A0A5K4F5X8_SCHMA Loading...

Putative rRNA methyltransferase AlphaSync

Probable methyltransferase involved in the maturation of rRNA and in the biogenesis of ribosomal subunits.

AlphaFold DB , UniProt , Accession A0A5K4F5X8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 885 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low53.1Low255 Ų255150.4 Ų150.4100%1.25676%0.76SS**  0155.80-75.7-172.3-9800109.9
2G50.4Low55.3Low67 Ų67149.3 Ų149.369%0.69175%0.746SS**  trans-135.3135.917000000110.4K4G2-K4 PolarHBondContact O-N 2.9Å
3K52.4Low57.6Low200 Ų200140 Ų14087%0.8770%0.7SS**  trans-52.5130.1-178.2-70.1179.4176.2179.10110I5K3-I5 PolarHBondContact O-N 2.59Å
4K50.5Low60.1Low198 Ų198141.9 Ų141.986%0.86170%0.702SS**  trans-73.464.4-172-72.3178.4179.1167.70112.9G2 K6G2-K4 PolarHBondContact O-N 2.9Å; K4-K6 PolarHBondContact O-N 3.28Å
5I49.6Very low62.2Low149 Ų149135 Ų13576%0.76467%0.667SS**  trans-67.7-19.7178.2-62.8167.5000112.2K3 T7K3-I5 PolarHBondContact O-N 2.59Å; I5-T7 VanDerWaalsContact C-N 3.26Å; I5-T7 PolarHBondContact O-N 3.47Å
6K51.3Low64.1Low201 Ų201132.1 Ų132.187%0.87465%0.647SS**  trans-7677.3171.5-69.8-177.2-179.11740110.7K4 G8K4-K6 PolarHBondContact O-N 3.28Å; K6-G8 PolarHBondContact O-N 3.33Å
7T52.9Low65.8Low121 Ų121130.2 Ų130.274%0.74263%0.634SS**  trans-53106.8162.5-40.70000107.6I5 K9I5-T7 VanDerWaalsContact C-N 3.26Å; I5-T7 PolarHBondContact O-N 3.47Å; T7-K9 PolarHBondContact O-N 3.03Å
8G56.6Low67.4Low32 Ų32125.9 Ų125.933%0.3361%0.614SS.*  trans-64.6105.2-163.600000111.6K6 A10 R11K6-G8 PolarHBondContact O-N 3.33Å; G8-A10 PolarHBondContact O-N 3.46Å; G8-R11 WeakPolarHBondContact O-CB 3.48Å; G8-R11 PolarHBondContact O-N 3.24Å
9K54.4Low68.8Low211 Ų211119.4 Ų119.492%0.91758%0.583SS**THydrogen-bonded Turntrans-55.8-21.5174.6-72.6-173.2173.1-174.70112.8T7T7-K9 PolarHBondContact O-N 3.03Å
10A59.2Low70Confident49 Ų49120.1 Ų120.141%0.40558%0.583SS.*THydrogen-bonded Turntrans-84.4-4.2173.100000115.4G8G8-A10 PolarHBondContact O-N 3.46Å
11R65.6Low71.2Confident171 Ų171121.5 Ų121.565%0.64559%0.588SS**SBendtrans-68.5-37.8177.4-73.2-163.6-167.9179.97.5112.3G8 D13 R187G8-R11 WeakPolarHBondContact O-CB 3.48Å; G8-R11 PolarHBondContact O-N 3.24Å; R11-D13 PolarHBondContact O-N 3.47Å; R11-R187 PolarHBondContact O-NH2 3.4Å
12K79.3Confident73.7Confident137 Ų137112.2 Ų112.260%0.59655%0.546SS*.SBendtrans-9576.2175.3-61.8-172.5-179.6-175.40108.7Y16 F17K12-Y16 HydrophobicContact CB-CD1 4.22Å; K12-Y16 HydrophobicContact CG-CD1 4.24Å; K12-Y16 HydrophobicContact CG-CE1 4.2Å; K12-F17 HydrophobicContact CB-CE2 3.71Å; K12-F17 HydrophobicContact CB-CZ 3.69Å; K12-F17 HydrophobicContact CD-CE1 4.43Å; K12-F17 HydrophobicContact CD-CZ 3.99Å; K12-F17 HydrophobicContact CG-CZ 4.4Å; K12-F17 WeakPolarHBondContact O-CE2 3.3Å
13D85.6Confident75.8Confident29 Ų29111.4 Ų111.416%0.15554%0.538CS..  trans-83.3169.4177.760.1-69.6000112.7R11 F15 Y16 F17 R27 R187R11-D13 PolarHBondContact O-N 3.47Å; D13-F15 PolarHBondContact O-N 3.24Å; D13-F15 VanDerWaalsContact O-N 3.15Å; D13-Y16 WeakPolarHBondContact O-CA 3.46Å; D13-Y16 VanDerWaalsContact O-CB 3.3Å; D13-Y16 WeakPolarHBondContact O-CB 3.35Å; D13-Y16 PolarHBondContact O-N 3.49Å; D13-F17 WeakPolarHBondContact O-CD2 3.44Å; D13-F17 PolarHBondContact O-N 3.36Å; D13-R27 WeakPolarHBondContact OD1-CD 3.32Å; D13-R27 IonicContact OD1-CZ 2.89Å; D13-R27 IonicContact OD1-NE 3.79Å; D13-R27 IonicContact OD1-NH1 2.93Å; D13-R27 PolarHBondContact OD1-NH1 3.02Å; D13-R27 IonicContact OD2-CZ 3.19Å; D13-R27 IonicContact OD2-NH1 3.74Å; D13-R27 PolarHBondContact OD2-NH1 3Å; D13-R187 IonicContact OD1-CZ 3.94Å; D13-R187 IonicContact OD1-NE 3.2Å; D13-R187 IonicContact OD1-NH2 3.17Å; D13-R187 PolarHBondContact OD1-NH2 2.57Å
14K91.6Very high77.8Confident166 Ų166102.8 Ų102.872%0.72250%0.5SS*.Hα-helixtrans-49.9-43179.9-175.7-175.3179.6-174.10112.4Y16 F17 L18K14-Y16 VanDerWaalsContact C-N 3.3Å; K14-Y16 PolarHBondContact O-N 3.35Å; K14-F17 PolarHBondContact O-N 3.47Å; K14-L18 WeakPolarHBondContact O-CB 3.39Å; K14-L18 PolarHBondContact O-N 2.77Å
15F92.9Very high79.9Confident39 Ų3997.2 Ų97.217%0.17147%0.474CS..Hα-helixtrans-73.9-18.4-179.7-61.5-78.5000113.7D13 A19 R27 F30 E184 A185D13-F15 PolarHBondContact O-N 3.24Å; D13-F15 VanDerWaalsContact O-N 3.15Å; F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 3.42Å; F15-A19 PolarHBondContact O-N 3.06Å; F15-A19 VanDerWaalsContact O-N 3.1Å; F15-R27 HydrophobicContact CB-CB 4.15Å; F15-R27 WeakPolarHBondContact O-CB 3.44Å; F15-F30 HydrophobicContact CB-CD2 4.34Å; F15-F30 HydrophobicContact CD1-CB 3.98Å; F15-F30 HydrophobicContact CD1-CD2 4.23Å; F15-F30 HydrophobicContact CD1-CG 4Å; F15-E184 WeakPolarHBondContact CE2-O 3.34Å; F15-E184 HydrophobicContact CZ-CB 4.49Å; F15-A185 HydrophobicContact CD1-CB 4.04Å; F15-A185 HydrophobicContact CD2-CB 4.23Å; F15-A185 HydrophobicContact CE1-CB 4.17Å; F15-A185 HydrophobicContact CE2-CB 4.36Å; F15-A185 HydrophobicContact CG-CB 4.06Å; F15-A185 HydrophobicContact CZ-CB 4.32Å
16Y92.4Very high82Confident89 Ų8991.5 Ų91.535%0.34945%0.447SS..Hα-helixtrans-72.9-47.7170.7176.5-88.1000111K12 D13 K14 A19 K20K12-Y16 HydrophobicContact CB-CD1 4.22Å; K12-Y16 HydrophobicContact CG-CD1 4.24Å; K12-Y16 HydrophobicContact CG-CE1 4.2Å; D13-Y16 WeakPolarHBondContact O-CA 3.46Å; D13-Y16 VanDerWaalsContact O-CB 3.3Å; D13-Y16 WeakPolarHBondContact O-CB 3.35Å; D13-Y16 PolarHBondContact O-N 3.49Å; K14-Y16 VanDerWaalsContact C-N 3.3Å; K14-Y16 PolarHBondContact O-N 3.35Å; Y16-A19 PolarHBondContact O-N 2.84Å; Y16-K20 HydrophobicContact CE1-CG 4.39Å; Y16-K20 PolarHBondContact O-N 3.18Å
17F92.6Very high84Confident99 Ų9983.6 Ų83.643%0.43441%0.412SS..Hα-helixtrans-63.7-47.7175.4-68.3-70.6000111.4K12 D13 K14 A19 K20 E21K12-F17 HydrophobicContact CB-CE2 3.71Å; K12-F17 HydrophobicContact CB-CZ 3.69Å; K12-F17 HydrophobicContact CD-CE1 4.43Å; K12-F17 HydrophobicContact CD-CZ 3.99Å; K12-F17 HydrophobicContact CG-CZ 4.4Å; K12-F17 WeakPolarHBondContact O-CE2 3.3Å; D13-F17 WeakPolarHBondContact O-CD2 3.44Å; D13-F17 PolarHBondContact O-N 3.36Å; K14-F17 PolarHBondContact O-N 3.47Å; F17-A19 PolarHBondContact O-N 3Å; F17-K20 WeakPolarHBondContact O-CA 3.31Å; F17-K20 WeakPolarHBondContact O-CB 3.44Å; F17-K20 PolarHBondContact O-N 3.13Å; F17-E21 WeakPolarHBondContact O-CG 3.02Å; F17-E21 PolarHBondContact O-N 3.04Å
18L94Very high86Confident53 Ų5378.4 Ų78.428%0.27738%0.381SS..Hα-helixtrans-58-35.1176.5-168.368.5000112.1K14 E21 T22 F30K14-L18 WeakPolarHBondContact O-CB 3.39Å; K14-L18 PolarHBondContact O-N 2.77Å; L18-E21 PolarHBondContact O-N 2.81Å; L18-T22 HydrophobicContact CD1-CG2 4.42Å; L18-T22 HydrophobicContact CG-CG2 4.44Å; L18-T22 WeakPolarHBondContact O-CB 3.4Å; L18-T22 WeakPolarHBondContact O-CG2 3.47Å; L18-T22 PolarHBondContact O-N 2.81Å; L18-T22 PolarHBondContact O-OG1 3.22Å; L18-F30 HydrophobicContact CB-CE2 4.1Å; L18-F30 HydrophobicContact CB-CZ 4.19Å; L18-F30 HydrophobicContact CD2-CD1 4.32Å; L18-F30 HydrophobicContact CD2-CE1 3.69Å; L18-F30 HydrophobicContact CD2-CE2 4.04Å; L18-F30 HydrophobicContact CD2-CZ 3.55Å; L18-F30 HydrophobicContact CG-CE1 4.18Å; L18-F30 HydrophobicContact CG-CE2 3.97Å; L18-F30 HydrophobicContact CG-CZ 3.55Å
19A94.7Very high87.9Confident2 Ų276.9 Ų76.92%0.01737%0.366CS..Hα-helixtrans-66.2-40.8175.600000112.2F15 Y16 F17 T22 G23 F24 F30F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 3.42Å; F15-A19 PolarHBondContact O-N 3.06Å; F15-A19 VanDerWaalsContact O-N 3.1Å; Y16-A19 PolarHBondContact O-N 2.84Å; F17-A19 PolarHBondContact O-N 3Å; A19-T22 PolarHBondContact O-N 2.88Å; A19-T22 PolarHBondContact O-OG1 2.84Å; A19-G23 PolarHBondContact O-N 2.84Å; A19-G23 VanDerWaalsContact O-N 3.12Å; A19-F24 CarbonylContact C-O 3.57Å; A19-F24 HydrophobicContact CB-CB 4.15Å; A19-F24 PolarHBondContact O-N 2.86Å; A19-F24 VanDerWaalsContact O-O 3.14Å; A19-F30 HydrophobicContact CB-CD2 4.45Å; A19-F30 HydrophobicContact CB-CE2 3.94Å
20K92.8Very high89.9Confident133 Ų13368 Ų6858%0.57833%0.327SS*.Hα-helixtrans-64.9-44.2174.4-69.1-62.9-170.1175.50111.7Y16 F17 T22 G23Y16-K20 HydrophobicContact CE1-CG 4.39Å; Y16-K20 PolarHBondContact O-N 3.18Å; F17-K20 WeakPolarHBondContact O-CA 3.31Å; F17-K20 WeakPolarHBondContact O-CB 3.44Å; F17-K20 PolarHBondContact O-N 3.13Å; K20-T22 PolarHBondContact O-N 3.44Å; K20-G23 PolarHBondContact O-N 3.36Å
21E94.8Very high91.7Very high150 Ų15066.1 Ų66.170%0.70131%0.31SS*.Hα-helixtrans-60.9-40.8175.9-69.2163.8-169.100112.5F17 L18F17-E21 WeakPolarHBondContact O-CG 3.02Å; F17-E21 PolarHBondContact O-N 3.04Å; L18-E21 PolarHBondContact O-N 2.81Å
22T94.1Very high93.2Very high60 Ų6058 Ų5837%0.36828%0.279SS..THydrogen-bonded Turntrans-88.63-179.460.80000114.8L18 A19 K20 F24 F30L18-T22 HydrophobicContact CD1-CG2 4.42Å; L18-T22 HydrophobicContact CG-CG2 4.44Å; L18-T22 WeakPolarHBondContact O-CB 3.4Å; L18-T22 WeakPolarHBondContact O-CG2 3.47Å; L18-T22 PolarHBondContact O-N 2.81Å; L18-T22 PolarHBondContact O-OG1 3.22Å; A19-T22 PolarHBondContact O-N 2.88Å; A19-T22 PolarHBondContact O-OG1 2.84Å; K20-T22 PolarHBondContact O-N 3.44Å; T22-F24 PolarHBondContact O-N 2.99Å; T22-F24 WeakPolarHBondContact OG1-CD2 3.33Å; T22-F30 HydrophobicContact CG2-CZ 4.29Å
23G94Very high94Very high50 Ų5052.3 Ų52.352%0.51526%0.255SS..THydrogen-bonded Turntrans71.719.2-178.100000115.9A19 K20 Q60A19-G23 PolarHBondContact O-N 2.84Å; A19-G23 VanDerWaalsContact O-N 3.12Å; K20-G23 PolarHBondContact O-N 3.36Å; G23-Q60 PolarHBondContact O-NE2 2.88Å; G23-Q60 VanDerWaalsContact O-NE2 3.09Å
24F95.9Very high94.5Very high19 Ų1952.9 Ų52.98%0.08326%0.257CS..  trans-83.9132.5171.9-71.2-55.6000110.8A19 T22 S26 A29 F30 I33 Q60 V61 K64A19-F24 CarbonylContact C-O 3.57Å; A19-F24 HydrophobicContact CB-CB 4.15Å; A19-F24 PolarHBondContact O-N 2.86Å; A19-F24 VanDerWaalsContact O-O 3.14Å; T22-F24 PolarHBondContact O-N 2.99Å; T22-F24 WeakPolarHBondContact OG1-CD2 3.33Å; F24-S26 PolarHBondContact O-N 3.3Å; F24-A29 HydrophobicContact CB-CB 3.82Å; F24-A29 HydrophobicContact CD1-CB 3.81Å; F24-A29 HydrophobicContact CD2-CB 3.91Å; F24-A29 HydrophobicContact CE1-CB 4.35Å; F24-A29 HydrophobicContact CE2-CB 4.45Å; F24-A29 HydrophobicContact CG-CB 3.59Å; F24-F30 HydrophobicContact CD2-CE2 4.2Å; F24-F30 AromaticContact CD2-CZ 4Å; F24-F30 HydrophobicContact CD2-CZ 4Å; F24-F30 HydrophobicContact CE2-CZ 4.31Å; F24-I33 HydrophobicContact CE2-CD1 3.71Å; F24-I33 HydrophobicContact CZ-CD1 3.89Å; F24-Q60 HydrophobicContact CD1-CB 3.93Å; F24-Q60 HydrophobicContact CE1-CB 4.13Å; F24-V61 HydrophobicContact CD1-CG2 4.38Å; F24-V61 HydrophobicContact CE1-CG2 3.78Å; F24-V61 HydrophobicContact CZ-CG2 4.02Å; F24-K64 HydrophobicContact CE1-CD 4.13Å; F24-K64 HydrophobicContact CZ-CD 4.2Å
25R94.5Very high94.7Very high82 Ų8245 Ų4531%0.30922%0.223SC..SBendtrans-61.7-30.5-178.4-69.9178.7-176.1177.32.9113P55 H81 P82R25-P55 HydrophobicContact CB-CG 4.26Å; R25-P55 WeakPolarHBondContact CD-O 3.48Å; R25-P55 PolarHBondContact NH1-O 3.15Å; R25-H81 VanDerWaalsContact CZ-O 3.25Å; R25-H81 PolarHBondContact NH1-O 2.96Å; R25-H81 PolarHBondContact NH2-O 3.11Å; R25-P82 PolarHBondContact NH2-O 3.08Å
26S93.1Very high94.9Very high28 Ų2843.4 Ų43.420%0.19622%0.216CC..SBendtrans-143.6154.5177.981.40000112.5F24 A28 A29F24-S26 PolarHBondContact O-N 3.3Å; S26-A28 PolarHBondContact O-N 3.02Å; S26-A28 VanDerWaalsContact O-N 3.1Å; S26-A28 WeakPolarHBondContact OG-CB 3.36Å; S26-A28 PolarHBondContact OG-N 2.69Å; S26-A29 WeakPolarHBondContact O-CB 3.33Å; S26-A29 PolarHBondContact O-N 3.25Å
27R93.4Very high95Very high35 Ų3548.4 Ų48.413%0.13223%0.234CC..THydrogen-bonded Turntrans-62.1-13.5171.675.1-175.8-159.1103.822113.6D13 F15 A29 F30 A185D13-R27 WeakPolarHBondContact OD1-CD 3.32Å; D13-R27 IonicContact OD1-CZ 2.89Å; D13-R27 IonicContact OD1-NE 3.79Å; D13-R27 IonicContact OD1-NH1 2.93Å; D13-R27 PolarHBondContact OD1-NH1 3.02Å; D13-R27 IonicContact OD2-CZ 3.19Å; D13-R27 IonicContact OD2-NH1 3.74Å; D13-R27 PolarHBondContact OD2-NH1 3Å; F15-R27 HydrophobicContact CB-CB 4.15Å; F15-R27 WeakPolarHBondContact O-CB 3.44Å; R27-A29 PolarHBondContact O-N 3.01Å; R27-F30 PolarHBondContact O-N 2.95Å; R27-A185 PolarHBondContact NH1-O 3.39Å
28A94.9Very high95.1Very high13 Ų1351.2 Ų51.211%0.10724%0.242CC..Hα-helixtrans-65.1-27.2177.500000111.7S26 F30 K31 L32 W58S26-A28 PolarHBondContact O-N 3.02Å; S26-A28 VanDerWaalsContact O-N 3.1Å; S26-A28 WeakPolarHBondContact OG-CB 3.36Å; S26-A28 PolarHBondContact OG-N 2.69Å; A28-F30 PolarHBondContact O-N 2.9Å; A28-K31 HydrophobicContact CB-CD 4.37Å; A28-K31 WeakPolarHBondContact O-CA 3.5Å; A28-K31 VanDerWaalsContact O-CB 3.23Å; A28-K31 WeakPolarHBondContact O-CB 3.48Å; A28-K31 PolarHBondContact O-N 2.93Å; A28-L32 PolarHBondContact O-N 3.33Å; A28-W58 PolarHBondContact O-NE1 3.01Å
29A96.8Very high95.1Very high0 Ų050.1 Ų50.10%024%0.235CC..Hα-helixtrans-47.9-46.1170.400000112.2F24 S26 R27 K31 L32 I33 G57 V61F24-A29 HydrophobicContact CB-CB 3.82Å; F24-A29 HydrophobicContact CD1-CB 3.81Å; F24-A29 HydrophobicContact CD2-CB 3.91Å; F24-A29 HydrophobicContact CE1-CB 4.35Å; F24-A29 HydrophobicContact CE2-CB 4.45Å; F24-A29 HydrophobicContact CG-CB 3.59Å; S26-A29 WeakPolarHBondContact O-CB 3.33Å; S26-A29 PolarHBondContact O-N 3.25Å; R27-A29 PolarHBondContact O-N 3.01Å; A29-K31 VanDerWaalsContact C-N 3.29Å; A29-K31 PolarHBondContact O-N 3.23Å; A29-L32 PolarHBondContact O-N 2.93Å; A29-I33 WeakPolarHBondContact O-CG1 3.31Å; A29-I33 PolarHBondContact O-N 2.76Å; A29-G57 WeakPolarHBondContact CB-O 3.47Å; A29-V61 HydrophobicContact CB-CG2 3.66Å
30F96.4Very high95.1Very high24 Ų2457.1 Ų57.111%0.10527%0.265CS..Hα-helixtrans-66.9-26.2178.2-69.7-70.4000114.1F15 L18 A19 T22 F24 R27 A28 I33 Q34 A185F15-F30 HydrophobicContact CB-CD2 4.34Å; F15-F30 HydrophobicContact CD1-CB 3.98Å; F15-F30 HydrophobicContact CD1-CD2 4.23Å; F15-F30 HydrophobicContact CD1-CG 4Å; L18-F30 HydrophobicContact CB-CE2 4.1Å; L18-F30 HydrophobicContact CB-CZ 4.19Å; L18-F30 HydrophobicContact CD2-CD1 4.32Å; L18-F30 HydrophobicContact CD2-CE1 3.69Å; L18-F30 HydrophobicContact CD2-CE2 4.04Å; L18-F30 HydrophobicContact CD2-CZ 3.55Å; L18-F30 HydrophobicContact CG-CE1 4.18Å; L18-F30 HydrophobicContact CG-CE2 3.97Å; L18-F30 HydrophobicContact CG-CZ 3.55Å; A19-F30 HydrophobicContact CB-CD2 4.45Å; A19-F30 HydrophobicContact CB-CE2 3.94Å; T22-F30 HydrophobicContact CG2-CZ 4.29Å; F24-F30 HydrophobicContact CD2-CE2 4.2Å; F24-F30 AromaticContact CD2-CZ 4Å; F24-F30 HydrophobicContact CD2-CZ 4Å; F24-F30 HydrophobicContact CE2-CZ 4.31Å; R27-F30 PolarHBondContact O-N 2.95Å; A28-F30 PolarHBondContact O-N 2.9Å; F30-I33 HydrophobicContact CD1-CD1 4.04Å; F30-I33 HydrophobicContact CE1-CD1 4.24Å; F30-Q34 WeakPolarHBondContact O-CB 3.5Å; F30-Q34 VanDerWaalsContact O-CG 3.23Å; F30-Q34 WeakPolarHBondContact O-CG 3.48Å; F30-Q34 PolarHBondContact O-N 2.72Å; F30-A185 HydrophobicContact CB-CB 3.72Å
31K96Very high95.2Very high9 Ų950.9 Ų50.94%0.03924%0.238CC..Hα-helixtrans-64.1-48.8172-55.3176.7176.9-178.10109.8A28 A29 Q34 L35 D117 P183 A185 E192 F194A28-K31 HydrophobicContact CB-CD 4.37Å; A28-K31 WeakPolarHBondContact O-CA 3.5Å; A28-K31 VanDerWaalsContact O-CB 3.23Å; A28-K31 WeakPolarHBondContact O-CB 3.48Å; A28-K31 PolarHBondContact O-N 2.93Å; A29-K31 VanDerWaalsContact C-N 3.29Å; A29-K31 PolarHBondContact O-N 3.23Å; K31-Q34 PolarHBondContact O-N 2.95Å; K31-L35 WeakPolarHBondContact O-CG 3.29Å; K31-L35 PolarHBondContact O-N 3.09Å; K31-D117 IonicContact NZ-OD1 2.99Å; K31-D117 IonicContact NZ-OD2 3.88Å; K31-P183 HydrophobicContact CB-CG 3.95Å; K31-P183 HydrophobicContact CG-CG 4.26Å; K31-A185 HydrophobicContact CG-CB 4.05Å; K31-E192 WeakPolarHBondContact CE-OE1 3.34Å; K31-E192 VanDerWaalsContact NZ-CD 3.28Å; K31-E192 IonicContact NZ-OE1 3.7Å; K31-E192 PolarHBondContact NZ-OE1 2.72Å; K31-E192 IonicContact NZ-OE2 2.65Å; K31-E192 PolarHBondContact NZ-OE2 2.88Å; K31-F194 HydrophobicContact CD-CE2 3.84Å; K31-F194 HydrophobicContact CD-CZ 3.61Å
32L97.1Very high95.2Very high0 Ų043.7 Ų43.70%020%0.204CC..Hα-helixtrans-66.6-41.8179-175.958.2000111.8A28 A29 Q34 L35 N36 F41 L42 W58 V61 L115A28-L32 PolarHBondContact O-N 3.33Å; A29-L32 PolarHBondContact O-N 2.93Å; L32-Q34 VanDerWaalsContact C-N 3.3Å; L32-Q34 PolarHBondContact O-N 3.45Å; L32-L35 PolarHBondContact O-N 3.01Å; L32-N36 PolarHBondContact O-N 2.83Å; L32-F41 HydrophobicContact CD1-CE2 4.34Å; L32-F41 HydrophobicContact CD1-CZ 3.95Å; L32-L42 HydrophobicContact CD2-CD1 4.42Å; L32-L42 HydrophobicContact CG-CD1 4.29Å; L32-W58 HydrophobicContact CB-CD2 4.09Å; L32-W58 HydrophobicContact CB-CG 4.1Å; L32-W58 HydrophobicContact CB-CZ2 4.37Å; L32-W58 HydrophobicContact CD2-CB 3.76Å; L32-W58 HydrophobicContact CD2-CD2 3.98Å; L32-W58 HydrophobicContact CD2-CE3 4.33Å; L32-W58 HydrophobicContact CD2-CG 3.76Å; L32-W58 HydrophobicContact CG-CD2 4.45Å; L32-V61 HydrophobicContact CD2-CB 4.13Å; L32-V61 HydrophobicContact CD2-CG1 4.16Å; L32-V61 HydrophobicContact CG-CG1 4.18Å; L32-L115 HydrophobicContact CD1-CD1 3.97Å; L32-L115 HydrophobicContact CD1-CD2 4.3Å; L32-L115 HydrophobicContact CD2-CD1 3.7Å
33I96.7Very high95.1Very high19 Ų1944.3 Ų44.310%0.09721%0.205CC..Hα-helixtrans-57.2-43.2173.5-66.9165.2000111F24 A29 F30 N36 R37 V61F24-I33 HydrophobicContact CE2-CD1 3.71Å; F24-I33 HydrophobicContact CZ-CD1 3.89Å; A29-I33 WeakPolarHBondContact O-CG1 3.31Å; A29-I33 PolarHBondContact O-N 2.76Å; F30-I33 HydrophobicContact CD1-CD1 4.04Å; F30-I33 HydrophobicContact CE1-CD1 4.24Å; I33-N36 PolarHBondContact O-N 3.07Å; I33-R37 HydrophobicContact CG2-CG 4.45Å; I33-R37 WeakPolarHBondContact O-CB 3.34Å; I33-R37 VanDerWaalsContact O-CG 3.27Å; I33-R37 WeakPolarHBondContact O-CG 3.29Å; I33-R37 PolarHBondContact O-N 2.88Å; I33-V61 HydrophobicContact CD1-CG2 3.96Å; I33-V61 HydrophobicContact CG1-CB 4.42Å; I33-V61 HydrophobicContact CG1-CG1 3.66Å; I33-V61 HydrophobicContact CG1-CG2 3.81Å
34Q96.1Very high95Very high41 Ų4145.8 Ų45.819%0.19221%0.207CC..Hα-helixtrans-69.5-34.6178.5-74.6175.1-9.700112.9F30 K31 L32 R38 P183F30-Q34 WeakPolarHBondContact O-CB 3.5Å; F30-Q34 VanDerWaalsContact O-CG 3.23Å; F30-Q34 WeakPolarHBondContact O-CG 3.48Å; F30-Q34 PolarHBondContact O-N 2.72Å; K31-Q34 PolarHBondContact O-N 2.95Å; L32-Q34 VanDerWaalsContact C-N 3.3Å; L32-Q34 PolarHBondContact O-N 3.45Å; Q34-R38 PolarHBondContact O-N 3.16Å; Q34-P183 HydrophobicContact CB-CB 3.99Å
35L96.4Very high94.9Very high1 Ų145 Ų451%0.00520%0.204CC..Hα-helixtrans-67.8-45171.9-69169.4000111.3K31 L32 R38 F39 F41 V155 I181 F194 V196K31-L35 WeakPolarHBondContact O-CG 3.29Å; K31-L35 PolarHBondContact O-N 3.09Å; L32-L35 PolarHBondContact O-N 3.01Å; L35-R38 PolarHBondContact O-N 3.27Å; L35-R38 VanDerWaalsContact O-N 3.16Å; L35-F39 WeakPolarHBondContact O-CD2 3.48Å; L35-F39 PolarHBondContact O-N 3.3Å; L35-F41 HydrophobicContact CB-CE1 4.46Å; L35-V155 HydrophobicContact CD1-CG1 4.02Å; L35-I181 HydrophobicContact CD2-CB 4.24Å; L35-I181 HydrophobicContact CD2-CG2 3.77Å; L35-F194 HydrophobicContact CD1-CB 4.21Å; L35-F194 HydrophobicContact CD1-CD1 4.12Å; L35-F194 HydrophobicContact CD1-CD2 4.49Å; L35-F194 HydrophobicContact CD1-CG 4Å; L35-V196 HydrophobicContact CD2-CG2 4.31Å
36N96.2Very high95Very high5 Ų548 Ų483%0.02722%0.22CC..Hα-helixtrans-64.9-39.7176.7-167.247.9000111.8L32 I33 R38 F39 K40 F41 L42 N43 E65L32-N36 PolarHBondContact O-N 2.83Å; I33-N36 PolarHBondContact O-N 3.07Å; N36-R38 PolarHBondContact O-N 3.28Å; N36-R38 VanDerWaalsContact O-N 3.14Å; N36-F39 PolarHBondContact O-N 2.95Å; N36-K40 VanDerWaalsContact O-CA 3.28Å; N36-K40 WeakPolarHBondContact O-CA 3.24Å; N36-K40 PolarHBondContact O-N 2.85Å; N36-K40 WeakPolarHBondContact OD1-CA 3.46Å; N36-F41 PolarHBondContact OD1-N 3.22Å; N36-F41 VanDerWaalsContact OD1-N 3.13Å; N36-L42 HydrophobicContact CB-CD1 3.92Å; N36-L42 HydrophobicContact CB-CG 4.24Å; N36-L42 PolarHBondContact OD1-N 2.89Å; N36-N43 PolarHBondContact ND2-OD1 3.47Å; N36-E65 PolarHBondContact ND2-OE2 3.44Å
37R95.4Very high95.1Very high194 Ų19447 Ų4773%0.73221%0.212SC*.Hα-helixtrans-57.2-30.8173.7-78.9174.6-179.8-165.2-0.9113.5I33I33-R37 HydrophobicContact CG2-CG 4.45Å; I33-R37 WeakPolarHBondContact O-CB 3.34Å; I33-R37 VanDerWaalsContact O-CG 3.27Å; I33-R37 WeakPolarHBondContact O-CG 3.29Å; I33-R37 PolarHBondContact O-N 2.88Å
38R94.7Very high95.3Very high158 Ų15845.4 Ų45.460%0.59621%0.206SC*.Hα-helixtrans-84.7-25-179.2-174.6168.3178.2176.30.6114Q34 L35 N36Q34-R38 PolarHBondContact O-N 3.16Å; L35-R38 PolarHBondContact O-N 3.27Å; L35-R38 VanDerWaalsContact O-N 3.16Å; N36-R38 PolarHBondContact O-N 3.28Å; N36-R38 VanDerWaalsContact O-N 3.14Å
39F94.3Very high95.5Very high30 Ų3044.8 Ų44.813%0.13220%0.201CC..Hα-helixtrans-128.7-21.4-170-67.4-55.4000115.7L35 N36 F41 W153 R179 I181 V196L35-F39 WeakPolarHBondContact O-CD2 3.48Å; L35-F39 PolarHBondContact O-N 3.3Å; N36-F39 PolarHBondContact O-N 2.95Å; F39-F41 VanDerWaalsContact C-N 3.29Å; F39-F41 HydrophobicContact CB-CD1 3.66Å; F39-F41 HydrophobicContact CB-CE1 4.25Å; F39-F41 HydrophobicContact CD2-CD1 4.48Å; F39-F41 HydrophobicContact CD2-CE1 4.38Å; F39-F41 PolarHBondContact O-N 2.84Å; F39-W153 HydrophobicContact CB-CH2 4.31Å; F39-W153 HydrophobicContact CB-CZ3 4.05Å; F39-W153 HydrophobicContact CD1-CZ3 4.33Å; F39-W153 HydrophobicContact CG-CZ3 4.17Å; F39-R179 HydrophobicContact CZ-CB 4.36Å; F39-I181 HydrophobicContact CE1-CD1 4.41Å; F39-I181 HydrophobicContact CE2-CD1 3.33Å; F39-I181 HydrophobicContact CZ-CD1 3.21Å; F39-V196 HydrophobicContact CD2-CG1 4.12Å; F39-V196 HydrophobicContact CE2-CB 4.07Å; F39-V196 HydrophobicContact CE2-CG1 3.76Å; F39-V196 HydrophobicContact CE2-CG2 3.89Å; F39-V196 HydrophobicContact CZ-CB 4.45Å; F39-V196 HydrophobicContact CZ-CG1 4.16Å
40K93.5Very high95.5Very high149 Ų14944.8 Ų44.865%0.64820%0.201SC*.  trans52.739.6179.5-56.4-176.4178.8-176.50114N36N36-K40 VanDerWaalsContact O-CA 3.28Å; N36-K40 WeakPolarHBondContact O-CA 3.24Å; N36-K40 PolarHBondContact O-N 2.85Å; N36-K40 WeakPolarHBondContact OD1-CA 3.46Å
41F94.6Very high95.6Very high1 Ų143.7 Ų43.70%0.00420%0.196CC..  trans-80.9-25.8-178.961.1-103000113.4L32 L35 N36 F39 S44 S45 V113 L115 W153 V155L32-F41 HydrophobicContact CD1-CE2 4.34Å; L32-F41 HydrophobicContact CD1-CZ 3.95Å; L35-F41 HydrophobicContact CB-CE1 4.46Å; N36-F41 PolarHBondContact OD1-N 3.22Å; N36-F41 VanDerWaalsContact OD1-N 3.13Å; F39-F41 VanDerWaalsContact C-N 3.29Å; F39-F41 HydrophobicContact CB-CD1 3.66Å; F39-F41 HydrophobicContact CB-CE1 4.25Å; F39-F41 HydrophobicContact CD2-CD1 4.48Å; F39-F41 HydrophobicContact CD2-CE1 4.38Å; F39-F41 PolarHBondContact O-N 2.84Å; F41-S44 PolarHBondContact O-OG 3.1Å; F41-S45 WeakPolarHBondContact O-CB 3Å; F41-S45 PolarHBondContact O-OG 2.83Å; F41-V113 HydrophobicContact CD2-CG1 3.99Å; F41-V113 HydrophobicContact CD2-CG2 3.88Å; F41-V113 HydrophobicContact CE2-CG1 3.98Å; F41-L115 HydrophobicContact CE2-CD2 4.12Å; F41-L115 HydrophobicContact CZ-CD2 4.45Å; F41-W153 HydrophobicContact CB-CD2 3.71Å; F41-W153 HydrophobicContact CB-CE3 4Å; F41-W153 HydrophobicContact CB-CG 4.04Å; F41-W153 HydrophobicContact CB-CZ2 4.29Å; F41-W153 HydrophobicContact CB-CZ3 4.38Å; F41-W153 HydrophobicContact CD1-CE3 4.1Å; F41-W153 HydrophobicContact CD1-CZ3 4.33Å; F41-W153 HydrophobicContact CG-CD2 4.33Å; F41-W153 HydrophobicContact CG-CE3 4.27Å; F41-V155 HydrophobicContact CE1-CG2 4.26Å; F41-V155 HydrophobicContact CZ-CG2 4Å
42L95.4Very high95.6Very high0 Ų044.5 Ų44.50%020%0.203CC..SBendtrans-70.7-42.2-179.2-65.6178.6000111.8L32 N36 S44 S45 L48 V61 E65 M66L32-L42 HydrophobicContact CD2-CD1 4.42Å; L32-L42 HydrophobicContact CG-CD1 4.29Å; N36-L42 HydrophobicContact CB-CD1 3.92Å; N36-L42 HydrophobicContact CB-CG 4.24Å; N36-L42 PolarHBondContact OD1-N 2.89Å; L42-S44 PolarHBondContact O-N 2.92Å; L42-S45 PolarHBondContact O-N 2.94Å; L42-S45 VanDerWaalsContact O-N 3.09Å; L42-L48 HydrophobicContact CD2-CD1 3.37Å; L42-V61 HydrophobicContact CD1-CG1 4.2Å; L42-E65 HydrophobicContact CB-CB 4.06Å; L42-E65 HydrophobicContact CD1-CB 4.01Å; L42-E65 HydrophobicContact CD1-CG 4.34Å; L42-M66 HydrophobicContact CB-CG 4.21Å
43N92.7Very high95.6Very high73 Ų7344.8 Ų44.839%0.3921%0.205SC..THydrogen-bonded Turntrans-68.1-21.4-170.4-48.793.2000113.3N36 E65N36-N43 PolarHBondContact ND2-OD1 3.47Å; N43-E65 PolarHBondContact ND2-O 3.12Å; N43-E65 PolarHBondContact ND2-OE2 3.49Å
44S91Very high95.4Very high80 Ų8045.8 Ų45.856%0.55922%0.216SC*.THydrogen-bonded Turntrans-99.4-0.3176.856.10000114.2F41 L42F41-S44 PolarHBondContact O-OG 3.1Å; L42-S44 PolarHBondContact O-N 2.92Å
45S94.3Very high95.4Very high2 Ų247 Ų471%0.01423%0.228CC..  trans-99.8135.8-174.2-66.20000111.7F41 L42 M66 P67 V113F41-S45 WeakPolarHBondContact O-CB 3Å; F41-S45 PolarHBondContact O-OG 2.83Å; L42-S45 PolarHBondContact O-N 2.94Å; L42-S45 VanDerWaalsContact O-N 3.09Å; S45-M66 WeakPolarHBondContact O-CE 3.46Å; S45-P67 WeakPolarHBondContact O-CD 3.39Å; S45-V113 WeakPolarHBondContact OG-CG2 3.29Å
46K95.1Very high95.3Very high147 Ų14746.9 Ų46.964%0.63923%0.227SC*.SBendtrans-96.8-36.9175.5-62.6-177.7178.1-176.80111.7S70 H71 D112K46-S70 CarbonylContact O-C 3.56Å; K46-S70 WeakPolarHBondContact O-CA 3.49Å; K46-S70 WeakPolarHBondContact O-CB 3.24Å; K46-H71 PolarHBondContact O-N 3.24Å; K46-D112 WeakPolarHBondContact CA-OD2 3.14Å; K46-D112 PolarHBondContact N-OD2 3.05Å
47V97Very high95.3Very high7 Ų746.8 Ų46.84%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-121123.7-176.7-175.40000110.6H71 L106 A111 D112 V113V47-H71 WeakPolarHBondContact CA-O 3.47Å; V47-L106 HydrophobicContact CG1-CD2 3.52Å; V47-A111 HydrophobicContact CG1-CB 4.25Å; V47-D112 PolarHBondContact N-OD2 2.7Å; V47-D112 WeakPolarHBondContact O-CB 3.5Å; V47-D112 PolarHBondContact O-N 3.32Å; V47-V113 PolarHBondContact O-N 2.63Å
48L97.8Very high95.4Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-130.2133.7178.7-175.6147.7000111.7L42 D50 A62 M66 H71 I72 I73 V113 L115L42-L48 HydrophobicContact CD2-CD1 3.37Å; L48-D50 HydrophobicContact CD2-CB 4.14Å; L48-A62 HydrophobicContact CD1-CB 4.19Å; L48-A62 HydrophobicContact CD2-CB 4.31Å; L48-M66 HydrophobicContact CB-CE 3.62Å; L48-M66 HydrophobicContact CB-SD 3.64Å; L48-M66 HydrophobicContact CD1-SD 3.7Å; L48-M66 HydrophobicContact CG-SD 4.25Å; L48-H71 PolarHBondContact N-O 3.1Å; L48-I72 HydrophobicContact CD2-CG2 4.08Å; L48-I73 PolarHBondContact O-N 2.7Å; L48-V113 WeakPolarHBondContact CA-O 3.36Å; L48-V113 HydrophobicContact CD1-CB 4.09Å; L48-V113 HydrophobicContact CD1-CG1 3.99Å; L48-V113 HydrophobicContact CG-CB 4.25Å; L48-V113 HydrophobicContact CG-CG1 4.37Å; L48-L115 HydrophobicContact CD1-CD1 3.9Å; L48-L115 HydrophobicContact CD1-CG 4.19Å; L48-L115 HydrophobicContact CD2-CD1 4.15Å; L48-L115 HydrophobicContact CD2-CG 4.41Å; L48-L115 HydrophobicContact CG-CD1 4.43Å; L48-L115 HydrophobicContact CG-CG 4.43Å
49I97.9Very high95.5Very high0 Ų030.3 Ų30.30%017%0.165CC..EExtended strand (participates in β ladder)trans-111.9130.9169.5-49.8174.2000108.5L51 I73 L102 L106 A111 V113 V114 L115 F147I49-L51 HydrophobicContact CG2-CD2 3.82Å; I49-L51 HydrophobicContact CG2-CG 4.16Å; I49-I73 CarbonylContact C-O 3.35Å; I49-I73 WeakPolarHBondContact CA-O 3.47Å; I49-L102 HydrophobicContact CD1-CD2 4.29Å; I49-L102 HydrophobicContact CG2-CD1 4.47Å; I49-L102 HydrophobicContact CG2-CD2 4Å; I49-L106 HydrophobicContact CD1-CD1 3.97Å; I49-A111 HydrophobicContact CD1-CB 3.81Å; I49-A111 HydrophobicContact CG1-CB 3.96Å; I49-V113 PolarHBondContact N-O 3.15Å; I49-V114 HydrophobicContact CB-CG2 4.26Å; I49-V114 HydrophobicContact CD1-CG2 4.17Å; I49-V114 HydrophobicContact CG1-CG2 4.47Å; I49-V114 WeakPolarHBondContact O-CA 3.48Å; I49-L115 PolarHBondContact O-N 3.23Å; I49-F147 HydrophobicContact CD1-CB 3.83Å; I49-F147 HydrophobicContact CD1-CG 4.25Å
50D97.9Very high95.6Very high1 Ų130.4 Ų30.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-114.8112.7173.4-162.819.3000109.2L48 A53 W58 L59 I73 G74 V75 L115L48-D50 HydrophobicContact CD2-CB 4.14Å; D50-A53 HydrophobicContact CB-CB 3.96Å; D50-A53 WeakPolarHBondContact OD2-CB 3.47Å; D50-W58 WeakPolarHBondContact OD2-CB 3.37Å; D50-L59 HydrophobicContact CB-CD2 3.57Å; D50-L59 HydrophobicContact CB-CG 4.36Å; D50-L59 PolarHBondContact OD2-N 3.29Å; D50-I73 PolarHBondContact N-O 3.46Å; D50-G74 WeakPolarHBondContact O-CA 3.19Å; D50-V75 PolarHBondContact O-N 3.32Å; D50-L115 HydrophobicContact CB-CB 4.46Å; D50-L115 WeakPolarHBondContact OD1-CB 3.37Å
51L97.3Very high95.7Very high0 Ų023.4 Ų23.40%014%0.136CC..EExtended strand (participates in β ladder)trans-98.6132.8-177.9-60.1174.9000110.1I49 V75 I93 V114 L115 H116 I143I49-L51 HydrophobicContact CG2-CD2 3.82Å; I49-L51 HydrophobicContact CG2-CG 4.16Å; L51-V75 HydrophobicContact CD2-CB 4.35Å; L51-I93 HydrophobicContact CB-CG2 4.44Å; L51-I93 HydrophobicContact CD2-CG2 4.06Å; L51-V114 HydrophobicContact CD1-CG1 3.86Å; L51-V114 HydrophobicContact CG-CG1 4.33Å; L51-L115 WeakPolarHBondContact CB-O 3.2Å; L51-L115 PolarHBondContact N-O 2.66Å; L51-H116 HydrophobicContact CB-CB 4.44Å; L51-H116 WeakPolarHBondContact O-CA 3.45Å; L51-I143 HydrophobicContact CD1-CB 4.17Å; L51-I143 HydrophobicContact CD1-CD1 4.13Å; L51-I143 HydrophobicContact CD1-CG2 4.1Å; L51-I143 HydrophobicContact CD2-CD1 4.32Å; L51-I143 HydrophobicContact CD2-CG2 4.46Å
