Å; I106-S109 PolarHBondContact O-N 3.45Å; I106-S109 PolarHBondContact O-OG 3.06Å; L107-S109 VanDerWaalsContact C-N 3.26Å; L107-S109 PolarHBondContact O-N 2.93Å; S109-S212 WeakPolarHBondContact O-CB 3.44Å; S109-S212 PolarHBondContact O-OG 3.45Å; S109-Y216 WeakPolarHBondContact OG-CE2 3.09Å; S109-Y216 PolarHBondContact OG-OH 3.37Å
110Q95.9Very high95.1Very high96 Ų9658 Ų5845%0.44931%0.309SS..Hα-helixtrans-96.9-33.7-177.6-62.2-52.5-70.500113.5I106 L107 I108 Y216I106-Q110 PolarHBondContact O-N 2.6Å; L107-Q110 PolarHBondContact O-N 3.11Å; L107-Q110 VanDerWaalsContact O-N 3.08Å; I108-Q110 PolarHBondContact O-N 3.48Å; Q110-Y216 PolarHBondContact NE2-OH 3.37Å
111F96.6Very high94.2Very high99 Ų9960.5 Ų60.543%0.43432%0.319SS..Hα-helixtrans-119.98.9-167.4-60.8-70.8000114.3L107 I108 N113 S114 L133L107-F111 HydrophobicContact CB-CD2 4.38Å; L107-F111 HydrophobicContact CD2-CD2 4.1Å; L107-F111 HydrophobicContact CD2-CE2 3.84Å; L107-F111 WeakPolarHBondContact O-CD2 3.48Å; L107-F111 PolarHBondContact O-N 2.89Å; I108-F111 PolarHBondContact O-N 3.46Å; F111-N113 PolarHBondContact O-N 3.02Å; F111-S114 VanDerWaalsContact O-CB 3.3Å; F111-S114 WeakPolarHBondContact O-CB 3.33Å; F111-S114 PolarHBondContact O-N 3.34Å; F111-S114 PolarHBondContact O-OG 3.46Å; F111-L133 HydrophobicContact CB-CD1 3.88Å
112W96.6Very high93.6Very high36 Ų3666.7 Ų66.714%0.13635%0.346CS..THydrogen-bonded Turntrans-58.7-29.8178.168-94.2000113.5L39 V42 L43 I108 L130 V211 S212L39-W112 HydrophobicContact CD2-CD2 4.22Å; L39-W112 HydrophobicContact CD2-CE3 3.46Å; L39-W112 VanDerWaalsContact CD2-CE3 3.46Å; L39-W112 HydrophobicContact CD2-CZ3 3.67Å; V42-W112 HydrophobicContact CG2-CH2 4.01Å; V42-W112 HydrophobicContact CG2-CZ3 3.69Å; L43-W112 HydrophobicContact CD2-CE3 4.15Å; L43-W112 HydrophobicContact CD2-CZ3 4.09Å; I108-W112 HydrophobicContact CG2-CB 4.22Å; I108-W112 VanDerWaalsContact O-CB 3.25Å; I108-W112 WeakPolarHBondContact O-CB 3.4Å; I108-W112 VanDerWaalsContact O-CD1 3.3Å; I108-W112 PolarHBondContact O-N 3.13Å; W112-L130 HydrophobicContact CB-CD1 4.39Å; W112-V211 HydrophobicContact CD2-CG1 4.38Å; W112-V211 HydrophobicContact CZ2-CB 4.18Å; W112-S212 PolarHBondContact NE1-OG 3.37Å
113N95.1Very high93.2Very high93 Ų9369.8 Ų69.850%0.49737%0.367SS..THydrogen-bonded Turntrans-926.4179.267.9-19.3000113.6F111 V115F111-N113 PolarHBondContact O-N 3.02Å; N113-V115 PolarHBondContact O-N 3.1Å
114S95.8Very high92.9Very high44 Ų4466 Ų6631%0.30835%0.353SS..  trans-78111.8-179.9-64.60000110.9F111 I128 G129F111-S114 VanDerWaalsContact O-CB 3.3Å; F111-S114 WeakPolarHBondContact O-CB 3.33Å; F111-S114 PolarHBondContact O-N 3.34Å; F111-S114 PolarHBondContact O-OG 3.46Å; S114-I128 PolarHBondContact O-N 2.9Å; S114-G129 PolarHBondContact O-N 2.84Å; S114-G129 VanDerWaalsContact O-N 3.07Å
115V96.3Very high92.9Very high75 Ų7572.7 Ų72.746%0.45538%0.379SS..  trans-109.7146-178.8-62.50000112P44 N113 Y125 Y126P44-V115 HydrophobicContact CG-CG1 3.95Å; N113-V115 PolarHBondContact O-N 3.1Å; V115-Y125 HydrophobicContact CG2-CD1 4.5Å; V115-Y126 CarbonylContact C-O 3.49Å; V115-Y126 WeakPolarHBondContact CA-O 3.49Å
116A95.9Very high92.8Very high42 Ų4273.4 Ų73.435%0.34738%0.382SS..EExtended strand (participates in β ladder)trans-136.4149.1173.900000111.1Y125 Y126 I128A116-Y125 WeakPolarHBondContact O-CA 3.2Å; A116-Y126 PolarHBondContact N-O 3.1Å; A116-Y126 PolarHBondContact O-N 2.99Å; A116-I128 HydrophobicContact CB-CB 4.38Å; A116-I128 HydrophobicContact CB-CG1 3.83Å
117Y95Very high92.8Very high137 Ų13770.1 Ų70.154%0.53737%0.365SS..EExtended strand (participates in β ladder)trans-78.8126.7176.4-171.7-93.8000110.3G124 Y125Y117-G124 WeakPolarHBondContact CA-O 3.4Å; Y117-Y125 HydrophobicContact CD2-CD2 4.09Å; Y117-Y125 HydrophobicContact CD2-CE1 4.36Å; Y117-Y125 AromaticContact CD2-CE2 3.91Å; Y117-Y125 HydrophobicContact CD2-CE2 3.91Å; Y117-Y125 HydrophobicContact CD2-CG 4.39Å
118V92.7Very high92.7Very high34 Ų3470 Ų7021%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-119121.9178.8-176.90000109L121 P123 G124 Y126 I128V118-L121 HydrophobicContact CG1-CB 4.48Å; V118-L121 HydrophobicContact CG1-CG 4.44Å; V118-P123 WeakPolarHBondContact O-CA 3.49Å; V118-G124 PolarHBondContact N-O 2.87Å; V118-G124 PolarHBondContact O-N 3.34Å; V118-Y126 HydrophobicContact CB-CD2 3.69Å; V118-Y126 HydrophobicContact CB-CE2 4.01Å; V118-Y126 HydrophobicContact CG2-CD2 3.8Å; V118-Y126 HydrophobicContact CG2-CG 4.43Å; V118-I128 HydrophobicContact CG2-CD1 4.04Å; V118-I128 HydrophobicContact CG2-CG1 4.45Å
119S88.4Confident92.6Very high84 Ų8470.7 Ų70.759%0.58737%0.371SS*.SBendtrans-94.1-18.2-179.1540000114.5
120I82.8Confident92.6Very high158 Ų15870.7 Ų70.781%0.8137%0.371SS*.SBendtrans-78-35.2-172.7-59169.2000112
121L76.6Confident92.7Very high111 Ų11167.3 Ų67.358%0.58136%0.355SS*.SBendtrans-85.5-157.3172.9-64175.8000109.4V118 P123V118-L121 HydrophobicContact CG1-CB 4.48Å; V118-L121 HydrophobicContact CG1-CG 4.44Å; L121-P123 WeakPolarHBondContact O-CD 3.45Å; L121-P123 VanDerWaalsContact O-N 3.12Å
122K83Confident92.7Very high132 Ų13265.9 Ų65.957%0.57435%0.354SS*.SBendtrans-57.2118.1165-178179.5-176.9-179.70108G124 Y126K122-G124 PolarHBondContact O-N 3.18Å; K122-Y126 WeakPolarHBondContact O-CE2 3.42Å; K122-Y126 PolarHBondContact O-OH 3.35Å
123P88Confident92.7Very high87 Ų8765 Ų6557%0.56535%0.352SS*.SBendtrans-56.5125.5-175.1-27.135.5000111.2V118 L121V118-P123 WeakPolarHBondContact O-CA 3.49Å; L121-P123 WeakPolarHBondContact O-CD 3.45Å; L121-P123 VanDerWaalsContact O-N 3.12Å
124G91.5Very high92.8Very high20 Ų2060.7 Ų60.721%0.20633%0.329CS..EExtended strand (participates in β ladder)trans172.8174.2-175.500000112.9Y117 V118 K122 Y126Y117-G124 WeakPolarHBondContact CA-O 3.4Å; V118-G124 PolarHBondContact N-O 2.87Å; V118-G124 PolarHBondContact O-N 3.34Å; K122-G124 PolarHBondContact O-N 3.18Å; G124-Y126 VanDerWaalsContact O-CD2 3.32Å; G124-Y126 WeakPolarHBondContact O-CD2 3.27Å; G124-Y126 WeakPolarHBondContact O-CE2 3.46Å
125Y95.4Very high92.8Very high144 Ų14461 Ų6157%0.56533%0.327SS*.EExtended strand (participates in β ladder)trans-83.8140.4170.5-70.6-87.4000109.9P44 V115 A116 Y117P44-Y125 VanDerWaalsContact CB-O 3.24Å; P44-Y125 WeakPolarHBondContact CB-O 3.36Å; P44-Y125 VanDerWaalsContact CG-O 3.3Å; P44-Y125 WeakPolarHBondContact CG-O 3.35Å; V115-Y125 HydrophobicContact CG2-CD1 4.5Å; A116-Y125 WeakPolarHBondContact O-CA 3.2Å; Y117-Y125 HydrophobicContact CD2-CD2 4.09Å; Y117-Y125 HydrophobicContact CD2-CE1 4.36Å; Y117-Y125 AromaticContact CD2-CE2 3.91Å; Y117-Y125 HydrophobicContact CD2-CE2 3.91Å; Y117-Y125 HydrophobicContact CD2-CG 4.39Å
126Y95.6Very high92.8Very high16 Ų1662.3 Ų62.36%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-133.4150178.7-67.7-89.4000110.8E45 Y52 V115 A116 V118 K122 G124 I128 F131E45-Y126 HydrophobicContact CG-CD1 4.33Å; E45-Y126 VanDerWaalsContact OE1-CA 3.24Å; E45-Y126 WeakPolarHBondContact OE1-CA 3.37Å; Y52-Y126 HydrophobicContact CE1-CD1 4.46Å; Y52-Y126 HydrophobicContact CE1-CE1 4.09Å; Y52-Y126 AromaticContact CZ-CE1 3.97Å; V115-Y126 CarbonylContact C-O 3.49Å; V115-Y126 WeakPolarHBondContact CA-O 3.49Å; A116-Y126 PolarHBondContact N-O 3.1Å; A116-Y126 PolarHBondContact O-N 2.99Å; V118-Y126 HydrophobicContact CB-CD2 3.69Å; V118-Y126 HydrophobicContact CB-CE2 4.01Å; V118-Y126 HydrophobicContact CG2-CD2 3.8Å; V118-Y126 HydrophobicContact CG2-CG 4.43Å; K122-Y126 WeakPolarHBondContact O-CE2 3.42Å; K122-Y126 PolarHBondContact O-OH 3.35Å; G124-Y126 VanDerWaalsContact O-CD2 3.32Å; G124-Y126 WeakPolarHBondContact O-CD2 3.27Å; G124-Y126 WeakPolarHBondContact O-CE2 3.46Å; Y126-I128 PolarHBondContact O-N 2.93Å; Y126-F131 HydrophobicContact CD1-CE2 4.27Å
127S96.6Very high92.8Very high0 Ų060.3 Ų60.30%031%0.311CS..  trans-76.458.3-179.5-57.40000112P44 E45 G129 L130 F131P44-S127 WeakPolarHBondContact CD-OG 3.43Å; E45-S127 PolarHBondContact OE1-N 3.06Å; E45-S127 PolarHBondContact OE1-OG 3.13Å; E45-S127 PolarHBondContact OE2-OG 3.17Å; S127-G129 VanDerWaalsContact C-N 3.26Å; S127-G129 PolarHBondContact O-N 3.47Å; S127-L130 PolarHBondContact O-N 3.25Å; S127-L130 VanDerWaalsContact O-N 3.12Å; S127-F131 WeakPolarHBondContact O-CG 3.21Å; S127-F131 PolarHBondContact O-N 3.46Å
128I95Very high92.8Very high62 Ų6253.9 Ų53.932%0.31829%0.286SS..Hα-helixtrans-57.4-38.2-173.6-60.9-52.9000112.2S114 A116 V118 Y126 F131 V132S114-I128 PolarHBondContact O-N 2.9Å; A116-I128 HydrophobicContact CB-CB 4.38Å; A116-I128 HydrophobicContact CB-CG1 3.83Å; V118-I128 HydrophobicContact CG2-CD1 4.04Å; V118-I128 HydrophobicContact CG2-CG1 4.45Å; Y126-I128 PolarHBondContact O-N 2.93Å; I128-F131 HydrophobicContact CD1-CD2 4.34Å; I128-F131 PolarHBondContact O-N 2.9Å; I128-V132 HydrophobicContact CG2-CG2 4.02Å; I128-V132 WeakPolarHBondContact O-CB 3.48Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 3.09Å
129G94.7Very high92.9Very high15 Ų1554.7 Ų54.716%0.15529%0.288CS..Hα-helixtrans-59.5-50.6176.500000111.9S114 S127 F131 L133S114-G129 PolarHBondContact O-N 2.84Å; S114-G129 VanDerWaalsContact O-N 3.07Å; S127-G129 VanDerWaalsContact C-N 3.26Å; S127-G129 PolarHBondContact O-N 3.47Å; G129-F131 PolarHBondContact O-N 3.1Å; G129-L133 WeakPolarHBondContact O-CB 3.32Å; G129-L133 WeakPolarHBondContact O-CD1 3.49Å; G129-L133 VanDerWaalsContact O-CG 3.22Å; G129-L133 WeakPolarHBondContact O-CG 3.32Å; G129-L133 PolarHBondContact O-N 3.26Å
130L97.2Very high93.1Very high0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-60.8-45.1175.5-179.162.6000111.5L32 L39 L43 L49 L53 I108 W112 S127 L133 A134L32-L130 HydrophobicContact CD1-CD1 4.39Å; L32-L130 HydrophobicContact CD2-CD1 3.84Å; L39-L130 HydrophobicContact CD1-CD2 4.37Å; L43-L130 HydrophobicContact CD1-CD2 3.49Å; L43-L130 VanDerWaalsContact CD1-CD2 3.49Å; L49-L130 HydrophobicContact CD1-CD2 4.19Å; L49-L130 HydrophobicContact CD2-CD2 4.5Å; L53-L130 HydrophobicContact CD2-CD2 4.41Å; L53-L130 HydrophobicContact CD2-CG 4.33Å; I108-L130 HydrophobicContact CG2-CD1 4.31Å; W112-L130 HydrophobicContact CB-CD1 4.39Å; S127-L130 PolarHBondContact O-N 3.25Å; S127-L130 VanDerWaalsContact O-N 3.12Å; L130-L133 PolarHBondContact O-N 3Å; L130-A134 WeakPolarHBondContact O-CA 3.49Å; L130-A134 WeakPolarHBondContact O-CB 3.31Å; L130-A134 PolarHBondContact O-N 3.06Å
131F97.1Very high93.6Very high24 Ų2443.5 Ų43.511%0.10522%0.224CC..Hα-helixtrans-64.7-46.7-176.3-67-16.6000113.7E45 L49 Y52 L53 I56 Y126 S127 I128 G129 L133 L135E45-F131 HydrophobicContact CG-CZ 3.87Å; E45-F131 WeakPolarHBondContact OE1-CE2 3.13Å; E45-F131 WeakPolarHBondContact OE1-CZ 3.34Å; L49-F131 HydrophobicContact CD1-CE1 3.82Å; L49-F131 HydrophobicContact CD1-CZ 4.35Å; Y52-F131 HydrophobicContact CD1-CE2 4.27Å; Y52-F131 HydrophobicContact CD1-CZ 4.08Å; Y52-F131 HydrophobicContact CD2-CZ 4.44Å; Y52-F131 HydrophobicContact CG-CE1 4.43Å; Y52-F131 HydrophobicContact CG-CE2 4.46Å; Y52-F131 AromaticContact CG-CZ 3.82Å; Y52-F131 HydrophobicContact CG-CZ 3.82Å; L53-F131 HydrophobicContact CD2-CD1 4.23Å; L53-F131 HydrophobicContact CD2-CE1 4.45Å; I56-F131 HydrophobicContact CD1-CB 3.59Å; I56-F131 HydrophobicContact CD1-CD1 3.48Å; I56-F131 VanDerWaalsContact CD1-CD1 3.48Å; I56-F131 HydrophobicContact CD1-CD2 4.47Å; I56-F131 HydrophobicContact CD1-CE1 4.25Å; I56-F131 HydrophobicContact CD1-CG 3.61Å; Y126-F131 HydrophobicContact CD1-CE2 4.27Å; S127-F131 WeakPolarHBondContact O-CG 3.21Å; S127-F131 PolarHBondContact O-N 3.46Å; I128-F131 HydrophobicContact CD1-CD2 4.34Å; I128-F131 PolarHBondContact O-N 2.9Å; G129-F131 PolarHBondContact O-N 3.1Å; F131-L133 VanDerWaalsContact C-N 3.35Å; F131-L135 PolarHBondContact O-N 2.99Å
132V96.6Very high94.3Very high70 Ų7038.8 Ų38.842%0.42420%0.2SC..Hα-helixtrans-64.4-43.8179.2171.90000110.2I128 L135 F136I128-V132 HydrophobicContact CG2-CG2 4.02Å; I128-V132 WeakPolarHBondContact O-CB 3.48Å; I128-V132 WeakPolarHBondContact O-CG2 3.39Å; I128-V132 PolarHBondContact O-N 3.09Å; V132-L135 WeakPolarHBondContact O-CB 3.21Å; V132-L135 PolarHBondContact O-N 3.39Å; V132-F136 HydrophobicContact CG1-CD2 4.21Å; V132-F136 HydrophobicContact CG1-CE2 3.82Å; V132-F136 WeakPolarHBondContact O-CD2 3.49Å; V132-F136 PolarHBondContact O-N 3.24Å
133L97.1Very high94.7Very high18 Ų1833 Ų339%0.09418%0.175CC..Hα-helixtrans-75.7-34.6-177.3-63.4170.8000112.7L107 I108 F111 G129 L130 F131 L135 F136 A137L107-L133 HydrophobicContact CB-CD1 3.8Å; L107-L133 HydrophobicContact CB-CD2 3.6Å; L107-L133 HydrophobicContact CB-CG 4.35Å; L107-L133 HydrophobicContact CD1-CD2 3.86Å; L107-L133 HydrophobicContact CG-CD2 4.39Å; I108-L133 HydrophobicContact CD1-CB 4.24Å; I108-L133 HydrophobicContact CG1-CB 3.43Å; I108-L133 VanDerWaalsContact CG1-CB 3.43Å; I108-L133 HydrophobicContact CG1-CD1 4.18Å; I108-L133 HydrophobicContact CG1-CG 4.41Å; F111-L133 HydrophobicContact CB-CD1 3.88Å; G129-L133 WeakPolarHBondContact O-CB 3.32Å; G129-L133 WeakPolarHBondContact O-CD1 3.49Å; G129-L133 VanDerWaalsContact O-CG 3.22Å; G129-L133 WeakPolarHBondContact O-CG 3.32Å; G129-L133 PolarHBondContact O-N 3.26Å; L130-L133 PolarHBondContact O-N 3Å; F131-L133 VanDerWaalsContact C-N 3.35Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.27Å; L133-F136 PolarHBondContact O-N 3.5Å; L133-A137 PolarHBondContact O-N 3.24Å
134A96.9Very high94.8Very high2 Ų228.9 Ų28.92%0.01715%0.149CC..Hα-helixtrans-63.1-32.7170.500000111.6L32 L53 I56 L130 S138L32-A134 HydrophobicContact CD1-CB 3.89Å; L53-A134 HydrophobicContact CD2-CB 3.95Å; I56-A134 HydrophobicContact CG2-CB 4.4Å; L130-A134 WeakPolarHBondContact O-CA 3.49Å; L130-A134 WeakPolarHBondContact O-CB 3.31Å; L130-A134 PolarHBondContact O-N 3.06Å; A134-S138 WeakPolarHBondContact O-CB 3.49Å; A134-S138 PolarHBondContact O-N 2.82Å; A134-S138 PolarHBondContact O-OG 2.9Å
135L96.9Very high94.4Very high51 Ų5130.4 Ų30.427%0.26716%0.156SC..Hα-helixtrans-62.5-47.6172.6178.464.4000111.4I56 I59 A60 F131 V132 L133 S138 I139I56-L135 HydrophobicContact CG2-CB 3.73Å; I56-L135 HydrophobicContact CG2-CD1 4.15Å; I59-L135 HydrophobicContact CB-CD1 4.29Å; I59-L135 HydrophobicContact CG2-CD1 3.92Å; A60-L135 HydrophobicContact CB-CD1 4.12Å; F131-L135 PolarHBondContact O-N 2.99Å; V132-L135 WeakPolarHBondContact O-CB 3.21Å; V132-L135 PolarHBondContact O-N 3.39Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.27Å; L135-S138 PolarHBondContact O-N 3.49Å; L135-I139 HydrophobicContact CD1-CD1 4.3Å; L135-I139 HydrophobicContact CD1-CG1 4.45Å; L135-I139 HydrophobicContact CG-CD1 4.13Å; L135-I139 VanDerWaalsContact O-CG1 3.3Å; L135-I139 WeakPolarHBondContact O-CG1 3.23Å; L135-I139 PolarHBondContact O-N 3.19Å
136F96Very high93.9Very high102 Ų10225.9 Ų25.945%0.44714%0.144SC..Hα-helixtrans-62.8-44.3177.4-75.1-73.1000112.3V132 L133 S138 I139 V140V132-F136 HydrophobicContact CG1-CD2 4.21Å; V132-F136 HydrophobicContact CG1-CE2 3.82Å; V132-F136 WeakPolarHBondContact O-CD2 3.49Å; V132-F136 PolarHBondContact O-N 3.24Å; L133-F136 PolarHBondContact O-N 3.5Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 3.44Å; F136-I139 PolarHBondContact O-N 2.79Å; F136-V140 WeakPolarHBondContact O-CG2 3.28Å; F136-V140 PolarHBondContact O-N 3.3Å; F136-V140 VanDerWaalsContact O-N 3.15Å
137A96.1Very high93.5Very high0 Ų025.1 Ų25.10%014%0.141CC..Hα-helixtrans-60.4-43.2174.100000111.7V28 I108 L133 I139 V140 D141V28-A137 HydrophobicContact CB-CB 4.07Å; V28-A137 HydrophobicContact CG1-CB 3.56Å; I108-A137 HydrophobicContact CD1-CB 4.22Å; L133-A137 PolarHBondContact O-N 3.24Å; A137-I139 VanDerWaalsContact C-N 3.33Å; A137-I139 PolarHBondContact O-N 2.99Å; A137-V140 WeakPolarHBondContact O-CB 3.29Å; A137-V140 PolarHBondContact O-N 3.41Å; A137-D141 VanDerWaalsContact O-CG 3.29Å; A137-D141 PolarHBondContact O-N 3.21Å
138S95.4Very high93.2Very high2 Ų225.4 Ų25.41%0.01414%0.142CC..Hα-helixtrans-67.3-32.8178.1-56.90000112.5V57 A60 A134 L135 F136 V140 D141 C142V57-S138 WeakPolarHBondContact CG2-OG 3.49Å; A60-S138 VanDerWaalsContact CB-C 3.42Å; A134-S138 WeakPolarHBondContact O-CB 3.49Å; A134-S138 PolarHBondContact O-N 2.82Å; A134-S138 PolarHBondContact O-OG 2.9Å; L135-S138 PolarHBondContact O-N 3.49Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 3.44Å; S138-V140 VanDerWaalsContact C-N 3.32Å; S138-D141 PolarHBondContact O-N 3.31Å; S138-C142 WeakPolarHBondContact O-CB 3.29Å; S138-C142 PolarHBondContact O-N 3.04Å; S138-C142 PolarHBondContact O-SG 3.34Å
139I93.9Very high92.8Very high50 Ų5025.6 Ų25.626%0.25614%0.143SC..Hα-helixtrans-65.4-42.3176.3-73.8167.3000109.4A60 L135 F136 A137 T143A60-I139 HydrophobicContact CB-CB 4.47Å; A60-I139 HydrophobicContact CB-CG1 3.75Å; L135-I139 HydrophobicContact CD1-CD1 4.3Å; L135-I139 HydrophobicContact CD1-CG1 4.45Å; L135-I139 HydrophobicContact CG-CD1 4.13Å; L135-I139 VanDerWaalsContact O-CG1 3.3Å; L135-I139 WeakPolarHBondContact O-CG1 3.23Å; L135-I139 PolarHBondContact O-N 3.19Å; F136-I139 PolarHBondContact O-N 2.79Å; A137-I139 VanDerWaalsContact C-N 3.33Å; A137-I139 PolarHBondContact O-N 2.99Å; I139-T143 WeakPolarHBondContact O-CB 3.43Å; I139-T143 PolarHBondContact O-N 3.25Å; I139-T143 PolarHBondContact O-OG1 3.31Å
140V93.8Very high92.2Very high6 Ų627.2 Ų27.24%0.03615%0.15CC..Hα-helixtrans-58.3-51.1173.5163.50000109.9I97 V100 F136 A137 S138 T143 S144I97-V140 HydrophobicContact CG2-CB 4.27Å; I97-V140 HydrophobicContact CG2-CG1 3.58Å; I97-V140 WeakPolarHBondContact O-CG1 3.4Å; I97-V140 WeakPolarHBondContact O-CG2 3.36Å; V100-V140 HydrophobicContact CB-CG2 3.88Å; V100-V140 HydrophobicContact CG1-CG2 3.67Å; F136-V140 WeakPolarHBondContact O-CG2 3.28Å; F136-V140 PolarHBondContact O-N 3.3Å; F136-V140 VanDerWaalsContact O-N 3.15Å; A137-V140 WeakPolarHBondContact O-CB 3.29Å; A137-V140 PolarHBondContact O-N 3.41Å; S138-V140 VanDerWaalsContact C-N 3.32Å; V140-T143 PolarHBondContact O-N 3.26Å; V140-S144 WeakPolarHBondContact O-CB 3.48Å; V140-S144 PolarHBondContact O-N 3.41Å; V140-S144 PolarHBondContact O-OG 2.96Å
141D92.8Very high91.8Very high2 Ų227.3 Ų27.31%0.01115%0.15CC..Hα-helixtrans-68.8-41.6-173.9-66.60.1000112.8S25 W26 V29 A137 S138 T143 S144 S145S25-D141 WeakPolarHBondContact O-CA 3.27Å; S25-D141 WeakPolarHBondContact O-CB 3.42Å; S25-D141 VanDerWaalsContact O-CG 3.3Å; S25-D141 VanDerWaalsContact O-OD1 3.09Å; W26-D141 HydrophobicContact CD2-CB 4.36Å; W26-D141 HydrophobicContact CG-CB 4.46Å; V29-D141 WeakPolarHBondContact CB-OD2 3.47Å; V29-D141 HydrophobicContact CG2-CB 4.29Å; V29-D141 WeakPolarHBondContact CG2-OD2 3.36Å; V29-D141 PolarHBondContact N-OD2 2.8Å; V29-D141 VanDerWaalsContact N-OD2 3.16Å; A137-D141 VanDerWaalsContact O-CG 3.29Å; A137-D141 PolarHBondContact O-N 3.21Å; S138-D141 PolarHBondContact O-N 3.31Å; D141-T143 VanDerWaalsContact C-N 3.35Å; D141-T143 PolarHBondContact O-N 2.58Å; D141-S144 PolarHBondContact O-OG 3.38Å; D141-S145 PolarHBondContact O-OG 3.17Å; D141-S145 VanDerWaalsContact O-OG 3.06Å
142C90.6Very high91.2Very high11 Ų1126.3 Ų26.37%0.07415%0.146CC..Hα-helixtrans-66.9-36.2175.2-66.40000112N61 P64 S138N61-C142 PolarHBondContact OD1-SG 2.67Å; P64-C142 HydrophobicContact CG-CB 4.14Å; P64-C142 VanDerWaalsContact CG-O 3.23Å; P64-C142 WeakPolarHBondContact CG-O 3.14Å; S138-C142 WeakPolarHBondContact O-CB 3.29Å; S138-C142 PolarHBondContact O-N 3.04Å; S138-C142 PolarHBondContact O-SG 3.34Å
143T91.1Very high90.4Very high11 Ų1128.1 Ų28.17%0.06715%0.153CC..Hα-helixtrans-77.3-38.4-178.8-49.60000112.2G63 P64 Y67 I97 I139 V140 D141 S145 V146 T147G63-T143 WeakPolarHBondContact CA-OG1 3.38Å; P64-T143 WeakPolarHBondContact CD-OG1 3.23Å; Y67-T143 HydrophobicContact CG-CG2 4.22Å; I97-T143 HydrophobicContact CD1-CG2 3.64Å; I97-T143 HydrophobicContact CG1-CG2 4.39Å; I139-T143 WeakPolarHBondContact O-CB 3.43Å; I139-T143 PolarHBondContact O-N 3.25Å; I139-T143 PolarHBondContact O-OG1 3.31Å; V140-T143 PolarHBondContact O-N 3.26Å; D141-T143 VanDerWaalsContact C-N 3.35Å; D141-T143 PolarHBondContact O-N 2.58Å; T143-S145 PolarHBondContact O-N 3.04Å; T143-V146 PolarHBondContact O-N 3.45Å; T143-T147 HydrophobicContact CG2-CG2 3.98Å; T143-T147 PolarHBondContact O-N 3.37Å; T143-T147 VanDerWaalsContact O-N 3.08Å; T143-T147 PolarHBondContact O-OG1 3.2Å
144S90.9Very high89.2Confident1 Ų129 Ų291%0.00717%0.166CC..Hα-helixtrans-56.7-38.4178.871.20000112S25 V140 D141 V146 T147 F148S25-S144 PolarHBondContact O-OG 3.44Å; V140-S144 WeakPolarHBondContact O-CB 3.48Å; V140-S144 PolarHBondContact O-N 3.41Å; V140-S144 PolarHBondContact O-OG 2.96Å; D141-S144 PolarHBondContact O-OG 3.38Å; S144-V146 PolarHBondContact O-N 3.19Å; S144-V146 VanDerWaalsContact O-N 3.08Å; S144-T147 PolarHBondContact O-N 2.97Å; S144-F148 WeakPolarHBondContact O-CB 3.34Å; S144-F148 VanDerWaalsContact O-CD1 3.31Å; S144-F148 WeakPolarHBondContact O-CD1 3.45Å; S144-F148 VanDerWaalsContact O-CG 3.23Å; S144-F148 WeakPolarHBondContact O-CG 3.43Å; S144-F148 PolarHBondContact O-N 3.49Å
145S83.5Confident88.5Confident52 Ų5229.7 Ų29.736%0.36417%0.169SC..Hα-helixtrans-56.6-25.6177.4-57.60000113.5W26 D141 T143W26-S145 PolarHBondContact NE1-OG 3.25Å; D141-S145 PolarHBondContact O-OG 3.17Å; D141-S145 VanDerWaalsContact O-OG 3.06Å; T143-S145 PolarHBondContact O-N 3.04Å
146V84Confident87.7Confident49 Ų4929.1 Ų29.130%0.29717%0.169SC..Hα-helixtrans-96.3-46.5175.9-178.10000111P64 V68 T143 S144 I149 T150P64-V146 HydrophobicContact CB-CG2 4.23Å; P64-V146 HydrophobicContact CG-CG2 4.46Å; V68-V146 HydrophobicContact CG2-CG1 4.4Å; T143-V146 PolarHBondContact O-N 3.45Å; S144-V146 PolarHBondContact O-N 3.19Å; S144-V146 VanDerWaalsContact O-N 3.08Å; V146-I149 WeakPolarHBondContact O-CG2 3.47Å; V146-T150 WeakPolarHBondContact O-CG2 3.35Å; V146-T150 PolarHBondContact O-N 3.4Å; V146-T150 PolarHBondContact O-OG1 3.41Å; V146-T150 VanDerWaalsContact O-OG1 3.06Å
147T88.5Confident86.6Confident0 Ų032.4 Ų32.40%019%0.186CC..Hα-helixtrans-75.7-28.3-171.261.90000113.5Y67 A93 N94 I97 T143 S144 T150 Y151Y67-T147 HydrophobicContact CD1-CG2 3.86Å; Y67-T147 HydrophobicContact CD2-CG2 4.27Å; Y67-T147 HydrophobicContact CE1-CG2 3.47Å; Y67-T147 VanDerWaalsContact CE1-CG2 3.47Å; Y67-T147 HydrophobicContact CE2-CG2 3.93Å; Y67-T147 HydrophobicContact CG-CG2 4.24Å; Y67-T147 VanDerWaalsContact CZ-CG2 3.5Å; A93-T147 HydrophobicContact CB-CG2 4.12Å; N94-T147 WeakPolarHBondContact OD1-CB 3.31Å; N94-T147 PolarHBondContact OD1-OG1 2.94Å; I97-T147 HydrophobicContact CD1-CG2 3.9Å; I97-T147 VanDerWaalsContact CD1-OG1 3.3Å; I97-T147 WeakPolarHBondContact CD1-OG1 3.4Å; T143-T147 HydrophobicContact CG2-CG2 3.98Å; T143-T147 PolarHBondContact O-N 3.37Å; T143-T147 VanDerWaalsContact O-N 3.08Å; T143-T147 PolarHBondContact O-OG1 3.2Å; S144-T147 PolarHBondContact O-N 2.97Å; T147-T150 WeakPolarHBondContact CA-OG1 3.23Å; T147-T150 PolarHBondContact O-OG1 3.05Å; T147-Y151 WeakPolarHBondContact O-CB 3.28Å; T147-Y151 PolarHBondContact O-N 3.49Å
148F90.3Very high86Confident5 Ų537.3 Ų37.32%0.02221%0.211CC..Hα-helixtrans-72.5-42.8-175.2-7319.3000111.4Y21 N94 I97 L98 S144 L163Y21-F148 HydrophobicContact CD1-CD2 4.44Å; Y21-F148 HydrophobicContact CD2-CD2 4.28Å; Y21-F148 AromaticContact CD2-CE2 3.92Å; Y21-F148 HydrophobicContact CD2-CE2 3.92Å; Y21-F148 HydrophobicContact CD2-CZ 4.09Å; Y21-F148 HydrophobicContact CE1-CB 3.88Å; Y21-F148 HydrophobicContact CE1-CD1 4.37Å; Y21-F148 AromaticContact CE1-CD2 3.92Å; Y21-F148 HydrophobicContact CE1-CD2 3.92Å; Y21-F148 AromaticContact CE1-CG 3.82Å; Y21-F148 HydrophobicContact CE1-CG 3.82Å; Y21-F148 AromaticContact CE2-CD1 3.75Å; Y21-F148 HydrophobicContact CE2-CD1 3.75Å; Y21-F148 AromaticContact CE2-CD2 3.72Å; Y21-F148 HydrophobicContact CE2-CD2 3.72Å; Y21-F148 AromaticContact CE2-CE1 3.51Å; Y21-F148 HydrophobicContact CE2-CE1 3.51Å; Y21-F148 AromaticContact CE2-CE2 3.5Å; Y21-F148 HydrophobicContact CE2-CE2 3.5Å; Y21-F148 AromaticContact CE2-CG 3.83Å; Y21-F148 HydrophobicContact CE2-CG 3.83Å; Y21-F148 AromaticContact CE2-CZ 3.38Å; Y21-F148 HydrophobicContact CE2-CZ 3.38Å; Y21-F148 AromaticContact CZ-CD1 3.42Å; Y21-F148 VanDerWaalsContact CZ-CD1 3.42Å; Y21-F148 AromaticContact CZ-CD2 3.54Å; Y21-F148 AromaticContact CZ-CE1 3.72Å; Y21-F148 AromaticContact CZ-CE2 3.86Å; Y21-F148 AromaticContact CZ-CG 3.29Å; Y21-F148 AromaticContact CZ-CZ 3.93Å; Y21-F148 WeakPolarHBondContact O-CE2 3.47Å; Y21-F148 WeakPolarHBondContact OH-CA 3.47Å; Y21-F148 WeakPolarHBondContact OH-CB 3.42Å; Y21-F148 WeakPolarHBondContact OH-CD1 3.25Å; Y21-F148 WeakPolarHBondContact OH-CE1 3.17Å; Y21-F148 WeakPolarHBondContact OH-CG 3.21Å; N94-F148 VanDerWaalsContact OD1-CD1 3.29Å; N94-F148 WeakPolarHBondContact OD1-CD1 3.33Å; I97-F148 HydrophobicContact CG2-CE1 4.18Å; L98-F148 HydrophobicContact CD2-CZ 4.05Å; L98-F148 HydrophobicContact CG-CZ 4.32Å; S144-F148 WeakPolarHBondContact O-CB 3.34Å; S144-F148 VanDerWaalsContact O-CD1 3.31Å; S144-F148 WeakPolarHBondContact O-CD1 3.45Å; S144-F148 VanDerWaalsContact O-CG 3.23Å; S144-F148 WeakPolarHBondContact O-CG 3.43Å; S144-F148 PolarHBondContact O-N 3.49Å; F148-L163 HydrophobicContact CB-CD1 4Å; F148-L163 HydrophobicContact CB-CD2 3.9Å; F148-L163 HydrophobicContact CD2-CD1 4.14Å
149I85.3Confident85.5Confident67 Ų6737.3 Ų37.334%0.34421%0.211SC..Hα-helixtrans-72.1-36.9176.8-166.6167.7000111.6V146 Y151 L152 V160 L163V146-I149 WeakPolarHBondContact O-CG2 3.47Å; I149-Y151 VanDerWaalsContact C-N 3.34Å; I149-Y151 PolarHBondContact O-N 3.11Å; I149-L152 PolarHBondContact O-N 2.99Å; I149-V160 HydrophobicContact CD1-CG1 3.9Å; I149-V160 HydrophobicContact CG1-CG1 4.14Å; I149-L163 HydrophobicContact CB-CD2 4.1Å
150T83.3Confident84.9Confident49 Ų4936.7 Ų36.730%0.30121%0.209SC..Hα-helixtrans-71.5-28.4178.955.60000112.8E90 V146 T147 L152 N153E90-T150 WeakPolarHBondContact CG-OG1 3.46Å; E90-T150 PolarHBondContact OE1-OG1 2.96Å; V146-T150 WeakPolarHBondContact O-CG2 3.35Å; V146-T150 PolarHBondContact O-N 3.4Å; V146-T150 PolarHBondContact O-OG1 3.41Å; V146-T150 VanDerWaalsContact O-OG1 3.06Å; T147-T150 WeakPolarHBondContact CA-OG1 3.23Å; T147-T150 PolarHBondContact O-OG1 3.05Å; T150-L152 PolarHBondContact O-N 3.33Å; T150-N153 WeakPolarHBondContact O-CB 3.47Å; T150-N153 PolarHBondContact O-N 3.19Å; T150-N153 VanDerWaalsContact O-N 3.14Å
151Y87.1Confident84.4Confident2 Ų238.2 Ų38.21%0.00823%0.227CC..Hα-helixtrans-60.8-32.5172.5-178.3-103.4000112.3E90 R91 N94 T147 I149 N153 F229 L232 D233 I243E90-Y151 HydrophobicContact CB-CD2 4.11Å; R91-Y151 HydrophobicContact CB-CE2 4.26Å; N94-Y151 WeakPolarHBondContact ND2-CB 3.28Å; T147-Y151 WeakPolarHBondContact O-CB 3.28Å; T147-Y151 PolarHBondContact O-N 3.49Å; I149-Y151 VanDerWaalsContact C-N 3.34Å; I149-Y151 PolarHBondContact O-N 3.11Å; Y151-N153 PolarHBondContact O-N 3.24Å; Y151-F229 AromaticContact CD1-CE2 3.94Å; Y151-F229 HydrophobicContact CD1-CE2 3.94Å; Y151-F229 HydrophobicContact CD2-CE2 4.33Å; Y151-F229 HydrophobicContact CD2-CZ 4.41Å; Y151-F229 HydrophobicContact CE1-CD2 4.49Å; Y151-F229 AromaticContact CE1-CE2 3.65Å; Y151-F229 HydrophobicContact CE1-CE2 3.65Å; Y151-F229 HydrophobicContact CE1-CZ 4.41Å; Y151-F229 HydrophobicContact CE2-CE2 4.06Å; Y151-F229 HydrophobicContact CE2-CZ 4.03Å; Y151-F229 HydrophobicContact CG-CE2 4.27Å; Y151-F229 AromaticContact CZ-CE2 3.71Å; Y151-L232 HydrophobicContact CE1-CD2 3.99Å; Y151-D233 WeakPolarHBondContact OH-CB 3.28Å; Y151-D233 PolarHBondContact OH-OD1 3.26Å; Y151-I243 HydrophobicContact CD1-CD1 3.78Å; Y151-I243 HydrophobicContact CD2-CG2 4.46Å; Y151-I243 HydrophobicContact CE1-CD1 3.36Å; Y151-I243 HydrophobicContact CE2-CD1 4.43Å; Y151-I243 HydrophobicContact CE2-CG2 4.31Å; Y151-I243 HydrophobicContact CG-CD1 4.46Å; Y151-I243 WeakPolarHBondContact O-CD1 3.19Å; Y151-I243 WeakPolarHBondContact O-CG2 3.44Å
152L86Confident84.2Confident3 Ų338.7 Ų38.72%0.01623%0.231CC..THydrogen-bonded Turntrans-85.812.1179.1-59.7176.8000113.5V18 I149 T150 G154 M155 V160 L163 L239 I243V18-L152 HydrophobicContact CG1-CD1 3.74Å; V18-L152 HydrophobicContact CG2-CD2 4.15Å; I149-L152 PolarHBondContact O-N 2.99Å; T150-L152 PolarHBondContact O-N 3.33Å; L152-G154 PolarHBondContact O-N 2.91Å; L152-M155 VanDerWaalsContact O-CB 3.29Å; L152-M155 WeakPolarHBondContact O-CB 3.39Å; L152-M155 WeakPolarHBondContact O-CG 3.4Å; L152-M155 PolarHBondContact O-N 3.14Å; L152-M155 VanDerWaalsContact O-N 3.11Å; L152-V160 HydrophobicContact CB-CG2 4.5Å; L152-L163 HydrophobicContact CD1-CB 4.03Å; L152-L163 HydrophobicContact CD1-CD2 4.1Å; L152-L163 HydrophobicContact CD1-CG 4.5Å; L152-L239 HydrophobicContact CD2-CD1 4.09Å; L152-I243 HydrophobicContact CD2-CD1 4.29Å
153N78.7Confident84.2Confident108 Ų10838.5 Ų38.558%0.57823%0.229SC*.THydrogen-bonded Turntrans-60.7134.3179.8-170.419.4000111.5T150 Y151 M155T150-N153 WeakPolarHBondContact O-CB 3.47Å; T150-N153 PolarHBondContact O-N 3.19Å; T150-N153 VanDerWaalsContact O-N 3.14Å; Y151-N153 PolarHBondContact O-N 3.24Å; N153-M155 VanDerWaalsContact C-N 3.28Å; N153-M155 PolarHBondContact O-N 3.36Å
154G72Confident83.8Confident36 Ų3642 Ų4237%0.37125%0.245SC..THydrogen-bonded Turntrans80.4-1.1-175.700000115.4L152 H246L152-G154 PolarHBondContact O-N 2.91Å; G154-H246 WeakPolarHBondContact CA-NE2 3.49Å
155M82Confident83.7Confident16 Ų1646.2 Ų46.28%0.07926%0.263CS..SBendtrans-89.2157175.5-58.6-63.1100.100111.4I8 L152 N153 Q157 Y159 L239 F242 I243 H246I8-M155 HydrophobicContact CD1-CE 3.56Å; I8-M155 HydrophobicContact CD1-SD 3.77Å; L152-M155 VanDerWaalsContact O-CB 3.29Å; L152-M155 WeakPolarHBondContact O-CB 3.39Å; L152-M155 WeakPolarHBondContact O-CG 3.4Å; L152-M155 PolarHBondContact O-N 3.14Å; L152-M155 VanDerWaalsContact O-N 3.11Å; N153-M155 VanDerWaalsContact C-N 3.28Å; N153-M155 PolarHBondContact O-N 3.36Å; M155-Q157 PolarHBondContact O-N 3.42Å; M155-Y159 HydrophobicContact CB-CD2 4Å; M155-L239 HydrophobicContact CG-CD1 4.43Å; M155-L239 HydrophobicContact SD-CB 4.36Å; M155-L239 HydrophobicContact SD-CD2 4.12Å; M155-F242 HydrophobicContact CE-CB 4.01Å; M155-F242 HydrophobicContact SD-CB 4.12Å; M155-I243 HydrophobicContact CE-CG1 3.96Å; M155-I243 HydrophobicContact CG-CD1 4.31Å; M155-I243 HydrophobicContact CG-CG1 3.79Å; M155-I243 HydrophobicContact SD-CG1 3.73Å; M155-H246 HydrophobicContact CE-CB 4.38Å
156P80Confident84.2Confident39 Ų3943.9 Ų43.925%0.25325%0.247SC..  trans-50.1137.3172.5-28.734000112.7I8 L158 Y159I8-P156 HydrophobicContact CB-CG 4.47Å; P156-L158 PolarHBondContact O-N 3.46Å; P156-Y159 HydrophobicContact CB-CD2 4.15Å; P156-Y159 HydrophobicContact CB-CE2 4.32Å; P156-Y159 HydrophobicContact CG-CD2 4.27Å; P156-Y159 HydrophobicContact CG-CE2 4.08Å; P156-Y159 PolarHBondContact O-N 3.07Å
157Q73.6Confident84.5Confident172 Ų17243.6 Ų43.680%0.80424%0.242SC*.Hα-helixtrans-55.7-22.9-176.9-66.8-178.22.500113.7M155 Y159 V160 G161M155-Q157 PolarHBondContact O-N 3.42Å; Q157-Y159 PolarHBondContact O-N 3.06Å; Q157-V160 WeakPolarHBondContact O-CB 3.24Å; Q157-V160 PolarHBondContact O-N 3.28Å; Q157-V160 VanDerWaalsContact O-N 3.12Å; Q157-G161 PolarHBondContact O-N 3.13Å