52C96.6Very high95.8Very high27 Ų2723.4 Ų23.418%0.18214%0.135CC..THydrogen-bonded Turntrans59.151.3-167.3-55.30000111.4A54 V75 D76 G118C52-A54 PolarHBondContact O-N 3.13Å; C52-V75 WeakPolarHBondContact CA-O 3.35Å; C52-V75 PolarHBondContact N-O 3.43Å; C52-D76 WeakPolarHBondContact CA-OD2 3.35Å; C52-G118 VanDerWaalsContact CB-CA 3.42Å
53A96.6Very high95.9Very high5 Ų523.9 Ų23.94%0.04114%0.14CC..  trans-77.2-11.1-169.500000115.3D50 G56 L59 V75 D76 I80D50-A53 HydrophobicContact CB-CB 3.96Å; D50-A53 WeakPolarHBondContact OD2-CB 3.47Å; A53-G56 WeakPolarHBondContact O-CA 3.49Å; A53-G56 PolarHBondContact O-N 2.81Å; A53-L59 HydrophobicContact CB-CD1 3.84Å; A53-L59 HydrophobicContact CB-CD2 4.47Å; A53-L59 HydrophobicContact CB-CG 4.07Å; A53-V75 PolarHBondContact N-O 3.03Å; A53-V75 VanDerWaalsContact N-O 3.16Å; A53-D76 PolarHBondContact N-OD2 2.64Å; A53-I80 HydrophobicContact CB-CD1 3.66Å
54A92.8Very high96Very high40 Ų4026.8 Ų26.833%0.33115%0.149SC..THydrogen-bonded Turntrans-64.4138.6-176.100000112.2C52 D76 V78 I80C52-A54 PolarHBondContact O-N 3.13Å; A54-D76 HydrophobicContact CB-CB 4.08Å; A54-D76 WeakPolarHBondContact CB-OD1 3.44Å; A54-D76 VanDerWaalsContact CB-OD2 3.24Å; A54-D76 WeakPolarHBondContact CB-OD2 3.43Å; A54-D76 PolarHBondContact N-OD2 2.95Å; A54-V78 HydrophobicContact CB-CB 4.42Å; A54-I80 HydrophobicContact CB-CG1 4.17Å
55P95Very high96.2Very high66 Ų6626.4 Ų26.443%0.42914%0.138SC..THydrogen-bonded Turncis-88.8166.737-38.3000114.7R25R25-P55 HydrophobicContact CB-CG 4.26Å; R25-P55 WeakPolarHBondContact CD-O 3.48Å; R25-P55 PolarHBondContact NH1-O 3.15Å
56G95.1Very high96.2Very high0 Ų026.9 Ų26.90%014%0.14CC..  trans96.418.1-178.600000114.6A53 W58 Q60 I83A53-G56 WeakPolarHBondContact O-CA 3.49Å; A53-G56 PolarHBondContact O-N 2.81Å; G56-W58 VanDerWaalsContact C-N 3.34Å; G56-W58 PolarHBondContact O-N 2.79Å; G56-Q60 WeakPolarHBondContact O-CG 3.43Å; G56-Q60 PolarHBondContact O-N 3.34Å; G56-I83 WeakPolarHBondContact O-CD1 3.38Å
57G95.6Very high96.2Very high2 Ų222.4 Ų22.42%0.02113%0.126CC..THydrogen-bonded Turntrans-68.2-29.4-179.200000114.1A29A29-G57 WeakPolarHBondContact CB-O 3.47Å
58W97.2Very high95.8Very high6 Ų628.8 Ų28.82%0.02316%0.158CC..THydrogen-bonded Turntrans-80.1-45.4175.2-8223.5000111.1A28 L32 D50 G56 Q60 V61 A62 L115 D117 V155 F194A28-W58 PolarHBondContact O-NE1 3.01Å; L32-W58 HydrophobicContact CB-CD2 4.09Å; L32-W58 HydrophobicContact CB-CG 4.1Å; L32-W58 HydrophobicContact CB-CZ2 4.37Å; L32-W58 HydrophobicContact CD2-CB 3.76Å; L32-W58 HydrophobicContact CD2-CD2 3.98Å; L32-W58 HydrophobicContact CD2-CE3 4.33Å; L32-W58 HydrophobicContact CD2-CG 3.76Å; L32-W58 HydrophobicContact CG-CD2 4.45Å; D50-W58 WeakPolarHBondContact OD2-CB 3.37Å; G56-W58 VanDerWaalsContact C-N 3.34Å; G56-W58 PolarHBondContact O-N 2.79Å; W58-Q60 VanDerWaalsContact C-N 3.3Å; W58-Q60 PolarHBondContact O-N 3.47Å; W58-V61 WeakPolarHBondContact O-CA 3.17Å; W58-V61 WeakPolarHBondContact O-CB 3.26Å; W58-V61 PolarHBondContact O-N 3Å; W58-A62 PolarHBondContact O-N 2.86Å; W58-L115 HydrophobicContact CE3-CB 3.82Å; W58-L115 HydrophobicContact CE3-CD1 3.77Å; W58-L115 HydrophobicContact CE3-CG 4.3Å; W58-L115 HydrophobicContact CZ3-CB 3.84Å; W58-L115 HydrophobicContact CZ3-CD1 4.25Å; W58-L115 HydrophobicContact CZ3-CD2 4.33Å; W58-L115 HydrophobicContact CZ3-CG 4.37Å; W58-D117 HydrophobicContact CD2-CB 4.12Å; W58-D117 HydrophobicContact CE3-CB 4.13Å; W58-D117 HydrophobicContact CH2-CB 3.95Å; W58-D117 HydrophobicContact CZ2-CB 3.89Å; W58-D117 HydrophobicContact CZ3-CB 4.05Å; W58-V155 HydrophobicContact CH2-CG1 4.38Å; W58-F194 AromaticContact CH2-CD1 3.99Å; W58-F194 HydrophobicContact CH2-CD1 3.99Å; W58-F194 AromaticContact CH2-CE1 3.52Å; W58-F194 HydrophobicContact CH2-CE1 3.52Å; W58-F194 HydrophobicContact CH2-CZ 4.46Å; W58-F194 HydrophobicContact CZ2-CD1 4.36Å; W58-F194 AromaticContact CZ2-CE1 3.57Å; W58-F194 HydrophobicContact CZ2-CE1 3.57Å; W58-F194 HydrophobicContact CZ2-CZ 4.09Å
59L97.3Very high95.5Very high0 Ų034.8 Ų34.80%019%0.194CC..Hα-helixtrans-48.6-44.5168.1-61.4176.5000113.8D50 A53 V61 A62 A63 I72 I80 I83 V86 T88D50-L59 HydrophobicContact CB-CD2 3.57Å; D50-L59 HydrophobicContact CB-CG 4.36Å; D50-L59 PolarHBondContact OD2-N 3.29Å; A53-L59 HydrophobicContact CB-CD1 3.84Å; A53-L59 HydrophobicContact CB-CD2 4.47Å; A53-L59 HydrophobicContact CB-CG 4.07Å; L59-V61 PolarHBondContact O-N 3.35Å; L59-A62 PolarHBondContact O-N 2.91Å; L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 3.46Å; L59-I72 HydrophobicContact CD2-CG2 3.96Å; L59-I80 HydrophobicContact CD1-CD1 4Å; L59-I80 HydrophobicContact CD1-CG2 4.47Å; L59-I83 HydrophobicContact CB-CD1 3.65Å; L59-I83 HydrophobicContact CD1-CD1 4.14Å; L59-V86 HydrophobicContact CB-CG1 4.23Å; L59-V86 HydrophobicContact CD1-CG1 3.97Å; L59-V86 HydrophobicContact CD2-CG1 3.81Å; L59-V86 HydrophobicContact CG-CG1 4.21Å; L59-T88 HydrophobicContact CD1-CG2 3.89Å
60Q96.7Very high95.3Very high33 Ų3335.3 Ų35.315%0.15420%0.198CC..Hα-helixtrans-63-25.2175.7-79-174.2-55.700114.3G23 F24 G56 W58 K64 I83G23-Q60 PolarHBondContact O-NE2 2.88Å; G23-Q60 VanDerWaalsContact O-NE2 3.09Å; F24-Q60 HydrophobicContact CD1-CB 3.93Å; F24-Q60 HydrophobicContact CE1-CB 4.13Å; G56-Q60 WeakPolarHBondContact O-CG 3.43Å; G56-Q60 PolarHBondContact O-N 3.34Å; W58-Q60 VanDerWaalsContact C-N 3.3Å; W58-Q60 PolarHBondContact O-N 3.47Å; Q60-K64 WeakPolarHBondContact O-CG 3.34Å; Q60-I83 HydrophobicContact CG-CD1 4.01Å; Q60-I83 HydrophobicContact CG-CG1 4.46Å; Q60-I83 HydrophobicContact CG-CG2 4.42Å
61V96.6Very high95.2Very high2 Ų240.2 Ų40.21%0.01222%0.221CC..Hα-helixtrans-83.7-44.2175.2173.30000109.7F24 A29 L32 I33 L42 W58 L59 A63 K64 E65F24-V61 HydrophobicContact CD1-CG2 4.38Å; F24-V61 HydrophobicContact CE1-CG2 3.78Å; F24-V61 HydrophobicContact CZ-CG2 4.02Å; A29-V61 HydrophobicContact CB-CG2 3.66Å; L32-V61 HydrophobicContact CD2-CB 4.13Å; L32-V61 HydrophobicContact CD2-CG1 4.16Å; L32-V61 HydrophobicContact CG-CG1 4.18Å; I33-V61 HydrophobicContact CD1-CG2 3.96Å; I33-V61 HydrophobicContact CG1-CB 4.42Å; I33-V61 HydrophobicContact CG1-CG1 3.66Å; I33-V61 HydrophobicContact CG1-CG2 3.81Å; L42-V61 HydrophobicContact CD1-CG1 4.2Å; W58-V61 WeakPolarHBondContact O-CA 3.17Å; W58-V61 WeakPolarHBondContact O-CB 3.26Å; W58-V61 PolarHBondContact O-N 3Å; L59-V61 PolarHBondContact O-N 3.35Å; V61-A63 PolarHBondContact O-N 3.2Å; V61-K64 PolarHBondContact O-N 3.25Å; V61-K64 VanDerWaalsContact O-N 3.11Å; V61-E65 HydrophobicContact CG1-CG 4.01Å; V61-E65 WeakPolarHBondContact O-CB 3.14Å; V61-E65 WeakPolarHBondContact O-CG 3.32Å; V61-E65 PolarHBondContact O-N 3.42Å
62A96.7Very high95.2Very high0 Ų040.4 Ų40.40%022%0.222CC..Hα-helixtrans-54.6-49.4174.900000111.5L48 W58 L59 K64 E65 M66 I72L48-A62 HydrophobicContact CD1-CB 4.19Å; L48-A62 HydrophobicContact CD2-CB 4.31Å; W58-A62 PolarHBondContact O-N 2.86Å; L59-A62 PolarHBondContact O-N 2.91Å; A62-K64 PolarHBondContact O-N 2.81Å; A62-K64 VanDerWaalsContact O-N 3.08Å; A62-E65 PolarHBondContact O-N 3.44Å; A62-M66 HydrophobicContact CB-SD 3.97Å; A62-M66 VanDerWaalsContact O-CB 3.29Å; A62-M66 WeakPolarHBondContact O-CB 3.39Å; A62-M66 WeakPolarHBondContact O-CG 2.94Å; A62-M66 PolarHBondContact O-N 2.88Å; A62-I72 HydrophobicContact CB-CD1 4.02Å; A62-I72 HydrophobicContact CB-CG2 4.1Å
63A95.7Very high95.2Very high11 Ų1139.4 Ų39.49%0.09121%0.214CC..Hα-helixtrans-65.7-11.9179.900000115.5L59 V61 I72 K85 V86L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 3.46Å; V61-A63 PolarHBondContact O-N 3.2Å; A63-I72 HydrophobicContact CB-CD1 4.12Å; A63-K85 PolarHBondContact O-NZ 3.35Å; A63-V86 HydrophobicContact CB-CG2 3.88Å
64K94.7Very high95.2Very high134 Ų13439.1 Ų39.158%0.58321%0.212SC*.Hα-helixtrans-99.5-35.5174.2-72.7-179.5-179.3-176.50113.2F24 Q60 V61 A62F24-K64 HydrophobicContact CE1-CD 4.13Å; F24-K64 HydrophobicContact CZ-CD 4.2Å; Q60-K64 WeakPolarHBondContact O-CG 3.34Å; V61-K64 PolarHBondContact O-N 3.25Å; V61-K64 VanDerWaalsContact O-N 3.11Å; A62-K64 PolarHBondContact O-N 2.81Å; A62-K64 VanDerWaalsContact O-N 3.08Å
65E95.2Very high95.4Very high71 Ų7137.3 Ų37.333%0.33220%0.197SC..Hα-helixtrans-95.4-26-172.5-68.7-78.1163.700113.8N36 L42 N43 V61 A62N36-E65 PolarHBondContact ND2-OE2 3.44Å; L42-E65 HydrophobicContact CB-CB 4.06Å; L42-E65 HydrophobicContact CD1-CB 4.01Å; L42-E65 HydrophobicContact CD1-CG 4.34Å; N43-E65 PolarHBondContact ND2-O 3.12Å; N43-E65 PolarHBondContact ND2-OE2 3.49Å; V61-E65 HydrophobicContact CG1-CG 4.01Å; V61-E65 WeakPolarHBondContact O-CB 3.14Å; V61-E65 WeakPolarHBondContact O-CG 3.32Å; V61-E65 PolarHBondContact O-N 3.42Å; A62-E65 PolarHBondContact O-N 3.44Å
66M95.4Very high95.5Very high12 Ų1235 Ų356%0.05918%0.181CC..SBendtrans-83.4156.2179.4-65.3-179.972.300111.9L42 S45 L48 A62 S70 I72L42-M66 HydrophobicContact CB-CG 4.21Å; S45-M66 WeakPolarHBondContact O-CE 3.46Å; L48-M66 HydrophobicContact CB-CE 3.62Å; L48-M66 HydrophobicContact CB-SD 3.64Å; L48-M66 HydrophobicContact CD1-SD 3.7Å; L48-M66 HydrophobicContact CG-SD 4.25Å; A62-M66 HydrophobicContact CB-SD 3.97Å; A62-M66 VanDerWaalsContact O-CB 3.29Å; A62-M66 WeakPolarHBondContact O-CB 3.39Å; A62-M66 WeakPolarHBondContact O-CG 2.94Å; A62-M66 PolarHBondContact O-N 2.88Å; M66-S70 WeakPolarHBondContact CB-OG 3.32Å; M66-I72 HydrophobicContact CB-CD1 4.46Å; M66-I72 HydrophobicContact CE-CG1 4.4Å; M66-I72 HydrophobicContact SD-CD1 3.89Å; M66-I72 HydrophobicContact SD-CG1 3.86Å
67P94.1Very high95.5Very high54 Ų5440.7 Ų40.735%0.35121%0.211SC..  trans-54.7151.3174-25.535.4000113.3S45 T69 S70S45-P67 WeakPolarHBondContact O-CD 3.39Å; P67-T69 PolarHBondContact O-N 2.94Å; P67-T69 VanDerWaalsContact O-N 3.13Å; P67-S70 VanDerWaalsContact O-CB 3.26Å; P67-S70 WeakPolarHBondContact O-CB 3.1Å; P67-S70 PolarHBondContact O-N 2.88Å; P67-S70 PolarHBondContact O-OG 3.29Å
68M90Very high95.5Very high141 Ų14144.6 Ų44.670%0.69523%0.234SC*.THydrogen-bonded Turntrans-58.1-29.4-177.1-69.7-65-67.500114.3S70 K85M68-S70 VanDerWaalsContact C-N 3.32Å; M68-K85 PolarHBondContact SD-NZ 3.22Å
69T91Very high95.4Very high126 Ų12648.9 Ų48.977%0.77326%0.262SS*.THydrogen-bonded Turntrans-92.117.7179.850.80000113.4P67P67-T69 PolarHBondContact O-N 2.94Å; P67-T69 VanDerWaalsContact O-N 3.13Å
70S94.1Very high95.3Very high11 Ų1149.7 Ų49.78%0.07727%0.267CS..  trans-77148.7178.1540000113.1K46 M66 P67 M68K46-S70 CarbonylContact O-C 3.56Å; K46-S70 WeakPolarHBondContact O-CA 3.49Å; K46-S70 WeakPolarHBondContact O-CB 3.24Å; M66-S70 WeakPolarHBondContact CB-OG 3.32Å; P67-S70 VanDerWaalsContact O-CB 3.26Å; P67-S70 WeakPolarHBondContact O-CB 3.1Å; P67-S70 PolarHBondContact O-N 2.88Å; P67-S70 PolarHBondContact O-OG 3.29Å; M68-S70 VanDerWaalsContact C-N 3.32Å
71H94.7Very high95.2Very high104 Ų10455 Ų5548%0.48129%0.291SS..EExtended strand (participates in β ladder)trans-99.9111.3169.7-65.6-41.1000109.2K46 V47 L48K46-H71 PolarHBondContact O-N 3.24Å; V47-H71 WeakPolarHBondContact CA-O 3.47Å; L48-H71 PolarHBondContact N-O 3.1Å
72I97.2Very high95.2Very high4 Ų460.3 Ų60.32%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-114.6117-178.2-51.8177.6000108L48 L59 A62 A63 M66 V86 K87L48-I72 HydrophobicContact CD2-CG2 4.08Å; L59-I72 HydrophobicContact CD2-CG2 3.96Å; A62-I72 HydrophobicContact CB-CD1 4.02Å; A62-I72 HydrophobicContact CB-CG2 4.1Å; A63-I72 HydrophobicContact CB-CD1 4.12Å; M66-I72 HydrophobicContact CB-CD1 4.46Å; M66-I72 HydrophobicContact CE-CG1 4.4Å; M66-I72 HydrophobicContact SD-CD1 3.89Å; M66-I72 HydrophobicContact SD-CG1 3.86Å; I72-V86 HydrophobicContact CB-CG1 4.41Å; I72-V86 HydrophobicContact CB-CG2 4.16Å; I72-V86 HydrophobicContact CD1-CG2 4.45Å; I72-V86 HydrophobicContact CG2-CG1 4Å; I72-V86 HydrophobicContact CG2-CG2 3.99Å; I72-K87 PolarHBondContact O-N 2.99Å
73I97.2Very high95.1Very high5 Ų561 Ų613%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-115.7126.4-178.7-58.1172.4000108.7L48 I49 D50 V75 K87 F89 L102 E105 L106L48-I73 PolarHBondContact O-N 2.7Å; I49-I73 CarbonylContact C-O 3.35Å; I49-I73 WeakPolarHBondContact CA-O 3.47Å; D50-I73 PolarHBondContact N-O 3.46Å; I73-V75 HydrophobicContact CG2-CG2 4.29Å; I73-K87 CarbonylContact C-O 3.55Å; I73-K87 WeakPolarHBondContact CA-O 3.37Å; I73-F89 HydrophobicContact CG2-CD2 3.88Å; I73-F89 HydrophobicContact CG2-CE2 3.96Å; I73-L102 HydrophobicContact CG2-CD2 3.86Å; I73-E105 HydrophobicContact CD1-CB 4Å; I73-L106 HydrophobicContact CD1-CD2 3.75Å; I73-L106 HydrophobicContact CD1-CG 4Å
74G97.3Very high95Very high0 Ų065.5 Ų65.50%036%0.358CS..EExtended strand (participates in β ladder)trans-111.4134.2170.700000111.6D50 K87 T88 F89D50-G74 WeakPolarHBondContact O-CA 3.19Å; G74-K87 PolarHBondContact N-O 3.39Å; G74-T88 CarbonylContact O-C 3.59Å; G74-T88 VanDerWaalsContact O-CA 3.31Å; G74-T88 WeakPolarHBondContact O-CA 3.26Å; G74-F89 PolarHBondContact O-N 3.46Å
75V97.2Very high94.9Very high1 Ų164.2 Ų64.21%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-124.4132.4174.1-172.20000109.8D50 L51 C52 A53 I73 A91 I93 L102D50-V75 PolarHBondContact O-N 3.32Å; L51-V75 HydrophobicContact CD2-CB 4.35Å; C52-V75 WeakPolarHBondContact CA-O 3.35Å; C52-V75 PolarHBondContact N-O 3.43Å; A53-V75 PolarHBondContact N-O 3.03Å; A53-V75 VanDerWaalsContact N-O 3.16Å; I73-V75 HydrophobicContact CG2-CG2 4.29Å; V75-A91 HydrophobicContact CG1-CB 3.91Å; V75-I93 HydrophobicContact CG1-CG2 4.22Å; V75-L102 HydrophobicContact CG2-CD2 4.02Å
76D97.3Very high95Very high18 Ų1861.7 Ų61.710%0.09634%0.341CS..EExtended strand (participates in β ladder)trans-151.4163.5174.6-158.9-80.7000110.9C52 A53 A54 V78 I80 F89 V90 A91C52-D76 WeakPolarHBondContact CA-OD2 3.35Å; A53-D76 PolarHBondContact N-OD2 2.64Å; A54-D76 HydrophobicContact CB-CB 4.08Å; A54-D76 WeakPolarHBondContact CB-OD1 3.44Å; A54-D76 VanDerWaalsContact CB-OD2 3.24Å; A54-D76 WeakPolarHBondContact CB-OD2 3.43Å; A54-D76 PolarHBondContact N-OD2 2.95Å; D76-V78 VanDerWaalsContact C-N 3.33Å; D76-V78 PolarHBondContact OD1-N 2.91Å; D76-I80 HydrophobicContact CB-CD1 3.98Å; D76-I80 HydrophobicContact CB-CG1 4.26Å; D76-F89 PolarHBondContact N-O 2.92Å; D76-V90 CarbonylContact O-C 3.57Å; D76-V90 VanDerWaalsContact O-CA 3.3Å; D76-V90 WeakPolarHBondContact O-CA 3.41Å; D76-A91 CarbonylContact C-O 3.52Å; D76-A91 PolarHBondContact O-N 3.01Å
77L95Very high95Very high120 Ų12066.4 Ų66.463%0.62836%0.362SS*.SBendtrans-74.5-26.5172.7-174.165.5000111.8V90 D92L77-V90 WeakPolarHBondContact O-CG1 2.9Å; L77-D92 HydrophobicContact CD1-CB 4.24Å
78V94.2Very high95.1Very high84 Ų8465.9 Ų65.951%0.50936%0.358SS..SBendtrans-101.8136.2-178.2-179.30000110.3A54 D76 I80A54-V78 HydrophobicContact CB-CB 4.42Å; D76-V78 VanDerWaalsContact C-N 3.33Å; D76-V78 PolarHBondContact OD1-N 2.91Å; V78-I80 PolarHBondContact O-N 3.47Å
79P96.1Very high95.4Very high95 Ų9561.6 Ų61.662%0.61734%0.335SS*.PPolyproline II helixtrans-5812117622.7-33.8000112.5V90P79-V90 HydrophobicContact CB-CG2 4.09Å
80I95.7Very high95.7Very high17 Ų1760 Ų609%0.08733%0.325CS..PPolyproline II helixtrans-87.6129.6176.3-55.2178.9000108.3A53 A54 L59 D76 V78 I83 T88A53-I80 HydrophobicContact CB-CD1 3.66Å; A54-I80 HydrophobicContact CB-CG1 4.17Å; L59-I80 HydrophobicContact CD1-CD1 4Å; L59-I80 HydrophobicContact CD1-CG2 4.47Å; D76-I80 HydrophobicContact CB-CD1 3.98Å; D76-I80 HydrophobicContact CB-CG1 4.26Å; V78-I80 PolarHBondContact O-N 3.47Å; I80-I83 HydrophobicContact CG2-CD1 4.46Å; I80-T88 HydrophobicContact CB-CG2 4.15Å; I80-T88 HydrophobicContact CD1-CG2 4.35Å; I80-T88 HydrophobicContact CG2-CG2 4.2Å
81H94.9Very high95.8Very high144 Ų14460.1 Ų60.167%0.66733%0.327SS*.PPolyproline II helixtrans-59.8138.4173.7-70.651.7000109.6R25R25-H81 VanDerWaalsContact CZ-O 3.25Å; R25-H81 PolarHBondContact NH1-O 2.96Å; R25-H81 PolarHBondContact NH2-O 3.11Å
82P95.5Very high95.9Very high115 Ų11558.2 Ų58.275%0.74732%0.32SS*.PPolyproline II helixtrans-49.9143.1-175.1-30.535.8000114.1R25R25-P82 PolarHBondContact NH2-O 3.08Å
83I95Very high95.8Very high13 Ų1358.4 Ų58.47%0.06732%0.321CS..BIsolated β-bridgetrans-126.9129.5175.9-63.5169.8000107.3G56 L59 Q60 I80 K85 V86G56-I83 WeakPolarHBondContact O-CD1 3.38Å; L59-I83 HydrophobicContact CB-CD1 3.65Å; L59-I83 HydrophobicContact CD1-CD1 4.14Å; Q60-I83 HydrophobicContact CG-CD1 4.01Å; Q60-I83 HydrophobicContact CG-CG1 4.46Å; Q60-I83 HydrophobicContact CG-CG2 4.42Å; I80-I83 HydrophobicContact CG2-CD1 4.46Å; I83-K85 PolarHBondContact O-N 2.96Å; I83-V86 HydrophobicContact CB-CB 4.09Å; I83-V86 HydrophobicContact CB-CG2 4.15Å; I83-V86 HydrophobicContact CG2-CB 4.26Å; I83-V86 HydrophobicContact CG2-CG2 3.75Å; I83-V86 PolarHBondContact O-N 3.42Å; I83-V86 VanDerWaalsContact O-N 3.13Å
84P93.5Very high95.6Very high107 Ų10761.7 Ų61.770%0.69534%0.342SS*.THydrogen-bonded Turntrans-54.5138.1177.6-26.835000112.4V86P84-V86 PolarHBondContact O-N 3.04Å
85K92.7Very high95.4Very high106 Ų10664.5 Ų64.546%0.46136%0.359SS..THydrogen-bonded Turntrans67.25.6-175.8-41.2175.4-163163.50116.5A63 M68 I83A63-K85 PolarHBondContact O-NZ 3.35Å; M68-K85 PolarHBondContact SD-NZ 3.22Å; I83-K85 PolarHBondContact O-N 2.96Å
86V96.4Very high95.3Very high18 Ų1869 Ų6911%0.10938%0.382CS..EExtended strand (participates in β ladder)trans-119129.9-176.2-1770000110.3L59 A63 I72 I83 P84 T88L59-V86 HydrophobicContact CB-CG1 4.23Å; L59-V86 HydrophobicContact CD1-CG1 3.97Å; L59-V86 HydrophobicContact CD2-CG1 3.81Å; L59-V86 HydrophobicContact CG-CG1 4.21Å; A63-V86 HydrophobicContact CB-CG2 3.88Å; I72-V86 HydrophobicContact CB-CG1 4.41Å; I72-V86 HydrophobicContact CB-CG2 4.16Å; I72-V86 HydrophobicContact CD1-CG2 4.45Å; I72-V86 HydrophobicContact CG2-CG1 4Å; I72-V86 HydrophobicContact CG2-CG2 3.99Å; I83-V86 HydrophobicContact CB-CB 4.09Å; I83-V86 HydrophobicContact CB-CG2 4.15Å; I83-V86 HydrophobicContact CG2-CB 4.26Å; I83-V86 HydrophobicContact CG2-CG2 3.75Å; I83-V86 PolarHBondContact O-N 3.42Å; I83-V86 VanDerWaalsContact O-N 3.13Å; P84-V86 PolarHBondContact O-N 3.04Å; V86-T88 HydrophobicContact CG1-CG2 4.06Å
87K96Very high95.1Very high111 Ų11174.9 Ų74.948%0.48341%0.408SS..EExtended strand (participates in β ladder)trans-87.9134.9167.3-65.9-170.6177.7-169.60109.4I72 I73 G74 F89 E105I72-K87 PolarHBondContact O-N 2.99Å; I73-K87 CarbonylContact C-O 3.55Å; I73-K87 WeakPolarHBondContact CA-O 3.37Å; G74-K87 PolarHBondContact N-O 3.39Å; K87-F89 HydrophobicContact CB-CE2 3.81Å; K87-F89 HydrophobicContact CB-CZ 4.1Å; K87-F89 HydrophobicContact CD-CZ 4.26Å; K87-E105 WeakPolarHBondContact CD-OE2 3.47Å; K87-E105 WeakPolarHBondContact CE-OE2 3.44Å; K87-E105 VanDerWaalsContact NZ-CD 3.34Å; K87-E105 IonicContact NZ-OE1 2.66Å; K87-E105 PolarHBondContact NZ-OE1 2.88Å; K87-E105 IonicContact NZ-OE2 3.6Å; K87-E105 PolarHBondContact NZ-OE2 3.02Å
88T97Very high95.2Very high44 Ų4469.2 Ų69.227%0.2738%0.378SS..EExtended strand (participates in β ladder)trans-128.8130.3-17952.40000111.2L59 G74 I80 V86L59-T88 HydrophobicContact CD1-CG2 3.89Å; G74-T88 CarbonylContact O-C 3.59Å; G74-T88 VanDerWaalsContact O-CA 3.31Å; G74-T88 WeakPolarHBondContact O-CA 3.26Å; I80-T88 HydrophobicContact CB-CG2 4.15Å; I80-T88 HydrophobicContact CD1-CG2 4.35Å; I80-T88 HydrophobicContact CG2-CG2 4.2Å; V86-T88 HydrophobicContact CG1-CG2 4.06Å
89F96.5Very high95.2Very high50 Ų5067.6 Ų67.622%0.21936%0.364CS..EExtended strand (participates in β ladder)trans-120.4142.4-178.5-60-79.1000111.5I73 G74 D76 K87 I101 E105I73-F89 HydrophobicContact CG2-CD2 3.88Å; I73-F89 HydrophobicContact CG2-CE2 3.96Å; G74-F89 PolarHBondContact O-N 3.46Å; D76-F89 PolarHBondContact N-O 2.92Å; K87-F89 HydrophobicContact CB-CE2 3.81Å; K87-F89 HydrophobicContact CB-CZ 4.1Å; K87-F89 HydrophobicContact CD-CZ 4.26Å; F89-I101 HydrophobicContact CB-CG2 4.08Å; F89-I101 HydrophobicContact CD1-CG2 3.79Å; F89-I101 HydrophobicContact CD2-CG2 4.09Å; F89-I101 HydrophobicContact CE1-CG2 4.3Å; F89-I101 HydrophobicContact CG-CG2 3.68Å; F89-E105 HydrophobicContact CE1-CG 4.24Å; F89-E105 HydrophobicContact CE2-CG 3.72Å; F89-E105 HydrophobicContact CZ-CG 3.47Å; F89-E105 VanDerWaalsContact CZ-CG 3.47Å; F89-E105 WeakPolarHBondContact CZ-OE1 3.4Å
90V96.9Very high95.2Very high93 Ų9368.6 Ų68.656%0.56436%0.36SS*.EExtended strand (participates in β ladder)trans-94.3104.3173.8-177.30000108.2D76 L77 P79D76-V90 CarbonylContact O-C 3.57Å; D76-V90 VanDerWaalsContact O-CA 3.3Å; D76-V90 WeakPolarHBondContact O-CA 3.41Å; L77-V90 WeakPolarHBondContact O-CG1 2.9Å; P79-V90 HydrophobicContact CB-CG2 4.09Å
91A95.5Very high95.2Very high13 Ų1370 Ų7011%0.10737%0.368CS..  trans-157.1147.4179.100000111.6V75 D76 C98 I101V75-A91 HydrophobicContact CG1-CB 3.91Å; D76-A91 CarbonylContact C-O 3.52Å; D76-A91 PolarHBondContact O-N 3.01Å; A91-C98 HydrophobicContact CB-CB 4.28Å; A91-I101 HydrophobicContact CB-CD1 3.93Å
92D96Very high95.2Very high64 Ų6463.2 Ų63.234%0.34234%0.336SS..  trans-78.3122.1169.5-172.6-17.8000110.1L77 T94 T95 C98L77-D92 HydrophobicContact CD1-CB 4.24Å; D92-T94 PolarHBondContact O-N 3.37Å; D92-T94 WeakPolarHBondContact OD1-CB 3.39Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.46Å; D92-T94 PolarHBondContact OD1-N 3.39Å; D92-T94 PolarHBondContact OD1-OG1 3.46Å; D92-T94 PolarHBondContact OD2-OG1 2.91Å; D92-T95 PolarHBondContact O-N 3.29Å; D92-T95 VanDerWaalsContact O-N 3.15Å; D92-C98 WeakPolarHBondContact O-CB 3.46Å
93I95.3Very high95.2Very high9 Ų963.2 Ų63.25%0.04632%0.321CS..THydrogen-bonded Turntrans-65.5-18.8178.467161.1000113.1L51 V75 T95 L136 I143L51-I93 HydrophobicContact CB-CG2 4.44Å; L51-I93 HydrophobicContact CD2-CG2 4.06Å; V75-I93 HydrophobicContact CG1-CG2 4.22Å; I93-T95 VanDerWaalsContact C-N 3.29Å; I93-L136 HydrophobicContact CD1-CD1 3.83Å; I93-L136 HydrophobicContact CD1-CG 4.35Å; I93-L136 HydrophobicContact CG1-CD1 4.17Å; I93-I143 HydrophobicContact CB-CD1 3.79Å; I93-I143 HydrophobicContact CG2-CD1 4.44Å; I93-I143 WeakPolarHBondContact O-CD1 3.26Å
94T93.5Very high95.2Very high74 Ų7466.2 Ų66.245%0.45434%0.343SS..THydrogen-bonded Turntrans-78.1-15.8176.269.10000113.1D92 L136D92-T94 PolarHBondContact O-N 3.37Å; D92-T94 WeakPolarHBondContact OD1-CB 3.39Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.46Å; D92-T94 PolarHBondContact OD1-N 3.39Å; D92-T94 PolarHBondContact OD1-OG1 3.46Å; D92-T94 PolarHBondContact OD2-OG1 2.91Å; T94-L136 HydrophobicContact CG2-CD1 4.49Å
95T94.1Very high95.3Very high59 Ų5963.7 Ų63.736%0.36232%0.322SS..SBendtrans-101.6141.1-175.9-56.80000111.4D92 I93 K97 C98D92-T95 PolarHBondContact O-N 3.29Å; D92-T95 VanDerWaalsContact O-N 3.15Å; I93-T95 VanDerWaalsContact C-N 3.29Å; T95-K97 HydrophobicContact CG2-CB 4.02Å; T95-K97 HydrophobicContact CG2-CD 4.21Å; T95-K97 HydrophobicContact CG2-CG 3.91Å; T95-K97 PolarHBondContact O-N 2.82Å; T95-C98 WeakPolarHBondContact O-CB 3.37Å; T95-C98 PolarHBondContact O-N 3.11Å
96D93.6Very high95.3Very high94 Ų9458.8 Ų58.850%0.50330%0.301SS..Hα-helixtrans-60.2-18.4179.4-70.1-51.7000114.7C98 K99 Q100D96-C98 PolarHBondContact O-N 3.49Å; D96-K99 WeakPolarHBondContact O-CA 3.45Å; D96-K99 WeakPolarHBondContact O-CB 3.47Å; D96-K99 PolarHBondContact O-N 3.11Å; D96-K99 WeakPolarHBondContact OD1-CD 3.22Å; D96-K99 WeakPolarHBondContact OD1-CE 3.42Å; D96-K99 IonicContact OD1-NZ 2.78Å; D96-K99 PolarHBondContact OD1-NZ 2.94Å; D96-Q100 PolarHBondContact O-N 3.46Å
97K94.8Very high95.1Very high143 Ų14363.8 Ų63.862%0.62233%0.327SS*.Hα-helixtrans-52.6-39.8168.4-68.9-177.8-179.4-178.60112.1T95 K99 Q100 I101T95-K97 HydrophobicContact CG2-CB 4.02Å; T95-K97 HydrophobicContact CG2-CD 4.21Å; T95-K97 HydrophobicContact CG2-CG 3.91Å; T95-K97 PolarHBondContact O-N 2.82Å; K97-K99 VanDerWaalsContact C-N 3.34Å; K97-K99 PolarHBondContact O-N 3.22Å; K97-Q100 PolarHBondContact O-N 2.9Å; K97-I101 WeakPolarHBondContact O-CG1 3.5Å; K97-I101 PolarHBondContact O-N 2.84Å
98C95.3Very high94.8Very high0 Ų066.2 Ų66.20%035%0.345CS..Hα-helixtrans-61.5-42.3174.8177.20000111.5A91 D92 T95 D96 I101 L102A91-C98 HydrophobicContact CB-CB 4.28Å; D92-C98 WeakPolarHBondContact O-CB 3.46Å; T95-C98 WeakPolarHBondContact O-CB 3.37Å; T95-C98 PolarHBondContact O-N 3.11Å; D96-C98 PolarHBondContact O-N 3.49Å; C98-I101 PolarHBondContact O-N 3.23Å; C98-L102 WeakPolarHBondContact O-CB 3.36Å; C98-L102 VanDerWaalsContact O-CG 3.31Å; C98-L102 WeakPolarHBondContact O-CG 3.29Å; C98-L102 PolarHBondContact O-N 2.93Å
99K95.3Very high94.6Very high51 Ų5168.3 Ų68.322%0.22235%0.354CS..Hα-helixtrans-66.8-40.3177.7-56.7176-168.91580111.2D96 K97 L102 R103 F147D96-K99 WeakPolarHBondContact O-CA 3.45Å; D96-K99 WeakPolarHBondContact O-CB 3.47Å; D96-K99 PolarHBondContact O-N 3.11Å; D96-K99 WeakPolarHBondContact OD1-CD 3.22Å; D96-K99 WeakPolarHBondContact OD1-CE 3.42Å; D96-K99 IonicContact OD1-NZ 2.78Å; D96-K99 PolarHBondContact OD1-NZ 2.94Å; K97-K99 VanDerWaalsContact C-N 3.34Å; K97-K99 PolarHBondContact O-N 3.22Å; K99-L102 PolarHBondContact O-N 3.06Å; K99-R103 WeakPolarHBondContact O-CG 3.44Å; K99-R103 PolarHBondContact O-N 2.73Å; K99-F147 HydrophobicContact CB-CE2 4.34Å; K99-F147 HydrophobicContact CB-CZ 4.29Å; K99-F147 HydrophobicContact CG-CE2 4.46Å; K99-F147 WeakPolarHBondContact O-CZ 3.46Å
100Q95.6Very high94.6Very high116 Ų11670.9 Ų70.954%0.54237%0.365SS..Hα-helixtrans-59.4-48175.6-70.2172-17.600111.6D96 K97 L102 R103 S104D96-Q100 PolarHBondContact O-N 3.46Å; K97-Q100 PolarHBondContact O-N 2.9Å; Q100-L102 PolarHBondContact O-N 3.24Å; Q100-R103 PolarHBondContact O-N 3.13Å; Q100-S104 PolarHBondContact O-N 3.03Å; Q100-S104 PolarHBondContact O-OG 3.13Å
101I95.5Very high94.6Very high47 Ų4766.4 Ų66.424%0.24134%0.338CS..Hα-helixtrans-60.3-44.7176.5-66.6163000111.2F89 A91 K97 C98 R103 S104 E105F89-I101 HydrophobicContact CB-CG2 4.08Å; F89-I101 HydrophobicContact CD1-CG2 3.79Å; F89-I101 HydrophobicContact CD2-CG2 4.09Å; F89-I101 HydrophobicContact CE1-CG2 4.3Å; F89-I101 HydrophobicContact CG-CG2 3.68Å; A91-I101 HydrophobicContact CB-CD1 3.93Å; K97-I101 WeakPolarHBondContact O-CG1 3.5Å; K97-I101 PolarHBondContact O-N 2.84Å; C98-I101 PolarHBondContact O-N 3.23Å; I101-R103 PolarHBondContact O-N 2.81Å; I101-S104 WeakPolarHBondContact CA-OG 3.42Å; I101-S104 PolarHBondContact O-N 3.1Å; I101-S104 PolarHBondContact O-OG 3.41Å; I101-E105 WeakPolarHBondContact O-CB 3.37Å; I101-E105 WeakPolarHBondContact O-CG 3.44Å; I101-E105 PolarHBondContact O-N 2.75Å
102L96.2Very high94.7Very high0 Ų066.1 Ų66.10%034%0.335CS..Hα-helixtrans-64.3-36.8177.6-71.6173.5000112.6I49 I73 V75 C98 K99 Q100 E105 L106 I143 F147I49-L102 HydrophobicContact CD1-CD2 4.29Å; I49-L102 HydrophobicContact CG2-CD1 4.47Å; I49-L102 HydrophobicContact CG2-CD2 4Å; I73-L102 HydrophobicContact CG2-CD2 3.86Å; V75-L102 HydrophobicContact CG2-CD2 4.02Å; C98-L102 WeakPolarHBondContact O-CB 3.36Å; C98-L102 VanDerWaalsContact O-CG 3.31Å; C98-L102 WeakPolarHBondContact O-CG 3.29Å; C98-L102 PolarHBondContact O-N 2.93Å; K99-L102 PolarHBondContact O-N 3.06Å; Q100-L102 PolarHBondContact O-N 3.24Å; L102-E105 PolarHBondContact O-N 3.33Å; L102-L106 VanDerWaalsContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.45Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.29Å; L102-I143 HydrophobicContact CD1-CG2 3.77Å; L102-F147 HydrophobicContact CB-CD1 4.36Å; L102-F147 HydrophobicContact CB-CD2 4.44Å; L102-F147 HydrophobicContact CB-CE1 3.77Å; L102-F147 HydrophobicContact CB-CE2 3.88Å; L102-F147 HydrophobicContact CB-CZ 3.52Å; L102-F147 HydrophobicContact CD1-CD2 4.11Å; L102-F147 HydrophobicContact CD1-CE2 3.88Å; L102-F147 HydrophobicContact CD1-CZ 4.39Å
103R95.5Very high94.8Very high116 Ų11663 Ų6344%0.43832%0.319SS..Hα-helixtrans-64.9-46.3173.6-71.4174.5-161141.85.6111.8K99 Q100 I101 E105 N107 E146 F147K99-R103 WeakPolarHBondContact O-CG 3.44Å; K99-R103 PolarHBondContact O-N 2.73Å; Q100-R103 PolarHBondContact O-N 3.13Å; I101-R103 PolarHBondContact O-N 2.81Å; R103-E105 VanDerWaalsContact C-N 3.26Å; R103-E105 PolarHBondContact O-N 3.48Å; R103-N107 WeakPolarHBondContact O-CA 3.4Å; R103-N107 PolarHBondContact O-N 3.38Å; R103-E146 IonicContact CZ-OE1 2.59Å; R103-E146 IonicContact CZ-OE2 3.28Å; R103-E146 IonicContact NE-OE1 3.14Å; R103-E146 PolarHBondContact NE-OE1 3.17Å; R103-E146 IonicContact NH2-OE1 3.98Å; R103-E146 PolarHBondContact NH2-OE1 3.19Å; R103-E146 IonicContact NH2-OE2 2.69Å; R103-E146 PolarHBondContact NH2-OE2 2.88Å; R103-F147 HydrophobicContact CB-CE1 4.48Å; R103-F147 HydrophobicContact CG-CE1 3.65Å; R103-F147 HydrophobicContact CG-CZ 3.82Å
104S95.1Very high94.9Very high75 Ų7562.6 Ų62.652%0.52432%0.316SS..Hα-helixtrans-65.2-28.6178.7510000113.6Q100 I101Q100-S104 PolarHBondContact O-N 3.03Å; Q100-S104 PolarHBondContact O-OG 3.13Å; I101-S104 WeakPolarHBondContact CA-OG 3.42Å; I101-S104 PolarHBondContact O-N 3.1Å; I101-S104 PolarHBondContact O-OG 3.41Å
105E94.4Very high95.1Very high54 Ų5459.1 Ų59.125%0.25230%0.295SS..Hα-helixtrans-86.8-32-178.9-80.7-69.9154.800113.7I73 K87 F89 I101 L102 R103I73-E105 HydrophobicContact CD1-CB 4Å; K87-E105 WeakPolarHBondContact CD-OE2 3.47Å; K87-E105 WeakPolarHBondContact CE-OE2 3.44Å; K87-E105 VanDerWaalsContact NZ-CD 3.34Å; K87-E105 IonicContact NZ-OE1 2.66Å; K87-E105 PolarHBondContact NZ-OE1 2.88Å; K87-E105 IonicContact NZ-OE2 3.6Å; K87-E105 PolarHBondContact NZ-OE2 3.02Å; F89-E105 HydrophobicContact CE1-CG 4.24Å; F89-E105 HydrophobicContact CE2-CG 3.72Å; F89-E105 HydrophobicContact CZ-CG 3.47Å; F89-E105 VanDerWaalsContact CZ-CG 3.47Å; F89-E105 WeakPolarHBondContact CZ-OE1 3.4Å; I101-E105 WeakPolarHBondContact O-CB 3.37Å; I101-E105 WeakPolarHBondContact O-CG 3.44Å; I101-E105 PolarHBondContact O-N 2.75Å; L102-E105 PolarHBondContact O-N 3.33Å; R103-E105 VanDerWaalsContact C-N 3.26Å; R103-E105 PolarHBondContact O-N 3.48Å