158L82.7Confident84.5Confident103 Ų10344 Ų4454%0.53925%0.245SC..Hα-helixtrans-58.6-32.9174.7-74.286.3000112.7F10 P156 G161 A162F10-L158 HydrophobicContact CD1-CD2 4.36Å; F10-L158 HydrophobicContact CD2-CB 3.7Å; F10-L158 HydrophobicContact CD2-CD2 3.81Å; F10-L158 HydrophobicContact CD2-CG 4.32Å; F10-L158 HydrophobicContact CE1-CD2 4.32Å; F10-L158 HydrophobicContact CE2-CB 3.57Å; F10-L158 HydrophobicContact CE2-CD2 3.77Å; F10-L158 HydrophobicContact CE2-CG 4.33Å; F10-L158 HydrophobicContact CG-CD2 4.11Å; F10-L158 HydrophobicContact CZ-CB 4.5Å; F10-L158 HydrophobicContact CZ-CD2 4.03Å; P156-L158 PolarHBondContact O-N 3.46Å; L158-G161 PolarHBondContact O-N 3.38Å; L158-A162 PolarHBondContact O-N 2.96Å
159Y85.8Confident84.5Confident1 Ų147 Ų470%0.00426%0.259CS..Hα-helixtrans-71.5-34.5176.7-66.1-62000112.1F10 T11 A14 A15 V18 M155 P156 Q157 G161 A162 L163 L239F10-Y159 HydrophobicContact CD2-CE1 4.1Å; F10-Y159 HydrophobicContact CD2-CE2 4.42Å; F10-Y159 HydrophobicContact CE2-CD1 4.48Å; F10-Y159 HydrophobicContact CE2-CE1 4.16Å; T11-Y159 PolarHBondContact N-OH 3.42Å; T11-Y159 VanDerWaalsContact N-OH 3.1Å; A14-Y159 HydrophobicContact CB-CE1 3.56Å; A15-Y159 HydrophobicContact CB-CD1 4.3Å; A15-Y159 HydrophobicContact CB-CE1 4.23Å; V18-Y159 VanDerWaalsContact CG1-O 3.27Å; V18-Y159 WeakPolarHBondContact CG1-O 3.48Å; V18-Y159 HydrophobicContact CG2-CD1 4.22Å; M155-Y159 HydrophobicContact CB-CD2 4Å; P156-Y159 HydrophobicContact CB-CD2 4.15Å; P156-Y159 HydrophobicContact CB-CE2 4.32Å; P156-Y159 HydrophobicContact CG-CD2 4.27Å; P156-Y159 HydrophobicContact CG-CE2 4.08Å; P156-Y159 PolarHBondContact O-N 3.07Å; Q157-Y159 PolarHBondContact O-N 3.06Å; Y159-G161 VanDerWaalsContact C-N 3.31Å; Y159-A162 WeakPolarHBondContact O-CB 3.39Å; Y159-A162 PolarHBondContact O-N 2.96Å; Y159-L163 PolarHBondContact O-N 3.12Å; Y159-L239 HydrophobicContact CD1-CD1 3.87Å; Y159-L239 HydrophobicContact CD2-CD1 3.93Å; Y159-L239 HydrophobicContact CD2-CD2 4.47Å; Y159-L239 HydrophobicContact CE1-CD1 4.04Å; Y159-L239 HydrophobicContact CE1-CD2 4.48Å; Y159-L239 HydrophobicContact CE2-CD1 4.05Å; Y159-L239 HydrophobicContact CE2-CD2 3.84Å; Y159-L239 HydrophobicContact CG-CD1 3.81Å
160V81.4Confident84.9Confident37 Ų3744 Ų4422%0.22424%0.243CC..Hα-helixtrans-65.1-39.1171.3-179.20000110.4I149 L152 Q157 L163 H164I149-V160 HydrophobicContact CD1-CG1 3.9Å; I149-V160 HydrophobicContact CG1-CG1 4.14Å; L152-V160 HydrophobicContact CB-CG2 4.5Å; Q157-V160 WeakPolarHBondContact O-CB 3.24Å; Q157-V160 PolarHBondContact O-N 3.28Å; Q157-V160 VanDerWaalsContact O-N 3.12Å; V160-L163 WeakPolarHBondContact O-CB 3.1Å; V160-L163 PolarHBondContact O-N 3.48Å; V160-H164 PolarHBondContact O-CD2 3.48Å; V160-H164 VanDerWaalsContact O-CD2 3.31Å; V160-H164 PolarHBondContact O-N 2.9Å
161G82.3Confident85.3Confident39 Ų3942.9 Ų42.940%0.40224%0.235SC..Hα-helixtrans-60-43.1171.100000112.9Q157 L158 Y159 L163 H164 F165Q157-G161 PolarHBondContact O-N 3.13Å; L158-G161 PolarHBondContact O-N 3.38Å; Y159-G161 VanDerWaalsContact C-N 3.31Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 3.4Å; G161-H164 PolarHBondContact O-N 3.39Å; G161-F165 WeakPolarHBondContact O-CB 3.47Å; G161-F165 PolarHBondContact O-N 2.86Å
162A89.3Confident85.7Confident11 Ų1144.3 Ų44.39%0.09124%0.243CC..Hα-helixtrans-63.7-37.517500000112.5A15 V18 S19 L158 Y159 F165 G166A15-A162 HydrophobicContact CB-CB 4.07Å; A15-A162 WeakPolarHBondContact O-CB 3.47Å; V18-A162 HydrophobicContact CB-CB 4.34Å; V18-A162 HydrophobicContact CG1-CB 4.14Å; S19-A162 WeakPolarHBondContact CA-O 3.41Å; S19-A162 PolarHBondContact OG-O 3.25Å; L158-A162 PolarHBondContact O-N 2.96Å; Y159-A162 WeakPolarHBondContact O-CB 3.39Å; Y159-A162 PolarHBondContact O-N 2.96Å; A162-F165 WeakPolarHBondContact O-CB 3.45Å; A162-F165 PolarHBondContact O-N 3.45Å; A162-G166 PolarHBondContact O-N 3.5Å
163L89.7Confident86.1Confident7 Ų746 Ų464%0.03725%0.253CS..Hα-helixtrans-62.5-48.9175.7-177.972.1000111.1V18 Y21 F148 I149 L152 Y159 V160 G161 F165 G166 E167V18-L163 HydrophobicContact CG1-CB 3.78Å; V18-L163 HydrophobicContact CG1-CD1 4.3Å; Y21-L163 HydrophobicContact CD1-CD1 3.73Å; Y21-L163 HydrophobicContact CE1-CD1 3.83Å; F148-L163 HydrophobicContact CB-CD1 4Å; F148-L163 HydrophobicContact CB-CD2 3.9Å; F148-L163 HydrophobicContact CD2-CD1 4.14Å; I149-L163 HydrophobicContact CB-CD2 4.1Å; L152-L163 HydrophobicContact CD1-CB 4.03Å; L152-L163 HydrophobicContact CD1-CD2 4.1Å; L152-L163 HydrophobicContact CD1-CG 4.5Å; Y159-L163 PolarHBondContact O-N 3.12Å; V160-L163 WeakPolarHBondContact O-CB 3.1Å; V160-L163 PolarHBondContact O-N 3.48Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 3.4Å; L163-F165 VanDerWaalsContact C-N 3.28Å; L163-F165 PolarHBondContact O-N 3.45Å; L163-G166 WeakPolarHBondContact O-CA 3.33Å; L163-G166 PolarHBondContact O-N 2.91Å; L163-G166 VanDerWaalsContact O-N 3.11Å; L163-E167 PolarHBondContact O-N 2.96Å
164H84.4Confident87Confident86 Ų8640.9 Ų40.940%0.39823%0.226SC..Hα-helixtrans-64.4-32.2176.7-73-48.4000113V160 G161 E167 A168V160-H164 PolarHBondContact O-CD2 3.48Å; V160-H164 VanDerWaalsContact O-CD2 3.31Å; V160-H164 PolarHBondContact O-N 2.9Å; G161-H164 PolarHBondContact O-N 3.39Å; H164-E167 IonicContact CE1-OE2 3.06Å; H164-E167 IonicContact ND1-OE2 3.64Å; H164-E167 PolarHBondContact ND1-OE2 3.15Å; H164-E167 PolarHBondContact O-N 3.04Å; H164-A168 WeakPolarHBondContact O-CB 3.37Å; H164-A168 PolarHBondContact O-N 2.86Å
165F88.7Confident88.2Confident89 Ų8939.2 Ų39.239%0.3921%0.209SC..Hα-helixtrans-62.1-45.8170.9177.6-93.4000111.2G161 A162 L163 A168 F169 V368G161-F165 WeakPolarHBondContact O-CB 3.47Å; G161-F165 PolarHBondContact O-N 2.86Å; A162-F165 WeakPolarHBondContact O-CB 3.45Å; A162-F165 PolarHBondContact O-N 3.45Å; L163-F165 VanDerWaalsContact C-N 3.28Å; L163-F165 PolarHBondContact O-N 3.45Å; F165-A168 PolarHBondContact O-N 2.93Å; F165-F169 HydrophobicContact CD1-CD2 4.38Å; F165-F169 HydrophobicContact CD1-CE2 4.42Å; F165-F169 HydrophobicContact CD2-CD2 4.49Å; F165-F169 HydrophobicContact CD2-CE2 4.11Å; F165-F169 HydrophobicContact CE1-CD2 4.02Å; F165-F169 AromaticContact CE1-CE2 3.74Å; F165-F169 HydrophobicContact CE1-CE2 3.74Å; F165-F169 HydrophobicContact CE1-CZ 4.09Å; F165-F169 HydrophobicContact CE2-CD2 4.15Å; F165-F169 AromaticContact CE2-CE2 3.39Å; F165-F169 HydrophobicContact CE2-CE2 3.39Å; F165-F169 HydrophobicContact CE2-CZ 4.03Å; F165-F169 AromaticContact CZ-CD2 3.91Å; F165-F169 HydrophobicContact CZ-CD2 3.91Å; F165-F169 HydrophobicContact CZ-CE1 4.37Å; F165-F169 AromaticContact CZ-CE2 3.17Å; F165-F169 HydrophobicContact CZ-CE2 3.17Å; F165-F169 AromaticContact CZ-CZ 3.45Å; F165-F169 HydrophobicContact CZ-CZ 3.45Å; F165-F169 VanDerWaalsContact CZ-CZ 3.45Å; F165-F169 WeakPolarHBondContact O-CD2 3.4Å; F165-F169 PolarHBondContact O-N 2.85Å; F165-V368 HydrophobicContact CD2-CG2 4.23Å
166G92.5Very high88.9Confident2 Ų241.1 Ų41.12%0.02122%0.221CC..Hα-helixtrans-57.3-49.1172.300000113.2S19 L23 A162 L163 A168 F169 S170S19-G166 WeakPolarHBondContact O-CA 3.47Å; L23-G166 VanDerWaalsContact CA-O 3.32Å; L23-G166 WeakPolarHBondContact CA-O 3.32Å; A162-G166 PolarHBondContact O-N 3.5Å; L163-G166 WeakPolarHBondContact O-CA 3.33Å; L163-G166 PolarHBondContact O-N 2.91Å; L163-G166 VanDerWaalsContact O-N 3.11Å; G166-A168 VanDerWaalsContact C-N 3.32Å; G166-A168 PolarHBondContact O-N 3.22Å; G166-F169 WeakPolarHBondContact O-CB 3.26Å; G166-F169 PolarHBondContact O-N 3.38Å; G166-S170 PolarHBondContact O-N 2.99Å
167E90.1Very high89.7Confident43 Ų4340.8 Ų40.820%0.20122%0.217CC..Hα-helixtrans-56.8-43176.8-173.1-173163.300111.6L163 H164 F169 S170L163-E167 PolarHBondContact O-N 2.96Å; H164-E167 IonicContact CE1-OE2 3.06Å; H164-E167 IonicContact ND1-OE2 3.64Å; H164-E167 PolarHBondContact ND1-OE2 3.15Å; H164-E167 PolarHBondContact O-N 3.04Å; E167-F169 VanDerWaalsContact C-N 3.28Å; E167-F169 PolarHBondContact O-N 3.5Å; E167-S170 VanDerWaalsContact O-CB 3.28Å; E167-S170 WeakPolarHBondContact O-CB 3.11Å; E167-S170 PolarHBondContact O-N 2.87Å; E167-S170 PolarHBondContact O-OG 3.3Å
168A89.2Confident90.8Very high8 Ų832.6 Ų32.67%0.06618%0.179CC..Hα-helixtrans-62.3-34.5175.400000112.6H164 F165 G166 S170 D171 A364 T367 V368H164-A168 WeakPolarHBondContact O-CB 3.37Å; H164-A168 PolarHBondContact O-N 2.86Å; F165-A168 PolarHBondContact O-N 2.93Å; G166-A168 VanDerWaalsContact C-N 3.32Å; G166-A168 PolarHBondContact O-N 3.22Å; A168-S170 PolarHBondContact O-N 3.21Å; A168-D171 PolarHBondContact O-N 2.74Å; A168-A364 VanDerWaalsContact O-CB 3.24Å; A168-A364 WeakPolarHBondContact O-CB 3.23Å; A168-T367 HydrophobicContact CB-CG2 4.2Å; A168-V368 HydrophobicContact CB-CG2 4.27Å
169F91.3Very high91.5Very high70 Ų7030.5 Ų30.531%0.30717%0.168SC..Hα-helixtrans-72.3-15.9176.5-87.9-119.3000113.2L23 F165 G166 E167 D171 L172 V173L23-F169 HydrophobicContact CD1-CB 3.62Å; L23-F169 WeakPolarHBondContact CD1-O 3.38Å; F165-F169 HydrophobicContact CD1-CD2 4.38Å; F165-F169 HydrophobicContact CD1-CE2 4.42Å; F165-F169 HydrophobicContact CD2-CD2 4.49Å; F165-F169 HydrophobicContact CD2-CE2 4.11Å; F165-F169 HydrophobicContact CE1-CD2 4.02Å; F165-F169 AromaticContact CE1-CE2 3.74Å; F165-F169 HydrophobicContact CE1-CE2 3.74Å; F165-F169 HydrophobicContact CE1-CZ 4.09Å; F165-F169 HydrophobicContact CE2-CD2 4.15Å; F165-F169 AromaticContact CE2-CE2 3.39Å; F165-F169 HydrophobicContact CE2-CE2 3.39Å; F165-F169 HydrophobicContact CE2-CZ 4.03Å; F165-F169 AromaticContact CZ-CD2 3.91Å; F165-F169 HydrophobicContact CZ-CD2 3.91Å; F165-F169 HydrophobicContact CZ-CE1 4.37Å; F165-F169 AromaticContact CZ-CE2 3.17Å; F165-F169 HydrophobicContact CZ-CE2 3.17Å; F165-F169 AromaticContact CZ-CZ 3.45Å; F165-F169 HydrophobicContact CZ-CZ 3.45Å; F165-F169 VanDerWaalsContact CZ-CZ 3.45Å; F165-F169 WeakPolarHBondContact O-CD2 3.4Å; F165-F169 PolarHBondContact O-N 2.85Å; G166-F169 WeakPolarHBondContact O-CB 3.26Å; G166-F169 PolarHBondContact O-N 3.38Å; E167-F169 VanDerWaalsContact C-N 3.28Å; E167-F169 PolarHBondContact O-N 3.5Å; F169-D171 PolarHBondContact O-N 2.96Å; F169-L172 HydrophobicContact CD1-CD2 3.68Å; F169-L172 HydrophobicContact CD2-CD2 4.45Å; F169-L172 HydrophobicContact CE1-CD2 3.53Å; F169-L172 HydrophobicContact CE2-CD2 4.31Å; F169-L172 HydrophobicContact CG-CD2 4.15Å; F169-L172 HydrophobicContact CZ-CD2 3.87Å; F169-L172 PolarHBondContact O-N 3.41Å; F169-L172 VanDerWaalsContact O-N 3.15Å; F169-V173 WeakPolarHBondContact O-CG2 2.83Å; F169-V173 PolarHBondContact O-N 2.82Å
170S93.7Very high92Very high2 Ų234.7 Ų34.71%0.01419%0.189CC..Hα-helixtrans-68.9-19.4174.579.20000113.2L23 N30 G166 E167 A168 P174L23-S170 VanDerWaalsContact O-CB 3.28Å; L23-S170 WeakPolarHBondContact O-CB 3.19Å; N30-S170 WeakPolarHBondContact CB-O 3.49Å; N30-S170 PolarHBondContact ND2-O 3.37Å; N30-S170 PolarHBondContact ND2-OG 3.47Å; G166-S170 PolarHBondContact O-N 2.99Å; E167-S170 VanDerWaalsContact O-CB 3.28Å; E167-S170 WeakPolarHBondContact O-CB 3.11Å; E167-S170 PolarHBondContact O-N 2.87Å; E167-S170 PolarHBondContact O-OG 3.3Å; A168-S170 PolarHBondContact O-N 3.21Å; S170-P174 WeakPolarHBondContact O-CD 3.4Å; S170-P174 VanDerWaalsContact O-CG 3.24Å; S170-P174 WeakPolarHBondContact O-CG 3.05Å
171D91.6Very high92.7Very high26 Ų2633 Ų3314%0.13918%0.179CC..Hα-helixtrans-83.4-42.2166.4-83.7-2.7000110.7N30 A168 F169 S175 A364 R470N30-D171 PolarHBondContact ND2-OD1 2.88Å; N30-D171 PolarHBondContact OD1-OD1 3.19Å; A168-D171 PolarHBondContact O-N 2.74Å; F169-D171 PolarHBondContact O-N 2.96Å; D171-S175 VanDerWaalsContact O-CB 3.27Å; D171-S175 WeakPolarHBondContact O-CB 3.43Å; D171-S175 PolarHBondContact O-N 3.43Å; D171-S175 PolarHBondContact O-OG 2.8Å; D171-A364 HydrophobicContact CB-CB 4.22Å; D171-R470 IonicContact OD2-NH2 3.56Å
172L94.3Very high93.4Very high33 Ų3331.9 Ų31.917%0.17317%0.168CC..Hα-helixtrans-65.3-47.2-172.7-169.481000112.4F169 S175 T176 L361 A364F169-L172 HydrophobicContact CD1-CD2 3.68Å; F169-L172 HydrophobicContact CD2-CD2 4.45Å; F169-L172 HydrophobicContact CE1-CD2 3.53Å; F169-L172 HydrophobicContact CE2-CD2 4.31Å; F169-L172 HydrophobicContact CG-CD2 4.15Å; F169-L172 HydrophobicContact CZ-CD2 3.87Å; F169-L172 PolarHBondContact O-N 3.41Å; F169-L172 VanDerWaalsContact O-N 3.15Å; L172-S175 PolarHBondContact O-N 2.86Å; L172-T176 WeakPolarHBondContact O-CB 3.45Å; L172-T176 PolarHBondContact O-N 3.09Å; L172-T176 PolarHBondContact O-OG1 3.2Å; L172-L361 HydrophobicContact CD1-CD2 3.48Å; L172-L361 VanDerWaalsContact CD1-CD2 3.48Å; L172-L361 HydrophobicContact CG-CD2 4.13Å; L172-A364 HydrophobicContact CB-CB 3.95Å; L172-A364 HydrophobicContact CD1-CB 4.1Å
173V95.3Very high93.5Very high38 Ų3831.9 Ų31.923%0.2317%0.167CC..Hα-helixtrans-64.4-53.7-174.5170.40000111.4L23 I27 F169 S175 T176 L177 V221L23-V173 HydrophobicContact CD1-CG2 4.16Å; I27-V173 HydrophobicContact CD1-CB 4.26Å; I27-V173 HydrophobicContact CD1-CG1 4.4Å; F169-V173 WeakPolarHBondContact O-CG2 2.83Å; F169-V173 PolarHBondContact O-N 2.82Å; V173-S175 VanDerWaalsContact C-N 3.33Å; V173-S175 PolarHBondContact O-N 2.79Å; V173-T176 PolarHBondContact O-N 3.47Å; V173-L177 HydrophobicContact CG1-CD1 3.99Å; V173-L177 WeakPolarHBondContact O-CG 3.38Å; V173-L177 PolarHBondContact O-N 2.94Å; V173-V221 HydrophobicContact CG1-CG2 4.17Å
174P96.8Very high93.4Very high0 Ų033.3 Ų33.30%018%0.183CC..Hα-helixtrans-61.3-40.5177.4-23.235.6000112.5I27 N30 V34 S170 T176 L177 A178 F214 L218I27-P174 HydrophobicContact CD1-CG 3.46Å; I27-P174 VanDerWaalsContact CD1-CG 3.46Å; I27-P174 HydrophobicContact CG1-CG 4.24Å; N30-P174 HydrophobicContact CB-CG 4.35Å; V34-P174 HydrophobicContact CG2-CB 3.81Å; S170-P174 WeakPolarHBondContact O-CD 3.4Å; S170-P174 VanDerWaalsContact O-CG 3.24Å; S170-P174 WeakPolarHBondContact O-CG 3.05Å; P174-T176 VanDerWaalsContact C-N 3.33Å; P174-T176 PolarHBondContact O-N 3.48Å; P174-L177 PolarHBondContact O-N 3.42Å; P174-A178 WeakPolarHBondContact O-CB 3.39Å; P174-A178 PolarHBondContact O-N 2.92Å; P174-F214 HydrophobicContact CB-CZ 4.06Å; P174-L218 HydrophobicContact CB-CD2 4.36Å; P174-L218 HydrophobicContact CG-CD2 4.1Å
175S96.9Very high93.4Very high2 Ų232.5 Ų32.51%0.01419%0.187CC..Hα-helixtrans-63.1-39.7179.2-58.60000112.4D171 L172 V173 L179 T357D171-S175 VanDerWaalsContact O-CB 3.27Å; D171-S175 WeakPolarHBondContact O-CB 3.43Å; D171-S175 PolarHBondContact O-N 3.43Å; D171-S175 PolarHBondContact O-OG 2.8Å; L172-S175 PolarHBondContact O-N 2.86Å; V173-S175 VanDerWaalsContact C-N 3.33Å; V173-S175 PolarHBondContact O-N 2.79Å; S175-L179 PolarHBondContact O-N 2.73Å; S175-L179 VanDerWaalsContact O-N 3.07Å; S175-T357 WeakPolarHBondContact CB-O 3.39Å
176T96.7Very high93.2Very high56 Ų5632.6 Ų32.634%0.34419%0.189SC..Hα-helixtrans-65.8-45.5174.7-54.60000110.9L172 V173 P174 A178 L179 I180 L361L172-T176 WeakPolarHBondContact O-CB 3.45Å; L172-T176 PolarHBondContact O-N 3.09Å; L172-T176 PolarHBondContact O-OG1 3.2Å; V173-T176 PolarHBondContact O-N 3.47Å; P174-T176 VanDerWaalsContact C-N 3.33Å; P174-T176 PolarHBondContact O-N 3.48Å; T176-A178 VanDerWaalsContact C-N 3.32Å; T176-A178 PolarHBondContact O-N 2.8Å; T176-L179 PolarHBondContact O-N 3.43Å; T176-I180 HydrophobicContact CG2-CD1 4.19Å; T176-I180 WeakPolarHBondContact O-CG1 3.38Å; T176-I180 PolarHBondContact O-N 3.24Å; T176-L361 WeakPolarHBondContact OG1-CD2 3.27Å
177L97Very high92.8Very high31 Ų3134.5 Ų34.516%0.16220%0.201CC..Hα-helixtrans-61.8-40.7178.4-71.3174.3000111.8V173 P174 I180 Q181 F214 I217 L218V173-L177 HydrophobicContact CG1-CD1 3.99Å; V173-L177 WeakPolarHBondContact O-CG 3.38Å; V173-L177 PolarHBondContact O-N 2.94Å; P174-L177 PolarHBondContact O-N 3.42Å; L177-I180 WeakPolarHBondContact O-CB 3.38Å; L177-I180 PolarHBondContact O-N 3.02Å; L177-Q181 WeakPolarHBondContact O-CB 3.4Å; L177-Q181 PolarHBondContact O-N 2.98Å; L177-F214 HydrophobicContact CB-CD2 4.05Å; L177-F214 HydrophobicContact CB-CE2 3.52Å; L177-F214 HydrophobicContact CB-CZ 4.45Å; L177-I217 HydrophobicContact CD1-CB 4.38Å; L177-I217 HydrophobicContact CD1-CG2 3.56Å; L177-I217 HydrophobicContact CD2-CG2 4.05Å; L177-I217 HydrophobicContact CG-CG2 4.48Å; L177-L218 HydrophobicContact CD1-CD2 3.93Å
178A97.2Very high92.7Very high0 Ų037.2 Ų37.20%021%0.214CC..Hα-helixtrans-66.2-40.8177.800000111V34 P174 T176 I180 Q181 G182 F214 H353 T357V34-A178 HydrophobicContact CB-CB 3.79Å; V34-A178 HydrophobicContact CG2-CB 3.83Å; P174-A178 WeakPolarHBondContact O-CB 3.39Å; P174-A178 PolarHBondContact O-N 2.92Å; T176-A178 VanDerWaalsContact C-N 3.32Å; T176-A178 PolarHBondContact O-N 2.8Å; A178-I180 VanDerWaalsContact C-N 3.28Å; A178-I180 PolarHBondContact O-N 3.34Å; A178-Q181 WeakPolarHBondContact O-CB 2.95Å; A178-Q181 PolarHBondContact O-N 2.9Å; A178-G182 PolarHBondContact O-N 2.68Å; A178-F214 HydrophobicContact CB-CE2 4.08Å; A178-H353 PolarHBondContact O-CE1 3.34Å; A178-H353 PolarHBondContact O-NE2 3.47Å; A178-T357 HydrophobicContact CB-CG2 3.57Å
179L96.7Very high92.6Very high59 Ų5940 Ų4031%0.30923%0.231SC..Hα-helixtrans-59.3-39.3171.5-77.5-179.4000112.7S175 T176 Q181 L354 T357 L358 L361S175-L179 PolarHBondContact O-N 2.73Å; S175-L179 VanDerWaalsContact O-N 3.07Å; T176-L179 PolarHBondContact O-N 3.43Å; L179-Q181 VanDerWaalsContact C-N 3.35Å; L179-L354 HydrophobicContact CD2-CD2 4.04Å; L179-T357 HydrophobicContact CD2-CG2 4.4Å; L179-T357 VanDerWaalsContact CD2-OG1 3.24Å; L179-T357 WeakPolarHBondContact CD2-OG1 3.48Å; L179-T357 HydrophobicContact CG-CG2 4.36Å; L179-L358 HydrophobicContact CD1-CD2 4.24Å; L179-L361 HydrophobicContact CD1-CD1 3.33Å; L179-L361 HydrophobicContact CG-CD1 4.29Å
180I96.7Very high92.5Very high89 Ų8940 Ų4046%0.45623%0.234SC..Hα-helixtrans-67.3-39.4177.2-65166.2000110.4T176 L177 A178 R208 F209T176-I180 HydrophobicContact CG2-CD1 4.19Å; T176-I180 WeakPolarHBondContact O-CG1 3.38Å; T176-I180 PolarHBondContact O-N 3.24Å; L177-I180 WeakPolarHBondContact O-CB 3.38Å; L177-I180 PolarHBondContact O-N 3.02Å; A178-I180 VanDerWaalsContact C-N 3.28Å; A178-I180 PolarHBondContact O-N 3.34Å; I180-R208 WeakPolarHBondContact O-CD 3.42Å; I180-R208 PolarHBondContact O-NH1 3.42Å; I180-F209 HydrophobicContact CG2-CE1 4.23Å
181Q97.3Very high92.2Very high1 Ų145 Ų451%0.00526%0.261CS..Hα-helixtrans-63.8-48.1177.6-170-165.537.400112.1E35 L177 A178 L179 P207 R208 F209E35-Q181 PolarHBondContact OE1-OE1 2.92Å; E35-Q181 PolarHBondContact OE2-NE2 2.94Å; E35-Q181 VanDerWaalsContact OE2-NE2 3.07Å; L177-Q181 WeakPolarHBondContact O-CB 3.4Å; L177-Q181 PolarHBondContact O-N 2.98Å; A178-Q181 WeakPolarHBondContact O-CB 2.95Å; A178-Q181 PolarHBondContact O-N 2.9Å; L179-Q181 VanDerWaalsContact C-N 3.35Å; Q181-P207 HydrophobicContact CG-CB 3.87Å; Q181-R208 VanDerWaalsContact O-CB 3.26Å; Q181-R208 WeakPolarHBondContact O-CB 3.14Å; Q181-R208 WeakPolarHBondContact O-CG 3.39Å; Q181-R208 PolarHBondContact O-N 3.49Å; Q181-F209 VanDerWaalsContact CA-CE1 3.42Å; Q181-F209 HydrophobicContact CB-CD1 4.33Å; Q181-F209 HydrophobicContact CB-CD2 4.39Å; Q181-F209 HydrophobicContact CB-CE1 3.69Å; Q181-F209 HydrophobicContact CB-CE2 3.76Å; Q181-F209 HydrophobicContact CB-CZ 3.37Å; Q181-F209 HydrophobicContact CG-CD1 4.27Å; Q181-F209 HydrophobicContact CG-CD2 3.83Å; Q181-F209 HydrophobicContact CG-CE1 4.07Å; Q181-F209 HydrophobicContact CG-CE2 3.61Å; Q181-F209 HydrophobicContact CG-CG 4.17Å; Q181-F209 HydrophobicContact CG-CZ 3.75Å; Q181-F209 WeakPolarHBondContact CG-O 3.49Å; Q181-F209 PolarHBondContact NE2-O 3.07Å
182G95.1Very high92Very high16 Ų1649.5 Ų49.517%0.16528%0.279CS..  trans65.1177.6-171.900000113.2A178 P207A178-G182 PolarHBondContact O-N 2.68Å; G182-P207 VanDerWaalsContact O-CB 3.24Å; G182-P207 WeakPolarHBondContact O-CB 3.43Å
183V92.8Very high91.7Very high11 Ų1152.3 Ų52.37%0.06730%0.298CS..  trans-113.54.6-177.2-69.70000115.6P37 L38 H353P37-V183 HydrophobicContact CB-CG1 4.03Å; L38-V183 HydrophobicContact CD2-CB 4.05Å; L38-V183 HydrophobicContact CD2-CG1 3.93Å; L38-V183 HydrophobicContact CG-CG1 4.07Å; V183-H353 HydrophobicContact CB-CB 4.37Å; V183-H353 HydrophobicContact CG1-CB 3.59Å; V183-H353 VanDerWaalsContact CG1-CG 3.47Å; V183-H353 WeakPolarHBondContact CG1-ND1 3.43Å; V183-H353 HydrophobicContact CG2-CB 3.85Å
184G87.7Confident91.1Very high37 Ų3753.4 Ų53.438%0.38130%0.304SS..  trans77.8-173.1-170.300000112.7
185S84.4Confident90.5Very high70 Ų7060.4 Ų60.449%0.4934%0.342SS..SBendtrans-76.9166.317236.50000111.8P205S185-P205 WeakPolarHBondContact OG-CB 3.31Å; S185-P205 WeakPolarHBondContact OG-CG 3.48Å
186E84.1Confident89.8Confident91 Ų9168 Ų6843%0.42538%0.382SS..SBendtrans-55.7147.9173.8-70-62.3137.700111E188 G348 S349 L350E186-E188 PolarHBondContact O-N 3.29Å; E186-G348 WeakPolarHBondContact OE2-CA 3.26Å; E186-S349 PolarHBondContact OE1-N 2.98Å; E186-S349 PolarHBondContact OE2-N 3.43Å; E186-L350 PolarHBondContact OE1-N 3.05Å
187P84.1Confident89.2Confident41 Ų4168.9 Ų68.927%0.26639%0.387SS..PPolyproline II helixtrans-59131.3-174.721.7-32000112.2F203 F204P187-F203 CarbonylContact C-O 3.52Å; P187-F203 WeakPolarHBondContact CA-O 3.17Å; P187-F204 HydrophobicContact CB-CD1 3.67Å; P187-F204 HydrophobicContact CB-CE1 3.62Å; P187-F204 HydrophobicContact CB-CZ 4.44Å; P187-F204 HydrophobicContact CG-CD1 4.37Å; P187-F204 HydrophobicContact CG-CE1 4.07Å
188E87Confident88.6Confident101 Ų10172.9 Ų72.947%0.47241%0.408SS..EExtended strand (participates in β ladder)trans-95.3144.9177.1-65.2178.2-170.300109.9E186 F203E186-E188 PolarHBondContact O-N 3.29Å; E188-F203 PolarHBondContact N-O 3.36Å; E188-F203 PolarHBondContact O-N 3.47Å
189C88Confident88Confident65 Ų6577.2 Ų77.244%0.43943%0.429SS..EExtended strand (participates in β ladder)trans-103104.2179.9-64.80000109.3V200 C528C189-V200 HydrophobicContact CB-CG1 3.68Å; C189-C528 WeakPolarHBondContact CA-SG 3.17Å; C189-C528 HydrophobicContact CB-CB 3.79Å; C189-C528 WeakPolarHBondContact CB-SG 3.21Å; C189-C528 WeakPolarHBondContact SG-CA 3.47Å; C189-C528 WeakPolarHBondContact SG-CB 3.43Å; C189-C528 CovalentContact SG-SG 2.03Å; C189-C528 PolarHBondContact SG-SG 3.06Å
190I89Confident87.4Confident70 Ų7078.3 Ų78.336%0.35944%0.438SS..EExtended strand (participates in β ladder)trans-103.6145.2-176.164.6170.6000110.6V201 F203I190-V201 HydrophobicContact CD1-CG2 4.41Å; I190-V201 HydrophobicContact CG1-CG2 3.82Å; I190-V201 PolarHBondContact N-O 3.41Å; I190-V201 PolarHBondContact O-N 2.71Å; I190-F203 HydrophobicContact CD1-CB 3.88Å; I190-F203 HydrophobicContact CD1-CD2 4.37Å; I190-F203 HydrophobicContact CD1-CG 4.34Å; I190-F203 HydrophobicContact CG1-CB 4Å; I190-F203 HydrophobicContact CG2-CB 4.1Å
191N88.2Confident86.9Confident108 Ų10876 Ų7658%0.57843%0.427SS*.EExtended strand (participates in β ladder)trans-80.8120.4174.3-70.2-23.3000109.6L198N191-L198 HydrophobicContact CB-CD1 3.85Å; N191-L198 HydrophobicContact CB-CD2 4.22Å; N191-L198 HydrophobicContact CB-CG 4.09Å
192K87Confident86.4Confident120 Ų12078.3 Ų78.352%0.52244%0.442SS..EExtended strand (participates in β ladder)trans-123.7125.4177.6-172.7175.1-177.4177.80110.1V194 H199 V201K192-V194 HydrophobicContact CG-CG2 4.33Å; K192-V194 PolarHBondContact O-N 3.42Å; K192-H199 PolarHBondContact N-O 2.91Å; K192-H199 PolarHBondContact O-N 3.29Å; K192-V201 HydrophobicContact CB-CG1 4.42Å; K192-V201 HydrophobicContact CB-CG2 3.63Å; K192-V201 HydrophobicContact CD-CG2 4.03Å; K192-V201 HydrophobicContact CG-CG2 4.49Å
193T87Confident86.2Confident92 Ų9281.8 Ų81.856%0.56445%0.453SS*.EExtended strand (participates in β ladder)trans-77.6116.8174.9-45.50000109.4T197T193-T197 WeakPolarHBondContact CA-O 3.39Å
194V82.4Confident86Confident61 Ų6184 Ų8437%0.3746%0.462SS..EExtended strand (participates in β ladder)trans-121.5121.1173-176.10000106.7K192 D196 T197K192-V194 HydrophobicContact CG-CG2 4.33Å; K192-V194 PolarHBondContact O-N 3.42Å; V194-D196 PolarHBondContact O-N 2.96Å; V194-T197 PolarHBondContact N-O 3.32Å; V194-T197 PolarHBondContact O-N 3.49Å; V194-T197 VanDerWaalsContact O-O 3.1Å; V194-T197 PolarHBondContact O-OG1 3.04Å
195N85.3Confident86.1Confident148 Ų14883 Ų8379%0.79145%0.449SS*.THydrogen-bonded Turntrans50.849.4-177.8-59.1-14.4000113.7T197N195-T197 PolarHBondContact O-N 2.9Å
196D82.1Confident86.4Confident162 Ų16284.4 Ų84.487%0.86646%0.456SS*.THydrogen-bonded Turntrans61.34.2-177.5-56.4-42.1000116V194V194-D196 PolarHBondContact O-N 2.96Å
197T84.5Confident87Confident73 Ų7381.5 Ų81.545%0.44845%0.445SS..EExtended strand (participates in β ladder)trans-104.3134.5172.948.60000111.3T193 V194 N195 H199T193-T197 WeakPolarHBondContact CA-O 3.39Å; V194-T197 PolarHBondContact N-O 3.32Å; V194-T197 PolarHBondContact O-N 3.49Å; V194-T197 VanDerWaalsContact O-O 3.1Å; V194-T197 PolarHBondContact O-OG1 3.04Å; N195-T197 PolarHBondContact O-N 2.9Å; T197-H199 PolarHBondContact O-CD2 3.06Å; T197-H199 PolarHBondContact O-N 3.22Å; T197-H199 PolarHBondContact OG1-NE2 3.33Å
198L85Confident87.5Confident115 Ų11589.1 Ų89.160%0.60247%0.469SS*.EExtended strand (participates in β ladder)trans-79.9115.7178.8-164.173.9000109.6N191N191-L198 HydrophobicContact CB-CD1 3.85Å; N191-L198 HydrophobicContact CB-CD2 4.22Å; N191-L198 HydrophobicContact CB-CG 4.09Å
199H82.7Confident88Confident92 Ų9286.5 Ų86.543%0.42646%0.456SS..EExtended strand (participates in β ladder)trans-113135.3175.2-70.3-85.4000110.7K192 T197 V201K192-H199 PolarHBondContact N-O 2.91Å; K192-H199 PolarHBondContact O-N 3.29Å; T197-H199 PolarHBondContact O-CD2 3.06Å; T197-H199 PolarHBondContact O-N 3.22Å; T197-H199 PolarHBondContact OG1-NE2 3.33Å; H199-V201 HydrophobicContact CB-CG1 4.37Å; H199-V201 PolarHBondContact O-N 3.28Å
200V85.4Confident88.4Confident82 Ų8286.1 Ų86.150%0.49745%0.454SS..EExtended strand (participates in β ladder)trans-80115.6169.2-174.10000107.6C189 C528C189-V200 HydrophobicContact CB-CG1 3.68Å; V200-C528 HydrophobicContact CG1-CB 3.87Å
201V85.7Confident88.7Confident40 Ų4083.5 Ų83.524%0.24244%0.441CS..EExtended strand (participates in β ladder)trans-117.4143.2179-62.40000110.3I190 K192 H199 F203I190-V201 HydrophobicContact CD1-CG2 4.41Å; I190-V201 HydrophobicContact CG1-CG2 3.82Å; I190-V201 PolarHBondContact N-O 3.41Å; I190-V201 PolarHBondContact O-N 2.71Å; K192-V201 HydrophobicContact CB-CG1 4.42Å; K192-V201 HydrophobicContact CB-CG2 3.63Å; K192-V201 HydrophobicContact CD-CG2 4.03Å; K192-V201 HydrophobicContact CG-CG2 4.49Å; H199-V201 HydrophobicContact CB-CG1 4.37Å; H199-V201 PolarHBondContact O-N 3.28Å; V201-F203 PolarHBondContact O-N 2.89Å
202P87.8Confident89.1Confident49 Ų4979.7 Ų79.732%0.31842%0.423SS..EExtended strand (participates in β ladder)trans-72127.5174.932-36.5000110.6F204 P527P202-F204 HydrophobicContact CB-CE2 3.82Å; P202-F204 HydrophobicContact CB-CZ 3.96Å; P202-F204 HydrophobicContact CG-CE2 3.96Å; P202-F204 HydrophobicContact CG-CZ 4.33Å; P202-P527 HydrophobicContact CB-CB 3.73Å; P202-P527 HydrophobicContact CB-CG 3.9Å; P202-P527 HydrophobicContact CG-CB 4.21Å; P202-P527 HydrophobicContact CG-CG 3.8Å
203F89.2Confident89.6Confident90 Ų9077 Ų7740%0.39542%0.416SS..EExtended strand (participates in β ladder)trans-102.7121.5167.2177.6-105.1000108.2P187 E188 I190 V201 P205P187-F203 CarbonylContact C-O 3.52Å; P187-F203 WeakPolarHBondContact CA-O 3.17Å; E188-F203 PolarHBondContact N-O 3.36Å; E188-F203 PolarHBondContact O-N 3.47Å; I190-F203 HydrophobicContact CD1-CB 3.88Å; I190-F203 HydrophobicContact CD1-CD2 4.37Å; I190-F203 HydrophobicContact CD1-CG 4.34Å; I190-F203 HydrophobicContact CG1-CB 4Å; I190-F203 HydrophobicContact CG2-CB 4.1Å; V201-F203 PolarHBondContact O-N 2.89Å; F203-P205 HydrophobicContact CD1-CG 4.25Å; F203-P205 HydrophobicContact CE1-CB 4.46Å; F203-P205 HydrophobicContact CE1-CG 4.16Å; F203-P205 WeakPolarHBondContact O-CD 3.23Å
204F89.4Confident90.1Very high58 Ų5872.6 Ų72.625%0.25439%0.39SS..  trans-99.8109176.2-62-84.3000108.2N41 P187 P202 P527N41-F204 HydrophobicContact CB-CD1 3.82Å; N41-F204 HydrophobicContact CB-CD2 4.4Å; N41-F204 HydrophobicContact CB-CE1 3.68Å; N41-F204 HydrophobicContact CB-CE2 4.27Å; N41-F204 HydrophobicContact CB-CG 4.19Å; N41-F204 HydrophobicContact CB-CZ 3.92Å; P187-F204 HydrophobicContact CB-CD1 3.67Å; P187-F204 HydrophobicContact CB-CE1 3.62Å; P187-F204 HydrophobicContact CB-CZ 4.44Å; P187-F204 HydrophobicContact CG-CD1 4.37Å; P187-F204 HydrophobicContact CG-CE1 4.07Å; P202-F204 HydrophobicContact CB-CE2 3.82Å; P202-F204 HydrophobicContact CB-CZ 3.96Å; P202-F204 HydrophobicContact CG-CE2 3.96Å; P202-F204 HydrophobicContact CG-CZ 4.33Å; F204-P527 HydrophobicContact CZ-CB 4.33Å; F204-P527 HydrophobicContact CZ-CG 4.34Å
205P90.1Very high90.8Very high16 Ų1670 Ų7010%0.10437%0.373CS..PPolyproline II helixtrans-55.5134.9177.3-27.738.5000110.6S185 F203S185-P205 WeakPolarHBondContact OG-CB 3.31Å; S185-P205 WeakPolarHBondContact OG-CG 3.48Å; F203-P205 HydrophobicContact CD1-CG 4.25Å; F203-P205 HydrophobicContact CE1-CB 4.46Å; F203-P205 HydrophobicContact CE1-CG 4.16Å; F203-P205 WeakPolarHBondContact O-CD 3.23Å
206P91.4Very high91.3Very high98 Ų9867.7 Ų67.764%0.63635%0.354SS*.PPolyproline II helixtrans-69.3151.9-173.327.9-34.9000112
207P95.4Very high92Very high30 Ų3062.5 Ų62.520%0.19533%0.326CS..PPolyproline II helixtrans-64.7169.2167.529.5-37000111.9L38 Q181 G182 F209L38-P207 HydrophobicContact CD1-CB 4.16Å; L38-P207 HydrophobicContact CD1-CG 4.01Å; L38-P207 HydrophobicContact CD2-CB 4.47Å; L38-P207 HydrophobicContact CD2-CG 4.39Å; Q181-P207 HydrophobicContact CG-CB 3.87Å; G182-P207 VanDerWaalsContact O-CB 3.24Å; G182-P207 WeakPolarHBondContact O-CB 3.43Å; P207-F209 WeakPolarHBondContact CB-O 3.32Å; P207-F209 WeakPolarHBondContact CG-O 3.35Å; P207-F209 PolarHBondContact O-N 2.7Å; P207-F209 VanDerWaalsContact O-N 3.17Å
208R96.1Very high92.6Very high202 Ų20259.2 Ų59.276%0.76231%0.306SS*.SBendtrans-59.1-30.2178.3-70.2166.4171-179.50.9113I180 Q181I180-R208 WeakPolarHBondContact O-CD 3.42Å; I180-R208 PolarHBondContact O-NH1 3.42Å; Q181-R208 VanDerWaalsContact O-CB 3.26Å; Q181-R208 WeakPolarHBondContact O-CB 3.14Å; Q181-R208 WeakPolarHBondContact O-CG 3.39Å; Q181-R208 PolarHBondContact O-N 3.49Å
209F96.2Very high93.1Very high46 Ų4654 Ų5420%0.20228%0.279CS..SBendtrans-146.5153.4168.655.9-94.7000110.3I180 Q181 P207 T213 F214 I217I180-F209 HydrophobicContact CG2-CE1 4.23Å; Q181-F209 VanDerWaalsContact CA-CE1 3.42Å; Q181-F209 HydrophobicContact CB-CD1 4.33Å; Q181-F209 HydrophobicContact CB-CD2 4.39Å; Q181-F209 HydrophobicContact CB-CE1 3.69Å; Q181-F209 HydrophobicContact CB-CE2 3.76Å; Q181-F209 HydrophobicContact CB-CZ 3.37Å; Q181-F209 HydrophobicContact CG-CD1 4.27Å; Q181-F209 HydrophobicContact CG-CD2 3.83Å; Q181-F209 HydrophobicContact CG-CE1 4.07Å; Q181-F209 HydrophobicContact CG-CE2 3.61Å; Q181-F209 HydrophobicContact CG-CG 4.17Å; Q181-F209 HydrophobicContact CG-CZ 3.75Å; Q181-F209 WeakPolarHBondContact CG-O 3.49Å; Q181-F209 PolarHBondContact NE2-O 3.07Å; P207-F209 WeakPolarHBondContact CB-O 3.32Å; P207-F209 WeakPolarHBondContact CG-O 3.35Å; P207-F209 PolarHBondContact O-N 2.7Å; P207-F209 VanDerWaalsContact O-N 3.17Å; F209-T213 HydrophobicContact CB-CG2 4.17Å; F209-T213 HydrophobicContact CD2-CG2 4.04Å; F209-T213 HydrophobicContact CG-CG2 4.37Å; F209-F214 HydrophobicContact CD2-CB 4.33Å; F209-F214 HydrophobicContact CE2-CB 3.82Å; F209-F214 HydrophobicContact CE2-CD2 4.13Å; F209-F214 HydrophobicContact CE2-CG 4.49Å; F209-I217 HydrophobicContact CE2-CD1 4.22Å; F209-I217 HydrophobicContact CZ-CD1 4.44Å