106L93.2Very high95.3Very high4 Ų456.3 Ų56.32%0.02128%0.278CS..Hα-helixtrans-88.2-27.5178-70.1172.7000113.4V47 I49 I73 L102 D108 L109 F147V47-L106 HydrophobicContact CG1-CD2 3.52Å; I49-L106 HydrophobicContact CD1-CD1 3.97Å; I73-L106 HydrophobicContact CD1-CD2 3.75Å; I73-L106 HydrophobicContact CD1-CG 4Å; L102-L106 VanDerWaalsContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.45Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.29Å; L106-D108 PolarHBondContact O-N 3.17Å; L106-L109 WeakPolarHBondContact CB-O 3.4Å; L106-L109 VanDerWaalsContact O-CB 3.29Å; L106-L109 WeakPolarHBondContact O-CB 3.2Å; L106-L109 PolarHBondContact O-N 2.94Å; L106-F147 HydrophobicContact CD1-CB 4.3Å; L106-F147 HydrophobicContact CD1-CD1 3.57Å; L106-F147 HydrophobicContact CD1-CE1 4.27Å; L106-F147 HydrophobicContact CD1-CG 4.18Å
107N90.8Very high95.4Very high123 Ų12353.1 Ų53.166%0.65826%0.26SS*.THydrogen-bonded Turntrans51.1-120.6-167.8-55.3-70.7000109.8R103 L109R103-N107 WeakPolarHBondContact O-CA 3.4Å; R103-N107 PolarHBondContact O-N 3.38Å; N107-L109 VanDerWaalsContact C-N 3.34Å
108D90.8Very high95.3Very high162 Ų16246.4 Ų46.487%0.86623%0.232SC*.THydrogen-bonded Turntrans-81-9.2178.2-57.1-52000114.3L106L106-D108 PolarHBondContact O-N 3.17Å
109L93.7Very high95.1Very high87 Ų8748.7 Ų48.746%0.45525%0.251SS..PPolyproline II helixtrans-72.1138.5-177.4-61177.1000111.5L106 N107L106-L109 WeakPolarHBondContact CB-O 3.4Å; L106-L109 VanDerWaalsContact O-CB 3.29Å; L106-L109 WeakPolarHBondContact O-CB 3.2Å; L106-L109 PolarHBondContact O-N 2.94Å; N107-L109 VanDerWaalsContact C-N 3.34Å
110K95.6Very high95Very high104 Ų10447.7 Ų47.745%0.45225%0.25SC..PPolyproline II helixtrans-102.7144.9170.3-66.4-64.6-175.9-177.10110.4E146 F147 R149K110-E146 PolarHBondContact NZ-O 3.18Å; K110-F147 CarbonylContact C-O 3.46Å; K110-F147 WeakPolarHBondContact CA-O 3.36Å; K110-F147 WeakPolarHBondContact CB-O 3.14Å; K110-F147 WeakPolarHBondContact CD-O 3.43Å; K110-R149 HydrophobicContact CB-CB 3.79Å
111A97.1Very high94.8Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-70.113917800000111.4V47 I49 V114 F147 L148 R149V47-A111 HydrophobicContact CG1-CB 4.25Å; I49-A111 HydrophobicContact CD1-CB 3.81Å; I49-A111 HydrophobicContact CG1-CB 3.96Å; A111-V114 HydrophobicContact CB-CG2 3.98Å; A111-F147 PolarHBondContact N-O 3.33Å; A111-L148 WeakPolarHBondContact O-CA 3.01Å; A111-L148 WeakPolarHBondContact O-CD1 3.46Å; A111-R149 PolarHBondContact O-N 3.13Å
112D97.3Very high94.4Very high6 Ų651.7 Ų51.73%0.03228%0.278CS..EExtended strand (participates in β ladder)trans-86-34.1174-57.5-34.4000110.9K46 V47 R149 G152 W153K46-D112 WeakPolarHBondContact CA-OD2 3.14Å; K46-D112 PolarHBondContact N-OD2 3.05Å; V47-D112 PolarHBondContact N-OD2 2.7Å; V47-D112 WeakPolarHBondContact O-CB 3.5Å; V47-D112 PolarHBondContact O-N 3.32Å; D112-R149 VanDerWaalsContact CG-NH1 3.31Å; D112-R149 WeakPolarHBondContact OD1-CD 3.45Å; D112-R149 IonicContact OD1-CZ 2.99Å; D112-R149 IonicContact OD1-NE 3.87Å; D112-R149 PolarHBondContact OD1-NE 2.87Å; D112-R149 VanDerWaalsContact OD1-NE 3.15Å; D112-R149 IonicContact OD1-NH1 2.66Å; D112-R149 PolarHBondContact OD1-NH1 2.79Å; D112-R149 IonicContact OD1-NH2 3.46Å; D112-R149 IonicContact OD2-NH1 3.5Å; D112-G152 CarbonylContact O-C 3.55Å; D112-G152 VanDerWaalsContact O-CA 3.26Å; D112-G152 WeakPolarHBondContact O-CA 3.43Å; D112-W153 PolarHBondContact O-N 3.32Å
113V97.6Very high93.8Very high0 Ų054.8 Ų54.80%031%0.31CS..EExtended strand (participates in β ladder)trans-136.7130.3-178.8-178.80000109.2F41 S45 V47 L48 I49 L115 W153F41-V113 HydrophobicContact CD2-CG1 3.99Å; F41-V113 HydrophobicContact CD2-CG2 3.88Å; F41-V113 HydrophobicContact CE2-CG1 3.98Å; S45-V113 WeakPolarHBondContact OG-CG2 3.29Å; V47-V113 PolarHBondContact O-N 2.63Å; L48-V113 WeakPolarHBondContact CA-O 3.36Å; L48-V113 HydrophobicContact CD1-CB 4.09Å; L48-V113 HydrophobicContact CD1-CG1 3.99Å; L48-V113 HydrophobicContact CG-CB 4.25Å; L48-V113 HydrophobicContact CG-CG1 4.37Å; I49-V113 PolarHBondContact N-O 3.15Å; V113-L115 HydrophobicContact CG1-CD2 3.52Å; V113-L115 HydrophobicContact CG1-CG 3.89Å; V113-W153 WeakPolarHBondContact CA-O 3.46Å; V113-W153 HydrophobicContact CG2-CB 4.21Å
114V98Very high93.2Very high0 Ų052.5 Ų52.50%032%0.316CS..EExtended strand (participates in β ladder)trans-115.1124.7165178.70000108.9I49 L51 A111 A144 L148 W153 F154 V155I49-V114 HydrophobicContact CB-CG2 4.26Å; I49-V114 HydrophobicContact CD1-CG2 4.17Å; I49-V114 HydrophobicContact CG1-CG2 4.47Å; I49-V114 WeakPolarHBondContact O-CA 3.48Å; L51-V114 HydrophobicContact CD1-CG1 3.86Å; L51-V114 HydrophobicContact CG-CG1 4.33Å; A111-V114 HydrophobicContact CB-CG2 3.98Å; V114-A144 HydrophobicContact CB-CB 4.02Å; V114-A144 HydrophobicContact CG1-CB 3.88Å; V114-A144 HydrophobicContact CG2-CB 4.23Å; V114-L148 HydrophobicContact CB-CD1 4.46Å; V114-L148 HydrophobicContact CG2-CD1 3.9Å; V114-W153 PolarHBondContact N-O 2.9Å; V114-F154 HydrophobicContact CB-CD2 4.03Å; V114-F154 HydrophobicContact CG1-CD2 4.02Å; V114-F154 HydrophobicContact CG1-CE2 4.12Å; V114-F154 WeakPolarHBondContact O-CA 3.47Å; V114-V155 PolarHBondContact O-N 3.06Å
115L98Very high93Very high0 Ų051.7 Ų51.70%031%0.314CS..EExtended strand (participates in β ladder)trans-108.2148.1-179.8-62.4-170.6000110.7L32 F41 L48 I49 D50 L51 W58 V113 V155L32-L115 HydrophobicContact CD1-CD1 3.97Å; L32-L115 HydrophobicContact CD1-CD2 4.3Å; L32-L115 HydrophobicContact CD2-CD1 3.7Å; F41-L115 HydrophobicContact CE2-CD2 4.12Å; F41-L115 HydrophobicContact CZ-CD2 4.45Å; L48-L115 HydrophobicContact CD1-CD1 3.9Å; L48-L115 HydrophobicContact CD1-CG 4.19Å; L48-L115 HydrophobicContact CD2-CD1 4.15Å; L48-L115 HydrophobicContact CD2-CG 4.41Å; L48-L115 HydrophobicContact CG-CD1 4.43Å; L48-L115 HydrophobicContact CG-CG 4.43Å; I49-L115 PolarHBondContact O-N 3.23Å; D50-L115 HydrophobicContact CB-CB 4.46Å; D50-L115 WeakPolarHBondContact OD1-CB 3.37Å; L51-L115 WeakPolarHBondContact CB-O 3.2Å; L51-L115 PolarHBondContact N-O 2.66Å; W58-L115 HydrophobicContact CE3-CB 3.82Å; W58-L115 HydrophobicContact CE3-CD1 3.77Å; W58-L115 HydrophobicContact CE3-CG 4.3Å; W58-L115 HydrophobicContact CZ3-CB 3.84Å; W58-L115 HydrophobicContact CZ3-CD1 4.25Å; W58-L115 HydrophobicContact CZ3-CD2 4.33Å; W58-L115 HydrophobicContact CZ3-CG 4.37Å; V113-L115 HydrophobicContact CG1-CD2 3.52Å; V113-L115 HydrophobicContact CG1-CG 3.89Å; L115-V155 CarbonylContact C-O 3.58Å; L115-V155 WeakPolarHBondContact CA-O 3.33Å; L115-V155 HydrophobicContact CD2-CB 3.7Å; L115-V155 HydrophobicContact CD2-CG1 4.47Å; L115-V155 HydrophobicContact CD2-CG2 3.95Å
116H97.7Very high92.8Very high0 Ų054.2 Ų54.20%032%0.321CS..EExtended strand (participates in β ladder)trans-149112.2174174.3-111.9000111.7L51 G118 S137 S140 V155 T156 K157L51-H116 HydrophobicContact CB-CB 4.44Å; L51-H116 WeakPolarHBondContact O-CA 3.45Å; H116-G118 WeakPolarHBondContact NE2-CA 3.3Å; H116-G118 PolarHBondContact NE2-N 2.95Å; H116-S137 PolarHBondContact CE1-OG 3.31Å; H116-S140 PolarHBondContact CE1-OG 2.9Å; H116-S140 PolarHBondContact ND1-OG 2.9Å; H116-V155 PolarHBondContact N-O 2.95Å; H116-T156 PolarHBondContact ND1-OG1 3.3Å; H116-T156 WeakPolarHBondContact O-CA 3.26Å; H116-K157 PolarHBondContact O-N 3.06Å
117D95.8Very high92.7Very high27 Ų2757.8 Ų57.814%0.14435%0.346CS..  trans-112.132.5169.7-159.215.2000111.4K31 W58 K157K31-D117 IonicContact NZ-OD1 2.99Å; K31-D117 IonicContact NZ-OD2 3.88Å; W58-D117 HydrophobicContact CD2-CB 4.12Å; W58-D117 HydrophobicContact CE3-CB 4.13Å; W58-D117 HydrophobicContact CH2-CB 3.95Å; W58-D117 HydrophobicContact CZ2-CB 3.89Å; W58-D117 HydrophobicContact CZ3-CB 4.05Å; D117-K157 WeakPolarHBondContact O-CE 3.34Å; D117-K157 PolarHBondContact O-NZ 2.92Å; D117-K157 WeakPolarHBondContact OD1-CD 3.33Å; D117-K157 WeakPolarHBondContact OD1-CE 3.32Å; D117-K157 IonicContact OD1-NZ 2.63Å; D117-K157 PolarHBondContact OD1-NZ 3.33Å
118G92.1Very high92.8Very high3 Ų356.8 Ų56.83%0.03134%0.34CS..  trans-68.5142.1178.900000114.2C52 H116 Q133 K157C52-G118 VanDerWaalsContact CB-CA 3.42Å; H116-G118 WeakPolarHBondContact NE2-CA 3.3Å; H116-G118 PolarHBondContact NE2-N 2.95Å; G118-Q133 PolarHBondContact O-NE2 3.02Å; G118-K157 WeakPolarHBondContact O-CE 3.47Å; G118-K157 PolarHBondContact O-NZ 2.82Å
119A92Very high92.9Very high48 Ų4849.5 Ų49.540%0.39730%0.301SS..  trans-147.9142.517200000110.4F159A119-F159 HydrophobicContact CB-CZ 4.21Å
120P92.8Very high92.9Very high30 Ų3046.5 Ų46.520%0.19529%0.285CS..  trans-72.3172.8173.931.8-35.5000111.8V122 D129 T132 Q133P120-V122 VanDerWaalsContact C-N 3.33Å; P120-V122 PolarHBondContact O-N 2.86Å; P120-D129 WeakPolarHBondContact CG-O 3.33Å; P120-T132 HydrophobicContact CB-CG2 3.94Å; P120-T132 HydrophobicContact CG-CG2 4.35Å; P120-Q133 HydrophobicContact CG-CB 4.01Å
121N91.3Very high92.8Very high165 Ų16545.6 Ų45.688%0.88228%0.279SS*.  trans-6984.7173.9-74.6-31.3000111.4G123N121-G123 PolarHBondContact O-N 2.89Å
122V86.9Confident92.7Very high82 Ų8248.6 Ų48.650%0.49730%0.297SS..  trans-62.1124.7-177.9-175.80000111.5P120 W126 D129 F159P120-V122 VanDerWaalsContact C-N 3.33Å; P120-V122 PolarHBondContact O-N 2.86Å; V122-W126 HydrophobicContact CG1-CE3 4.42Å; V122-W126 HydrophobicContact CG1-CZ3 4.08Å; V122-D129 WeakPolarHBondContact CA-OD2 3.44Å; V122-D129 WeakPolarHBondContact CG1-OD2 3.23Å; V122-F159 HydrophobicContact CG2-CE2 4.01Å; V122-F159 HydrophobicContact CG2-CZ 4.24Å
123G83.2Confident92.6Very high65 Ų6548.3 Ų48.367%0.6730%0.296SS*.  trans159.6-9.6-178.500000115.6N121 D129N121-G123 PolarHBondContact O-N 2.89Å; G123-D129 PolarHBondContact N-OD2 3.44Å
124A84.8Confident92.5Very high67 Ų6748.3 Ų48.355%0.55430%0.296SS*.SBendtrans-81-154.5171.300000110.4W126 D129A124-W126 PolarHBondContact O-N 3.26Å; A124-D129 WeakPolarHBondContact CB-OD1 3.43Å; A124-D129 PolarHBondContact N-OD2 3.46Å
125A90.1Very high92.4Very high58 Ų5849.8 Ų49.848%0.47931%0.305SS..  trans-65.5130166.800000109.3S127 I128 D129A125-S127 PolarHBondContact O-N 3.2Å; A125-I128 HydrophobicContact CB-CD1 4.07Å; A125-I128 HydrophobicContact CB-CG1 4.2Å; A125-I128 WeakPolarHBondContact O-CB 3.37Å; A125-I128 PolarHBondContact O-N 3.43Å; A125-D129 PolarHBondContact O-N 3.32Å; A125-D129 VanDerWaalsContact O-N 3.12Å
126W89.5Confident92.3Very high108 Ų10851.4 Ų51.441%0.40931%0.313SS..Hα-helixtrans-53.7-33.4-177.1177.1-93.5000113.1V122 A124 I128 D129 E130 F159 A191V122-W126 HydrophobicContact CG1-CE3 4.42Å; V122-W126 HydrophobicContact CG1-CZ3 4.08Å; A124-W126 PolarHBondContact O-N 3.26Å; W126-I128 VanDerWaalsContact C-N 3.33Å; W126-I128 PolarHBondContact O-N 2.89Å; W126-D129 PolarHBondContact O-N 3.44Å; W126-E130 HydrophobicContact CZ2-CB 4.37Å; W126-E130 PolarHBondContact NE1-OE2 2.96Å; W126-E130 WeakPolarHBondContact O-CB 3.49Å; W126-E130 WeakPolarHBondContact O-CG 3.4Å; W126-E130 PolarHBondContact O-N 3.15Å; W126-F159 AromaticContact CH2-CD2 3.66Å; W126-F159 HydrophobicContact CH2-CD2 3.66Å; W126-F159 AromaticContact CH2-CE2 3.98Å; W126-F159 HydrophobicContact CH2-CE2 3.98Å; W126-F159 HydrophobicContact CH2-CG 4.19Å; W126-F159 HydrophobicContact CZ2-CB 4.38Å; W126-F159 HydrophobicContact CZ2-CD2 4.1Å; W126-F159 HydrophobicContact CZ2-CG 4.44Å; W126-F159 HydrophobicContact CZ3-CD2 4.43Å; W126-F159 HydrophobicContact CZ3-CE2 4.41Å; W126-A191 HydrophobicContact CH2-CB 3.64Å; W126-A191 HydrophobicContact CZ2-CB 3.4Å
127S91.1Very high92.3Very high78 Ų7851.4 Ų51.455%0.54531%0.313SS..Hα-helixtrans-68.6-26.5177-59.60000114.6A125 E130 Y131A125-S127 PolarHBondContact O-N 3.2Å; S127-E130 WeakPolarHBondContact CA-OE1 3.41Å; S127-E130 PolarHBondContact OG-OE1 2.88Å; S127-Y131 WeakPolarHBondContact O-CB 3.4Å; S127-Y131 PolarHBondContact O-N 3.44Å
128I92.6Very high92.3Very high103 Ų10350.1 Ų50.153%0.52831%0.306SS..Hα-helixtrans-78.7-44.7171.5-58.7173.4000109.2A125 W126 E130 Y131 T132A125-I128 HydrophobicContact CB-CD1 4.07Å; A125-I128 HydrophobicContact CB-CG1 4.2Å; A125-I128 WeakPolarHBondContact O-CB 3.37Å; A125-I128 PolarHBondContact O-N 3.43Å; W126-I128 VanDerWaalsContact C-N 3.33Å; W126-I128 PolarHBondContact O-N 2.89Å; I128-E130 VanDerWaalsContact C-N 3.32Å; I128-E130 PolarHBondContact O-N 3.1Å; I128-Y131 PolarHBondContact O-N 3.12Å; I128-T132 VanDerWaalsContact O-CB 3.26Å; I128-T132 WeakPolarHBondContact O-CB 3.47Å; I128-T132 PolarHBondContact O-N 3.32Å; I128-T132 PolarHBondContact O-OG1 2.79Å
129D93Very high92.5Very high9 Ų952.2 Ų52.25%0.04832%0.317CS..Hα-helixtrans-60.4-39.8179.2-68.2-10.5000111.8P120 V122 G123 A124 A125 W126 Q133P120-D129 WeakPolarHBondContact CG-O 3.33Å; V122-D129 WeakPolarHBondContact CA-OD2 3.44Å; V122-D129 WeakPolarHBondContact CG1-OD2 3.23Å; G123-D129 PolarHBondContact N-OD2 3.44Å; A124-D129 WeakPolarHBondContact CB-OD1 3.43Å; A124-D129 PolarHBondContact N-OD2 3.46Å; A125-D129 PolarHBondContact O-N 3.32Å; A125-D129 VanDerWaalsContact O-N 3.12Å; W126-D129 PolarHBondContact O-N 3.44Å; D129-Q133 WeakPolarHBondContact O-CB 3.22Å; D129-Q133 PolarHBondContact O-N 3.2Å; D129-Q133 VanDerWaalsContact O-N 3.16Å
130E93.5Very high92.7Very high24 Ų2449.9 Ų49.911%0.11230%0.298CS..Hα-helixtrans-74.6-42.3-179.978.5-168.1156.900112.9W126 S127 I128 Q133 A134 F159 S161W126-E130 HydrophobicContact CZ2-CB 4.37Å; W126-E130 PolarHBondContact NE1-OE2 2.96Å; W126-E130 WeakPolarHBondContact O-CB 3.49Å; W126-E130 WeakPolarHBondContact O-CG 3.4Å; W126-E130 PolarHBondContact O-N 3.15Å; S127-E130 WeakPolarHBondContact CA-OE1 3.41Å; S127-E130 PolarHBondContact OG-OE1 2.88Å; I128-E130 VanDerWaalsContact C-N 3.32Å; I128-E130 PolarHBondContact O-N 3.1Å; E130-Q133 PolarHBondContact O-N 2.92Å; E130-A134 PolarHBondContact O-N 3.05Å; E130-F159 HydrophobicContact CB-CB 4.48Å; E130-S161 VanDerWaalsContact CG-CB 3.47Å; E130-S161 WeakPolarHBondContact OE2-CB 3.48Å
131Y94.6Very high92.9Very high85 Ų8548.5 Ų48.533%0.33329%0.289SS..Hα-helixtrans-63.9-46.7174.7179.4-100.5000111.6S127 I128 Q133 A134 V135 F217S127-Y131 WeakPolarHBondContact O-CB 3.4Å; S127-Y131 PolarHBondContact O-N 3.44Å; I128-Y131 PolarHBondContact O-N 3.12Å; Y131-Q133 PolarHBondContact O-N 3.32Å; Y131-A134 WeakPolarHBondContact O-CB 3.4Å; Y131-A134 PolarHBondContact O-N 2.86Å; Y131-V135 HydrophobicContact CD1-CG2 4.11Å; Y131-V135 HydrophobicContact CE1-CG2 3.66Å; Y131-V135 HydrophobicContact CE2-CG2 4.23Å; Y131-V135 WeakPolarHBondContact O-CG2 3.37Å; Y131-V135 PolarHBondContact O-N 3.24Å; Y131-F217 HydrophobicContact CE2-CB 3.9Å; Y131-F217 AromaticContact CE2-CD2 3.98Å; Y131-F217 HydrophobicContact CE2-CD2 3.98Å; Y131-F217 HydrophobicContact CE2-CG 4.17Å
132T95Very high93.1Very high62 Ų6241.6 Ų41.638%0.3825%0.254SS..Hα-helixtrans-58.9-37.4177.2-54.40000111.3P120 I128 L136P120-T132 HydrophobicContact CB-CG2 3.94Å; P120-T132 HydrophobicContact CG-CG2 4.35Å; I128-T132 VanDerWaalsContact O-CB 3.26Å; I128-T132 WeakPolarHBondContact O-CB 3.47Å; I128-T132 PolarHBondContact O-N 3.32Å; I128-T132 PolarHBondContact O-OG1 2.79Å; T132-L136 WeakPolarHBondContact O-CB 3.34Å; T132-L136 PolarHBondContact O-N 3.46Å
133Q95.2Very high93.6Very high0 Ų037.7 Ų37.70%023%0.231CC..Hα-helixtrans-68.4-39.6175.2-160.5-76-40.300112.2G118 P120 D129 E130 Y131 L136 S137 K157 V158 F159G118-Q133 PolarHBondContact O-NE2 3.02Å; P120-Q133 HydrophobicContact CG-CB 4.01Å; D129-Q133 WeakPolarHBondContact O-CB 3.22Å; D129-Q133 PolarHBondContact O-N 3.2Å; D129-Q133 VanDerWaalsContact O-N 3.16Å; E130-Q133 PolarHBondContact O-N 2.92Å; Y131-Q133 PolarHBondContact O-N 3.32Å; Q133-L136 PolarHBondContact O-N 3.18Å; Q133-S137 PolarHBondContact NE2-OG 2.89Å; Q133-S137 VanDerWaalsContact NE2-OG 3.12Å; Q133-S137 PolarHBondContact O-N 3.26Å; Q133-S137 PolarHBondContact O-OG 3.37Å; Q133-K157 PolarHBondContact NE2-O 3.29Å; Q133-V158 VanDerWaalsContact OE1-CA 3.24Å; Q133-F159 HydrophobicContact CB-CD2 3.92Å; Q133-F159 HydrophobicContact CB-CE2 4.22Å; Q133-F159 HydrophobicContact CB-CG 4.34Å; Q133-F159 HydrophobicContact CG-CD1 4.24Å; Q133-F159 HydrophobicContact CG-CD2 3.91Å; Q133-F159 HydrophobicContact CG-CE1 4.33Å; Q133-F159 HydrophobicContact CG-CE2 4Å; Q133-F159 HydrophobicContact CG-CG 4.03Å; Q133-F159 HydrophobicContact CG-CZ 4.21Å
134A95.6Very high94.2Very high1 Ų134.6 Ų34.61%0.00820%0.199CC..Hα-helixtrans-64.2-42.5175.800000112.2E130 Y131 S137 L138 D163 F217E130-A134 PolarHBondContact O-N 3.05Å; Y131-A134 WeakPolarHBondContact O-CB 3.4Å; Y131-A134 PolarHBondContact O-N 2.86Å; A134-S137 PolarHBondContact O-N 2.91Å; A134-L138 PolarHBondContact O-N 3.24Å; A134-D163 HydrophobicContact CB-CB 3.74Å; A134-F217 HydrophobicContact CB-CE1 4.12Å; A134-F217 HydrophobicContact CB-CE2 4.35Å; A134-F217 HydrophobicContact CB-CZ 3.81Å
135V95.9Very high94.7Very high30 Ų3032.1 Ų32.118%0.18218%0.177CC..Hα-helixtrans-61.3-43.7173.6175.30000111.4Y131 S137 L138 N139 A213 F217Y131-V135 HydrophobicContact CD1-CG2 4.11Å; Y131-V135 HydrophobicContact CE1-CG2 3.66Å; Y131-V135 HydrophobicContact CE2-CG2 4.23Å; Y131-V135 WeakPolarHBondContact O-CG2 3.37Å; Y131-V135 PolarHBondContact O-N 3.24Å; V135-S137 VanDerWaalsContact C-N 3.3Å; V135-S137 PolarHBondContact O-N 3.46Å; V135-L138 PolarHBondContact O-N 2.92Å; V135-L138 VanDerWaalsContact O-N 3.11Å; V135-N139 PolarHBondContact O-N 3.12Å; V135-A213 HydrophobicContact CG1-CB 4.35Å; V135-A213 HydrophobicContact CG2-CB 4.09Å; V135-F217 HydrophobicContact CG2-CD2 4.19Å; V135-F217 HydrophobicContact CG2-CE2 3.97Å
136L95.8Very high94.9Very high34 Ų3432.2 Ų32.218%0.17817%0.168CC..Hα-helixtrans-61.6-38175.1-168.170.4000112.1I93 T94 T132 Q133 N139 S140I93-L136 HydrophobicContact CD1-CD1 3.83Å; I93-L136 HydrophobicContact CD1-CG 4.35Å; I93-L136 HydrophobicContact CG1-CD1 4.17Å; T94-L136 HydrophobicContact CG2-CD1 4.49Å; T132-L136 WeakPolarHBondContact O-CB 3.34Å; T132-L136 PolarHBondContact O-N 3.46Å; Q133-L136 PolarHBondContact O-N 3.18Å; L136-N139 PolarHBondContact O-N 3.38Å; L136-S140 PolarHBondContact O-N 3.32Å; L136-S140 PolarHBondContact O-OG 3.16Å
137S96.8Very high95.2Very high0 Ų027.4 Ų27.40%015%0.149CC..Hα-helixtrans-71-26.3174.6-69.60000113.7H116 Q133 A134 V135 S140 F141 T156 K157H116-S137 PolarHBondContact CE1-OG 3.31Å; Q133-S137 PolarHBondContact NE2-OG 2.89Å; Q133-S137 VanDerWaalsContact NE2-OG 3.12Å; Q133-S137 PolarHBondContact O-N 3.26Å; Q133-S137 PolarHBondContact O-OG 3.37Å; A134-S137 PolarHBondContact O-N 2.91Å; V135-S137 VanDerWaalsContact C-N 3.3Å; V135-S137 PolarHBondContact O-N 3.46Å; S137-S140 WeakPolarHBondContact CA-OG 3.34Å; S137-S140 PolarHBondContact O-OG 2.94Å; S137-S140 VanDerWaalsContact O-OG 3.13Å; S137-F141 WeakPolarHBondContact O-CB 3.18Å; S137-F141 PolarHBondContact O-N 3.34Å; S137-T156 PolarHBondContact OG-OG1 2.92Å; S137-K157 PolarHBondContact OG-O 2.88Å
138L96.6Very high95.4Very high0 Ų024 Ų240%013%0.125CC..Hα-helixtrans-75.4-42.4170.7-172.865.1000111.5A134 V135 S140 F141 A142 L167 A213 V216 F217A134-L138 PolarHBondContact O-N 3.24Å; V135-L138 PolarHBondContact O-N 2.92Å; V135-L138 VanDerWaalsContact O-N 3.11Å; L138-S140 PolarHBondContact O-N 3Å; L138-F141 HydrophobicContact CD1-CD1 4.4Å; L138-F141 CarbonylContact O-C 3.59Å; L138-F141 WeakPolarHBondContact O-CA 3.19Å; L138-F141 WeakPolarHBondContact O-CB 3.46Å; L138-F141 PolarHBondContact O-N 3.39Å; L138-F141 VanDerWaalsContact O-N 3.11Å; L138-A142 PolarHBondContact O-N 2.9Å; L138-L167 HydrophobicContact CB-CD1 4.34Å; L138-L167 HydrophobicContact CD1-CD1 4.06Å; L138-A213 HydrophobicContact CD2-CB 3.99Å; L138-V216 HydrophobicContact CD1-CG1 4.42Å; L138-V216 HydrophobicContact CD1-CG2 4.37Å; L138-V216 HydrophobicContact CD2-CB 4.05Å; L138-V216 HydrophobicContact CD2-CG1 4.28Å; L138-V216 HydrophobicContact CD2-CG2 4.08Å; L138-F217 HydrophobicContact CB-CE2 4.3Å; L138-F217 HydrophobicContact CB-CZ 4.27Å; L138-F217 HydrophobicContact CD2-CE2 3.92Å; L138-F217 HydrophobicContact CD2-CZ 4.31Å
139N95.9Very high95.6Very high47 Ų4723.9 Ų23.925%0.25112%0.118SC..Hα-helixtrans-62.8-43.2177-71-14.7000112.2V135 L136 F141 A142 I143V135-N139 PolarHBondContact O-N 3.12Å; L136-N139 PolarHBondContact O-N 3.38Å; N139-F141 VanDerWaalsContact C-N 3.3Å; N139-F141 PolarHBondContact O-N 2.71Å; N139-A142 WeakPolarHBondContact O-CB 3.33Å; N139-A142 PolarHBondContact O-N 2.71Å; N139-I143 PolarHBondContact O-N 2.93Å; N139-I143 VanDerWaalsContact O-N 3.13Å
140S97Very high95.8Very high0 Ų033.1 Ų33.10%015%0.152CC..Hα-helixtrans-65.7-31.5172.751.70000112.8H116 L136 S137 L138 A144H116-S140 PolarHBondContact CE1-OG 2.9Å; H116-S140 PolarHBondContact ND1-OG 2.9Å; L136-S140 PolarHBondContact O-N 3.32Å; L136-S140 PolarHBondContact O-OG 3.16Å; S137-S140 WeakPolarHBondContact CA-OG 3.34Å; S137-S140 PolarHBondContact O-OG 2.94Å; S137-S140 VanDerWaalsContact O-OG 3.13Å; L138-S140 PolarHBondContact O-N 3Å; S140-A144 PolarHBondContact O-N 3.04Å
141F96.9Very high95.9Very high0 Ų033.3 Ų33.30%016%0.161CC..Hα-helixtrans-68.5-40.1170.5177.3-120.8000112.3S137 L138 N139 I143 A144 T145 F154 V170 L171 F174 F175 L211S137-F141 WeakPolarHBondContact O-CB 3.18Å; S137-F141 PolarHBondContact O-N 3.34Å; L138-F141 HydrophobicContact CD1-CD1 4.4Å; L138-F141 CarbonylContact O-C 3.59Å; L138-F141 WeakPolarHBondContact O-CA 3.19Å; L138-F141 WeakPolarHBondContact O-CB 3.46Å; L138-F141 PolarHBondContact O-N 3.39Å; L138-F141 VanDerWaalsContact O-N 3.11Å; N139-F141 VanDerWaalsContact C-N 3.3Å; N139-F141 PolarHBondContact O-N 2.71Å; F141-I143 VanDerWaalsContact C-N 3.34Å; F141-I143 PolarHBondContact O-N 2.97Å; F141-A144 HydrophobicContact CD2-CB 4.39Å; F141-A144 CarbonylContact O-C 3.54Å; F141-A144 WeakPolarHBondContact O-CA 3.44Å; F141-A144 WeakPolarHBondContact O-CB 3.34Å; F141-A144 PolarHBondContact O-N 2.93Å; F141-T145 HydrophobicContact CD1-CG2 4.4Å; F141-T145 HydrophobicContact CD2-CG2 4.16Å; F141-T145 HydrophobicContact CE1-CG2 3.81Å; F141-T145 HydrophobicContact CE2-CG2 3.5Å; F141-T145 VanDerWaalsContact CE2-CG2 3.5Å; F141-T145 HydrophobicContact CZ-CG2 3.3Å; F141-T145 PolarHBondContact O-N 3.29Å; F141-F154 HydrophobicContact CB-CE1 3.76Å; F141-F154 HydrophobicContact CB-CZ 3.72Å; F141-F154 AromaticContact CD2-CD1 3.9Å; F141-F154 HydrophobicContact CD2-CD1 3.9Å; F141-F154 AromaticContact CD2-CE1 3.76Å; F141-F154 HydrophobicContact CD2-CE1 3.76Å; F141-F154 HydrophobicContact CD2-CG 4.48Å; F141-F154 HydrophobicContact CD2-CZ 4.23Å; F141-F154 HydrophobicContact CG-CE1 4.11Å; F141-F154 HydrophobicContact CG-CZ 4.46Å; F141-V170 HydrophobicContact CD1-CG1 4.32Å; F141-V170 HydrophobicContact CE1-CG1 3.9Å; F141-L171 HydrophobicContact CB-CD2 4.36Å; F141-L171 HydrophobicContact CD1-CD2 3.93Å; F141-L171 HydrophobicContact CD2-CD2 3.39Å; F141-L171 HydrophobicContact CE1-CD2 4.09Å; F141-L171 HydrophobicContact CE2-CD2 3.61Å; F141-L171 HydrophobicContact CG-CD2 3.59Å; F141-L171 HydrophobicContact CZ-CD2 3.95Å; F141-F174 AromaticContact CE1-CD2 3.82Å; F141-F174 HydrophobicContact CE1-CD2 3.82Å; F141-F174 HydrophobicContact CE1-CE2 4.05Å; F141-F174 HydrophobicContact CE1-CG 4.29Å; F141-F174 HydrophobicContact CE2-CB 4.42Å; F141-F174 HydrophobicContact CZ-CB 3.77Å; F141-F174 HydrophobicContact CZ-CD1 4.21Å; F141-F174 AromaticContact CZ-CD2 3.57Å; F141-F174 HydrophobicContact CZ-CD2 3.57Å; F141-F174 HydrophobicContact CZ-CE2 4.19Å; F141-F174 AromaticContact CZ-CG 3.6Å; F141-F174 HydrophobicContact CZ-CG 3.6Å; F141-F175 HydrophobicContact CD2-CE2 4.29Å; F141-F175 AromaticContact CE2-CE2 3.61Å; F141-F175 HydrophobicContact CE2-CE2 3.61Å; F141-F175 HydrophobicContact CE2-CZ 4.26Å; F141-F175 HydrophobicContact CZ-CE2 4.4Å; F141-L211 HydrophobicContact CD1-CD2 4.12Å; F141-L211 HydrophobicContact CE1-CD2 4.12Å
142A95.7Very high96Very high20 Ų2029.3 Ų29.317%0.16515%0.145CC..Hα-helixtrans-57.8-45.3174.900000111.6L138 N139 A144 T145 L211L138-A142 PolarHBondContact O-N 2.9Å; N139-A142 WeakPolarHBondContact O-CB 3.33Å; N139-A142 PolarHBondContact O-N 2.71Å; A142-A144 PolarHBondContact O-N 2.97Å; A142-T145 PolarHBondContact O-N 3.02Å; A142-T145 PolarHBondContact O-OG1 3.25Å; A142-L211 HydrophobicContact CB-CB 4.5Å; A142-L211 HydrophobicContact CB-CD1 4.2Å; A142-L211 HydrophobicContact CB-CD2 4.07Å; A142-L211 HydrophobicContact CB-CG 4.49Å
143I96Very high96.1Very high1 Ų128.2 Ų28.21%0.00513%0.134CC..Hα-helixtrans-57.7-48.5170.4-62.9170.7000110.6L51 I93 L102 N139 F141 T145 E146 F147L51-I143 HydrophobicContact CD1-CB 4.17Å; L51-I143 HydrophobicContact CD1-CD1 4.13Å; L51-I143 HydrophobicContact CD1-CG2 4.1Å; L51-I143 HydrophobicContact CD2-CD1 4.32Å; L51-I143 HydrophobicContact CD2-CG2 4.46Å; I93-I143 HydrophobicContact CB-CD1 3.79Å; I93-I143 HydrophobicContact CG2-CD1 4.44Å; I93-I143 WeakPolarHBondContact O-CD1 3.26Å; L102-I143 HydrophobicContact CD1-CG2 3.77Å; N139-I143 PolarHBondContact O-N 2.93Å; N139-I143 VanDerWaalsContact O-N 3.13Å; F141-I143 VanDerWaalsContact C-N 3.34Å; F141-I143 PolarHBondContact O-N 2.97Å; I143-T145 VanDerWaalsContact C-N 3.28Å; I143-T145 PolarHBondContact O-N 3.44Å; I143-E146 PolarHBondContact O-N 2.98Å; I143-E146 VanDerWaalsContact O-N 3.13Å; I143-F147 HydrophobicContact CG2-CD2 3.68Å; I143-F147 HydrophobicContact CG2-CE2 3.94Å; I143-F147 VanDerWaalsContact O-CD2 3.32Å; I143-F147 WeakPolarHBondContact O-CD2 3.46Å; I143-F147 PolarHBondContact O-N 2.98Å
144A96.7Very high96.2Very high0 Ų028.2 Ų28.20%013%0.134CC..Hα-helixtrans-57.3-40.2-179.300000112.3V114 S140 F141 A142 E146 F147 L148 F154V114-A144 HydrophobicContact CB-CB 4.02Å; V114-A144 HydrophobicContact CG1-CB 3.88Å; V114-A144 HydrophobicContact CG2-CB 4.23Å; S140-A144 PolarHBondContact O-N 3.04Å; F141-A144 HydrophobicContact CD2-CB 4.39Å; F141-A144 CarbonylContact O-C 3.54Å; F141-A144 WeakPolarHBondContact O-CA 3.44Å; F141-A144 WeakPolarHBondContact O-CB 3.34Å; F141-A144 PolarHBondContact O-N 2.93Å; A142-A144 PolarHBondContact O-N 2.97Å; A144-E146 PolarHBondContact O-N 2.96Å; A144-F147 PolarHBondContact O-N 3.04Å; A144-L148 WeakPolarHBondContact O-CB 3.44Å; A144-L148 PolarHBondContact O-N 2.66Å; A144-F154 HydrophobicContact CB-CD2 3.64Å; A144-F154 HydrophobicContact CB-CE2 3.76Å; A144-F154 HydrophobicContact CB-CG 4.34Å
145T95Very high96.3Very high14 Ų1428.2 Ų28.29%0.08613%0.134CC..Hα-helixtrans-60.6-27.3179.859.90000114.2F141 A142 I143 F174 Y200 I206F141-T145 HydrophobicContact CD1-CG2 4.4Å; F141-T145 HydrophobicContact CD2-CG2 4.16Å; F141-T145 HydrophobicContact CE1-CG2 3.81Å; F141-T145 HydrophobicContact CE2-CG2 3.5Å; F141-T145 VanDerWaalsContact CE2-CG2 3.5Å; F141-T145 HydrophobicContact CZ-CG2 3.3Å; F141-T145 PolarHBondContact O-N 3.29Å; A142-T145 PolarHBondContact O-N 3.02Å; A142-T145 PolarHBondContact O-OG1 3.25Å; I143-T145 VanDerWaalsContact C-N 3.28Å; I143-T145 PolarHBondContact O-N 3.44Å; T145-F174 HydrophobicContact CG2-CD1 4.35Å; T145-F174 HydrophobicContact CG2-CE1 4.46Å; T145-Y200 VanDerWaalsContact CA-OH 3.29Å; T145-Y200 WeakPolarHBondContact CA-OH 3.38Å; T145-Y200 WeakPolarHBondContact CB-OH 3.39Å; T145-Y200 HydrophobicContact CG2-CE2 4.38Å; T145-Y200 PolarHBondContact O-OH 3.09Å; T145-I206 HydrophobicContact CG2-CD1 4.22Å
146E93.7Very high96.4Very high61 Ų6126.8 Ų26.829%0.28513%0.125SC..Hα-helixtrans-83.5-41.7-179.3-162-167.5131.800112.7R103 K110 I143 A144R103-E146 IonicContact CZ-OE1 2.59Å; R103-E146 IonicContact CZ-OE2 3.28Å; R103-E146 IonicContact NE-OE1 3.14Å; R103-E146 PolarHBondContact NE-OE1 3.17Å; R103-E146 IonicContact NH2-OE1 3.98Å; R103-E146 PolarHBondContact NH2-OE1 3.19Å; R103-E146 IonicContact NH2-OE2 2.69Å; R103-E146 PolarHBondContact NH2-OE2 2.88Å; K110-E146 PolarHBondContact NZ-O 3.18Å; I143-E146 PolarHBondContact O-N 2.98Å; I143-E146 VanDerWaalsContact O-N 3.13Å; A144-E146 PolarHBondContact O-N 2.96Å
147F95.8Very high96.5Very high6 Ų625.8 Ų25.83%0.02612%0.119CC..Hα-helixtrans-96.2-20.4-172.7-64.7-74000114.6I49 K99 L102 R103 L106 K110 A111 I143 A144I49-F147 HydrophobicContact CD1-CB 3.83Å; I49-F147 HydrophobicContact CD1-CG 4.25Å; K99-F147 HydrophobicContact CB-CE2 4.34Å; K99-F147 HydrophobicContact CB-CZ 4.29Å; K99-F147 HydrophobicContact CG-CE2 4.46Å; K99-F147 WeakPolarHBondContact O-CZ 3.46Å; L102-F147 HydrophobicContact CB-CD1 4.36Å; L102-F147 HydrophobicContact CB-CD2 4.44Å; L102-F147 HydrophobicContact CB-CE1 3.77Å; L102-F147 HydrophobicContact CB-CE2 3.88Å; L102-F147 HydrophobicContact CB-CZ 3.52Å; L102-F147 HydrophobicContact CD1-CD2 4.11Å; L102-F147 HydrophobicContact CD1-CE2 3.88Å; L102-F147 HydrophobicContact CD1-CZ 4.39Å; R103-F147 HydrophobicContact CB-CE1 4.48Å; R103-F147 HydrophobicContact CG-CE1 3.65Å; R103-F147 HydrophobicContact CG-CZ 3.82Å; L106-F147 HydrophobicContact CD1-CB 4.3Å; L106-F147 HydrophobicContact CD1-CD1 3.57Å; L106-F147 HydrophobicContact CD1-CE1 4.27Å; L106-F147 HydrophobicContact CD1-CG 4.18Å; K110-F147 CarbonylContact C-O 3.46Å; K110-F147 WeakPolarHBondContact CA-O 3.36Å; K110-F147 WeakPolarHBondContact CB-O 3.14Å; K110-F147 WeakPolarHBondContact CD-O 3.43Å; A111-F147 PolarHBondContact N-O 3.33Å; I143-F147 HydrophobicContact CG2-CD2 3.68Å; I143-F147 HydrophobicContact CG2-CE2 3.94Å; I143-F147 VanDerWaalsContact O-CD2 3.32Å; I143-F147 WeakPolarHBondContact O-CD2 3.46Å; I143-F147 PolarHBondContact O-N 2.98Å; A144-F147 PolarHBondContact O-N 3.04Å