210S96.1Very high93.8Very high57 Ų5754.9 Ų54.940%0.39929%0.286SS..  trans-64.9158.6-172.275.40000113.8S212 T213 F214S210-S212 PolarHBondContact O-N 3.02Å; S210-S212 PolarHBondContact OG-N 2.9Å; S210-T213 WeakPolarHBondContact O-CB 3.31Å; S210-T213 PolarHBondContact O-N 2.98Å; S210-T213 PolarHBondContact OG-N 3.21Å; S210-T213 PolarHBondContact OG-OG1 2.84Å; S210-F214 PolarHBondContact O-N 3.45Å
211V96.1Very high94.3Very high14 Ų1452 Ų529%0.08527%0.268CS..Hα-helixtrans-53.8-40.8170.3179.70000111.2E35 L38 L39 W112 T213 F214 I215E35-V211 HydrophobicContact CG-CG1 4.32Å; E35-V211 WeakPolarHBondContact OE2-CA 3.34Å; E35-V211 WeakPolarHBondContact OE2-CG1 3.35Å; E35-V211 WeakPolarHBondContact OE2-CG2 3.13Å; L38-V211 HydrophobicContact CB-CG2 4.17Å; L38-V211 HydrophobicContact CD1-CG2 3.97Å; L39-V211 HydrophobicContact CD2-CG1 4.08Å; W112-V211 HydrophobicContact CD2-CG1 4.38Å; W112-V211 HydrophobicContact CZ2-CB 4.18Å; V211-T213 PolarHBondContact O-N 3.4Å; V211-F214 WeakPolarHBondContact O-CB 3.33Å; V211-F214 PolarHBondContact O-N 3.32Å; V211-I215 HydrophobicContact CG1-CD1 3.84Å; V211-I215 WeakPolarHBondContact O-CD1 3.3Å; V211-I215 VanDerWaalsContact O-CG1 3.31Å; V211-I215 WeakPolarHBondContact O-CG1 3.41Å; V211-I215 PolarHBondContact O-N 3.28Å
212S96.8Very high94.7Very high29 Ų2950.2 Ų50.220%0.20326%0.257CS..Hα-helixtrans-62.9-41.3176.4-650000112.2S109 W112 S210 I215 Y216S109-S212 WeakPolarHBondContact O-CB 3.44Å; S109-S212 PolarHBondContact O-OG 3.45Å; W112-S212 PolarHBondContact NE1-OG 3.37Å; S210-S212 PolarHBondContact O-N 3.02Å; S210-S212 PolarHBondContact OG-N 2.9Å; S212-I215 PolarHBondContact O-N 3.34Å; S212-Y216 WeakPolarHBondContact O-CD2 3.17Å; S212-Y216 PolarHBondContact O-N 3.17Å
213T96.7Very high95.2Very high63 Ų6351.7 Ų51.739%0.38726%0.262SS..Hα-helixtrans-63.6-42175.4-52.20000111.1F209 S210 V211 Y216 I217F209-T213 HydrophobicContact CB-CG2 4.17Å; F209-T213 HydrophobicContact CD2-CG2 4.04Å; F209-T213 HydrophobicContact CG-CG2 4.37Å; S210-T213 WeakPolarHBondContact O-CB 3.31Å; S210-T213 PolarHBondContact O-N 2.98Å; S210-T213 PolarHBondContact OG-N 3.21Å; S210-T213 PolarHBondContact OG-OG1 2.84Å; V211-T213 PolarHBondContact O-N 3.4Å; T213-Y216 PolarHBondContact O-N 3.15Å; T213-I217 WeakPolarHBondContact O-CG1 3.48Å; T213-I217 PolarHBondContact O-N 3.49Å; T213-I217 VanDerWaalsContact O-N 3.08Å
214F97.5Very high95.5Very high0 Ų051.4 Ų51.40%026%0.264CS..Hα-helixtrans-56.4-51.4174.2177.2-89.7000111.5V34 E35 P174 L177 A178 F209 S210 V211 Y216 I217 L218V34-F214 HydrophobicContact CG2-CE1 4.06Å; V34-F214 HydrophobicContact CG2-CE2 4.21Å; V34-F214 HydrophobicContact CG2-CZ 3.42Å; V34-F214 VanDerWaalsContact CG2-CZ 3.42Å; E35-F214 VanDerWaalsContact CD-CD1 3.45Å; E35-F214 HydrophobicContact CG-CD1 3.48Å; E35-F214 VanDerWaalsContact CG-CD1 3.48Å; E35-F214 HydrophobicContact CG-CE1 3.58Å; E35-F214 HydrophobicContact CG-CG 4.16Å; E35-F214 HydrophobicContact CG-CZ 4.34Å; E35-F214 WeakPolarHBondContact OE1-CD1 3.3Å; E35-F214 VanDerWaalsContact OE1-CD2 3.27Å; E35-F214 WeakPolarHBondContact OE1-CD2 3.22Å; E35-F214 WeakPolarHBondContact OE1-CE2 3.43Å; E35-F214 WeakPolarHBondContact OE1-CG 3.3Å; P174-F214 HydrophobicContact CB-CZ 4.06Å; L177-F214 HydrophobicContact CB-CD2 4.05Å; L177-F214 HydrophobicContact CB-CE2 3.52Å; L177-F214 HydrophobicContact CB-CZ 4.45Å; A178-F214 HydrophobicContact CB-CE2 4.08Å; F209-F214 HydrophobicContact CD2-CB 4.33Å; F209-F214 HydrophobicContact CE2-CB 3.82Å; F209-F214 HydrophobicContact CE2-CD2 4.13Å; F209-F214 HydrophobicContact CE2-CG 4.49Å; S210-F214 PolarHBondContact O-N 3.45Å; V211-F214 WeakPolarHBondContact O-CB 3.33Å; V211-F214 PolarHBondContact O-N 3.32Å; F214-Y216 VanDerWaalsContact C-N 3.31Å; F214-Y216 PolarHBondContact O-N 2.88Å; F214-I217 WeakPolarHBondContact O-CB 3.16Å; F214-I217 PolarHBondContact O-N 3.15Å; F214-I217 VanDerWaalsContact O-N 3.07Å; F214-L218 HydrophobicContact CD1-CD1 4.15Å; F214-L218 HydrophobicContact CD1-CG 4.42Å; F214-L218 HydrophobicContact CE1-CD1 3.54Å; F214-L218 HydrophobicContact CE1-CD2 4.45Å; F214-L218 HydrophobicContact CE1-CG 4.05Å; F214-L218 HydrophobicContact CZ-CD1 4.19Å; F214-L218 HydrophobicContact CZ-CD2 4.4Å; F214-L218 HydrophobicContact CZ-CG 4.48Å; F214-L218 PolarHBondContact O-N 3.06Å
215I96.9Very high95.9Very high6 Ų648.6 Ų48.63%0.03125%0.252CS..Hα-helixtrans-63.1-37.5179.8-62.9159.4000111.3C105 I108 V211 S212 I217 L218 C219C105-I215 VanDerWaalsContact O-CG2 3.23Å; C105-I215 WeakPolarHBondContact O-CG2 3.38Å; I108-I215 HydrophobicContact CB-CG2 4.44Å; I108-I215 HydrophobicContact CG2-CD1 3.74Å; I108-I215 HydrophobicContact CG2-CG2 4.45Å; V211-I215 HydrophobicContact CG1-CD1 3.84Å; V211-I215 WeakPolarHBondContact O-CD1 3.3Å; V211-I215 VanDerWaalsContact O-CG1 3.31Å; V211-I215 WeakPolarHBondContact O-CG1 3.41Å; V211-I215 PolarHBondContact O-N 3.28Å; S212-I215 PolarHBondContact O-N 3.34Å; I215-I217 VanDerWaalsContact C-N 3.3Å; I215-I217 PolarHBondContact O-N 3.33Å; I215-L218 WeakPolarHBondContact O-CA 3.24Å; I215-L218 WeakPolarHBondContact O-CB 3.46Å; I215-L218 PolarHBondContact O-N 3.38Å; I215-L218 VanDerWaalsContact O-N 3.09Å; I215-C219 PolarHBondContact O-N 2.9Å; I215-C219 PolarHBondContact O-SG 3.03Å; I215-C219 VanDerWaalsContact O-SG 3.39Å
216Y97Very high96.2Very high100 Ų10049.3 Ų49.339%0.39225%0.254SS..Hα-helixtrans-62.7-34.6174.1-87.6-59.3000113.3S109 Q110 S212 T213 F214 L218 C219 I220S109-Y216 WeakPolarHBondContact OG-CE2 3.09Å; S109-Y216 PolarHBondContact OG-OH 3.37Å; Q110-Y216 PolarHBondContact NE2-OH 3.37Å; S212-Y216 WeakPolarHBondContact O-CD2 3.17Å; S212-Y216 PolarHBondContact O-N 3.17Å; T213-Y216 PolarHBondContact O-N 3.15Å; F214-Y216 VanDerWaalsContact C-N 3.31Å; F214-Y216 PolarHBondContact O-N 2.88Å; Y216-L218 VanDerWaalsContact C-N 3.3Å; Y216-C219 VanDerWaalsContact O-CB 3.31Å; Y216-C219 WeakPolarHBondContact O-CB 3.29Å; Y216-C219 PolarHBondContact O-N 3.06Å; Y216-I220 PolarHBondContact O-N 3.41Å
217I96.7Very high96.4Very high53 Ų5348 Ų4827%0.27225%0.245SC..Hα-helixtrans-65.3-38.2173.1-63.5164.3000110L177 F209 T213 F214 I215 C219 I220 V221L177-I217 HydrophobicContact CD1-CB 4.38Å; L177-I217 HydrophobicContact CD1-CG2 3.56Å; L177-I217 HydrophobicContact CD2-CG2 4.05Å; L177-I217 HydrophobicContact CG-CG2 4.48Å; F209-I217 HydrophobicContact CE2-CD1 4.22Å; F209-I217 HydrophobicContact CZ-CD1 4.44Å; T213-I217 WeakPolarHBondContact O-CG1 3.48Å; T213-I217 PolarHBondContact O-N 3.49Å; T213-I217 VanDerWaalsContact O-N 3.08Å; F214-I217 WeakPolarHBondContact O-CB 3.16Å; F214-I217 PolarHBondContact O-N 3.15Å; F214-I217 VanDerWaalsContact O-N 3.07Å; I215-I217 VanDerWaalsContact C-N 3.3Å; I215-I217 PolarHBondContact O-N 3.33Å; I217-C219 VanDerWaalsContact C-N 3.32Å; I217-C219 PolarHBondContact O-N 2.94Å; I217-I220 WeakPolarHBondContact O-CB 3.41Å; I217-I220 PolarHBondContact O-N 3.32Å; I217-I220 VanDerWaalsContact O-N 3.12Å; I217-V221 PolarHBondContact O-N 3.5Å
218L96.5Very high96.4Very high3 Ų346.7 Ų46.72%0.01624%0.236CC..Hα-helixtrans-64.7-34.3173.4-57.2-174.6000112.6I27 P174 L177 F214 I215 Y216 I220 V221 L222I27-L218 HydrophobicContact CD1-CD2 4.43Å; I27-L218 HydrophobicContact CG1-CD2 4.17Å; P174-L218 HydrophobicContact CB-CD2 4.36Å; P174-L218 HydrophobicContact CG-CD2 4.1Å; L177-L218 HydrophobicContact CD1-CD2 3.93Å; F214-L218 HydrophobicContact CD1-CD1 4.15Å; F214-L218 HydrophobicContact CD1-CG 4.42Å; F214-L218 HydrophobicContact CE1-CD1 3.54Å; F214-L218 HydrophobicContact CE1-CD2 4.45Å; F214-L218 HydrophobicContact CE1-CG 4.05Å; F214-L218 HydrophobicContact CZ-CD1 4.19Å; F214-L218 HydrophobicContact CZ-CD2 4.4Å; F214-L218 HydrophobicContact CZ-CG 4.48Å; F214-L218 PolarHBondContact O-N 3.06Å; I215-L218 WeakPolarHBondContact O-CA 3.24Å; I215-L218 WeakPolarHBondContact O-CB 3.46Å; I215-L218 PolarHBondContact O-N 3.38Å; I215-L218 VanDerWaalsContact O-N 3.09Å; Y216-L218 VanDerWaalsContact C-N 3.3Å; L218-I220 PolarHBondContact O-N 3.35Å; L218-V221 WeakPolarHBondContact O-CB 3.18Å; L218-V221 PolarHBondContact O-N 3.26Å; L218-V221 VanDerWaalsContact O-N 3.1Å; L218-L222 PolarHBondContact O-N 3.44Å
219C96.1Very high96.4Very high6 Ų637 Ų374%0.04120%0.2CC..Hα-helixtrans-58.3-36.9171.7-63.20000112L102 C105 I106 I215 Y216 I217 V221 L222 L223L102-C219 HydrophobicContact CD1-CB 4.17Å; C105-C219 PolarHBondContact SG-SG 3.21Å; I106-C219 HydrophobicContact CG1-CB 4.49Å; I215-C219 PolarHBondContact O-N 2.9Å; I215-C219 PolarHBondContact O-SG 3.03Å; I215-C219 VanDerWaalsContact O-SG 3.39Å; Y216-C219 VanDerWaalsContact O-CB 3.31Å; Y216-C219 WeakPolarHBondContact O-CB 3.29Å; Y216-C219 PolarHBondContact O-N 3.06Å; I217-C219 VanDerWaalsContact C-N 3.32Å; I217-C219 PolarHBondContact O-N 2.94Å; C219-V221 VanDerWaalsContact C-N 3.34Å; C219-L222 PolarHBondContact O-N 3.24Å; C219-L223 WeakPolarHBondContact O-CB 3.38Å; C219-L223 WeakPolarHBondContact O-CG 3.17Å; C219-L223 PolarHBondContact O-N 2.94Å
220I96.5Very high96.3Very high111 Ų11138.2 Ų38.257%0.56921%0.208SC*.Hα-helixtrans-65-40.3176.2-60.6170.5000110.5Y216 I217 L218 L223 L224Y216-I220 PolarHBondContact O-N 3.41Å; I217-I220 WeakPolarHBondContact O-CB 3.41Å; I217-I220 PolarHBondContact O-N 3.32Å; I217-I220 VanDerWaalsContact O-N 3.12Å; L218-I220 PolarHBondContact O-N 3.35Å; I220-L223 PolarHBondContact O-N 3.34Å; I220-L224 PolarHBondContact O-N 3.11Å
221V95.6Very high96.2Very high20 Ų2039.4 Ų39.412%0.12121%0.209CC..Hα-helixtrans-64.6-40.1176.1-179.40000111.3L23 I27 V173 I217 L218 C219 L224 S225L23-V221 HydrophobicContact CD2-CG1 3.51Å; L23-V221 HydrophobicContact CG-CG1 3.72Å; I27-V221 HydrophobicContact CD1-CG1 4.15Å; I27-V221 HydrophobicContact CG1-CB 4.49Å; I27-V221 HydrophobicContact CG1-CG1 4.1Å; V173-V221 HydrophobicContact CG1-CG2 4.17Å; I217-V221 PolarHBondContact O-N 3.5Å; L218-V221 WeakPolarHBondContact O-CB 3.18Å; L218-V221 PolarHBondContact O-N 3.26Å; L218-V221 VanDerWaalsContact O-N 3.1Å; C219-V221 VanDerWaalsContact C-N 3.34Å; V221-L224 WeakPolarHBondContact O-CB 3.24Å; V221-L224 PolarHBondContact O-N 2.76Å; V221-S225 PolarHBondContact O-N 2.93Å; V221-S225 PolarHBondContact O-OG 3.06Å
222L95.9Very high96.1Very high3 Ų338.8 Ų38.82%0.01621%0.205CC..Hα-helixtrans-66.7-40.2174.1-78.8173.6000112.9I27 V28 L102 C105 L218 C219 L224 S225 L226I27-L222 HydrophobicContact CG2-CD1 4.3Å; I27-L222 HydrophobicContact CG2-CD2 3.48Å; I27-L222 VanDerWaalsContact CG2-CD2 3.48Å; I27-L222 HydrophobicContact CG2-CG 3.68Å; V28-L222 HydrophobicContact CG2-CD1 3.6Å; V28-L222 HydrophobicContact CG2-CG 4.48Å; L102-L222 HydrophobicContact CD1-CB 4.22Å; C105-L222 HydrophobicContact CB-CD1 3.71Å; L218-L222 PolarHBondContact O-N 3.44Å; C219-L222 PolarHBondContact O-N 3.24Å; L222-L224 VanDerWaalsContact C-N 3.3Å; L222-L224 PolarHBondContact O-N 3.22Å; L222-S225 WeakPolarHBondContact O-CB 3.43Å; L222-S225 PolarHBondContact O-N 3.26Å; L222-L226 PolarHBondContact O-N 2.8Å
223L96.9Very high95.8Very high81 Ų8137.9 Ų37.942%0.42420%0.198SC..Hα-helixtrans-60.5-41172.9-80.5168.1000111.6L102 C219 I220 S225 L226 T227L102-L223 HydrophobicContact CD1-CD1 4.47Å; L102-L223 HydrophobicContact CD1-CD2 4.2Å; L102-L223 HydrophobicContact CD1-CG 3.79Å; L102-L223 HydrophobicContact CD2-CD2 3.45Å; L102-L223 VanDerWaalsContact CD2-CD2 3.45Å; L102-L223 HydrophobicContact CD2-CG 4.01Å; L102-L223 HydrophobicContact CG-CD2 4.47Å; C219-L223 WeakPolarHBondContact O-CB 3.38Å; C219-L223 WeakPolarHBondContact O-CG 3.17Å; C219-L223 PolarHBondContact O-N 2.94Å; I220-L223 PolarHBondContact O-N 3.34Å; L223-S225 VanDerWaalsContact C-N 3.34Å; L223-L226 PolarHBondContact O-N 3.45Å; L223-T227 WeakPolarHBondContact O-CB 3.46Å; L223-T227 PolarHBondContact O-N 3.26Å; L223-T227 PolarHBondContact O-OG1 2.65Å
224L96.6Very high95.5Very high83 Ų8338.4 Ų38.444%0.43520%0.203SC..Hα-helixtrans-63-42.1174-178.663000111.3L20 I220 V221 L222 T227 A228L20-L224 HydrophobicContact CD1-CD1 4.32Å; L20-L224 HydrophobicContact CD1-CD2 4.5Å; L20-L224 HydrophobicContact CD1-CG 4.35Å; L20-L224 HydrophobicContact CD2-CD2 3.78Å; L20-L224 HydrophobicContact CD2-CG 4.27Å; I220-L224 PolarHBondContact O-N 3.11Å; V221-L224 WeakPolarHBondContact O-CB 3.24Å; V221-L224 PolarHBondContact O-N 2.76Å; L222-L224 VanDerWaalsContact C-N 3.3Å; L222-L224 PolarHBondContact O-N 3.22Å; L224-T227 PolarHBondContact O-N 3.24Å; L224-A228 VanDerWaalsContact O-CB 3.31Å; L224-A228 WeakPolarHBondContact O-CB 3.27Å; L224-A228 PolarHBondContact O-N 2.93Å
225S96.3Very high94.9Very high0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-63.4-43.7177.2-52.80000111.9L20 G24 V221 L222 L223 A228 F229L20-S225 WeakPolarHBondContact O-CA 3.27Å; L20-S225 WeakPolarHBondContact O-CB 3.37Å; L20-S225 PolarHBondContact O-OG 3.16Å; L20-S225 VanDerWaalsContact O-OG 3.06Å; G24-S225 WeakPolarHBondContact CA-OG 3.44Å; G24-S225 PolarHBondContact N-OG 3.31Å; V221-S225 PolarHBondContact O-N 2.93Å; V221-S225 PolarHBondContact O-OG 3.06Å; L222-S225 WeakPolarHBondContact O-CB 3.43Å; L222-S225 PolarHBondContact O-N 3.26Å; L223-S225 VanDerWaalsContact C-N 3.34Å; S225-A228 PolarHBondContact O-N 2.82Å; S225-F229 PolarHBondContact O-N 3.03Å
226L96.4Very high94Very high30 Ų3043.8 Ų43.816%0.15724%0.239CC..Hα-helixtrans-62.9-44.4174.4178.359.8000111.9Y95 L98 L222 L223 A228 F229 I230Y95-L226 HydrophobicContact CD1-CD1 4.22Å; L98-L226 HydrophobicContact CB-CB 4.41Å; L98-L226 HydrophobicContact CB-CD1 3.93Å; L98-L226 HydrophobicContact CD1-CD1 4.28Å; L222-L226 PolarHBondContact O-N 2.8Å; L223-L226 PolarHBondContact O-N 3.45Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-A228 PolarHBondContact O-N 3Å; L226-F229 PolarHBondContact O-N 3.29Å; L226-I230 HydrophobicContact CD1-CD1 4.35Å; L226-I230 HydrophobicContact CG-CD1 4.13Å; L226-I230 VanDerWaalsContact O-CG1 3.31Å; L226-I230 WeakPolarHBondContact O-CG1 3.33Å; L226-I230 PolarHBondContact O-N 2.96Å
227T96.1Very high92.9Very high71 Ų7144 Ų4444%0.43625%0.246SC..Hα-helixtrans-63.7-41.7176.7-54.60000111L223 L224 F229 I230 L231L223-T227 WeakPolarHBondContact O-CB 3.46Å; L223-T227 PolarHBondContact O-N 3.26Å; L223-T227 PolarHBondContact O-OG1 2.65Å; L224-T227 PolarHBondContact O-N 3.24Å; T227-F229 VanDerWaalsContact C-N 3.33Å; T227-F229 PolarHBondContact O-N 3.36Å; T227-I230 PolarHBondContact O-N 3.29Å; T227-L231 HydrophobicContact CG2-CD1 4.35Å; T227-L231 WeakPolarHBondContact O-CG 3.23Å; T227-L231 PolarHBondContact O-N 3.24Å
228A95.8Very high92.1Very high2 Ų241.5 Ų41.52%0.01723%0.234CC..Hα-helixtrans-61.8-41.6176.200000111.6L17 L20 L224 S225 L226 L231 L232L17-A228 HydrophobicContact CD2-CB 4.09Å; L20-A228 HydrophobicContact CB-CB 3.64Å; L20-A228 HydrophobicContact CD1-CB 4.44Å; L224-A228 VanDerWaalsContact O-CB 3.31Å; L224-A228 WeakPolarHBondContact O-CB 3.27Å; L224-A228 PolarHBondContact O-N 2.93Å; S225-A228 PolarHBondContact O-N 2.82Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-A228 PolarHBondContact O-N 3Å; A228-L231 PolarHBondContact O-N 2.98Å; A228-L232 VanDerWaalsContact O-CB 3.29Å; A228-L232 WeakPolarHBondContact O-CB 3.18Å; A228-L232 PolarHBondContact O-N 3.25Å
229F95.3Very high91.6Very high0 Ų041.6 Ų41.60%023%0.234CC..Hα-helixtrans-65.5-42.6175.1-174.2-111.7000112.5Y21 N94 Y95 L98 Y151 S225 L226 T227 L231 L232 D233Y21-F229 HydrophobicContact CD2-CB 3.93Å; Y21-F229 AromaticContact CD2-CD2 3.79Å; Y21-F229 HydrophobicContact CD2-CD2 3.79Å; Y21-F229 HydrophobicContact CD2-CG 4.14Å; Y21-F229 HydrophobicContact CE1-CD2 4.45Å; Y21-F229 HydrophobicContact CE2-CB 4.39Å; Y21-F229 AromaticContact CE2-CD2 3.62Å; Y21-F229 HydrophobicContact CE2-CD2 3.62Å; Y21-F229 HydrophobicContact CE2-CE2 4.19Å; Y21-F229 HydrophobicContact CE2-CG 4.13Å; Y21-F229 HydrophobicContact CG-CD2 4.27Å; Y21-F229 AromaticContact CZ-CD2 3.94Å; N94-F229 HydrophobicContact CB-CD1 4.3Å; N94-F229 HydrophobicContact CB-CD2 4.5Å; N94-F229 HydrophobicContact CB-CE1 3.61Å; N94-F229 HydrophobicContact CB-CE2 3.85Å; N94-F229 HydrophobicContact CB-CZ 3.37Å; Y95-F229 AromaticContact CD1-CD1 3.87Å; Y95-F229 HydrophobicContact CD1-CD1 3.87Å; Y95-F229 AromaticContact CD1-CE1 3.94Å; Y95-F229 HydrophobicContact CD1-CE1 3.94Å; Y95-F229 AromaticContact CD2-CE1 3.77Å; Y95-F229 HydrophobicContact CD2-CE1 3.77Å; Y95-F229 AromaticContact CE1-CD1 3.69Å; Y95-F229 HydrophobicContact CE1-CD1 3.69Å; Y95-F229 AromaticContact CE1-CE1 3.87Å; Y95-F229 HydrophobicContact CE1-CE1 3.87Å; Y95-F229 HydrophobicContact CE2-CD1 4.35Å; Y95-F229 AromaticContact CE2-CE1 3.7Å; Y95-F229 HydrophobicContact CE2-CE1 3.7Å; Y95-F229 HydrophobicContact CG-CD1 4.27Å; Y95-F229 AromaticContact CG-CE1 3.88Å; Y95-F229 HydrophobicContact CG-CE1 3.88Å; Y95-F229 AromaticContact CZ-CD1 3.95Å; Y95-F229 AromaticContact CZ-CE1 3.75Å; L98-F229 HydrophobicContact CD1-CB 3.78Å; L98-F229 HydrophobicContact CD1-CD1 4.16Å; L98-F229 HydrophobicContact CD1-CG 4.04Å; Y151-F229 AromaticContact CD1-CE2 3.94Å; Y151-F229 HydrophobicContact CD1-CE2 3.94Å; Y151-F229 HydrophobicContact CD2-CE2 4.33Å; Y151-F229 HydrophobicContact CD2-CZ 4.41Å; Y151-F229 HydrophobicContact CE1-CD2 4.49Å; Y151-F229 AromaticContact CE1-CE2 3.65Å; Y151-F229 HydrophobicContact CE1-CE2 3.65Å; Y151-F229 HydrophobicContact CE1-CZ 4.41Å; Y151-F229 HydrophobicContact CE2-CE2 4.06Å; Y151-F229 HydrophobicContact CE2-CZ 4.03Å; Y151-F229 HydrophobicContact CG-CE2 4.27Å; Y151-F229 AromaticContact CZ-CE2 3.71Å; S225-F229 PolarHBondContact O-N 3.03Å; L226-F229 PolarHBondContact O-N 3.29Å; T227-F229 VanDerWaalsContact C-N 3.33Å; T227-F229 PolarHBondContact O-N 3.36Å; F229-L231 VanDerWaalsContact C-N 3.32Å; F229-L231 PolarHBondContact O-N 3.35Å; F229-L232 WeakPolarHBondContact O-CB 3.34Å; F229-L232 PolarHBondContact O-N 3.46Å; F229-D233 VanDerWaalsContact O-CB 3.27Å; F229-D233 WeakPolarHBondContact O-CB 3.28Å; F229-D233 PolarHBondContact O-N 2.76Å
230I95Very high91.1Very high71 Ų7141.6 Ų41.636%0.36424%0.236SC..Hα-helixtrans-57.6-46174.1-69.6162.6000110.6Y95 L226 T227 D233 C234Y95-I230 HydrophobicContact CE1-CG1 3.69Å; L226-I230 HydrophobicContact CD1-CD1 4.35Å; L226-I230 HydrophobicContact CG-CD1 4.13Å; L226-I230 VanDerWaalsContact O-CG1 3.31Å; L226-I230 WeakPolarHBondContact O-CG1 3.33Å; L226-I230 PolarHBondContact O-N 2.96Å; T227-I230 PolarHBondContact O-N 3.29Å; I230-D233 PolarHBondContact O-N 2.9Å; I230-C234 VanDerWaalsContact O-CB 3.28Å; I230-C234 WeakPolarHBondContact O-CB 3.31Å; I230-C234 PolarHBondContact O-N 3.18Å
231L94.6Very high90.6Very high82 Ų8244.3 Ų44.343%0.42924%0.239SC..Hα-helixtrans-66.6-39.3177.8-69174.4000111.5L17 T227 A228 F229 D233 S235L17-L231 HydrophobicContact CD1-CB 4.06Å; L17-L231 HydrophobicContact CD2-CB 4.06Å; L17-L231 HydrophobicContact CD2-CD1 4.08Å; T227-L231 HydrophobicContact CG2-CD1 4.35Å; T227-L231 WeakPolarHBondContact O-CG 3.23Å; T227-L231 PolarHBondContact O-N 3.24Å; A228-L231 PolarHBondContact O-N 2.98Å; F229-L231 VanDerWaalsContact C-N 3.32Å; F229-L231 PolarHBondContact O-N 3.35Å; L231-D233 VanDerWaalsContact C-N 3.32Å; L231-D233 PolarHBondContact O-N 2.94Å; L231-S235 WeakPolarHBondContact O-CB 3.34Å; L231-S235 PolarHBondContact O-N 3.2Å; L231-S235 VanDerWaalsContact O-N 3.11Å; L231-S235 PolarHBondContact O-OG 3.23Å
232L92.9Very high90.1Very high0 Ų047.3 Ų47.30%025%0.25CC..Hα-helixtrans-63.8-38.6177-17368.5000112.2L17 V18 Y21 Y151 A228 F229 G238 L239 G240L17-L232 HydrophobicContact CB-CD1 4.29Å; V18-L232 HydrophobicContact CG2-CD1 3.81Å; V18-L232 HydrophobicContact CG2-CD2 3.75Å; V18-L232 HydrophobicContact CG2-CG 4.46Å; Y21-L232 HydrophobicContact CD1-CD2 4.5Å; Y151-L232 HydrophobicContact CE1-CD2 3.99Å; A228-L232 VanDerWaalsContact O-CB 3.29Å; A228-L232 WeakPolarHBondContact O-CB 3.18Å; A228-L232 PolarHBondContact O-N 3.25Å; F229-L232 WeakPolarHBondContact O-CB 3.34Å; F229-L232 PolarHBondContact O-N 3.46Å; L232-G238 CarbonylContact O-C 3.09Å; L232-G238 VanDerWaalsContact O-CA 3.25Å; L232-G238 WeakPolarHBondContact O-CA 3.06Å; L232-L239 HydrophobicContact CD1-CB 3.97Å; L232-L239 HydrophobicContact CD1-CD1 3.95Å; L232-L239 HydrophobicContact CD1-CG 3.8Å; L232-L239 HydrophobicContact CG-CB 4.4Å; L232-L239 PolarHBondContact O-N 3.45Å; L232-G240 PolarHBondContact O-N 3.15Å
233D91.4Very high89.5Confident11 Ų1147.4 Ų47.46%0.05925%0.25CS..Hα-helixtrans-84.9-45.3-174.9-175.758.6000112.8R91 Y95 Y151 F229 I230 L231R91-D233 IonicContact CZ-OD1 3.98Å; R91-D233 IonicContact CZ-OD2 2.8Å; R91-D233 VanDerWaalsContact NE-CG 3.29Å; R91-D233 IonicContact NE-OD1 3.85Å; R91-D233 PolarHBondContact NE-OD1 3.44Å; R91-D233 VanDerWaalsContact NE-OD1 3.09Å; R91-D233 IonicContact NE-OD2 3.84Å; R91-D233 PolarHBondContact NE-OD2 3.29Å; R91-D233 IonicContact NH2-OD1 3.06Å; R91-D233 IonicContact NH2-OD2 3.09Å; R91-D233 PolarHBondContact NH2-OD2 2.93Å; Y95-D233 WeakPolarHBondContact CE2-OD2 3.42Å; Y95-D233 PolarHBondContact OH-OD2 2.86Å; Y151-D233 WeakPolarHBondContact OH-CB 3.28Å; Y151-D233 PolarHBondContact OH-OD1 3.26Å; F229-D233 VanDerWaalsContact O-CB 3.27Å; F229-D233 WeakPolarHBondContact O-CB 3.28Å; F229-D233 PolarHBondContact O-N 2.76Å; I230-D233 PolarHBondContact O-N 2.9Å; L231-D233 VanDerWaalsContact C-N 3.32Å; L231-D233 PolarHBondContact O-N 2.94Å
234C89.7Confident88.9Confident73 Ų7346.4 Ų46.449%0.49324%0.243SC..Hα-helixtrans-98.1-23.2-170.8-66.60000114.3I230I230-C234 VanDerWaalsContact O-CB 3.28Å; I230-C234 WeakPolarHBondContact O-CB 3.31Å; I230-C234 PolarHBondContact O-N 3.18Å
235S85.8Confident88.2Confident25 Ų2546.3 Ų46.318%0.17524%0.241CC..SBendtrans-75.3148.5-176.282.60000111.7L231 I237 G238L231-S235 WeakPolarHBondContact O-CB 3.34Å; L231-S235 PolarHBondContact O-N 3.2Å; L231-S235 VanDerWaalsContact O-N 3.11Å; L231-S235 PolarHBondContact O-OG 3.23Å; S235-I237 PolarHBondContact O-N 3.34Å; S235-G238 PolarHBondContact O-N 3.32Å; S235-G238 WeakPolarHBondContact OG-CA 3.24Å; S235-G238 PolarHBondContact OG-N 3.29Å
236P76.9Confident87.4Confident94 Ų9449.3 Ų49.361%0.6126%0.255SS*.THydrogen-bonded Turntrans-66.4-18176.726.7-34.3000113.4
237I74.5Confident86.5Confident105 Ų10549.4 Ų49.454%0.53825%0.253SS..THydrogen-bonded Turntrans-91.8-15.8177-52.6161.7000110.7L13 S235L13-I237 HydrophobicContact CD2-CG2 3.97Å; S235-I237 PolarHBondContact O-N 3.34Å
238G79.9Confident85.5Confident1 Ų153 Ų531%0.0126%0.259CS..SBendtrans-73.1170.6179.400000113L232 S235L232-G238 CarbonylContact O-C 3.09Å; L232-G238 VanDerWaalsContact O-CA 3.25Å; L232-G238 WeakPolarHBondContact O-CA 3.06Å; S235-G238 PolarHBondContact O-N 3.32Å; S235-G238 WeakPolarHBondContact OG-CA 3.24Å; S235-G238 PolarHBondContact OG-N 3.29Å
239L86.4Confident84.5Confident4 Ų458 Ų582%0.02128%0.28CS..SBendtrans-84.4-14.6-178.3-62.7177.5000113A14 V18 L152 M155 Y159 L232 R241 F242 I243A14-L239 HydrophobicContact CB-CD2 4.35Å; A14-L239 HydrophobicContact CB-CG 4.21Å; V18-L239 HydrophobicContact CG2-CD1 4.04Å; L152-L239 HydrophobicContact CD2-CD1 4.09Å; M155-L239 HydrophobicContact CG-CD1 4.43Å; M155-L239 HydrophobicContact SD-CB 4.36Å; M155-L239 HydrophobicContact SD-CD2 4.12Å; Y159-L239 HydrophobicContact CD1-CD1 3.87Å; Y159-L239 HydrophobicContact CD2-CD1 3.93Å; Y159-L239 HydrophobicContact CD2-CD2 4.47Å; Y159-L239 HydrophobicContact CE1-CD1 4.04Å; Y159-L239 HydrophobicContact CE1-CD2 4.48Å; Y159-L239 HydrophobicContact CE2-CD1 4.05Å; Y159-L239 HydrophobicContact CE2-CD2 3.84Å; Y159-L239 HydrophobicContact CG-CD1 3.81Å; L232-L239 HydrophobicContact CD1-CB 3.97Å; L232-L239 HydrophobicContact CD1-CD1 3.95Å; L232-L239 HydrophobicContact CD1-CG 3.8Å; L232-L239 HydrophobicContact CG-CB 4.4Å; L232-L239 PolarHBondContact O-N 3.45Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.93Å; L239-F242 PolarHBondContact O-N 2.99Å; L239-I243 HydrophobicContact CB-CD1 3.58Å; L239-I243 HydrophobicContact CB-CG1 4.13Å; L239-I243 WeakPolarHBondContact O-CB 3.29Å; L239-I243 VanDerWaalsContact O-CG1 3.32Å; L239-I243 WeakPolarHBondContact O-CG1 3.32Å; L239-I243 PolarHBondContact O-N 3.26Å
240G85.3Confident83.3Confident7 Ų760.8 Ų60.87%0.07230%0.298CS..Hα-helixtrans-54.4-40.8-171.500000114.5L232 H244L232-G240 PolarHBondContact O-N 3.15Å; G240-H244 VanDerWaalsContact O-CB 3.23Å; G240-H244 WeakPolarHBondContact O-CB 3.42Å; G240-H244 PolarHBondContact O-N 3.21Å
241R85Confident82Confident168 Ų16860.2 Ų60.263%0.63430%0.295SS*.Hα-helixtrans-64.5-45.4176.4-68.3-174.7-178.4-171.50.1112.4L239 H244 E245L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.93Å; R241-H244 PolarHBondContact O-N 3.32Å; R241-E245 WeakPolarHBondContact O-CB 3.28Å; R241-E245 PolarHBondContact O-N 3.47Å
242F85.4Confident80.6Confident82 Ų8263.2 Ų63.236%0.3631%0.305SS..Hα-helixtrans-68.1-41.4180-64.8-71.8000111.8I8 M155 L239 E245 H246I8-F242 HydrophobicContact CD1-CB 3.7Å; I8-F242 HydrophobicContact CD1-CD1 3.99Å; I8-F242 HydrophobicContact CD1-CG 3.93Å; I8-F242 HydrophobicContact CG1-CB 4.45Å; I8-F242 HydrophobicContact CG1-CD1 3.84Å; I8-F242 HydrophobicContact CG1-CE1 4.27Å; I8-F242 HydrophobicContact CG1-CG 4.15Å; M155-F242 HydrophobicContact CE-CB 4.01Å; M155-F242 HydrophobicContact SD-CB 4.12Å; L239-F242 PolarHBondContact O-N 2.99Å; F242-E245 PolarHBondContact O-N 3.42Å; F242-H246 VanDerWaalsContact O-CB 3.32Å; F242-H246 WeakPolarHBondContact O-CB 3.34Å; F242-H246 PolarHBondContact O-N 3.49Å
243I84.2Confident79Confident5 Ų567.8 Ų67.83%0.02633%0.328CS..Hα-helixtrans-60.6-47.7175.1-69.5166.1000109.9P88 Y151 L152 M155 L239 E245 H246 Y247P88-I243 HydrophobicContact CG-CG2 4.03Å; Y151-I243 HydrophobicContact CD1-CD1 3.78Å; Y151-I243 HydrophobicContact CD2-CG2 4.46Å; Y151-I243 HydrophobicContact CE1-CD1 3.36Å; Y151-I243 HydrophobicContact CE2-CD1 4.43Å; Y151-I243 HydrophobicContact CE2-CG2 4.31Å; Y151-I243 HydrophobicContact CG-CD1 4.46Å; Y151-I243 WeakPolarHBondContact O-CD1 3.19Å; Y151-I243 WeakPolarHBondContact O-CG2 3.44Å; L152-I243 HydrophobicContact CD2-CD1 4.29Å; M155-I243 HydrophobicContact CE-CG1 3.96Å; M155-I243 HydrophobicContact CG-CD1 4.31Å; M155-I243 HydrophobicContact CG-CG1 3.79Å; M155-I243 HydrophobicContact SD-CG1 3.73Å; L239-I243 HydrophobicContact CB-CD1 3.58Å; L239-I243 HydrophobicContact CB-CG1 4.13Å; L239-I243 WeakPolarHBondContact O-CB 3.29Å; L239-I243 VanDerWaalsContact O-CG1 3.32Å; L239-I243 WeakPolarHBondContact O-CG1 3.32Å; L239-I243 PolarHBondContact O-N 3.26Å; I243-E245 PolarHBondContact O-N 2.85Å; I243-H246 PolarHBondContact O-N 3.44Å; I243-Y247 WeakPolarHBondContact O-CB 3.3Å; I243-Y247 PolarHBondContact O-N 3.2Å
244H83.1Confident77.6Confident60 Ų6071.5 Ų71.528%0.27835%0.351SS..Hα-helixtrans-62.9-42.8178.1-174.577.8000112.3R84 Q87 G240 R241 R248R84-H244 PolarHBondContact O-CE1 3.04Å; R84-H244 VanDerWaalsContact O-CE1 3.22Å; Q87-H244 PolarHBondContact O-CE1 2.98Å; Q87-H244 PolarHBondContact O-ND1 3.5Å; G240-H244 VanDerWaalsContact O-CB 3.23Å; G240-H244 WeakPolarHBondContact O-CB 3.42Å; G240-H244 PolarHBondContact O-N 3.21Å; R241-H244 PolarHBondContact O-N 3.32Å; H244-R248 WeakPolarHBondContact O-CB 3.46Å; H244-R248 PolarHBondContact O-N 3.44Å
245E81.9Confident76.1Confident81 Ų8172.7 Ų72.738%0.37935%0.349SS..Hα-helixtrans-64.6-44.4176.7-170.1-176.316200111.9R241 F242 I243 R248 K249R241-E245 WeakPolarHBondContact O-CB 3.28Å; R241-E245 PolarHBondContact O-N 3.47Å; F242-E245 PolarHBondContact O-N 3.42Å; I243-E245 PolarHBondContact O-N 2.85Å; E245-R248 PolarHBondContact O-N 2.93Å; E245-K249 HydrophobicContact CG-CD 4.44Å; E245-K249 WeakPolarHBondContact O-CG 3.34Å; E245-K249 PolarHBondContact O-N 2.85Å; E245-K249 WeakPolarHBondContact OE1-CE 3.39Å; E245-K249 IonicContact OE1-NZ 3.56Å; E245-K249 PolarHBondContact OE1-NZ 3.48Å
246H80Confident74.6Confident64 Ų6474 Ų7430%0.29636%0.359SS..Hα-helixtrans-60-49.8176.1-179.383000111.1G154 M155 F242 I243 R248 K249 T250G154-H246 WeakPolarHBondContact CA-NE2 3.49Å; M155-H246 HydrophobicContact CE-CB 4.38Å; F242-H246 VanDerWaalsContact O-CB 3.32Å; F242-H246 WeakPolarHBondContact O-CB 3.34Å; F242-H246 PolarHBondContact O-N 3.49Å; I243-H246 PolarHBondContact O-N 3.44Å; H246-R248 VanDerWaalsContact C-N 3.31Å; H246-R248 PolarHBondContact O-N 2.72Å; H246-K249 PolarHBondContact O-N 3.36Å; H246-T250 PolarHBondContact NE2-OG1 2.95Å; H246-T250 PolarHBondContact O-N 3.25Å; H246-T250 PolarHBondContact O-OG1 3.3Å; H246-T250 VanDerWaalsContact O-OG1 3.06Å
247Y76.6Confident73.3Confident32 Ų3273.3 Ų73.313%0.12535%0.35CS..Hα-helixtrans-57.2-43.5177.4-179.5-88.6000112.1E75 Q87 P88 I243 N251E75-Y247 WeakPolarHBondContact CG-OH 3.45Å; Q87-Y247 HydrophobicContact CB-CD1 3.92Å; Q87-Y247 HydrophobicContact CB-CE1 3.48Å; Q87-Y247 VanDerWaalsContact CB-CE1 3.48Å; Q87-Y247 HydrophobicContact CG-CE1 3.64Å; P88-Y247 HydrophobicContact CB-CD1 4.4Å; P88-Y247 HydrophobicContact CB-CD2 3.62Å; P88-Y247 HydrophobicContact CB-CE2 3.88Å; P88-Y247 HydrophobicContact CB-CG 3.88Å; I243-Y247 WeakPolarHBondContact O-CB 3.3Å; I243-Y247 PolarHBondContact O-N 3.2Å; Y247-N251 VanDerWaalsContact CD1-ND2 3.32Å; Y247-N251 WeakPolarHBondContact CD1-ND2 3.49Å; Y247-N251 WeakPolarHBondContact CE1-ND2 3.12Å; Y247-N251 WeakPolarHBondContact CE2-ND2 3.29Å; Y247-N251 PolarHBondContact O-N 3.46Å; Y247-N251 VanDerWaalsContact O-N 3.07Å; Y247-N251 PolarHBondContact O-ND2 3.26Å
248R75.7Confident72.2Confident146 Ų14671.1 Ų71.155%0.55135%0.347SS*.Hα-helixtrans-64.7-43.6178.1-176.9179171.2-171-6.7112.2R84 H244 E245 H246 F252R84-R248 VanDerWaalsContact NH2-NH2 3.15Å; H244-R248 WeakPolarHBondContact O-CB 3.46Å; H244-R248 PolarHBondContact O-N 3.44Å; E245-R248 PolarHBondContact O-N 2.93Å; H246-R248 VanDerWaalsContact C-N 3.31Å; H246-R248 PolarHBondContact O-N 2.72Å; R248-F252 WeakPolarHBondContact O-CB 3.36Å; R248-F252 PolarHBondContact O-N 2.97Å
249K74.9Confident70.6Confident107 Ų10775.8 Ų75.847%0.46537%0.372SS..Hα-helixtrans-62.9-46.4177.6-75.1178.3-176.7170.50111.3E245 H246 N251 F252 I253E245-K249 HydrophobicContact CG-CD 4.44Å; E245-K249 WeakPolarHBondContact O-CG 3.34Å; E245-K249 PolarHBondContact O-N 2.85Å; E245-K249 WeakPolarHBondContact OE1-CE 3.39Å; E245-K249 IonicContact OE1-NZ 3.56Å; E245-K249 PolarHBondContact OE1-NZ 3.48Å; H246-K249 PolarHBondContact O-N 3.36Å; K249-N251 PolarHBondContact O-N 2.85Å; K249-F252 PolarHBondContact O-N 3.3Å; K249-I253 VanDerWaalsContact O-CG1 3.32Å; K249-I253 WeakPolarHBondContact O-CG1 3.38Å; K249-I253 PolarHBondContact O-N 2.92Å
250T70.6Confident68.8Low59 Ų5980.2 Ų80.236%0.36240%0.395SS..Hα-helixtrans-62.4-44.9-179.3-590000111.6H246 I253 V254H246-T250 PolarHBondContact NE2-OG1 2.95Å; H246-T250 PolarHBondContact O-N 3.25Å; H246-T250 PolarHBondContact O-OG1 3.3Å; H246-T250 VanDerWaalsContact O-OG1 3.06Å; T250-I253 PolarHBondContact O-N 3.42Å; T250-V254 WeakPolarHBondContact O-CG2 3.25Å; T250-V254 PolarHBondContact O-N 3.37Å; T250-V254 VanDerWaalsContact O-N 3.13Å
251N67.4Low66.8Low58 Ų5887.6 Ų87.631%0.3143%0.427SS..Hα-helixtrans-67.5-37177.1-76.4-56.8000113.2Y247 K249 I253 V254 E255Y247-N251 VanDerWaalsContact CD1-ND2 3.32Å; Y247-N251 WeakPolarHBondContact CD1-ND2 3.49Å; Y247-N251 WeakPolarHBondContact CE1-ND2 3.12Å; Y247-N251 WeakPolarHBondContact CE2-ND2 3.29Å; Y247-N251 PolarHBondContact O-N 3.46Å; Y247-N251 VanDerWaalsContact O-N 3.07Å; Y247-N251 PolarHBondContact O-ND2 3.26Å; K249-N251 PolarHBondContact O-N 2.85Å; N251-I253 VanDerWaalsContact C-N 3.34Å; N251-I253 PolarHBondContact O-N 2.92Å; N251-V254 PolarHBondContact O-N 2.9Å; N251-E255 WeakPolarHBondContact O-CB 3.36Å; N251-E255 PolarHBondContact O-N 2.9Å
252F64.5Low64.9Low146 Ų14683.9 Ų83.964%0.6443%0.427SS*.Hα-helixtrans-62.5-39.8175.6-173.3-96.2000112.3R248 K249 E255 S256R248-F252 WeakPolarHBondContact O-CB 3.36Å; R248-F252 PolarHBondContact O-N 2.97Å; K249-F252 PolarHBondContact O-N 3.3Å; F252-E255 PolarHBondContact O-N 3.48Å; F252-S256 WeakPolarHBondContact O-CB 3.38Å; F252-S256 PolarHBondContact O-N 3.27Å
253I59.9Low62.7Low96 Ų9684.4 Ų84.449%0.49243%0.432SS..Hα-helixtrans-65.1-42.5175.8-67164.3000111K249 T250 N251 S256 N257K249-I253 VanDerWaalsContact O-CG1 3.32Å; K249-I253 WeakPolarHBondContact O-CG1 3.38Å; K249-I253 PolarHBondContact O-N 2.92Å; T250-I253 PolarHBondContact O-N 3.42Å; N251-I253 VanDerWaalsContact C-N 3.34Å; N251-I253 PolarHBondContact O-N 2.92Å; I253-S256 PolarHBondContact O-N 3.34Å; I253-N257 WeakPolarHBondContact O-CB 3.43Å; I253-N257 PolarHBondContact O-N 3.41Å; I253-N257 PolarHBondContact O-ND2 3.17Å
254V61.6Low60.5Low88 Ų8888.5 Ų88.553%0.53345%0.454SS..Hα-helixtrans-63.4-43.7178172.40000111.2T250 N251 N257 A258T250-V254 WeakPolarHBondContact O-CG2 3.25Å; T250-V254 PolarHBondContact O-N 3.37Å; T250-V254 VanDerWaalsContact O-N 3.13Å; N251-V254 PolarHBondContact O-N 2.9Å; V254-N257 PolarHBondContact O-N 2.95Å; V254-A258 WeakPolarHBondContact O-CB 3.37Å; V254-A258 PolarHBondContact O-N 2.94Å
255E58.3Low58.6Low98 Ų9890.3 Ų90.346%0.45847%0.471SS..Hα-helixtrans-65.5-41.9177.5-166.7173.7-166.200111.7N251 F252 A258 N259N251-E255 WeakPolarHBondContact O-CB 3.36Å; N251-E255 PolarHBondContact O-N 2.9Å; F252-E255 PolarHBondContact O-N 3.48Å; E255-A258 PolarHBondContact O-N 3.45Å; E255-N259 VanDerWaalsContact O-CG 3.31Å; E255-N259 PolarHBondContact O-N 2.94Å; E255-N259 VanDerWaalsContact O-N 3.12Å; E255-N259 PolarHBondContact O-ND2 3.06Å
256S55Low56.6Low53 Ų5391.3 Ų91.337%0.37148%0.479SS..Hα-helixtrans-63.7-42.3176-171.40000112.5F252 I253 N259 I260F252-S256 WeakPolarHBondContact O-CB 3.38Å; F252-S256 PolarHBondContact O-N 3.27Å; I253-S256 PolarHBondContact O-N 3.34Å; S256-N259 PolarHBondContact O-N 3.38Å; S256-I260 WeakPolarHBondContact O-CG1 3.41Å; S256-I260 PolarHBondContact O-N 3.48Å
257N49.1Very low54.9Low80 Ų8090 Ų9043%0.42848%0.478SS..Hα-helixtrans-69.1-36.9177.8-73.3-16.7000112.3I253 V254 N259 I260 H261I253-N257 WeakPolarHBondContact O-CB 3.43Å; I253-N257 PolarHBondContact O-N 3.41Å; I253-N257 PolarHBondContact O-ND2 3.17Å; V254-N257 PolarHBondContact O-N 2.95Å; N257-N259 VanDerWaalsContact C-N 3.3Å; N257-N259 PolarHBondContact O-N 3.45Å; N257-I260 PolarHBondContact O-N 2.9Å; N257-H261 PolarHBondContact O-CD2 2.94Å; N257-H261 PolarHBondContact O-N 3.03Å
258A52Low53.2Low58 Ų5894.2 Ų94.248%0.47950%0.502SS..Hα-helixtrans-62.5-37.8175.100000112V254 E255 S262V254-A258 WeakPolarHBondContact O-CB 3.37Å; V254-A258 PolarHBondContact O-N 2.94Å; E255-A258 PolarHBondContact O-N 3.45Å; A258-S262 PolarHBondContact O-N 2.9Å
259N46.1Very low51.5Low100 Ų10094.3 Ų94.354%0.53551%0.508SS..Hα-helixtrans-72.3-26.5176.2-68.8-24.6000113.5E255 S256 N257 S262E255-N259 VanDerWaalsContact O-CG 3.31Å; E255-N259 PolarHBondContact O-N 2.94Å; E255-N259 VanDerWaalsContact O-N 3.12Å; E255-N259 PolarHBondContact O-ND2 3.06Å; S256-N259 PolarHBondContact O-N 3.38Å; N257-N259 VanDerWaalsContact C-N 3.3Å; N257-N259 PolarHBondContact O-N 3.45Å; N259-S262 PolarHBondContact O-OG 2.96Å
260I47.8Very low49.6Very low96 Ų9699 Ų9949%0.49252%0.523SS..Hα-helixtrans-76.4-40174.4-67164.4000110.5S256 N257 S262 I263S256-I260 WeakPolarHBondContact O-CG1 3.41Å; S256-I260 PolarHBondContact O-N 3.48Å; N257-I260 PolarHBondContact O-N 2.9Å; I260-S262 VanDerWaalsContact C-N 3.28Å; I260-S262 PolarHBondContact O-N 3.42Å; I260-I263 WeakPolarHBondContact O-CB 3.49Å; I260-I263 PolarHBondContact O-N 3.28Å
261H44.3Very low48.1Very low163 Ų163104.5 Ų104.576%0.75554%0.542SS*.Hα-helixtrans-73-15.2179.4-77.5-61.5000114.6N257 I263N257-H261 PolarHBondContact O-CD2 2.94Å; N257-H261 PolarHBondContact O-N 3.03Å; H261-I263 VanDerWaalsContact C-N 3.27Å
262S44.3Very low46.9Very low89 Ų89110.3 Ų110.362%0.62257%0.565SS**THydrogen-bonded Turntrans-79.9-8.5171.364.20000113.3A258 N259 I260 N264A258-S262 PolarHBondContact O-N 2.9Å; N259-S262 PolarHBondContact O-OG 2.96Å; I260-S262 VanDerWaalsContact C-N 3.28Å; I260-S262 PolarHBondContact O-N 3.42Å; S262-N264 PolarHBondContact O-N 3.41Å
263I40.1Very low45.9Very low93 Ų93108.4 Ų108.448%0.47757%0.569SS.*SBendtrans-77.7104.4171.7-55.8174.3000107.9I260 H261I260-I263 WeakPolarHBondContact O-CB 3.49Å; I260-I263 PolarHBondContact O-N 3.28Å; H261-I263 VanDerWaalsContact C-N 3.27Å
264N36.5Very low44.8Very low91 Ų91110.3 Ų110.349%0.48758%0.58SS.*  trans-57125.8177.3-169-15.8000109.3S262 N266 S267S262-N264 PolarHBondContact O-N 3.41Å; N264-N266 PolarHBondContact O-N 2.92Å; N264-N266 PolarHBondContact OD1-N 3.36Å; N264-S267 WeakPolarHBondContact O-CA 3.23Å; N264-S267 WeakPolarHBondContact O-CB 3.41Å; N264-S267 PolarHBondContact O-N 2.95Å; N264-S267 PolarHBondContact O-OG 3.34Å
265P43.9Very low43.6Very low98 Ų98109.9 Ų109.964%0.63659%0.594SS**Hα-helixtrans-55.6-28.317917.2-29.4000112.6S267 L268P265-S267 VanDerWaalsContact C-N 3.28Å; P265-S267 PolarHBondContact O-N 3.13Å; P265-L268 PolarHBondContact O-N 3.02Å
266N40Very low42.4Very low102 Ų102112.4 Ų112.455%0.54561%0.61SS.*Hα-helixtrans-74.9-14.4176.3-62-8.7000113.8N264N264-N266 PolarHBondContact O-N 2.92Å; N264-N266 PolarHBondContact OD1-N 3.36Å
267S45Very low41.3Very low38 Ų38118.5 Ų118.527%0.26663%0.633SS.*Hα-helixtrans-77.9-34.9172.467.50000111N264 P265 E269 R270 F271N264-S267 WeakPolarHBondContact O-CA 3.23Å; N264-S267 WeakPolarHBondContact O-CB 3.41Å; N264-S267 PolarHBondContact O-N 2.95Å; N264-S267 PolarHBondContact O-OG 3.34Å; P265-S267 VanDerWaalsContact C-N 3.28Å; P265-S267 PolarHBondContact O-N 3.13Å; S267-E269 VanDerWaalsContact C-N 3.3Å; S267-E269 PolarHBondContact O-N 2.69Å; S267-R270 PolarHBondContact O-N 3.27Å; S267-F271 VanDerWaalsContact O-CD2 3.23Å; S267-F271 WeakPolarHBondContact O-CD2 3.3Å; S267-F271 PolarHBondContact O-N 3.15Å; S267-F271 VanDerWaalsContact O-N 3.16Å
268L40.4Very low40.5Very low120 Ų120123 Ų12363%0.62865%0.651SS**Hα-helixtrans-67.3-28.7178.4-150.476000112.9P265P265-L268 PolarHBondContact O-N 3.02Å
269E39.7Very low39.5Very low148 Ų148128 Ų12869%0.69267%0.668SS**Hα-helixtrans-80.4-30.5174.3-72.7-171155.800113.6S267 K272S267-E269 VanDerWaalsContact C-N 3.3Å; S267-E269 PolarHBondContact O-N 2.69Å; E269-K272 PolarHBondContact O-N 3.29Å
270R35.1Very low38.7Very low205 Ų205127.5 Ų127.577%0.77467%0.672SS**Hα-helixtrans-71.9-29173.2-80.9-173.3-168.5176.23.9113.1S267 K272 S273S267-R270 PolarHBondContact O-N 3.27Å; R270-K272 PolarHBondContact O-N 2.67Å; R270-S273 PolarHBondContact O-N 3.36Å
271F38.6Very low37.8Very low175 Ų175130.2 Ų130.277%0.76869%0.687SS**THydrogen-bonded Turntrans-69.1-12.2176.7-92-77.5000114.2S267S267-F271 VanDerWaalsContact O-CD2 3.23Å; S267-F271 WeakPolarHBondContact O-CD2 3.3Å; S267-F271 PolarHBondContact O-N 3.15Å; S267-F271 VanDerWaalsContact O-N 3.16Å
272K43.5Very low37.3Very low180 Ų180130.1 Ų130.178%0.78369%0.692SS**THydrogen-bonded Turntrans-88.9-8.9173.7-78.6-177.9176.3176.20114.3E269 R270E269-K272 PolarHBondContact O-N 3.29Å; R270-K272 PolarHBondContact O-N 2.67Å
273S42.2Very low36.8Very low105 Ų105130.4 Ų130.473%0.73469%0.69SS**THydrogen-bonded Turntrans-114.7-7.9-171.5-166.70000115.1R270R270-S273 PolarHBondContact O-N 3.36Å
274D38.1Very low36.4Very low136 Ų136132.4 Ų132.473%0.72770%0.696SS**  trans-115.6107.1178.2-108.3-23.5000110.3N276D274-N276 PolarHBondContact O-N 2.6Å
275G36.3Very low36.2Very low79 Ų79135.4 Ų135.481%0.81471%0.707SS**  trans-73.652-176.700000114.4
276N33Very low35.7Very low151 Ų151140.5 Ų140.581%0.80772%0.715SS**  trans-108.1104.9173.7-90.2-18.4000112D274 H278D274-N276 PolarHBondContact O-N 2.6Å; N276-H278 PolarHBondContact O-N 3.31Å
277Q32.5Very low35.5Very low181 Ų181141.7 Ų141.785%0.84672%0.72SS**  trans-50.3117.7161.6-71.8169.6-31.300110.5
278H31Very low35.1Very low174 Ų174147.2 Ų147.281%0.80674%0.741SS**  trans154.5127.6137.9-94.5-81.8000107.9N276N276-H278 PolarHBondContact O-N 3.31Å
279I30.7Very low34.9Very low164 Ų164147.7 Ų147.784%0.84175%0.745SS**SBendtrans117.1108.5167.5-58.3156000113
280C29.4Very low34.9Very low90 Ų90144.7 Ų144.761%0.60874%0.736SS**  trans79.381.7166-67.10000119.3D282C280-D282 VanDerWaalsContact C-N 3.27Å; C280-D282 PolarHBondContact O-N 3.06Å
281N29.7Very low35Very low152 Ų152140 Ų14081%0.81373%0.727SS**THydrogen-bonded Turntrans-72-6.4166.4-88-5.7000114.9
282D33.3Very low35.4Very low161 Ų161136.7 Ų136.786%0.86172%0.721SS**THydrogen-bonded Turntrans-94.5-4.2-171.4-63.5-30.5000114.6C280C280-D282 VanDerWaalsContact C-N 3.27Å; C280-D282 PolarHBondContact O-N 3.06Å
283T33.9Very low35.1Very low95 Ų95131.4 Ų131.458%0.58371%0.706SS**SBendtrans-112.5-13.5-173.4-25.60000113.7
284F32.3Very low35.1Very low136 Ų136129.5 Ų129.560%0.59669%0.69SS**SBendtrans-93.2-18.7-173.5-142.9-97000113.9Y286F284-Y286 VanDerWaalsContact C-N 3.32Å; F284-Y286 PolarHBondContact O-N 3.06Å
285E32.3Very low35Very low154 Ų154128.3 Ų128.372%0.7268%0.683SS**THydrogen-bonded Turntrans-78.9-14.2-179.7-154.6172.1-169.100113.3N289E285-N289 PolarHBondContact O-ND2 2.92Å; E285-N289 VanDerWaalsContact O-ND2 3.13Å
286Y31.8Very low34.9Very low204 Ų204128.9 Ų128.980%0.867%0.668SS**THydrogen-bonded Turntrans-89.8-26.3-179.8-145.8-93.8000113.6F284F284-Y286 VanDerWaalsContact C-N 3.32Å; F284-Y286 PolarHBondContact O-N 3.06Å
287I36.3Very low35.2Very low127 Ų127127.8 Ų127.865%0.65166%0.657SS**THydrogen-bonded Turntrans-87.8-21.7-174.1-63.1174.6000111.4
288Q36.4Very low35.5Very low154 Ų154123 Ų12372%0.7264%0.637SS**THydrogen-bonded Turntrans-85.7-5.5-179.7-133.3170.3-11.900114.2
289N36.2Very low35.8Very low131 Ų131121 Ų12170%0.70163%0.628SS**THydrogen-bonded Turntrans-104.611.1178.7-74.8-38.9000113.6E285 D291E285-N289 PolarHBondContact O-ND2 2.92Å; E285-N289 VanDerWaalsContact O-ND2 3.13Å; N289-D291 PolarHBondContact O-N 3.08Å
290V40.6Very low36Very low84 Ų84119.3 Ų119.351%0.50962%0.616SS.*  trans-86.6101.8177.5-175.50000109.5V294V290-V294 HydrophobicContact CG1-CB 4.06Å; V290-V294 HydrophobicContact CG1-CG1 4.16Å
291D37Very low36.4Very low108 Ų108118.7 Ų118.758%0.57861%0.61SS**  trans-61.8140.9179.3-155.1-12.1000111.5N289 S293 V294N289-D291 PolarHBondContact O-N 3.08Å; D291-S293 WeakPolarHBondContact CB-OG 3.47Å; D291-S293 PolarHBondContact O-N 3.08Å; D291-S293 VanDerWaalsContact O-N 3.09Å; D291-S293 PolarHBondContact OD2-OG 3.02Å; D291-V294 HydrophobicContact CB-CG2 4.26Å; D291-V294 VanDerWaalsContact O-CB 3.27Å; D291-V294 WeakPolarHBondContact O-CB 3.22Å; D291-V294 PolarHBondContact O-N 3.36Å
292V46.3Very low36.8Very low105 Ų105114.6 Ų114.664%0.63659%0.59SS**Hα-helixtrans-60.8-23.4-177.7174.40000111.6V294 L295 N296V292-V294 VanDerWaalsContact C-N 3.28Å; V292-V294 PolarHBondContact O-N 3.27Å; V292-L295 PolarHBondContact O-N 2.88Å; V292-N296 PolarHBondContact O-N 3.24Å
293S37.3Very low36.8Very low68 Ų68113.6 Ų113.648%0.47658%0.58SS.*Hα-helixtrans-60.2-33.8170.2600000113.2D291 H297D291-S293 WeakPolarHBondContact CB-OG 3.47Å; D291-S293 PolarHBondContact O-N 3.08Å; D291-S293 VanDerWaalsContact O-N 3.09Å; D291-S293 PolarHBondContact OD2-OG 3.02Å; S293-H297 PolarHBondContact O-N 3.06Å; S293-H297 VanDerWaalsContact O-N 3.13Å
294V42.7Very low36.9Very low65 Ų65112.2 Ų112.239%0.39457%0.574SS.*Hα-helixtrans-70.8-36.4177.1-177.70000110.6V290 D291 V292 H297 I298V290-V294 HydrophobicContact CG1-CB 4.06Å; V290-V294 HydrophobicContact CG1-CG1 4.16Å; D291-V294 HydrophobicContact CB-CG2 4.26Å; D291-V294 VanDerWaalsContact O-CB 3.27Å; D291-V294 WeakPolarHBondContact O-CB 3.22Å; D291-V294 PolarHBondContact O-N 3.36Å; V292-V294 VanDerWaalsContact C-N 3.28Å; V292-V294 PolarHBondContact O-N 3.27Å; V294-H297 PolarHBondContact O-N 3.44Å; V294-I298 HydrophobicContact CG1-CD1 4.02Å; V294-I298 HydrophobicContact CG1-CG1 4.49Å; V294-I298 VanDerWaalsContact O-CG1 3.24Å; V294-I298 WeakPolarHBondContact O-CG1 3.5Å; V294-I298 PolarHBondContact O-N 3.24Å
295L35.4Very low37Very low111 Ų111111.4 Ų111.458%0.58157%0.573SS**Hα-helixtrans-67.7-41.2178.9-157.273.5000111.8V292 H297 I298 E299V292-L295 PolarHBondContact O-N 2.88Å; L295-H297 VanDerWaalsContact C-N 3.31Å; L295-H297 PolarHBondContact O-N 3.07Å; L295-I298 WeakPolarHBondContact O-CB 3.14Å; L295-I298 PolarHBondContact O-N 3.29Å; L295-E299 PolarHBondContact O-N 3.18Å
296N34.5Very low37.1Very low92 Ų92108.3 Ų108.349%0.49256%0.561SS.*Hα-helixtrans-66.1-33.6172.8-76.4-12000112.3V292 E299 Q300V292-N296 PolarHBondContact O-N 3.24Å; N296-E299 PolarHBondContact O-N 3.3Å; N296-Q300 WeakPolarHBondContact O-CG 3.42Å; N296-Q300 PolarHBondContact O-N 3.39Å; N296-Q300 VanDerWaalsContact O-N 3.1Å
297H39.3Very low37.2Very low127 Ų127102.6 Ų102.659%0.58854%0.544SS*.Hα-helixtrans-69.2-34.6173.3-114.1-8.3000112.6S293 V294 L295 T301S293-H297 PolarHBondContact O-N 3.06Å; S293-H297 VanDerWaalsContact O-N 3.13Å; V294-H297 PolarHBondContact O-N 3.44Å; L295-H297 VanDerWaalsContact C-N 3.31Å; L295-H297 PolarHBondContact O-N 3.07Å; H297-T301 WeakPolarHBondContact O-CB 3.36Å; H297-T301 PolarHBondContact O-N 3.49Å; H297-T301 PolarHBondContact O-OG1 2.99Å
298I38.8Very low37.5Very low82 Ų8299.1 Ų99.142%0.42153%0.529SS..Hα-helixtrans-64.6-43.2173.1-69.6163.6000110.3V294 L295 T301 V302V294-I298 HydrophobicContact CG1-CD1 4.02Å; V294-I298 HydrophobicContact CG1-CG1 4.49Å; V294-I298 VanDerWaalsContact O-CG1 3.24Å; V294-I298 WeakPolarHBondContact O-CG1 3.5Å; V294-I298 PolarHBondContact O-N 3.24Å; L295-I298 WeakPolarHBondContact O-CB 3.14Å; L295-I298 PolarHBondContact O-N 3.29Å; I298-T301 VanDerWaalsContact CA-OG1 3.23Å; I298-T301 WeakPolarHBondContact CA-OG1 3.44Å; I298-T301 PolarHBondContact O-N 3.3Å; I298-T301 PolarHBondContact O-OG1 3.29Å; I298-T301 VanDerWaalsContact O-OG1 3.06Å; I298-V302 HydrophobicContact CG2-CG2 4.32Å; I298-V302 WeakPolarHBondContact O-CB 3.38Å; I298-V302 VanDerWaalsContact O-CG2 3.22Å; I298-V302 WeakPolarHBondContact O-CG2 3.46Å; I298-V302 PolarHBondContact O-N 2.96Å
299E38.4Very low37.3Very low132 Ų13295.9 Ų95.962%0.61752%0.517SS*.Hα-helixtrans-64.5-43178.4-132.9174.4-173.100112.2L295 N296 T301 V302 Q303L295-E299 PolarHBondContact O-N 3.18Å; N296-E299 PolarHBondContact O-N 3.3Å; E299-T301 PolarHBondContact O-N 2.95Å; E299-V302 PolarHBondContact O-N 3.41Å; E299-Q303 PolarHBondContact O-N 3.46Å
300Q34.9Very low37.3Very low127 Ų12793.7 Ų93.759%0.59350%0.504SS*.Hα-helixtrans-65.8-35.8173.6-72.8179.8-12.500112.9N296 S304N296-Q300 WeakPolarHBondContact O-CG 3.42Å; N296-Q300 PolarHBondContact O-N 3.39Å; N296-Q300 VanDerWaalsContact O-N 3.1Å; Q300-S304 VanDerWaalsContact O-CB 3.25Å; Q300-S304 WeakPolarHBondContact O-CB 3.3Å; Q300-S304 PolarHBondContact O-N 3.38Å
301T36.4Very low37.3Very low77 Ų7791.3 Ų91.347%0.47249%0.49SS..Hα-helixtrans-71.8-31.6174.231.50000112.5H297 I298 E299 Q305H297-T301 WeakPolarHBondContact O-CB 3.36Å; H297-T301 PolarHBondContact O-N 3.49Å; H297-T301 PolarHBondContact O-OG1 2.99Å; I298-T301 VanDerWaalsContact CA-OG1 3.23Å; I298-T301 WeakPolarHBondContact CA-OG1 3.44Å; I298-T301 PolarHBondContact O-N 3.3Å; I298-T301 PolarHBondContact O-OG1 3.29Å; I298-T301 VanDerWaalsContact O-OG1 3.06Å; E299-T301 PolarHBondContact O-N 2.95Å; T301-Q305 VanDerWaalsContact O-CB 3.23Å; T301-Q305 WeakPolarHBondContact O-CB 3.34Å; T301-Q305 VanDerWaalsContact O-CG 3.28Å; T301-Q305 WeakPolarHBondContact O-CG 3.38Å; T301-Q305 PolarHBondContact O-N 3.43Å
302V39.1Very low37.6Very low67 Ų6792.1 Ų92.141%0.40649%0.488SS..Hα-helixtrans-69.6-40.4174.31700000111.4I298 E299 Q305 N306I298-V302 HydrophobicContact CG2-CG2 4.32Å; I298-V302 WeakPolarHBondContact O-CB 3.38Å; I298-V302 VanDerWaalsContact O-CG2 3.22Å; I298-V302 WeakPolarHBondContact O-CG2 3.46Å; I298-V302 PolarHBondContact O-N 2.96Å; E299-V302 PolarHBondContact O-N 3.41Å; V302-Q305 PolarHBondContact O-N 3.25Å; V302-N306 PolarHBondContact O-N 3.07Å
303Q33.4Very low37.6Very low139 Ų13992.8 Ų92.865%0.6548%0.484SS*.Hα-helixtrans-69.4-41.2175.1-119.2158.8-12.800112.2E299 Q305 N306 D307E299-Q303 PolarHBondContact O-N 3.46Å; Q303-Q305 VanDerWaalsContact C-N 3.34Å; Q303-Q305 PolarHBondContact O-N 2.74Å; Q303-N306 PolarHBondContact O-N 3.13Å; Q303-D307 PolarHBondContact O-N 3.25Å
304S36Very low38.4Very low66 Ų6693.2 Ų93.246%0.46248%0.478SS..Hα-helixtrans-60.4-41.1169.8175.10000111.8Q300 N306 D307 V308Q300-S304 VanDerWaalsContact O-CB 3.25Å; Q300-S304 WeakPolarHBondContact O-CB 3.3Å; Q300-S304 PolarHBondContact O-N 3.38Å; S304-N306 PolarHBondContact O-N 2.96Å; S304-D307 PolarHBondContact O-N 3.44Å; S304-V308 VanDerWaalsContact O-CB 3.25Å; S304-V308 WeakPolarHBondContact O-CB 3.46Å; S304-V308 WeakPolarHBondContact O-CG2 3.15Å; S304-V308 PolarHBondContact O-N 2.99Å
305Q34.8Very low39.2Very low120 Ų12090.8 Ų90.856%0.56147%0.465SS*.Hα-helixtrans-65.1-35.5174.8-86.1-173.3-16.400112.8T301 V302 Q303 N309T301-Q305 VanDerWaalsContact O-CB 3.23Å; T301-Q305 WeakPolarHBondContact O-CB 3.34Å; T301-Q305 VanDerWaalsContact O-CG 3.28Å; T301-Q305 WeakPolarHBondContact O-CG 3.38Å; T301-Q305 PolarHBondContact O-N 3.43Å; V302-Q305 PolarHBondContact O-N 3.25Å; Q303-Q305 VanDerWaalsContact C-N 3.34Å; Q303-Q305 PolarHBondContact O-N 2.74Å; Q305-N309 WeakPolarHBondContact O-CB 3.15Å; Q305-N309 PolarHBondContact O-N 2.94Å; Q305-N309 PolarHBondContact O-ND2 3.35Å
306N33.1Very low40.6Very low89 Ų8985.6 Ų85.648%0.47644%0.439SS..Hα-helixtrans-68.1-42.9174.6-80.1-21.8000111.8V302 Q303 S304 N309 I310V302-N306 PolarHBondContact O-N 3.07Å; Q303-N306 PolarHBondContact O-N 3.13Å; S304-N306 PolarHBondContact O-N 2.96Å; N306-N309 PolarHBondContact O-N 3.35Å; N306-I310 VanDerWaalsContact O-CG1 3.26Å; N306-I310 WeakPolarHBondContact O-CG1 3.26Å; N306-I310 PolarHBondContact O-N 3Å
307D33.9Very low42.8Very low83 Ų8385 Ų8544%0.44444%0.435SS..Hα-helixtrans-66.7-37.4175.1-85.20.9000113Q303 S304 T311 K410Q303-D307 PolarHBondContact O-N 3.25Å; S304-D307 PolarHBondContact O-N 3.44Å; D307-T311 PolarHBondContact O-N 3.34Å; D307-T311 PolarHBondContact O-OG1 3.24Å; D307-K410 IonicContact OD2-NZ 3.6Å
308V42.7Very low44.9Very low54 Ų5481.5 Ų81.533%0.32742%0.42SS..Hα-helixtrans-70.3-33.6173.6172.10000111S304 T311 K312S304-V308 VanDerWaalsContact O-CB 3.25Å; S304-V308 WeakPolarHBondContact O-CB 3.46Å; S304-V308 WeakPolarHBondContact O-CG2 3.15Å; S304-V308 PolarHBondContact O-N 2.99Å; V308-T311 VanDerWaalsContact CA-OG1 3.31Å; V308-T311 WeakPolarHBondContact CA-OG1 3.27Å; V308-T311 PolarHBondContact O-OG1 2.81Å; V308-K312 HydrophobicContact CG1-CD 3.79Å; V308-K312 HydrophobicContact CG1-CG 4.32Å; V308-K312 WeakPolarHBondContact O-CB 3.47Å; V308-K312 VanDerWaalsContact O-CG 3.27Å; V308-K312 WeakPolarHBondContact O-CG 3.29Å; V308-K312 PolarHBondContact O-N 3.3Å
309N32.7Very low47.3Very low87 Ų8784.8 Ų84.847%0.46543%0.432SS..Hα-helixtrans-71-37.4175-82.2-26.4000112.1Q305 N306 Q313Q305-N309 WeakPolarHBondContact O-CB 3.15Å; Q305-N309 PolarHBondContact O-N 2.94Å; Q305-N309 PolarHBondContact O-ND2 3.35Å; N306-N309 PolarHBondContact O-N 3.35Å; N309-Q313 WeakPolarHBondContact O-CB 3.27Å; N309-Q313 PolarHBondContact O-N 3.17Å; N309-Q313 VanDerWaalsContact O-N 3.09Å
310I36.9Very low49.8Very low84 Ų8479.8 Ų79.843%0.43141%0.409SS..Hα-helixtrans-67.6-43.4175.6-68.6165.1000110.3N306 Q313 F314N306-I310 VanDerWaalsContact O-CG1 3.26Å; N306-I310 WeakPolarHBondContact O-CG1 3.26Å; N306-I310 PolarHBondContact O-N 3Å; I310-Q313 PolarHBondContact O-N 3.21Å; I310-F314 VanDerWaalsContact O-CD2 3.28Å; I310-F314 WeakPolarHBondContact O-CD2 3.28Å; I310-F314 WeakPolarHBondContact O-CE2 3.38Å
311T39.5Very low52.4Low35 Ų3573.8 Ų73.822%0.21538%0.381CS..Hα-helixtrans-71.6-32.6177.545.80000113.2D307 V308 Q313 K410 D412 I413D307-T311 PolarHBondContact O-N 3.34Å; D307-T311 PolarHBondContact O-OG1 3.24Å; V308-T311 VanDerWaalsContact CA-OG1 3.31Å; V308-T311 WeakPolarHBondContact CA-OG1 3.27Å; V308-T311 PolarHBondContact O-OG1 2.81Å; T311-Q313 VanDerWaalsContact C-N 3.32Å; T311-Q313 PolarHBondContact O-N 2.87Å; T311-K410 HydrophobicContact CG2-CD 4.31Å; T311-D412 HydrophobicContact CG2-CB 4.2Å; T311-I413 HydrophobicContact CG2-CG1 4.09Å
312K44Very low55.1Low125 Ų12570.7 Ų70.754%0.54336%0.363SS..Hα-helixtrans-79.6-8.2173.2-72.8179.4179.7174.90114.4V308 F314V308-K312 HydrophobicContact CG1-CD 3.79Å; V308-K312 HydrophobicContact CG1-CG 4.32Å; V308-K312 WeakPolarHBondContact O-CB 3.47Å; V308-K312 VanDerWaalsContact O-CG 3.27Å; V308-K312 WeakPolarHBondContact O-CG 3.29Å; V308-K312 PolarHBondContact O-N 3.3Å; K312-F314 VanDerWaalsContact C-N 3.34Å
313Q45.5Very low57.7Low118 Ų11871.9 Ų71.955%0.55137%0.366SS*.THydrogen-bonded Turntrans-75.1-24.2-179.6-125.8165.9-1700113.1N309 I310 T311 G315 R493N309-Q313 WeakPolarHBondContact O-CB 3.27Å; N309-Q313 PolarHBondContact O-N 3.17Å; N309-Q313 VanDerWaalsContact O-N 3.09Å; I310-Q313 PolarHBondContact O-N 3.21Å; T311-Q313 VanDerWaalsContact C-N 3.32Å; T311-Q313 PolarHBondContact O-N 2.87Å; Q313-G315 PolarHBondContact O-N 2.92Å; Q313-R493 PolarHBondContact O-NH2 3.48Å; Q313-R493 VanDerWaalsContact O-NH2 3.1Å
314F53.8Low60.7Low78 Ų7865.9 Ų65.934%0.34234%0.339SS..  trans-80.154.3-179.1-68.8-83000113.1I310 K312 I413 S416 N417 T420I310-F314 VanDerWaalsContact O-CD2 3.28Å; I310-F314 WeakPolarHBondContact O-CD2 3.28Å; I310-F314 WeakPolarHBondContact O-CE2 3.38Å; K312-F314 VanDerWaalsContact C-N 3.34Å; F314-I413 HydrophobicContact CE2-CG2 4.09Å; F314-I413 HydrophobicContact CZ-CG2 4.26Å; F314-S416 PolarHBondContact O-OG 3.35Å; F314-N417 WeakPolarHBondContact CD1-OD1 2.93Å; F314-T420 WeakPolarHBondContact O-CG2 3.47Å
315G60.6Low63.4Low13 Ų1362.9 Ų62.913%0.13432%0.317CS..  trans-73172.5165.600000111.7Q313 N317Q313-G315 PolarHBondContact O-N 2.92Å; G315-N317 PolarHBondContact O-N 3.41Å
316P65.5Low66.3Low3 Ų359.4 Ų59.42%0.01930%0.302CS..SBendtrans-50.9144.3173.425.3-36.8000110.9I318 W427 L484P316-I318 PolarHBondContact O-N 3.34Å; P316-W427 HydrophobicContact CB-CH2 3.75Å; P316-W427 HydrophobicContact CB-CZ3 3.9Å; P316-W427 HydrophobicContact CG-CH2 4.26Å; P316-L484 HydrophobicContact CG-CD2 4.18Å
317N79.3Confident69.3Low79 Ų7957.8 Ų57.842%0.42229%0.29SS..  trans-57.2110.1179.9-177.2-17.7000108.9G315 F319 L320 S321G315-N317 PolarHBondContact O-N 3.41Å; N317-F319 PolarHBondContact O-N 2.71Å; N317-F319 WeakPolarHBondContact OD1-CB 3.5Å; N317-F319 PolarHBondContact OD1-N 3.13Å; N317-L320 HydrophobicContact CB-CB 4.1Å; N317-L320 PolarHBondContact O-N 3.31Å; N317-L320 PolarHBondContact OD1-N 3.32Å; N317-S321 PolarHBondContact O-N 3.45Å; N317-S321 PolarHBondContact O-OG 2.98Å
318I83.7Confident72.3Confident54 Ų5454 Ų5428%0.27727%0.269SS..Hα-helixtrans-58.7-40.1-175.6-61.4165.7000109.7P316 S321 C322 R493 L496P316-I318 PolarHBondContact O-N 3.34Å; I318-S321 PolarHBondContact O-N 3.34Å; I318-C322 WeakPolarHBondContact O-CB 3.41Å; I318-C322 PolarHBondContact O-N 3.36Å; I318-C322 PolarHBondContact O-SG 3.1Å; I318-R493 HydrophobicContact CD1-CG 3.73Å; I318-R493 HydrophobicContact CG1-CG 4.09Å; I318-L496 HydrophobicContact CG2-CD2 3.61Å
319F88.5Confident74.8Confident150 Ų15051.6 Ų51.666%0.65826%0.255SS*.Hα-helixtrans-61.4-48.8179.4177.8-96.3000111.5N317 S321 C322 L323N317-F319 PolarHBondContact O-N 2.71Å; N317-F319 WeakPolarHBondContact OD1-CB 3.5Å; N317-F319 PolarHBondContact OD1-N 3.13Å; F319-S321 VanDerWaalsContact C-N 3.34Å; F319-S321 PolarHBondContact O-N 2.9Å; F319-C322 PolarHBondContact O-N 3.21Å; F319-L323 WeakPolarHBondContact O-CB 3.31Å; F319-L323 PolarHBondContact O-N 3.42Å
320L91.4Very high77.8Confident28 Ų2848.3 Ų48.315%0.14724%0.24CC..Hα-helixtrans-62.7-42.9176.8179.460.7000111.3N317 C322 L323 L324 Q424 I428N317-L320 HydrophobicContact CB-CB 4.1Å; N317-L320 PolarHBondContact O-N 3.31Å; N317-L320 PolarHBondContact OD1-N 3.32Å; L320-C322 VanDerWaalsContact C-N 3.34Å; L320-C322 PolarHBondContact O-N 3.12Å; L320-L323 PolarHBondContact O-N 3.3Å; L320-L324 HydrophobicContact CD1-CD1 4.28Å; L320-L324 HydrophobicContact CD1-CG 4.13Å; L320-L324 HydrophobicContact CG-CD1 4.27Å; L320-L324 HydrophobicContact CG-CG 4.47Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 2.97Å; L320-Q424 HydrophobicContact CD2-CB 3.77Å; L320-Q424 HydrophobicContact CD2-CG 3.72Å; L320-I428 HydrophobicContact CD1-CG1 4.44Å; L320-I428 HydrophobicContact CD2-CD1 4.08Å; L320-I428 HydrophobicContact CD2-CG1 4.43Å
321S90Very high80.7Confident0 Ų044.9 Ų44.90%022%0.224CC..Hα-helixtrans-59.9-45.4178.2-51.60000111.2N317 I318 F319 L324 I325N317-S321 PolarHBondContact O-N 3.45Å; N317-S321 PolarHBondContact O-OG 2.98Å; I318-S321 PolarHBondContact O-N 3.34Å; F319-S321 VanDerWaalsContact C-N 3.34Å; F319-S321 PolarHBondContact O-N 2.9Å; S321-L324 PolarHBondContact O-N 3.28Å; S321-I325 WeakPolarHBondContact O-CB 3.41Å; S321-I325 VanDerWaalsContact O-CG1 3.22Å; S321-I325 WeakPolarHBondContact O-CG1 3.5Å; S321-I325 PolarHBondContact O-N 3.35Å
322C91.9Very high83.3Confident13 Ų1343.6 Ų43.69%0.08822%0.215CC..Hα-helixtrans-64.3-42.7175.8-72.50000112.4I318 F319 L320 L324 I325 I326 S500I318-C322 WeakPolarHBondContact O-CB 3.41Å; I318-C322 PolarHBondContact O-N 3.36Å; I318-C322 PolarHBondContact O-SG 3.1Å; F319-C322 PolarHBondContact O-N 3.21Å; L320-C322 VanDerWaalsContact C-N 3.34Å; L320-C322 PolarHBondContact O-N 3.12Å; C322-L324 PolarHBondContact O-N 3.25Å; C322-I325 PolarHBondContact O-N 2.66Å; C322-I326 VanDerWaalsContact O-CG1 3.27Å; C322-I326 WeakPolarHBondContact O-CG1 3.46Å; C322-I326 PolarHBondContact O-N 3.49Å; C322-S500 WeakPolarHBondContact CB-OG 3.17Å; C322-S500 PolarHBondContact SG-OG 3.23Å
323L94.7Very high85.6Confident92 Ų9240.6 Ų40.648%0.48220%0.201SC..Hα-helixtrans-60.2-46.3177-173.179.5000111.4F319 L320 I326 Y327F319-L323 WeakPolarHBondContact O-CB 3.31Å; F319-L323 PolarHBondContact O-N 3.42Å; L320-L323 PolarHBondContact O-N 3.3Å; L323-I326 PolarHBondContact O-N 3.35Å; L323-Y327 PolarHBondContact O-N 3.27Å
324L95.6Very high87.9Confident13 Ų1335 Ų357%0.06818%0.175CC..Hα-helixtrans-66.2-40.6177.9-66.8-177.1000111.7L320 S321 C322 I326 Y327 I328 W427 S431 I480L320-L324 HydrophobicContact CD1-CD1 4.28Å; L320-L324 HydrophobicContact CD1-CG 4.13Å; L320-L324 HydrophobicContact CG-CD1 4.27Å; L320-L324 HydrophobicContact CG-CG 4.47Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 2.97Å; S321-L324 PolarHBondContact O-N 3.28Å; C322-L324 PolarHBondContact O-N 3.25Å; L324-I326 PolarHBondContact O-N 3.47Å; L324-Y327 PolarHBondContact O-N 3.4Å; L324-I328 VanDerWaalsContact O-CD1 3.3Å; L324-I328 WeakPolarHBondContact O-CD1 3.43Å; L324-I328 WeakPolarHBondContact O-CG1 3.36Å; L324-I328 PolarHBondContact O-N 2.98Å; L324-W427 HydrophobicContact CD1-CB 3.67Å; L324-W427 HydrophobicContact CD1-CE3 4.37Å; L324-S431 WeakPolarHBondContact CD2-OG 3.18Å; L324-I480 HydrophobicContact CB-CD1 3.74Å; L324-I480 HydrophobicContact CD1-CD1 4.15Å
325I94Very high90Very high3 Ų332.8 Ų32.82%0.01517%0.165CC..Hα-helixtrans-60.8-44173.3-72.9168.2000111.1S321 C322 Y327 I328 S329 I480 L484 A497 T501S321-I325 WeakPolarHBondContact O-CB 3.41Å; S321-I325 VanDerWaalsContact O-CG1 3.22Å; S321-I325 WeakPolarHBondContact O-CG1 3.5Å; S321-I325 PolarHBondContact O-N 3.35Å; C322-I325 PolarHBondContact O-N 2.66Å; I325-Y327 VanDerWaalsContact C-N 3.33Å; I325-Y327 PolarHBondContact O-N 3.14Å; I325-I328 PolarHBondContact O-N 3.32Å; I325-S329 VanDerWaalsContact O-CB 3.27Å; I325-S329 WeakPolarHBondContact O-CB 3.42Å; I325-S329 PolarHBondContact O-N 3.49Å; I325-S329 PolarHBondContact O-OG 3.28Å; I325-S329 VanDerWaalsContact O-OG 3.05Å; I325-I480 HydrophobicContact CD1-CG2 3.77Å; I325-I480 HydrophobicContact CG1-CG2 3.97Å; I325-L484 HydrophobicContact CD1-CD1 4.03Å; I325-A497 HydrophobicContact CD1-CB 3.66Å; I325-T501 WeakPolarHBondContact CG2-OG1 3.1Å
326I95.7Very high91.7Very high46 Ų4632.2 Ų32.224%0.23616%0.159CC..Hα-helixtrans-59.2-46.8176.4-71.9165.2000110.1C322 L323 L324 S329 A330 S500 F503C322-I326 VanDerWaalsContact O-CG1 3.27Å; C322-I326 WeakPolarHBondContact O-CG1 3.46Å; C322-I326 PolarHBondContact O-N 3.49Å; L323-I326 PolarHBondContact O-N 3.35Å; L324-I326 PolarHBondContact O-N 3.47Å; I326-S329 PolarHBondContact O-N 2.93Å; I326-A330 WeakPolarHBondContact O-CB 3.23Å; I326-A330 PolarHBondContact O-N 3.39Å; I326-S500 WeakPolarHBondContact CG1-O 3.39Å; I326-F503 HydrophobicContact CD1-CD1 4.18Å; I326-F503 HydrophobicContact CG1-CD1 4.29Å; I326-F503 HydrophobicContact CG2-CD1 4.43Å
327Y96.5Very high93.2Very high56 Ų5632.6 Ų32.622%0.2216%0.161CC..Hα-helixtrans-59.8-49.6177.8165-109.3000112.6L323 L324 I325 S329 S331 S434 L435 F473L323-Y327 PolarHBondContact O-N 3.27Å; L324-Y327 PolarHBondContact O-N 3.4Å; I325-Y327 VanDerWaalsContact C-N 3.33Å; I325-Y327 PolarHBondContact O-N 3.14Å; Y327-S329 PolarHBondContact O-N 3.34Å; Y327-S331 WeakPolarHBondContact O-CB 3.35Å; Y327-S331 PolarHBondContact O-N 3.45Å; Y327-S331 PolarHBondContact O-OG 2.86Å; Y327-S434 PolarHBondContact OH-OG 3.15Å; Y327-L435 HydrophobicContact CE2-CD2 4Å; Y327-L435 WeakPolarHBondContact OH-CD2 3.36Å; Y327-F473 AromaticContact CE1-CE1 3.77Å; Y327-F473 HydrophobicContact CE1-CE1 3.77Å; Y327-F473 HydrophobicContact CE1-CZ 4.33Å
328I96.1Very high94Very high2 Ų228.9 Ų28.91%0.0114%0.142CC..Hα-helixtrans-60.5-48.6178.9-64.9157.8000109.6L324 I325 S331 N332 F473 L476 R477 I480L324-I328 VanDerWaalsContact O-CD1 3.3Å; L324-I328 WeakPolarHBondContact O-CD1 3.43Å; L324-I328 WeakPolarHBondContact O-CG1 3.36Å; L324-I328 PolarHBondContact O-N 2.98Å; I325-I328 PolarHBondContact O-N 3.32Å; I328-S331 PolarHBondContact O-N 3.29Å; I328-N332 HydrophobicContact CG2-CB 4.5Å; I328-N332 WeakPolarHBondContact O-CB 3.2Å; I328-N332 PolarHBondContact O-N 2.9Å; I328-F473 HydrophobicContact CG1-CD1 4.38Å; I328-F473 HydrophobicContact CG2-CB 4.09Å; I328-F473 HydrophobicContact CG2-CD1 4.45Å; I328-F473 HydrophobicContact CG2-CG 4.28Å; I328-L476 HydrophobicContact CD1-CB 4.05Å; I328-L476 HydrophobicContact CD1-CD2 3.45Å; I328-L476 VanDerWaalsContact CD1-CD2 3.45Å; I328-L476 HydrophobicContact CD1-CG 3.51Å; I328-L476 HydrophobicContact CG1-CD2 3.73Å; I328-L476 HydrophobicContact CG1-CG 4.3Å; I328-R477 HydrophobicContact CG2-CB 4.45Å; I328-I480 HydrophobicContact CD1-CD1 4.03Å