148L96.7Very high96.4Very high7 Ų725.8 Ų25.84%0.03712%0.119CC..EExtended strand (participates in β ladder)trans-78.1135.4-173.7-166.373.8000112.4A111 V114 A144 W153 F175 Y200A111-L148 WeakPolarHBondContact O-CA 3.01Å; A111-L148 WeakPolarHBondContact O-CD1 3.46Å; V114-L148 HydrophobicContact CB-CD1 4.46Å; V114-L148 HydrophobicContact CG2-CD1 3.9Å; A144-L148 WeakPolarHBondContact O-CB 3.44Å; A144-L148 PolarHBondContact O-N 2.66Å; L148-W153 WeakPolarHBondContact CD1-O 3.46Å; L148-F175 HydrophobicContact CD2-CE1 3.79Å; L148-F175 HydrophobicContact CD2-CZ 3.82Å; L148-Y200 HydrophobicContact CB-CD1 4.09Å; L148-Y200 HydrophobicContact CB-CE1 4.31Å; L148-Y200 HydrophobicContact CD2-CD1 3.97Å; L148-Y200 HydrophobicContact CD2-CD2 4.26Å; L148-Y200 HydrophobicContact CD2-CG 3.72Å; L148-Y200 HydrophobicContact CG-CD1 4.14Å; L148-Y200 HydrophobicContact CG-CG 4.36Å
149R96Very high96.4Very high101 Ų10126.3 Ų26.338%0.38112%0.122SC..EExtended strand (participates in β ladder)trans-71.2157.5174.974.5170.2-172.9-158.63.8112.1K110 A111 D112 G151 G152 Y200K110-R149 HydrophobicContact CB-CB 3.79Å; A111-R149 PolarHBondContact O-N 3.13Å; D112-R149 VanDerWaalsContact CG-NH1 3.31Å; D112-R149 WeakPolarHBondContact OD1-CD 3.45Å; D112-R149 IonicContact OD1-CZ 2.99Å; D112-R149 IonicContact OD1-NE 3.87Å; D112-R149 PolarHBondContact OD1-NE 2.87Å; D112-R149 VanDerWaalsContact OD1-NE 3.15Å; D112-R149 IonicContact OD1-NH1 2.66Å; D112-R149 PolarHBondContact OD1-NH1 2.79Å; D112-R149 IonicContact OD1-NH2 3.46Å; D112-R149 IonicContact OD2-NH1 3.5Å; R149-G151 PolarHBondContact O-N 3.11Å; R149-G152 WeakPolarHBondContact O-CA 3.37Å; R149-G152 PolarHBondContact O-N 3.15Å; R149-Y200 WeakPolarHBondContact O-CD1 3.28Å
150R96.7Very high96.3Very high202 Ų20230.9 Ų30.976%0.76214%0.135SC*.EExtended strand (participates in β ladder)trans-56.7130.5165.5-169.5173.470.5178.40.7110G152 A202R150-G152 VanDerWaalsContact C-N 3.31Å; R150-A202 HydrophobicContact CB-CB 3.85Å; R150-A202 HydrophobicContact CG-CB 4.18Å
151G95.7Very high96Very high29 Ų2932 Ų3230%0.29914%0.143SC..EExtended strand (participates in β ladder)trans81.41.9-172.400000115R149 Y200R149-G151 PolarHBondContact O-N 3.11Å; G151-Y200 PolarHBondContact N-O 3.29Å
152G96.8Very high95.8Very high0 Ų039.5 Ų39.50%017%0.172CC..EExtended strand (participates in β ladder)trans-70.6172.6177.400000114.3D112 R149 R150 N199 Y200D112-G152 CarbonylContact O-C 3.55Å; D112-G152 VanDerWaalsContact O-CA 3.26Å; D112-G152 WeakPolarHBondContact O-CA 3.43Å; R149-G152 WeakPolarHBondContact O-CA 3.37Å; R149-G152 PolarHBondContact O-N 3.15Å; R150-G152 VanDerWaalsContact C-N 3.31Å; G152-N199 PolarHBondContact O-N 3.02Å; G152-Y200 PolarHBondContact O-N 2.89Å
153W97.9Very high95.7Very high39 Ų3938.8 Ų38.815%0.14817%0.165CC..EExtended strand (participates in β ladder)trans-115.5141.6-176.6-62.772.9000111.8F39 F41 D112 V113 V114 L148 V196 G197 Q198F39-W153 HydrophobicContact CB-CH2 4.31Å; F39-W153 HydrophobicContact CB-CZ3 4.05Å; F39-W153 HydrophobicContact CD1-CZ3 4.33Å; F39-W153 HydrophobicContact CG-CZ3 4.17Å; F41-W153 HydrophobicContact CB-CD2 3.71Å; F41-W153 HydrophobicContact CB-CE3 4Å; F41-W153 HydrophobicContact CB-CG 4.04Å; F41-W153 HydrophobicContact CB-CZ2 4.29Å; F41-W153 HydrophobicContact CB-CZ3 4.38Å; F41-W153 HydrophobicContact CD1-CE3 4.1Å; F41-W153 HydrophobicContact CD1-CZ3 4.33Å; F41-W153 HydrophobicContact CG-CD2 4.33Å; F41-W153 HydrophobicContact CG-CE3 4.27Å; D112-W153 PolarHBondContact O-N 3.32Å; V113-W153 WeakPolarHBondContact CA-O 3.46Å; V113-W153 HydrophobicContact CG2-CB 4.21Å; V114-W153 PolarHBondContact N-O 2.9Å; L148-W153 WeakPolarHBondContact CD1-O 3.46Å; W153-V196 HydrophobicContact CE3-CG1 4.09Å; W153-V196 HydrophobicContact CZ3-CG1 4.18Å; W153-G197 WeakPolarHBondContact CA-O 3.33Å; W153-Q198 HydrophobicContact CE3-CB 4.32Å; W153-Q198 HydrophobicContact CE3-CG 3.92Å; W153-Q198 HydrophobicContact CH2-CB 4.32Å; W153-Q198 HydrophobicContact CH2-CG 4.04Å; W153-Q198 HydrophobicContact CZ3-CB 4.1Å; W153-Q198 HydrophobicContact CZ3-CG 3.5Å; W153-Q198 VanDerWaalsContact CZ3-CG 3.5Å
154F98.1Very high95.7Very high1 Ų140.5 Ų40.50%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-125.9129.5170.5179.3-120.8000110.1V114 F141 A144 T156 L171 F175 V196 G197V114-F154 HydrophobicContact CB-CD2 4.03Å; V114-F154 HydrophobicContact CG1-CD2 4.02Å; V114-F154 HydrophobicContact CG1-CE2 4.12Å; V114-F154 WeakPolarHBondContact O-CA 3.47Å; F141-F154 HydrophobicContact CB-CE1 3.76Å; F141-F154 HydrophobicContact CB-CZ 3.72Å; F141-F154 AromaticContact CD2-CD1 3.9Å; F141-F154 HydrophobicContact CD2-CD1 3.9Å; F141-F154 AromaticContact CD2-CE1 3.76Å; F141-F154 HydrophobicContact CD2-CE1 3.76Å; F141-F154 HydrophobicContact CD2-CG 4.48Å; F141-F154 HydrophobicContact CD2-CZ 4.23Å; F141-F154 HydrophobicContact CG-CE1 4.11Å; F141-F154 HydrophobicContact CG-CZ 4.46Å; A144-F154 HydrophobicContact CB-CD2 3.64Å; A144-F154 HydrophobicContact CB-CE2 3.76Å; A144-F154 HydrophobicContact CB-CG 4.34Å; F154-T156 HydrophobicContact CD1-CG2 4.23Å; F154-T156 HydrophobicContact CE1-CG2 3.53Å; F154-T156 HydrophobicContact CZ-CG2 4.01Å; F154-L171 HydrophobicContact CD1-CD2 3.81Å; F154-L171 HydrophobicContact CE1-CD1 4.46Å; F154-L171 HydrophobicContact CE1-CD2 3.82Å; F154-F175 HydrophobicContact CB-CE1 3.94Å; F154-F175 HydrophobicContact CB-CE2 3.89Å; F154-F175 HydrophobicContact CB-CZ 3.3Å; F154-F175 HydrophobicContact CD1-CE2 4.24Å; F154-F175 HydrophobicContact CD1-CZ 4.46Å; F154-F175 HydrophobicContact CG-CE2 4.46Å; F154-F175 HydrophobicContact CG-CZ 4.22Å; F154-V196 CarbonylContact O-C 3.48Å; F154-V196 WeakPolarHBondContact O-CA 3.38Å; F154-G197 PolarHBondContact N-O 3Å; F154-G197 PolarHBondContact O-N 3.44Å
155V97.8Very high95.6Very high0 Ų045.1 Ų45.10%019%0.193CC..EExtended strand (participates in β ladder)trans-127.6112.4179-177.50000109L35 F41 W58 V114 L115 H116 F194 L195 V196L35-V155 HydrophobicContact CD1-CG1 4.02Å; F41-V155 HydrophobicContact CE1-CG2 4.26Å; F41-V155 HydrophobicContact CZ-CG2 4Å; W58-V155 HydrophobicContact CH2-CG1 4.38Å; V114-V155 PolarHBondContact O-N 3.06Å; L115-V155 CarbonylContact C-O 3.58Å; L115-V155 WeakPolarHBondContact CA-O 3.33Å; L115-V155 HydrophobicContact CD2-CB 3.7Å; L115-V155 HydrophobicContact CD2-CG1 4.47Å; L115-V155 HydrophobicContact CD2-CG2 3.95Å; H116-V155 PolarHBondContact N-O 2.95Å; V155-F194 HydrophobicContact CG1-CD1 4.4Å; V155-L195 WeakPolarHBondContact CA-O 3.42Å; V155-V196 HydrophobicContact CG1-CG2 4.08Å; V155-V196 HydrophobicContact CG2-CG1 4.26Å; V155-V196 HydrophobicContact CG2-CG2 4.14Å
156T97.6Very high95.6Very high0 Ų046.6 Ų46.60%020%0.203CC..EExtended strand (participates in β ladder)trans-125137.7-178-172.40000111.4H116 S137 F154 V158 L171 F194 L195H116-T156 PolarHBondContact ND1-OG1 3.3Å; H116-T156 WeakPolarHBondContact O-CA 3.26Å; S137-T156 PolarHBondContact OG-OG1 2.92Å; F154-T156 HydrophobicContact CD1-CG2 4.23Å; F154-T156 HydrophobicContact CE1-CG2 3.53Å; F154-T156 HydrophobicContact CZ-CG2 4.01Å; T156-V158 HydrophobicContact CG2-CG2 4.06Å; T156-L171 HydrophobicContact CG2-CD1 4.31Å; T156-F194 CarbonylContact O-C 3.52Å; T156-F194 WeakPolarHBondContact O-CA 3.27Å; T156-L195 HydrophobicContact CG2-CB 4.02Å; T156-L195 PolarHBondContact N-O 3.41Å; T156-L195 PolarHBondContact O-N 3.18Å
157K96.5Very high95.7Very high13 Ų1343.8 Ų43.86%0.05719%0.19CC..EExtended strand (participates in β ladder)trans-71.8140.4164.6179173.458.5-153.30109.5H116 D117 G118 Q133 S137 F159 E192 F194H116-K157 PolarHBondContact O-N 3.06Å; D117-K157 WeakPolarHBondContact O-CE 3.34Å; D117-K157 PolarHBondContact O-NZ 2.92Å; D117-K157 WeakPolarHBondContact OD1-CD 3.33Å; D117-K157 WeakPolarHBondContact OD1-CE 3.32Å; D117-K157 IonicContact OD1-NZ 2.63Å; D117-K157 PolarHBondContact OD1-NZ 3.33Å; G118-K157 WeakPolarHBondContact O-CE 3.47Å; G118-K157 PolarHBondContact O-NZ 2.82Å; Q133-K157 PolarHBondContact NE2-O 3.29Å; S137-K157 PolarHBondContact OG-O 2.88Å; K157-F159 HydrophobicContact CD-CE1 4.25Å; K157-E192 HydrophobicContact CD-CB 4.11Å; K157-E192 HydrophobicContact CG-CB 4.25Å; K157-F194 HydrophobicContact CB-CD1 4.15Å; K157-F194 HydrophobicContact CB-CE1 3.73Å; K157-F194 HydrophobicContact CB-CZ 4.24Å; K157-F194 HydrophobicContact CD-CZ 4.46Å; K157-F194 HydrophobicContact CG-CE1 4.36Å; K157-F194 HydrophobicContact CG-CZ 4.4Å
158V96.3Very high95.7Very high0 Ų045.9 Ų45.90%020%0.199CC..EExtended strand (participates in β ladder)trans-136.7144.2171.8-170.50000108.8Q133 T156 Y164 L167 E192 I193 L195Q133-V158 VanDerWaalsContact OE1-CA 3.24Å; T156-V158 HydrophobicContact CG2-CG2 4.06Å; V158-Y164 HydrophobicContact CB-CD2 4.36Å; V158-Y164 HydrophobicContact CG1-CD2 3.98Å; V158-L167 HydrophobicContact CG1-CD2 3.98Å; V158-L167 HydrophobicContact CG2-CD2 3.72Å; V158-E192 WeakPolarHBondContact O-CA 3.29Å; V158-I193 HydrophobicContact CB-CG2 4.38Å; V158-I193 PolarHBondContact N-O 3Å; V158-I193 WeakPolarHBondContact O-CG2 3.32Å; V158-I193 PolarHBondContact O-N 2.84Å; V158-I193 VanDerWaalsContact O-O 3.05Å; V158-L195 HydrophobicContact CG2-CD1 3.79Å; V158-L195 HydrophobicContact CG2-CG 3.98Å
159F95.5Very high95.7Very high12 Ų1252.2 Ų52.25%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-85.9137.7166.6-69.2-7.2000109.7A119 V122 W126 E130 Q133 K157 S161 A191 E192A119-F159 HydrophobicContact CB-CZ 4.21Å; V122-F159 HydrophobicContact CG2-CE2 4.01Å; V122-F159 HydrophobicContact CG2-CZ 4.24Å; W126-F159 AromaticContact CH2-CD2 3.66Å; W126-F159 HydrophobicContact CH2-CD2 3.66Å; W126-F159 AromaticContact CH2-CE2 3.98Å; W126-F159 HydrophobicContact CH2-CE2 3.98Å; W126-F159 HydrophobicContact CH2-CG 4.19Å; W126-F159 HydrophobicContact CZ2-CB 4.38Å; W126-F159 HydrophobicContact CZ2-CD2 4.1Å; W126-F159 HydrophobicContact CZ2-CG 4.44Å; W126-F159 HydrophobicContact CZ3-CD2 4.43Å; W126-F159 HydrophobicContact CZ3-CE2 4.41Å; E130-F159 HydrophobicContact CB-CB 4.48Å; Q133-F159 HydrophobicContact CB-CD2 3.92Å; Q133-F159 HydrophobicContact CB-CE2 4.22Å; Q133-F159 HydrophobicContact CB-CG 4.34Å; Q133-F159 HydrophobicContact CG-CD1 4.24Å; Q133-F159 HydrophobicContact CG-CD2 3.91Å; Q133-F159 HydrophobicContact CG-CE1 4.33Å; Q133-F159 HydrophobicContact CG-CE2 4Å; Q133-F159 HydrophobicContact CG-CG 4.03Å; Q133-F159 HydrophobicContact CG-CZ 4.21Å; K157-F159 HydrophobicContact CD-CE1 4.25Å; F159-S161 VanDerWaalsContact C-N 3.35Å; F159-S161 PolarHBondContact O-N 2.81Å; F159-A191 HydrophobicContact CB-CB 4.38Å; F159-E192 HydrophobicContact CD1-CB 4.15Å; F159-E192 HydrophobicContact CE1-CB 4.17Å
160R93.5Very high95.7Very high142 Ų14247.5 Ų47.554%0.53621%0.205SC..SBendtrans-73.588.9178.6-69.6-179.9-62.9131.65.5110.9A191 I193R160-A191 WeakPolarHBondContact CG-O 3.1Å; R160-A191 PolarHBondContact N-O 3.42Å; R160-A191 PolarHBondContact NE-O 2.9Å; R160-I193 HydrophobicContact CG-CB 4.2Å; R160-I193 HydrophobicContact CG-CG2 3.71Å
161S92.3Very high95.7Very high24 Ų2437.9 Ų37.917%0.16817%0.169CC..SBendtrans-114.3-167.2174.368.60000111.5E130 F159 D163E130-S161 VanDerWaalsContact CG-CB 3.47Å; E130-S161 WeakPolarHBondContact OE2-CB 3.48Å; F159-S161 VanDerWaalsContact C-N 3.35Å; F159-S161 PolarHBondContact O-N 2.81Å; S161-D163 VanDerWaalsContact C-N 3.29Å; S161-D163 VanDerWaalsContact CB-OD2 3.29Å; S161-D163 WeakPolarHBondContact CB-OD2 3.45Å; S161-D163 PolarHBondContact OG-N 3.33Å; S161-D163 VanDerWaalsContact OG-N 3.11Å; S161-D163 PolarHBondContact OG-OD2 3.42Å
162R92.4Very high95.7Very high158 Ų15839.2 Ų39.260%0.59617%0.174SC*.SBendtrans-63.9-34.5167.267.5-171.6-169.9159.38.6112.5Y164 P166 E219R162-Y164 VanDerWaalsContact C-N 3.28Å; R162-Y164 PolarHBondContact O-N 3.11Å; R162-P166 VanDerWaalsContact O-CD 3.32Å; R162-P166 WeakPolarHBondContact O-CD 3.29Å; R162-E219 IonicContact CZ-OE1 3.84Å; R162-E219 IonicContact NH1-OE1 3.69Å; R162-E219 PolarHBondContact NH1-OE1 3Å; R162-E219 IonicContact NH2-OE1 2.73Å; R162-E219 PolarHBondContact NH2-OE1 3.15Å
163D93.7Very high95.6Very high4 Ų443.6 Ų43.62%0.02119%0.194CC..THydrogen-bonded Turntrans-77.4-13.9-172.3-32.4-79.4000112.8A134 S161 E165 P166 L167 F217A134-D163 HydrophobicContact CB-CB 3.74Å; S161-D163 VanDerWaalsContact C-N 3.29Å; S161-D163 VanDerWaalsContact CB-OD2 3.29Å; S161-D163 WeakPolarHBondContact CB-OD2 3.45Å; S161-D163 PolarHBondContact OG-N 3.33Å; S161-D163 VanDerWaalsContact OG-N 3.11Å; S161-D163 PolarHBondContact OG-OD2 3.42Å; D163-E165 PolarHBondContact O-N 3.02Å; D163-P166 WeakPolarHBondContact O-CD 3.38Å; D163-L167 WeakPolarHBondContact O-CB 3.31Å; D163-L167 PolarHBondContact O-N 2.95Å; D163-L167 VanDerWaalsContact O-N 3.1Å; D163-F217 HydrophobicContact CB-CD1 3.66Å; D163-F217 HydrophobicContact CB-CE1 3.8Å; D163-F217 HydrophobicContact CB-CG 4.42Å
164Y94.9Very high95.6Very high37 Ų3742 Ų4215%0.14519%0.188CC..Hα-helixtrans-60.2-42.1179.4163.4-89.6000113.6V158 R162 K168 A180 I193 L195V158-Y164 HydrophobicContact CB-CD2 4.36Å; V158-Y164 HydrophobicContact CG1-CD2 3.98Å; R162-Y164 VanDerWaalsContact C-N 3.28Å; R162-Y164 PolarHBondContact O-N 3.11Å; Y164-K168 HydrophobicContact CE1-CD 4.09Å; Y164-K168 VanDerWaalsContact O-CB 3.26Å; Y164-K168 WeakPolarHBondContact O-CB 3.41Å; Y164-K168 PolarHBondContact O-N 3.05Å; Y164-A180 WeakPolarHBondContact OH-CB 3.12Å; Y164-I193 HydrophobicContact CD2-CG2 3.95Å; Y164-I193 HydrophobicContact CE2-CG2 3.65Å; Y164-L195 HydrophobicContact CE2-CD1 4.36Å; Y164-L195 HydrophobicContact CE2-CD2 3.72Å; Y164-L195 HydrophobicContact CE2-CG 4.24Å
165E94.4Very high95.6Very high98 Ų9842.1 Ų42.146%0.45819%0.189SC..Hα-helixtrans-77-41-176.1-167.562.1-150.500112.2D163 K168 W169D163-E165 PolarHBondContact O-N 3.02Å; E165-K168 PolarHBondContact O-N 3.31Å; E165-K168 IonicContact OE1-NZ 3.8Å; E165-K168 PolarHBondContact OE1-NZ 3.35Å; E165-K168 IonicContact OE2-NZ 3.79Å; E165-K168 PolarHBondContact OE2-NZ 3.43Å; E165-W169 WeakPolarHBondContact O-CB 3.31Å; E165-W169 PolarHBondContact O-N 2.95Å
166P95.1Very high95.5Very high45 Ų4551.5 Ų51.529%0.29222%0.224SC..Hα-helixtrans-56.1-46.7166.9-25.933.6000113.5R162 D163 K168 W169 V170 V216 F217R162-P166 VanDerWaalsContact O-CD 3.32Å; R162-P166 WeakPolarHBondContact O-CD 3.29Å; D163-P166 WeakPolarHBondContact O-CD 3.38Å; P166-K168 VanDerWaalsContact C-N 3.33Å; P166-K168 PolarHBondContact O-N 3.44Å; P166-W169 WeakPolarHBondContact O-CB 3.28Å; P166-W169 PolarHBondContact O-N 3.2Å; P166-W169 VanDerWaalsContact O-N 3.11Å; P166-V170 PolarHBondContact O-N 2.81Å; P166-V216 WeakPolarHBondContact CB-O 3.31Å; P166-F217 HydrophobicContact CB-CD1 4.4Å
167L95.7Very high95.5Very high1 Ų154 Ų541%0.00524%0.24CC..Hα-helixtrans-60.7-42.1176.7-177.760.9000112L138 V158 D163 W169 V170 L171 F217L138-L167 HydrophobicContact CB-CD1 4.34Å; L138-L167 HydrophobicContact CD1-CD1 4.06Å; V158-L167 HydrophobicContact CG1-CD2 3.98Å; V158-L167 HydrophobicContact CG2-CD2 3.72Å; D163-L167 WeakPolarHBondContact O-CB 3.31Å; D163-L167 PolarHBondContact O-N 2.95Å; D163-L167 VanDerWaalsContact O-N 3.1Å; L167-W169 VanDerWaalsContact C-N 3.33Å; L167-V170 PolarHBondContact O-N 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.39Å; L167-L171 PolarHBondContact O-N 3.3Å; L167-F217 HydrophobicContact CB-CE1 4.13Å
168K96.5Very high95.6Very high50 Ų5054.8 Ų54.822%0.21725%0.245CC..Hα-helixtrans-66.1-34.3175.5169.8169.1152.5-86.50112.4Y164 E165 P166 S172 V178 L195Y164-K168 HydrophobicContact CE1-CD 4.09Å; Y164-K168 VanDerWaalsContact O-CB 3.26Å; Y164-K168 WeakPolarHBondContact O-CB 3.41Å; Y164-K168 PolarHBondContact O-N 3.05Å; E165-K168 PolarHBondContact O-N 3.31Å; E165-K168 IonicContact OE1-NZ 3.8Å; E165-K168 PolarHBondContact OE1-NZ 3.35Å; E165-K168 IonicContact OE2-NZ 3.79Å; E165-K168 PolarHBondContact OE2-NZ 3.43Å; P166-K168 VanDerWaalsContact C-N 3.33Å; P166-K168 PolarHBondContact O-N 3.44Å; K168-S172 WeakPolarHBondContact O-CB 3.44Å; K168-S172 PolarHBondContact O-N 3.12Å; K168-S172 VanDerWaalsContact O-N 3.09Å; K168-S172 PolarHBondContact O-OG 3.35Å; K168-V178 HydrophobicContact CG-CG1 4.44Å; K168-L195 HydrophobicContact CB-CD1 4.07Å; K168-L195 HydrophobicContact CD-CD2 4.35Å
169W95.8Very high95.6Very high141 Ų14160.4 Ų60.453%0.53427%0.266SS..Hα-helixtrans-66.4-46.9174.3178.689.1000111.2E165 P166 L167 L171 S172 Q173 F210E165-W169 WeakPolarHBondContact O-CB 3.31Å; E165-W169 PolarHBondContact O-N 2.95Å; P166-W169 WeakPolarHBondContact O-CB 3.28Å; P166-W169 PolarHBondContact O-N 3.2Å; P166-W169 VanDerWaalsContact O-N 3.11Å; L167-W169 VanDerWaalsContact C-N 3.33Å; W169-L171 PolarHBondContact O-N 3.02Å; W169-S172 WeakPolarHBondContact O-CB 3.33Å; W169-S172 PolarHBondContact O-N 3.16Å; W169-Q173 HydrophobicContact CH2-CG 4.45Å; W169-Q173 HydrophobicContact CZ2-CG 4.47Å; W169-Q173 PolarHBondContact O-N 2.83Å; W169-F210 AromaticContact CH2-CE1 3.83Å; W169-F210 HydrophobicContact CH2-CE1 3.83Å; W169-F210 HydrophobicContact CZ3-CD1 4.23Å; W169-F210 AromaticContact CZ3-CE1 3.77Å; W169-F210 HydrophobicContact CZ3-CE1 3.77Å
170V96.4Very high95.6Very high2 Ų262 Ų621%0.01228%0.281CS..Hα-helixtrans-55.5-53.3174172.10000110.3F141 P166 L167 S172 Q173 F174 F210 V216F141-V170 HydrophobicContact CD1-CG1 4.32Å; F141-V170 HydrophobicContact CE1-CG1 3.9Å; P166-V170 PolarHBondContact O-N 2.81Å; L167-V170 PolarHBondContact O-N 3.31Å; V170-S172 PolarHBondContact O-N 3.23Å; V170-S172 VanDerWaalsContact O-N 3.1Å; V170-Q173 WeakPolarHBondContact O-CB 3.5Å; V170-Q173 PolarHBondContact O-N 3.23Å; V170-F174 HydrophobicContact CG1-CD2 4.39Å; V170-F174 HydrophobicContact CG1-CE2 4.12Å; V170-F174 WeakPolarHBondContact O-CD2 3.28Å; V170-F210 HydrophobicContact CG1-CB 4.46Å; V170-V216 HydrophobicContact CG2-CB 4.35Å; V170-V216 HydrophobicContact CG2-CG1 3.64Å; V170-V216 HydrophobicContact CG2-CG2 3.84Å
171L96.5Very high95.7Very high0 Ų055.8 Ų55.80%026%0.259CS..Hα-helixtrans-56.6-31.9178.1-68.4176.2000112.7F141 F154 T156 L167 W169 Q173 F174 F175 V178 L195F141-L171 HydrophobicContact CB-CD2 4.36Å; F141-L171 HydrophobicContact CD1-CD2 3.93Å; F141-L171 HydrophobicContact CD2-CD2 3.39Å; F141-L171 HydrophobicContact CE1-CD2 4.09Å; F141-L171 HydrophobicContact CE2-CD2 3.61Å; F141-L171 HydrophobicContact CG-CD2 3.59Å; F141-L171 HydrophobicContact CZ-CD2 3.95Å; F154-L171 HydrophobicContact CD1-CD2 3.81Å; F154-L171 HydrophobicContact CE1-CD1 4.46Å; F154-L171 HydrophobicContact CE1-CD2 3.82Å; T156-L171 HydrophobicContact CG2-CD1 4.31Å; L167-L171 WeakPolarHBondContact O-CG 3.39Å; L167-L171 PolarHBondContact O-N 3.3Å; W169-L171 PolarHBondContact O-N 3.02Å; L171-Q173 PolarHBondContact O-N 3.01Å; L171-F174 PolarHBondContact O-N 3.29Å; L171-F175 HydrophobicContact CB-CD2 4.43Å; L171-F175 HydrophobicContact CD2-CD2 4.32Å; L171-F175 HydrophobicContact CD2-CE2 4.03Å; L171-F175 WeakPolarHBondContact O-CD2 3.42Å; L171-F175 PolarHBondContact O-N 2.91Å; L171-V178 HydrophobicContact CB-CG1 4.38Å; L171-V178 HydrophobicContact CB-CG2 3.89Å; L171-L195 HydrophobicContact CD1-CB 4.11Å; L171-L195 HydrophobicContact CD1-CD1 3.74Å
172S96.3Very high95.9Very high57 Ų5758 Ų5840%0.39927%0.265SS..Hα-helixtrans-71.7-15.8179.2-58.90000113.7K168 W169 V170K168-S172 WeakPolarHBondContact O-CB 3.44Å; K168-S172 PolarHBondContact O-N 3.12Å; K168-S172 VanDerWaalsContact O-N 3.09Å; K168-S172 PolarHBondContact O-OG 3.35Å; W169-S172 WeakPolarHBondContact O-CB 3.33Å; W169-S172 PolarHBondContact O-N 3.16Å; V170-S172 PolarHBondContact O-N 3.23Å; V170-S172 VanDerWaalsContact O-N 3.1Å
173Q95.8Very high96Very high92 Ų9251 Ų5143%0.4324%0.24SC..Hα-helixtrans-79.7-25171.4-55.3-55.7-28.300112.7W169 V170 L171 F210W169-Q173 HydrophobicContact CH2-CG 4.45Å; W169-Q173 HydrophobicContact CZ2-CG 4.47Å; W169-Q173 PolarHBondContact O-N 2.83Å; V170-Q173 WeakPolarHBondContact O-CB 3.5Å; V170-Q173 PolarHBondContact O-N 3.23Å; L171-Q173 PolarHBondContact O-N 3.01Å; Q173-F210 HydrophobicContact CG-CE1 4.13Å
174F96.9Very high96Very high6 Ų658.4 Ų58.43%0.02628%0.275CS..Hα-helixtrans-105.1-17.9-175.1-67.7-91.9000114.2F141 T145 V170 L171 Y200 I201 P203 I206 F210F141-F174 AromaticContact CE1-CD2 3.82Å; F141-F174 HydrophobicContact CE1-CD2 3.82Å; F141-F174 HydrophobicContact CE1-CE2 4.05Å; F141-F174 HydrophobicContact CE1-CG 4.29Å; F141-F174 HydrophobicContact CE2-CB 4.42Å; F141-F174 HydrophobicContact CZ-CB 3.77Å; F141-F174 HydrophobicContact CZ-CD1 4.21Å; F141-F174 AromaticContact CZ-CD2 3.57Å; F141-F174 HydrophobicContact CZ-CD2 3.57Å; F141-F174 HydrophobicContact CZ-CE2 4.19Å; F141-F174 AromaticContact CZ-CG 3.6Å; F141-F174 HydrophobicContact CZ-CG 3.6Å; T145-F174 HydrophobicContact CG2-CD1 4.35Å; T145-F174 HydrophobicContact CG2-CE1 4.46Å; V170-F174 HydrophobicContact CG1-CD2 4.39Å; V170-F174 HydrophobicContact CG1-CE2 4.12Å; V170-F174 WeakPolarHBondContact O-CD2 3.28Å; L171-F174 PolarHBondContact O-N 3.29Å; F174-Y200 HydrophobicContact CB-CD2 4.24Å; F174-Y200 HydrophobicContact CB-CE2 3.98Å; F174-Y200 HydrophobicContact CD1-CE2 4.09Å; F174-Y200 HydrophobicContact CG-CE2 4.48Å; F174-Y200 WeakPolarHBondContact O-CD2 3.46Å; F174-I201 WeakPolarHBondContact O-CB 3.38Å; F174-I201 WeakPolarHBondContact O-CG1 3.22Å; F174-I201 PolarHBondContact O-N 2.63Å; F174-P203 HydrophobicContact CD1-CG 4.02Å; F174-P203 HydrophobicContact CE1-CG 4Å; F174-I206 HydrophobicContact CE1-CD1 4.04Å; F174-I206 HydrophobicContact CE1-CG1 4.04Å; F174-I206 HydrophobicContact CE1-CG2 3.89Å; F174-I206 HydrophobicContact CZ-CG2 3.85Å; F174-F210 HydrophobicContact CE2-CB 3.87Å; F174-F210 HydrophobicContact CE2-CD1 4.32Å; F174-F210 HydrophobicContact CE2-CD2 4.39Å; F174-F210 AromaticContact CE2-CG 3.96Å; F174-F210 HydrophobicContact CE2-CG 3.96Å; F174-F210 HydrophobicContact CZ-CB 3.87Å; F174-F210 HydrophobicContact CZ-CD2 4.11Å; F174-F210 HydrophobicContact CZ-CG 4.05Å
175F97.5Very high95.9Very high3 Ų356.7 Ų56.71%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-121135.2-179.9-68.9-80.8000111.2F141 L148 F154 L171 T177 V178 G197 Y200F141-F175 HydrophobicContact CD2-CE2 4.29Å; F141-F175 AromaticContact CE2-CE2 3.61Å; F141-F175 HydrophobicContact CE2-CE2 3.61Å; F141-F175 HydrophobicContact CE2-CZ 4.26Å; F141-F175 HydrophobicContact CZ-CE2 4.4Å; L148-F175 HydrophobicContact CD2-CE1 3.79Å; L148-F175 HydrophobicContact CD2-CZ 3.82Å; F154-F175 HydrophobicContact CB-CE1 3.94Å; F154-F175 HydrophobicContact CB-CE2 3.89Å; F154-F175 HydrophobicContact CB-CZ 3.3Å; F154-F175 HydrophobicContact CD1-CE2 4.24Å; F154-F175 HydrophobicContact CD1-CZ 4.46Å; F154-F175 HydrophobicContact CG-CE2 4.46Å; F154-F175 HydrophobicContact CG-CZ 4.22Å; L171-F175 HydrophobicContact CB-CD2 4.43Å; L171-F175 HydrophobicContact CD2-CD2 4.32Å; L171-F175 HydrophobicContact CD2-CE2 4.03Å; L171-F175 WeakPolarHBondContact O-CD2 3.42Å; L171-F175 PolarHBondContact O-N 2.91Å; F175-T177 PolarHBondContact O-N 2.97Å; F175-T177 VanDerWaalsContact O-N 3.1Å; F175-V178 HydrophobicContact CB-CG2 3.96Å; F175-G197 VanDerWaalsContact CD1-C 3.45Å; F175-Y200 HydrophobicContact CD1-CD2 4.46Å; F175-Y200 AromaticContact CE1-CD2 4Å; F175-Y200 HydrophobicContact CE1-CD2 4Å; F175-Y200 HydrophobicContact CE1-CG 4.23Å; F175-Y200 HydrophobicContact CE2-CD2 4.46Å; F175-Y200 AromaticContact CZ-CD2 3.95Å; F175-Y200 HydrophobicContact CZ-CD2 3.95Å; F175-Y200 HydrophobicContact CZ-CG 4.5Å
176R96.9Very high95.9Very high197 Ų19752.4 Ų52.474%0.74325%0.249SC*.EExtended strand (participates in β ladder)trans-59-25.6176.1-170-179.8179.8-165.11.7112.8Q198 N199R176-Q198 PolarHBondContact N-O 2.65Å; R176-N199 HydrophobicContact CB-CB 4.09Å; R176-N199 PolarHBondContact N-O 3.37Å
177T97.1Very high95.6Very high53 Ų5353.9 Ų53.933%0.32525%0.249SC..EExtended strand (participates in β ladder)trans-151.2122.4178.3-70.30000110.8F175 R179 Q198F175-T177 PolarHBondContact O-N 2.97Å; F175-T177 VanDerWaalsContact O-N 3.1Å; T177-R179 HydrophobicContact CG2-CG 3.89Å; T177-Q198 PolarHBondContact N-O 3.39Å; T177-Q198 PolarHBondContact O-N 2.8Å
178V97.3Very high95.3Very high28 Ų2861.7 Ų61.717%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-109.6124.4172.3-178.30000109.3K168 L171 F175 L195 V196K168-V178 HydrophobicContact CG-CG1 4.44Å; L171-V178 HydrophobicContact CB-CG1 4.38Å; L171-V178 HydrophobicContact CB-CG2 3.89Å; F175-V178 HydrophobicContact CB-CG2 3.96Å; V178-L195 HydrophobicContact CG1-CD2 4.43Å; V178-V196 WeakPolarHBondContact CA-O 3.39Å
179R96.8Very high94.8Very high119 Ų11967.2 Ų67.245%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-119.2127.2179.3-67.7-178.7-178.7-172.52.6111.3F39 T177 I181 V196F39-R179 HydrophobicContact CZ-CB 4.36Å; T177-R179 HydrophobicContact CG2-CG 3.89Å; R179-I181 HydrophobicContact CB-CD1 4.3Å; R179-V196 PolarHBondContact N-O 3.36Å; R179-V196 PolarHBondContact O-N 3.44Å
180A96.6Very high94.4Very high44 Ų4462.1 Ų62.136%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-92.7121.6175.100000110.9Y164 I193 F194 L195Y164-A180 WeakPolarHBondContact OH-CB 3.12Å; A180-I193 HydrophobicContact CB-CD1 3.84Å; A180-I193 HydrophobicContact CB-CG1 4.41Å; A180-F194 CarbonylContact C-O 3.57Å; A180-F194 WeakPolarHBondContact CA-O 3.4Å; A180-L195 HydrophobicContact CB-CD2 3.67Å
181I96Very high94.2Very high12 Ų1262.9 Ų62.96%0.06231%0.308CS..EExtended strand (participates in β ladder)trans-137.3136.6-171.6-69.2168.5000110.7L35 F39 R179 F194L35-I181 HydrophobicContact CD2-CB 4.24Å; L35-I181 HydrophobicContact CD2-CG2 3.77Å; F39-I181 HydrophobicContact CE1-CD1 4.41Å; F39-I181 HydrophobicContact CE2-CD1 3.33Å; F39-I181 HydrophobicContact CZ-CD1 3.21Å; R179-I181 HydrophobicContact CB-CD1 4.3Å; I181-F194 PolarHBondContact N-O 2.86Å; I181-F194 WeakPolarHBondContact O-CB 3.46Å; I181-F194 PolarHBondContact O-N 3.3Å
182K95.5Very high94.1Very high70 Ų7063.5 Ų63.530%0.30431%0.311SS..  trans-112.4107.4168.8-169.2164-173.5169.60109.4S186 R187 S190 E192K182-S186 WeakPolarHBondContact CE-OG 3.5Å; K182-R187 VanDerWaalsContact CE-O 3.28Å; K182-R187 WeakPolarHBondContact CE-O 3.23Å; K182-R187 PolarHBondContact NZ-O 2.78Å; K182-S190 PolarHBondContact NZ-O 3.01Å; K182-E192 WeakPolarHBondContact CD-O 3.28Å; K182-E192 WeakPolarHBondContact CE-O 3.38Å
183P94.8Very high94.1Very high11 Ų1161.8 Ų61.87%0.07130%0.298CS..  trans-69.5153.5178.527.7-32.4000111K31 Q34 A185 S186 F194K31-P183 HydrophobicContact CB-CG 3.95Å; K31-P183 HydrophobicContact CG-CG 4.26Å; Q34-P183 HydrophobicContact CB-CB 3.99Å; P183-A185 PolarHBondContact O-N 2.9Å; P183-S186 WeakPolarHBondContact O-CA 3.04Å; P183-S186 WeakPolarHBondContact O-CB 3.04Å; P183-S186 PolarHBondContact O-N 3.03Å; P183-F194 HydrophobicContact CG-CD2 3.95Å; P183-F194 HydrophobicContact CG-CE2 3.99Å
184E93.3Very high94.2Very high161 Ų16157.4 Ų57.475%0.75228%0.277SS*.THydrogen-bonded Turntrans-63.7-26-178.6-55.6-176.8152.600113.6F15 S186F15-E184 WeakPolarHBondContact CE2-O 3.34Å; F15-E184 HydrophobicContact CZ-CB 4.49Å; E184-S186 PolarHBondContact O-N 3.24Å
185A93.7Very high94.2Very high1 Ų157.2 Ų57.21%0.00828%0.276CS..THydrogen-bonded Turntrans-68.9-15.7172.200000113.2F15 R27 F30 K31 P183F15-A185 HydrophobicContact CD1-CB 4.04Å; F15-A185 HydrophobicContact CD2-CB 4.23Å; F15-A185 HydrophobicContact CE1-CB 4.17Å; F15-A185 HydrophobicContact CE2-CB 4.36Å; F15-A185 HydrophobicContact CG-CB 4.06Å; F15-A185 HydrophobicContact CZ-CB 4.32Å; R27-A185 PolarHBondContact NH1-O 3.39Å; F30-A185 HydrophobicContact CB-CB 3.72Å; K31-A185 HydrophobicContact CG-CB 4.05Å; P183-A185 PolarHBondContact O-N 2.9Å
186S92.9Very high94.2Very high7 Ų757 Ų575%0.04928%0.276CS..SBendtrans-70142.7170.3-175.70000111K182 P183 E184 L188 E192K182-S186 WeakPolarHBondContact CE-OG 3.5Å; P183-S186 WeakPolarHBondContact O-CA 3.04Å; P183-S186 WeakPolarHBondContact O-CB 3.04Å; P183-S186 PolarHBondContact O-N 3.03Å; E184-S186 PolarHBondContact O-N 3.24Å; S186-L188 PolarHBondContact O-N 2.78Å; S186-E192 WeakPolarHBondContact CA-OE1 3.36Å; S186-E192 VanDerWaalsContact CB-OE1 3.28Å; S186-E192 WeakPolarHBondContact CB-OE1 3.41Å; S186-E192 VanDerWaalsContact OG-CD 3.26Å; S186-E192 WeakPolarHBondContact OG-CG 3.48Å; S186-E192 PolarHBondContact OG-OE1 2.82Å
187R90.4Very high94.2Very high77 Ų7747.7 Ų47.729%0.29124%0.24SC..  trans-70.6128.9174.4-82.4170.6-169158.66.9109.4R11 D13 K182 E189 S190R11-R187 PolarHBondContact O-NH2 3.4Å; D13-R187 IonicContact OD1-CZ 3.94Å; D13-R187 IonicContact OD1-NE 3.2Å; D13-R187 IonicContact OD1-NH2 3.17Å; D13-R187 PolarHBondContact OD1-NH2 2.57Å; K182-R187 VanDerWaalsContact CE-O 3.28Å; K182-R187 WeakPolarHBondContact CE-O 3.23Å; K182-R187 PolarHBondContact NZ-O 2.78Å; R187-E189 PolarHBondContact O-N 3.15Å; R187-S190 WeakPolarHBondContact O-CB 3.36Å; R187-S190 PolarHBondContact O-N 2.93Å
188L87.9Confident94.2Very high165 Ų16546.3 Ų46.386%0.86423%0.23SC*.THydrogen-bonded Turntrans-55.8-35.6171.1-67.2176.2000111.7S186 S190S186-L188 PolarHBondContact O-N 2.78Å; L188-S190 VanDerWaalsContact C-N 3.3Å; L188-S190 PolarHBondContact O-N 3.25Å
189E86.6Confident94.1Very high165 Ų16548.3 Ų48.377%0.77124%0.24SC*.THydrogen-bonded Turntrans-68.5-20.8175.6-62.2174.2170.600114.1R187R187-E189 PolarHBondContact O-N 3.15Å