329S94.9Very high94.6Very high4 Ų426.3 Ų26.33%0.02813%0.128CC..Hα-helixtrans-70.4-39.5-175.3-63.20000112.5I325 I326 Y327 S331 Y333 G334 T501 A505I325-S329 VanDerWaalsContact O-CB 3.27Å; I325-S329 WeakPolarHBondContact O-CB 3.42Å; I325-S329 PolarHBondContact O-N 3.49Å; I325-S329 PolarHBondContact O-OG 3.28Å; I325-S329 VanDerWaalsContact O-OG 3.05Å; I326-S329 PolarHBondContact O-N 2.93Å; Y327-S329 PolarHBondContact O-N 3.34Å; S329-S331 VanDerWaalsContact C-N 3.27Å; S329-S331 PolarHBondContact O-N 3.5Å; S329-Y333 PolarHBondContact O-N 3.5Å; S329-Y333 VanDerWaalsContact O-N 3.1Å; S329-G334 PolarHBondContact O-N 2.85Å; S329-T501 VanDerWaalsContact CB-O 3.28Å; S329-T501 WeakPolarHBondContact CB-O 3.34Å; S329-T501 WeakPolarHBondContact OG-CG2 3.47Å; S329-A505 WeakPolarHBondContact O-CA 3.49Å
330A96.7Very high95Very high18 Ų1819.9 Ų19.915%0.14910%0.101CC..Iπ-helixtrans-60.9-38.5173.400000112I326 G334 F335 G504 G508I326-A330 WeakPolarHBondContact O-CB 3.23Å; I326-A330 PolarHBondContact O-N 3.39Å; A330-G334 WeakPolarHBondContact O-CA 3.38Å; A330-F335 PolarHBondContact O-N 3.45Å; A330-G504 WeakPolarHBondContact CA-O 3.25Å; A330-G504 VanDerWaalsContact CB-O 3.26Å; A330-G504 WeakPolarHBondContact CB-O 3.39Å; A330-G504 PolarHBondContact N-O 2.91Å; A330-G508 WeakPolarHBondContact O-CA 3.36Å
331S96.7Very high95.2Very high13 Ų1318.6 Ų18.69%0.0919%0.094CC..Iπ-helixtrans-78.4-57.4179.7-54.20000111.7Y327 I328 S329 L336Y327-S331 WeakPolarHBondContact O-CB 3.35Å; Y327-S331 PolarHBondContact O-N 3.45Å; Y327-S331 PolarHBondContact O-OG 2.86Å; I328-S331 PolarHBondContact O-N 3.29Å; S329-S331 VanDerWaalsContact C-N 3.27Å; S329-S331 PolarHBondContact O-N 3.5Å; S331-L336 WeakPolarHBondContact O-CB 3.21Å; S331-L336 VanDerWaalsContact O-CG 3.27Å; S331-L336 WeakPolarHBondContact O-CG 3.49Å; S331-L336 PolarHBondContact O-N 3.44Å
332N94.5Very high95.6Very high8 Ų819.3 Ų19.34%0.04310%0.097CC..Iπ-helixtrans-78.6-30.4-167.1-166.344.5000114.9I328 P337 R470 F473I328-N332 HydrophobicContact CG2-CB 4.5Å; I328-N332 WeakPolarHBondContact O-CB 3.2Å; I328-N332 PolarHBondContact O-N 2.9Å; N332-P337 WeakPolarHBondContact O-CG 3.45Å; N332-R470 PolarHBondContact ND2-NH1 3.4Å; N332-R470 WeakPolarHBondContact OD1-CD 3.04Å; N332-R470 PolarHBondContact OD1-NH1 2.9Å; N332-F473 HydrophobicContact CB-CB 4.35Å; N332-F473 HydrophobicContact CB-CD2 3.56Å; N332-F473 HydrophobicContact CB-CE2 4.16Å; N332-F473 HydrophobicContact CB-CG 4.27Å
333Y92.2Very high95.8Very high61 Ų6118.7 Ų18.724%0.2399%0.093CC..Iπ-helixtrans-112.7-5.7-177.9-57.7-62.2000112.9S329S329-Y333 PolarHBondContact O-N 3.5Å; S329-Y333 VanDerWaalsContact O-N 3.1Å
334G93.7Very high95.8Very high0 Ų014.3 Ų14.30%07%0.07CC..Iπ-helixtrans-119.1-84.2-177.700000112.6I54 S329 A330 G508 A509I54-G334 WeakPolarHBondContact CD1-O 3.21Å; S329-G334 PolarHBondContact O-N 2.85Å; A330-G334 WeakPolarHBondContact O-CA 3.38Å; G334-G508 VanDerWaalsContact C-C 3.49Å; G334-G508 CarbonylContact C-O 3.58Å; G334-G508 VanDerWaalsContact CA-C 3.49Å; G334-A509 VanDerWaalsContact CA-N 3.33Å
335F97.2Very high95.7Very high32 Ų3214.2 Ų14.214%0.147%0.071CC..Iπ-helixtrans-72.2-48-166.1171.9-116000113.7A330 A338 I339 V442 G508 L511 L515A330-F335 PolarHBondContact O-N 3.45Å; F335-A338 WeakPolarHBondContact O-CB 3.37Å; F335-A338 PolarHBondContact O-N 3.46Å; F335-I339 HydrophobicContact CE1-CD1 4.07Å; F335-I339 HydrophobicContact CE2-CG2 4.07Å; F335-I339 HydrophobicContact CZ-CD1 3.93Å; F335-I339 HydrophobicContact CZ-CG2 4.44Å; F335-V442 HydrophobicContact CE1-CG2 3.59Å; F335-V442 HydrophobicContact CZ-CG2 4.02Å; F335-G508 WeakPolarHBondContact CA-O 3.31Å; F335-G508 PolarHBondContact N-O 3.18Å; F335-L511 HydrophobicContact CD2-CD2 4.33Å; F335-L511 HydrophobicContact CD2-CG 4.31Å; F335-L515 HydrophobicContact CD2-CD1 4.41Å; F335-L515 HydrophobicContact CE2-CD1 3.7Å
336L97.4Very high95.6Very high1 Ų114.4 Ų14.41%0.0057%0.073CC..Hα-helixtrans-66.9-47.7-171.8-63.8174.7000112.9S331 A338 I339 Q340 V438 V441 V442 W466 I469 F473S331-L336 WeakPolarHBondContact O-CB 3.21Å; S331-L336 VanDerWaalsContact O-CG 3.27Å; S331-L336 WeakPolarHBondContact O-CG 3.49Å; S331-L336 PolarHBondContact O-N 3.44Å; L336-A338 PolarHBondContact O-N 3.05Å; L336-A338 VanDerWaalsContact O-N 3.11Å; L336-I339 HydrophobicContact CD2-CD1 4.23Å; L336-I339 WeakPolarHBondContact O-CG1 3.26Å; L336-I339 PolarHBondContact O-N 3.29Å; L336-Q340 PolarHBondContact O-N 3.33Å; L336-Q340 VanDerWaalsContact O-N 3.14Å; L336-V438 HydrophobicContact CD1-CG2 3.91Å; L336-V438 HydrophobicContact CD2-CG1 4.27Å; L336-V441 HydrophobicContact CD2-CG2 3.95Å; L336-V442 HydrophobicContact CD2-CG2 4.39Å; L336-W466 HydrophobicContact CB-CH2 3.73Å; L336-W466 HydrophobicContact CB-CZ3 4.02Å; L336-W466 WeakPolarHBondContact O-CH2 3.49Å; L336-I469 HydrophobicContact CD1-CD1 4.45Å; L336-I469 HydrophobicContact CD1-CG2 3.74Å; L336-F473 HydrophobicContact CD1-CE2 3.77Å
337P95.6Very high95.4Very high11 Ų1114.2 Ų14.27%0.0717%0.069CC..Hα-helixtrans-60.1-27179.2-20.833.1000112.5W33 P50 I54 N332 I339 Q340W33-P337 HydrophobicContact CH2-CB 4.33Å; W33-P337 HydrophobicContact CZ2-CB 3.77Å; P50-P337 VanDerWaalsContact CB-O 3.24Å; P50-P337 WeakPolarHBondContact CB-O 3.22Å; I54-P337 VanDerWaalsContact CD1-C 3.47Å; I54-P337 HydrophobicContact CD1-CB 3.64Å; I54-P337 HydrophobicContact CG1-CB 4.3Å; N332-P337 WeakPolarHBondContact O-CG 3.45Å; P337-I339 VanDerWaalsContact C-N 3.26Å; P337-I339 PolarHBondContact O-N 3.31Å; P337-Q340 PolarHBondContact O-N 2.85Å
338A96.7Very high95.1Very high1 Ų111.9 Ų11.91%0.0086%0.062CC..Hα-helixtrans-66-29.4177.900000112.7A51 I54 F335 L336 V516A51-A338 HydrophobicContact CB-CB 4.08Å; I54-A338 VanDerWaalsContact CD1-CA 3.43Å; I54-A338 HydrophobicContact CD1-CB 3.63Å; F335-A338 WeakPolarHBondContact O-CB 3.37Å; F335-A338 PolarHBondContact O-N 3.46Å; L336-A338 PolarHBondContact O-N 3.05Å; L336-A338 VanDerWaalsContact O-N 3.11Å; A338-V516 HydrophobicContact CB-CG2 4.4Å
339I96.7Very high94.9Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-104.5-2.3-177.466.4164.1000113.3F335 L336 P337 S341 Y342 S343 V442 A445 V516 F522F335-I339 HydrophobicContact CE1-CD1 4.07Å; F335-I339 HydrophobicContact CE2-CG2 4.07Å; F335-I339 HydrophobicContact CZ-CD1 3.93Å; F335-I339 HydrophobicContact CZ-CG2 4.44Å; L336-I339 HydrophobicContact CD2-CD1 4.23Å; L336-I339 WeakPolarHBondContact O-CG1 3.26Å; L336-I339 PolarHBondContact O-N 3.29Å; P337-I339 VanDerWaalsContact C-N 3.26Å; P337-I339 PolarHBondContact O-N 3.31Å; I339-S341 VanDerWaalsContact C-N 3.33Å; I339-S341 PolarHBondContact O-N 2.7Å; I339-Y342 WeakPolarHBondContact O-CB 3.37Å; I339-Y342 PolarHBondContact O-N 3.4Å; I339-S343 PolarHBondContact O-N 3.01Å; I339-S343 VanDerWaalsContact O-N 3.14Å; I339-V442 HydrophobicContact CD1-CG2 3.84Å; I339-A445 HydrophobicContact CB-CB 4.14Å; I339-A445 HydrophobicContact CD1-CB 4.03Å; I339-A445 HydrophobicContact CG1-CB 4.49Å; I339-V516 HydrophobicContact CG2-CG2 3.83Å; I339-F522 HydrophobicContact CB-CE2 4.42Å; I339-F522 HydrophobicContact CG2-CD2 3.91Å; I339-F522 HydrophobicContact CG2-CE2 3.4Å; I339-F522 VanDerWaalsContact CG2-CE2 3.4Å; I339-F522 HydrophobicContact CG2-CZ 3.9Å
340Q96.9Very high94.9Very high16 Ų1616.6 Ų16.68%0.0759%0.088CC..Hα-helixtrans-59.6-43-171.5-172.3172.523.300112.6L336 P337 Y342 S343 C344 Y352 W466L336-Q340 PolarHBondContact O-N 3.33Å; L336-Q340 VanDerWaalsContact O-N 3.14Å; P337-Q340 PolarHBondContact O-N 2.85Å; Q340-Y342 VanDerWaalsContact C-N 3.31Å; Q340-Y342 PolarHBondContact O-N 2.94Å; Q340-S343 PolarHBondContact O-N 3.26Å; Q340-S343 VanDerWaalsContact O-N 3.15Å; Q340-S343 PolarHBondContact O-OG 3.03Å; Q340-C344 PolarHBondContact O-N 3.06Å; Q340-C344 VanDerWaalsContact O-N 3.13Å; Q340-Y352 HydrophobicContact CB-CE2 4.39Å; Q340-Y352 HydrophobicContact CG-CD2 4.43Å; Q340-Y352 HydrophobicContact CG-CE2 3.83Å; Q340-W466 HydrophobicContact CB-CH2 3.67Å; Q340-W466 HydrophobicContact CB-CZ2 3.63Å; Q340-W466 HydrophobicContact CB-CZ3 4.39Å; Q340-W466 HydrophobicContact CG-CD2 4.06Å; Q340-W466 HydrophobicContact CG-CE3 4.3Å; Q340-W466 HydrophobicContact CG-CH2 3.75Å; Q340-W466 HydrophobicContact CG-CZ2 3.52Å; Q340-W466 HydrophobicContact CG-CZ3 4.15Å
341S96.5Very high94.8Very high0 Ų016.2 Ų16.20%08%0.084CC..Hα-helixtrans-52-47.8173.251.30000111.7W47 I339 S343 C344 A345W47-S341 WeakPolarHBondContact O-CB 3.25Å; W47-S341 PolarHBondContact O-OG 3.34Å; I339-S341 VanDerWaalsContact C-N 3.33Å; I339-S341 PolarHBondContact O-N 2.7Å; S341-S343 PolarHBondContact O-N 3.15Å; S341-C344 PolarHBondContact O-N 3.42Å; S341-A345 WeakPolarHBondContact O-CA 3.48Å; S341-A345 WeakPolarHBondContact O-CB 3.07Å; S341-A345 PolarHBondContact O-N 2.86Å
342Y96.8Very high94.7Very high15 Ų1515.7 Ų15.76%0.0598%0.08CC..Hα-helixtrans-67.6-32-179.9-59.4-86.9000113.5W47 G48 I339 Q340 S448 V516 F522W47-Y342 HydrophobicContact CB-CD1 4.46Å; W47-Y342 HydrophobicContact CB-CE1 3.99Å; W47-Y342 HydrophobicContact CB-CE2 4.19Å; W47-Y342 AromaticContact CE3-CD1 3.73Å; W47-Y342 HydrophobicContact CE3-CD1 3.73Å; W47-Y342 HydrophobicContact CE3-CE1 4.19Å; W47-Y342 HydrophobicContact CE3-CG 4.21Å; W47-Y342 HydrophobicContact CZ3-CD1 4.44Å; W47-Y342 WeakPolarHBondContact O-CE2 3.47Å; G48-Y342 PolarHBondContact N-OH 3.43Å; I339-Y342 WeakPolarHBondContact O-CB 3.37Å; I339-Y342 PolarHBondContact O-N 3.4Å; Q340-Y342 VanDerWaalsContact C-N 3.31Å; Q340-Y342 PolarHBondContact O-N 2.94Å; Y342-S448 WeakPolarHBondContact O-CB 3.46Å; Y342-V516 HydrophobicContact CE2-CG1 3.61Å; Y342-V516 HydrophobicContact CE2-CG2 4.26Å; Y342-V516 WeakPolarHBondContact OH-CG1 3.35Å; Y342-F522 HydrophobicContact CD1-CB 3.36Å; Y342-F522 HydrophobicContact CD2-CB 3.99Å; Y342-F522 HydrophobicContact CE1-CB 3.72Å; Y342-F522 VanDerWaalsContact CE1-O 3.24Å; Y342-F522 WeakPolarHBondContact CE1-O 3.46Å; Y342-F522 HydrophobicContact CE2-CB 4.32Å; Y342-F522 HydrophobicContact CG-CB 3.49Å; Y342-F522 VanDerWaalsContact CG-CB 3.49Å; Y342-F522 HydrophobicContact CG-CG 4.29Å
343S95.9Very high94.8Very high1 Ų115.6 Ų15.61%0.0078%0.079CC..Hα-helixtrans-77-26.8178.868.60000114.2I339 Q340 S341 W466I339-S343 PolarHBondContact O-N 3.01Å; I339-S343 VanDerWaalsContact O-N 3.14Å; Q340-S343 PolarHBondContact O-N 3.26Å; Q340-S343 VanDerWaalsContact O-N 3.15Å; Q340-S343 PolarHBondContact O-OG 3.03Å; S341-S343 PolarHBondContact O-N 3.15Å; S343-W466 WeakPolarHBondContact OG-CZ2 3.37Å; S343-W466 PolarHBondContact OG-NE1 3.35Å
344C95.6Very high95.1Very high0 Ų015.1 Ų15.10%08%0.08CC..Hα-helixtrans-117.4-43.2-171.9-63.40000114.1Q340 S341 A346 Y347 T351 Y352 A355 W466Q340-C344 PolarHBondContact O-N 3.06Å; Q340-C344 VanDerWaalsContact O-N 3.13Å; S341-C344 PolarHBondContact O-N 3.42Å; C344-A346 PolarHBondContact O-N 2.76Å; C344-Y347 WeakPolarHBondContact O-CB 3.41Å; C344-Y347 PolarHBondContact O-N 3.05Å; C344-T351 HydrophobicContact CB-CG2 4.44Å; C344-Y352 HydrophobicContact CB-CD2 3.96Å; C344-Y352 HydrophobicContact CB-CG 4.26Å; C344-A355 HydrophobicContact CB-CB 4.33Å; C344-A355 VanDerWaalsContact SG-CB 3.55Å; C344-W466 PolarHBondContact SG-NE1 3.02Å
345A93.5Very high95.3Very high11 Ų1115.1 Ų15.19%0.0918%0.08CC..G310 helixtrans-67.5-19.6-175.100000112.4W47 S341 Y347 G348 Y352W47-A345 HydrophobicContact CD2-CB 4.03Å; W47-A345 HydrophobicContact CE3-CB 4.34Å; W47-A345 VanDerWaalsContact CH2-C 3.42Å; W47-A345 HydrophobicContact CH2-CB 3.88Å; W47-A345 HydrophobicContact CZ2-CB 3.46Å; W47-A345 VanDerWaalsContact CZ2-CB 3.46Å; W47-A345 HydrophobicContact CZ3-CB 4.26Å; S341-A345 WeakPolarHBondContact O-CA 3.48Å; S341-A345 WeakPolarHBondContact O-CB 3.07Å; S341-A345 PolarHBondContact O-N 2.86Å; A345-Y347 PolarHBondContact O-N 2.94Å; A345-G348 PolarHBondContact O-N 3.45Å; A345-Y352 HydrophobicContact CB-CD1 3.93Å; A345-Y352 HydrophobicContact CB-CG 4.25Å
346A91.7Very high95.2Very high7 Ų714 Ų146%0.0588%0.077CC..G310 helixtrans-64.3-28.1171.800000113.4W47 C344 P451W47-A346 HydrophobicContact CH2-CB 3.95Å; W47-A346 VanDerWaalsContact CH2-N 3.28Å; W47-A346 HydrophobicContact CZ3-CB 4.07Å; C344-A346 PolarHBondContact O-N 2.76Å; A346-P451 HydrophobicContact CB-CB 4.44Å; A346-P451 HydrophobicContact CB-CG 3.84Å
347Y91.9Very high95.2Very high41 Ų4114 Ų1416%0.1618%0.076CC..G310 helixtrans-84-10.5171.8-74.3-67.2000113.6C344 A345 L444 P451 P452 G458 A462C344-Y347 WeakPolarHBondContact O-CB 3.41Å; C344-Y347 PolarHBondContact O-N 3.05Å; A345-Y347 PolarHBondContact O-N 2.94Å; Y347-L444 HydrophobicContact CE2-CD1 4.36Å; Y347-L444 HydrophobicContact CE2-CD2 4.09Å; Y347-P451 HydrophobicContact CD1-CB 4.45Å; Y347-P451 HydrophobicContact CD1-CG 3.89Å; Y347-P451 HydrophobicContact CD2-CB 4.34Å; Y347-P451 HydrophobicContact CD2-CG 4.31Å; Y347-P451 HydrophobicContact CE1-CB 3.88Å; Y347-P451 HydrophobicContact CE1-CG 3.72Å; Y347-P451 HydrophobicContact CE2-CB 3.78Å; Y347-P451 HydrophobicContact CE2-CG 4.18Å; Y347-P451 HydrophobicContact CG-CG 4.17Å; Y347-P452 PolarHBondContact OH-O 3.29Å; Y347-G458 WeakPolarHBondContact CE2-O 3.43Å; Y347-G458 VanDerWaalsContact CZ-C 3.47Å; Y347-A462 HydrophobicContact CD2-CB 4.1Å; Y347-A462 HydrophobicContact CE2-CB 4.11Å
348G90.6Very high95.3Very high7 Ų716.1 Ų16.17%0.0729%0.087CC..  trans128.6159.7-179.400000113.4E186 A345 L350 T351 Y352E186-G348 WeakPolarHBondContact OE2-CA 3.26Å; A345-G348 PolarHBondContact O-N 3.45Å; G348-L350 VanDerWaalsContact C-N 3.28Å; G348-L350 PolarHBondContact O-N 3.32Å; G348-T351 PolarHBondContact O-N 2.93Å; G348-Y352 PolarHBondContact O-N 3.07Å
349S91.6Very high95.3Very high16 Ų1616.2 Ų16.211%0.1129%0.087CC..Hα-helixtrans-61.6-38.2-179.1-67.70000111.7E186 T351 Y352 H353E186-S349 PolarHBondContact OE1-N 2.98Å; E186-S349 PolarHBondContact OE2-N 3.43Å; S349-T351 VanDerWaalsContact C-N 3.34Å; S349-T351 PolarHBondContact O-N 3.32Å; S349-Y352 PolarHBondContact O-N 3.42Å; S349-H353 WeakPolarHBondContact O-CB 3.33Å; S349-H353 PolarHBondContact O-N 3.37Å
350L93.6Very high95.2Very high90 Ų9016.5 Ų16.547%0.4719%0.09SC..Hα-helixtrans-63.6-39.2176.8-178.962.4000112.2E186 G348 Y352 H353 L354E186-L350 PolarHBondContact OE1-N 3.05Å; G348-L350 VanDerWaalsContact C-N 3.28Å; G348-L350 PolarHBondContact O-N 3.32Å; L350-Y352 VanDerWaalsContact C-N 3.34Å; L350-Y352 PolarHBondContact O-N 2.63Å; L350-H353 PolarHBondContact O-N 3.33Å; L350-L354 HydrophobicContact CD1-CD1 4.05Å; L350-L354 HydrophobicContact CD1-CG 4.05Å; L350-L354 HydrophobicContact CG-CD1 3.99Å; L350-L354 HydrophobicContact CG-CG 4.37Å; L350-L354 WeakPolarHBondContact O-CB 3.19Å; L350-L354 WeakPolarHBondContact O-CG 3.37Å; L350-L354 PolarHBondContact O-N 2.97Å
351T95Very high95.1Very high10 Ų1017 Ų176%0.0619%0.093CC..Hα-helixtrans-63.3-44.2178.6-55.50000110.5C344 G348 S349 A355 S459 A462 I463C344-T351 HydrophobicContact CB-CG2 4.44Å; G348-T351 PolarHBondContact O-N 2.93Å; S349-T351 VanDerWaalsContact C-N 3.34Å; S349-T351 PolarHBondContact O-N 3.32Å; T351-A355 VanDerWaalsContact O-CB 3.29Å; T351-A355 WeakPolarHBondContact O-CB 3.36Å; T351-A355 PolarHBondContact O-N 3.26Å; T351-S459 WeakPolarHBondContact OG1-CB 3.45Å; T351-S459 PolarHBondContact OG1-OG 3.01Å; T351-A462 HydrophobicContact CG2-CB 4.46Å; T351-I463 HydrophobicContact CG2-CD1 4.17Å; T351-I463 HydrophobicContact CG2-CG1 4Å
352Y96Very high95.1Very high2 Ų219 Ų191%0.00811%0.107CC..Hα-helixtrans-63.8-44.1176.8-172.3-160.5000112.2L36 P37 V40 Q340 C344 A345 G348 S349 L350 A355 V356L36-Y352 HydrophobicContact CB-CE1 4.3Å; L36-Y352 WeakPolarHBondContact CB-OH 3.5Å; L36-Y352 WeakPolarHBondContact CD1-OH 3.27Å; P37-Y352 HydrophobicContact CB-CD1 3.8Å; P37-Y352 HydrophobicContact CB-CE1 4.3Å; P37-Y352 HydrophobicContact CB-CG 4.15Å; P37-Y352 HydrophobicContact CG-CD1 3.9Å; P37-Y352 HydrophobicContact CG-CD2 4.26Å; P37-Y352 HydrophobicContact CG-CE1 4.16Å; P37-Y352 HydrophobicContact CG-CE2 4.49Å; P37-Y352 HydrophobicContact CG-CG 3.96Å; V40-Y352 HydrophobicContact CG1-CE1 4.3Å; V40-Y352 HydrophobicContact CG2-CD1 4.45Å; V40-Y352 HydrophobicContact CG2-CE1 4.04Å; Q340-Y352 HydrophobicContact CB-CE2 4.39Å; Q340-Y352 HydrophobicContact CG-CD2 4.43Å; Q340-Y352 HydrophobicContact CG-CE2 3.83Å; C344-Y352 HydrophobicContact CB-CD2 3.96Å; C344-Y352 HydrophobicContact CB-CG 4.26Å; A345-Y352 HydrophobicContact CB-CD1 3.93Å; A345-Y352 HydrophobicContact CB-CG 4.25Å; G348-Y352 PolarHBondContact O-N 3.07Å; S349-Y352 PolarHBondContact O-N 3.42Å; L350-Y352 VanDerWaalsContact C-N 3.34Å; L350-Y352 PolarHBondContact O-N 2.63Å; Y352-A355 PolarHBondContact O-N 2.95Å; Y352-V356 HydrophobicContact CD2-CG2 3.66Å; Y352-V356 HydrophobicContact CE2-CG2 3.41Å; Y352-V356 VanDerWaalsContact CE2-CG2 3.41Å; Y352-V356 WeakPolarHBondContact O-CG2 3.44Å; Y352-V356 PolarHBondContact O-N 3.3Å
353H96.7Very high94.9Very high6 Ų618.5 Ų18.53%0.02811%0.106CC..Hα-helixtrans-57.7-51.2176.2-176.964.2000113.4P37 A178 V183 S349 L350 A355 V356 T357P37-H353 HydrophobicContact CB-CB 4.2Å; P37-H353 HydrophobicContact CG-CB 4.31Å; A178-H353 PolarHBondContact O-CE1 3.34Å; A178-H353 PolarHBondContact O-NE2 3.47Å; V183-H353 HydrophobicContact CB-CB 4.37Å; V183-H353 HydrophobicContact CG1-CB 3.59Å; V183-H353 VanDerWaalsContact CG1-CG 3.47Å; V183-H353 WeakPolarHBondContact CG1-ND1 3.43Å; V183-H353 HydrophobicContact CG2-CB 3.85Å; S349-H353 WeakPolarHBondContact O-CB 3.33Å; S349-H353 PolarHBondContact O-N 3.37Å; L350-H353 PolarHBondContact O-N 3.33Å; H353-A355 VanDerWaalsContact C-N 3.34Å; H353-A355 PolarHBondContact O-N 2.72Å; H353-V356 PolarHBondContact O-N 3.23Å; H353-T357 WeakPolarHBondContact O-CB 3.49Å; H353-T357 WeakPolarHBondContact O-CG2 3.42Å; H353-T357 PolarHBondContact O-N 2.88Å; H353-T357 PolarHBondContact O-OG1 3.47Å
354L97.3Very high94.7Very high50 Ų5018.7 Ų18.726%0.26211%0.107SC..Hα-helixtrans-65.6-38179.6-68.5176.1000111.7L179 L350 T357 L358 I463L179-L354 HydrophobicContact CD2-CD2 4.04Å; L350-L354 HydrophobicContact CD1-CD1 4.05Å; L350-L354 HydrophobicContact CD1-CG 4.05Å; L350-L354 HydrophobicContact CG-CD1 3.99Å; L350-L354 HydrophobicContact CG-CG 4.37Å; L350-L354 WeakPolarHBondContact O-CB 3.19Å; L350-L354 WeakPolarHBondContact O-CG 3.37Å; L350-L354 PolarHBondContact O-N 2.97Å; L354-T357 PolarHBondContact O-OG1 2.93Å; L354-L358 HydrophobicContact CB-CD1 4.18Å; L354-L358 HydrophobicContact CD2-CD1 4.34Å; L354-L358 WeakPolarHBondContact O-CB 3.43Å; L354-L358 VanDerWaalsContact O-CG 3.29Å; L354-L358 WeakPolarHBondContact O-CG 3.4Å; L354-L358 PolarHBondContact O-N 3.47Å; L354-I463 HydrophobicContact CB-CD1 3.82Å; L354-I463 HydrophobicContact CB-CG1 4.27Å; L354-I463 HydrophobicContact CD1-CD1 4.14Å
355A97.5Very high94.6Very high0 Ų022.9 Ų22.90%013%0.129CC..Hα-helixtrans-61.8-45.9177.700000111.9C344 T351 Y352 H353 S359 I463 W466C344-A355 HydrophobicContact CB-CB 4.33Å; C344-A355 VanDerWaalsContact SG-CB 3.55Å; T351-A355 VanDerWaalsContact O-CB 3.29Å; T351-A355 WeakPolarHBondContact O-CB 3.36Å; T351-A355 PolarHBondContact O-N 3.26Å; Y352-A355 PolarHBondContact O-N 2.95Å; H353-A355 VanDerWaalsContact C-N 3.34Å; H353-A355 PolarHBondContact O-N 2.72Å; A355-S359 WeakPolarHBondContact O-CB 3.38Å; A355-S359 PolarHBondContact O-N 3.29Å; A355-S359 PolarHBondContact O-OG 3.01Å; A355-I463 HydrophobicContact CB-CG1 4.19Å; A355-W466 HydrophobicContact CB-CB 4.35Å; A355-W466 HydrophobicContact CB-CG 4.4Å
356V97Very high94.6Very high10 Ų1025 Ų256%0.06114%0.138CC..Hα-helixtrans-69.7-47.6-179.7178.80000111.1V34 P37 Y352 H353 S359 G360V34-V356 HydrophobicContact CB-CG1 4.36Å; V34-V356 HydrophobicContact CG1-CG1 4.07Å; P37-V356 HydrophobicContact CG-CG2 4.38Å; Y352-V356 HydrophobicContact CD2-CG2 3.66Å; Y352-V356 HydrophobicContact CE2-CG2 3.41Å; Y352-V356 VanDerWaalsContact CE2-CG2 3.41Å; Y352-V356 WeakPolarHBondContact O-CG2 3.44Å; Y352-V356 PolarHBondContact O-N 3.3Å; H353-V356 PolarHBondContact O-N 3.23Å; V356-S359 PolarHBondContact O-OG 3.43Å; V356-G360 PolarHBondContact O-N 3.38Å; V356-G360 VanDerWaalsContact O-N 3.13Å
357T97.4Very high94.5Very high0 Ų025.4 Ų25.40%014%0.139CC..Hα-helixtrans-72.2-47.7-174.753.90000113.4S175 A178 L179 H353 L354 G360 L361S175-T357 WeakPolarHBondContact CB-O 3.39Å; A178-T357 HydrophobicContact CB-CG2 3.57Å; L179-T357 HydrophobicContact CD2-CG2 4.4Å; L179-T357 VanDerWaalsContact CD2-OG1 3.24Å; L179-T357 WeakPolarHBondContact CD2-OG1 3.48Å; L179-T357 HydrophobicContact CG-CG2 4.36Å; H353-T357 WeakPolarHBondContact O-CB 3.49Å; H353-T357 WeakPolarHBondContact O-CG2 3.42Å; H353-T357 PolarHBondContact O-N 2.88Å; H353-T357 PolarHBondContact O-OG1 3.47Å; L354-T357 PolarHBondContact O-OG1 2.93Å; T357-G360 PolarHBondContact O-N 3.08Å; T357-L361 WeakPolarHBondContact O-CD1 3.39Å; T357-L361 WeakPolarHBondContact O-CG 3.31Å; T357-L361 PolarHBondContact O-N 2.88Å
358L97.4Very high94.3Very high55 Ų5524.9 Ų24.929%0.28814%0.14SC..Hα-helixtrans-68-38.2-179.6-63.4176.1000111.6L179 L354 G360 L361 C362 I463 I467L179-L358 HydrophobicContact CD1-CD2 4.24Å; L354-L358 HydrophobicContact CB-CD1 4.18Å; L354-L358 HydrophobicContact CD2-CD1 4.34Å; L354-L358 WeakPolarHBondContact O-CB 3.43Å; L354-L358 VanDerWaalsContact O-CG 3.29Å; L354-L358 WeakPolarHBondContact O-CG 3.4Å; L354-L358 PolarHBondContact O-N 3.47Å; L358-G360 VanDerWaalsContact C-N 3.34Å; L358-L361 HydrophobicContact CD2-CD1 4.35Å; L358-L361 PolarHBondContact O-N 3.45Å; L358-C362 WeakPolarHBondContact O-CB 3.45Å; L358-C362 PolarHBondContact O-N 3.06Å; L358-C362 PolarHBondContact O-SG 2.87Å; L358-I463 HydrophobicContact CD1-CG2 4.05Å; L358-I467 HydrophobicContact CB-CD1 3.91Å; L358-I467 HydrophobicContact CB-CG1 4.21Å; L358-I467 HydrophobicContact CD1-CD1 4.5Å
359S96.6Very high94.4Very high3 Ų328.5 Ų28.52%0.02116%0.157CC..Hα-helixtrans-68.3-33.517772.90000112.5A355 V356 S363A355-S359 WeakPolarHBondContact O-CB 3.38Å; A355-S359 PolarHBondContact O-N 3.29Å; A355-S359 PolarHBondContact O-OG 3.01Å; V356-S359 PolarHBondContact O-OG 3.43Å; S359-S363 WeakPolarHBondContact O-CB 3.31Å; S359-S363 PolarHBondContact O-N 3.24Å
360G94.3Very high94.3Very high6 Ų628.1 Ų28.16%0.06216%0.155CC..Hα-helixtrans-63.7-48.3170.600000112.9V356 T357 L358 S363 A364V356-G360 PolarHBondContact O-N 3.38Å; V356-G360 VanDerWaalsContact O-N 3.13Å; T357-G360 PolarHBondContact O-N 3.08Å; L358-G360 VanDerWaalsContact C-N 3.34Å; G360-S363 WeakPolarHBondContact O-CB 3.26Å; G360-S363 PolarHBondContact O-N 3.06Å; G360-A364 PolarHBondContact O-N 3.17Å; G360-A364 VanDerWaalsContact O-N 3.15Å
361L94.7Very high93.9Very high27 Ų2726 Ų2614%0.14115%0.145CC..Hα-helixtrans-58.8-50.9175.6-74.2156.4000112.1L172 T176 L179 T357 L358 S363 A364 I365L172-L361 HydrophobicContact CD1-CD2 3.48Å; L172-L361 VanDerWaalsContact CD1-CD2 3.48Å; L172-L361 HydrophobicContact CG-CD2 4.13Å; T176-L361 WeakPolarHBondContact OG1-CD2 3.27Å; L179-L361 HydrophobicContact CD1-CD1 3.33Å; L179-L361 HydrophobicContact CG-CD1 4.29Å; T357-L361 WeakPolarHBondContact O-CD1 3.39Å; T357-L361 WeakPolarHBondContact O-CG 3.31Å; T357-L361 PolarHBondContact O-N 2.88Å; L358-L361 HydrophobicContact CD2-CD1 4.35Å; L358-L361 PolarHBondContact O-N 3.45Å; L361-S363 VanDerWaalsContact C-N 3.33Å; L361-S363 PolarHBondContact O-N 3.31Å; L361-A364 PolarHBondContact O-N 2.91Å; L361-I365 WeakPolarHBondContact O-CG1 3.35Å; L361-I365 PolarHBondContact O-N 2.84Å; L361-I365 VanDerWaalsContact O-N 3.15Å
362C95.7Very high93.5Very high41 Ų4132.3 Ų32.328%0.27717%0.172SC..Hα-helixtrans-64.8-36.9-179.7-67.40000111.9L358 A364 I365 M366 I467 C471L358-C362 WeakPolarHBondContact O-CB 3.45Å; L358-C362 PolarHBondContact O-N 3.06Å; L358-C362 PolarHBondContact O-SG 2.87Å; C362-A364 PolarHBondContact O-N 3.4Å; C362-I365 PolarHBondContact O-N 2.92Å; C362-M366 VanDerWaalsContact O-CB 3.28Å; C362-M366 WeakPolarHBondContact O-CB 3.28Å; C362-M366 VanDerWaalsContact O-CG 3.23Å; C362-M366 WeakPolarHBondContact O-CG 3.28Å; C362-M366 PolarHBondContact O-N 3.45Å; C362-I467 HydrophobicContact CB-CG2 3.94Å; C362-C471 VanDerWaalsContact CB-SG 3.54Å
363S93.6Very high93.1Very high6 Ų637.8 Ų37.84%0.04220%0.201CC..Hα-helixtrans-57-47.5173.8176.60000112.5S359 G360 L361 M366 T367S359-S363 WeakPolarHBondContact O-CB 3.31Å; S359-S363 PolarHBondContact O-N 3.24Å; G360-S363 WeakPolarHBondContact O-CB 3.26Å; G360-S363 PolarHBondContact O-N 3.06Å; L361-S363 VanDerWaalsContact C-N 3.33Å; L361-S363 PolarHBondContact O-N 3.31Å; S363-M366 PolarHBondContact O-N 3.16Å; S363-T367 WeakPolarHBondContact O-CB 3.39Å; S363-T367 PolarHBondContact O-N 3.12Å; S363-T367 PolarHBondContact O-OG1 3.16Å
364A92Very high92.5Very high4 Ų438.1 Ų38.13%0.03320%0.203CC..Hα-helixtrans-62.2-4817900000111.4A168 D171 L172 G360 L361 C362 M366 T367 V368A168-A364 VanDerWaalsContact O-CB 3.24Å; A168-A364 WeakPolarHBondContact O-CB 3.23Å; D171-A364 HydrophobicContact CB-CB 4.22Å; L172-A364 HydrophobicContact CB-CB 3.95Å; L172-A364 HydrophobicContact CD1-CB 4.1Å; G360-A364 PolarHBondContact O-N 3.17Å; G360-A364 VanDerWaalsContact O-N 3.15Å; L361-A364 PolarHBondContact O-N 2.91Å; C362-A364 PolarHBondContact O-N 3.4Å; A364-M366 VanDerWaalsContact C-N 3.35Å; A364-M366 PolarHBondContact O-N 3.3Å; A364-T367 PolarHBondContact O-N 3.46Å; A364-V368 PolarHBondContact O-N 3.44Å
365I92.2Very high91.6Very high89 Ų8939.6 Ų39.646%0.45621%0.212SC..Hα-helixtrans-60.4-45.9177.2-64.8167.6000110.4L361 C362 T367 V368 L369L361-I365 WeakPolarHBondContact O-CG1 3.35Å; L361-I365 PolarHBondContact O-N 2.84Å; L361-I365 VanDerWaalsContact O-N 3.15Å; C362-I365 PolarHBondContact O-N 2.92Å; I365-T367 VanDerWaalsContact C-N 3.33Å; I365-T367 PolarHBondContact O-N 2.97Å; I365-V368 PolarHBondContact O-N 3.18Å; I365-L369 HydrophobicContact CG2-CD1 3.78Å; I365-L369 HydrophobicContact CG2-CG 4.22Å; I365-L369 WeakPolarHBondContact O-CB 3.37Å; I365-L369 VanDerWaalsContact O-CG 3.32Å; I365-L369 WeakPolarHBondContact O-CG 3.07Å; I365-L369 PolarHBondContact O-N 2.94Å
366M93.5Very high90.9Very high56 Ų5644.8 Ų44.828%0.27624%0.236SC..Hα-helixtrans-65.7-33.6179.6-75.4-54.4-57.500113.2C362 S363 A364 L369 T370 C471 S475C362-M366 VanDerWaalsContact O-CB 3.28Å; C362-M366 WeakPolarHBondContact O-CB 3.28Å; C362-M366 VanDerWaalsContact O-CG 3.23Å; C362-M366 WeakPolarHBondContact O-CG 3.28Å; C362-M366 PolarHBondContact O-N 3.45Å; S363-M366 PolarHBondContact O-N 3.16Å; A364-M366 VanDerWaalsContact C-N 3.35Å; A364-M366 PolarHBondContact O-N 3.3Å; M366-L369 HydrophobicContact SD-CD1 3.96Å; M366-T370 WeakPolarHBondContact O-CB 3.15Å; M366-T370 PolarHBondContact O-N 2.63Å; M366-T370 PolarHBondContact O-OG1 2.95Å; M366-C471 HydrophobicContact CB-CB 4.43Å; M366-C471 HydrophobicContact CG-CB 3.78Å; M366-C471 WeakPolarHBondContact CG-SG 3.37Å; M366-S475 WeakPolarHBondContact CE-OG 3.25Å
367T89.9Confident90.1Very high15 Ų1546.5 Ų46.59%0.09224%0.241CC..Hα-helixtrans-62.4-46.1174.3-630000110.7A168 S363 A364 I365 T370 T371A168-T367 HydrophobicContact CB-CG2 4.2Å; S363-T367 WeakPolarHBondContact O-CB 3.39Å; S363-T367 PolarHBondContact O-N 3.12Å; S363-T367 PolarHBondContact O-OG1 3.16Å; A364-T367 PolarHBondContact O-N 3.46Å; I365-T367 VanDerWaalsContact C-N 3.33Å; I365-T367 PolarHBondContact O-N 2.97Å; T367-T370 PolarHBondContact O-N 2.82Å; T367-T371 PolarHBondContact O-N 3.26Å; T367-T371 PolarHBondContact O-OG1 3.21Å
368V88.7Confident88.9Confident30 Ų3049.4 Ų49.418%0.18226%0.262CS..Hα-helixtrans-64.8-48.9177.3174.20000110.6F165 A168 A364 I365 T370 T371 F372F165-V368 HydrophobicContact CD2-CG2 4.23Å; A168-V368 HydrophobicContact CB-CG2 4.27Å; A364-V368 PolarHBondContact O-N 3.44Å; I365-V368 PolarHBondContact O-N 3.18Å; V368-T370 VanDerWaalsContact C-N 3.35Å; V368-T370 PolarHBondContact O-N 3.18Å; V368-T371 WeakPolarHBondContact O-CB 3.28Å; V368-T371 PolarHBondContact O-N 3.35Å; V368-F372 HydrophobicContact CG1-CD2 3.81Å; V368-F372 HydrophobicContact CG1-CE2 3.46Å; V368-F372 VanDerWaalsContact CG1-CE2 3.46Å; V368-F372 WeakPolarHBondContact O-CD2 3.27Å; V368-F372 PolarHBondContact O-N 3Å; V368-F372 VanDerWaalsContact O-N 3.08Å
369L91.3Very high87.7Confident82 Ų8256.4 Ų56.443%0.42928%0.284SS..Hα-helixtrans-58.5-45.1177.3-71.5174.4000111.9I365 M366 T371 F372 L373I365-L369 HydrophobicContact CG2-CD1 3.78Å; I365-L369 HydrophobicContact CG2-CG 4.22Å; I365-L369 WeakPolarHBondContact O-CB 3.37Å; I365-L369 VanDerWaalsContact O-CG 3.32Å; I365-L369 WeakPolarHBondContact O-CG 3.07Å; I365-L369 PolarHBondContact O-N 2.94Å; M366-L369 HydrophobicContact SD-CD1 3.96Å; L369-T371 VanDerWaalsContact C-N 3.33Å; L369-T371 PolarHBondContact O-N 2.85Å; L369-F372 PolarHBondContact O-N 2.89Å; L369-L373 VanDerWaalsContact O-CG 3.31Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 3.45Å
370T90.4Very high86.6Confident9 Ų960.6 Ų60.66%0.05530%0.304CS..Hα-helixtrans-61.4-43.3177.4-59.80000111M366 T367 V368 F372 L373 V374 S475 T478 W479M366-T370 WeakPolarHBondContact O-CB 3.15Å; M366-T370 PolarHBondContact O-N 2.63Å; M366-T370 PolarHBondContact O-OG1 2.95Å; T367-T370 PolarHBondContact O-N 2.82Å; V368-T370 VanDerWaalsContact C-N 3.35Å; V368-T370 PolarHBondContact O-N 3.18Å; T370-F372 VanDerWaalsContact C-N 3.29Å; T370-F372 PolarHBondContact O-N 2.81Å; T370-L373 PolarHBondContact O-N 3.47Å; T370-V374 HydrophobicContact CG2-CG2 3.96Å; T370-V374 WeakPolarHBondContact O-CB 3.41Å; T370-V374 VanDerWaalsContact O-CG2 3.23Å; T370-V374 WeakPolarHBondContact O-CG2 3.47Å; T370-V374 PolarHBondContact O-N 3.17Å; T370-S475 WeakPolarHBondContact CG2-O 3.35Å; T370-S475 WeakPolarHBondContact OG1-CA 3.39Å; T370-S475 WeakPolarHBondContact OG1-CB 3.07Å; T370-S475 PolarHBondContact OG1-OG 3.43Å; T370-T478 HydrophobicContact CG2-CG2 3.98Å; T370-W479 HydrophobicContact CG2-CB 4.37Å
371T84.9Confident85.1Confident44 Ų4461.9 Ų61.927%0.2731%0.309SS..Hα-helixtrans-56.9-44.5176.6-56.50000111.3T367 V368 L369 N375 T478 M482T367-T371 PolarHBondContact O-N 3.26Å; T367-T371 PolarHBondContact O-OG1 3.21Å; V368-T371 WeakPolarHBondContact O-CB 3.28Å; V368-T371 PolarHBondContact O-N 3.35Å; L369-T371 VanDerWaalsContact C-N 3.33Å; L369-T371 PolarHBondContact O-N 2.85Å; T371-N375 WeakPolarHBondContact O-CB 3.3Å; T371-N375 PolarHBondContact O-N 3.19Å; T371-N375 VanDerWaalsContact O-N 3.12Å; T371-N375 PolarHBondContact O-ND2 3.5Å; T371-T478 WeakPolarHBondContact OG1-CG2 3.26Å; T371-M482 HydrophobicContact CG2-CE 3.9Å; T371-M482 HydrophobicContact CG2-SD 3.88Å
372F86.3Confident83.5Confident143 Ų14362.7 Ų62.763%0.62732%0.323SS*.Hα-helixtrans-64-46.1175-76.3-68.1000112.6V368 L369 T370 V374 N375 H376V368-F372 HydrophobicContact CG1-CD2 3.81Å; V368-F372 HydrophobicContact CG1-CE2 3.46Å; V368-F372 VanDerWaalsContact CG1-CE2 3.46Å; V368-F372 WeakPolarHBondContact O-CD2 3.27Å; V368-F372 PolarHBondContact O-N 3Å; V368-F372 VanDerWaalsContact O-N 3.08Å; L369-F372 PolarHBondContact O-N 2.89Å; T370-F372 VanDerWaalsContact C-N 3.29Å; T370-F372 PolarHBondContact O-N 2.81Å; F372-V374 PolarHBondContact O-N 3.39Å; F372-N375 PolarHBondContact O-N 3.07Å; F372-H376 WeakPolarHBondContact O-CB 3.47Å; F372-H376 PolarHBondContact O-N 3.37Å
373L88.2Confident81.7Confident117 Ų11764.1 Ų64.161%0.61333%0.334SS*.Hα-helixtrans-62.8-40.9-179.9-70.9173.5000112.3L369 T370 H376 Y377L369-L373 VanDerWaalsContact O-CG 3.31Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 3.45Å; T370-L373 PolarHBondContact O-N 3.47Å; L373-H376 PolarHBondContact O-N 3.25Å; L373-Y377 VanDerWaalsContact O-CB 3.27Å; L373-Y377 WeakPolarHBondContact O-CB 3.37Å; L373-Y377 PolarHBondContact O-N 3.29Å
374V82.9Confident80.1Confident14 Ų1467.9 Ų67.99%0.08536%0.356CS..Hα-helixtrans-66.6-43.5178.1173.60000110.9T370 F372 H376 Y377 S378 W479 M482T370-V374 HydrophobicContact CG2-CG2 3.96Å; T370-V374 WeakPolarHBondContact O-CB 3.41Å; T370-V374 VanDerWaalsContact O-CG2 3.23Å; T370-V374 WeakPolarHBondContact O-CG2 3.47Å; T370-V374 PolarHBondContact O-N 3.17Å; F372-V374 PolarHBondContact O-N 3.39Å; V374-H376 VanDerWaalsContact C-N 3.34Å; V374-Y377 PolarHBondContact O-N 3.23Å; V374-S378 WeakPolarHBondContact O-CB 3.49Å; V374-S378 PolarHBondContact O-N 2.98Å; V374-W479 HydrophobicContact CG2-CB 4.08Å; V374-W479 HydrophobicContact CG2-CD2 4.11Å; V374-W479 HydrophobicContact CG2-CG 3.62Å; V374-M482 HydrophobicContact CB-CE 4.15Å; V374-M482 HydrophobicContact CB-SD 3.92Å; V374-M482 HydrophobicContact CG1-CB 3.94Å; V374-M482 HydrophobicContact CG1-CE 3.94Å; V374-M482 HydrophobicContact CG1-SD 3.92Å; V374-M482 HydrophobicContact CG2-SD 4.45Å
375N79.2Confident78.2Confident81 Ų8169.8 Ų69.843%0.43337%0.366SS..Hα-helixtrans-63.2-41175.5-77.4-22.8000112T371 F372 R379 M482T371-N375 WeakPolarHBondContact O-CB 3.3Å; T371-N375 PolarHBondContact O-N 3.19Å; T371-N375 VanDerWaalsContact O-N 3.12Å; T371-N375 PolarHBondContact O-ND2 3.5Å; F372-N375 PolarHBondContact O-N 3.07Å; N375-R379 WeakPolarHBondContact O-CG 3.15Å; N375-R379 PolarHBondContact O-N 2.96Å; N375-M482 WeakPolarHBondContact OD1-CE 3.4Å
376H83.6Confident76.6Confident109 Ų10971.4 Ų71.451%0.50537%0.372SS..Hα-helixtrans-62.2-51.4175.4-171.9-89.6000111.5F372 L373 V374 S378 R379 E380F372-H376 WeakPolarHBondContact O-CB 3.47Å; F372-H376 PolarHBondContact O-N 3.37Å; L373-H376 PolarHBondContact O-N 3.25Å; V374-H376 VanDerWaalsContact C-N 3.34Å; H376-S378 VanDerWaalsContact C-N 3.28Å; H376-S378 PolarHBondContact O-N 2.99Å; H376-R379 PolarHBondContact O-N 3.08Å; H376-E380 IonicContact CE1-OE1 3.32Å; H376-E380 PolarHBondContact CE1-OE1 3.4Å; H376-E380 IonicContact CE1-OE2 3.2Å; H376-E380 IonicContact ND1-OE1 2.67Å; H376-E380 IonicContact ND1-OE2 2.73Å; H376-E380 PolarHBondContact ND1-OE2 2.97Å; H376-E380 PolarHBondContact O-N 3.39Å
377Y79.1Confident74.8Confident45 Ų4571.7 Ų71.718%0.17638%0.378CS..Hα-helixtrans-58.9-39.1179.5-173.5-109.9000112.4L373 V374 R379 I381 Y419 S422 K426 W479L373-Y377 VanDerWaalsContact O-CB 3.27Å; L373-Y377 WeakPolarHBondContact O-CB 3.37Å; L373-Y377 PolarHBondContact O-N 3.29Å; V374-Y377 PolarHBondContact O-N 3.23Å; Y377-R379 VanDerWaalsContact C-N 3.3Å; Y377-R379 PolarHBondContact O-N 2.98Å; Y377-I381 HydrophobicContact CD1-CD1 3.92Å; Y377-I381 HydrophobicContact CD2-CD1 4.29Å; Y377-I381 HydrophobicContact CE1-CD1 3.54Å; Y377-I381 HydrophobicContact CE2-CD1 3.91Å; Y377-I381 HydrophobicContact CG-CD1 4.29Å; Y377-I381 WeakPolarHBondContact O-CD1 3.19Å; Y377-I381 WeakPolarHBondContact O-CG1 3.27Å; Y377-I381 PolarHBondContact O-N 3.34Å; Y377-Y419 HydrophobicContact CD1-CE2 4.12Å; Y377-Y419 HydrophobicContact CE1-CD2 4.32Å; Y377-Y419 AromaticContact CE1-CE2 3.53Å; Y377-Y419 HydrophobicContact CE1-CE2 3.53Å; Y377-S422 PolarHBondContact OH-OG 3.09Å; Y377-K426 PolarHBondContact OH-NZ 3.4Å; Y377-W479 HydrophobicContact CD1-CZ2 4.38Å; Y377-W479 HydrophobicContact CE1-CZ2 4.45Å
378S72.7Confident73.3Confident62 Ų6274.1 Ų74.143%0.43439%0.393SS..Hα-helixtrans-66.2-30.1175.8-170.30000113.1V374 H376V374-S378 WeakPolarHBondContact O-CB 3.49Å; V374-S378 PolarHBondContact O-N 2.98Å; H376-S378 VanDerWaalsContact C-N 3.28Å; H376-S378 PolarHBondContact O-N 2.99Å
379R72.9Confident71.8Confident202 Ų20276.2 Ų76.276%0.76240%0.399SS*.Hα-helixtrans-79.2-42.6179.1-72.9177.171.5177.52.8112.3N375 H376 Y377 I381 G382 S383N375-R379 WeakPolarHBondContact O-CG 3.15Å; N375-R379 PolarHBondContact O-N 2.96Å; H376-R379 PolarHBondContact O-N 3.08Å; Y377-R379 VanDerWaalsContact C-N 3.3Å; Y377-R379 PolarHBondContact O-N 2.98Å; R379-I381 PolarHBondContact O-N 2.95Å; R379-G382 PolarHBondContact O-N 3.33Å; R379-S383 PolarHBondContact O-N 2.95Å; R379-S383 VanDerWaalsContact O-N 3.1Å
380E71.9Confident70.3Confident91 Ų9177.7 Ų77.743%0.42540%0.404SS..Hα-helixtrans-58.6-39.3178.6-73.4-177.4134.700111.9H376 S383 T384H376-E380 IonicContact CE1-OE1 3.32Å; H376-E380 PolarHBondContact CE1-OE1 3.4Å; H376-E380 IonicContact CE1-OE2 3.2Å; H376-E380 IonicContact ND1-OE1 2.67Å; H376-E380 IonicContact ND1-OE2 2.73Å; H376-E380 PolarHBondContact ND1-OE2 2.97Å; H376-E380 PolarHBondContact O-N 3.39Å; E380-S383 WeakPolarHBondContact CA-OG 3.45Å; E380-S383 PolarHBondContact O-N 2.94Å; E380-S383 PolarHBondContact O-OG 2.84Å; E380-T384 PolarHBondContact O-N 3.35Å; E380-T384 PolarHBondContact O-OG1 3.35Å
381I64.2Low68.9Low33 Ų3382.3 Ų82.317%0.16943%0.429CS..Hα-helixtrans-70.4-42.7-179.6-67.4170.1000110.5Y377 R379 S383 T384 D385 Y419Y377-I381 HydrophobicContact CD1-CD1 3.92Å; Y377-I381 HydrophobicContact CD2-CD1 4.29Å; Y377-I381 HydrophobicContact CE1-CD1 3.54Å; Y377-I381 HydrophobicContact CE2-CD1 3.91Å; Y377-I381 HydrophobicContact CG-CD1 4.29Å; Y377-I381 WeakPolarHBondContact O-CD1 3.19Å; Y377-I381 WeakPolarHBondContact O-CG1 3.27Å; Y377-I381 PolarHBondContact O-N 3.34Å; R379-I381 PolarHBondContact O-N 2.95Å; I381-S383 PolarHBondContact O-N 3.41Å; I381-T384 PolarHBondContact O-N 3.08Å; I381-T384 VanDerWaalsContact O-N 3.07Å; I381-D385 WeakPolarHBondContact CG2-OD2 3.49Å; I381-D385 VanDerWaalsContact O-CB 3.29Å; I381-D385 WeakPolarHBondContact O-CB 3.36Å; I381-D385 PolarHBondContact O-N 3.3Å; I381-Y419 HydrophobicContact CD1-CD2 3.39Å; I381-Y419 HydrophobicContact CD1-CE2 3.22Å; I381-Y419 HydrophobicContact CG2-CD2 4.28Å
382G60.3Low67.5Low43 Ų4382.7 Ų82.744%0.44343%0.429SS..Hα-helixtrans-54.1-37.3171.300000113.2R379R379-G382 PolarHBondContact O-N 3.33Å
383S58.7Low66.2Low71 Ų7181 Ų8150%0.49742%0.423SS..Hα-helixtrans-78.8-25.6177.361.80000115.1R379 E380 I381 P387R379-S383 PolarHBondContact O-N 2.95Å; R379-S383 VanDerWaalsContact O-N 3.1Å; E380-S383 WeakPolarHBondContact CA-OG 3.45Å; E380-S383 PolarHBondContact O-N 2.94Å; E380-S383 PolarHBondContact O-OG 2.84Å; I381-S383 PolarHBondContact O-N 3.41Å; S383-P387 WeakPolarHBondContact O-CD 3.37Å
384T58.3Low65Low85 Ų8578.9 Ų78.952%0.52142%0.415SS..Hα-helixtrans-82.6-29.8179.4-42.90000111.1E380 I381 P387 T388E380-T384 PolarHBondContact O-N 3.35Å; E380-T384 PolarHBondContact O-OG1 3.35Å; I381-T384 PolarHBondContact O-N 3.08Å; I381-T384 VanDerWaalsContact O-N 3.07Å; T384-P387 WeakPolarHBondContact O-CD 3.28Å; T384-T388 PolarHBondContact O-OG1 3.41Å
385D53.8Low63.9Low45 Ų4582.8 Ų82.824%0.24143%0.433CS..Hα-helixtrans-75.1-31.3-179.1-71.2-2.9000111.8I381 T388 F389 M415I381-D385 WeakPolarHBondContact CG2-OD2 3.49Å; I381-D385 VanDerWaalsContact O-CB 3.29Å; I381-D385 WeakPolarHBondContact O-CB 3.36Å; I381-D385 PolarHBondContact O-N 3.3Å; D385-T388 PolarHBondContact O-N 3.35Å; D385-F389 VanDerWaalsContact O-CB 3.25Å; D385-F389 WeakPolarHBondContact O-CB 3.32Å; D385-F389 PolarHBondContact O-N 3.18Å; D385-M415 HydrophobicContact CB-CE 3.4Å; D385-M415 HydrophobicContact CB-SD 3.76Å
386E57Low62.7Low122 Ų12282.9 Ų82.957%0.5743%0.434SS*.Hα-helixtrans-59.4-53.8-177.7-164.3168.7-157.200114.3T388 F389 E390E386-T388 VanDerWaalsContact C-N 3.29Å; E386-T388 PolarHBondContact O-N 2.86Å; E386-F389 PolarHBondContact O-N 3.45Å; E386-E390 WeakPolarHBondContact O-CG 3.29Å; E386-E390 PolarHBondContact O-N 3.32Å
387P57.7Low61.5Low62 Ų6287.1 Ų87.140%0.40345%0.446SS..Hα-helixtrans-68.5-29.3178.826.3-34.6000112.6S383 T384 N391S383-P387 WeakPolarHBondContact O-CD 3.37Å; T384-P387 WeakPolarHBondContact O-CD 3.28Å; P387-N391 WeakPolarHBondContact O-CB 3.45Å; P387-N391 PolarHBondContact O-N 3.33Å; P387-N391 PolarHBondContact O-ND2 2.69Å; P387-N391 VanDerWaalsContact O-ND2 3.13Å
388T58.1Low60.7Low67 Ų6790.8 Ų90.841%0.41146%0.464SS..Hα-helixtrans-70.8-42177.6-43.20000110T384 D385 E386 N391 L392T384-T388 PolarHBondContact O-OG1 3.41Å; D385-T388 PolarHBondContact O-N 3.35Å; E386-T388 VanDerWaalsContact C-N 3.29Å; E386-T388 PolarHBondContact O-N 2.86Å; T388-N391 PolarHBondContact O-N 2.85Å; T388-L392 HydrophobicContact CG2-CD1 4.12Å; T388-L392 WeakPolarHBondContact O-CB 3.28Å; T388-L392 WeakPolarHBondContact O-CD1 3.41Å; T388-L392 PolarHBondContact O-N 2.97Å
389F55.6Low59.7Low73 Ų7390.3 Ų90.332%0.3246%0.457SS..Hα-helixtrans-64.5-43.8173.6-177.8-102.8000112D385 E386 L392 Q393 D412D385-F389 VanDerWaalsContact O-CB 3.25Å; D385-F389 WeakPolarHBondContact O-CB 3.32Å; D385-F389 PolarHBondContact O-N 3.18Å; E386-F389 PolarHBondContact O-N 3.45Å; F389-L392 PolarHBondContact O-N 3.38Å; F389-Q393 HydrophobicContact CD1-CG 4.25Å; F389-Q393 HydrophobicContact CE1-CG 3.99Å; F389-Q393 HydrophobicContact CE2-CG 4.42Å; F389-Q393 HydrophobicContact CZ-CG 4.09Å; F389-Q393 WeakPolarHBondContact O-CB 3.29Å; F389-Q393 WeakPolarHBondContact O-CG 3.36Å; F389-Q393 PolarHBondContact O-N 2.86Å; F389-D412 WeakPolarHBondContact CD2-OD1 3.29Å; F389-D412 WeakPolarHBondContact CE2-OD1 3.46Å
390E60.3Low58.8Low114 Ų11486 Ų8653%0.53345%0.449SS..Hα-helixtrans-59.9-47.9173.7-76.3-172.3156.700111.5E386 L392 Q393 T394E386-E390 WeakPolarHBondContact O-CG 3.29Å; E386-E390 PolarHBondContact O-N 3.32Å; E390-L392 VanDerWaalsContact C-N 3.34Å; E390-L392 PolarHBondContact O-N 2.96Å; E390-Q393 PolarHBondContact O-N 3.04Å; E390-T394 WeakPolarHBondContact O-CB 3.34Å; E390-T394 PolarHBondContact O-N 3.4Å; E390-T394 PolarHBondContact O-OG1 2.84Å
391N61.8Low58.1Low106 Ų10689.8 Ų89.857%0.56747%0.466SS*.Hα-helixtrans-61.6-40.7177.9-75.8-28.9000112.4P387 T388 T394 M395P387-N391 WeakPolarHBondContact O-CB 3.45Å; P387-N391 PolarHBondContact O-N 3.33Å; P387-N391 PolarHBondContact O-ND2 2.69Å; P387-N391 VanDerWaalsContact O-ND2 3.13Å; T388-N391 PolarHBondContact O-N 2.85Å; N391-T394 PolarHBondContact O-N 3.05Å; N391-M395 PolarHBondContact O-N 3.47Å
392L55.3Low57.4Low52 Ų5294.8 Ų94.827%0.27249%0.489SS..Hα-helixtrans-68.7-39.7175.6-89.2145.1000112.2T388 F389 E390 T394 M395 N396 P411T388-L392 HydrophobicContact CG2-CD1 4.12Å; T388-L392 WeakPolarHBondContact O-CB 3.28Å; T388-L392 WeakPolarHBondContact O-CD1 3.41Å; T388-L392 PolarHBondContact O-N 2.97Å; F389-L392 PolarHBondContact O-N 3.38Å; E390-L392 VanDerWaalsContact C-N 3.34Å; E390-L392 PolarHBondContact O-N 2.96Å; L392-T394 VanDerWaalsContact C-N 3.29Å; L392-T394 PolarHBondContact O-N 3.11Å; L392-M395 HydrophobicContact CD2-CE 4.09Å; L392-M395 HydrophobicContact CG-CE 4.06Å; L392-M395 PolarHBondContact O-N 2.94Å; L392-N396 VanDerWaalsContact O-CB 3.23Å; L392-N396 WeakPolarHBondContact O-CB 3.46Å; L392-N396 PolarHBondContact O-N 3.17Å; L392-P411 HydrophobicContact CB-CG 4.07Å; L392-P411 HydrophobicContact CD1-CB 3.47Å; L392-P411 VanDerWaalsContact CD1-CB 3.47Å; L392-P411 HydrophobicContact CD1-CG 3.86Å; L392-P411 HydrophobicContact CD2-CB 4.03Å; L392-P411 HydrophobicContact CD2-CG 3.97Å; L392-P411 HydrophobicContact CG-CB 4.23Å; L392-P411 HydrophobicContact CG-CG 4.18Å
393Q59.3Low56.4Low106 Ų106100 Ų10050%0.49551%0.507SS..Hα-helixtrans-63.3-37.1172.5-79.2-166.6-22.500111.8F389 E390 N396 R397F389-Q393 HydrophobicContact CD1-CG 4.25Å; F389-Q393 HydrophobicContact CE1-CG 3.99Å; F389-Q393 HydrophobicContact CE2-CG 4.42Å; F389-Q393 HydrophobicContact CZ-CG 4.09Å; F389-Q393 WeakPolarHBondContact O-CB 3.29Å; F389-Q393 WeakPolarHBondContact O-CG 3.36Å; F389-Q393 PolarHBondContact O-N 2.86Å; E390-Q393 PolarHBondContact O-N 3.04Å; Q393-N396 PolarHBondContact O-N 3.3Å; Q393-R397 PolarHBondContact O-N 3.42Å
394T62.3Low55.4Low74 Ų74102.8 Ų102.845%0.45451%0.512SS..Hα-helixtrans-67.4-48.4177.6-45.80000110.5E390 N391 L392 N396 R397 E398E390-T394 WeakPolarHBondContact O-CB 3.34Å; E390-T394 PolarHBondContact O-N 3.4Å; E390-T394 PolarHBondContact O-OG1 2.84Å; N391-T394 PolarHBondContact O-N 3.05Å; L392-T394 VanDerWaalsContact C-N 3.29Å; L392-T394 PolarHBondContact O-N 3.11Å; T394-N396 VanDerWaalsContact C-N 3.29Å; T394-N396 PolarHBondContact O-N 3.16Å; T394-R397 WeakPolarHBondContact O-CB 3.36Å; T394-R397 PolarHBondContact O-N 3.31Å; T394-E398 PolarHBondContact O-N 3.14Å
395M60.1Low54.3Low95 Ų95105.4 Ų105.447%0.46852%0.521SS..Hα-helixtrans-58.9-38.5171.8-86.7-172.7-63.100112.6N391 L392 R397 E398 L399N391-M395 PolarHBondContact O-N 3.47Å; L392-M395 HydrophobicContact CD2-CE 4.09Å; L392-M395 HydrophobicContact CG-CE 4.06Å; L392-M395 PolarHBondContact O-N 2.94Å; M395-R397 VanDerWaalsContact C-N 3.32Å; M395-E398 PolarHBondContact O-N 2.88Å; M395-L399 WeakPolarHBondContact O-CB 3.28Å; M395-L399 PolarHBondContact O-N 2.95Å
396N54.5Low53.4Low84 Ų84107.4 Ų107.445%0.44954%0.538SS..Hα-helixtrans-72.1-28.7-179.5-149.310.6000111.8L392 Q393 T394 N400L392-N396 VanDerWaalsContact O-CB 3.23Å; L392-N396 WeakPolarHBondContact O-CB 3.46Å; L392-N396 PolarHBondContact O-N 3.17Å; Q393-N396 PolarHBondContact O-N 3.3Å; T394-N396 VanDerWaalsContact C-N 3.29Å; T394-N396 PolarHBondContact O-N 3.16Å; N396-N400 VanDerWaalsContact O-CB 3.27Å; N396-N400 WeakPolarHBondContact O-CB 3.32Å; N396-N400 PolarHBondContact O-N 3.1Å; N396-N400 PolarHBondContact O-ND2 3.13Å
397R58.5Low52.5Low198 Ų198112.1 Ų112.175%0.74755%0.552SS**Hα-helixtrans-66-46.8167.8-92.9-177.3171.1170.8-1.4111.1Q393 T394 M395 L399 N400 E401Q393-R397 PolarHBondContact O-N 3.42Å; T394-R397 WeakPolarHBondContact O-CB 3.36Å; T394-R397 PolarHBondContact O-N 3.31Å; M395-R397 VanDerWaalsContact C-N 3.32Å; R397-L399 PolarHBondContact O-N 3.4Å; R397-N400 PolarHBondContact O-N 2.83Å; R397-E401 PolarHBondContact O-N 2.99Å
398E60.6Low51.8Low121 Ų121114 Ų11457%0.56556%0.558SS**Hα-helixtrans-64.2-39178.8-68.6178.8169.700112.6T394 M395 E401T394-E398 PolarHBondContact O-N 3.14Å; M395-E398 PolarHBondContact O-N 2.88Å; E398-E401 PolarHBondContact O-N 3.28Å
399L53.4Low51.2Low53 Ų53117 Ų11728%0.27757%0.567SS.*Hα-helixtrans-74-34177.2-104.6116000113.5M395 R397 E401 Q402 Q404M395-L399 WeakPolarHBondContact O-CB 3.28Å; M395-L399 PolarHBondContact O-N 2.95Å; R397-L399 PolarHBondContact O-N 3.4Å; L399-E401 VanDerWaalsContact C-N 3.27Å; L399-E401 PolarHBondContact O-N 2.97Å; L399-Q402 PolarHBondContact O-N 3.18Å; L399-Q402 VanDerWaalsContact O-N 3.09Å; L399-Q404 HydrophobicContact CD2-CB 4.44Å
400N53.5Low50.8Low112 Ų112117.7 Ų117.760%0.59957%0.57SS**Hα-helixtrans-67-29.1174.2-86.4-32000112.2N396 R397 Q402N396-N400 VanDerWaalsContact O-CB 3.27Å; N396-N400 WeakPolarHBondContact O-CB 3.32Å; N396-N400 PolarHBondContact O-N 3.1Å; N396-N400 PolarHBondContact O-ND2 3.13Å; R397-N400 PolarHBondContact O-N 2.83Å; N400-Q402 PolarHBondContact O-N 3.34Å
401E56.6Low50Low169 Ų169113.8 Ų113.879%0.7956%0.555SS**Hα-helixtrans-69.8-19.8171.7-73.3-178177.600112.8R397 E398 L399R397-E401 PolarHBondContact O-N 2.99Å; E398-E401 PolarHBondContact O-N 3.28Å; L399-E401 VanDerWaalsContact C-N 3.27Å; L399-E401 PolarHBondContact O-N 2.97Å
402Q49.4Very low49.4Very low138 Ų138110.7 Ų110.765%0.64554%0.538SS*.THydrogen-bonded Turntrans-96.510.3-180-68.7-168.3-10.600114.9L399 N400 Q404L399-Q402 PolarHBondContact O-N 3.18Å; L399-Q402 VanDerWaalsContact O-N 3.09Å; N400-Q402 PolarHBondContact O-N 3.34Å; Q402-Q404 PolarHBondContact O-N 3.49Å
403N40.6Very low49.2Very low154 Ų154109.5 Ų109.582%0.82453%0.532SS*.THydrogen-bonded Turntrans54.617.6177-107.5-3.7000114.9I405N403-I405 PolarHBondContact O-N 3.46Å
404Q37.1Very low48.9Very low128 Ų128109 Ų10960%0.59853%0.531SS*.  trans-92.493.1173.5-80.8-173.2-22.500109.2L399 Q402 C406L399-Q404 HydrophobicContact CD2-CB 4.44Å; Q402-Q404 PolarHBondContact O-N 3.49Å; Q404-C406 PolarHBondContact O-N 2.92Å
405I34.5Very low48.4Very low140 Ų140107.8 Ų107.872%0.71852%0.521SS*.  trans-6984.9168.2-56.1172.3000107.6N403 Y407N403-I405 PolarHBondContact O-N 3.46Å; I405-Y407 HydrophobicContact CG2-CD2 4.46Å; I405-Y407 HydrophobicContact CG2-CE2 4.18Å
406C36.1Very low48.5Very low88 Ų88104.8 Ų104.860%0.59551%0.509SS*.  trans-95.6118.1160.9-157.50000106.9Q404 I408Q404-C406 PolarHBondContact O-N 2.92Å; C406-I408 HydrophobicContact CB-CG1 4.26Å; C406-I408 PolarHBondContact O-N 3.39Å
407Y37.5Very low49.1Very low221 Ų221103.7 Ų103.787%0.86750%0.504SS*.  trans-65.279.7171.2-73.1-86.4000109.2I405 Q409I405-Y407 HydrophobicContact CG2-CD2 4.46Å; I405-Y407 HydrophobicContact CG2-CE2 4.18Å; Y407-Q409 PolarHBondContact O-N 2.97Å
408I43.3Very low49.7Very low102 Ų10298.6 Ų98.652%0.52350%0.495SS..  trans-79.4108.8171.2-60.2177.6000106.1C406 K410C406-I408 HydrophobicContact CB-CG1 4.26Å; C406-I408 PolarHBondContact O-N 3.39Å; I408-K410 PolarHBondContact O-N 3.24Å; I408-K410 VanDerWaalsContact O-N 3.14Å
409Q44.6Very low50.3Low130 Ų13095 Ų9561%0.60748%0.476SS*.  trans-45.3120171.2-172.8162.5-5.900109.4Y407 P411Y407-Q409 PolarHBondContact O-N 2.97Å; Q409-P411 VanDerWaalsContact O-N 3.14Å
410K47.3Very low51.3Low86 Ų8692.8 Ų92.837%0.37447%0.465SS..  trans-46119.1-170.9-145.2172.7-174.2168.80109.6D307 T311 I408 D412 I413D307-K410 IonicContact OD2-NZ 3.6Å; T311-K410 HydrophobicContact CG2-CD 4.31Å; I408-K410 PolarHBondContact O-N 3.24Å; I408-K410 VanDerWaalsContact O-N 3.14Å; K410-D412 PolarHBondContact O-N 3.05Å; K410-I413 HydrophobicContact CB-CD1 4Å; K410-I413 HydrophobicContact CB-CG1 4.23Å; K410-I413 WeakPolarHBondContact O-CB 3.35Å; K410-I413 PolarHBondContact O-N 3.49Å
411P43.5Very low52.6Low33 Ų3395.6 Ų95.621%0.21447%0.467CS..Hα-helixtrans-55.4-29.3-174.920.9-33.8000112.9L392 Q409 I413 I414 M415L392-P411 HydrophobicContact CB-CG 4.07Å; L392-P411 HydrophobicContact CD1-CB 3.47Å; L392-P411 VanDerWaalsContact CD1-CB 3.47Å; L392-P411 HydrophobicContact CD1-CG 3.86Å; L392-P411 HydrophobicContact CD2-CB 4.03Å; L392-P411 HydrophobicContact CD2-CG 3.97Å; L392-P411 HydrophobicContact CG-CB 4.23Å; L392-P411 HydrophobicContact CG-CG 4.18Å; Q409-P411 VanDerWaalsContact O-N 3.14Å; P411-I413 PolarHBondContact O-N 3.35Å; P411-I413 VanDerWaalsContact O-N 3.17Å; P411-I414 PolarHBondContact O-N 3.17Å; P411-I414 VanDerWaalsContact O-N 3.13Å; P411-M415 WeakPolarHBondContact O-CB 3.39Å; P411-M415 PolarHBondContact O-N 3.46Å
412D49.5Very low53.8Low41 Ų4189.6 Ų89.622%0.21944%0.444CS..Hα-helixtrans-49.6-38.8172.1-53.4-23.5000113T311 F389 K410 S416T311-D412 HydrophobicContact CG2-CB 4.2Å; F389-D412 WeakPolarHBondContact CD2-OD1 3.29Å; F389-D412 WeakPolarHBondContact CE2-OD1 3.46Å; K410-D412 PolarHBondContact O-N 3.05Å; D412-S416 WeakPolarHBondContact O-CB 3.49Å; D412-S416 PolarHBondContact O-N 2.76Å
413I50.5Low55.5Low26 Ų2683.1 Ų83.113%0.13341%0.414CS..Hα-helixtrans-73.5-41.2-177.1-60170.8000110.7T311 F314 K410 P411 N417T311-I413 HydrophobicContact CG2-CG1 4.09Å; F314-I413 HydrophobicContact CE2-CG2 4.09Å; F314-I413 HydrophobicContact CZ-CG2 4.26Å; K410-I413 HydrophobicContact CB-CD1 4Å; K410-I413 HydrophobicContact CB-CG1 4.23Å; K410-I413 WeakPolarHBondContact O-CB 3.35Å; K410-I413 PolarHBondContact O-N 3.49Å; P411-I413 PolarHBondContact O-N 3.35Å; P411-I413 VanDerWaalsContact O-N 3.17Å; I413-N417 WeakPolarHBondContact O-CB 3.37Å; I413-N417 VanDerWaalsContact O-CG 3.31Å; I413-N417 PolarHBondContact O-N 3.05Å; I413-N417 VanDerWaalsContact O-N 3.1Å; I413-N417 PolarHBondContact O-ND2 3.14Å; I413-N417 VanDerWaalsContact O-ND2 3.12Å
414I53.6Low57.8Low95 Ų9577.3 Ų77.349%0.48738%0.382SS..Hα-helixtrans-70-41.2-179.4-61175.2000110P411 N417 T418P411-I414 PolarHBondContact O-N 3.17Å; P411-I414 VanDerWaalsContact O-N 3.13Å; I414-N417 PolarHBondContact O-N 3.09Å; I414-T418 PolarHBondContact O-N 3.35Å; I414-T418 PolarHBondContact O-OG1 3.1Å
415M51.8Low60.3Low50 Ų5075.4 Ų75.425%0.24638%0.375CS..Hα-helixtrans-67.8-46-179.7-161.9162.267.400111.6D385 P411 N417 T418 Y419D385-M415 HydrophobicContact CB-CE 3.4Å; D385-M415 HydrophobicContact CB-SD 3.76Å; P411-M415 WeakPolarHBondContact O-CB 3.39Å; P411-M415 PolarHBondContact O-N 3.46Å; M415-N417 VanDerWaalsContact C-N 3.35Å; M415-N417 PolarHBondContact O-N 3.31Å; M415-T418 PolarHBondContact O-N 2.98Å; M415-Y419 PolarHBondContact O-N 3.21Å
416S62.6Low63Low31 Ų3172.2 Ų72.222%0.21736%0.356CS..Hα-helixtrans-59.4-41.6173.9178.60000112.7F314 D412 Y419 T420F314-S416 PolarHBondContact O-OG 3.35Å; D412-S416 WeakPolarHBondContact O-CB 3.49Å; D412-S416 PolarHBondContact O-N 2.76Å; S416-Y419 PolarHBondContact O-N 3.13Å; S416-T420 WeakPolarHBondContact O-CB 3.4Å; S416-T420 WeakPolarHBondContact O-CG2 3.42Å; S416-T420 PolarHBondContact O-N 2.89Å; S416-T420 PolarHBondContact O-OG1 3.29Å
417N66.8Low65.7Low62 Ų6268 Ų6833%0.33233%0.328SS..Hα-helixtrans-66.9-36.9176.5-80.3-31.8000112.8F314 I413 I414 M415 T420 R421F314-N417 WeakPolarHBondContact CD1-OD1 2.93Å; I413-N417 WeakPolarHBondContact O-CB 3.37Å; I413-N417 VanDerWaalsContact O-CG 3.31Å; I413-N417 PolarHBondContact O-N 3.05Å; I413-N417 VanDerWaalsContact O-N 3.1Å; I413-N417 PolarHBondContact O-ND2 3.14Å; I413-N417 VanDerWaalsContact O-ND2 3.12Å; I414-N417 PolarHBondContact O-N 3.09Å; M415-N417 VanDerWaalsContact C-N 3.35Å; M415-N417 PolarHBondContact O-N 3.31Å; N417-T420 WeakPolarHBondContact CA-OG1 3.31Å; N417-T420 PolarHBondContact O-OG1 3.27Å; N417-T420 VanDerWaalsContact O-OG1 3.13Å; N417-R421 WeakPolarHBondContact O-CB 3.22Å; N417-R421 PolarHBondContact O-N 3.18Å
418T71Confident68.4Low91 Ų9160.5 Ų60.556%0.55830%0.302SS*.Hα-helixtrans-69.6-42.3178.4-54.40000111.1I414 M415 R421 S422I414-T418 PolarHBondContact O-N 3.35Å; I414-T418 PolarHBondContact O-OG1 3.1Å; M415-T418 PolarHBondContact O-N 2.98Å; T418-R421 PolarHBondContact O-N 3.5Å; T418-S422 WeakPolarHBondContact O-CB 3.43Å; T418-S422 PolarHBondContact O-N 3Å
419Y72.6Confident70.8Confident44 Ų4458.5 Ų58.517%0.17330%0.298CS..Hα-helixtrans-60.4-53.5174.8170.4-116.9000112.3Y377 I381 M415 S416 R421 S422 L423Y377-Y419 HydrophobicContact CD1-CE2 4.12Å; Y377-Y419 HydrophobicContact CE1-CD2 4.32Å; Y377-Y419 AromaticContact CE1-CE2 3.53Å; Y377-Y419 HydrophobicContact CE1-CE2 3.53Å; I381-Y419 HydrophobicContact CD1-CD2 3.39Å; I381-Y419 HydrophobicContact CD1-CE2 3.22Å; I381-Y419 HydrophobicContact CG2-CD2 4.28Å; M415-Y419 PolarHBondContact O-N 3.21Å; S416-Y419 PolarHBondContact O-N 3.13Å; Y419-R421 VanDerWaalsContact C-N 3.27Å; Y419-R421 PolarHBondContact O-N 3.21Å; Y419-S422 WeakPolarHBondContact O-CB 3.34Å; Y419-S422 PolarHBondContact O-N 2.88Å; Y419-L423 WeakPolarHBondContact O-CB 3.27Å; Y419-L423 PolarHBondContact O-N 2.88Å
420T74.3Confident73.2Confident8 Ų854 Ų545%0.04928%0.277CS..Hα-helixtrans-62.5-35.9-179.351.60000111.8F314 S416 N417 Q424F314-T420 WeakPolarHBondContact O-CG2 3.47Å; S416-T420 WeakPolarHBondContact O-CB 3.4Å; S416-T420 WeakPolarHBondContact O-CG2 3.42Å; S416-T420 PolarHBondContact O-N 2.89Å; S416-T420 PolarHBondContact O-OG1 3.29Å; N417-T420 WeakPolarHBondContact CA-OG1 3.31Å; N417-T420 PolarHBondContact O-OG1 3.27Å; N417-T420 VanDerWaalsContact O-OG1 3.13Å; T420-Q424 WeakPolarHBondContact O-CB 3.24Å; T420-Q424 WeakPolarHBondContact O-CG 3.18Å; T420-Q424 PolarHBondContact O-N 3.26Å
421R80.9Confident75.4Confident171 Ų17150.3 Ų50.365%0.64526%0.262SS*.Hα-helixtrans-68-43.2173.7-171.1175.3-176.8-179.2-0112.6N417 T418 Y419 L423 Q424 N425N417-R421 WeakPolarHBondContact O-CB 3.22Å; N417-R421 PolarHBondContact O-N 3.18Å; T418-R421 PolarHBondContact O-N 3.5Å; Y419-R421 VanDerWaalsContact C-N 3.27Å; Y419-R421 PolarHBondContact O-N 3.21Å; R421-L423 VanDerWaalsContact C-N 3.31Å; R421-L423 PolarHBondContact O-N 3.32Å; R421-Q424 PolarHBondContact O-N 3.37Å; R421-N425 WeakPolarHBondContact O-CB 3.49Å; R421-N425 PolarHBondContact O-N 3.27Å; R421-N425 PolarHBondContact O-ND2 2.89Å; R421-N425 PolarHBondContact O-OD1 3.28Å
422S83.5Confident77.9Confident43 Ų4353.9 Ų53.930%0.30128%0.279SS..Hα-helixtrans-58.7-45.2174.8177.60000111.2Y377 T418 Y419 N425 K426Y377-S422 PolarHBondContact OH-OG 3.09Å; T418-S422 WeakPolarHBondContact O-CB 3.43Å; T418-S422 PolarHBondContact O-N 3Å; Y419-S422 WeakPolarHBondContact O-CB 3.34Å; Y419-S422 PolarHBondContact O-N 2.88Å; S422-N425 PolarHBondContact O-N 3.18Å; S422-K426 WeakPolarHBondContact O-CG 3.41Å; S422-K426 PolarHBondContact O-N 3.32Å; S422-K426 VanDerWaalsContact O-N 3.1Å
423L85Confident80.2Confident1 Ų156.8 Ų56.81%0.00529%0.294CS..Hα-helixtrans-59.8-49.6176179.662.8000112.2Y419 R421 N425 K426 W427 W479 S483Y419-L423 WeakPolarHBondContact O-CB 3.27Å; Y419-L423 PolarHBondContact O-N 2.88Å; R421-L423 VanDerWaalsContact C-N 3.31Å; R421-L423 PolarHBondContact O-N 3.32Å; L423-N425 VanDerWaalsContact C-N 3.34Å; L423-N425 PolarHBondContact O-N 2.88Å; L423-K426 PolarHBondContact O-N 2.66Å; L423-W427 HydrophobicContact CD1-CD2 4.49Å; L423-W427 HydrophobicContact CD1-CZ2 3.72Å; L423-W427 VanDerWaalsContact CD1-NE1 3.34Å; L423-W427 HydrophobicContact CD2-CH2 3.79Å; L423-W427 HydrophobicContact CD2-CZ2 3.46Å; L423-W427 VanDerWaalsContact CD2-CZ2 3.46Å; L423-W427 HydrophobicContact CG-CD2 4.19Å; L423-W427 HydrophobicContact CG-CH2 4.02Å; L423-W427 HydrophobicContact CG-CZ2 3.45Å; L423-W427 VanDerWaalsContact CG-CZ2 3.45Å; L423-W427 PolarHBondContact O-N 3.43Å; L423-W479 HydrophobicContact CD1-CD2 4.14Å; L423-W479 HydrophobicContact CD1-CG 4.44Å; L423-W479 HydrophobicContact CD1-CZ2 3.6Å; L423-S483 VanDerWaalsContact CD2-OG 3.28Å; L423-S483 WeakPolarHBondContact CD2-OG 3.3Å
424Q87.7Confident82.3Confident33 Ų3355.6 Ų55.615%0.15429%0.287CS..Hα-helixtrans-60.6-40.7177.4-72169.121.800112.2L320 T420 R421 K426 W427 I428L320-Q424 HydrophobicContact CD2-CB 3.77Å; L320-Q424 HydrophobicContact CD2-CG 3.72Å; T420-Q424 WeakPolarHBondContact O-CB 3.24Å; T420-Q424 WeakPolarHBondContact O-CG 3.18Å; T420-Q424 PolarHBondContact O-N 3.26Å; R421-Q424 PolarHBondContact O-N 3.37Å; Q424-K426 VanDerWaalsContact C-N 3.32Å; Q424-K426 PolarHBondContact O-N 3.28Å; Q424-W427 HydrophobicContact CG-CE3 4.31Å; Q424-W427 HydrophobicContact CG-CZ3 4.41Å; Q424-W427 PolarHBondContact O-N 3.35Å; Q424-I428 VanDerWaalsContact O-CG1 3.29Å; Q424-I428 WeakPolarHBondContact O-CG1 3.47Å; Q424-I428 PolarHBondContact O-N 3.03Å
425N89.6Confident84.4Confident87 Ų8755 Ų5547%0.46528%0.284SS..Hα-helixtrans-62-39.7176.6-71.6-13.5000112R421 S422 L423 S429R421-N425 WeakPolarHBondContact O-CB 3.49Å; R421-N425 PolarHBondContact O-N 3.27Å; R421-N425 PolarHBondContact O-ND2 2.89Å; R421-N425 PolarHBondContact O-OD1 3.28Å; S422-N425 PolarHBondContact O-N 3.18Å; L423-N425 VanDerWaalsContact C-N 3.34Å; L423-N425 PolarHBondContact O-N 2.88Å; N425-S429 WeakPolarHBondContact O-CB 3.49Å; N425-S429 PolarHBondContact O-N 3.41Å; N425-S429 PolarHBondContact O-OG 2.83Å
426K91Very high86.5Confident73 Ų7359.1 Ų59.132%0.31731%0.307SS..Hα-helixtrans-65.6-42.5174.9-67.9-179.3-171.5178.40111.3Y377 S422 L423 Q424 S429 I430 W479Y377-K426 PolarHBondContact OH-NZ 3.4Å; S422-K426 WeakPolarHBondContact O-CG 3.41Å; S422-K426 PolarHBondContact O-N 3.32Å; S422-K426 VanDerWaalsContact O-N 3.1Å; L423-K426 PolarHBondContact O-N 2.66Å; Q424-K426 VanDerWaalsContact C-N 3.32Å; Q424-K426 PolarHBondContact O-N 3.28Å; K426-S429 PolarHBondContact O-N 3.15Å; K426-I430 WeakPolarHBondContact O-CG1 3.29Å; K426-I430 PolarHBondContact O-N 2.82Å; K426-W479 HydrophobicContact CB-CH2 3.94Å; K426-W479 HydrophobicContact CB-CZ3 4.09Å; K426-W479 HydrophobicContact CD-CH2 3.52Å; K426-W479 HydrophobicContact CD-CZ2 4.15Å; K426-W479 HydrophobicContact CD-CZ3 4.4Å; K426-W479 HydrophobicContact CG-CH2 4.35Å
427W93.5Very high88.2Confident0 Ų058.4 Ų58.40%030%0.302CS..Hα-helixtrans-61.8-44.5175.6-64.4-13.9000112.9P316 L324 L423 Q424 S429 I430 S431 L476 W479 I480P316-W427 HydrophobicContact CB-CH2 3.75Å; P316-W427 HydrophobicContact CB-CZ3 3.9Å; P316-W427 HydrophobicContact CG-CH2 4.26Å; L324-W427 HydrophobicContact CD1-CB 3.67Å; L324-W427 HydrophobicContact CD1-CE3 4.37Å; L423-W427 HydrophobicContact CD1-CD2 4.49Å; L423-W427 HydrophobicContact CD1-CZ2 3.72Å; L423-W427 VanDerWaalsContact CD1-NE1 3.34Å; L423-W427 HydrophobicContact CD2-CH2 3.79Å; L423-W427 HydrophobicContact CD2-CZ2 3.46Å; L423-W427 VanDerWaalsContact CD2-CZ2 3.46Å; L423-W427 HydrophobicContact CG-CD2 4.19Å; L423-W427 HydrophobicContact CG-CH2 4.02Å; L423-W427 HydrophobicContact CG-CZ2 3.45Å; L423-W427 VanDerWaalsContact CG-CZ2 3.45Å; L423-W427 PolarHBondContact O-N 3.43Å; Q424-W427 HydrophobicContact CG-CE3 4.31Å; Q424-W427 HydrophobicContact CG-CZ3 4.41Å; Q424-W427 PolarHBondContact O-N 3.35Å; W427-S429 VanDerWaalsContact C-N 3.32Å; W427-S429 PolarHBondContact O-N 2.85Å; W427-I430 PolarHBondContact O-N 2.89Å; W427-S431 WeakPolarHBondContact O-CB 3.48Å; W427-S431 PolarHBondContact O-N 3.49Å; W427-S431 PolarHBondContact O-OG 3.06Å; W427-L476 HydrophobicContact CB-CD1 3.79Å; W427-L476 HydrophobicContact CG-CD1 4.03Å; W427-W479 AromaticContact CD1-CD2 3.86Å; W427-W479 AromaticContact CD1-CE3 3.9Å; W427-W479 AromaticContact NE1-CD1 3.65Å; W427-W479 AromaticContact NE1-CD2 3.42Å; W427-W479 AromaticContact NE1-CE2 3.86Å; W427-W479 AromaticContact NE1-CE3 3.95Å; W427-W479 AromaticContact NE1-CG 3.32Å; W427-W479 VanDerWaalsContact NE1-CG 3.32Å; W427-W479 AromaticContact NE1-NE1 3.96Å; W427-I480 HydrophobicContact CD2-CG1 3.81Å; W427-I480 HydrophobicContact CE3-CG1 4.04Å; W427-I480 HydrophobicContact CG-CG1 4.27Å; W427-I480 HydrophobicContact CH2-CG1 4.29Å; W427-I480 HydrophobicContact CZ2-CB 4.45Å; W427-I480 HydrophobicContact CZ2-CG1 4.05Å; W427-I480 HydrophobicContact CZ3-CG1 4.28Å
428I94Very high89.7Confident63 Ų6356.3 Ų56.332%0.32329%0.291SS..Hα-helixtrans-61.8-43.7175.6-68.5166.1000109.8L320 Q424 S431 L432L320-I428 HydrophobicContact CD1-CG1 4.44Å; L320-I428 HydrophobicContact CD2-CD1 4.08Å; L320-I428 HydrophobicContact CD2-CG1 4.43Å; Q424-I428 VanDerWaalsContact O-CG1 3.29Å; Q424-I428 WeakPolarHBondContact O-CG1 3.47Å; Q424-I428 PolarHBondContact O-N 3.03Å; I428-S431 WeakPolarHBondContact O-CB 3.31Å; I428-S431 PolarHBondContact O-N 3.49Å; I428-L432 HydrophobicContact CG2-CD1 3.92Å; I428-L432 HydrophobicContact CG2-CG 4.27Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.22Å; I428-L432 PolarHBondContact O-N 3.26Å
429S94.2Very high90.9Very high61 Ų6154.9 Ų54.943%0.42729%0.289SS..Hα-helixtrans-61.8-46.1179.1-62.60000112.2N425 K426 W427 S431 L432 I433N425-S429 WeakPolarHBondContact O-CB 3.49Å; N425-S429 PolarHBondContact O-N 3.41Å; N425-S429 PolarHBondContact O-OG 2.83Å; K426-S429 PolarHBondContact O-N 3.15Å; W427-S429 VanDerWaalsContact C-N 3.32Å; W427-S429 PolarHBondContact O-N 2.85Å; S429-S431 VanDerWaalsContact C-N 3.3Å; S429-S431 PolarHBondContact O-N 3.25Å; S429-L432 PolarHBondContact O-N 3.07Å; S429-I433 WeakPolarHBondContact O-CD1 3.4Å; S429-I433 VanDerWaalsContact O-CG1 3.23Å; S429-I433 WeakPolarHBondContact O-CG1 3.23Å; S429-I433 PolarHBondContact O-N 3Å
430I93.8Very high92.1Very high34 Ų3456 Ų5617%0.17429%0.293CS..Hα-helixtrans-61.9-40.5175.4-66.8168000110.7K426 W427 I433 S434 L472 L476 W479K426-I430 WeakPolarHBondContact O-CG1 3.29Å; K426-I430 PolarHBondContact O-N 2.82Å; W427-I430 PolarHBondContact O-N 2.89Å; I430-I433 PolarHBondContact O-N 3.38Å; I430-S434 PolarHBondContact O-N 2.87Å; I430-S434 PolarHBondContact O-OG 3.06Å; I430-L472 HydrophobicContact CG2-CD2 4.11Å; I430-L476 HydrophobicContact CB-CD1 4.33Å; I430-L476 HydrophobicContact CG2-CB 3.98Å; I430-L476 HydrophobicContact CG2-CD1 4.34Å; I430-L476 HydrophobicContact CG2-CD2 4.42Å; I430-L476 HydrophobicContact CG2-CG 4.47Å; I430-W479 HydrophobicContact CD1-CE3 3.94Å; I430-W479 HydrophobicContact CD1-CZ3 3.82Å