190S88.2Confident94.2Very high34 Ų3443 Ų4324%0.23822%0.22CC..SBendtrans-79.8146.5-178.9-177.50000111.9K182 R187 L188 E192K182-S190 PolarHBondContact NZ-O 3.01Å; R187-S190 WeakPolarHBondContact O-CB 3.36Å; R187-S190 PolarHBondContact O-N 2.93Å; L188-S190 VanDerWaalsContact C-N 3.3Å; L188-S190 PolarHBondContact O-N 3.25Å; S190-E192 PolarHBondContact O-N 3.23Å; S190-E192 WeakPolarHBondContact OG-CB 3.46Å; S190-E192 WeakPolarHBondContact OG-CG 3.44Å; S190-E192 PolarHBondContact OG-N 3.29Å; S190-E192 VanDerWaalsContact OG-N 3.15Å
191A92.1Very high94.1Very high18 Ų1845 Ų4515%0.14922%0.224CC..  trans-69.9-16.7169.500000113.1W126 F159 R160W126-A191 HydrophobicContact CH2-CB 3.64Å; W126-A191 HydrophobicContact CZ2-CB 3.4Å; F159-A191 HydrophobicContact CB-CB 4.38Å; R160-A191 WeakPolarHBondContact CG-O 3.1Å; R160-A191 PolarHBondContact N-O 3.42Å; R160-A191 PolarHBondContact NE-O 2.9Å
192E93.5Very high94Very high13 Ų1346.3 Ų46.36%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-56.1139.4-173.879.5-173-175.700113.8K31 K157 V158 F159 K182 S186 S190K31-E192 WeakPolarHBondContact CE-OE1 3.34Å; K31-E192 VanDerWaalsContact NZ-CD 3.28Å; K31-E192 IonicContact NZ-OE1 3.7Å; K31-E192 PolarHBondContact NZ-OE1 2.72Å; K31-E192 IonicContact NZ-OE2 2.65Å; K31-E192 PolarHBondContact NZ-OE2 2.88Å; K157-E192 HydrophobicContact CD-CB 4.11Å; K157-E192 HydrophobicContact CG-CB 4.25Å; V158-E192 WeakPolarHBondContact O-CA 3.29Å; F159-E192 HydrophobicContact CD1-CB 4.15Å; F159-E192 HydrophobicContact CE1-CB 4.17Å; K182-E192 WeakPolarHBondContact CD-O 3.28Å; K182-E192 WeakPolarHBondContact CE-O 3.38Å; S186-E192 WeakPolarHBondContact CA-OE1 3.36Å; S186-E192 VanDerWaalsContact CB-OE1 3.28Å; S186-E192 WeakPolarHBondContact CB-OE1 3.41Å; S186-E192 VanDerWaalsContact OG-CD 3.26Å; S186-E192 WeakPolarHBondContact OG-CG 3.48Å; S186-E192 PolarHBondContact OG-OE1 2.82Å; S190-E192 PolarHBondContact O-N 3.23Å; S190-E192 WeakPolarHBondContact OG-CB 3.46Å; S190-E192 WeakPolarHBondContact OG-CG 3.44Å; S190-E192 PolarHBondContact OG-N 3.29Å; S190-E192 VanDerWaalsContact OG-N 3.15Å
193I96.2Very high94Very high22 Ų2245.4 Ų45.411%0.11324%0.238CC..EExtended strand (participates in β ladder)trans-142153.9169.9-168.8164.1000108V158 R160 Y164 A180V158-I193 HydrophobicContact CB-CG2 4.38Å; V158-I193 PolarHBondContact N-O 3Å; V158-I193 WeakPolarHBondContact O-CG2 3.32Å; V158-I193 PolarHBondContact O-N 2.84Å; V158-I193 VanDerWaalsContact O-O 3.05Å; R160-I193 HydrophobicContact CG-CB 4.2Å; R160-I193 HydrophobicContact CG-CG2 3.71Å; Y164-I193 HydrophobicContact CD2-CG2 3.95Å; Y164-I193 HydrophobicContact CE2-CG2 3.65Å; A180-I193 HydrophobicContact CB-CD1 3.84Å; A180-I193 HydrophobicContact CB-CG1 4.41Å
194F97.3Very high93.9Very high0 Ų050.5 Ų50.50%028%0.281CS..EExtended strand (participates in β ladder)trans-106.9128.9175.7-68.9-90.4000109.8K31 L35 W58 V155 T156 K157 A180 I181 P183K31-F194 HydrophobicContact CD-CE2 3.84Å; K31-F194 HydrophobicContact CD-CZ 3.61Å; L35-F194 HydrophobicContact CD1-CB 4.21Å; L35-F194 HydrophobicContact CD1-CD1 4.12Å; L35-F194 HydrophobicContact CD1-CD2 4.49Å; L35-F194 HydrophobicContact CD1-CG 4Å; W58-F194 AromaticContact CH2-CD1 3.99Å; W58-F194 HydrophobicContact CH2-CD1 3.99Å; W58-F194 AromaticContact CH2-CE1 3.52Å; W58-F194 HydrophobicContact CH2-CE1 3.52Å; W58-F194 HydrophobicContact CH2-CZ 4.46Å; W58-F194 HydrophobicContact CZ2-CD1 4.36Å; W58-F194 AromaticContact CZ2-CE1 3.57Å; W58-F194 HydrophobicContact CZ2-CE1 3.57Å; W58-F194 HydrophobicContact CZ2-CZ 4.09Å; V155-F194 HydrophobicContact CG1-CD1 4.4Å; T156-F194 CarbonylContact O-C 3.52Å; T156-F194 WeakPolarHBondContact O-CA 3.27Å; K157-F194 HydrophobicContact CB-CD1 4.15Å; K157-F194 HydrophobicContact CB-CE1 3.73Å; K157-F194 HydrophobicContact CB-CZ 4.24Å; K157-F194 HydrophobicContact CD-CZ 4.46Å; K157-F194 HydrophobicContact CG-CE1 4.36Å; K157-F194 HydrophobicContact CG-CZ 4.4Å; A180-F194 CarbonylContact C-O 3.57Å; A180-F194 WeakPolarHBondContact CA-O 3.4Å; I181-F194 PolarHBondContact N-O 2.86Å; I181-F194 WeakPolarHBondContact O-CB 3.46Å; I181-F194 PolarHBondContact O-N 3.3Å; P183-F194 HydrophobicContact CG-CD2 3.95Å; P183-F194 HydrophobicContact CG-CE2 3.99Å
195L97.4Very high93.9Very high1 Ų153.8 Ų53.81%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-93.9127.8167-65.5-177000108.5V155 T156 V158 Y164 K168 L171 V178 A180V155-L195 WeakPolarHBondContact CA-O 3.42Å; T156-L195 HydrophobicContact CG2-CB 4.02Å; T156-L195 PolarHBondContact N-O 3.41Å; T156-L195 PolarHBondContact O-N 3.18Å; V158-L195 HydrophobicContact CG2-CD1 3.79Å; V158-L195 HydrophobicContact CG2-CG 3.98Å; Y164-L195 HydrophobicContact CE2-CD1 4.36Å; Y164-L195 HydrophobicContact CE2-CD2 3.72Å; Y164-L195 HydrophobicContact CE2-CG 4.24Å; K168-L195 HydrophobicContact CB-CD1 4.07Å; K168-L195 HydrophobicContact CD-CD2 4.35Å; L171-L195 HydrophobicContact CD1-CB 4.11Å; L171-L195 HydrophobicContact CD1-CD1 3.74Å; V178-L195 HydrophobicContact CG1-CD2 4.43Å; A180-L195 HydrophobicContact CB-CD2 3.67Å
196V97.5Very high93.9Very high0 Ų055.9 Ų55.90%030%0.297CS..EExtended strand (participates in β ladder)trans-117.3103178.9175.60000107.7L35 F39 W153 F154 V155 V178 R179 Q198L35-V196 HydrophobicContact CD2-CG2 4.31Å; F39-V196 HydrophobicContact CD2-CG1 4.12Å; F39-V196 HydrophobicContact CE2-CB 4.07Å; F39-V196 HydrophobicContact CE2-CG1 3.76Å; F39-V196 HydrophobicContact CE2-CG2 3.89Å; F39-V196 HydrophobicContact CZ-CB 4.45Å; F39-V196 HydrophobicContact CZ-CG1 4.16Å; W153-V196 HydrophobicContact CE3-CG1 4.09Å; W153-V196 HydrophobicContact CZ3-CG1 4.18Å; F154-V196 CarbonylContact O-C 3.48Å; F154-V196 WeakPolarHBondContact O-CA 3.38Å; V155-V196 HydrophobicContact CG1-CG2 4.08Å; V155-V196 HydrophobicContact CG2-CG1 4.26Å; V155-V196 HydrophobicContact CG2-CG2 4.14Å; V178-V196 WeakPolarHBondContact CA-O 3.39Å; R179-V196 PolarHBondContact N-O 3.36Å; R179-V196 PolarHBondContact O-N 3.44Å; V196-Q198 HydrophobicContact CG1-CG 4.15Å
197G97.3Very high93.9Very high0 Ų058.9 Ų58.90%031%0.312CS..EExtended strand (participates in β ladder)trans-81.6126169.900000110.4W153 F154 F175W153-G197 WeakPolarHBondContact CA-O 3.33Å; F154-G197 PolarHBondContact N-O 3Å; F154-G197 PolarHBondContact O-N 3.44Å; F175-G197 VanDerWaalsContact CD1-C 3.45Å
198Q96.1Very high94.1Very high24 Ų2460 Ų6011%0.11233%0.329CS..EExtended strand (participates in β ladder)trans-115.8139.1-178.3-45.3-169.7-15.200109.8W153 R176 T177 V196W153-Q198 HydrophobicContact CE3-CB 4.32Å; W153-Q198 HydrophobicContact CE3-CG 3.92Å; W153-Q198 HydrophobicContact CH2-CB 4.32Å; W153-Q198 HydrophobicContact CH2-CG 4.04Å; W153-Q198 HydrophobicContact CZ3-CB 4.1Å; W153-Q198 HydrophobicContact CZ3-CG 3.5Å; W153-Q198 VanDerWaalsContact CZ3-CG 3.5Å; R176-Q198 PolarHBondContact N-O 2.65Å; T177-Q198 PolarHBondContact N-O 3.39Å; T177-Q198 PolarHBondContact O-N 2.8Å; V196-Q198 HydrophobicContact CG1-CG 4.15Å
199N96.3Very high94.4Very high71 Ų7157.7 Ų57.738%0.3831%0.312SS..EExtended strand (participates in β ladder)trans54.577178.5-58.220.7000112.1G152 R176 I201G152-N199 PolarHBondContact O-N 3.02Å; R176-N199 HydrophobicContact CB-CB 4.09Å; R176-N199 PolarHBondContact N-O 3.37Å; N199-I201 PolarHBondContact O-N 3.11Å
200Y97.7Very high94.7Very high8 Ų852.6 Ų52.63%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-54.1130.3171.8-174.8-132000111.4T145 L148 R149 G151 G152 F174 F175 A202T145-Y200 VanDerWaalsContact CA-OH 3.29Å; T145-Y200 WeakPolarHBondContact CA-OH 3.38Å; T145-Y200 WeakPolarHBondContact CB-OH 3.39Å; T145-Y200 HydrophobicContact CG2-CE2 4.38Å; T145-Y200 PolarHBondContact O-OH 3.09Å; L148-Y200 HydrophobicContact CB-CD1 4.09Å; L148-Y200 HydrophobicContact CB-CE1 4.31Å; L148-Y200 HydrophobicContact CD2-CD1 3.97Å; L148-Y200 HydrophobicContact CD2-CD2 4.26Å; L148-Y200 HydrophobicContact CD2-CG 3.72Å; L148-Y200 HydrophobicContact CG-CD1 4.14Å; L148-Y200 HydrophobicContact CG-CG 4.36Å; R149-Y200 WeakPolarHBondContact O-CD1 3.28Å; G151-Y200 PolarHBondContact N-O 3.29Å; G152-Y200 PolarHBondContact O-N 2.89Å; F174-Y200 HydrophobicContact CB-CD2 4.24Å; F174-Y200 HydrophobicContact CB-CE2 3.98Å; F174-Y200 HydrophobicContact CD1-CE2 4.09Å; F174-Y200 HydrophobicContact CG-CE2 4.48Å; F174-Y200 WeakPolarHBondContact O-CD2 3.46Å; F175-Y200 HydrophobicContact CD1-CD2 4.46Å; F175-Y200 AromaticContact CE1-CD2 4Å; F175-Y200 HydrophobicContact CE1-CD2 4Å; F175-Y200 HydrophobicContact CE1-CG 4.23Å; F175-Y200 HydrophobicContact CE2-CD2 4.46Å; F175-Y200 AromaticContact CZ-CD2 3.95Å; F175-Y200 HydrophobicContact CZ-CD2 3.95Å; F175-Y200 HydrophobicContact CZ-CG 4.5Å; Y200-A202 HydrophobicContact CD1-CB 3.78Å; Y200-A202 HydrophobicContact CE1-CB 3.68Å
201I96.3Very high94.9Very high86 Ų8653.1 Ų53.144%0.44129%0.288SS..  trans-74.5-32.5-176.8-63.6171.4000110.8F174 N199F174-I201 WeakPolarHBondContact O-CB 3.38Å; F174-I201 WeakPolarHBondContact O-CG1 3.22Å; F174-I201 PolarHBondContact O-N 2.63Å; N199-I201 PolarHBondContact O-N 3.11Å
202A94Very high95Very high39 Ų3954.9 Ų54.932%0.32229%0.294SS..  trans53.667.9-174.200000112.9R150 Y200R150-A202 HydrophobicContact CB-CB 3.85Å; R150-A202 HydrophobicContact CG-CB 4.18Å; Y200-A202 HydrophobicContact CD1-CB 3.78Å; Y200-A202 HydrophobicContact CE1-CB 3.68Å
203P94.2Very high95Very high51 Ų5155 Ų5533%0.33130%0.298SS..  trans-63.4144.4175.329.6-36.1000111.4F174 R205 I206F174-P203 HydrophobicContact CD1-CG 4.02Å; F174-P203 HydrophobicContact CE1-CG 4Å; P203-R205 VanDerWaalsContact C-N 3.28Å; P203-R205 PolarHBondContact O-N 2.87Å; P203-I206 HydrophobicContact CG-CG1 4.03Å
204A92.4Very high94.8Very high118 Ų11863.2 Ų63.298%0.97533%0.328SS*.SBendtrans-66.2-27.5-176.400000114
205R93.4Very high94.6Very high229 Ų22969.1 Ų69.186%0.86436%0.355SS*.SBendtrans-138.8136.3173.6-173.3174.3-179170-0.3108.9P203P203-R205 VanDerWaalsContact C-N 3.28Å; P203-R205 PolarHBondContact O-N 2.87Å
206I93.6Very high94.5Very high46 Ų4669.8 Ų69.824%0.23636%0.359CS..  trans-105.8132178.2-58.6-178.4000108T145 F174 P203 L211T145-I206 HydrophobicContact CG2-CD1 4.22Å; F174-I206 HydrophobicContact CE1-CD1 4.04Å; F174-I206 HydrophobicContact CE1-CG1 4.04Å; F174-I206 HydrophobicContact CE1-CG2 3.89Å; F174-I206 HydrophobicContact CZ-CG2 3.85Å; P203-I206 HydrophobicContact CG-CG1 4.03Å; I206-L211 HydrophobicContact CG2-CD1 4.16Å; I206-L211 HydrophobicContact CG2-CG 4.39Å
207D94.3Very high94.3Very high70 Ų7070.5 Ų70.537%0.37436%0.362SS..  trans-73.1121.9168.9-179.5-11.1000108.6K209 F210D207-K209 PolarHBondContact O-N 3.13Å; D207-K209 VanDerWaalsContact OD1-CB 3.32Å; D207-K209 WeakPolarHBondContact OD1-CB 3.45Å; D207-K209 WeakPolarHBondContact OD1-CG 3.42Å; D207-K209 PolarHBondContact OD1-N 3Å; D207-F210 HydrophobicContact CB-CD2 3.83Å; D207-F210 HydrophobicContact CB-CE2 4.02Å; D207-F210 PolarHBondContact O-N 3.14Å
208P93.6Very high93.8Very high100 Ų10072.2 Ų72.265%0.64938%0.38SS*.G310 helixtrans-56.1-22.9178.623.6-35.3000113.7F210 L211 D212P208-F210 PolarHBondContact O-N 2.82Å; P208-L211 PolarHBondContact O-N 2.71Å; P208-D212 PolarHBondContact O-N 3.22Å; P208-D212 VanDerWaalsContact O-N 3.1Å
209K93.7Very high93.2Very high117 Ų11778.1 Ų78.151%0.50941%0.407SS..G310 helixtrans-58.9-27.8174.7-69.3179.4-176.5177.30114D207 L211D207-K209 PolarHBondContact O-N 3.13Å; D207-K209 VanDerWaalsContact OD1-CB 3.32Å; D207-K209 WeakPolarHBondContact OD1-CB 3.45Å; D207-K209 WeakPolarHBondContact OD1-CG 3.42Å; D207-K209 PolarHBondContact OD1-N 3Å; K209-L211 PolarHBondContact O-N 3.2Å
210F93.8Very high92.4Very high58 Ų5881.1 Ų81.125%0.25443%0.428SS..G310 helixtrans-73.6-13.7174.4-71.2-67.2000113.8W169 V170 Q173 F174 D207 P208 V216W169-F210 AromaticContact CH2-CE1 3.83Å; W169-F210 HydrophobicContact CH2-CE1 3.83Å; W169-F210 HydrophobicContact CZ3-CD1 4.23Å; W169-F210 AromaticContact CZ3-CE1 3.77Å; W169-F210 HydrophobicContact CZ3-CE1 3.77Å; V170-F210 HydrophobicContact CG1-CB 4.46Å; Q173-F210 HydrophobicContact CG-CE1 4.13Å; F174-F210 HydrophobicContact CE2-CB 3.87Å; F174-F210 HydrophobicContact CE2-CD1 4.32Å; F174-F210 HydrophobicContact CE2-CD2 4.39Å; F174-F210 AromaticContact CE2-CG 3.96Å; F174-F210 HydrophobicContact CE2-CG 3.96Å; F174-F210 HydrophobicContact CZ-CB 3.87Å; F174-F210 HydrophobicContact CZ-CD2 4.11Å; F174-F210 HydrophobicContact CZ-CG 4.05Å; D207-F210 HydrophobicContact CB-CD2 3.83Å; D207-F210 HydrophobicContact CB-CE2 4.02Å; D207-F210 PolarHBondContact O-N 3.14Å; P208-F210 PolarHBondContact O-N 2.82Å; F210-V216 WeakPolarHBondContact O-CG2 3.42Å
211L93.2Very high91.1Very high45 Ų4587.9 Ų87.924%0.23647%0.465CS..THydrogen-bonded Turntrans-113.2-13.3-176.6-57.2-178.5000112.9F141 A142 I206 P208 K209F141-L211 HydrophobicContact CD1-CD2 4.12Å; F141-L211 HydrophobicContact CE1-CD2 4.12Å; A142-L211 HydrophobicContact CB-CB 4.5Å; A142-L211 HydrophobicContact CB-CD1 4.2Å; A142-L211 HydrophobicContact CB-CD2 4.07Å; A142-L211 HydrophobicContact CB-CG 4.49Å; I206-L211 HydrophobicContact CG2-CD1 4.16Å; I206-L211 HydrophobicContact CG2-CG 4.39Å; P208-L211 PolarHBondContact O-N 2.71Å; K209-L211 PolarHBondContact O-N 3.2Å
212D94.3Very high89.8Confident54 Ų5487.5 Ų87.529%0.28948%0.475SS..  trans-79.7117.5172-169.7-19.8000111.2P208 R214 H215 V216P208-D212 PolarHBondContact O-N 3.22Å; P208-D212 VanDerWaalsContact O-N 3.1Å; D212-R214 PolarHBondContact O-N 3.46Å; D212-R214 VanDerWaalsContact O-N 3.15Å; D212-R214 WeakPolarHBondContact OD1-CB 3.37Å; D212-R214 PolarHBondContact OD1-N 3.16Å; D212-R214 IonicContact OD1-NE 2.73Å; D212-R214 PolarHBondContact OD1-NE 3.29Å; D212-R214 IonicContact OD1-NH2 2.72Å; D212-R214 IonicContact OD2-CZ 2.93Å; D212-R214 IonicContact OD2-NE 3.36Å; D212-R214 PolarHBondContact OD2-NE 3.01Å; D212-R214 VanDerWaalsContact OD2-NE 3.17Å; D212-R214 IonicContact OD2-NH2 2.76Å; D212-R214 PolarHBondContact OD2-NH2 3.38Å; D212-H215 PolarHBondContact O-N 3.43Å; D212-H215 VanDerWaalsContact O-N 3.11Å; D212-V216 WeakPolarHBondContact O-CG2 3.37Å; D212-V216 PolarHBondContact O-N 3.04Å
213A93.6Very high88.6Confident17 Ų1791.5 Ų91.514%0.1450%0.497CS..Hα-helixtrans-53.7-32.2176.600000113.7V135 L138 F217V135-A213 HydrophobicContact CG1-CB 4.35Å; V135-A213 HydrophobicContact CG2-CB 4.09Å; L138-A213 HydrophobicContact CD2-CB 3.99Å; A213-F217 HydrophobicContact CB-CD2 3.98Å; A213-F217 HydrophobicContact CB-CE2 4.15Å; A213-F217 WeakPolarHBondContact O-CB 3.33Å; A213-F217 VanDerWaalsContact O-CD2 3.26Å; A213-F217 WeakPolarHBondContact O-CD2 3.44Å; A213-F217 PolarHBondContact O-N 3.49Å
214R92Very high87.4Confident193 Ų19394.2 Ų94.273%0.72850%0.504SS*.Hα-helixtrans-68.9-34.4-179.4-64.7172.8-67-1792.7112.5D212 G218D212-R214 PolarHBondContact O-N 3.46Å; D212-R214 VanDerWaalsContact O-N 3.15Å; D212-R214 WeakPolarHBondContact OD1-CB 3.37Å; D212-R214 PolarHBondContact OD1-N 3.16Å; D212-R214 IonicContact OD1-NE 2.73Å; D212-R214 PolarHBondContact OD1-NE 3.29Å; D212-R214 IonicContact OD1-NH2 2.72Å; D212-R214 IonicContact OD2-CZ 2.93Å; D212-R214 IonicContact OD2-NE 3.36Å; D212-R214 PolarHBondContact OD2-NE 3.01Å; D212-R214 VanDerWaalsContact OD2-NE 3.17Å; D212-R214 IonicContact OD2-NH2 2.76Å; D212-R214 PolarHBondContact OD2-NH2 3.38Å; R214-G218 PolarHBondContact O-N 3.1Å
215H92.5Very high86.4Confident124 Ų12494.5 Ų94.557%0.57449%0.489SS*.Hα-helixtrans-85.3-41.3178.1-167.267.2000111.4D212 F217 G218D212-H215 PolarHBondContact O-N 3.43Å; D212-H215 VanDerWaalsContact O-N 3.11Å; H215-F217 PolarHBondContact O-N 2.8Å; H215-G218 PolarHBondContact O-N 3.32Å
216V94Very high85.4Confident15 Ų1589.5 Ų89.59%0.09147%0.47CS..Hα-helixtrans-65.8-38179.4172.90000112.6L138 P166 V170 F210 D212L138-V216 HydrophobicContact CD1-CG1 4.42Å; L138-V216 HydrophobicContact CD1-CG2 4.37Å; L138-V216 HydrophobicContact CD2-CB 4.05Å; L138-V216 HydrophobicContact CD2-CG1 4.28Å; L138-V216 HydrophobicContact CD2-CG2 4.08Å; P166-V216 WeakPolarHBondContact CB-O 3.31Å; V170-V216 HydrophobicContact CG2-CB 4.35Å; V170-V216 HydrophobicContact CG2-CG1 3.64Å; V170-V216 HydrophobicContact CG2-CG2 3.84Å; F210-V216 WeakPolarHBondContact O-CG2 3.42Å; D212-V216 WeakPolarHBondContact O-CG2 3.37Å; D212-V216 PolarHBondContact O-N 3.04Å
217F94.1Very high84.4Confident16 Ų1690.8 Ų90.87%0.0749%0.488CS..THydrogen-bonded Turntrans-104.815.9179.4-51.7-55.1000113.2Y131 A134 V135 L138 D163 P166 L167 A213 H215Y131-F217 HydrophobicContact CE2-CB 3.9Å; Y131-F217 AromaticContact CE2-CD2 3.98Å; Y131-F217 HydrophobicContact CE2-CD2 3.98Å; Y131-F217 HydrophobicContact CE2-CG 4.17Å; A134-F217 HydrophobicContact CB-CE1 4.12Å; A134-F217 HydrophobicContact CB-CE2 4.35Å; A134-F217 HydrophobicContact CB-CZ 3.81Å; V135-F217 HydrophobicContact CG2-CD2 4.19Å; V135-F217 HydrophobicContact CG2-CE2 3.97Å; L138-F217 HydrophobicContact CB-CE2 4.3Å; L138-F217 HydrophobicContact CB-CZ 4.27Å; L138-F217 HydrophobicContact CD2-CE2 3.92Å; L138-F217 HydrophobicContact CD2-CZ 4.31Å; D163-F217 HydrophobicContact CB-CD1 3.66Å; D163-F217 HydrophobicContact CB-CE1 3.8Å; D163-F217 HydrophobicContact CB-CG 4.42Å; P166-F217 HydrophobicContact CB-CD1 4.4Å; L167-F217 HydrophobicContact CB-CE1 4.13Å; A213-F217 HydrophobicContact CB-CD2 3.98Å; A213-F217 HydrophobicContact CB-CE2 4.15Å; A213-F217 WeakPolarHBondContact O-CB 3.33Å; A213-F217 VanDerWaalsContact O-CD2 3.26Å; A213-F217 WeakPolarHBondContact O-CD2 3.44Å; A213-F217 PolarHBondContact O-N 3.49Å; H215-F217 PolarHBondContact O-N 2.8Å
218G87.9Confident83.2Confident36 Ų3690 Ų9037%0.37149%0.491SS..  trans-60.7140.5171.600000110.8R214 H215R214-G218 PolarHBondContact O-N 3.1Å; H215-G218 PolarHBondContact O-N 3.32Å
219E83Confident82.1Confident147 Ų14786.4 Ų86.469%0.68747%0.466SS*.  trans-72.2133176.1-58.6-165.6-17600108.9R162R162-E219 IonicContact CZ-OE1 3.84Å; R162-E219 IonicContact NH1-OE1 3.69Å; R162-E219 PolarHBondContact NH1-OE1 3Å; R162-E219 IonicContact NH2-OE1 2.73Å; R162-E219 PolarHBondContact NH2-OE1 3.15Å
220V79.3Confident81.1Confident135 Ų13582.2 Ų82.282%0.81845%0.45SS*.  trans-100.6115.8-179.8178.80000107.8A222V220-A222 PolarHBondContact O-N 3.42Å
221D70.1Confident80Confident150 Ų15081.5 Ų81.580%0.80245%0.452SS*.  trans-63.592.7177.4-67.9-43000111.2
222A69.8Low78.7Confident78 Ų7881.5 Ų81.565%0.64546%0.456SS*.  trans-69.3126.9168.600000108.5V220 K224V220-A222 PolarHBondContact O-N 3.42Å; A222-K224 PolarHBondContact O-N 2.93Å; A222-K224 VanDerWaalsContact O-N 3.12Å
223P68.4Low77.7Confident122 Ų12280.6 Ų80.679%0.79245%0.449SS*.  trans-57.6123.1179.722.8-33.1000109.9D225P223-D225 PolarHBondContact O-N 3.09Å
224K68.6Low76.7Confident109 Ų10982 Ų8247%0.47445%0.454SS..  trans-56.9113.3-176.4-67.5167.8-175.4167.80109.1A222 R226 L229 D246A222-K224 PolarHBondContact O-N 2.93Å; A222-K224 VanDerWaalsContact O-N 3.12Å; K224-R226 PolarHBondContact O-N 3.11Å; K224-L229 HydrophobicContact CB-CD1 4.2Å; K224-L229 HydrophobicContact CB-CD2 4.37Å; K224-L229 HydrophobicContact CB-CG 4.19Å; K224-D246 IonicContact NZ-OD1 3.93Å; K224-D246 PolarHBondContact NZ-OD1 3.35Å; K224-D246 IonicContact NZ-OD2 3.2Å; K224-D246 PolarHBondContact NZ-OD2 3.1Å
225D71.1Confident75.5Confident124 Ų12479 Ų7966%0.66345%0.447SS*.  trans-45.2124.2-178.5-94.9-23.1000110.8P223 A227 A228 L229P223-D225 PolarHBondContact O-N 3.09Å; D225-A227 PolarHBondContact O-N 3.47Å; D225-A228 HydrophobicContact CB-CB 4.08Å; D225-A228 WeakPolarHBondContact O-CA 3.4Å; D225-A228 VanDerWaalsContact O-CB 3.31Å; D225-A228 WeakPolarHBondContact O-CB 3.49Å; D225-A228 PolarHBondContact O-N 2.95Å; D225-L229 PolarHBondContact O-N 3.34Å
226R73.7Confident74.1Confident124 Ų12481.3 Ų81.347%0.46846%0.458SS..Hα-helixtrans-47.4-40176175.8178.1166.9-177.93.8112.1K224 A228 L229 V230 D265K224-R226 PolarHBondContact O-N 3.11Å; R226-A228 VanDerWaalsContact C-N 3.34Å; R226-A228 PolarHBondContact O-N 3.04Å; R226-L229 PolarHBondContact O-N 3.23Å; R226-V230 HydrophobicContact CG-CG2 4.15Å; R226-V230 VanDerWaalsContact O-CB 3.26Å; R226-V230 WeakPolarHBondContact O-CB 3.42Å; R226-V230 WeakPolarHBondContact O-CG2 3.29Å; R226-V230 PolarHBondContact O-N 2.81Å; R226-D265 IonicContact CZ-OD1 3.43Å; R226-D265 IonicContact CZ-OD2 2.78Å; R226-D265 IonicContact NE-OD1 3.4Å; R226-D265 IonicContact NE-OD2 3.99Å; R226-D265 IonicContact NH1-OD1 2.75Å; R226-D265 PolarHBondContact NH1-OD1 3.35Å; R226-D265 IonicContact NH1-OD2 2.62Å; R226-D265 PolarHBondContact NH1-OD2 3.21Å; R226-D265 IonicContact NH2-OD1 3.99Å; R226-D265 PolarHBondContact NH2-OD1 3.03Å; R226-D265 IonicContact NH2-OD2 3.19Å
227A71Confident72.3Confident73 Ų7385.1 Ų85.160%0.60349%0.485SS*.Hα-helixtrans-64.1-33.4176.700000113.6D225 S231D225-A227 PolarHBondContact O-N 3.47Å; A227-S231 WeakPolarHBondContact O-CB 3.36Å; A227-S231 PolarHBondContact O-N 2.86Å; A227-S231 PolarHBondContact O-OG 2.78Å
228A69.1Low70.6Confident53 Ų5395.7 Ų95.744%0.43852%0.524SS..Hα-helixtrans-70.5-50.9176.200000110.9D225 R226 S231 S232D225-A228 HydrophobicContact CB-CB 4.08Å; D225-A228 WeakPolarHBondContact O-CA 3.4Å; D225-A228 VanDerWaalsContact O-CB 3.31Å; D225-A228 WeakPolarHBondContact O-CB 3.49Å; D225-A228 PolarHBondContact O-N 2.95Å; R226-A228 VanDerWaalsContact C-N 3.34Å; R226-A228 PolarHBondContact O-N 3.04Å; A228-S231 PolarHBondContact O-N 3.41Å; A228-S231 PolarHBondContact O-OG 3.13Å; A228-S232 PolarHBondContact O-N 3.43Å; A228-S232 PolarHBondContact O-OG 2.71Å
229L70.1Confident69.4Low25 Ų25104.2 Ų104.213%0.13155%0.551CS.*Hα-helixtrans-52.8-61.1175.4-70.9169.9000110.7K224 D225 R226 S231 S232 F233 E268K224-L229 HydrophobicContact CB-CD1 4.2Å; K224-L229 HydrophobicContact CB-CD2 4.37Å; K224-L229 HydrophobicContact CB-CG 4.19Å; D225-L229 PolarHBondContact O-N 3.34Å; R226-L229 PolarHBondContact O-N 3.23Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.18Å; L229-S232 PolarHBondContact O-N 3.19Å; L229-S232 PolarHBondContact O-OG 3.24Å; L229-F233 PolarHBondContact O-N 3.17Å; L229-E268 HydrophobicContact CD1-CG 4.21Å
230V72.7Confident68.5Low28 Ų28104.1 Ų104.117%0.1755%0.548CS..Hα-helixtrans-57.2-42.5179.3172.20000111.9R226 S232 F233 L234 L267R226-V230 HydrophobicContact CG-CG2 4.15Å; R226-V230 VanDerWaalsContact O-CB 3.26Å; R226-V230 WeakPolarHBondContact O-CB 3.42Å; R226-V230 WeakPolarHBondContact O-CG2 3.29Å; R226-V230 PolarHBondContact O-N 2.81Å; V230-S232 VanDerWaalsContact C-N 3.28Å; V230-S232 PolarHBondContact O-N 3.32Å; V230-F233 PolarHBondContact O-N 2.8Å; V230-L234 HydrophobicContact CG1-CD1 3.67Å; V230-L234 WeakPolarHBondContact O-CD1 3.38Å; V230-L234 PolarHBondContact O-N 2.93Å; V230-L267 HydrophobicContact CG1-CD2 3.51Å; V230-L267 HydrophobicContact CG1-CG 4.04Å; V230-L267 HydrophobicContact CG2-CD2 4.18Å; V230-L267 HydrophobicContact CG2-CG 4.03Å
231S71.1Confident68Low44 Ų44106.1 Ų106.131%0.30855%0.546SS..Hα-helixtrans-72.9-20.2-179.981.20000114.1A227 A228 L229 K235A227-S231 WeakPolarHBondContact O-CB 3.36Å; A227-S231 PolarHBondContact O-N 2.86Å; A227-S231 PolarHBondContact O-OG 2.78Å; A228-S231 PolarHBondContact O-N 3.41Å; A228-S231 PolarHBondContact O-OG 3.13Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.18Å; S231-K235 VanDerWaalsContact O-CB 3.26Å; S231-K235 WeakPolarHBondContact O-CB 3.43Å; S231-K235 VanDerWaalsContact O-CD 3.28Å; S231-K235 WeakPolarHBondContact O-CD 3.35Å; S231-K235 WeakPolarHBondContact O-CG 3.39Å
232S66.9Low68.1Low44 Ų44104.2 Ų104.231%0.30855%0.551SS.*Hα-helixtrans-78.5-42.1171.367.10000111.5A228 L229 V230 L234 K235 K240A228-S232 PolarHBondContact O-N 3.43Å; A228-S232 PolarHBondContact O-OG 2.71Å; L229-S232 PolarHBondContact O-N 3.19Å; L229-S232 PolarHBondContact O-OG 3.24Å; V230-S232 VanDerWaalsContact C-N 3.28Å; V230-S232 PolarHBondContact O-N 3.32Å; S232-L234 PolarHBondContact O-N 3.05Å; S232-K235 PolarHBondContact O-N 3.45Å; S232-K240 WeakPolarHBondContact OG-CE 3.46Å; S232-K240 PolarHBondContact OG-NZ 2.95Å
233F72.7Confident68.2Low36 Ų36107.7 Ų107.716%0.15855%0.554CS.*Hα-helixtrans-60.8-42.6174.8-171.3-126.8000112.1L229 V230 K235 L267 L270 A271 I300 I308L229-F233 PolarHBondContact O-N 3.17Å; V230-F233 PolarHBondContact O-N 2.8Å; F233-K235 PolarHBondContact O-N 3.21Å; F233-L267 HydrophobicContact CD1-CD1 4.08Å; F233-L267 HydrophobicContact CE1-CD1 4.18Å; F233-L270 HydrophobicContact CE1-CB 4.06Å; F233-L270 HydrophobicContact CZ-CB 4.23Å; F233-A271 HydrophobicContact CB-CB 3.88Å; F233-A271 HydrophobicContact CD1-CB 4.09Å; F233-A271 HydrophobicContact CD2-CB 4.49Å; F233-A271 HydrophobicContact CG-CB 3.92Å; F233-I300 HydrophobicContact CE2-CG2 3.76Å; F233-I300 WeakPolarHBondContact CE2-O 3.17Å; F233-I300 HydrophobicContact CZ-CG2 3.52Å; F233-I308 HydrophobicContact CD1-CD1 3.82Å; F233-I308 HydrophobicContact CE1-CB 4.47Å; F233-I308 HydrophobicContact CE1-CD1 3.36Å; F233-I308 HydrophobicContact CE1-CG1 3.64Å; F233-I308 HydrophobicContact CE1-CG2 3.95Å; F233-I308 HydrophobicContact CE2-CD1 4.3Å; F233-I308 HydrophobicContact CG-CD1 4.45Å; F233-I308 HydrophobicContact CZ-CD1 3.62Å; F233-I308 HydrophobicContact CZ-CG1 3.78Å
234L73.3Confident68.8Low45 Ų45105.2 Ų105.224%0.23655%0.55CS.*THydrogen-bonded Turntrans-87.516.9177-73.695.2000115.4V230 S232 L267 K305 I308V230-L234 HydrophobicContact CG1-CD1 3.67Å; V230-L234 WeakPolarHBondContact O-CD1 3.38Å; V230-L234 PolarHBondContact O-N 2.93Å; S232-L234 PolarHBondContact O-N 3.05Å; L234-L267 HydrophobicContact CD1-CD1 4.1Å; L234-L267 HydrophobicContact CD1-CD2 4.16Å; L234-L267 HydrophobicContact CD1-CG 4.42Å; L234-K305 HydrophobicContact CB-CG 4.37Å; L234-K305 HydrophobicContact CD2-CG 4.3Å; L234-K305 WeakPolarHBondContact O-CE 3.43Å; L234-I308 HydrophobicContact CG-CD1 4.48Å
235K66.4Low69.4Low132 Ų132108.6 Ų108.657%0.57456%0.562SS**  trans-134.6106.9178.9-73.7178.9-170.1157.40114S231 S232 F233 S237S231-K235 VanDerWaalsContact O-CB 3.26Å; S231-K235 WeakPolarHBondContact O-CB 3.43Å; S231-K235 VanDerWaalsContact O-CD 3.28Å; S231-K235 WeakPolarHBondContact O-CD 3.35Å; S231-K235 WeakPolarHBondContact O-CG 3.39Å; S232-K235 PolarHBondContact O-N 3.45Å; F233-K235 PolarHBondContact O-N 3.21Å; K235-S237 PolarHBondContact O-N 3.24Å
236E62.5Low69.9Low172 Ų172106.6 Ų106.680%0.80455%0.551SS**SBendtrans-56.7-8.6173.6-64.6148.5112.400116.1K305E236-K305 IonicContact OE2-NZ 2.74Å; E236-K305 PolarHBondContact OE2-NZ 3.08Å
237S55.5Low70.1Confident94 Ų94110.6 Ų110.666%0.65758%0.575SS**SBendtrans-146.888.3-170.5710000115.5K235K235-S237 PolarHBondContact O-N 3.24Å
238R59Low70.7Confident238 Ų238111 Ų11190%0.89859%0.586SS**  176.1126128.9-95164-165.6-149.80.7108.2K240R238-K240 PolarHBondContact O-N 3.45Å
239K63.2Low71.3Confident216 Ų216111 Ų11194%0.93958%0.579SS**PPolyproline II helixtrans-52.1130.1171-65.3-170.4177.6-171.20108.7
240K63.8Low71.9Confident145 Ų145115.1 Ų115.163%0.6361%0.605SS**PPolyproline II helixtrans-59.5164.4173.3-66.5178.8-179.1173.50108.9S232 R238S232-K240 WeakPolarHBondContact OG-CE 3.46Å; S232-K240 PolarHBondContact OG-NZ 2.95Å; R238-K240 PolarHBondContact O-N 3.45Å
241K69.7Low72.4Confident177 Ų177117.9 Ų117.977%0.7762%0.618SS**PPolyproline II helixtrans-60.7143.8156.6-70-176.5177.3-177.30107.2E243K241-E243 VanDerWaalsContact C-N 3.33Å; K241-E243 PolarHBondContact O-N 3.47Å
242A71.8Confident73.3Confident110 Ų110121 Ų12191%0.90962%0.624SS**  trans-68.299.6168.100000107.5
243E71.6Confident74.5Confident150 Ų150122.7 Ų122.770%0.70163%0.627SS**PPolyproline II helixtrans-91.1157.9161-73.6158-164.700106.7K241K241-E243 VanDerWaalsContact C-N 3.33Å; K241-E243 PolarHBondContact O-N 3.47Å
244G80Confident75.4Confident70 Ų70125.3 Ų125.372%0.72264%0.64SS**PPolyproline II helixtrans-62.8166.6178.300000112.5
245Y83.1Confident76.3Confident181 Ų181124.1 Ų124.171%0.7163%0.633SS**PPolyproline II helixtrans-81152.6166.5-55.5-65.2000109.7L251Y245-L251 HydrophobicContact CD1-CD2 3.25Å; Y245-L251 HydrophobicContact CE1-CD1 4.2Å; Y245-L251 HydrophobicContact CE1-CD2 3.65Å; Y245-L251 HydrophobicContact CG-CD2 3.72Å
246D80.3Confident77.6Confident82 Ų82120 Ų12044%0.43962%0.621SS.*PPolyproline II helixtrans-68.7141.8178.1-60.5-14.3000108.7K224 G248 D249K224-D246 IonicContact NZ-OD1 3.93Å; K224-D246 PolarHBondContact NZ-OD1 3.35Å; K224-D246 IonicContact NZ-OD2 3.2Å; K224-D246 PolarHBondContact NZ-OD2 3.1Å; D246-G248 PolarHBondContact O-N 2.88Å; D246-G248 VanDerWaalsContact O-N 3.15Å; D246-D249 HydrophobicContact CB-CB 4.24Å; D246-D249 VanDerWaalsContact O-CB 3.26Å; D246-D249 WeakPolarHBondContact O-CB 3.46Å; D246-D249 PolarHBondContact O-N 3.14Å
247E78.9Confident79.1Confident208 Ų208111.9 Ų111.997%0.97258%0.582SS**THydrogen-bonded Turntrans-61.8119.5-170.5-67.9-168164.700111.8
248G81.9Confident80.8Confident81 Ų81108.7 Ų108.784%0.83556%0.56SS**THydrogen-bonded Turntrans83.45-177.400000115.5D246D246-G248 PolarHBondContact O-N 2.88Å; D246-G248 VanDerWaalsContact O-N 3.15Å
249D82.1Confident82.4Confident53 Ų53103.8 Ų103.828%0.28355%0.545SS..  trans-68.8131.1177.1-1713000112.3D246 L251 H253D246-D249 HydrophobicContact CB-CB 4.24Å; D246-D249 VanDerWaalsContact O-CB 3.26Å; D246-D249 WeakPolarHBondContact O-CB 3.46Å; D246-D249 PolarHBondContact O-N 3.14Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact OD1-N 3.25Å; D249-H253 IonicContact OD1-CD2 2.55Å; D249-H253 IonicContact OD1-CE1 3.21Å; D249-H253 PolarHBondContact OD1-CE1 2.85Å; D249-H253 IonicContact OD1-NE2 3.7Å; D249-H253 PolarHBondContact OD1-NE2 2.8Å; D249-H253 IonicContact OD2-NE2 2.66Å; D249-H253 PolarHBondContact OD2-NE2 3.16Å
250T82.6Confident83.8Confident112 Ų11293.5 Ų93.569%0.68750%0.501SS*.  trans-84.4-0.6175.155.30000113.5Y252T250-Y252 PolarHBondContact O-N 2.92Å; T250-Y252 PolarHBondContact OG1-O 2.97Å