431S95Very high93.2Very high10 Ų1055.6 Ų55.67%0.0729%0.291CS..Hα-helixtrans-63.6-43.9177.9-54.10000111.6L324 W427 I428 S429 S434 L435 L476L324-S431 WeakPolarHBondContact CD2-OG 3.18Å; W427-S431 WeakPolarHBondContact O-CB 3.48Å; W427-S431 PolarHBondContact O-N 3.49Å; W427-S431 PolarHBondContact O-OG 3.06Å; I428-S431 WeakPolarHBondContact O-CB 3.31Å; I428-S431 PolarHBondContact O-N 3.49Å; S429-S431 VanDerWaalsContact C-N 3.3Å; S429-S431 PolarHBondContact O-N 3.25Å; S431-S434 WeakPolarHBondContact CA-OG 3.41Å; S431-S434 PolarHBondContact O-N 3.08Å; S431-S434 PolarHBondContact O-OG 2.93Å; S431-L435 PolarHBondContact O-N 3.4Å; S431-L476 WeakPolarHBondContact OG-CD2 3.27Å
432L95.7Very high93.9Very high107 Ų10749.3 Ų49.356%0.5627%0.271SS*.Hα-helixtrans-64.8-41.9176-70173.7000111.8I428 S429 S434 L435I428-L432 HydrophobicContact CG2-CD1 3.92Å; I428-L432 HydrophobicContact CG2-CG 4.27Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.22Å; I428-L432 PolarHBondContact O-N 3.26Å; S429-L432 PolarHBondContact O-N 3.07Å; L432-S434 VanDerWaalsContact C-N 3.29Å; L432-S434 PolarHBondContact O-N 3.32Å; L432-L435 HydrophobicContact CD2-CD1 4.09Å; L432-L435 WeakPolarHBondContact O-CB 3.36Å; L432-L435 PolarHBondContact O-N 3.45Å
433I96.2Very high94.6Very high103 Ų10353.1 Ų53.153%0.52828%0.28SS..Hα-helixtrans-61.2-39.6175.4-68.7164.5000110.7S429 I430 L435 L436 P437 L472S429-I433 WeakPolarHBondContact O-CD1 3.4Å; S429-I433 VanDerWaalsContact O-CG1 3.23Å; S429-I433 WeakPolarHBondContact O-CG1 3.23Å; S429-I433 PolarHBondContact O-N 3Å; I430-I433 PolarHBondContact O-N 3.38Å; I433-L435 PolarHBondContact O-N 3.25Å; I433-L436 PolarHBondContact O-N 3.32Å; I433-P437 VanDerWaalsContact O-CD 3.22Å; I433-P437 WeakPolarHBondContact O-CD 3.44Å; I433-L472 HydrophobicContact CG2-CD1 4.08Å; I433-L472 HydrophobicContact CG2-CD2 4.23Å
434S96Very high95.1Very high0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-65.5-20.617965.70000114.5Y327 I430 S431 L432 L436 P437 V438 F473Y327-S434 PolarHBondContact OH-OG 3.15Å; I430-S434 PolarHBondContact O-N 2.87Å; I430-S434 PolarHBondContact O-OG 3.06Å; S431-S434 WeakPolarHBondContact CA-OG 3.41Å; S431-S434 PolarHBondContact O-N 3.08Å; S431-S434 PolarHBondContact O-OG 2.93Å; L432-S434 VanDerWaalsContact C-N 3.29Å; L432-S434 PolarHBondContact O-N 3.32Å; S434-L436 VanDerWaalsContact C-N 3.27Å; S434-L436 PolarHBondContact O-N 3.34Å; S434-P437 VanDerWaalsContact O-CD 3.3Å; S434-P437 WeakPolarHBondContact O-CD 3.42Å; S434-P437 WeakPolarHBondContact O-CG 3.29Å; S434-V438 WeakPolarHBondContact O-CB 3.5Å; S434-V438 WeakPolarHBondContact O-CG2 3.38Å; S434-V438 PolarHBondContact O-N 3.49Å; S434-F473 WeakPolarHBondContact OG-CE1 3.44Å
435L96.7Very high95.5Very high82 Ų8251.5 Ų51.543%0.42927%0.272SS..Hα-helixtrans-64.5-31.2176.4-67.4170.8000112.7Y327 S431 L432 I433 A439Y327-L435 HydrophobicContact CE2-CD2 4Å; Y327-L435 WeakPolarHBondContact OH-CD2 3.36Å; S431-L435 PolarHBondContact O-N 3.4Å; L432-L435 HydrophobicContact CD2-CD1 4.09Å; L432-L435 WeakPolarHBondContact O-CB 3.36Å; L432-L435 PolarHBondContact O-N 3.45Å; I433-L435 PolarHBondContact O-N 3.25Å; L435-A439 VanDerWaalsContact O-CB 3.28Å; L435-A439 WeakPolarHBondContact O-CB 3.2Å; L435-A439 PolarHBondContact O-N 2.83Å
436L97.1Very high95.8Very high137 Ų13750.6 Ų50.672%0.71727%0.272SS*.Hα-helixtrans-64.2-57.8-178.6179.366.9000112.8I433 S434 V438 A439 Y440I433-L436 PolarHBondContact O-N 3.32Å; S434-L436 VanDerWaalsContact C-N 3.27Å; S434-L436 PolarHBondContact O-N 3.34Å; L436-V438 VanDerWaalsContact C-N 3.28Å; L436-V438 PolarHBondContact O-N 3.49Å; L436-A439 PolarHBondContact O-N 2.74Å; L436-Y440 PolarHBondContact O-N 3.48Å; L436-Y440 VanDerWaalsContact O-N 3.08Å
437P97.6Very high95.9Very high17 Ų1748.5 Ų48.511%0.1127%0.267CS..Hα-helixtrans-67.7-3017830.2-37.5000111.9I433 S434 Y440 V441 A465 A468 I469 L472I433-P437 VanDerWaalsContact O-CD 3.22Å; I433-P437 WeakPolarHBondContact O-CD 3.44Å; S434-P437 VanDerWaalsContact O-CD 3.3Å; S434-P437 WeakPolarHBondContact O-CD 3.42Å; S434-P437 WeakPolarHBondContact O-CG 3.29Å; P437-Y440 PolarHBondContact O-N 2.94Å; P437-V441 PolarHBondContact O-N 3.19Å; P437-A465 HydrophobicContact CB-CB 4.38Å; P437-A468 HydrophobicContact CB-CB 4.31Å; P437-A468 HydrophobicContact CG-CB 4.38Å; P437-I469 HydrophobicContact CB-CD1 4.34Å; P437-I469 HydrophobicContact CB-CG1 3.83Å; P437-I469 HydrophobicContact CG-CG1 3.94Å; P437-L472 HydrophobicContact CG-CD1 4.22Å
438V97.6Very high96Very high18 Ų1848.8 Ų48.811%0.10927%0.269CS..Hα-helixtrans-60.4-50172.4166.10000111.4L336 S434 L436 Y440 V441 V442 I469 F473L336-V438 HydrophobicContact CD1-CG2 3.91Å; L336-V438 HydrophobicContact CD2-CG1 4.27Å; S434-V438 WeakPolarHBondContact O-CB 3.5Å; S434-V438 WeakPolarHBondContact O-CG2 3.38Å; S434-V438 PolarHBondContact O-N 3.49Å; L436-V438 VanDerWaalsContact C-N 3.28Å; L436-V438 PolarHBondContact O-N 3.49Å; V438-Y440 PolarHBondContact O-N 3.06Å; V438-V441 VanDerWaalsContact O-CG2 3.28Å; V438-V441 WeakPolarHBondContact O-CG2 3.36Å; V438-V441 PolarHBondContact O-N 2.9Å; V438-V442 VanDerWaalsContact O-CG2 3.27Å; V438-V442 WeakPolarHBondContact O-CG2 3.49Å; V438-V442 PolarHBondContact O-N 2.79Å; V438-V442 VanDerWaalsContact O-N 3.11Å; V438-I469 HydrophobicContact CG2-CD1 4.24Å; V438-I469 HydrophobicContact CG2-CG1 4.08Å; V438-F473 HydrophobicContact CG2-CE2 4.28Å; V438-F473 HydrophobicContact CG2-CZ 3.87Å
439A97.5Very high95.9Very high61 Ų6147.4 Ų47.450%0.50426%0.264SS..Hα-helixtrans-60.4-38.3176.900000111.4L435 L436 V442 Y443L435-A439 VanDerWaalsContact O-CB 3.28Å; L435-A439 WeakPolarHBondContact O-CB 3.2Å; L435-A439 PolarHBondContact O-N 2.83Å; L436-A439 PolarHBondContact O-N 2.74Å; A439-V442 PolarHBondContact O-N 3.42Å; A439-Y443 WeakPolarHBondContact O-CB 3.4Å; A439-Y443 PolarHBondContact O-N 2.61Å
440Y97.3Very high95.7Very high67 Ų6749.3 Ų49.326%0.26327%0.27SS..Hα-helixtrans-65-47177.9-177.1-112.3000113.2L436 P437 V438 V442 Y443 L444 S461 A465L436-Y440 PolarHBondContact O-N 3.48Å; L436-Y440 VanDerWaalsContact O-N 3.08Å; P437-Y440 PolarHBondContact O-N 2.94Å; V438-Y440 PolarHBondContact O-N 3.06Å; Y440-V442 VanDerWaalsContact C-N 3.3Å; Y440-V442 PolarHBondContact O-N 3.15Å; Y440-Y443 HydrophobicContact CD2-CD1 4.33Å; Y440-Y443 HydrophobicContact CE2-CD1 4.37Å; Y440-Y443 WeakPolarHBondContact O-CB 3.49Å; Y440-Y443 PolarHBondContact O-N 3.41Å; Y440-L444 HydrophobicContact CD1-CD1 4.05Å; Y440-L444 HydrophobicContact CD1-CG 4.43Å; Y440-L444 HydrophobicContact CE1-CD1 3.52Å; Y440-L444 HydrophobicContact CE1-CG 4.07Å; Y440-L444 HydrophobicContact CE2-CD2 4.28Å; Y440-L444 HydrophobicContact CE2-CG 4.32Å; Y440-L444 WeakPolarHBondContact O-CG 3.27Å; Y440-L444 PolarHBondContact O-N 3.41Å; Y440-S461 WeakPolarHBondContact OH-CB 3.34Å; Y440-S461 PolarHBondContact OH-OG 3.38Å; Y440-A465 HydrophobicContact CD1-CB 3.67Å; Y440-A465 HydrophobicContact CE1-CB 4.16Å
441V97.1Very high95.5Very high0 Ų048.8 Ų48.80%027%0.268CS..Hα-helixtrans-68.2-30.7178.4-61.40000112.5L336 P437 V438 L444 A445 A465 W466 I469L336-V441 HydrophobicContact CD2-CG2 3.95Å; P437-V441 PolarHBondContact O-N 3.19Å; V438-V441 VanDerWaalsContact O-CG2 3.28Å; V438-V441 WeakPolarHBondContact O-CG2 3.36Å; V438-V441 PolarHBondContact O-N 2.9Å; V441-L444 PolarHBondContact O-N 2.9Å; V441-A445 WeakPolarHBondContact O-CB 3.5Å; V441-A445 PolarHBondContact O-N 3.42Å; V441-A465 HydrophobicContact CG1-CB 3.72Å; V441-W466 HydrophobicContact CB-CZ2 4.19Å; V441-W466 HydrophobicContact CG1-CD2 4.45Å; V441-W466 HydrophobicContact CG1-CG 4.48Å; V441-W466 HydrophobicContact CG1-CZ2 4.41Å; V441-W466 HydrophobicContact CG2-CZ2 4.25Å; V441-I469 HydrophobicContact CB-CD1 4.27Å; V441-I469 HydrophobicContact CG1-CD1 3.71Å; V441-I469 HydrophobicContact CG2-CD1 3.52Å
442V96.8Very high95.3Very high39 Ų3949.6 Ų49.624%0.23627%0.274CS..Hα-helixtrans-66.5-42.5171.8173.20000110.9F335 L336 I339 V438 A439 Y440 A445 S446F335-V442 HydrophobicContact CE1-CG2 3.59Å; F335-V442 HydrophobicContact CZ-CG2 4.02Å; L336-V442 HydrophobicContact CD2-CG2 4.39Å; I339-V442 HydrophobicContact CD1-CG2 3.84Å; V438-V442 VanDerWaalsContact O-CG2 3.27Å; V438-V442 WeakPolarHBondContact O-CG2 3.49Å; V438-V442 PolarHBondContact O-N 2.79Å; V438-V442 VanDerWaalsContact O-N 3.11Å; A439-V442 PolarHBondContact O-N 3.42Å; Y440-V442 VanDerWaalsContact C-N 3.3Å; Y440-V442 PolarHBondContact O-N 3.15Å; V442-A445 PolarHBondContact O-N 3.41Å; V442-S446 WeakPolarHBondContact O-CB 3.49Å; V442-S446 PolarHBondContact O-N 3.13Å; V442-S446 PolarHBondContact O-OG 3.15Å
443Y96.6Very high94.6Very high122 Ų12255.1 Ų55.148%0.47829%0.289SS..Hα-helixtrans-60.6-43.8172.5165.8-105.6000112.1A439 Y440 S446 S447 P452A439-Y443 WeakPolarHBondContact O-CB 3.4Å; A439-Y443 PolarHBondContact O-N 2.61Å; Y440-Y443 HydrophobicContact CD2-CD1 4.33Å; Y440-Y443 HydrophobicContact CE2-CD1 4.37Å; Y440-Y443 WeakPolarHBondContact O-CB 3.49Å; Y440-Y443 PolarHBondContact O-N 3.41Å; Y443-S446 PolarHBondContact O-N 2.79Å; Y443-S447 WeakPolarHBondContact O-CB 3.48Å; Y443-S447 PolarHBondContact O-N 3.14Å; Y443-S447 PolarHBondContact O-OG 3.35Å; Y443-P452 HydrophobicContact CE1-CG 3.68Å; Y443-P452 WeakPolarHBondContact OH-CG 3.49Å
444L96.2Very high94.1Very high1 Ų154.6 Ų54.61%0.00529%0.286CS..Hα-helixtrans-61.5-47.2175.6-70.6-177.9000111.9Y347 Y440 V441 S446 S447 S448 P452 A462Y347-L444 HydrophobicContact CE2-CD1 4.36Å; Y347-L444 HydrophobicContact CE2-CD2 4.09Å; Y440-L444 HydrophobicContact CD1-CD1 4.05Å; Y440-L444 HydrophobicContact CD1-CG 4.43Å; Y440-L444 HydrophobicContact CE1-CD1 3.52Å; Y440-L444 HydrophobicContact CE1-CG 4.07Å; Y440-L444 HydrophobicContact CE2-CD2 4.28Å; Y440-L444 HydrophobicContact CE2-CG 4.32Å; Y440-L444 WeakPolarHBondContact O-CG 3.27Å; Y440-L444 PolarHBondContact O-N 3.41Å; V441-L444 PolarHBondContact O-N 2.9Å; L444-S446 VanDerWaalsContact C-N 3.3Å; L444-S446 PolarHBondContact O-N 3.43Å; L444-S447 PolarHBondContact O-N 3.33Å; L444-S447 VanDerWaalsContact O-N 3.15Å; L444-S448 PolarHBondContact O-N 3.2Å; L444-P452 HydrophobicContact CD2-CG 4.4Å; L444-A462 HydrophobicContact CD1-CB 3.69Å
445A96.4Very high93.5Very high0 Ų056.5 Ų56.50%031%0.306CS..Hα-helixtrans-59-42.7175.500000111.5I339 V441 V442 S447 S448 F522I339-A445 HydrophobicContact CB-CB 4.14Å; I339-A445 HydrophobicContact CD1-CB 4.03Å; I339-A445 HydrophobicContact CG1-CB 4.49Å; V441-A445 WeakPolarHBondContact O-CB 3.5Å; V441-A445 PolarHBondContact O-N 3.42Å; V442-A445 PolarHBondContact O-N 3.41Å; A445-S447 VanDerWaalsContact C-N 3.26Å; A445-S447 PolarHBondContact O-N 3.05Å; A445-S448 WeakPolarHBondContact O-CB 3.08Å; A445-S448 PolarHBondContact O-N 3.11Å; A445-S448 VanDerWaalsContact O-N 3.11Å; A445-F522 HydrophobicContact CB-CD1 3.81Å; A445-F522 HydrophobicContact CB-CE1 3.77Å; A445-F522 HydrophobicContact CB-CZ 4.47Å; A445-F522 VanDerWaalsContact O-CD1 3.25Å; A445-F522 WeakPolarHBondContact O-CD1 3.2Å
446S95.4Very high92.8Very high67 Ų6755.6 Ų55.647%0.46932%0.316SS..Hα-helixtrans-67.2-26.5178.8-53.50000113V442 Y443 L444 S448V442-S446 WeakPolarHBondContact O-CB 3.49Å; V442-S446 PolarHBondContact O-N 3.13Å; V442-S446 PolarHBondContact O-OG 3.15Å; Y443-S446 PolarHBondContact O-N 2.79Å; L444-S446 VanDerWaalsContact C-N 3.3Å; L444-S446 PolarHBondContact O-N 3.43Å; S446-S448 VanDerWaalsContact C-N 3.3Å
447S94Very high92.5Very high29 Ų2955.7 Ų55.720%0.20331%0.312CS..THydrogen-bonded Turntrans-83.2-7.1175.9-54.70000112.7Y443 L444 A445 N450Y443-S447 WeakPolarHBondContact O-CB 3.48Å; Y443-S447 PolarHBondContact O-N 3.14Å; Y443-S447 PolarHBondContact O-OG 3.35Å; L444-S447 PolarHBondContact O-N 3.33Å; L444-S447 VanDerWaalsContact O-N 3.15Å; A445-S447 VanDerWaalsContact C-N 3.26Å; A445-S447 PolarHBondContact O-N 3.05Å; S447-N450 CarbonylContact O-C 3.57Å; S447-N450 PolarHBondContact O-N 3.01Å; S447-N450 VanDerWaalsContact O-O 3.04Å
448S93.7Very high92.2Very high7 Ų754.9 Ų54.95%0.04931%0.306CS..THydrogen-bonded Turntrans-64131.9175.6-170.50000110.9W47 Y342 L444 A445 S446 K523W47-S448 WeakPolarHBondContact CZ3-OG 3.24Å; Y342-S448 WeakPolarHBondContact O-CB 3.46Å; L444-S448 PolarHBondContact O-N 3.2Å; A445-S448 WeakPolarHBondContact O-CB 3.08Å; A445-S448 PolarHBondContact O-N 3.11Å; A445-S448 VanDerWaalsContact O-N 3.11Å; S446-S448 VanDerWaalsContact C-N 3.3Å; S448-K523 CarbonylContact C-O 3.6Å; S448-K523 WeakPolarHBondContact CB-O 3.48Å; S448-K523 PolarHBondContact OG-O 3.14Å
449P92.1Very high92Very high34 Ų3455.4 Ų55.422%0.22131%0.311CS..THydrogen-bonded Turncis-97-0.221.638-32.7000114.8P451 K525P449-P451 VanDerWaalsContact C-CD 3.47Å; P449-P451 WeakPolarHBondContact O-CD 3.2Å; P449-K525 HydrophobicContact CB-CB 4.13Å
450N90.8Very high91.9Very high100 Ų10054.6 Ų54.654%0.53530%0.304SS..SBendtrans-114.773.5-173.4-63-38.9000109.6S447S447-N450 CarbonylContact O-C 3.57Å; S447-N450 PolarHBondContact O-N 3.01Å; S447-N450 VanDerWaalsContact O-O 3.04Å
451P90.2Very high91.9Very high23 Ų2352.1 Ų52.115%0.14930%0.296CS..  trans-65.4159.8-177.533.1-37.9000110A346 Y347 P449 Y453A346-P451 HydrophobicContact CB-CB 4.44Å; A346-P451 HydrophobicContact CB-CG 3.84Å; Y347-P451 HydrophobicContact CD1-CB 4.45Å; Y347-P451 HydrophobicContact CD1-CG 3.89Å; Y347-P451 HydrophobicContact CD2-CB 4.34Å; Y347-P451 HydrophobicContact CD2-CG 4.31Å; Y347-P451 HydrophobicContact CE1-CB 3.88Å; Y347-P451 HydrophobicContact CE1-CG 3.72Å; Y347-P451 HydrophobicContact CE2-CB 3.78Å; Y347-P451 HydrophobicContact CE2-CG 4.18Å; Y347-P451 HydrophobicContact CG-CG 4.17Å; P449-P451 VanDerWaalsContact C-CD 3.47Å; P449-P451 WeakPolarHBondContact O-CD 3.2Å; P451-Y453 PolarHBondContact O-N 3.38Å; P451-Y453 VanDerWaalsContact O-N 3.15Å
452P90.2Very high91.8Very high28 Ų2852.1 Ų52.118%0.18230%0.296CS..  trans-51.3123.1-178.5-26.433.3000112.3Y347 Y443 L444 L454Y347-P452 PolarHBondContact OH-O 3.29Å; Y443-P452 HydrophobicContact CE1-CG 3.68Å; Y443-P452 WeakPolarHBondContact OH-CG 3.49Å; L444-P452 HydrophobicContact CD2-CG 4.4Å; P452-L454 HydrophobicContact CB-CD1 4.43Å; P452-L454 HydrophobicContact CB-CG 4.41Å; P452-L454 PolarHBondContact O-N 2.93Å
453Y81.9Confident91.8Very high222 Ų22251.3 Ų51.387%0.87129%0.29SS*.  trans-77.194.3-179.2-171.2-98.2000110.2P451P451-Y453 PolarHBondContact O-N 3.38Å; P451-Y453 VanDerWaalsContact O-N 3.15Å
454L84.3Confident91.9Very high92 Ų9250.9 Ų50.948%0.48230%0.296SS..  trans-119.525.9178.1-60.8173.9000111.2P452 F457P452-L454 HydrophobicContact CB-CD1 4.43Å; P452-L454 HydrophobicContact CB-CG 4.41Å; P452-L454 PolarHBondContact O-N 2.93Å; L454-F457 HydrophobicContact CB-CB 4.17Å; L454-F457 HydrophobicContact CB-CD1 4.17Å; L454-F457 HydrophobicContact CD1-CD1 3.91Å; L454-F457 HydrophobicContact CD1-CE1 4.38Å; L454-F457 VanDerWaalsContact O-CB 3.28Å; L454-F457 WeakPolarHBondContact O-CB 3.24Å; L454-F457 PolarHBondContact O-N 3.3Å
455G83Confident91.9Very high41 Ų4151.3 Ų51.342%0.42330%0.299SS..THydrogen-bonded Turntrans55-141.5-169.500000111.5F457 G458G455-F457 PolarHBondContact O-N 2.86Å; G455-F457 VanDerWaalsContact O-N 3.16Å; G455-G458 PolarHBondContact O-N 3.03Å
456G83.2Confident92Very high62 Ų6251.5 Ų51.564%0.63930%0.3SS*.Hα-helixtrans-64.1-16.517800000114.7G458 A460G456-G458 VanDerWaalsContact C-N 3.31Å; G456-G458 PolarHBondContact O-N 2.97Å; G456-A460 PolarHBondContact O-N 3.34Å
457F91Very high92.1Very high140 Ų14049.9 Ų49.961%0.61429%0.286SS*.Hα-helixtrans-65.9-34.7178.1-174.9-96.3000111.9L454 G455 A460 S461L454-F457 HydrophobicContact CB-CB 4.17Å; L454-F457 HydrophobicContact CB-CD1 4.17Å; L454-F457 HydrophobicContact CD1-CD1 3.91Å; L454-F457 HydrophobicContact CD1-CE1 4.38Å; L454-F457 VanDerWaalsContact O-CB 3.28Å; L454-F457 WeakPolarHBondContact O-CB 3.24Å; L454-F457 PolarHBondContact O-N 3.3Å; G455-F457 PolarHBondContact O-N 2.86Å; G455-F457 VanDerWaalsContact O-N 3.16Å; F457-A460 PolarHBondContact O-N 3.44Å; F457-S461 WeakPolarHBondContact O-CB 3.31Å; F457-S461 PolarHBondContact O-N 3.48Å; F457-S461 PolarHBondContact O-OG 3.48Å; F457-S461 VanDerWaalsContact O-OG 3.05Å
458G91.5Very high92.3Very high0 Ų050.2 Ų50.20%029%0.29CS..Hα-helixtrans-63.8-44.1179.100000112.9Y347 G455 G456 S461 A462Y347-G458 WeakPolarHBondContact CE2-O 3.43Å; Y347-G458 VanDerWaalsContact CZ-C 3.47Å; G455-G458 PolarHBondContact O-N 3.03Å; G456-G458 VanDerWaalsContact C-N 3.31Å; G456-G458 PolarHBondContact O-N 2.97Å; G458-S461 PolarHBondContact O-OG 3.19Å; G458-A462 WeakPolarHBondContact O-CB 3.4Å; G458-A462 PolarHBondContact O-N 2.81Å; G458-A462 VanDerWaalsContact O-N 3.14Å
459S93.3Very high92.5Very high29 Ų2949.9 Ų49.920%0.20329%0.288CS..Hα-helixtrans-62.9-45.7173.8-56.10000111.6T351 A462 I463T351-S459 WeakPolarHBondContact OG1-CB 3.45Å; T351-S459 PolarHBondContact OG1-OG 3.01Å; S459-A462 PolarHBondContact O-N 3.36Å; S459-I463 WeakPolarHBondContact O-CD1 3.42Å; S459-I463 VanDerWaalsContact O-CG1 3.3Å; S459-I463 WeakPolarHBondContact O-CG1 3.43Å; S459-I463 PolarHBondContact O-N 3.43Å; S459-I463 VanDerWaalsContact O-N 3.13Å
460A95.7Very high92.6Very high43 Ų4350.3 Ų50.336%0.35529%0.285SS..Hα-helixtrans-64.3-43.2-17900000112.3G456 F457 I463 L464G456-A460 PolarHBondContact O-N 3.34Å; F457-A460 PolarHBondContact O-N 3.44Å; A460-I463 PolarHBondContact O-N 3.38Å; A460-L464 WeakPolarHBondContact O-CB 3.45Å; A460-L464 VanDerWaalsContact O-CG 3.28Å; A460-L464 WeakPolarHBondContact O-CG 3.04Å; A460-L464 PolarHBondContact O-N 3.39Å
461S95.5Very high92.9Very high15 Ų1546.5 Ų46.511%0.10527%0.266CS..Hα-helixtrans-66.4-37.2178.861.90000112.2Y440 F457 G458 L464 A465Y440-S461 WeakPolarHBondContact OH-CB 3.34Å; Y440-S461 PolarHBondContact OH-OG 3.38Å; F457-S461 WeakPolarHBondContact O-CB 3.31Å; F457-S461 PolarHBondContact O-N 3.48Å; F457-S461 PolarHBondContact O-OG 3.48Å; F457-S461 VanDerWaalsContact O-OG 3.05Å; G458-S461 PolarHBondContact O-OG 3.19Å; S461-L464 PolarHBondContact O-N 3.05Å; S461-A465 VanDerWaalsContact O-CB 3.3Å; S461-A465 WeakPolarHBondContact O-CB 3.41Å; S461-A465 PolarHBondContact O-N 3.03Å
462A96.2Very high93.2Very high0 Ų047.1 Ų47.10%027%0.268CS..Hα-helixtrans-60.8-48.2173.300000111.4Y347 T351 L444 G458 S459 A465 W466Y347-A462 HydrophobicContact CD2-CB 4.1Å; Y347-A462 HydrophobicContact CE2-CB 4.11Å; T351-A462 HydrophobicContact CG2-CB 4.46Å; L444-A462 HydrophobicContact CD1-CB 3.69Å; G458-A462 WeakPolarHBondContact O-CB 3.4Å; G458-A462 PolarHBondContact O-N 2.81Å; G458-A462 VanDerWaalsContact O-N 3.14Å; S459-A462 PolarHBondContact O-N 3.36Å; A462-A465 PolarHBondContact O-N 3.26Å; A462-W466 VanDerWaalsContact O-CD1 3.25Å; A462-W466 PolarHBondContact O-N 3.35Å; A462-W466 VanDerWaalsContact O-N 3.15Å
463I97.3Very high93.4Very high22 Ų2245.9 Ų45.911%0.11326%0.26CS..Hα-helixtrans-60.3-49177.7-65.7162.8000110.7T351 L354 A355 L358 S459 A460 A465 W466 I467T351-I463 HydrophobicContact CG2-CD1 4.17Å; T351-I463 HydrophobicContact CG2-CG1 4Å; L354-I463 HydrophobicContact CB-CD1 3.82Å; L354-I463 HydrophobicContact CB-CG1 4.27Å; L354-I463 HydrophobicContact CD1-CD1 4.14Å; A355-I463 HydrophobicContact CB-CG1 4.19Å; L358-I463 HydrophobicContact CD1-CG2 4.05Å; S459-I463 WeakPolarHBondContact O-CD1 3.42Å; S459-I463 VanDerWaalsContact O-CG1 3.3Å; S459-I463 WeakPolarHBondContact O-CG1 3.43Å; S459-I463 PolarHBondContact O-N 3.43Å; S459-I463 VanDerWaalsContact O-N 3.13Å; A460-I463 PolarHBondContact O-N 3.38Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 2.92Å; I463-W466 PolarHBondContact O-N 3.38Å; I463-I467 HydrophobicContact CG2-CD1 3.86Å; I463-I467 WeakPolarHBondContact O-CG1 3.35Å; I463-I467 PolarHBondContact O-N 3.28Å
464L97.4Very high93.9Very high114 Ų11435.5 Ų35.560%0.59722%0.22SC*.Hα-helixtrans-62.6-37180-71.5172.4000112.5A460 S461 I467 A468A460-L464 WeakPolarHBondContact O-CB 3.45Å; A460-L464 VanDerWaalsContact O-CG 3.28Å; A460-L464 WeakPolarHBondContact O-CG 3.04Å; A460-L464 PolarHBondContact O-N 3.39Å; S461-L464 PolarHBondContact O-N 3.05Å; L464-I467 PolarHBondContact O-N 3.38Å; L464-A468 WeakPolarHBondContact O-CB 3.19Å; L464-A468 PolarHBondContact O-N 3.38Å
465A97.6Very high94.3Very high9 Ų931.9 Ų31.97%0.07420%0.203CC..Hα-helixtrans-64.4-43.2176.400000111.8P437 Y440 V441 S461 A462 I463 A468 I469P437-A465 HydrophobicContact CB-CB 4.38Å; Y440-A465 HydrophobicContact CD1-CB 3.67Å; Y440-A465 HydrophobicContact CE1-CB 4.16Å; V441-A465 HydrophobicContact CG1-CB 3.72Å; S461-A465 VanDerWaalsContact O-CB 3.3Å; S461-A465 WeakPolarHBondContact O-CB 3.41Å; S461-A465 PolarHBondContact O-N 3.03Å; A462-A465 PolarHBondContact O-N 3.26Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 2.92Å; A465-A468 PolarHBondContact O-N 3.2Å; A465-I469 VanDerWaalsContact O-CG1 3.26Å; A465-I469 WeakPolarHBondContact O-CG1 3.25Å; A465-I469 PolarHBondContact O-N 3.37Å
466W97.9Very high94.8Very high4 Ų430 Ų302%0.01518%0.182CC..Hα-helixtrans-65.3-40.4175.4-81.7104.5000113L336 Q340 S343 C344 A355 V441 A462 I463 I469 R470L336-W466 HydrophobicContact CB-CH2 3.73Å; L336-W466 HydrophobicContact CB-CZ3 4.02Å; L336-W466 WeakPolarHBondContact O-CH2 3.49Å; Q340-W466 HydrophobicContact CB-CH2 3.67Å; Q340-W466 HydrophobicContact CB-CZ2 3.63Å; Q340-W466 HydrophobicContact CB-CZ3 4.39Å; Q340-W466 HydrophobicContact CG-CD2 4.06Å; Q340-W466 HydrophobicContact CG-CE3 4.3Å; Q340-W466 HydrophobicContact CG-CH2 3.75Å; Q340-W466 HydrophobicContact CG-CZ2 3.52Å; Q340-W466 HydrophobicContact CG-CZ3 4.15Å; S343-W466 WeakPolarHBondContact OG-CZ2 3.37Å; S343-W466 PolarHBondContact OG-NE1 3.35Å; C344-W466 PolarHBondContact SG-NE1 3.02Å; A355-W466 HydrophobicContact CB-CB 4.35Å; A355-W466 HydrophobicContact CB-CG 4.4Å; V441-W466 HydrophobicContact CB-CZ2 4.19Å; V441-W466 HydrophobicContact CG1-CD2 4.45Å; V441-W466 HydrophobicContact CG1-CG 4.48Å; V441-W466 HydrophobicContact CG1-CZ2 4.41Å; V441-W466 HydrophobicContact CG2-CZ2 4.25Å; A462-W466 VanDerWaalsContact O-CD1 3.25Å; A462-W466 PolarHBondContact O-N 3.35Å; A462-W466 VanDerWaalsContact O-N 3.15Å; I463-W466 PolarHBondContact O-N 3.38Å; W466-I469 PolarHBondContact O-N 3.18Å; W466-R470 WeakPolarHBondContact O-CB 3.36Å; W466-R470 WeakPolarHBondContact O-CG 3.16Å; W466-R470 PolarHBondContact O-N 3.23Å
467I97.8Very high95.1Very high33 Ų3329.7 Ų29.717%0.16916%0.162CC..Hα-helixtrans-58.4-49.6172-67.8167.7000109.8L358 C362 I463 L464 I469 R470 C471L358-I467 HydrophobicContact CB-CD1 3.91Å; L358-I467 HydrophobicContact CB-CG1 4.21Å; L358-I467 HydrophobicContact CD1-CD1 4.5Å; C362-I467 HydrophobicContact CB-CG2 3.94Å; I463-I467 HydrophobicContact CG2-CD1 3.86Å; I463-I467 WeakPolarHBondContact O-CG1 3.35Å; I463-I467 PolarHBondContact O-N 3.28Å; L464-I467 PolarHBondContact O-N 3.38Å; I467-I469 PolarHBondContact O-N 3.03Å; I467-R470 PolarHBondContact O-N 3.01Å; I467-C471 VanDerWaalsContact O-CB 3.3Å; I467-C471 WeakPolarHBondContact O-CB 3.35Å; I467-C471 PolarHBondContact O-N 3.07Å; I467-C471 PolarHBondContact O-SG 3.36Å
468A97.7Very high95Very high36 Ų3623.5 Ų23.530%0.29814%0.136SC..Hα-helixtrans-59.7-46.5179.800000112.3P437 L464 A465 C471 L472P437-A468 HydrophobicContact CB-CB 4.31Å; P437-A468 HydrophobicContact CG-CB 4.38Å; L464-A468 WeakPolarHBondContact O-CB 3.19Å; L464-A468 PolarHBondContact O-N 3.38Å; A465-A468 PolarHBondContact O-N 3.2Å; A468-C471 PolarHBondContact O-N 2.91Å; A468-L472 VanDerWaalsContact O-CB 3.31Å; A468-L472 WeakPolarHBondContact O-CB 3.4Å; A468-L472 WeakPolarHBondContact O-CD1 3.36Å; A468-L472 WeakPolarHBondContact O-CG 3.47Å; A468-L472 PolarHBondContact O-N 3.21Å
469I97.4Very high94.9Very high0 Ų025.2 Ų25.20%014%0.143CC..Hα-helixtrans-57.1-53.6177.3-70.9165.7000110.7L336 P437 V438 V441 A465 W466 I467 C471 L472 F473L336-I469 HydrophobicContact CD1-CD1 4.45Å; L336-I469 HydrophobicContact CD1-CG2 3.74Å; P437-I469 HydrophobicContact CB-CD1 4.34Å; P437-I469 HydrophobicContact CB-CG1 3.83Å; P437-I469 HydrophobicContact CG-CG1 3.94Å; V438-I469 HydrophobicContact CG2-CD1 4.24Å; V438-I469 HydrophobicContact CG2-CG1 4.08Å; V441-I469 HydrophobicContact CB-CD1 4.27Å; V441-I469 HydrophobicContact CG1-CD1 3.71Å; V441-I469 HydrophobicContact CG2-CD1 3.52Å; A465-I469 VanDerWaalsContact O-CG1 3.26Å; A465-I469 WeakPolarHBondContact O-CG1 3.25Å; A465-I469 PolarHBondContact O-N 3.37Å; W466-I469 PolarHBondContact O-N 3.18Å; I467-I469 PolarHBondContact O-N 3.03Å; I469-C471 PolarHBondContact O-N 2.93Å; I469-L472 PolarHBondContact O-N 3.11Å; I469-F473 HydrophobicContact CG2-CD2 3.62Å; I469-F473 HydrophobicContact CG2-CE2 3.59Å; I469-F473 WeakPolarHBondContact O-CB 3.28Å; I469-F473 WeakPolarHBondContact O-CG 3.42Å; I469-F473 PolarHBondContact O-N 3.1Å
470R95.4Very high94.6Very high43 Ų4323.9 Ų23.916%0.16213%0.133CC..Hα-helixtrans-63.3-42.5-176.7-69.8-68.3-70.3-173.4-5.5111.4D171 N332 W466 I467 A474D171-R470 IonicContact OD2-NH2 3.56Å; N332-R470 PolarHBondContact ND2-NH1 3.4Å; N332-R470 WeakPolarHBondContact OD1-CD 3.04Å; N332-R470 PolarHBondContact OD1-NH1 2.9Å; W466-R470 WeakPolarHBondContact O-CB 3.36Å; W466-R470 WeakPolarHBondContact O-CG 3.16Å; W466-R470 PolarHBondContact O-N 3.23Å; I467-R470 PolarHBondContact O-N 3.01Å; R470-A474 WeakPolarHBondContact O-CB 3.14Å; R470-A474 PolarHBondContact O-N 2.95Å
471C95.9Very high94Very high20 Ų2025.4 Ų25.414%0.13513%0.13CC..Hα-helixtrans-63.4-46.9176.2-70.70000113C362 M366 I467 A468 I469 S475C362-C471 VanDerWaalsContact CB-SG 3.54Å; M366-C471 HydrophobicContact CB-CB 4.43Å; M366-C471 HydrophobicContact CG-CB 3.78Å; M366-C471 WeakPolarHBondContact CG-SG 3.37Å; I467-C471 VanDerWaalsContact O-CB 3.3Å; I467-C471 WeakPolarHBondContact O-CB 3.35Å; I467-C471 PolarHBondContact O-N 3.07Å; I467-C471 PolarHBondContact O-SG 3.36Å; A468-C471 PolarHBondContact O-N 2.91Å; I469-C471 PolarHBondContact O-N 2.93Å; C471-S475 WeakPolarHBondContact O-CB 3.49Å; C471-S475 PolarHBondContact O-N 3.16Å; C471-S475 PolarHBondContact O-OG 3.33Å
472L96.3Very high93.3Very high37 Ų3726.5 Ų26.519%0.19413%0.133CC..Hα-helixtrans-64.7-46-179-71.9167000111.1I430 I433 P437 A468 I469 S475 L476I430-L472 HydrophobicContact CG2-CD2 4.11Å; I433-L472 HydrophobicContact CG2-CD1 4.08Å; I433-L472 HydrophobicContact CG2-CD2 4.23Å; P437-L472 HydrophobicContact CG-CD1 4.22Å; A468-L472 VanDerWaalsContact O-CB 3.31Å; A468-L472 WeakPolarHBondContact O-CB 3.4Å; A468-L472 WeakPolarHBondContact O-CD1 3.36Å; A468-L472 WeakPolarHBondContact O-CG 3.47Å; A468-L472 PolarHBondContact O-N 3.21Å; I469-L472 PolarHBondContact O-N 3.11Å; L472-S475 PolarHBondContact O-N 3.18Å; L472-L476 WeakPolarHBondContact O-CB 3.42Å; L472-L476 PolarHBondContact O-N 3.37Å
473F95.4Very high92.5Very high1 Ų126.7 Ų26.70%0.00414%0.135CC..Hα-helixtrans-68.5-40.1178-70.9-20.7000112.9Y327 I328 N332 L336 S434 V438 I469 S475 L476 R477Y327-F473 AromaticContact CE1-CE1 3.77Å; Y327-F473 HydrophobicContact CE1-CE1 3.77Å; Y327-F473 HydrophobicContact CE1-CZ 4.33Å; I328-F473 HydrophobicContact CG1-CD1 4.38Å; I328-F473 HydrophobicContact CG2-CB 4.09Å; I328-F473 HydrophobicContact CG2-CD1 4.45Å; I328-F473 HydrophobicContact CG2-CG 4.28Å; N332-F473 HydrophobicContact CB-CB 4.35Å; N332-F473 HydrophobicContact CB-CD2 3.56Å; N332-F473 HydrophobicContact CB-CE2 4.16Å; N332-F473 HydrophobicContact CB-CG 4.27Å; L336-F473 HydrophobicContact CD1-CE2 3.77Å; S434-F473 WeakPolarHBondContact OG-CE1 3.44Å; V438-F473 HydrophobicContact CG2-CE2 4.28Å; V438-F473 HydrophobicContact CG2-CZ 3.87Å; I469-F473 HydrophobicContact CG2-CD2 3.62Å; I469-F473 HydrophobicContact CG2-CE2 3.59Å; I469-F473 WeakPolarHBondContact O-CB 3.28Å; I469-F473 WeakPolarHBondContact O-CG 3.42Å; I469-F473 PolarHBondContact O-N 3.1Å; F473-S475 VanDerWaalsContact C-N 3.33Å; F473-S475 PolarHBondContact O-N 3.01Å; F473-L476 PolarHBondContact O-N 2.79Å; F473-R477 WeakPolarHBondContact O-CB 3.49Å; F473-R477 PolarHBondContact O-N 3.47Å
474A92.3Very high91.5Very high5 Ų525.8 Ų25.84%0.04113%0.13CC..Hα-helixtrans-60.7-43.517400000111.7R470 T478R470-A474 WeakPolarHBondContact O-CB 3.14Å; R470-A474 PolarHBondContact O-N 2.95Å; A474-T478 VanDerWaalsContact O-CB 3.28Å; A474-T478 WeakPolarHBondContact O-CB 3.24Å; A474-T478 PolarHBondContact O-N 3.26Å; A474-T478 PolarHBondContact O-OG1 3.32Å
475S92.2Very high90.3Very high16 Ų1623.6 Ų23.611%0.11212%0.124CC..Hα-helixtrans-65.3-50.1178.4-53.60000111.2M366 T370 C471 L472 F473 R477 T478 W479M366-S475 WeakPolarHBondContact CE-OG 3.25Å; T370-S475 WeakPolarHBondContact CG2-O 3.35Å; T370-S475 WeakPolarHBondContact OG1-CA 3.39Å; T370-S475 WeakPolarHBondContact OG1-CB 3.07Å; T370-S475 PolarHBondContact OG1-OG 3.43Å; C471-S475 WeakPolarHBondContact O-CB 3.49Å; C471-S475 PolarHBondContact O-N 3.16Å; C471-S475 PolarHBondContact O-OG 3.33Å; L472-S475 PolarHBondContact O-N 3.18Å; F473-S475 VanDerWaalsContact C-N 3.33Å; F473-S475 PolarHBondContact O-N 3.01Å; S475-R477 PolarHBondContact O-N 2.96Å; S475-T478 PolarHBondContact O-N 3.03Å; S475-W479 WeakPolarHBondContact O-CB 3.39Å; S475-W479 PolarHBondContact O-N 3.17Å
476L93.5Very high88.9Confident0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-62.9-44.6-179-174.460.9000111.9I328 W427 I430 S431 L472 F473 W479 I480I328-L476 HydrophobicContact CD1-CB 4.05Å; I328-L476 HydrophobicContact CD1-CD2 3.45Å; I328-L476 VanDerWaalsContact CD1-CD2 3.45Å; I328-L476 HydrophobicContact CD1-CG 3.51Å; I328-L476 HydrophobicContact CG1-CD2 3.73Å; I328-L476 HydrophobicContact CG1-CG 4.3Å; W427-L476 HydrophobicContact CB-CD1 3.79Å; W427-L476 HydrophobicContact CG-CD1 4.03Å; I430-L476 HydrophobicContact CB-CD1 4.33Å; I430-L476 HydrophobicContact CG2-CB 3.98Å; I430-L476 HydrophobicContact CG2-CD1 4.34Å; I430-L476 HydrophobicContact CG2-CD2 4.42Å; I430-L476 HydrophobicContact CG2-CG 4.47Å; S431-L476 WeakPolarHBondContact OG-CD2 3.27Å; L472-L476 WeakPolarHBondContact O-CB 3.42Å; L472-L476 PolarHBondContact O-N 3.37Å; F473-L476 PolarHBondContact O-N 2.79Å; L476-W479 PolarHBondContact O-N 3Å; L476-I480 HydrophobicContact CD1-CD1 3.95Å; L476-I480 HydrophobicContact CD1-CG1 4.35Å; L476-I480 HydrophobicContact CG-CD1 3.92Å; L476-I480 VanDerWaalsContact O-CG1 3.3Å; L476-I480 WeakPolarHBondContact O-CG1 3.23Å; L476-I480 PolarHBondContact O-N 2.97Å
477R90.9Very high87.2Confident56 Ų5629.3 Ų29.321%0.21116%0.158CC..Hα-helixtrans-58.3-53.7176.4-176.8-173.17295.8-1.4110.7I328 F473 S475 W479 I480 W481I328-R477 HydrophobicContact CG2-CB 4.45Å; F473-R477 WeakPolarHBondContact O-CB 3.49Å; F473-R477 PolarHBondContact O-N 3.47Å; S475-R477 PolarHBondContact O-N 2.96Å; R477-W479 VanDerWaalsContact C-N 3.3Å; R477-W479 PolarHBondContact O-N 2.74Å; R477-I480 PolarHBondContact O-N 3.31Å; R477-W481 WeakPolarHBondContact O-CB 3.25Å; R477-W481 VanDerWaalsContact O-CD1 3.27Å; R477-W481 PolarHBondContact O-N 3.5Å