251L84.6Confident85.2Confident85 Ų8587.2 Ų87.245%0.44547%0.474SS..SBendtrans66.4-8.3-179.8-47.6178.3000115.8Y245 D249 N274Y245-L251 HydrophobicContact CD1-CD2 3.25Å; Y245-L251 HydrophobicContact CE1-CD1 4.2Å; Y245-L251 HydrophobicContact CE1-CD2 3.65Å; Y245-L251 HydrophobicContact CG-CD2 3.72Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact OD1-N 3.25Å; L251-N274 PolarHBondContact O-ND2 3.48Å
252Y90Very high86.1Confident110 Ų11086.4 Ų86.443%0.43147%0.473SS..  trans-124.6111.1-178.3178.7-95.9000109.8T250 E254 N274 K275T250-Y252 PolarHBondContact O-N 2.92Å; T250-Y252 PolarHBondContact OG1-O 2.97Å; Y252-E254 HydrophobicContact CD1-CG 4.19Å; Y252-E254 HydrophobicContact CE1-CG 3.35Å; Y252-E254 WeakPolarHBondContact CE1-OE1 3.41Å; Y252-E254 PolarHBondContact OH-OE1 3.49Å; Y252-N274 HydrophobicContact CD2-CB 3.61Å; Y252-N274 HydrophobicContact CE2-CB 3.65Å; Y252-N274 HydrophobicContact CG-CB 4.49Å; Y252-K275 WeakPolarHBondContact OH-CD 3.48Å
253H90.8Very high87Confident80 Ų8082.3 Ų82.337%0.3744%0.437SS..  trans-113.5123.9-174-66.8-75000111.1D249 K272 N274 K275D249-H253 IonicContact OD1-CD2 2.55Å; D249-H253 IonicContact OD1-CE1 3.21Å; D249-H253 PolarHBondContact OD1-CE1 2.85Å; D249-H253 IonicContact OD1-NE2 3.7Å; D249-H253 PolarHBondContact OD1-NE2 2.8Å; D249-H253 IonicContact OD2-NE2 2.66Å; D249-H253 PolarHBondContact OD2-NE2 3.16Å; H253-K272 WeakPolarHBondContact CB-O 3.3Å; H253-N274 PolarHBondContact N-OD1 3.09Å; H253-N274 PolarHBondContact O-N 2.89Å; H253-K275 PolarHBondContact O-N 3.07Å
254E93.1Very high87.8Confident90 Ų9080.5 Ų80.542%0.42144%0.442SS..EExtended strand (participates in β ladder)trans-102.4134.2172.1-57.7-165.5131.400110.5Y252 K275 I277Y252-E254 HydrophobicContact CD1-CG 4.19Å; Y252-E254 HydrophobicContact CE1-CG 3.35Å; Y252-E254 WeakPolarHBondContact CE1-OE1 3.41Å; Y252-E254 PolarHBondContact OH-OE1 3.49Å; E254-K275 WeakPolarHBondContact CA-O 3.37Å; E254-K275 HydrophobicContact CG-CB 4.49Å; E254-K275 WeakPolarHBondContact OE1-CD 3.27Å; E254-K275 IonicContact OE1-NZ 2.71Å; E254-K275 PolarHBondContact OE1-NZ 3.37Å; E254-I277 HydrophobicContact CB-CD1 3.84Å; E254-I277 HydrophobicContact CB-CG1 4.19Å
255L91.9Very high88.3Confident20 Ų2079.6 Ų79.611%0.10542%0.42CS..EExtended strand (participates in β ladder)trans-117.4118.4-176.5176.766.9000110.6L257 K259 F260 A269 A273 K275 V276 I277L255-L257 PolarHBondContact O-N 3.07Å; L255-K259 HydrophobicContact CD1-CB 4.1Å; L255-K259 HydrophobicContact CD1-CD 3.91Å; L255-K259 HydrophobicContact CD1-CG 3.96Å; L255-F260 HydrophobicContact CD2-CB 3.96Å; L255-F260 HydrophobicContact CD2-CD2 4.4Å; L255-F260 HydrophobicContact CG-CB 4.4Å; L255-A269 HydrophobicContact CD2-CB 3.83Å; L255-A273 HydrophobicContact CB-CB 3.76Å; L255-A273 HydrophobicContact CD2-CB 4.24Å; L255-K275 PolarHBondContact N-O 2.84Å; L255-V276 HydrophobicContact CB-CG2 3.92Å; L255-V276 HydrophobicContact CD2-CG2 3.98Å; L255-V276 HydrophobicContact CG-CG2 4.17Å; L255-V276 CarbonylContact O-C 3.55Å; L255-V276 WeakPolarHBondContact O-CA 3.46Å; L255-I277 PolarHBondContact O-N 3.1Å
256P94.2Very high88.6Confident47 Ų4771.8 Ų71.831%0.30539%0.392SS..EExtended strand (participates in β ladder)trans-59137.6171.9-26.135.6000111.9S258 K259 F260 D279P256-S258 VanDerWaalsContact C-N 3.29Å; P256-S258 WeakPolarHBondContact CB-OG 3.36Å; P256-S258 PolarHBondContact O-N 3.05Å; P256-K259 HydrophobicContact CB-CB 4.39Å; P256-K259 WeakPolarHBondContact O-CB 3.18Å; P256-K259 PolarHBondContact O-N 3.46Å; P256-F260 PolarHBondContact O-N 3.17Å; P256-F260 VanDerWaalsContact O-N 3.11Å; P256-D279 HydrophobicContact CB-CB 4.34Å
257L92.8Very high89.1Confident0 Ų069.5 Ų69.50%038%0.379CS..Hα-helixtrans-62.3-37-177.6178.465000112.3L255 K259 F260 L261 V276 I277 F278 I283 F297 W314L255-L257 PolarHBondContact O-N 3.07Å; L257-K259 PolarHBondContact O-N 3.13Å; L257-F260 HydrophobicContact CD1-CD1 3.85Å; L257-F260 WeakPolarHBondContact O-CB 3.49Å; L257-F260 PolarHBondContact O-N 3.11Å; L257-F260 VanDerWaalsContact O-N 3.11Å; L257-L261 HydrophobicContact CD1-CG 4.3Å; L257-L261 HydrophobicContact CG-CD1 4.17Å; L257-L261 HydrophobicContact CG-CG 4.35Å; L257-L261 WeakPolarHBondContact O-CG 3.5Å; L257-L261 PolarHBondContact O-N 3.07Å; L257-V276 HydrophobicContact CB-CG1 3.96Å; L257-V276 HydrophobicContact CD1-CG1 3.88Å; L257-I277 VanDerWaalsContact CB-O 3.23Å; L257-I277 WeakPolarHBondContact CB-O 3.38Å; L257-I277 PolarHBondContact N-O 3.22Å; L257-F278 HydrophobicContact CD2-CD1 3.59Å; L257-F278 HydrophobicContact CD2-CE1 3.89Å; L257-F278 HydrophobicContact CD2-CG 4.43Å; L257-I283 HydrophobicContact CD2-CB 4.39Å; L257-I283 HydrophobicContact CD2-CG2 3.94Å; L257-F297 HydrophobicContact CD1-CE2 4.38Å; L257-F297 HydrophobicContact CD1-CZ 4.36Å; L257-W314 HydrophobicContact CD1-CH2 3.65Å; L257-W314 HydrophobicContact CD1-CZ3 3.92Å; L257-W314 HydrophobicContact CD2-CH2 4.01Å; L257-W314 HydrophobicContact CG-CH2 4.39Å
258S91.3Very high89.5Confident28 Ų2861.8 Ų61.820%0.19634%0.343CS..Hα-helixtrans-46.5-57.9169.642.50000111.2P256 F260 L261 E262 D279P256-S258 VanDerWaalsContact C-N 3.29Å; P256-S258 WeakPolarHBondContact CB-OG 3.36Å; P256-S258 PolarHBondContact O-N 3.05Å; S258-F260 VanDerWaalsContact C-N 3.31Å; S258-F260 PolarHBondContact O-N 3.18Å; S258-L261 PolarHBondContact O-N 2.88Å; S258-L261 VanDerWaalsContact O-N 3.07Å; S258-E262 WeakPolarHBondContact O-CG 3.48Å; S258-E262 PolarHBondContact O-N 3.1Å; S258-D279 PolarHBondContact OG-OD2 3.17Å
259K92.7Very high89.8Confident134 Ų13458.9 Ų58.958%0.58331%0.312SS*.Hα-helixtrans-61.4-32.2177.5-169.1171.3-179.31750113.8L255 P256 L257 S263L255-K259 HydrophobicContact CD1-CB 4.1Å; L255-K259 HydrophobicContact CD1-CD 3.91Å; L255-K259 HydrophobicContact CD1-CG 3.96Å; P256-K259 HydrophobicContact CB-CB 4.39Å; P256-K259 WeakPolarHBondContact O-CB 3.18Å; P256-K259 PolarHBondContact O-N 3.46Å; L257-K259 PolarHBondContact O-N 3.13Å; K259-S263 WeakPolarHBondContact O-CB 3.49Å; K259-S263 PolarHBondContact O-N 3.36Å; K259-S263 VanDerWaalsContact O-N 3.12Å
260F93.5Very high90.2Very high0 Ų056.4 Ų56.40%030%0.298CS..Hα-helixtrans-69.2-41.2172.5172.2-112.9000112.4L255 P256 L257 S258 S263 P266 A269 L270 F297 W314 R315L255-F260 HydrophobicContact CD2-CB 3.96Å; L255-F260 HydrophobicContact CD2-CD2 4.4Å; L255-F260 HydrophobicContact CG-CB 4.4Å; P256-F260 PolarHBondContact O-N 3.17Å; P256-F260 VanDerWaalsContact O-N 3.11Å; L257-F260 HydrophobicContact CD1-CD1 3.85Å; L257-F260 WeakPolarHBondContact O-CB 3.49Å; L257-F260 PolarHBondContact O-N 3.11Å; L257-F260 VanDerWaalsContact O-N 3.11Å; S258-F260 VanDerWaalsContact C-N 3.31Å; S258-F260 PolarHBondContact O-N 3.18Å; F260-S263 PolarHBondContact O-N 3.2Å; F260-S263 PolarHBondContact O-OG 3.08Å; F260-P266 HydrophobicContact CD2-CB 4.16Å; F260-P266 HydrophobicContact CE2-CB 3.47Å; F260-P266 VanDerWaalsContact CE2-CB 3.47Å; F260-P266 HydrophobicContact CZ-CB 4.1Å; F260-A269 HydrophobicContact CD2-CB 4.41Å; F260-L270 HydrophobicContact CD2-CD2 4.12Å; F260-L270 HydrophobicContact CD2-CG 4.09Å; F260-L270 HydrophobicContact CE2-CD1 3.67Å; F260-L270 HydrophobicContact CE2-CD2 3.79Å; F260-L270 HydrophobicContact CE2-CG 3.49Å; F260-L270 VanDerWaalsContact CE2-CG 3.49Å; F260-L270 HydrophobicContact CZ-CD1 3.88Å; F260-L270 HydrophobicContact CZ-CD2 4.21Å; F260-L270 HydrophobicContact CZ-CG 4.12Å; F260-F297 HydrophobicContact CD1-CE1 4.35Å; F260-F297 HydrophobicContact CD1-CZ 4.2Å; F260-F297 HydrophobicContact CE1-CE1 4.05Å; F260-F297 AromaticContact CE1-CZ 3.79Å; F260-F297 HydrophobicContact CE1-CZ 3.79Å; F260-W314 HydrophobicContact CE1-CZ3 4.21Å; F260-R315 HydrophobicContact CE1-CB 4.09Å; F260-R315 HydrophobicContact CE1-CG 4.33Å; F260-R315 HydrophobicContact CZ-CB 4.39Å; F260-R315 PolarHBondContact O-NE 3.02Å; F260-R315 VanDerWaalsContact O-NE 3.1Å
261L91.6Very high90.5Very high13 Ų1352.4 Ų52.47%0.06828%0.276CS..Hα-helixtrans-67.3-40.7177.6-66.5174.9000111.5L257 S258 S263 I283 W314 R315 I318 L319L257-L261 HydrophobicContact CD1-CG 4.3Å; L257-L261 HydrophobicContact CG-CD1 4.17Å; L257-L261 HydrophobicContact CG-CG 4.35Å; L257-L261 WeakPolarHBondContact O-CG 3.5Å; L257-L261 PolarHBondContact O-N 3.07Å; S258-L261 PolarHBondContact O-N 2.88Å; S258-L261 VanDerWaalsContact O-N 3.07Å; L261-S263 PolarHBondContact O-N 3.48Å; L261-I283 HydrophobicContact CD1-CD1 3.33Å; L261-W314 HydrophobicContact CD2-CZ3 4.36Å; L261-R315 HydrophobicContact CD2-CB 4.41Å; L261-R315 HydrophobicContact CD2-CG 3.89Å; L261-R315 PolarHBondContact O-NE 3.34Å; L261-R315 PolarHBondContact O-NH2 3.23Å; L261-I318 HydrophobicContact CD1-CG2 4.33Å; L261-I318 HydrophobicContact CD2-CG2 4.39Å; L261-L319 HydrophobicContact CB-CD2 4.39Å
262E90.4Very high90.7Very high161 Ų16153.7 Ų53.775%0.75228%0.278SS*.Hα-helixtrans-70.9-25.8176.2-69.8168.7-167.200114S258 S264S258-E262 WeakPolarHBondContact O-CG 3.48Å; S258-E262 PolarHBondContact O-N 3.1Å; E262-S264 PolarHBondContact O-N 2.71Å
263S89.8Confident90.7Very high23 Ų2348.7 Ų48.716%0.16126%0.26CS..  trans-58.5131.8-172.868.20000114K259 F260 L261 D265 P266 R315K259-S263 WeakPolarHBondContact O-CB 3.49Å; K259-S263 PolarHBondContact O-N 3.36Å; K259-S263 VanDerWaalsContact O-N 3.12Å; F260-S263 PolarHBondContact O-N 3.2Å; F260-S263 PolarHBondContact O-OG 3.08Å; L261-S263 PolarHBondContact O-N 3.48Å; S263-D265 VanDerWaalsContact C-N 3.31Å; S263-D265 PolarHBondContact O-N 3.43Å; S263-P266 WeakPolarHBondContact OG-CA 3.39Å; S263-R315 PolarHBondContact O-NH2 3.31Å
264S88.9Confident90.8Very high113 Ų11345.9 Ų45.979%0.7925%0.248SC*.SBendtrans-64-38.2173.353.50000112E262 P266E262-S264 PolarHBondContact O-N 2.71Å; S264-P266 VanDerWaalsContact O-CD 3.25Å; S264-P266 WeakPolarHBondContact O-CD 3.38Å
265D89Confident90.8Very high50 Ų5044.6 Ų44.627%0.26724%0.241SC..  trans-116.275.1-179.5-80.3-32.7000112.1R226 S263 L267 E268 A269R226-D265 IonicContact CZ-OD1 3.43Å; R226-D265 IonicContact CZ-OD2 2.78Å; R226-D265 IonicContact NE-OD1 3.4Å; R226-D265 IonicContact NE-OD2 3.99Å; R226-D265 IonicContact NH1-OD1 2.75Å; R226-D265 PolarHBondContact NH1-OD1 3.35Å; R226-D265 IonicContact NH1-OD2 2.62Å; R226-D265 PolarHBondContact NH1-OD2 3.21Å; R226-D265 IonicContact NH2-OD1 3.99Å; R226-D265 PolarHBondContact NH2-OD1 3.03Å; R226-D265 IonicContact NH2-OD2 3.19Å; S263-D265 VanDerWaalsContact C-N 3.31Å; S263-D265 PolarHBondContact O-N 3.43Å; D265-L267 PolarHBondContact O-N 3.05Å; D265-L267 VanDerWaalsContact O-N 3.07Å; D265-E268 HydrophobicContact CB-CB 4.22Å; D265-E268 PolarHBondContact O-N 2.93Å; D265-A269 PolarHBondContact O-N 3.39Å
266P90.6Very high90.9Very high18 Ų1843.7 Ų43.712%0.11724%0.236CC..Hα-helixtrans-59.1-28.2-175.925.2-37.6000113.2F260 S263 S264 A269 L270 L312F260-P266 HydrophobicContact CD2-CB 4.16Å; F260-P266 HydrophobicContact CE2-CB 3.47Å; F260-P266 VanDerWaalsContact CE2-CB 3.47Å; F260-P266 HydrophobicContact CZ-CB 4.1Å; S263-P266 WeakPolarHBondContact OG-CA 3.39Å; S264-P266 VanDerWaalsContact O-CD 3.25Å; S264-P266 WeakPolarHBondContact O-CD 3.38Å; P266-A269 PolarHBondContact O-N 3.36Å; P266-L270 WeakPolarHBondContact O-CG 3.44Å; P266-L270 PolarHBondContact O-N 2.69Å; P266-L312 HydrophobicContact CB-CD2 3.82Å; P266-L312 HydrophobicContact CG-CD2 3.69Å
267L89.5Confident90.9Very high34 Ų3444.7 Ų44.718%0.17824%0.238CC..Hα-helixtrans-75.6-23.6179.5-166.757.4000113.3V230 F233 L234 D265 A271 I308 L312V230-L267 HydrophobicContact CG1-CD2 3.51Å; V230-L267 HydrophobicContact CG1-CG 4.04Å; V230-L267 HydrophobicContact CG2-CD2 4.18Å; V230-L267 HydrophobicContact CG2-CG 4.03Å; F233-L267 HydrophobicContact CD1-CD1 4.08Å; F233-L267 HydrophobicContact CE1-CD1 4.18Å; L234-L267 HydrophobicContact CD1-CD1 4.1Å; L234-L267 HydrophobicContact CD1-CD2 4.16Å; L234-L267 HydrophobicContact CD1-CG 4.42Å; D265-L267 PolarHBondContact O-N 3.05Å; D265-L267 VanDerWaalsContact O-N 3.07Å; L267-A271 VanDerWaalsContact O-CB 3.24Å; L267-A271 WeakPolarHBondContact O-CB 3.35Å; L267-A271 PolarHBondContact O-N 2.88Å; L267-I308 HydrophobicContact CD1-CG2 3.63Å; L267-L312 HydrophobicContact CD1-CD1 4.38Å
268E87.8Confident90.7Very high45 Ų4547.3 Ų47.321%0.2125%0.25CC..Hα-helixtrans-81.7-37.6170.8-171.8176140.400110.9L229 D265 A271 K272L229-E268 HydrophobicContact CD1-CG 4.21Å; D265-E268 HydrophobicContact CB-CB 4.22Å; D265-E268 PolarHBondContact O-N 2.93Å; E268-A271 PolarHBondContact O-N 3.01Å; E268-K272 HydrophobicContact CG-CD 4.34Å; E268-K272 PolarHBondContact O-N 2.88Å; E268-K272 WeakPolarHBondContact OE1-CE 3.29Å; E268-K272 IonicContact OE1-NZ 2.91Å; E268-K272 PolarHBondContact OE1-NZ 2.62Å
269A89.6Confident90.6Very high21 Ų2150.6 Ų50.617%0.17427%0.265CS..Hα-helixtrans-59.2-48.5174.200000111.6L255 F260 D265 P266 K272 A273L255-A269 HydrophobicContact CD2-CB 3.83Å; F260-A269 HydrophobicContact CD2-CB 4.41Å; D265-A269 PolarHBondContact O-N 3.39Å; P266-A269 PolarHBondContact O-N 3.36Å; A269-K272 PolarHBondContact O-N 3.4Å; A269-A273 PolarHBondContact O-N 2.84Å
270L90.6Very high90.3Very high1 Ų145.9 Ų45.91%0.00525%0.247CC..Hα-helixtrans-63.6-40.1173.9-68.2172.3000112.8F233 F260 P266 K272 A273 V276 F297 I300F233-L270 HydrophobicContact CE1-CB 4.06Å; F233-L270 HydrophobicContact CZ-CB 4.23Å; F260-L270 HydrophobicContact CD2-CD2 4.12Å; F260-L270 HydrophobicContact CD2-CG 4.09Å; F260-L270 HydrophobicContact CE2-CD1 3.67Å; F260-L270 HydrophobicContact CE2-CD2 3.79Å; F260-L270 HydrophobicContact CE2-CG 3.49Å; F260-L270 VanDerWaalsContact CE2-CG 3.49Å; F260-L270 HydrophobicContact CZ-CD1 3.88Å; F260-L270 HydrophobicContact CZ-CD2 4.21Å; F260-L270 HydrophobicContact CZ-CG 4.12Å; P266-L270 WeakPolarHBondContact O-CG 3.44Å; P266-L270 PolarHBondContact O-N 2.69Å; L270-K272 PolarHBondContact O-N 2.97Å; L270-A273 PolarHBondContact O-N 3.41Å; L270-V276 HydrophobicContact CD2-CG2 4.31Å; L270-F297 HydrophobicContact CD2-CE1 4.06Å; L270-I300 HydrophobicContact CB-CG2 4.19Å; L270-I300 HydrophobicContact CD2-CD1 3.86Å; L270-I300 HydrophobicContact CD2-CG1 4.47Å; L270-I300 HydrophobicContact CD2-CG2 4.29Å; L270-I300 WeakPolarHBondContact O-CG2 3.41Å
271A88.4Confident89.8Confident27 Ų2750 Ų5022%0.22327%0.274CS..Hα-helixtrans-69.3-11.9-17900000114.3F233 L267 E268F233-A271 HydrophobicContact CB-CB 3.88Å; F233-A271 HydrophobicContact CD1-CB 4.09Å; F233-A271 HydrophobicContact CD2-CB 4.49Å; F233-A271 HydrophobicContact CG-CB 3.92Å; L267-A271 VanDerWaalsContact O-CB 3.24Å; L267-A271 WeakPolarHBondContact O-CB 3.35Å; L267-A271 PolarHBondContact O-N 2.88Å; E268-A271 PolarHBondContact O-N 3.01Å
272K87.2Confident89.4Confident112 Ų11256.4 Ų56.449%0.48730%0.303SS..Hα-helixtrans-99.7-23.7173.7-72.8172173.21700113H253 E268 A269 L270H253-K272 WeakPolarHBondContact CB-O 3.3Å; E268-K272 HydrophobicContact CG-CD 4.34Å; E268-K272 PolarHBondContact O-N 2.88Å; E268-K272 WeakPolarHBondContact OE1-CE 3.29Å; E268-K272 IonicContact OE1-NZ 2.91Å; E268-K272 PolarHBondContact OE1-NZ 2.62Å; A269-K272 PolarHBondContact O-N 3.4Å; L270-K272 PolarHBondContact O-N 2.97Å
273A91.1Very high89.2Confident5 Ų549.2 Ų49.24%0.04127%0.27CS..  trans-89147.2-177.400000112.2L255 A269 L270 I300L255-A273 HydrophobicContact CB-CB 3.76Å; L255-A273 HydrophobicContact CD2-CB 4.24Å; A269-A273 PolarHBondContact O-N 2.84Å; L270-A273 PolarHBondContact O-N 3.41Å; A273-I300 HydrophobicContact CB-CD1 4.05Å
274N92.5Very high88.9Confident22 Ų2249 Ų4912%0.11827%0.27CS..SBendtrans-91.2-38.3167.1-59.157.1000109.9L251 Y252 H253 I300 Q301L251-N274 PolarHBondContact O-ND2 3.48Å; Y252-N274 HydrophobicContact CD2-CB 3.61Å; Y252-N274 HydrophobicContact CE2-CB 3.65Å; Y252-N274 HydrophobicContact CG-CB 4.49Å; H253-N274 PolarHBondContact N-OD1 3.09Å; H253-N274 PolarHBondContact O-N 2.89Å; N274-I300 WeakPolarHBondContact O-CB 3.25Å; N274-I300 PolarHBondContact O-N 3.33Å; N274-Q301 PolarHBondContact ND2-NE2 2.75Å; N274-Q301 VanDerWaalsContact ND2-NE2 3.16Å
275K93.6Very high88.8Confident63 Ų6348.9 Ų48.927%0.27427%0.267SS..EExtended strand (participates in β ladder)trans-141.6146.5-176.9177.6173.9169.3-155.50110.9Y252 H253 E254 L255 F297Y252-K275 WeakPolarHBondContact OH-CD 3.48Å; H253-K275 PolarHBondContact O-N 3.07Å; E254-K275 WeakPolarHBondContact CA-O 3.37Å; E254-K275 HydrophobicContact CG-CB 4.49Å; E254-K275 WeakPolarHBondContact OE1-CD 3.27Å; E254-K275 IonicContact OE1-NZ 2.71Å; E254-K275 PolarHBondContact OE1-NZ 3.37Å; L255-K275 PolarHBondContact N-O 2.84Å; K275-F297 WeakPolarHBondContact CA-O 3.46Å
276V94Very high88.7Confident1 Ų148.7 Ų48.71%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-107.7127.5170.3158.40000109.9L255 L257 L270 F297 I300L255-V276 HydrophobicContact CB-CG2 3.92Å; L255-V276 HydrophobicContact CD2-CG2 3.98Å; L255-V276 HydrophobicContact CG-CG2 4.17Å; L255-V276 CarbonylContact O-C 3.55Å; L255-V276 WeakPolarHBondContact O-CA 3.46Å; L257-V276 HydrophobicContact CB-CG1 3.96Å; L257-V276 HydrophobicContact CD1-CG1 3.88Å; L270-V276 HydrophobicContact CD2-CG2 4.31Å; V276-F297 HydrophobicContact CB-CB 4.02Å; V276-F297 HydrophobicContact CB-CD1 3.56Å; V276-F297 HydrophobicContact CB-CE1 4.24Å; V276-F297 HydrophobicContact CB-CG 3.96Å; V276-F297 HydrophobicContact CG1-CB 4.34Å; V276-F297 HydrophobicContact CG1-CD1 3.83Å; V276-F297 HydrophobicContact CG1-CE1 4.2Å; V276-F297 HydrophobicContact CG1-CG 4.01Å; V276-F297 HydrophobicContact CG2-CD1 3.95Å; V276-F297 HydrophobicContact CG2-CE1 4.28Å; V276-F297 PolarHBondContact N-O 2.72Å; V276-I300 HydrophobicContact CB-CD1 4.09Å; V276-I300 HydrophobicContact CG2-CD1 3.57Å
277I93.2Very high88.5Confident68 Ų6853.4 Ų53.435%0.34930%0.296SS..EExtended strand (participates in β ladder)trans-90.8128.5179.6-58175.6000109.3E254 L255 L257 D279E254-I277 HydrophobicContact CB-CD1 3.84Å; E254-I277 HydrophobicContact CB-CG1 4.19Å; L255-I277 PolarHBondContact O-N 3.1Å; L257-I277 VanDerWaalsContact CB-O 3.23Å; L257-I277 WeakPolarHBondContact CB-O 3.38Å; L257-I277 PolarHBondContact N-O 3.22Å; I277-D279 VanDerWaalsContact C-N 3.29Å; I277-D279 PolarHBondContact O-N 3.05Å
278F89.7Confident88.5Confident55 Ų5554.6 Ų54.624%0.24130%0.302CS..  trans-73.382.1171.1-73.6-90.7000111L257 A284 T289 K294 F297L257-F278 HydrophobicContact CD2-CD1 3.59Å; L257-F278 HydrophobicContact CD2-CE1 3.89Å; L257-F278 HydrophobicContact CD2-CG 4.43Å; F278-A284 HydrophobicContact CB-CB 4.29Å; F278-A284 HydrophobicContact CD1-CB 3.88Å; F278-A284 HydrophobicContact CG-CB 4.38Å; F278-T289 HydrophobicContact CE1-CG2 3.85Å; F278-T289 HydrophobicContact CZ-CG2 4.31Å; F278-K294 HydrophobicContact CE1-CG 4.36Å; F278-K294 HydrophobicContact CE2-CB 4.1Å; F278-K294 HydrophobicContact CE2-CG 4.08Å; F278-K294 HydrophobicContact CZ-CB 4.14Å; F278-K294 HydrophobicContact CZ-CG 3.72Å; F278-F297 HydrophobicContact CE1-CD2 4.45Å; F278-F297 HydrophobicContact CE2-CB 4.05Å; F278-F297 HydrophobicContact CE2-CD2 4.13Å; F278-F297 HydrophobicContact CZ-CB 4.43Å; F278-F297 AromaticContact CZ-CD2 3.65Å; F278-F297 HydrophobicContact CZ-CD2 3.65Å; F278-F297 HydrophobicContact CZ-CE2 4.4Å; F278-F297 HydrophobicContact CZ-CG 4.48Å
279D89.1Confident88.6Confident97 Ų9752.9 Ų52.952%0.51930%0.295SS..  trans-71.7-37177.4-171.332.6000112.2P256 S258 I277 P281P256-D279 HydrophobicContact CB-CB 4.34Å; S258-D279 PolarHBondContact OG-OD2 3.17Å; I277-D279 VanDerWaalsContact C-N 3.29Å; I277-D279 PolarHBondContact O-N 3.05Å; D279-P281 WeakPolarHBondContact O-CD 3.48Å
280V86.6Confident88.7Confident34 Ų3455 Ų5521%0.20631%0.306CS..  trans-98109.6-178.1-173.20000110.4E282 I283 A284V280-E282 HydrophobicContact CG1-CB 4.2Å; V280-E282 PolarHBondContact O-N 3.01Å; V280-I283 HydrophobicContact CB-CB 4.47Å; V280-I283 HydrophobicContact CB-CD1 4.12Å; V280-I283 HydrophobicContact CB-CG1 4.25Å; V280-I283 HydrophobicContact CG1-CB 4.45Å; V280-I283 HydrophobicContact CG1-CD1 3.98Å; V280-I283 HydrophobicContact CG1-CG1 3.86Å; V280-I283 PolarHBondContact O-N 3.42Å; V280-A284 PolarHBondContact O-N 3.4Å
281P83.5Confident88.7Confident88 Ų8858.8 Ų58.857%0.57133%0.332SS*.Hα-helixtrans-69.4-30.9-174.827-34.5000113D279 I283 A284 C285D279-P281 WeakPolarHBondContact O-CD 3.48Å; P281-I283 VanDerWaalsContact C-N 3.33Å; P281-I283 PolarHBondContact O-N 2.82Å; P281-A284 CarbonylContact O-C 3.58Å; P281-A284 WeakPolarHBondContact O-CA 3.48Å; P281-A284 WeakPolarHBondContact O-CB 3.49Å; P281-A284 PolarHBondContact O-N 2.73Å; P281-A284 VanDerWaalsContact O-N 3.11Å; P281-C285 PolarHBondContact O-N 3.05Å
282E83.2Confident88.8Confident146 Ų14662.4 Ų62.468%0.68235%0.347SS*.Hα-helixtrans-55.8-48176.6-62.5164.5-179.100111V280 A284 C285 H286V280-E282 HydrophobicContact CG1-CB 4.2Å; V280-E282 PolarHBondContact O-N 3.01Å; E282-A284 VanDerWaalsContact C-N 3.32Å; E282-A284 PolarHBondContact O-N 3.4Å; E282-C285 PolarHBondContact O-N 3.13Å; E282-H286 PolarHBondContact O-N 3.21Å
283I85.3Confident89.1Confident11 Ų1157.4 Ų57.46%0.05633%0.326CS..Hα-helixtrans-71.6-29179.3-55.6179.3000111.3L257 L261 V280 P281 T289 W314 I318 L322L257-I283 HydrophobicContact CD2-CB 4.39Å; L257-I283 HydrophobicContact CD2-CG2 3.94Å; L261-I283 HydrophobicContact CD1-CD1 3.33Å; V280-I283 HydrophobicContact CB-CB 4.47Å; V280-I283 HydrophobicContact CB-CD1 4.12Å; V280-I283 HydrophobicContact CB-CG1 4.25Å; V280-I283 HydrophobicContact CG1-CB 4.45Å; V280-I283 HydrophobicContact CG1-CD1 3.98Å; V280-I283 HydrophobicContact CG1-CG1 3.86Å; V280-I283 PolarHBondContact O-N 3.42Å; P281-I283 VanDerWaalsContact C-N 3.33Å; P281-I283 PolarHBondContact O-N 2.82Å; I283-T289 VanDerWaalsContact O-CB 3.32Å; I283-T289 WeakPolarHBondContact O-CB 3.36Å; I283-T289 PolarHBondContact O-OG1 3.21Å; I283-W314 HydrophobicContact CG2-CH2 4.15Å; I283-W314 HydrophobicContact CG2-CZ2 3.81Å; I283-I318 HydrophobicContact CD1-CG2 4.2Å; I283-I318 HydrophobicContact CG1-CG2 4.48Å; I283-I318 HydrophobicContact CG2-CD1 4.42Å; I283-I318 HydrophobicContact CG2-CG1 4.49Å; I283-I318 HydrophobicContact CG2-CG2 3.98Å; I283-L322 HydrophobicContact CD1-CD1 4.08Å
284A84Confident89.1Confident18 Ų1861 Ų6115%0.14934%0.34CS..Hα-helixtrans-71.1-29.7173.300000112.7F278 V280 P281 E282 K294F278-A284 HydrophobicContact CB-CB 4.29Å; F278-A284 HydrophobicContact CD1-CB 3.88Å; F278-A284 HydrophobicContact CG-CB 4.38Å; V280-A284 PolarHBondContact O-N 3.4Å; P281-A284 CarbonylContact O-C 3.58Å; P281-A284 WeakPolarHBondContact O-CA 3.48Å; P281-A284 WeakPolarHBondContact O-CB 3.49Å; P281-A284 PolarHBondContact O-N 2.73Å; P281-A284 VanDerWaalsContact O-N 3.11Å; E282-A284 VanDerWaalsContact C-N 3.32Å; E282-A284 PolarHBondContact O-N 3.4Å; A284-K294 WeakPolarHBondContact O-CE 3.45Å; A284-K294 PolarHBondContact O-NZ 3.5Å
285C85.4Confident89Confident110 Ų11065.5 Ų65.574%0.74336%0.361SS*.Hα-helixtrans-90.2-17.6176.3-69.80000113.6P281 E282P281-C285 PolarHBondContact O-N 3.05Å; E282-C285 PolarHBondContact O-N 3.13Å
286H87.1Confident89Confident46 Ų4663.8 Ų63.821%0.21335%0.354CS..SBendtrans-59134.8-177.1-169.6-93000113E282 L288 T289E282-H286 PolarHBondContact O-N 3.21Å; H286-L288 PolarHBondContact ND1-N 2.86Å; H286-L288 PolarHBondContact O-N 3.41Å; H286-T289 WeakPolarHBondContact O-CB 3.32Å; H286-T289 PolarHBondContact O-N 2.68Å
287P88.3Confident89Confident117 Ų11763.8 Ų63.876%0.7635%0.354SS*.THydrogen-bonded Turntrans-62.8-19.6-172.222.8-35.3000115.4T289P287-T289 VanDerWaalsContact C-N 3.27Å; P287-T289 PolarHBondContact O-N 3.48Å
288L88.4Confident88.9Confident60 Ų6065 Ų6531%0.31436%0.361SS..THydrogen-bonded Turntrans-73.5-17.2172.4-64.9177.6000113.4H286 T290 W314 K317 I318 V321H286-L288 PolarHBondContact ND1-N 2.86Å; H286-L288 PolarHBondContact O-N 3.41Å; L288-T290 PolarHBondContact O-N 3.42Å; L288-W314 VanDerWaalsContact O-CD1 3.3Å; L288-K317 HydrophobicContact CD1-CB 3.87Å; L288-K317 HydrophobicContact CD1-CD 4.35Å; L288-K317 HydrophobicContact CD2-CD 4.48Å; L288-I318 HydrophobicContact CB-CD1 4.11Å; L288-I318 HydrophobicContact CD1-CD1 4.38Å; L288-V321 HydrophobicContact CD1-CG2 4.24Å
289T90.5Very high89Confident9 Ų965.8 Ų65.86%0.05537%0.368CS..SBendtrans-90.273.3-178.8-51.80000110F278 I283 H286 P287 I293 K294 W314F278-T289 HydrophobicContact CE1-CG2 3.85Å; F278-T289 HydrophobicContact CZ-CG2 4.31Å; I283-T289 VanDerWaalsContact O-CB 3.32Å; I283-T289 WeakPolarHBondContact O-CB 3.36Å; I283-T289 PolarHBondContact O-OG1 3.21Å; H286-T289 WeakPolarHBondContact O-CB 3.32Å; H286-T289 PolarHBondContact O-N 2.68Å; P287-T289 VanDerWaalsContact C-N 3.27Å; P287-T289 PolarHBondContact O-N 3.48Å; T289-I293 HydrophobicContact CG2-CG2 4.33Å; T289-K294 HydrophobicContact CG2-CG 4.17Å; T289-W314 HydrophobicContact CG2-CZ2 4Å; T289-W314 WeakPolarHBondContact OG1-CZ2 3.37Å; T289-W314 PolarHBondContact OG1-NE1 3.34Å
290T91.2Very high89.1Confident66 Ų6661.2 Ų61.241%0.40534%0.344SS..  trans-59.3159177.962.60000112.6L288 L292 I293 K294L288-T290 PolarHBondContact O-N 3.42Å; T290-L292 VanDerWaalsContact C-N 3.25Å; T290-L292 PolarHBondContact O-N 3.17Å; T290-I293 WeakPolarHBondContact O-CB 3.09Å; T290-I293 PolarHBondContact O-N 2.87Å; T290-I293 WeakPolarHBondContact OG1-CD1 3.26Å; T290-K294 PolarHBondContact O-N 3.36Å
291S90.4Very high89Confident79 Ų7965.4 Ų65.455%0.55236%0.361SS*.Hα-helixtrans-52.9-42.2176.354.10000112.8I293 K294 E295S291-I293 PolarHBondContact O-N 3.38Å; S291-K294 WeakPolarHBondContact O-CA 3.44Å; S291-K294 WeakPolarHBondContact O-CB 3.45Å; S291-K294 PolarHBondContact O-N 3.16Å; S291-E295 PolarHBondContact O-N 2.79Å
292L90.9Very high89.2Confident104 Ų10466.4 Ų66.455%0.54537%0.365SS..Hα-helixtrans-54.7-38.1175.7-64.7173.7000112.8T290 K294 E295 D296T290-L292 VanDerWaalsContact C-N 3.25Å; T290-L292 PolarHBondContact O-N 3.17Å; L292-K294 VanDerWaalsContact C-N 3.33Å; L292-E295 PolarHBondContact O-N 3.37Å; L292-D296 WeakPolarHBondContact O-CB 3.26Å; L292-D296 PolarHBondContact O-N 3.41Å
293I92.6Very high89.5Confident7 Ų760.6 Ų60.64%0.03634%0.339CS..Hα-helixtrans-72.1-31.1178.7-68.6163.7000110.9T289 T290 S291 F297 L311 W314T289-I293 HydrophobicContact CG2-CG2 4.33Å; T290-I293 WeakPolarHBondContact O-CB 3.09Å; T290-I293 PolarHBondContact O-N 2.87Å; T290-I293 WeakPolarHBondContact OG1-CD1 3.26Å; S291-I293 PolarHBondContact O-N 3.38Å; I293-F297 HydrophobicContact CG2-CD2 3.91Å; I293-F297 HydrophobicContact CG2-CE2 3.65Å; I293-F297 WeakPolarHBondContact O-CD2 3.37Å; I293-F297 PolarHBondContact O-N 3.03Å; I293-L311 HydrophobicContact CG2-CD2 3.98Å; I293-W314 HydrophobicContact CD1-CB 3.98Å; I293-W314 HydrophobicContact CD1-CG 3.77Å; I293-W314 HydrophobicContact CG2-CD2 3.96Å; I293-W314 HydrophobicContact CG2-CE3 4.39Å; I293-W314 HydrophobicContact CG2-CG 4.23Å; I293-W314 HydrophobicContact CG2-CZ2 4.37Å
294K91.3Very high89.6Confident80 Ų8061.1 Ų61.135%0.34835%0.347SS..Hα-helixtrans-71.2-38.6173.5-58.1-177.9178.3-178.50111.3F278 A284 T289 T290 S291 L292 N298F278-K294 HydrophobicContact CE1-CG 4.36Å; F278-K294 HydrophobicContact CE2-CB 4.1Å; F278-K294 HydrophobicContact CE2-CG 4.08Å; F278-K294 HydrophobicContact CZ-CB 4.14Å; F278-K294 HydrophobicContact CZ-CG 3.72Å; A284-K294 WeakPolarHBondContact O-CE 3.45Å; A284-K294 PolarHBondContact O-NZ 3.5Å; T289-K294 HydrophobicContact CG2-CG 4.17Å; T290-K294 PolarHBondContact O-N 3.36Å; S291-K294 WeakPolarHBondContact O-CA 3.44Å; S291-K294 WeakPolarHBondContact O-CB 3.45Å; S291-K294 PolarHBondContact O-N 3.16Å; L292-K294 VanDerWaalsContact C-N 3.33Å; K294-N298 PolarHBondContact O-N 3.24Å; K294-N298 PolarHBondContact O-ND2 3.49Å
295E91.8Very high89.7Confident117 Ų11764.7 Ų64.755%0.54736%0.359SS..Hα-helixtrans-65.2-46.9173-70.8163.8-149.400111.4S291 L292 F297 N298S291-E295 PolarHBondContact O-N 2.79Å; L292-E295 PolarHBondContact O-N 3.37Å; E295-F297 PolarHBondContact O-N 2.8Å; E295-N298 WeakPolarHBondContact O-CB 3.39Å; E295-N298 PolarHBondContact O-N 2.97Å
296D92.2Very high89.9Confident27 Ų2761.7 Ų61.714%0.14435%0.347CS..Hα-helixtrans-56-36.5176.8-75.7-20.3000112.3L292 L303 L311L292-D296 WeakPolarHBondContact O-CB 3.26Å; L292-D296 PolarHBondContact O-N 3.41Å; D296-L303 HydrophobicContact CB-CD1 4.4Å; D296-L303 HydrophobicContact CB-CD2 4.05Å; D296-L303 WeakPolarHBondContact O-CD1 3.44Å; D296-L311 HydrophobicContact CB-CD1 4.24Å; D296-L311 HydrophobicContact CB-CD2 3.79Å; D296-L311 HydrophobicContact CB-CG 4.25Å
297F93.4Very high90Very high0 Ų062.6 Ų62.60%035%0.353CS..Hα-helixtrans-80.5-12.8178.6-77.9-51.8000114.7L257 F260 L270 K275 V276 F278 I293 E295 I300 L311 W314L257-F297 HydrophobicContact CD1-CE2 4.38Å; L257-F297 HydrophobicContact CD1-CZ 4.36Å; F260-F297 HydrophobicContact CD1-CE1 4.35Å; F260-F297 HydrophobicContact CD1-CZ 4.2Å; F260-F297 HydrophobicContact CE1-CE1 4.05Å; F260-F297 AromaticContact CE1-CZ 3.79Å; F260-F297 HydrophobicContact CE1-CZ 3.79Å; L270-F297 HydrophobicContact CD2-CE1 4.06Å; K275-F297 WeakPolarHBondContact CA-O 3.46Å; V276-F297 HydrophobicContact CB-CB 4.02Å; V276-F297 HydrophobicContact CB-CD1 3.56Å; V276-F297 HydrophobicContact CB-CE1 4.24Å; V276-F297 HydrophobicContact CB-CG 3.96Å; V276-F297 HydrophobicContact CG1-CB 4.34Å; V276-F297 HydrophobicContact CG1-CD1 3.83Å; V276-F297 HydrophobicContact CG1-CE1 4.2Å; V276-F297 HydrophobicContact CG1-CG 4.01Å; V276-F297 HydrophobicContact CG2-CD1 3.95Å; V276-F297 HydrophobicContact CG2-CE1 4.28Å; V276-F297 PolarHBondContact N-O 2.72Å; F278-F297 HydrophobicContact CE1-CD2 4.45Å; F278-F297 HydrophobicContact CE2-CB 4.05Å; F278-F297 HydrophobicContact CE2-CD2 4.13Å; F278-F297 HydrophobicContact CZ-CB 4.43Å; F278-F297 AromaticContact CZ-CD2 3.65Å; F278-F297 HydrophobicContact CZ-CD2 3.65Å; F278-F297 HydrophobicContact CZ-CE2 4.4Å; F278-F297 HydrophobicContact CZ-CG 4.48Å; I293-F297 HydrophobicContact CG2-CD2 3.91Å; I293-F297 HydrophobicContact CG2-CE2 3.65Å; I293-F297 WeakPolarHBondContact O-CD2 3.37Å; I293-F297 PolarHBondContact O-N 3.03Å; E295-F297 PolarHBondContact O-N 2.8Å; F297-I300 HydrophobicContact CD1-CD1 4.44Å; F297-L311 HydrophobicContact CD1-CD1 4.11Å; F297-L311 HydrophobicContact CD1-CD2 4.37Å; F297-L311 HydrophobicContact CD2-CD2 4.2Å; F297-L311 HydrophobicContact CE1-CD1 3.83Å; F297-L311 HydrophobicContact CE1-CD2 3.99Å; F297-L311 HydrophobicContact CE1-CG 4.38Å; F297-L311 HydrophobicContact CE2-CD2 3.8Å; F297-L311 HydrophobicContact CG-CD2 4.48Å; F297-L311 HydrophobicContact CZ-CB 4.5Å; F297-L311 HydrophobicContact CZ-CD1 4.34Å; F297-L311 HydrophobicContact CZ-CD2 3.69Å; F297-L311 HydrophobicContact CZ-CG 4.4Å; F297-W314 AromaticContact CE2-CE3 3.88Å; F297-W314 HydrophobicContact CE2-CE3 3.88Å; F297-W314 AromaticContact CE2-CH2 3.72Å; F297-W314 HydrophobicContact CE2-CH2 3.72Å; F297-W314 HydrophobicContact CE2-CZ2 4.46Å; F297-W314 AromaticContact CE2-CZ3 3.4Å; F297-W314 HydrophobicContact CE2-CZ3 3.4Å; F297-W314 AromaticContact CZ-CE3 3.92Å; F297-W314 HydrophobicContact CZ-CE3 3.92Å; F297-W314 HydrophobicContact CZ-CH2 4.21Å; F297-W314 AromaticContact CZ-CZ3 3.47Å; F297-W314 HydrophobicContact CZ-CZ3 3.47Å; F297-W314 VanDerWaalsContact CZ-CZ3 3.47Å
298N92.2Very high90.2Very high94 Ų9457.2 Ų57.250%0.50332%0.318SS..Hα-helixtrans-73.4-35.9177.2-76.6-38.6000112.6K294 E295K294-N298 PolarHBondContact O-N 3.24Å; K294-N298 PolarHBondContact O-ND2 3.49Å; E295-N298 WeakPolarHBondContact O-CB 3.39Å; E295-N298 PolarHBondContact O-N 2.97Å
299D91.5Very high90.3Very high72 Ų7260.4 Ų60.439%0.38533%0.329SS..  trans-139.2101.4173.1-174.2-16.4000110.1Q301 V302D299-Q301 VanDerWaalsContact C-N 3.35Å; D299-Q301 PolarHBondContact OD1-N 3.31Å; D299-V302 HydrophobicContact CB-CG2 3.92Å; D299-V302 WeakPolarHBondContact O-CG2 3.45Å; D299-V302 PolarHBondContact OD1-N 2.8Å; D299-V302 WeakPolarHBondContact OD2-CG1 3.36Å
300I91.4Very high90.4Very high0 Ų063.3 Ų63.30%035%0.345CS..SBendtrans-78.9-22.2-177-65.7166.1000111.2F233 L270 A273 N274 V276 F297 L303F233-I300 HydrophobicContact CE2-CG2 3.76Å; F233-I300 WeakPolarHBondContact CE2-O 3.17Å; F233-I300 HydrophobicContact CZ-CG2 3.52Å; L270-I300 HydrophobicContact CB-CG2 4.19Å; L270-I300 HydrophobicContact CD2-CD1 3.86Å; L270-I300 HydrophobicContact CD2-CG1 4.47Å; L270-I300 HydrophobicContact CD2-CG2 4.29Å; L270-I300 WeakPolarHBondContact O-CG2 3.41Å; A273-I300 HydrophobicContact CB-CD1 4.05Å; N274-I300 WeakPolarHBondContact O-CB 3.25Å; N274-I300 PolarHBondContact O-N 3.33Å; V276-I300 HydrophobicContact CB-CD1 4.09Å; V276-I300 HydrophobicContact CG2-CD1 3.57Å; F297-I300 HydrophobicContact CD1-CD1 4.44Å; I300-L303 HydrophobicContact CB-CD1 4.49Å; I300-L303 HydrophobicContact CG2-CD1 4.41Å; I300-L303 WeakPolarHBondContact O-CG 3.48Å; I300-L303 PolarHBondContact O-N 2.87Å
301Q85.5Confident90.5Very high123 Ų12360.2 Ų60.258%0.57533%0.326SS*.THydrogen-bonded Turntrans-80.2-22.3-173-62.8-162.8-2.200113.4N274 D299N274-Q301 PolarHBondContact ND2-NE2 2.75Å; N274-Q301 VanDerWaalsContact ND2-NE2 3.16Å; D299-Q301 VanDerWaalsContact C-N 3.35Å; D299-Q301 PolarHBondContact OD1-N 3.31Å
302V87.5Confident90.6Very high109 Ų10958.6 Ų58.666%0.66131%0.311SS*.THydrogen-bonded Turntrans-82.9-9.6173.9-62.60000113.9D299D299-V302 HydrophobicContact CB-CG2 3.92Å; D299-V302 WeakPolarHBondContact O-CG2 3.45Å; D299-V302 PolarHBondContact OD1-N 2.8Å; D299-V302 WeakPolarHBondContact OD2-CG1 3.36Å
303L88.5Confident90.7Very high23 Ų2360.5 Ų60.512%0.1232%0.315CS..  trans-68.9138.8-172.4-60-177.2000114D296 I300 D307 I308 L311D296-L303 HydrophobicContact CB-CD1 4.4Å; D296-L303 HydrophobicContact CB-CD2 4.05Å; D296-L303 WeakPolarHBondContact O-CD1 3.44Å; I300-L303 HydrophobicContact CB-CD1 4.49Å; I300-L303 HydrophobicContact CG2-CD1 4.41Å; I300-L303 WeakPolarHBondContact O-CG 3.48Å; I300-L303 PolarHBondContact O-N 2.87Å; L303-D307 HydrophobicContact CB-CB 4.36Å; L303-D307 HydrophobicContact CD2-CB 4.18Å; L303-I308 HydrophobicContact CB-CD1 4.45Å; L303-I308 HydrophobicContact CB-CG1 3.95Å; L303-I308 HydrophobicContact CD1-CG1 4.47Å; L303-L311 HydrophobicContact CD1-CD1 3.58Å
304G87.2Confident90.8Very high23 Ų2360.6 Ų60.624%0.23731%0.314CS..  trans-82.4171.9172.600000113.4G306 D307 I308G304-G306 PolarHBondContact O-N 3.04Å; G304-G306 VanDerWaalsContact O-N 3.12Å; G304-D307 WeakPolarHBondContact CA-OD2 3.42Å; G304-D307 PolarHBondContact N-OD2 3.16Å; G304-D307 PolarHBondContact O-N 3.23Å; G304-I308 WeakPolarHBondContact O-CD1 3.5Å; G304-I308 VanDerWaalsContact O-CG1 3.3Å; G304-I308 WeakPolarHBondContact O-CG1 3.33Å; G304-I308 PolarHBondContact O-N 2.97Å; G304-I308 VanDerWaalsContact O-N 3.09Å
305K87.2Confident90.9Very high93 Ų9358 Ų5840%0.40430%0.303SS..THydrogen-bonded Turntrans-62.6-17.9174.4-59.3174.7-171.1123.90113.7L234 E236 K309L234-K305 HydrophobicContact CB-CG 4.37Å; L234-K305 HydrophobicContact CD2-CG 4.3Å; L234-K305 WeakPolarHBondContact O-CE 3.43Å; E236-K305 IonicContact OE2-NZ 2.74Å; E236-K305 PolarHBondContact OE2-NZ 3.08Å; K305-K309 VanDerWaalsContact O-CD 3.26Å; K305-K309 WeakPolarHBondContact O-CD 3.41Å; K305-K309 VanDerWaalsContact O-CG 3.23Å; K305-K309 WeakPolarHBondContact O-CG 3.5Å
306G88.2Confident90.9Very high47 Ų4757.9 Ų57.949%0.48530%0.303SS..THydrogen-bonded Turntrans-75.4-47.317600000110.4G304 K309 N310G304-G306 PolarHBondContact O-N 3.04Å; G304-G306 VanDerWaalsContact O-N 3.12Å; G306-K309 WeakPolarHBondContact O-CB 3.47Å; G306-K309 PolarHBondContact O-N 3.45Å; G306-N310 PolarHBondContact O-N 2.95Å
307D90.9Very high91Very high65 Ų6562.3 Ų62.335%0.34832%0.321SS..Hα-helixtrans-77-43.5-168.6-33.4-57.9000109.4L303 G304 K309 N310 L311L303-D307 HydrophobicContact CB-CB 4.36Å; L303-D307 HydrophobicContact CD2-CB 4.18Å; G304-D307 WeakPolarHBondContact CA-OD2 3.42Å; G304-D307 PolarHBondContact N-OD2 3.16Å; G304-D307 PolarHBondContact O-N 3.23Å; D307-K309 PolarHBondContact O-N 3.27Å; D307-K309 VanDerWaalsContact O-N 3.16Å; D307-N310 CarbonylContact O-C 3.52Å; D307-N310 WeakPolarHBondContact O-CA 3.32Å; D307-N310 VanDerWaalsContact O-CB 3.24Å; D307-N310 WeakPolarHBondContact O-CB 3.4Å; D307-N310 PolarHBondContact O-N 2.93Å; D307-L311 PolarHBondContact O-N 3.39Å
308I91.1Very high90.9Very high3 Ų362.4 Ų62.42%0.01532%0.322CS..Hα-helixtrans-54.7-37.3168.9-61.4160.8000111.7F233 L234 L267 L303 G304 L312F233-I308 HydrophobicContact CD1-CD1 3.82Å; F233-I308 HydrophobicContact CE1-CB 4.47Å; F233-I308 HydrophobicContact CE1-CD1 3.36Å; F233-I308 HydrophobicContact CE1-CG1 3.64Å; F233-I308 HydrophobicContact CE1-CG2 3.95Å; F233-I308 HydrophobicContact CE2-CD1 4.3Å; F233-I308 HydrophobicContact CG-CD1 4.45Å; F233-I308 HydrophobicContact CZ-CD1 3.62Å; F233-I308 HydrophobicContact CZ-CG1 3.78Å; L234-I308 HydrophobicContact CG-CD1 4.48Å; L267-I308 HydrophobicContact CD1-CG2 3.63Å; L303-I308 HydrophobicContact CB-CD1 4.45Å; L303-I308 HydrophobicContact CB-CG1 3.95Å; L303-I308 HydrophobicContact CD1-CG1 4.47Å; G304-I308 WeakPolarHBondContact O-CD1 3.5Å; G304-I308 VanDerWaalsContact O-CG1 3.3Å; G304-I308 WeakPolarHBondContact O-CG1 3.33Å; G304-I308 PolarHBondContact O-N 2.97Å; G304-I308 VanDerWaalsContact O-N 3.09Å; I308-L312 HydrophobicContact CG2-CD1 4.45Å; I308-L312 VanDerWaalsContact O-CG 3.3Å; I308-L312 WeakPolarHBondContact O-CG 3.34Å; I308-L312 PolarHBondContact O-N 2.7Å; I308-L312 VanDerWaalsContact O-N 3.12Å
309K90.8Very high90.8Very high127 Ų12759.9 Ų59.955%0.55231%0.308SS*.Hα-helixtrans-74.4-29.1174.9-72.7174.3-174.2176.90112.5K305 G306 D307 K313K305-K309 VanDerWaalsContact O-CD 3.26Å; K305-K309 WeakPolarHBondContact O-CD 3.41Å; K305-K309 VanDerWaalsContact O-CG 3.23Å; K305-K309 WeakPolarHBondContact O-CG 3.5Å; G306-K309 WeakPolarHBondContact O-CB 3.47Å; G306-K309 PolarHBondContact O-N 3.45Å; D307-K309 PolarHBondContact O-N 3.27Å; D307-K309 VanDerWaalsContact O-N 3.16Å; K309-K313 WeakPolarHBondContact O-CB 3.46Å; K309-K313 VanDerWaalsContact O-CG 3.26Å; K309-K313 WeakPolarHBondContact O-CG 3.45Å; K309-K313 PolarHBondContact O-N 2.8Å; K309-K313 VanDerWaalsContact O-N 3.08Å
310N92.5Very high90.8Very high71 Ų7161.4 Ų61.438%0.3832%0.316SS..Hα-helixtrans-67.4-49.4174.2-164.537.4000110.1G306 D307 L312 K313 W314G306-N310 PolarHBondContact O-N 2.95Å; D307-N310 CarbonylContact O-C 3.52Å; D307-N310 WeakPolarHBondContact O-CA 3.32Å; D307-N310 VanDerWaalsContact O-CB 3.24Å; D307-N310 WeakPolarHBondContact O-CB 3.4Å; D307-N310 PolarHBondContact O-N 2.93Å; N310-L312 PolarHBondContact O-N 2.58Å; N310-K313 WeakPolarHBondContact O-CB 3.38Å; N310-K313 PolarHBondContact O-N 3.49Å; N310-K313 VanDerWaalsContact O-N 3.09Å; N310-W314 PolarHBondContact O-N 2.82Å
311L92.8Very high90.7Very high0 Ų063.3 Ų63.30%033%0.327CS..Hα-helixtrans-55.2-45.8174-66.8-175.8000112.6I293 D296 F297 L303 D307 K313 W314 R315I293-L311 HydrophobicContact CG2-CD2 3.98Å; D296-L311 HydrophobicContact CB-CD1 4.24Å; D296-L311 HydrophobicContact CB-CD2 3.79Å; D296-L311 HydrophobicContact CB-CG 4.25Å; F297-L311 HydrophobicContact CD1-CD1 4.11Å; F297-L311 HydrophobicContact CD1-CD2 4.37Å; F297-L311 HydrophobicContact CD2-CD2 4.2Å; F297-L311 HydrophobicContact CE1-CD1 3.83Å; F297-L311 HydrophobicContact CE1-CD2 3.99Å; F297-L311 HydrophobicContact CE1-CG 4.38Å; F297-L311 HydrophobicContact CE2-CD2 3.8Å; F297-L311 HydrophobicContact CG-CD2 4.48Å; F297-L311 HydrophobicContact CZ-CB 4.5Å; F297-L311 HydrophobicContact CZ-CD1 4.34Å; F297-L311 HydrophobicContact CZ-CD2 3.69Å; F297-L311 HydrophobicContact CZ-CG 4.4Å; L303-L311 HydrophobicContact CD1-CD1 3.58Å; D307-L311 PolarHBondContact O-N 3.39Å; L311-K313 PolarHBondContact O-N 2.69Å; L311-W314 PolarHBondContact O-N 2.94Å; L311-R315 PolarHBondContact O-N 3.04Å
312L92.7Very high90.7Very high46 Ų4660.3 Ų60.324%0.24132%0.315CS..Hα-helixtrans-65.3-36.9176.7-70.9174.8000112.9P266 L267 I308 N310 M316P266-L312 HydrophobicContact CB-CD2 3.82Å; P266-L312 HydrophobicContact CG-CD2 3.69Å; L267-L312 HydrophobicContact CD1-CD1 4.38Å; I308-L312 HydrophobicContact CG2-CD1 4.45Å; I308-L312 VanDerWaalsContact O-CG 3.3Å; I308-L312 WeakPolarHBondContact O-CG 3.34Å; I308-L312 PolarHBondContact O-N 2.7Å; I308-L312 VanDerWaalsContact O-N 3.12Å; N310-L312 PolarHBondContact O-N 2.58Å; L312-M316 VanDerWaalsContact O-CG 3.3Å; L312-M316 WeakPolarHBondContact O-CG 3.34Å; L312-M316 PolarHBondContact O-N 3.41Å
313K93.6Very high90.7Very high144 Ų14461.5 Ų61.563%0.62631%0.311SS*.Hα-helixtrans-67.2-41.9173.5-76.6172.8178.2-175.50111.9K309 N310 L311 M316 K317K309-K313 WeakPolarHBondContact O-CB 3.46Å; K309-K313 VanDerWaalsContact O-CG 3.26Å; K309-K313 WeakPolarHBondContact O-CG 3.45Å; K309-K313 PolarHBondContact O-N 2.8Å; K309-K313 VanDerWaalsContact O-N 3.08Å; N310-K313 WeakPolarHBondContact O-CB 3.38Å; N310-K313 PolarHBondContact O-N 3.49Å; N310-K313 VanDerWaalsContact O-N 3.09Å; L311-K313 PolarHBondContact O-N 2.69Å; K313-M316 PolarHBondContact O-N 3.12Å; K313-K317 WeakPolarHBondContact O-CG 3.39Å; K313-K317 PolarHBondContact O-N 3.09Å; K313-K317 VanDerWaalsContact O-N 3.1Å
314W94.6Very high90.6Very high8 Ų862.5 Ų62.53%0.0332%0.323CS..Hα-helixtrans-60.3-48.4175.1167.183.8000111L257 F260 L261 I283 L288 T289 I293 F297 N310 L311 M316 K317 I318L257-W314 HydrophobicContact CD1-CH2 3.65Å; L257-W314 HydrophobicContact CD1-CZ3 3.92Å; L257-W314 HydrophobicContact CD2-CH2 4.01Å; L257-W314 HydrophobicContact CG-CH2 4.39Å; F260-W314 HydrophobicContact CE1-CZ3 4.21Å; L261-W314 HydrophobicContact CD2-CZ3 4.36Å; I283-W314 HydrophobicContact CG2-CH2 4.15Å; I283-W314 HydrophobicContact CG2-CZ2 3.81Å; L288-W314 VanDerWaalsContact O-CD1 3.3Å; T289-W314 HydrophobicContact CG2-CZ2 4Å; T289-W314 WeakPolarHBondContact OG1-CZ2 3.37Å; T289-W314 PolarHBondContact OG1-NE1 3.34Å; I293-W314 HydrophobicContact CD1-CB 3.98Å; I293-W314 HydrophobicContact CD1-CG 3.77Å; I293-W314 HydrophobicContact CG2-CD2 3.96Å; I293-W314 HydrophobicContact CG2-CE3 4.39Å; I293-W314 HydrophobicContact CG2-CG 4.23Å; I293-W314 HydrophobicContact CG2-CZ2 4.37Å; F297-W314 AromaticContact CE2-CE3 3.88Å; F297-W314 HydrophobicContact CE2-CE3 3.88Å; F297-W314 AromaticContact CE2-CH2 3.72Å; F297-W314 HydrophobicContact CE2-CH2 3.72Å; F297-W314 HydrophobicContact CE2-CZ2 4.46Å; F297-W314 AromaticContact CE2-CZ3 3.4Å; F297-W314 HydrophobicContact CE2-CZ3 3.4Å; F297-W314 AromaticContact CZ-CE3 3.92Å; F297-W314 HydrophobicContact CZ-CE3 3.92Å; F297-W314 HydrophobicContact CZ-CH2 4.21Å; F297-W314 AromaticContact CZ-CZ3 3.47Å; F297-W314 HydrophobicContact CZ-CZ3 3.47Å; F297-W314 VanDerWaalsContact CZ-CZ3 3.47Å; N310-W314 PolarHBondContact O-N 2.82Å; L311-W314 PolarHBondContact O-N 2.94Å; W314-M316 VanDerWaalsContact C-N 3.3Å; W314-M316 PolarHBondContact O-N 3.49Å; W314-K317 WeakPolarHBondContact O-CA 3.42Å; W314-K317 WeakPolarHBondContact O-CB 3.43Å; W314-K317 PolarHBondContact O-N 2.89Å; W314-I318 HydrophobicContact CD2-CG1 4.04Å; W314-I318 HydrophobicContact CG-CG1 4.33Å; W314-I318 HydrophobicContact CZ2-CD1 4.48Å; W314-I318 HydrophobicContact CZ2-CG1 3.87Å; W314-I318 PolarHBondContact O-N 2.92Å
315R93.2Very high90.2Very high27 Ų2765.8 Ų65.810%0.10233%0.332CS..Hα-helixtrans-53-46.3175172.3169.6-179.2-82.70.8112F260 L261 S263 L311 K317 I318 L319F260-R315 HydrophobicContact CE1-CB 4.09Å; F260-R315 HydrophobicContact CE1-CG 4.33Å; F260-R315 HydrophobicContact CZ-CB 4.39Å; F260-R315 PolarHBondContact O-NE 3.02Å; F260-R315 VanDerWaalsContact O-NE 3.1Å; L261-R315 HydrophobicContact CD2-CB 4.41Å; L261-R315 HydrophobicContact CD2-CG 3.89Å; L261-R315 PolarHBondContact O-NE 3.34Å; L261-R315 PolarHBondContact O-NH2 3.23Å; S263-R315 PolarHBondContact O-NH2 3.31Å; L311-R315 PolarHBondContact O-N 3.04Å; R315-K317 VanDerWaalsContact C-N 3.32Å; R315-K317 PolarHBondContact O-N 2.87Å; R315-I318 PolarHBondContact O-N 3.16Å; R315-L319 HydrophobicContact CG-CD1 3.82Å; R315-L319 HydrophobicContact CG-CG 4.33Å; R315-L319 WeakPolarHBondContact O-CB 3.16Å; R315-L319 VanDerWaalsContact O-CG 3.29Å; R315-L319 WeakPolarHBondContact O-CG 3.16Å; R315-L319 PolarHBondContact O-N 3.16Å
316M92.6Very high89.7Confident113 Ų11364 Ų6456%0.55733%0.332SS*.Hα-helixtrans-63.9-35.7178-65.4-68.3-77.800112.4L312 K313 W314 N320L312-M316 VanDerWaalsContact O-CG 3.3Å; L312-M316 WeakPolarHBondContact O-CG 3.34Å; L312-M316 PolarHBondContact O-N 3.41Å; K313-M316 PolarHBondContact O-N 3.12Å; W314-M316 VanDerWaalsContact C-N 3.3Å; W314-M316 PolarHBondContact O-N 3.49Å; M316-N320 PolarHBondContact O-N 2.83Å; M316-N320 PolarHBondContact O-OD1 2.71Å
317K93.2Very high88.9Confident120 Ų12068.6 Ų68.652%0.52234%0.338SS..Hα-helixtrans-69-46.7174.7-67.6-180175.5-172.10112.2L288 K313 W314 R315 L319 N320 V321L288-K317 HydrophobicContact CD1-CB 3.87Å; L288-K317 HydrophobicContact CD1-CD 4.35Å; L288-K317 HydrophobicContact CD2-CD 4.48Å; K313-K317 WeakPolarHBondContact O-CG 3.39Å; K313-K317 PolarHBondContact O-N 3.09Å; K313-K317 VanDerWaalsContact O-N 3.1Å; W314-K317 WeakPolarHBondContact O-CA 3.42Å; W314-K317 WeakPolarHBondContact O-CB 3.43Å; W314-K317 PolarHBondContact O-N 2.89Å; R315-K317 VanDerWaalsContact C-N 3.32Å; R315-K317 PolarHBondContact O-N 2.87Å; K317-L319 PolarHBondContact O-N 3.25Å; K317-N320 WeakPolarHBondContact O-CB 3.38Å; K317-N320 PolarHBondContact O-N 3.01Å; K317-N320 VanDerWaalsContact O-N 3.11Å; K317-V321 PolarHBondContact O-N 3.28Å
318I91.7Very high87.6Confident3 Ų371.9 Ų71.92%0.01535%0.351CS..Hα-helixtrans-60.7-44.6177.8-66.2-61.8000110.8L261 I283 L288 W314 R315 N320 V321 L322L261-I318 HydrophobicContact CD1-CG2 4.33Å; L261-I318 HydrophobicContact CD2-CG2 4.39Å; I283-I318 HydrophobicContact CD1-CG2 4.2Å; I283-I318 HydrophobicContact CG1-CG2 4.48Å; I283-I318 HydrophobicContact CG2-CD1 4.42Å; I283-I318 HydrophobicContact CG2-CG1 4.49Å; I283-I318 HydrophobicContact CG2-CG2 3.98Å; L288-I318 HydrophobicContact CB-CD1 4.11Å; L288-I318 HydrophobicContact CD1-CD1 4.38Å; W314-I318 HydrophobicContact CD2-CG1 4.04Å; W314-I318 HydrophobicContact CG-CG1 4.33Å; W314-I318 HydrophobicContact CZ2-CD1 4.48Å; W314-I318 HydrophobicContact CZ2-CG1 3.87Å; W314-I318 PolarHBondContact O-N 2.92Å; R315-I318 PolarHBondContact O-N 3.16Å; I318-N320 PolarHBondContact O-N 3.47Å; I318-V321 PolarHBondContact O-N 2.83Å; I318-V321 VanDerWaalsContact O-N 3.14Å; I318-L322 HydrophobicContact CG2-CD1 3.85Å; I318-L322 HydrophobicContact CG2-CG 4.32Å; I318-L322 WeakPolarHBondContact O-CG 3.45Å; I318-L322 PolarHBondContact O-N 2.89Å
319L91.1Very high86.1Confident41 Ų4174.6 Ų74.622%0.21537%0.371CS..Hα-helixtrans-62.7-28.1175.3-72.4173.3000113.3L261 R315 K317 K323L261-L319 HydrophobicContact CB-CD2 4.39Å; R315-L319 HydrophobicContact CG-CD1 3.82Å; R315-L319 HydrophobicContact CG-CG 4.33Å; R315-L319 WeakPolarHBondContact O-CB 3.16Å; R315-L319 VanDerWaalsContact O-CG 3.29Å; R315-L319 WeakPolarHBondContact O-CG 3.16Å; R315-L319 PolarHBondContact O-N 3.16Å; K317-L319 PolarHBondContact O-N 3.25Å; L319-K323 WeakPolarHBondContact O-CB 3.46Å; L319-K323 WeakPolarHBondContact O-CD 3.23Å; L319-K323 WeakPolarHBondContact O-CG 3.36Å; L319-K323 PolarHBondContact O-N 2.83Å
320N91.3Very high84.3Confident103 Ų10375.1 Ų75.155%0.55137%0.373SS*.Hα-helixtrans-76-36.6173.9-73.20.4000112.1M316 K317 I318 K323 A324M316-N320 PolarHBondContact O-N 2.83Å; M316-N320 PolarHBondContact O-OD1 2.71Å; K317-N320 WeakPolarHBondContact O-CB 3.38Å; K317-N320 PolarHBondContact O-N 3.01Å; K317-N320 VanDerWaalsContact O-N 3.11Å; I318-N320 PolarHBondContact O-N 3.47Å; N320-K323 PolarHBondContact O-N 3.11Å; N320-A324 PolarHBondContact O-N 3.4Å
321V89.1Confident82.3Confident40 Ų4076.6 Ų76.624%0.24238%0.381CS..Hα-helixtrans-64.8-52.4174.4173.90000110.5L288 K317 I318 K323 A324 E325L288-V321 HydrophobicContact CD1-CG2 4.24Å; K317-V321 PolarHBondContact O-N 3.28Å; I318-V321 PolarHBondContact O-N 2.83Å; I318-V321 VanDerWaalsContact O-N 3.14Å; V321-K323 PolarHBondContact O-N 3.16Å; V321-K323 VanDerWaalsContact O-N 3.14Å; V321-A324 WeakPolarHBondContact O-CA 3.1Å; V321-A324 WeakPolarHBondContact O-CB 3.21Å; V321-A324 PolarHBondContact O-N 3.24Å; V321-E325 HydrophobicContact CG1-CG 4.38Å; V321-E325 WeakPolarHBondContact CG1-OE1 3.46Å; V321-E325 PolarHBondContact O-N 2.82Å
322L85.8Confident80.3Confident61 Ų6180.4 Ų80.432%0.31941%0.408SS..Hα-helixtrans-56.9-33.7176.9-67.3169.4000112.4I283 I318 S326I283-L322 HydrophobicContact CD1-CD1 4.08Å; I318-L322 HydrophobicContact CG2-CD1 3.85Å; I318-L322 HydrophobicContact CG2-CG 4.32Å; I318-L322 WeakPolarHBondContact O-CG 3.45Å; I318-L322 PolarHBondContact O-N 2.89Å; L322-S326 VanDerWaalsContact O-CB 3.31Å; L322-S326 WeakPolarHBondContact O-CB 3.3Å; L322-S326 PolarHBondContact O-N 3.43Å; L322-S326 PolarHBondContact O-OG 2.89Å
323K87Confident78.3Confident133 Ų13385 Ų8558%0.57843%0.431SS*.Hα-helixtrans-70.2-37.8173.5-80.5174.9179.9-172.70113.1L319 N320 V321 S326 K327L319-K323 WeakPolarHBondContact O-CB 3.46Å; L319-K323 WeakPolarHBondContact O-CD 3.23Å; L319-K323 WeakPolarHBondContact O-CG 3.36Å; L319-K323 PolarHBondContact O-N 2.83Å; N320-K323 PolarHBondContact O-N 3.11Å; V321-K323 PolarHBondContact O-N 3.16Å; V321-K323 VanDerWaalsContact O-N 3.14Å; K323-S326 WeakPolarHBondContact CA-OG 3.49Å; K323-S326 PolarHBondContact O-N 3.11Å; K323-S326 PolarHBondContact O-OG 3.22Å; K323-K327 PolarHBondContact O-N 3.42Å
324A85.7Confident75.9Confident44 Ų4485.4 Ų85.436%0.36444%0.435SS..Hα-helixtrans-67.5-47.4176.500000111.1N320 V321 S326 K327 E328N320-A324 PolarHBondContact O-N 3.4Å; V321-A324 WeakPolarHBondContact O-CA 3.1Å; V321-A324 WeakPolarHBondContact O-CB 3.21Å; V321-A324 PolarHBondContact O-N 3.24Å; A324-S326 PolarHBondContact O-N 3.2Å; A324-K327 WeakPolarHBondContact O-CA 3.19Å; A324-K327 WeakPolarHBondContact O-CB 3.21Å; A324-K327 PolarHBondContact O-N 3.36Å; A324-E328 PolarHBondContact O-N 2.97Å
325E78.9Confident73.3Confident92 Ų9293.4 Ų93.443%0.4347%0.473SS..Hα-helixtrans-57.7-38.6174.3-66.8165.1165.600111.2V321 K327 S329V321-E325 HydrophobicContact CG1-CG 4.38Å; V321-E325 WeakPolarHBondContact CG1-OE1 3.46Å; V321-E325 PolarHBondContact O-N 2.82Å; E325-K327 VanDerWaalsContact C-N 3.26Å; E325-K327 PolarHBondContact O-N 2.79Å; E325-S329 WeakPolarHBondContact O-CB 3.35Å; E325-S329 PolarHBondContact O-N 3.11Å; E325-S329 PolarHBondContact O-OG 2.88Å
326S76.1Confident70.7Confident56 Ų5696.9 Ų96.939%0.39250%0.501SS..Hα-helixtrans-72.3-10.2174.779.30000115.6L322 K323 A324 S329 K330L322-S326 VanDerWaalsContact O-CB 3.31Å; L322-S326 WeakPolarHBondContact O-CB 3.3Å; L322-S326 PolarHBondContact O-N 3.43Å; L322-S326 PolarHBondContact O-OG 2.89Å; K323-S326 WeakPolarHBondContact CA-OG 3.49Å; K323-S326 PolarHBondContact O-N 3.11Å; K323-S326 PolarHBondContact O-OG 3.22Å; A324-S326 PolarHBondContact O-N 3.2Å; S326-S329 WeakPolarHBondContact CA-OG 3.31Å; S326-K330 WeakPolarHBondContact O-CG 3.37Å
327K73Confident67.9Low144 Ų14498.3 Ų98.363%0.62651%0.511SS*.Hα-helixtrans-92.2-51.9169.6-77.6-170.8168.9-158.90110.5K323 A324 E325 S329 K330 D331K323-K327 PolarHBondContact O-N 3.42Å; A324-K327 WeakPolarHBondContact O-CA 3.19Å; A324-K327 WeakPolarHBondContact O-CB 3.21Å; A324-K327 PolarHBondContact O-N 3.36Å; E325-K327 VanDerWaalsContact C-N 3.26Å; E325-K327 PolarHBondContact O-N 2.79Å; K327-S329 PolarHBondContact O-N 3.46Å; K327-K330 WeakPolarHBondContact O-CA 3.43Å; K327-K330 WeakPolarHBondContact O-CB 3.37Å; K327-K330 PolarHBondContact O-N 2.96Å; K327-D331 VanDerWaalsContact O-CG 3.23Å; K327-D331 PolarHBondContact O-N 3.18Å
328E63.6Low65.3Low133 Ų133100.1 Ų100.162%0.62153%0.525SS*.Hα-helixtrans-57.5-35.6179.4-68177-177.400112.3A324 K330 S332A324-E328 PolarHBondContact O-N 2.97Å; E328-K330 VanDerWaalsContact C-N 3.29Å; E328-K330 PolarHBondContact O-N 3.33Å; E328-S332 WeakPolarHBondContact O-CB 3.43Å; E328-S332 PolarHBondContact O-N 3.33Å; E328-S332 PolarHBondContact O-OG 2.87Å
329S58.2Low62.5Low60 Ų60105.2 Ų105.242%0.4256%0.559SS.*Hα-helixtrans-72.8-12.4173.653.90000115.2E325 S326 K327 I333E325-S329 WeakPolarHBondContact O-CB 3.35Å; E325-S329 PolarHBondContact O-N 3.11Å; E325-S329 PolarHBondContact O-OG 2.88Å; S326-S329 WeakPolarHBondContact CA-OG 3.31Å; K327-S329 PolarHBondContact O-N 3.46Å; S329-I333 VanDerWaalsContact O-CD1 3.26Å; S329-I333 WeakPolarHBondContact O-CD1 3.35Å; S329-I333 WeakPolarHBondContact O-CG1 3.4Å
330K54.1Low59.7Low139 Ų139113.2 Ų113.260%0.60459%0.592SS**Hα-helixtrans-92.5-45.5168.5-69.8179.5177-1750110.9S326 K327 E328 S332 I333 E334S326-K330 WeakPolarHBondContact O-CG 3.37Å; K327-K330 WeakPolarHBondContact O-CA 3.43Å; K327-K330 WeakPolarHBondContact O-CB 3.37Å; K327-K330 PolarHBondContact O-N 2.96Å; E328-K330 VanDerWaalsContact C-N 3.29Å; E328-K330 PolarHBondContact O-N 3.33Å; K330-S332 PolarHBondContact O-N 3.41Å; K330-I333 PolarHBondContact O-N 2.95Å; K330-E334 PolarHBondContact O-N 3.05Å; K330-E334 VanDerWaalsContact O-N 3.15Å
331D50.2Low56.9Low102 Ų102119.1 Ų119.155%0.54561%0.606SS.*Hα-helixtrans-58.8-36.1179.7-57.4-25.7000111.1K327 I333K327-D331 VanDerWaalsContact O-CG 3.23Å; K327-D331 PolarHBondContact O-N 3.18Å; D331-I333 VanDerWaalsContact C-N 3.34Å; D331-I333 PolarHBondContact O-N 2.76Å
332S50Low54.2Low80 Ų80123.7 Ų123.756%0.55963%0.629SS**THydrogen-bonded Turntrans-78.1-5.8175.352.80000116E328 K330E328-S332 WeakPolarHBondContact O-CB 3.43Å; E328-S332 PolarHBondContact O-N 3.33Å; E328-S332 PolarHBondContact O-OG 2.87Å; K330-S332 PolarHBondContact O-N 3.41Å
333I52Low51.7Low141 Ų141127.5 Ų127.572%0.72366%0.656SS**THydrogen-bonded Turntrans-103-22.5174.3-65.5178000111.2S329 K330 D331S329-I333 VanDerWaalsContact O-CD1 3.26Å; S329-I333 WeakPolarHBondContact O-CD1 3.35Å; S329-I333 WeakPolarHBondContact O-CG1 3.4Å; K330-I333 PolarHBondContact O-N 2.95Å; D331-I333 VanDerWaalsContact C-N 3.34Å; D331-I333 PolarHBondContact O-N 2.76Å
334E42Very low49.7Very low154 Ų154122.8 Ų122.872%0.7264%0.644SS**SBendtrans-97.53.6-179.1-65.5-173.216100114.1K330 S336K330-E334 PolarHBondContact O-N 3.05Å; K330-E334 VanDerWaalsContact O-N 3.15Å; E334-S336 PolarHBondContact O-N 2.81Å
335E40.5Very low47.7Very low176 Ų176126.9 Ų126.982%0.82266%0.656SS**THydrogen-bonded Turntrans-69.717.1-173.7-144.2177.3-159.500115.6
336S38.1Very low46.3Very low99 Ų99128.5 Ų128.569%0.69267%0.667SS**THydrogen-bonded Turntrans-134.146.4176.679.20000114.5E334E334-S336 PolarHBondContact O-N 2.81Å
337N35.4Very low45.1Very low144 Ų144133.4 Ų133.477%0.7768%0.684SS**SBendtrans-175137.1141-99.4-45.6000115.4
338L37.8Very low44.3Very low157 Ų157133.3 Ų133.382%0.82269%0.686SS**  trans74.9157.4160.6-87.382.6000119.1
339P32.7Very low44.1Very low110 Ų110132 Ų13271%0.71468%0.683SS**  trans-104.7164.3-141.639.7-37.6000116
340K31.5Very low44.4Very low209 Ų209134.2 Ų134.291%0.90969%0.69SS**  trans-15.4120.5165-62.8178.1178.6-179.40115.2
341R33.3Very low45.3Very low228 Ų228134.6 Ų134.686%0.8669%0.694SS**  trans-121.6149.4159-115.4177.7175.3152.3-1.1109.4T343R341-T343 PolarHBondContact O-N 3.19Å
342D33.1Very low46.2Very low135 Ų135133.8 Ų133.872%0.72269%0.693SS**  trans-71.6122.8-161.1-67.6-67.8000114G344D342-G344 PolarHBondContact O-N 3.06Å
343T33.3Very low47Very low142 Ų142135.9 Ų135.987%0.87169%0.693SS**THydrogen-bonded Turntrans-77.556.4171.155.80000111R341R341-T343 PolarHBondContact O-N 3.19Å
344G44.3Very low48.1Very low33 Ų33133.3 Ų133.334%0.3468%0.684SS.*THydrogen-bonded Turntrans-131.8-32175.800000113D342 D346 E347 E348D342-G344 PolarHBondContact O-N 3.06Å; G344-D346 PolarHBondContact O-N 2.89Å; G344-E347 PolarHBondContact O-N 2.93Å; G344-E348 PolarHBondContact O-N 3.34Å
345E44.6Very low49.7Very low131 Ų131129.4 Ų129.461%0.61267%0.666SS**Hα-helixtrans-67.1-35.1-177.4-61.5-177.6150.600112.3E347 E348 D349E345-E347 VanDerWaalsContact C-N 3.32Å; E345-E347 PolarHBondContact O-N 3.22Å; E345-E348 PolarHBondContact O-N 3.19Å; E345-D349 WeakPolarHBondContact O-CB 3.48Å; E345-D349 PolarHBondContact O-N 2.66Å
346D48.4Very low51.5Low125 Ų125123.8 Ų123.867%0.66864%0.644SS**Hα-helixtrans-64.4-29.8179-74.4-37.1000114.1G344 L350G344-D346 PolarHBondContact O-N 2.89Å; D346-L350 WeakPolarHBondContact O-CD1 3.48Å; D346-L350 VanDerWaalsContact O-CG 3.32Å; D346-L350 WeakPolarHBondContact O-CG 3.44Å; D346-L350 PolarHBondContact O-N 2.92Å
347E51.3Low53.2Low160 Ų160125.1 Ų125.175%0.74864%0.639SS**Hα-helixtrans-80.3-39.6177.5-121.4178-174.500110.7G344 E345 E351G344-E347 PolarHBondContact O-N 2.93Å; E345-E347 VanDerWaalsContact C-N 3.32Å; E345-E347 PolarHBondContact O-N 3.22Å; E347-E351 WeakPolarHBondContact O-CB 3.28Å; E347-E351 PolarHBondContact O-N 3.37Å
348E56.1Low55.4Low141 Ų141124.4 Ų124.466%0.65963%0.625SS**Hα-helixtrans-65-43174-67.4-168.8173.600112.1G344 E345 L350 E351 V352G344-E348 PolarHBondContact O-N 3.34Å; E345-E348 PolarHBondContact O-N 3.19Å; E348-L350 PolarHBondContact O-N 3.49Å; E348-E351 PolarHBondContact O-N 2.89Å; E348-V352 WeakPolarHBondContact O-CB 3.49Å; E348-V352 VanDerWaalsContact O-CG2 3.27Å; E348-V352 WeakPolarHBondContact O-CG2 3.19Å; E348-V352 PolarHBondContact O-N 3.18Å
349D58.9Low57.4Low106 Ų106121.4 Ų121.457%0.56761%0.61SS**Hα-helixtrans-64.3-40.5178-90.5-11.9000112.1E345 V352 E353E345-D349 WeakPolarHBondContact O-CB 3.48Å; E345-D349 PolarHBondContact O-N 2.66Å; D349-V352 PolarHBondContact O-N 3.43Å; D349-E353 WeakPolarHBondContact O-CG 3.3Å; D349-E353 PolarHBondContact O-N 3.23Å
350L65.7Low59.4Low107 Ų107124.3 Ų124.356%0.5661%0.607SS**Hα-helixtrans-64.5-41.2173.2-77.6171.7000111.8D346 E348 E353 T354D346-L350 WeakPolarHBondContact O-CD1 3.48Å; D346-L350 VanDerWaalsContact O-CG 3.32Å; D346-L350 WeakPolarHBondContact O-CG 3.44Å; D346-L350 PolarHBondContact O-N 2.92Å; E348-L350 PolarHBondContact O-N 3.49Å; L350-E353 PolarHBondContact O-N 2.82Å; L350-T354 VanDerWaalsContact O-CG2 3.28Å; L350-T354 WeakPolarHBondContact O-CG2 3.33Å; L350-T354 PolarHBondContact O-N 2.77Å
351E71.4Confident61.7Low146 Ų146118.1 Ų118.168%0.68258%0.584SS**Hα-helixtrans-67.5-39.4178.5-162.7142.8-126.500111.1E347 E348 T354 E355E347-E351 WeakPolarHBondContact O-CB 3.28Å; E347-E351 PolarHBondContact O-N 3.37Å; E348-E351 PolarHBondContact O-N 2.89Å; E351-T354 PolarHBondContact O-N 3.47Å; E351-T354 PolarHBondContact O-OG1 3.5Å; E351-E355 PolarHBondContact O-N 2.75Å
352V69.1Low63.8Low86 Ų86111.1 Ų111.152%0.52156%0.561SS.*Hα-helixtrans-61-46.4170.5169.40000111.8E348 D349 T354 E355 V356E348-V352 WeakPolarHBondContact O-CB 3.49Å; E348-V352 VanDerWaalsContact O-CG2 3.27Å; E348-V352 WeakPolarHBondContact O-CG2 3.19Å; E348-V352 PolarHBondContact O-N 3.18Å; D349-V352 PolarHBondContact O-N 3.43Å; V352-T354 VanDerWaalsContact C-N 3.3Å; V352-T354 PolarHBondContact O-N 2.79Å; V352-E355 PolarHBondContact O-N 3.42Å; V352-V356 HydrophobicContact CG1-CG2 4.29Å; V352-V356 WeakPolarHBondContact O-CB 3.26Å; V352-V356 VanDerWaalsContact O-CG2 3.29Å; V352-V356 WeakPolarHBondContact O-CG2 3.47Å; V352-V356 PolarHBondContact O-N 3.5Å
353E68.1Low65.8Low123 Ų123109.3 Ų109.358%0.57555%0.548SS*.Hα-helixtrans-59.6-40175.8-79.4-159.7152.300112D349 L350 Q357D349-E353 WeakPolarHBondContact O-CG 3.3Å; D349-E353 PolarHBondContact O-N 3.23Å; L350-E353 PolarHBondContact O-N 2.82Å; E353-Q357 WeakPolarHBondContact O-CG 3.49Å; E353-Q357 PolarHBondContact O-N 2.81Å