478T88.1Confident85.2Confident11 Ų1129.1 Ų29.17%0.06716%0.16CC..Hα-helixtrans-57.6-44.5-178.5-57.60000111.1T370 T371 A474 S475 W481 M482T370-T478 HydrophobicContact CG2-CG2 3.98Å; T371-T478 WeakPolarHBondContact OG1-CG2 3.26Å; A474-T478 VanDerWaalsContact O-CB 3.28Å; A474-T478 WeakPolarHBondContact O-CB 3.24Å; A474-T478 PolarHBondContact O-N 3.26Å; A474-T478 PolarHBondContact O-OG1 3.32Å; S475-T478 PolarHBondContact O-N 3.03Å; T478-W481 PolarHBondContact O-N 3.08Å; T478-M482 HydrophobicContact CG2-CG 4.5Å; T478-M482 HydrophobicContact CG2-SD 4.04Å; T478-M482 WeakPolarHBondContact O-CB 3.37Å; T478-M482 WeakPolarHBondContact O-CG 3.31Å; T478-M482 PolarHBondContact O-N 3.49Å
479W89Confident83Confident36 Ų3633.7 Ų33.714%0.13618%0.179CC..Hα-helixtrans-65.1-45.7-179.6-160.6-5.8000112.9T370 V374 Y377 L423 K426 W427 I430 S475 L476 R477 S483T370-W479 HydrophobicContact CG2-CB 4.37Å; V374-W479 HydrophobicContact CG2-CB 4.08Å; V374-W479 HydrophobicContact CG2-CD2 4.11Å; V374-W479 HydrophobicContact CG2-CG 3.62Å; Y377-W479 HydrophobicContact CD1-CZ2 4.38Å; Y377-W479 HydrophobicContact CE1-CZ2 4.45Å; L423-W479 HydrophobicContact CD1-CD2 4.14Å; L423-W479 HydrophobicContact CD1-CG 4.44Å; L423-W479 HydrophobicContact CD1-CZ2 3.6Å; K426-W479 HydrophobicContact CB-CH2 3.94Å; K426-W479 HydrophobicContact CB-CZ3 4.09Å; K426-W479 HydrophobicContact CD-CH2 3.52Å; K426-W479 HydrophobicContact CD-CZ2 4.15Å; K426-W479 HydrophobicContact CD-CZ3 4.4Å; K426-W479 HydrophobicContact CG-CH2 4.35Å; W427-W479 AromaticContact CD1-CD2 3.86Å; W427-W479 AromaticContact CD1-CE3 3.9Å; W427-W479 AromaticContact NE1-CD1 3.65Å; W427-W479 AromaticContact NE1-CD2 3.42Å; W427-W479 AromaticContact NE1-CE2 3.86Å; W427-W479 AromaticContact NE1-CE3 3.95Å; W427-W479 AromaticContact NE1-CG 3.32Å; W427-W479 VanDerWaalsContact NE1-CG 3.32Å; W427-W479 AromaticContact NE1-NE1 3.96Å; I430-W479 HydrophobicContact CD1-CE3 3.94Å; I430-W479 HydrophobicContact CD1-CZ3 3.82Å; S475-W479 WeakPolarHBondContact O-CB 3.39Å; S475-W479 PolarHBondContact O-N 3.17Å; L476-W479 PolarHBondContact O-N 3Å; R477-W479 VanDerWaalsContact C-N 3.3Å; R477-W479 PolarHBondContact O-N 2.74Å; W479-S483 WeakPolarHBondContact O-CB 3.42Å; W479-S483 PolarHBondContact O-N 2.96Å
480I87.8Confident81.1Confident0 Ų039.9 Ų39.90%021%0.206CC..Hα-helixtrans-62.9-45.4177.8-65.6167.5000110.1L324 I325 I328 W427 L476 R477 M482 S483 L484L324-I480 HydrophobicContact CB-CD1 3.74Å; L324-I480 HydrophobicContact CD1-CD1 4.15Å; I325-I480 HydrophobicContact CD1-CG2 3.77Å; I325-I480 HydrophobicContact CG1-CG2 3.97Å; I328-I480 HydrophobicContact CD1-CD1 4.03Å; W427-I480 HydrophobicContact CD2-CG1 3.81Å; W427-I480 HydrophobicContact CE3-CG1 4.04Å; W427-I480 HydrophobicContact CG-CG1 4.27Å; W427-I480 HydrophobicContact CH2-CG1 4.29Å; W427-I480 HydrophobicContact CZ2-CB 4.45Å; W427-I480 HydrophobicContact CZ2-CG1 4.05Å; W427-I480 HydrophobicContact CZ3-CG1 4.28Å; L476-I480 HydrophobicContact CD1-CD1 3.95Å; L476-I480 HydrophobicContact CD1-CG1 4.35Å; L476-I480 HydrophobicContact CG-CD1 3.92Å; L476-I480 VanDerWaalsContact O-CG1 3.3Å; L476-I480 WeakPolarHBondContact O-CG1 3.23Å; L476-I480 PolarHBondContact O-N 2.97Å; R477-I480 PolarHBondContact O-N 3.31Å; I480-M482 PolarHBondContact O-N 2.87Å; I480-S483 PolarHBondContact O-N 3.15Å; I480-L484 HydrophobicContact CG2-CD1 3.8Å; I480-L484 HydrophobicContact CG2-CG 4.24Å; I480-L484 WeakPolarHBondContact O-CB 3.31Å; I480-L484 WeakPolarHBondContact O-CG 3.36Å; I480-L484 PolarHBondContact O-N 3.05Å
481W83.2Confident79.7Confident76 Ų7641.1 Ų41.129%0.28822%0.22SC..Hα-helixtrans-60.7-46.6179.8-90.696.5000112.7R477 T478 S483 L484 S485 I494 A497R477-W481 WeakPolarHBondContact O-CB 3.25Å; R477-W481 VanDerWaalsContact O-CD1 3.27Å; R477-W481 PolarHBondContact O-N 3.5Å; T478-W481 PolarHBondContact O-N 3.08Å; W481-S483 VanDerWaalsContact C-N 3.33Å; W481-S483 PolarHBondContact O-N 2.95Å; W481-L484 PolarHBondContact O-N 3.37Å; W481-S485 WeakPolarHBondContact O-CB 3.28Å; W481-S485 PolarHBondContact O-N 3.4Å; W481-S485 PolarHBondContact O-OG 3.28Å; W481-I494 HydrophobicContact CH2-CG2 4.45Å; W481-I494 HydrophobicContact CZ3-CG2 3.92Å; W481-A497 HydrophobicContact CH2-CB 4.42Å; W481-A497 HydrophobicContact CZ2-CB 4.38Å
482M79.5Confident78.5Confident37 Ų3744.7 Ų44.718%0.18224%0.241CC..Hα-helixtrans-64.5-36.9176.6-70.9-177.175.600112.6T371 V374 N375 T478 I480 S485 S486T371-M482 HydrophobicContact CG2-CE 3.9Å; T371-M482 HydrophobicContact CG2-SD 3.88Å; V374-M482 HydrophobicContact CB-CE 4.15Å; V374-M482 HydrophobicContact CB-SD 3.92Å; V374-M482 HydrophobicContact CG1-CB 3.94Å; V374-M482 HydrophobicContact CG1-CE 3.94Å; V374-M482 HydrophobicContact CG1-SD 3.92Å; V374-M482 HydrophobicContact CG2-SD 4.45Å; N375-M482 WeakPolarHBondContact OD1-CE 3.4Å; T478-M482 HydrophobicContact CG2-CG 4.5Å; T478-M482 HydrophobicContact CG2-SD 4.04Å; T478-M482 WeakPolarHBondContact O-CB 3.37Å; T478-M482 WeakPolarHBondContact O-CG 3.31Å; T478-M482 PolarHBondContact O-N 3.49Å; I480-M482 PolarHBondContact O-N 2.87Å; M482-S485 WeakPolarHBondContact CA-OG 3.49Å; M482-S485 PolarHBondContact O-OG 2.84Å; M482-S486 WeakPolarHBondContact O-CB 3.29Å; M482-S486 PolarHBondContact O-N 2.89Å; M482-S486 PolarHBondContact O-OG 3.26Å
483S79.3Confident77.3Confident5 Ų544.6 Ų44.64%0.03524%0.239CC..Hα-helixtrans-70.8-33.3176.8-175.20000112.9L423 W479 I480 W481 S486 H487L423-S483 VanDerWaalsContact CD2-OG 3.28Å; L423-S483 WeakPolarHBondContact CD2-OG 3.3Å; W479-S483 WeakPolarHBondContact O-CB 3.42Å; W479-S483 PolarHBondContact O-N 2.96Å; I480-S483 PolarHBondContact O-N 3.15Å; W481-S483 VanDerWaalsContact C-N 3.33Å; W481-S483 PolarHBondContact O-N 2.95Å; S483-S486 PolarHBondContact O-OG 2.7Å; S483-S486 VanDerWaalsContact O-OG 3.1Å; S483-H487 PolarHBondContact O-ND1 3.36Å
484L77.8Confident76.4Confident2 Ų247.5 Ų47.51%0.0125%0.253CS..Hα-helixtrans-73.9-38175.6-72.6174.6000111.4P316 I325 I480 W481 H487 S488 A497P316-L484 HydrophobicContact CG-CD2 4.18Å; I325-L484 HydrophobicContact CD1-CD1 4.03Å; I480-L484 HydrophobicContact CG2-CD1 3.8Å; I480-L484 HydrophobicContact CG2-CG 4.24Å; I480-L484 WeakPolarHBondContact O-CB 3.31Å; I480-L484 WeakPolarHBondContact O-CG 3.36Å; I480-L484 PolarHBondContact O-N 3.05Å; W481-L484 PolarHBondContact O-N 3.37Å; L484-H487 PolarHBondContact O-N 2.57Å; L484-S488 WeakPolarHBondContact O-CB 3.46Å; L484-S488 PolarHBondContact O-N 3.49Å; L484-A497 HydrophobicContact CD1-CB 3.66Å
485S71.9Confident75.8Confident68 Ų6854.3 Ų54.348%0.47628%0.278SS..Hα-helixtrans-68.4-39.6178.467.70000112.1W481 M482 H487 S488W481-S485 WeakPolarHBondContact O-CB 3.28Å; W481-S485 PolarHBondContact O-N 3.4Å; W481-S485 PolarHBondContact O-OG 3.28Å; M482-S485 WeakPolarHBondContact CA-OG 3.49Å; M482-S485 PolarHBondContact O-OG 2.84Å; S485-H487 PolarHBondContact O-N 3.11Å; S485-S488 PolarHBondContact O-N 3.43Å
486S68Low75.3Confident79 Ų7957.1 Ų57.155%0.55229%0.291SS*.Hα-helixtrans-64.7-24.4179.164.50000114.1M482 S483M482-S486 WeakPolarHBondContact O-CB 3.29Å; M482-S486 PolarHBondContact O-N 2.89Å; M482-S486 PolarHBondContact O-OG 3.26Å; S483-S486 PolarHBondContact O-OG 2.7Å; S483-S486 VanDerWaalsContact O-OG 3.1Å
487H62.6Low74.8Confident54 Ų5457.1 Ų57.125%0.2529%0.291CS..THydrogen-bonded Turntrans-107.613.2-179.3-62.278.7000113.4S483 L484 S485 N489 R493S483-H487 PolarHBondContact O-ND1 3.36Å; L484-H487 PolarHBondContact O-N 2.57Å; S485-H487 PolarHBondContact O-N 3.11Å; H487-N489 PolarHBondContact O-N 2.91Å; H487-R493 PolarHBondContact O-NH1 3.03Å; H487-R493 VanDerWaalsContact O-NH1 3.07Å
488S55.3Low74.5Confident30 Ų3055.5 Ų55.521%0.2129%0.292CS..  trans-93.667.6-172.3-177.40000113L484 S485 K490 I494L484-S488 WeakPolarHBondContact O-CB 3.46Å; L484-S488 PolarHBondContact O-N 3.49Å; S485-S488 PolarHBondContact O-N 3.43Å; S488-K490 PolarHBondContact O-N 2.85Å; S488-K490 PolarHBondContact OG-O 3.34Å; S488-K490 VanDerWaalsContact OG-O 3.06Å; S488-I494 VanDerWaalsContact OG-CD1 3.28Å; S488-I494 WeakPolarHBondContact OG-CD1 3.36Å
489N52.1Low74.4Confident131 Ų13160.5 Ų60.570%0.70132%0.318SS*.SBendtrans-69.6-9.1157.6-78.9-3000112.1H487H487-N489 PolarHBondContact O-N 2.91Å
490K55.9Low74.4Confident130 Ų13059.2 Ų59.257%0.56531%0.314SS*.SBendtrans-123.8115.1176.9-67.3-175.7-180-1800109.8S488 T492 R493S488-K490 PolarHBondContact O-N 2.85Å; S488-K490 PolarHBondContact OG-O 3.34Å; S488-K490 VanDerWaalsContact OG-O 3.06Å; K490-T492 PolarHBondContact O-N 3Å; K490-R493 PolarHBondContact O-N 3.38Å
491P66.6Low74.5Confident70 Ų7060.3 Ų60.346%0.45532%0.321SS..Hα-helixtrans-59.7-14.3-18024.9-34.6000113.2R493 R495P491-R493 VanDerWaalsContact C-N 3.34Å; P491-R493 PolarHBondContact O-N 2.65Å; P491-R495 WeakPolarHBondContact O-CB 3.39Å; P491-R495 VanDerWaalsContact O-CG 3.24Å; P491-R495 WeakPolarHBondContact O-CG 3.34Å; P491-R495 PolarHBondContact O-N 3.11Å
492T70.7Confident74.8Confident94 Ų9460.1 Ų60.158%0.57732%0.323SS*.Hα-helixtrans-58.1-38.9176.3-43.30000113.4K490 R495 L496K490-T492 PolarHBondContact O-N 3Å; T492-R495 PolarHBondContact O-N 3.49Å; T492-L496 WeakPolarHBondContact O-CB 3.34Å; T492-L496 PolarHBondContact O-N 2.93Å
493R72.1Confident75.4Confident36 Ų3664.3 Ų64.314%0.13634%0.341CS..Hα-helixtrans-64.6-48.6-178.2-71.8-175.9177.5169.7-6.8111.3Q313 I318 H487 K490 P491 L496 A497Q313-R493 PolarHBondContact O-NH2 3.48Å; Q313-R493 VanDerWaalsContact O-NH2 3.1Å; I318-R493 HydrophobicContact CD1-CG 3.73Å; I318-R493 HydrophobicContact CG1-CG 4.09Å; H487-R493 PolarHBondContact O-NH1 3.03Å; H487-R493 VanDerWaalsContact O-NH1 3.07Å; K490-R493 PolarHBondContact O-N 3.38Å; P491-R493 VanDerWaalsContact C-N 3.34Å; P491-R493 PolarHBondContact O-N 2.65Å; R493-L496 PolarHBondContact O-N 3.28Å; R493-A497 PolarHBondContact O-N 2.89Å
494I75.9Confident76.1Confident61 Ų6164.1 Ų64.131%0.31334%0.339SS..Hα-helixtrans-64.4-42.7178-65.8174.8000110.8W481 S488 L496 A497 G498W481-I494 HydrophobicContact CH2-CG2 4.45Å; W481-I494 HydrophobicContact CZ3-CG2 3.92Å; S488-I494 VanDerWaalsContact OG-CD1 3.28Å; S488-I494 WeakPolarHBondContact OG-CD1 3.36Å; I494-L496 VanDerWaalsContact C-N 3.33Å; I494-L496 PolarHBondContact O-N 3.07Å; I494-A497 WeakPolarHBondContact O-CB 3.45Å; I494-A497 PolarHBondContact O-N 3.18Å; I494-G498 PolarHBondContact O-N 3.11Å
495R78.7Confident76.9Confident149 Ų14964.2 Ų64.256%0.56234%0.34SS*.Hα-helixtrans-60.7-42176.3-73.3173.8-1741715.1112.2P491 T492 G498 L499P491-R495 WeakPolarHBondContact O-CB 3.39Å; P491-R495 VanDerWaalsContact O-CG 3.24Å; P491-R495 WeakPolarHBondContact O-CG 3.34Å; P491-R495 PolarHBondContact O-N 3.11Å; T492-R495 PolarHBondContact O-N 3.49Å; R495-G498 PolarHBondContact O-N 3.13Å; R495-L499 WeakPolarHBondContact O-CG 3.08Å; R495-L499 PolarHBondContact O-N 3.49Å
496L81.8Confident78Confident74 Ų7462.4 Ų62.439%0.38733%0.33SS..Hα-helixtrans-68-36.9178.5-170.265.6000112I318 T492 R493 I494 L499 S500I318-L496 HydrophobicContact CG2-CD2 3.61Å; T492-L496 WeakPolarHBondContact O-CB 3.34Å; T492-L496 PolarHBondContact O-N 2.93Å; R493-L496 PolarHBondContact O-N 3.28Å; I494-L496 VanDerWaalsContact C-N 3.33Å; I494-L496 PolarHBondContact O-N 3.07Å; L496-L499 PolarHBondContact O-N 3.15Å; L496-S500 VanDerWaalsContact O-CB 3.29Å; L496-S500 WeakPolarHBondContact O-CB 3.33Å; L496-S500 PolarHBondContact O-N 3.15Å; L496-S500 PolarHBondContact O-OG 3.07Å
497A83.6Confident79.3Confident0 Ų063.2 Ų63.20%033%0.327CS..Hα-helixtrans-62.9-41.617200000112.4I325 W481 L484 R493 I494 S500 T501I325-A497 HydrophobicContact CD1-CB 3.66Å; W481-A497 HydrophobicContact CH2-CB 4.42Å; W481-A497 HydrophobicContact CZ2-CB 4.38Å; L484-A497 HydrophobicContact CD1-CB 3.66Å; R493-A497 PolarHBondContact O-N 2.89Å; I494-A497 WeakPolarHBondContact O-CB 3.45Å; I494-A497 PolarHBondContact O-N 3.18Å; A497-S500 WeakPolarHBondContact O-CB 3.39Å; A497-S500 PolarHBondContact O-N 3.33Å; A497-T501 PolarHBondContact O-N 2.96Å; A497-T501 PolarHBondContact O-OG1 3.4Å
498G84.1Confident80.9Confident22 Ų2260.7 Ų60.723%0.22732%0.316CS..Hα-helixtrans-59.3-51.6171.200000112.1I494 R495 S500 T501 Q502I494-G498 PolarHBondContact O-N 3.11Å; R495-G498 PolarHBondContact O-N 3.13Å; G498-S500 VanDerWaalsContact C-N 3.29Å; G498-S500 PolarHBondContact O-N 2.91Å; G498-T501 VanDerWaalsContact O-CB 3.31Å; G498-T501 WeakPolarHBondContact O-CB 3.22Å; G498-T501 PolarHBondContact O-N 3.36Å; G498-Q502 WeakPolarHBondContact O-CG 3.49Å; G498-Q502 PolarHBondContact O-N 2.95Å
499L85.9Confident82.9Confident116 Ų11659.3 Ų59.361%0.60731%0.307SS*.Hα-helixtrans-57.4-41.8176.2-72.1172.5000112.4R495 L496 T501 Q502 F503R495-L499 WeakPolarHBondContact O-CG 3.08Å; R495-L499 PolarHBondContact O-N 3.49Å; L496-L499 PolarHBondContact O-N 3.15Å; L499-T501 VanDerWaalsContact C-N 3.3Å; L499-T501 PolarHBondContact O-N 3.06Å; L499-Q502 PolarHBondContact O-N 3.19Å; L499-F503 VanDerWaalsContact O-CB 3.28Å; L499-F503 WeakPolarHBondContact O-CB 3.24Å; L499-F503 PolarHBondContact O-N 3.22Å
500S90.3Very high85Confident9 Ų957.5 Ų57.56%0.06330%0.296CS..Hα-helixtrans-61.8-39176.4-60.70000111.7C322 I326 L496 A497 G498 G504C322-S500 WeakPolarHBondContact CB-OG 3.17Å; C322-S500 PolarHBondContact SG-OG 3.23Å; I326-S500 WeakPolarHBondContact CG1-O 3.39Å; L496-S500 VanDerWaalsContact O-CB 3.29Å; L496-S500 WeakPolarHBondContact O-CB 3.33Å; L496-S500 PolarHBondContact O-N 3.15Å; L496-S500 PolarHBondContact O-OG 3.07Å; A497-S500 WeakPolarHBondContact O-CB 3.39Å; A497-S500 PolarHBondContact O-N 3.33Å; G498-S500 VanDerWaalsContact C-N 3.29Å; G498-S500 PolarHBondContact O-N 2.91Å; S500-G504 PolarHBondContact O-N 3.12Å
501T90Very high87Confident23 Ų2355.4 Ų55.414%0.14129%0.29CS..Hα-helixtrans-63.3-51.2176.9-59.40000110.7I325 S329 A497 G498 L499 F503 G504 A505I325-T501 WeakPolarHBondContact CG2-OG1 3.1Å; S329-T501 VanDerWaalsContact CB-O 3.28Å; S329-T501 WeakPolarHBondContact CB-O 3.34Å; S329-T501 WeakPolarHBondContact OG-CG2 3.47Å; A497-T501 PolarHBondContact O-N 2.96Å; A497-T501 PolarHBondContact O-OG1 3.4Å; G498-T501 VanDerWaalsContact O-CB 3.31Å; G498-T501 WeakPolarHBondContact O-CB 3.22Å; G498-T501 PolarHBondContact O-N 3.36Å; L499-T501 VanDerWaalsContact C-N 3.3Å; L499-T501 PolarHBondContact O-N 3.06Å; T501-F503 PolarHBondContact O-N 3.32Å; T501-G504 PolarHBondContact O-N 3.2Å; T501-A505 WeakPolarHBondContact O-CB 3.33Å; T501-A505 PolarHBondContact O-N 3.44Å
502Q89.3Confident88.3Confident72 Ų7252.1 Ų52.134%0.33627%0.269SS..Hα-helixtrans-63.2-43.9-179.5-58.3-45.2126.300112N61 G498 L499 A506N61-Q502 PolarHBondContact ND2-NE2 3.31Å; N61-Q502 PolarHBondContact OD1-NE2 2.87Å; G498-Q502 WeakPolarHBondContact O-CG 3.49Å; G498-Q502 PolarHBondContact O-N 2.95Å; L499-Q502 PolarHBondContact O-N 3.19Å; Q502-A506 VanDerWaalsContact O-CB 3.32Å; Q502-A506 WeakPolarHBondContact O-CB 3.3Å; Q502-A506 PolarHBondContact O-N 3Å
503F91.6Very high89.5Confident126 Ų12650.4 Ų50.455%0.55325%0.253SS*.Hα-helixtrans-62.9-48.8178.6179.7-100000111.8I326 L499 T501 A506 L507I326-F503 HydrophobicContact CD1-CD1 4.18Å; I326-F503 HydrophobicContact CG1-CD1 4.29Å; I326-F503 HydrophobicContact CG2-CD1 4.43Å; L499-F503 VanDerWaalsContact O-CB 3.28Å; L499-F503 WeakPolarHBondContact O-CB 3.24Å; L499-F503 PolarHBondContact O-N 3.22Å; T501-F503 PolarHBondContact O-N 3.32Å; F503-A506 PolarHBondContact O-N 3.46Å; F503-L507 WeakPolarHBondContact O-CB 3.17Å; F503-L507 PolarHBondContact O-N 3.37Å
504G94.5Very high90.6Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-58.3-51.8177.100000111.8A330 S500 T501 A506 L507 G508A330-G504 WeakPolarHBondContact CA-O 3.25Å; A330-G504 VanDerWaalsContact CB-O 3.26Å; A330-G504 WeakPolarHBondContact CB-O 3.39Å; A330-G504 PolarHBondContact N-O 2.91Å; S500-G504 PolarHBondContact O-N 3.12Å; T501-G504 PolarHBondContact O-N 3.2Å; G504-A506 VanDerWaalsContact C-N 3.31Å; G504-A506 PolarHBondContact O-N 3.47Å; G504-L507 PolarHBondContact O-N 2.82Å; G504-G508 PolarHBondContact O-N 3.32Å
505A94.3Very high91.6Very high4 Ų450.8 Ų50.83%0.03326%0.258CS..Hα-helixtrans-59.1-40.6179.500000112.3S329 T501 G508 A509S329-A505 WeakPolarHBondContact O-CA 3.49Å; T501-A505 WeakPolarHBondContact O-CB 3.33Å; T501-A505 PolarHBondContact O-N 3.44Å; A505-G508 PolarHBondContact O-N 2.74Å; A505-A509 WeakPolarHBondContact O-CB 3.28Å; A505-A509 PolarHBondContact O-N 3.39Å
506A94.1Very high92.3Very high31 Ų3143.9 Ų43.926%0.25623%0.232SC..Hα-helixtrans-63.9-44.417600000112.4Q502 F503 G504 A509 I510Q502-A506 VanDerWaalsContact O-CB 3.32Å; Q502-A506 WeakPolarHBondContact O-CB 3.3Å; Q502-A506 PolarHBondContact O-N 3Å; F503-A506 PolarHBondContact O-N 3.46Å; G504-A506 VanDerWaalsContact C-N 3.31Å; G504-A506 PolarHBondContact O-N 3.47Å; A506-A509 PolarHBondContact O-N 3.02Å; A506-I510 WeakPolarHBondContact O-CD1 3.24Å; A506-I510 VanDerWaalsContact O-CG1 3.27Å; A506-I510 WeakPolarHBondContact O-CG1 3.45Å; A506-I510 PolarHBondContact O-N 3.29Å
507L95.9Very high92.8Very high95 Ų9541.8 Ų41.850%0.49722%0.223SC..Hα-helixtrans-61.2-47.5177.6-17767.5000111.5F503 G504 I510 L511F503-L507 WeakPolarHBondContact O-CB 3.17Å; F503-L507 PolarHBondContact O-N 3.37Å; G504-L507 PolarHBondContact O-N 2.82Å; L507-I510 PolarHBondContact O-N 3.11Å; L507-L511 WeakPolarHBondContact O-CB 3.24Å; L507-L511 PolarHBondContact O-N 2.03Å
508G97Very high93.1Very high2 Ų250 Ų502%0.02126%0.255CS..Hα-helixtrans-63.7-39.8178.100000113.1A330 G334 F335 G504 A505 L511 G512A330-G508 WeakPolarHBondContact O-CA 3.36Å; G334-G508 VanDerWaalsContact C-C 3.49Å; G334-G508 CarbonylContact C-O 3.58Å; G334-G508 VanDerWaalsContact CA-C 3.49Å; F335-G508 WeakPolarHBondContact CA-O 3.31Å; F335-G508 PolarHBondContact N-O 3.18Å; G504-G508 PolarHBondContact O-N 3.32Å; A505-G508 PolarHBondContact O-N 2.74Å; G508-L511 PolarHBondContact O-N 2.67Å; G508-G512 PolarHBondContact O-N 2.75Å
509A96.6Very high93.6Very high1 Ų155.3 Ų55.31%0.00827%0.272CS..Hα-helixtrans-62.3-48.417700000112.4I54 I55 Q58 G334 A505 A506 L511 G512 F513I54-A509 HydrophobicContact CG2-CB 3.37Å; I55-A509 HydrophobicContact CD1-CB 4.01Å; Q58-A509 HydrophobicContact CB-CB 4.37Å; Q58-A509 HydrophobicContact CG-CB 3.35Å; G334-A509 VanDerWaalsContact CA-N 3.33Å; A505-A509 WeakPolarHBondContact O-CB 3.28Å; A505-A509 PolarHBondContact O-N 3.39Å; A506-A509 PolarHBondContact O-N 3.02Å; A509-L511 VanDerWaalsContact C-N 3.34Å; A509-L511 PolarHBondContact O-N 2.91Å; A509-G512 PolarHBondContact O-N 2.81Å; A509-F513 VanDerWaalsContact O-CB 3.31Å; A509-F513 WeakPolarHBondContact O-CB 2.99Å; A509-F513 PolarHBondContact O-N 2.9Å
510I96.6Very high93.9Very high92 Ų9253.7 Ų53.747%0.47226%0.261SS..Hα-helixtrans-61.2-45.7177.7-68.3165.7000109.9I55 A506 L507 F513 I514I55-I510 HydrophobicContact CD1-CG1 4.31Å; A506-I510 WeakPolarHBondContact O-CD1 3.24Å; A506-I510 VanDerWaalsContact O-CG1 3.27Å; A506-I510 WeakPolarHBondContact O-CG1 3.45Å; A506-I510 PolarHBondContact O-N 3.29Å; L507-I510 PolarHBondContact O-N 3.11Å; I510-F513 PolarHBondContact O-N 3.45Å; I510-I514 HydrophobicContact CG2-CD1 3.64Å; I510-I514 HydrophobicContact CG2-CG1 4.4Å; I510-I514 WeakPolarHBondContact O-CB 3.44Å; I510-I514 VanDerWaalsContact O-CG1 3.24Å; I510-I514 WeakPolarHBondContact O-CG1 2.92Å; I510-I514 PolarHBondContact O-N 3.43Å
511L96.6Very high94Very high87 Ų8758.3 Ų58.346%0.45529%0.285SS..Hα-helixtrans-59.4-50176.5179.863.4000111.5F335 L507 G508 A509 F513 I514 L515F335-L511 HydrophobicContact CD2-CD2 4.33Å; F335-L511 HydrophobicContact CD2-CG 4.31Å; L507-L511 WeakPolarHBondContact O-CB 3.24Å; L507-L511 PolarHBondContact O-N 2.03Å; G508-L511 PolarHBondContact O-N 2.67Å; A509-L511 VanDerWaalsContact C-N 3.34Å; A509-L511 PolarHBondContact O-N 2.91Å; L511-F513 PolarHBondContact O-N 2.91Å; L511-I514 PolarHBondContact O-N 2.88Å; L511-L515 HydrophobicContact CD1-CD1 3.82Å; L511-L515 HydrophobicContact CD1-CG 4.17Å; L511-L515 HydrophobicContact CG-CD1 3.93Å; L511-L515 WeakPolarHBondContact O-CB 3.24Å; L511-L515 VanDerWaalsContact O-CG 3.28Å; L511-L515 WeakPolarHBondContact O-CG 3.35Å; L511-L515 PolarHBondContact O-N 3.38Å
512G95.7Very high94.2Very high0 Ų057.6 Ų57.60%028%0.279CS..Hα-helixtrans-59.1-46.6178.100000112.4G508 A509 L515 V516G508-G512 PolarHBondContact O-N 2.75Å; A509-G512 PolarHBondContact O-N 2.81Å; G512-L515 PolarHBondContact O-N 2.64Å; G512-V516 VanDerWaalsContact O-CB 3.27Å; G512-V516 WeakPolarHBondContact O-CB 3.33Å; G512-V516 VanDerWaalsContact O-CG2 3.23Å; G512-V516 WeakPolarHBondContact O-CG2 3.34Å; G512-V516 PolarHBondContact O-N 3.2Å
513F95.3Very high94.3Very high58 Ų5859.3 Ų59.325%0.25429%0.286SS..Hα-helixtrans-62.1-44.9178.2-172.7-91.8000112.4A51 Y52 I55 A509 I510 L511 V517 Y518A51-F513 HydrophobicContact CB-CD2 4.33Å; Y52-F513 AromaticContact CD1-CE2 3.7Å; Y52-F513 HydrophobicContact CD1-CE2 3.7Å; Y52-F513 HydrophobicContact CD1-CZ 4.34Å; Y52-F513 AromaticContact CE1-CE2 3.76Å; Y52-F513 HydrophobicContact CE1-CE2 3.76Å; Y52-F513 HydrophobicContact CE1-CZ 4.02Å; Y52-F513 HydrophobicContact CG-CE2 4.17Å; I55-F513 HydrophobicContact CB-CD2 4.44Å; I55-F513 HydrophobicContact CD1-CB 3.83Å; I55-F513 HydrophobicContact CD1-CG 4.22Å; I55-F513 HydrophobicContact CG1-CB 3.64Å; I55-F513 HydrophobicContact CG1-CD2 3.55Å; I55-F513 HydrophobicContact CG1-CE2 4.35Å; I55-F513 HydrophobicContact CG1-CG 3.69Å; A509-F513 VanDerWaalsContact O-CB 3.31Å; A509-F513 WeakPolarHBondContact O-CB 2.99Å; A509-F513 PolarHBondContact O-N 2.9Å; I510-F513 PolarHBondContact O-N 3.45Å; L511-F513 PolarHBondContact O-N 2.91Å; F513-V517 HydrophobicContact CD1-CB 4.4Å; F513-V517 HydrophobicContact CD2-CB 4.32Å; F513-V517 HydrophobicContact CD2-CG2 3.83Å; F513-V517 HydrophobicContact CE1-CB 4.2Å; F513-V517 HydrophobicContact CE1-CG1 4.23Å; F513-V517 HydrophobicContact CE2-CB 4.13Å; F513-V517 HydrophobicContact CE2-CG1 4.25Å; F513-V517 HydrophobicContact CE2-CG2 3.75Å; F513-V517 HydrophobicContact CG-CB 4.46Å; F513-V517 HydrophobicContact CG-CG2 4.35Å; F513-V517 HydrophobicContact CZ-CB 4.06Å; F513-V517 HydrophobicContact CZ-CG1 3.88Å; F513-V517 HydrophobicContact CZ-CG2 4.2Å; F513-V517 WeakPolarHBondContact O-CA 3.3Å; F513-V517 VanDerWaalsContact O-CB 3.28Å; F513-V517 WeakPolarHBondContact O-CB 3.2Å; F513-V517 PolarHBondContact O-N 2.81Å; F513-Y518 PolarHBondContact O-N 2.89Å
514I95.5Very high94.3Very high66 Ų6655.7 Ų55.734%0.33828%0.276SS..Iπ-helixtrans-62.5-45.8177.8-71.9170.4000110.7I510 L511 Y518 F519I510-I514 HydrophobicContact CG2-CD1 3.64Å; I510-I514 HydrophobicContact CG2-CG1 4.4Å; I510-I514 WeakPolarHBondContact O-CB 3.44Å; I510-I514 VanDerWaalsContact O-CG1 3.24Å; I510-I514 WeakPolarHBondContact O-CG1 2.92Å; I510-I514 PolarHBondContact O-N 3.43Å; L511-I514 PolarHBondContact O-N 2.88Å; I514-Y518 WeakPolarHBondContact O-CB 3.46Å; I514-Y518 PolarHBondContact O-N 3.35Å; I514-F519 HydrophobicContact CG2-CD2 3.44Å; I514-F519 VanDerWaalsContact CG2-CD2 3.44Å; I514-F519 HydrophobicContact CG2-CE2 3.27Å; I514-F519 HydrophobicContact CG2-CZ 4.37Å; I514-F519 PolarHBondContact O-N 3.02Å
515L95.6Very high93.9Very high39 Ų3961.1 Ų61.120%0.20430%0.3CS..Iπ-helixtrans-68.5-40.8-178.6-67.5174.3000112.8F335 L511 G512 F519 Q520 L521 F522F335-L515 HydrophobicContact CD2-CD1 4.41Å; F335-L515 HydrophobicContact CE2-CD1 3.7Å; L511-L515 HydrophobicContact CD1-CD1 3.82Å; L511-L515 HydrophobicContact CD1-CG 4.17Å; L511-L515 HydrophobicContact CG-CD1 3.93Å; L511-L515 WeakPolarHBondContact O-CB 3.24Å; L511-L515 VanDerWaalsContact O-CG 3.28Å; L511-L515 WeakPolarHBondContact O-CG 3.35Å; L511-L515 PolarHBondContact O-N 3.38Å; G512-L515 PolarHBondContact O-N 2.64Å; L515-F519 HydrophobicContact CD2-CD2 4.37Å; L515-Q520 PolarHBondContact O-N 3.38Å; L515-L521 HydrophobicContact CD2-CD2 4.32Å; L515-L521 PolarHBondContact O-N 3.45Å; L515-F522 HydrophobicContact CB-CE2 4.21Å
516V94.6Very high93.4Very high4 Ų465.9 Ų65.92%0.02432%0.324CS..Iπ-helixtrans-81.4-49.2-176.21730000112.1A51 A338 I339 Y342 G512 Q520 F522A51-V516 HydrophobicContact CB-CB 4.01Å; A51-V516 HydrophobicContact CB-CG1 3.87Å; A338-V516 HydrophobicContact CB-CG2 4.4Å; I339-V516 HydrophobicContact CG2-CG2 3.83Å; Y342-V516 HydrophobicContact CE2-CG1 3.61Å; Y342-V516 HydrophobicContact CE2-CG2 4.26Å; Y342-V516 WeakPolarHBondContact OH-CG1 3.35Å; G512-V516 VanDerWaalsContact O-CB 3.27Å; G512-V516 WeakPolarHBondContact O-CB 3.33Å; G512-V516 VanDerWaalsContact O-CG2 3.23Å; G512-V516 WeakPolarHBondContact O-CG2 3.34Å; G512-V516 PolarHBondContact O-N 3.2Å; V516-Q520 WeakPolarHBondContact O-CA 3.49Å; V516-F522 HydrophobicContact CG2-CD2 3.82Å; V516-F522 HydrophobicContact CG2-CE2 4.17Å
517V92.4Very high92.4Very high30 Ų3067.1 Ų67.118%0.18233%0.33CS..Iπ-helixtrans-93.6-47-169.9179.80000111.8A51 Y52 F513 Q520A51-V517 HydrophobicContact CB-CG2 3.96Å; Y52-V517 HydrophobicContact CD2-CG2 4.33Å; Y52-V517 HydrophobicContact CE1-CG1 4.49Å; Y52-V517 HydrophobicContact CE2-CG1 4.35Å; Y52-V517 HydrophobicContact CE2-CG2 3.78Å; Y52-V517 VanDerWaalsContact OH-CG1 3.24Å; Y52-V517 WeakPolarHBondContact OH-CG1 3.46Å; F513-V517 HydrophobicContact CD1-CB 4.4Å; F513-V517 HydrophobicContact CD2-CB 4.32Å; F513-V517 HydrophobicContact CD2-CG2 3.83Å; F513-V517 HydrophobicContact CE1-CB 4.2Å; F513-V517 HydrophobicContact CE1-CG1 4.23Å; F513-V517 HydrophobicContact CE2-CB 4.13Å; F513-V517 HydrophobicContact CE2-CG1 4.25Å; F513-V517 HydrophobicContact CE2-CG2 3.75Å; F513-V517 HydrophobicContact CG-CB 4.46Å; F513-V517 HydrophobicContact CG-CG2 4.35Å; F513-V517 HydrophobicContact CZ-CB 4.06Å; F513-V517 HydrophobicContact CZ-CG1 3.88Å; F513-V517 HydrophobicContact CZ-CG2 4.2Å; F513-V517 WeakPolarHBondContact O-CA 3.3Å; F513-V517 VanDerWaalsContact O-CB 3.28Å; F513-V517 WeakPolarHBondContact O-CB 3.2Å; F513-V517 PolarHBondContact O-N 2.81Å; V517-Q520 WeakPolarHBondContact O-CG 3.32Å
518Y90.3Very high91.5Very high173 Ų17364.6 Ų64.668%0.67832%0.319SS*.Iπ-helixtrans-80.1-57.4-174.4-176.7-96.1000112F513 I514 Q520F513-Y518 PolarHBondContact O-N 2.89Å; I514-Y518 WeakPolarHBondContact O-CB 3.46Å; I514-Y518 PolarHBondContact O-N 3.35Å; Y518-Q520 VanDerWaalsContact C-N 3.35Å
519F93.3Very high90.2Very high133 Ų13369.2 Ų69.258%0.58334%0.343SS*.SBendtrans-79.9-17178.8-68.7-57.9000113.5I514 L515 L521I514-F519 HydrophobicContact CG2-CD2 3.44Å; I514-F519 VanDerWaalsContact CG2-CD2 3.44Å; I514-F519 HydrophobicContact CG2-CE2 3.27Å; I514-F519 HydrophobicContact CG2-CZ 4.37Å; I514-F519 PolarHBondContact O-N 3.02Å; L515-F519 HydrophobicContact CD2-CD2 4.37Å; F519-L521 PolarHBondContact O-N 2.9Å
520Q91.5Very high88Confident83 Ų8378.2 Ų78.239%0.38839%0.385SS..  trans49.142.1-177.9-54.4-165-44.700112.7L515 V516 V517 Y518 F522 K523L515-Q520 PolarHBondContact O-N 3.38Å; V516-Q520 WeakPolarHBondContact O-CA 3.49Å; V517-Q520 WeakPolarHBondContact O-CG 3.32Å; Y518-Q520 VanDerWaalsContact C-N 3.35Å; Q520-F522 VanDerWaalsContact C-N 3.28Å; Q520-F522 PolarHBondContact O-N 2.9Å; Q520-K523 WeakPolarHBondContact O-CE 3.21Å; Q520-K523 PolarHBondContact O-NZ 3.41Å
521L92.9Very high85.4Confident105 Ų10581.4 Ų81.455%0.5541%0.408SS..  trans-63.9-36.5-173.9-173.766.1000111.4L515 F519L515-L521 HydrophobicContact CD2-CD2 4.32Å; L515-L521 PolarHBondContact O-N 3.45Å; F519-L521 PolarHBondContact O-N 2.9Å
522F93.8Very high84.9Confident8 Ų881.1 Ų81.14%0.03541%0.405CS..SBendtrans-96.8131.2179-48.9-70.7000110.5I339 Y342 A445 L515 V516 Q520I339-F522 HydrophobicContact CB-CE2 4.42Å; I339-F522 HydrophobicContact CG2-CD2 3.91Å; I339-F522 HydrophobicContact CG2-CE2 3.4Å; I339-F522 VanDerWaalsContact CG2-CE2 3.4Å; I339-F522 HydrophobicContact CG2-CZ 3.9Å; Y342-F522 HydrophobicContact CD1-CB 3.36Å; Y342-F522 HydrophobicContact CD2-CB 3.99Å; Y342-F522 HydrophobicContact CE1-CB 3.72Å; Y342-F522 VanDerWaalsContact CE1-O 3.24Å; Y342-F522 WeakPolarHBondContact CE1-O 3.46Å; Y342-F522 HydrophobicContact CE2-CB 4.32Å; Y342-F522 HydrophobicContact CG-CB 3.49Å; Y342-F522 VanDerWaalsContact CG-CB 3.49Å; Y342-F522 HydrophobicContact CG-CG 4.29Å; A445-F522 HydrophobicContact CB-CD1 3.81Å; A445-F522 HydrophobicContact CB-CE1 3.77Å; A445-F522 HydrophobicContact CB-CZ 4.47Å; A445-F522 VanDerWaalsContact O-CD1 3.25Å; A445-F522 WeakPolarHBondContact O-CD1 3.2Å; L515-F522 HydrophobicContact CB-CE2 4.21Å; V516-F522 HydrophobicContact CG2-CD2 3.82Å; V516-F522 HydrophobicContact CG2-CE2 4.17Å; Q520-F522 VanDerWaalsContact C-N 3.28Å; Q520-F522 PolarHBondContact O-N 2.9Å
523K93Very high84.3Confident108 Ų10885.4 Ų85.447%0.4743%0.427SS..  trans-104.6133.7-176.8-59-54.8-174.6-163.40110.9S448 Q520S448-K523 CarbonylContact C-O 3.6Å; S448-K523 WeakPolarHBondContact CB-O 3.48Å; S448-K523 PolarHBondContact OG-O 3.14Å; Q520-K523 WeakPolarHBondContact O-CE 3.21Å; Q520-K523 PolarHBondContact O-NZ 3.41Å
524S91.3Very high83.7Confident50 Ų5086.9 Ų86.935%0.3544%0.436SS..PPolyproline II helixtrans-81.3149.3175.154.50000111.5L526S524-L526 PolarHBondContact O-N 2.73Å
525K86.1Confident83Confident114 Ų11488.1 Ų88.150%0.49644%0.442SS..PPolyproline II helixtrans-72.3122.3170.1-174.9176.9-179.6179.60109.2W47 P449W47-K525 HydrophobicContact CH2-CB 3.68Å; W47-K525 HydrophobicContact CZ2-CB 3.96Å; P449-K525 HydrophobicContact CB-CB 4.13Å
526L82.6Confident82.2Confident104 Ų10491.2 Ų91.255%0.54546%0.457SS..PPolyproline II helixtrans-73.2126.4172.7-84.385.3000108.7S524 I529S524-L526 PolarHBondContact O-N 2.73Å; L526-I529 HydrophobicContact CB-CB 4.29Å; L526-I529 HydrophobicContact CB-CD1 3.92Å; L526-I529 HydrophobicContact CB-CG1 4.24Å; L526-I529 HydrophobicContact CD2-CD1 3.65Å; L526-I529 HydrophobicContact CG-CD1 4.38Å
527P74.5Confident81.4Confident58 Ų5897 Ų9738%0.37749%0.486SS..THydrogen-bonded Turntrans-67.6142.1176.433.3-37.5000109.1P202 F204 I529P202-P527 HydrophobicContact CB-CB 3.73Å; P202-P527 HydrophobicContact CB-CG 3.9Å; P202-P527 HydrophobicContact CG-CB 4.21Å; P202-P527 HydrophobicContact CG-CG 3.8Å; F204-P527 HydrophobicContact CZ-CB 4.33Å; F204-P527 HydrophobicContact CZ-CG 4.34Å; P527-I529 VanDerWaalsContact C-N 3.28Å; P527-I529 PolarHBondContact O-N 2.97Å
528C75.5Confident80.6Confident41 Ų41101.8 Ų101.828%0.27751%0.508SS..THydrogen-bonded Turntrans705-179.1-52.80000118.4C189 V200C189-C528 WeakPolarHBondContact CA-SG 3.17Å; C189-C528 HydrophobicContact CB-CB 3.79Å; C189-C528 WeakPolarHBondContact CB-SG 3.21Å; C189-C528 WeakPolarHBondContact SG-CA 3.47Å; C189-C528 WeakPolarHBondContact SG-CB 3.43Å; C189-C528 CovalentContact SG-SG 2.03Å; C189-C528 PolarHBondContact SG-SG 3.06Å; V200-C528 HydrophobicContact CG1-CB 3.87Å
529I69.3Low79.8Confident100 Ų10096.3 Ų96.351%0.51349%0.494SS..  trans-104.8106166.9-57.3-179.1000107L526 P527 V531L526-I529 HydrophobicContact CB-CB 4.29Å; L526-I529 HydrophobicContact CB-CD1 3.92Å; L526-I529 HydrophobicContact CB-CG1 4.24Å; L526-I529 HydrophobicContact CD2-CD1 3.65Å; L526-I529 HydrophobicContact CG-CD1 4.38Å; P527-I529 VanDerWaalsContact C-N 3.28Å; P527-I529 PolarHBondContact O-N 2.97Å; I529-V531 PolarHBondContact O-N 3.38Å
530Q51.1Low78.7Confident190 Ų19093.3 Ų93.389%0.88849%0.487SS*.  trans-67.9119.1167.3-69.1-173.3-21.800107.3
531V42.9Very low77.6Confident158 Ų15894.2 Ų94.296%0.95850%0.496SS*.  trans-77.80168.8-179.70000109I529I529-V531 PolarHBondContact O-N 3.38Å

Retrieved 531 of 531 residues in 284.2 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).