354T75Confident67.8Low87 Ų87107 Ų10753%0.53453%0.527SS..Hα-helixtrans-68.4-39.2177.8700000113L350 E351 V352 Q357 R358L350-T354 VanDerWaalsContact O-CG2 3.28Å; L350-T354 WeakPolarHBondContact O-CG2 3.33Å; L350-T354 PolarHBondContact O-N 2.77Å; E351-T354 PolarHBondContact O-N 3.47Å; E351-T354 PolarHBondContact O-OG1 3.5Å; V352-T354 VanDerWaalsContact C-N 3.3Å; V352-T354 PolarHBondContact O-N 2.79Å; T354-Q357 PolarHBondContact O-N 3.4Å; T354-R358 WeakPolarHBondContact O-CB 3.19Å; T354-R358 PolarHBondContact O-N 2.78Å
355E75.9Confident69.5Low73 Ų73109.5 Ų109.534%0.34153%0.529SS..Hα-helixtrans-72.9-34.7176.7-169.761.9-154.200111.3E351 V352 R358 L359E351-E355 PolarHBondContact O-N 2.75Å; V352-E355 PolarHBondContact O-N 3.42Å; E355-R358 WeakPolarHBondContact O-CB 3.28Å; E355-R358 PolarHBondContact O-N 3.46Å; E355-R358 IonicContact OE1-CZ 2.71Å; E355-R358 IonicContact OE1-NE 3.98Å; E355-R358 IonicContact OE1-NH1 3.88Å; E355-R358 PolarHBondContact OE1-NH1 2.76Å; E355-R358 VanDerWaalsContact OE2-CD 3.25Å; E355-R358 WeakPolarHBondContact OE2-CD 3.34Å; E355-R358 IonicContact OE2-CZ 3.78Å; E355-R358 IonicContact OE2-NE 2.83Å; E355-R358 IonicContact OE2-NH1 3.71Å; E355-R358 PolarHBondContact OE2-NH1 2.91Å; E355-L359 HydrophobicContact CG-CD1 4.47Å; E355-L359 WeakPolarHBondContact O-CB 3.41Å; E355-L359 VanDerWaalsContact O-CG 3.29Å; E355-L359 WeakPolarHBondContact O-CG 3.32Å; E355-L359 PolarHBondContact O-N 3.43Å
356V76.8Confident70.9Confident58 Ų58107.8 Ų107.835%0.35252%0.523SS..Hα-helixtrans-60.9-46.9170.7168.70000111.2V352 R358 L359 W360V352-V356 HydrophobicContact CG1-CG2 4.29Å; V352-V356 WeakPolarHBondContact O-CB 3.26Å; V352-V356 VanDerWaalsContact O-CG2 3.29Å; V352-V356 WeakPolarHBondContact O-CG2 3.47Å; V352-V356 PolarHBondContact O-N 3.5Å; V356-R358 VanDerWaalsContact C-N 3.31Å; V356-R358 PolarHBondContact O-N 3.43Å; V356-L359 PolarHBondContact O-N 3.37Å; V356-W360 HydrophobicContact CG1-CD2 4.23Å; V356-W360 HydrophobicContact CG1-CE3 4.42Å; V356-W360 HydrophobicContact CG1-CH2 4.17Å; V356-W360 HydrophobicContact CG1-CZ2 3.96Å; V356-W360 HydrophobicContact CG1-CZ3 4.39Å; V356-W360 PolarHBondContact O-N 2.9Å
357Q75.4Confident72Confident127 Ų127107.3 Ų107.359%0.59352%0.515SS*.Hα-helixtrans-60.8-40.8174.5-76.8-173.412.900111.8E353 T354 W360 D361E353-Q357 WeakPolarHBondContact O-CG 3.49Å; E353-Q357 PolarHBondContact O-N 2.81Å; T354-Q357 PolarHBondContact O-N 3.4Å; Q357-W360 PolarHBondContact O-N 2.84Å; Q357-D361 WeakPolarHBondContact O-CB 3.4Å; Q357-D361 PolarHBondContact O-N 3.46Å
358R80.8Confident73.1Confident128 Ų128104.5 Ų104.548%0.48350%0.501SS..Hα-helixtrans-63.5-43.1176.2-177.8-170161.1-163-7.4112T354 E355 V356 D361 E362T354-R358 WeakPolarHBondContact O-CB 3.19Å; T354-R358 PolarHBondContact O-N 2.78Å; E355-R358 WeakPolarHBondContact O-CB 3.28Å; E355-R358 PolarHBondContact O-N 3.46Å; E355-R358 IonicContact OE1-CZ 2.71Å; E355-R358 IonicContact OE1-NE 3.98Å; E355-R358 IonicContact OE1-NH1 3.88Å; E355-R358 PolarHBondContact OE1-NH1 2.76Å; E355-R358 VanDerWaalsContact OE2-CD 3.25Å; E355-R358 WeakPolarHBondContact OE2-CD 3.34Å; E355-R358 IonicContact OE2-CZ 3.78Å; E355-R358 IonicContact OE2-NE 2.83Å; E355-R358 IonicContact OE2-NH1 3.71Å; E355-R358 PolarHBondContact OE2-NH1 2.91Å; V356-R358 VanDerWaalsContact C-N 3.31Å; V356-R358 PolarHBondContact O-N 3.43Å; R358-D361 CarbonylContact O-C 3.55Å; R358-D361 PolarHBondContact O-N 3.47Å; R358-D361 VanDerWaalsContact O-N 3.17Å; R358-E362 IonicContact CZ-OE1 3.69Å; R358-E362 IonicContact NE-OE1 3.9Å; R358-E362 PolarHBondContact NE-OE1 3.04Å; R358-E362 VanDerWaalsContact NE-OE1 3.11Å; R358-E362 IonicContact NH2-OE1 3.84Å; R358-E362 PolarHBondContact NH2-OE1 3.38Å; R358-E362 WeakPolarHBondContact O-CG 3.27Å; R358-E362 PolarHBondContact O-N 2.78Å
359L79.6Confident74.2Confident94 Ų94104.2 Ų104.249%0.49250%0.497SS..Hα-helixtrans-62.8-43177.1-74.1170.7000111.4E355 V356 D361 E362 E363E355-L359 HydrophobicContact CG-CD1 4.47Å; E355-L359 WeakPolarHBondContact O-CB 3.41Å; E355-L359 VanDerWaalsContact O-CG 3.29Å; E355-L359 WeakPolarHBondContact O-CG 3.32Å; E355-L359 PolarHBondContact O-N 3.43Å; V356-L359 PolarHBondContact O-N 3.37Å; L359-D361 VanDerWaalsContact C-N 3.32Å; L359-D361 PolarHBondContact O-N 2.98Å; L359-E362 PolarHBondContact O-N 3.38Å; L359-E363 WeakPolarHBondContact O-CB 3.26Å; L359-E363 PolarHBondContact O-N 3.04Å
360W75.9Confident74.8Confident171 Ų171106.9 Ų106.965%0.64850%0.503SS*.Hα-helixtrans-60.5-40.6171.1-73.2-16.3000112.4V356 Q357 E363 E364V356-W360 HydrophobicContact CG1-CD2 4.23Å; V356-W360 HydrophobicContact CG1-CE3 4.42Å; V356-W360 HydrophobicContact CG1-CH2 4.17Å; V356-W360 HydrophobicContact CG1-CZ2 3.96Å; V356-W360 HydrophobicContact CG1-CZ3 4.39Å; V356-W360 PolarHBondContact O-N 2.9Å; Q357-W360 PolarHBondContact O-N 2.84Å; W360-E363 WeakPolarHBondContact O-CB 3.32Å; W360-E363 PolarHBondContact O-N 3.27Å; W360-E364 WeakPolarHBondContact O-CB 3.47Å; W360-E364 PolarHBondContact O-N 2.96Å
361D78.6Confident74.8Confident80 Ų80106.3 Ų106.343%0.42850%0.499SS..Hα-helixtrans-70-32.7178.8-153.334.2000111.5Q357 R358 L359 K365Q357-D361 WeakPolarHBondContact O-CB 3.4Å; Q357-D361 PolarHBondContact O-N 3.46Å; R358-D361 CarbonylContact O-C 3.55Å; R358-D361 PolarHBondContact O-N 3.47Å; R358-D361 VanDerWaalsContact O-N 3.17Å; L359-D361 VanDerWaalsContact C-N 3.32Å; L359-D361 PolarHBondContact O-N 2.98Å; D361-K365 WeakPolarHBondContact O-CB 3.37Å; D361-K365 WeakPolarHBondContact O-CD 3.47Å; D361-K365 WeakPolarHBondContact O-CE 3.24Å; D361-K365 WeakPolarHBondContact O-CG 3.5Å; D361-K365 PolarHBondContact O-N 3.25Å; D361-K365 WeakPolarHBondContact OD2-CE 3.2Å; D361-K365 IonicContact OD2-NZ 2.73Å; D361-K365 PolarHBondContact OD2-NZ 3.32Å
362E78.6Confident74.9Confident81 Ų81106.6 Ų106.638%0.37950%0.498SS..Hα-helixtrans-71.9-42.8171.3-72.4-162.9-155.300112.8R358 L359 K365 L366R358-E362 IonicContact CZ-OE1 3.69Å; R358-E362 IonicContact NE-OE1 3.9Å; R358-E362 PolarHBondContact NE-OE1 3.04Å; R358-E362 VanDerWaalsContact NE-OE1 3.11Å; R358-E362 IonicContact NH2-OE1 3.84Å; R358-E362 PolarHBondContact NH2-OE1 3.38Å; R358-E362 WeakPolarHBondContact O-CG 3.27Å; R358-E362 PolarHBondContact O-N 2.78Å; L359-E362 PolarHBondContact O-N 3.38Å; E362-K365 CarbonylContact O-C 3.56Å; E362-K365 WeakPolarHBondContact O-CB 3.33Å; E362-K365 PolarHBondContact O-N 3Å; E362-L366 WeakPolarHBondContact O-CB 3.32Å; E362-L366 WeakPolarHBondContact O-CG 3.28Å; E362-L366 PolarHBondContact O-N 2.95Å
363E75.3Confident75.2Confident96 Ų96109 Ų10945%0.44950%0.502SS..Hα-helixtrans-55-50.4168.9-97.8-124.4119.400111.5L359 W360 K365 L366 K367L359-E363 WeakPolarHBondContact O-CB 3.26Å; L359-E363 PolarHBondContact O-N 3.04Å; W360-E363 WeakPolarHBondContact O-CB 3.32Å; W360-E363 PolarHBondContact O-N 3.27Å; E363-K365 VanDerWaalsContact C-N 3.32Å; E363-K365 PolarHBondContact O-N 3.31Å; E363-L366 CarbonylContact O-C 3.6Å; E363-L366 PolarHBondContact O-N 3.24Å; E363-L366 VanDerWaalsContact O-N 3.11Å; E363-K367 VanDerWaalsContact CD-NZ 3.29Å; E363-K367 WeakPolarHBondContact O-CB 3.35Å; E363-K367 WeakPolarHBondContact O-CG 3.23Å; E363-K367 PolarHBondContact O-N 3.23Å; E363-K367 IonicContact OE1-NZ 2.7Å; E363-K367 PolarHBondContact OE1-NZ 2.82Å; E363-K367 IonicContact OE2-NZ 3.4Å; E363-K367 PolarHBondContact OE2-NZ 3.36Å
364E74.1Confident75.2Confident93 Ų93105.6 Ų105.644%0.43549%0.489SS..Hα-helixtrans-58.9-43.8176-89.1-136110.300111.1W360 L366 K367 K368W360-E364 WeakPolarHBondContact O-CB 3.47Å; W360-E364 PolarHBondContact O-N 2.96Å; E364-L366 VanDerWaalsContact C-N 3.31Å; E364-L366 PolarHBondContact O-N 3.02Å; E364-K367 PolarHBondContact O-N 3.24Å; E364-K368 WeakPolarHBondContact O-CB 3.36Å; E364-K368 WeakPolarHBondContact O-CD 3.47Å; E364-K368 WeakPolarHBondContact O-CG 3.44Å; E364-K368 PolarHBondContact O-N 2.93Å; E364-K368 WeakPolarHBondContact OE1-CE 3.37Å; E364-K368 IonicContact OE1-NZ 3.22Å; E364-K368 PolarHBondContact OE1-NZ 3.18Å; E364-K368 IonicContact OE2-NZ 3.96Å; E364-K368 PolarHBondContact OE2-NZ 3.29Å
365K79.4Confident74.9Confident87 Ų87109.7 Ų109.738%0.37850%0.495SS..Hα-helixtrans-62.7-37.8175.7-71.9157.2-154.8153.60111D361 E362 E363 K369D361-K365 WeakPolarHBondContact O-CB 3.37Å; D361-K365 WeakPolarHBondContact O-CD 3.47Å; D361-K365 WeakPolarHBondContact O-CE 3.24Å; D361-K365 WeakPolarHBondContact O-CG 3.5Å; D361-K365 PolarHBondContact O-N 3.25Å; D361-K365 WeakPolarHBondContact OD2-CE 3.2Å; D361-K365 IonicContact OD2-NZ 2.73Å; D361-K365 PolarHBondContact OD2-NZ 3.32Å; E362-K365 CarbonylContact O-C 3.56Å; E362-K365 WeakPolarHBondContact O-CB 3.33Å; E362-K365 PolarHBondContact O-N 3Å; E363-K365 VanDerWaalsContact C-N 3.32Å; E363-K365 PolarHBondContact O-N 3.31Å; K365-K369 WeakPolarHBondContact O-CB 3.02Å; K365-K369 WeakPolarHBondContact O-CD 3.4Å; K365-K369 WeakPolarHBondContact O-CG 3.13Å; K365-K369 PolarHBondContact O-N 3.28Å
366L75.9Confident74.7Confident95 Ų95112.9 Ų112.950%0.49751%0.508SS..Hα-helixtrans-70.3-47.1175.9-73.2172.5000112.2E362 E363 E364 K368 K369 K370E362-L366 WeakPolarHBondContact O-CB 3.32Å; E362-L366 WeakPolarHBondContact O-CG 3.28Å; E362-L366 PolarHBondContact O-N 2.95Å; E363-L366 CarbonylContact O-C 3.6Å; E363-L366 PolarHBondContact O-N 3.24Å; E363-L366 VanDerWaalsContact O-N 3.11Å; E364-L366 VanDerWaalsContact C-N 3.31Å; E364-L366 PolarHBondContact O-N 3.02Å; L366-K368 PolarHBondContact O-N 3.22Å; L366-K369 HydrophobicContact CD2-CD 4.3Å; L366-K369 CarbonylContact O-C 3.57Å; L366-K369 WeakPolarHBondContact O-CA 3.41Å; L366-K369 WeakPolarHBondContact O-CB 3.26Å; L366-K369 PolarHBondContact O-N 2.97Å; L366-K370 PolarHBondContact O-N 3.41Å
367K70.2Confident74.4Confident114 Ų114114.1 Ų114.150%0.49651%0.51SS..Hα-helixtrans-58-45.1173.2-73.1167177.7166.10110.7E363 E364 K369 K370 M371E363-K367 VanDerWaalsContact CD-NZ 3.29Å; E363-K367 WeakPolarHBondContact O-CB 3.35Å; E363-K367 WeakPolarHBondContact O-CG 3.23Å; E363-K367 PolarHBondContact O-N 3.23Å; E363-K367 IonicContact OE1-NZ 2.7Å; E363-K367 PolarHBondContact OE1-NZ 2.82Å; E363-K367 IonicContact OE2-NZ 3.4Å; E363-K367 PolarHBondContact OE2-NZ 3.36Å; E364-K367 PolarHBondContact O-N 3.24Å; K367-K369 PolarHBondContact O-N 3.5Å; K367-K370 PolarHBondContact O-N 3.18Å; K367-M371 WeakPolarHBondContact O-CB 3.48Å; K367-M371 PolarHBondContact O-N 3.43Å
368K75.4Confident74Confident102 Ų102112.6 Ų112.644%0.44350%0.501SS..Hα-helixtrans-64.6-32.9173.2-70.4162.9-171.1168.10112.8E364 L366 K372E364-K368 WeakPolarHBondContact O-CB 3.36Å; E364-K368 WeakPolarHBondContact O-CD 3.47Å; E364-K368 WeakPolarHBondContact O-CG 3.44Å; E364-K368 PolarHBondContact O-N 2.93Å; E364-K368 WeakPolarHBondContact OE1-CE 3.37Å; E364-K368 IonicContact OE1-NZ 3.22Å; E364-K368 PolarHBondContact OE1-NZ 3.18Å; E364-K368 IonicContact OE2-NZ 3.96Å; E364-K368 PolarHBondContact OE2-NZ 3.29Å; L366-K368 PolarHBondContact O-N 3.22Å; K368-K372 WeakPolarHBondContact O-CB 3.22Å; K368-K372 WeakPolarHBondContact O-CD 3.21Å; K368-K372 VanDerWaalsContact O-CG 3.24Å; K368-K372 WeakPolarHBondContact O-CG 3.1Å; K368-K372 PolarHBondContact O-N 3.03Å; K368-K372 VanDerWaalsContact O-N 3.12Å
369K78Confident73.3Confident135 Ų135113.3 Ų113.359%0.58750%0.504SS*.Hα-helixtrans-71.1-47.9172.5-77.7163.1-175.4170.40111.7K365 L366 K367 K372 K373K365-K369 WeakPolarHBondContact O-CB 3.02Å; K365-K369 WeakPolarHBondContact O-CD 3.4Å; K365-K369 WeakPolarHBondContact O-CG 3.13Å; K365-K369 PolarHBondContact O-N 3.28Å; L366-K369 HydrophobicContact CD2-CD 4.3Å; L366-K369 CarbonylContact O-C 3.57Å; L366-K369 WeakPolarHBondContact O-CA 3.41Å; L366-K369 WeakPolarHBondContact O-CB 3.26Å; L366-K369 PolarHBondContact O-N 2.97Å; K367-K369 PolarHBondContact O-N 3.5Å; K369-K372 PolarHBondContact O-N 2.99Å; K369-K373 PolarHBondContact O-N 3.46Å
370K72.4Confident73.1Confident161 Ų161114 Ų11470%0.750%0.503SS*.Hα-helixtrans-55.2-52.7174.7-74.6-176.4176.4-177.40110L366 K367 K372 K373 V374L366-K370 PolarHBondContact O-N 3.41Å; K367-K370 PolarHBondContact O-N 3.18Å; K370-K372 VanDerWaalsContact C-N 3.35Å; K370-K372 PolarHBondContact O-N 3.18Å; K370-K373 WeakPolarHBondContact O-CA 3.36Å; K370-K373 VanDerWaalsContact O-CB 3.31Å; K370-K373 WeakPolarHBondContact O-CB 3.49Å; K370-K373 PolarHBondContact O-N 2.97Å; K370-V374 PolarHBondContact O-N 3.07Å
371M64.4Low72.7Confident96 Ų96107.6 Ų107.647%0.47348%0.481SS..Hα-helixtrans-60.3-36.7176.7-78.5-66.5-8500114.1K367 K373 R375K367-M371 WeakPolarHBondContact O-CB 3.48Å; K367-M371 PolarHBondContact O-N 3.43Å; M371-K373 VanDerWaalsContact C-N 3.35Å; M371-R375 WeakPolarHBondContact O-CB 3.22Å; M371-R375 WeakPolarHBondContact O-CG 3.39Å; M371-R375 PolarHBondContact O-N 2.76Å
372K73.9Confident72.1Confident152 Ų152105 Ų10566%0.66147%0.471SS*.Hα-helixtrans-68.2-31.5172.7-79.9171.8-178171.10112.7K368 K369 K370 K376K368-K372 WeakPolarHBondContact O-CB 3.22Å; K368-K372 WeakPolarHBondContact O-CD 3.21Å; K368-K372 VanDerWaalsContact O-CG 3.24Å; K368-K372 WeakPolarHBondContact O-CG 3.1Å; K368-K372 PolarHBondContact O-N 3.03Å; K368-K372 VanDerWaalsContact O-N 3.12Å; K369-K372 PolarHBondContact O-N 2.99Å; K370-K372 VanDerWaalsContact C-N 3.35Å; K370-K372 PolarHBondContact O-N 3.18Å; K372-K376 WeakPolarHBondContact O-CB 3.17Å; K372-K376 PolarHBondContact O-N 2.91Å
373K75.6Confident71.5Confident136 Ų136105.9 Ų105.959%0.59148%0.475SS*.Hα-helixtrans-68-52.4174.8-164-174.1175.5-164.30110.2K369 K370 M371 R375 K376 E377K369-K373 PolarHBondContact O-N 3.46Å; K370-K373 WeakPolarHBondContact O-CA 3.36Å; K370-K373 VanDerWaalsContact O-CB 3.31Å; K370-K373 WeakPolarHBondContact O-CB 3.49Å; K370-K373 PolarHBondContact O-N 2.97Å; M371-K373 VanDerWaalsContact C-N 3.35Å; K373-R375 PolarHBondContact O-N 2.84Å; K373-K376 WeakPolarHBondContact O-CA 2.77Å; K373-K376 WeakPolarHBondContact O-CB 3.48Å; K373-K376 PolarHBondContact O-N 3.46Å; K373-E377 PolarHBondContact O-N 3.29Å
374V68Low71.1Confident52 Ų52106.5 Ų106.532%0.31547%0.473SS..Hα-helixtrans-57.4-49.21771770000111.8K370 K376 E377 K378K370-V374 PolarHBondContact O-N 3.07Å; V374-K376 VanDerWaalsContact C-N 3.25Å; V374-K376 PolarHBondContact O-N 3.11Å; V374-E377 PolarHBondContact O-N 3.17Å; V374-E377 VanDerWaalsContact O-N 3.13Å; V374-K378 HydrophobicContact CG1-CD 4.3Å; V374-K378 HydrophobicContact CG1-CG 4.47Å; V374-K378 PolarHBondContact O-N 3.34Å
375R68Low70.5Confident173 Ų173107.1 Ų107.165%0.65347%0.472SS*.Hα-helixtrans-60-33.6175.9-75.7178176.3155.21.2113.1M371 K373 R379M371-R375 WeakPolarHBondContact O-CB 3.22Å; M371-R375 WeakPolarHBondContact O-CG 3.39Å; M371-R375 PolarHBondContact O-N 2.76Å; K373-R375 PolarHBondContact O-N 2.84Å; R375-R379 VanDerWaalsContact O-CB 3.25Å; R375-R379 WeakPolarHBondContact O-CB 3.17Å; R375-R379 PolarHBondContact O-N 2.92Å
376K73.2Confident69.9Low140 Ų140108.8 Ų108.861%0.60949%0.489SS*.Hα-helixtrans-74.8-30.9177.7-173.9179.5-178.4-177.20112.2K372 K373 V374 K380K372-K376 WeakPolarHBondContact O-CB 3.17Å; K372-K376 PolarHBondContact O-N 2.91Å; K373-K376 WeakPolarHBondContact O-CA 2.77Å; K373-K376 WeakPolarHBondContact O-CB 3.48Å; K373-K376 PolarHBondContact O-N 3.46Å; V374-K376 VanDerWaalsContact C-N 3.25Å; V374-K376 PolarHBondContact O-N 3.11Å; K376-K380 VanDerWaalsContact O-CG 3.31Å; K376-K380 WeakPolarHBondContact O-CG 3.13Å; K376-K380 PolarHBondContact O-N 3.11Å; K376-K380 VanDerWaalsContact O-N 3.16Å
377E69.6Low69.6Low84 Ų84110.2 Ų110.239%0.39350%0.497SS..Hα-helixtrans-76.2-47.3173.5-83.3152.9-16900111.8K373 V374 R379 K380 L381K373-E377 PolarHBondContact O-N 3.29Å; V374-E377 PolarHBondContact O-N 3.17Å; V374-E377 VanDerWaalsContact O-N 3.13Å; E377-R379 VanDerWaalsContact C-N 3.27Å; E377-R379 PolarHBondContact O-N 3.44Å; E377-K380 WeakPolarHBondContact O-CB 3.31Å; E377-K380 PolarHBondContact O-N 3.29Å; E377-L381 PolarHBondContact O-N 3.44Å
378K67.3Low69.3Low94 Ų94114.2 Ų114.241%0.40951%0.514SS..Hα-helixtrans-56.4-39.1171.2-68.5-169.5177.1-1750112V374 L381 A382V374-K378 HydrophobicContact CG1-CD 4.3Å; V374-K378 HydrophobicContact CG1-CG 4.47Å; V374-K378 PolarHBondContact O-N 3.34Å; K378-L381 PolarHBondContact O-N 3.37Å; K378-A382 PolarHBondContact O-N 3.12Å
379R66.7Low68.6Low143 Ų143115.9 Ų115.954%0.5453%0.525SS..Hα-helixtrans-63.7-40.7172.2-179.5176.2173.4151.15.9113.8R375 E377 L381 A382 E383R375-R379 VanDerWaalsContact O-CB 3.25Å; R375-R379 WeakPolarHBondContact O-CB 3.17Å; R375-R379 PolarHBondContact O-N 2.92Å; E377-R379 VanDerWaalsContact C-N 3.27Å; E377-R379 PolarHBondContact O-N 3.44Å; R379-L381 VanDerWaalsContact C-N 3.33Å; R379-A382 PolarHBondContact O-N 3.29Å; R379-E383 IonicContact CZ-OE1 2.83Å; R379-E383 IonicContact NE-OE1 3.59Å; R379-E383 PolarHBondContact NE-OE1 3.14Å; R379-E383 IonicContact NH2-OE1 3.23Å; R379-E383 WeakPolarHBondContact O-CG 3.41Å; R379-E383 PolarHBondContact O-N 2.75Å
380K74.2Confident67.2Low110 Ų110111 Ų11148%0.47851%0.508SS..Hα-helixtrans-67.6-34175.4-75.7170178.8177.30112.2K376 E377 R384K376-K380 VanDerWaalsContact O-CG 3.31Å; K376-K380 WeakPolarHBondContact O-CG 3.13Å; K376-K380 PolarHBondContact O-N 3.11Å; K376-K380 VanDerWaalsContact O-N 3.16Å; E377-K380 WeakPolarHBondContact O-CB 3.31Å; E377-K380 PolarHBondContact O-N 3.29Å; K380-R384 PolarHBondContact O-N 3.43Å
381L67.7Low66.3Low36 Ų36109.9 Ų109.919%0.18851%0.505CS..Hα-helixtrans-65.8-48.7174.8-164.380.5000109.9E377 K378 R379 E383 R384 Y385 I396E377-L381 PolarHBondContact O-N 3.44Å; K378-L381 PolarHBondContact O-N 3.37Å; R379-L381 VanDerWaalsContact C-N 3.33Å; L381-E383 PolarHBondContact O-N 3.24Å; L381-R384 WeakPolarHBondContact O-CA 3.3Å; L381-R384 VanDerWaalsContact O-CB 3.31Å; L381-R384 WeakPolarHBondContact O-CB 3.37Å; L381-R384 PolarHBondContact O-N 3.22Å; L381-Y385 HydrophobicContact CD2-CE2 4.4Å; L381-Y385 HydrophobicContact CG-CD2 4.24Å; L381-Y385 HydrophobicContact CG-CE2 4.23Å; L381-Y385 PolarHBondContact O-N 2.82Å; L381-I396 HydrophobicContact CD2-CD1 4.06Å
382A65.7Low65.9Low26 Ų26112.7 Ų112.722%0.21552%0.517CS..Hα-helixtrans-60-42174.700000112.7K378 R379 R384 Y385 V386 V430K378-A382 PolarHBondContact O-N 3.12Å; R379-A382 PolarHBondContact O-N 3.29Å; A382-R384 VanDerWaalsContact C-N 3.28Å; A382-R384 PolarHBondContact O-N 2.96Å; A382-Y385 PolarHBondContact O-N 3.32Å; A382-V386 WeakPolarHBondContact O-CG2 3.44Å; A382-V386 PolarHBondContact O-N 3.45Å; A382-V430 HydrophobicContact CB-CG1 4.07Å
383E65.7Low64.9Low99 Ų99108.6 Ų108.646%0.46351%0.507SS..Hα-helixtrans-61.5-33.7172.5-78.1176-167.500112.1R379 L381 L387R379-E383 IonicContact CZ-OE1 2.83Å; R379-E383 IonicContact NE-OE1 3.59Å; R379-E383 PolarHBondContact NE-OE1 3.14Å; R379-E383 IonicContact NH2-OE1 3.23Å; R379-E383 WeakPolarHBondContact O-CG 3.41Å; R379-E383 PolarHBondContact O-N 2.75Å; L381-E383 PolarHBondContact O-N 3.24Å; E383-L387 WeakPolarHBondContact O-CB 3.39Å; E383-L387 WeakPolarHBondContact O-CD1 3.12Å; E383-L387 VanDerWaalsContact O-CG 3.27Å; E383-L387 WeakPolarHBondContact O-CG 3.34Å; E383-L387 PolarHBondContact O-N 2.84Å
384R67.9Low63.7Low108 Ų108105.6 Ų105.641%0.40850%0.498SS..Hα-helixtrans-68.3-45.7173.2-100.9-169.1-78.7165.7-5.8112.8K380 L381 A382 L387 K388 M389 D394K380-R384 PolarHBondContact O-N 3.43Å; L381-R384 WeakPolarHBondContact O-CA 3.3Å; L381-R384 VanDerWaalsContact O-CB 3.31Å; L381-R384 WeakPolarHBondContact O-CB 3.37Å; L381-R384 PolarHBondContact O-N 3.22Å; A382-R384 VanDerWaalsContact C-N 3.28Å; A382-R384 PolarHBondContact O-N 2.96Å; R384-L387 CarbonylContact O-C 3.52Å; R384-L387 PolarHBondContact O-N 3.41Å; R384-K388 PolarHBondContact O-N 3.23Å; R384-M389 HydrophobicContact CG-CB 4.39Å; R384-M389 PolarHBondContact O-N 2.83Å; R384-D394 IonicContact NH1-OD2 3.58Å; R384-D394 PolarHBondContact NH1-OD2 3.29Å
385Y61.3Low63.1Low107 Ų107112.1 Ų112.142%0.4252%0.518SS..Hα-helixtrans-60.6-48.7175.9-93.5-82.1000111.9L381 A382 L387 K388L381-Y385 HydrophobicContact CD2-CE2 4.4Å; L381-Y385 HydrophobicContact CG-CD2 4.24Å; L381-Y385 HydrophobicContact CG-CE2 4.23Å; L381-Y385 PolarHBondContact O-N 2.82Å; A382-Y385 PolarHBondContact O-N 3.32Å; Y385-L387 PolarHBondContact O-N 2.78Å; Y385-K388 PolarHBondContact O-N 3.46Å
386V67.4Low62.4Low121 Ų121108.2 Ų108.273%0.73351%0.509SS*.Hα-helixtrans-61.3-29.5177.4171.60000112.2A382 K388A382-V386 WeakPolarHBondContact O-CG2 3.44Å; A382-V386 PolarHBondContact O-N 3.45Å; V386-K388 VanDerWaalsContact C-N 3.32Å
387L69.8Low61.2Low126 Ų126110.8 Ų110.866%0.6652%0.524SS*.THydrogen-bonded Turntrans-84.52.9175.1-75.1167.4000114.2E383 R384 Y385 M389E383-L387 WeakPolarHBondContact O-CB 3.39Å; E383-L387 WeakPolarHBondContact O-CD1 3.12Å; E383-L387 VanDerWaalsContact O-CG 3.27Å; E383-L387 WeakPolarHBondContact O-CG 3.34Å; E383-L387 PolarHBondContact O-N 2.84Å; R384-L387 CarbonylContact O-C 3.52Å; R384-L387 PolarHBondContact O-N 3.41Å; Y385-L387 PolarHBondContact O-N 2.78Å; L387-M389 VanDerWaalsContact C-N 3.3Å; L387-M389 HydrophobicContact CB-CB 4.44Å; L387-M389 HydrophobicContact CB-CG 3.89Å; L387-M389 WeakPolarHBondContact O-CG 3.24Å; L387-M389 PolarHBondContact O-N 2.86Å
388K63.3Low60.4Low198 Ų198111.5 Ų111.586%0.86153%0.527SS*.THydrogen-bonded Turntrans51.644.5-174.1-63.8-169.8171.3-165.40113R384 Y385 V386R384-K388 PolarHBondContact O-N 3.23Å; Y385-K388 PolarHBondContact O-N 3.46Å; V386-K388 VanDerWaalsContact C-N 3.32Å
389M60Low59.3Low137 Ų137112 Ų11268%0.67554%0.542SS*.  trans-113.311.8-172.6-73.9-98-65.100114.3R384 L387R384-M389 HydrophobicContact CG-CB 4.39Å; R384-M389 PolarHBondContact O-N 2.83Å; L387-M389 VanDerWaalsContact C-N 3.3Å; L387-M389 HydrophobicContact CB-CB 4.44Å; L387-M389 HydrophobicContact CB-CG 3.89Å; L387-M389 WeakPolarHBondContact O-CG 3.24Å; L387-M389 PolarHBondContact O-N 2.86Å
390S48.7Very low58.4Low33 Ų33108.4 Ų108.423%0.23153%0.534CS..  trans-142.4152.6-179.346.10000111.3
391H53.9Low57.2Low136 Ų136110.1 Ų110.163%0.6355%0.548SS*.  trans-98.3162.6178-1516.5000109.6S393 D394H391-S393 PolarHBondContact O-N 2.8Å; H391-D394 PolarHBondContact O-N 3.37Å
392E55.2Low56.8Low156 Ų156116.5 Ų116.573%0.72958%0.577SS**THydrogen-bonded Turntrans-56.3-19.6-177.4-85.575.9-163.300115.7
393S52.7Low56.3Low65 Ų65118.5 Ų118.546%0.45558%0.584SS.*THydrogen-bonded Turntrans-90.44.6-174.641.20000116.3H391 Y395H391-S393 PolarHBondContact O-N 2.8Å; S393-Y395 VanDerWaalsContact C-N 3.31Å; S393-Y395 WeakPolarHBondContact O-CE1 3.48Å; S393-Y395 PolarHBondContact O-N 3.24Å
394D52.4Low55.6Low73 Ų73120.9 Ų120.939%0.3959%0.593SS.*  trans-81.165.7177-11024.5000111.3R384 H391R384-D394 IonicContact NH1-OD2 3.58Å; R384-D394 PolarHBondContact NH1-OD2 3.29Å; H391-D394 PolarHBondContact O-N 3.37Å
395Y54.6Low55.2Low190 Ų190118 Ų11875%0.74559%0.589SS**  trans-76.1153173.10.4-82000112.1S393S393-Y395 VanDerWaalsContact C-N 3.31Å; S393-Y395 WeakPolarHBondContact O-CE1 3.48Å; S393-Y395 PolarHBondContact O-N 3.24Å
396I52.8Low55.2Low91 Ų91117.5 Ų117.547%0.46759%0.593SS.*  trans-99103.2169-59.8175.2000106.9L381 Q398L381-I396 HydrophobicContact CD2-CD1 4.06Å; I396-Q398 PolarHBondContact O-N 3.07Å
397E49Very low55Low194 Ų194114.9 Ų114.991%0.90758%0.584SS**  trans-68.1116.8170.9-149.5162.8-132.800108.4
398Q52.8Low54.6Low98 Ų98112.4 Ų112.446%0.45858%0.582SS.*  trans-110.7110.1175.9-123.7-172.9-103.900106.2I396 D400I396-Q398 PolarHBondContact O-N 3.07Å; Q398-D400 VanDerWaalsContact C-N 3.33Å; Q398-D400 PolarHBondContact NE2-OD1 3.12Å; Q398-D400 PolarHBondContact NE2-OD2 3.09Å; Q398-D400 PolarHBondContact O-N 3.19Å
399S43.4Very low54.6Low106 Ų106104.1 Ų104.174%0.74155%0.547SS*.  trans-70.791.5172.455.60000108.4
400D47.3Very low54.8Low66 Ų66103.3 Ų103.335%0.35354%0.54SS..  trans-104.136-169.6-80.7-4.9000111.4Q398 E402 L403Q398-D400 VanDerWaalsContact C-N 3.33Å; Q398-D400 PolarHBondContact NE2-OD1 3.12Å; Q398-D400 PolarHBondContact NE2-OD2 3.09Å; Q398-D400 PolarHBondContact O-N 3.19Å; D400-E402 PolarHBondContact O-N 2.84Å; D400-L403 HydrophobicContact CB-CB 4.41Å; D400-L403 HydrophobicContact CB-CD1 3.57Å; D400-L403 VanDerWaalsContact CG-CD1 3.46Å; D400-L403 WeakPolarHBondContact O-CB 3.09Å; D400-L403 PolarHBondContact O-N 3.19Å
401D50.5Low55.6Low147 Ų147107 Ų10779%0.78656%0.557SS**THydrogen-bonded Turntrans-60.7-19.6-171.8-56.2-37.4000114.4
402E58Low56.3Low170 Ų170107 Ų10779%0.79456%0.56SS**THydrogen-bonded Turntrans-83.1-21.6176.9-65.9176.9170.100113.5D400 F404 S405D400-E402 PolarHBondContact O-N 2.84Å; E402-F404 VanDerWaalsContact C-N 3.26Å; E402-F404 PolarHBondContact O-N 2.95Å; E402-S405 PolarHBondContact O-N 2.66Å; E402-S405 PolarHBondContact O-OG 2.77Å
403L54.9Low57Low67 Ų67104.3 Ų104.335%0.35156%0.555SS.*THydrogen-bonded Turntrans-72.8-10.5-167.6-98.1128000115.3D400D400-L403 HydrophobicContact CB-CB 4.41Å; D400-L403 HydrophobicContact CB-CD1 3.57Å; D400-L403 VanDerWaalsContact CG-CD1 3.46Å; D400-L403 WeakPolarHBondContact O-CB 3.09Å; D400-L403 PolarHBondContact O-N 3.19Å
404F50.9Low57.5Low149 Ų149102.6 Ų102.665%0.65455%0.547SS*.THydrogen-bonded Turntrans-121.513178.8-68.3-78.5000113.7E402 L406 L422E402-F404 VanDerWaalsContact C-N 3.26Å; E402-F404 PolarHBondContact O-N 2.95Å; F404-L406 PolarHBondContact O-N 2.96Å; F404-L422 HydrophobicContact CE1-CD1 3.87Å; F404-L422 HydrophobicContact CE2-CD2 4.4Å; F404-L422 HydrophobicContact CZ-CD1 3.84Å; F404-L422 HydrophobicContact CZ-CD2 3.77Å; F404-L422 HydrophobicContact CZ-CG 4.49Å
405S61.2Low58.1Low48 Ų48102.5 Ų102.534%0.33655%0.546SS..  trans-71.7122.5178.963.40000112.1E402 A407 A408E402-S405 PolarHBondContact O-N 2.66Å; E402-S405 PolarHBondContact O-OG 2.77Å; S405-A407 PolarHBondContact O-N 3.25Å; S405-A407 VanDerWaalsContact O-N 3.07Å; S405-A408 PolarHBondContact O-N 3.23Å
406L60.7Low58.4Low97 Ų9798.6 Ų98.651%0.50854%0.535SS..THydrogen-bonded Turntrans-61.6-14.9176.9-68.6170000113.6F404 N575 L578F404-L406 PolarHBondContact O-N 2.96Å; L406-N575 PolarHBondContact O-ND2 2.93Å; L406-N575 VanDerWaalsContact O-ND2 3.13Å; L406-L578 HydrophobicContact CB-CD1 4.42Å; L406-L578 HydrophobicContact CB-CG 4.37Å
407A63.3Low58.8Low66 Ų66100 Ų10055%0.54554%0.539SS..THydrogen-bonded Turntrans-68.7-31.8171.500000112.9S405 N575S405-A407 PolarHBondContact O-N 3.25Å; S405-A407 VanDerWaalsContact O-N 3.07Å; A407-N575 PolarHBondContact O-ND2 2.95Å
408A61.1Low59.3Low73 Ų7391.8 Ų91.860%0.60350%0.503SS*.THydrogen-bonded Turntrans-87.4-21.6-174.900000114.1S405S405-A408 PolarHBondContact O-N 3.23Å
409I64.2Low59.6Low25 Ų2591.2 Ų91.213%0.12850%0.503CS..  trans-100.8105.2-176.5-55.4174.2000108.6L415 L577I409-L415 HydrophobicContact CD1-CD1 4.34Å; I409-L415 HydrophobicContact CG2-CB 4.22Å; I409-L415 HydrophobicContact CG2-CD1 4Å; I409-L577 HydrophobicContact CG2-CD1 4.34Å
410K63.7Low60.1Low120 Ų12092.7 Ų92.752%0.52250%0.496SS..  trans-95.4-44.6179.5-55.8-154.5175.4-161.30113.4N575K410-N575 WeakPolarHBondContact CD-OD1 3.41Å; K410-N575 WeakPolarHBondContact CE-OD1 3.5Å; K410-N575 WeakPolarHBondContact CG-OD1 3.34Å
411D66Low60.4Low110 Ų11096.1 Ų96.159%0.58851%0.514SS*.SBendtrans-126.2162.7-171.6-67.5-42.7000113V413 G414 L415D411-V413 HydrophobicContact CB-CB 4.5Å; D411-V413 PolarHBondContact O-N 2.86Å; D411-V413 VanDerWaalsContact O-N 3.16Å; D411-G414 WeakPolarHBondContact O-CA 3.49Å; D411-G414 PolarHBondContact O-N 3.16Å; D411-L415 PolarHBondContact O-N 2.72Å
412L68.2Low60.2Low135 Ų13592.9 Ų92.971%0.70750%0.496SS*.Hα-helixtrans-54.6-30.6169.2-165.772.6000112.5L415 E416L412-L415 HydrophobicContact CD1-CD2 4.22Å; L412-L415 PolarHBondContact O-N 2.98Å; L412-E416 WeakPolarHBondContact O-CB 3.25Å; L412-E416 PolarHBondContact O-N 3.36Å
413V68.8Low59Low101 Ų10187.4 Ų87.461%0.61249%0.486SS*.Hα-helixtrans-67.8-40.3174-178.90000111.3D411 E416 E417D411-V413 HydrophobicContact CB-CB 4.5Å; D411-V413 PolarHBondContact O-N 2.86Å; D411-V413 VanDerWaalsContact O-N 3.16Å; V413-E416 PolarHBondContact O-N 2.65Å; V413-E417 PolarHBondContact O-N 2.85Å
414G65Low58.2Low28 Ų2887.9 Ų87.929%0.28949%0.488SS..Hα-helixtrans-67.7-37173.300000112.4D411 E416 E417 S418D411-G414 WeakPolarHBondContact O-CA 3.49Å; D411-G414 PolarHBondContact O-N 3.16Å; G414-E416 VanDerWaalsContact C-N 3.35Å; G414-E417 PolarHBondContact O-N 2.77Å; G414-S418 PolarHBondContact O-N 3.48Å; G414-S418 PolarHBondContact O-OG 3.17Å
415L64.7Low57.8Low71 Ų7187.2 Ų87.237%0.37250%0.496SS..Hα-helixtrans-65.5-36.2171.4-16485.9000111.9I409 D411 L412 S418 N419I409-L415 HydrophobicContact CD1-CD1 4.34Å; I409-L415 HydrophobicContact CG2-CB 4.22Å; I409-L415 HydrophobicContact CG2-CD1 4Å; D411-L415 PolarHBondContact O-N 2.72Å; L412-L415 HydrophobicContact CD1-CD2 4.22Å; L412-L415 PolarHBondContact O-N 2.98Å; L415-S418 WeakPolarHBondContact CA-OG 3.32Å; L415-S418 PolarHBondContact O-OG 2.71Å; L415-S418 VanDerWaalsContact O-OG 3.07Å; L415-N419 WeakPolarHBondContact O-CB 3.11Å; L415-N419 PolarHBondContact O-N 3.22Å; L415-N419 PolarHBondContact O-ND2 2.92Å
416E61Low56.8Low109 Ų10988.3 Ų88.351%0.50950%0.504SS..Hα-helixtrans-71.1-34.5172.5-93.4-156.2-173.600112.7L412 V413 G414 K420L412-E416 WeakPolarHBondContact O-CB 3.25Å; L412-E416 PolarHBondContact O-N 3.36Å; V413-E416 PolarHBondContact O-N 2.65Å; G414-E416 VanDerWaalsContact C-N 3.35Å; E416-K420 WeakPolarHBondContact O-CB 3.29Å; E416-K420 VanDerWaalsContact O-CD 3.26Å; E416-K420 WeakPolarHBondContact O-CD 3.4Å; E416-K420 WeakPolarHBondContact O-CG 3.38Å; E416-K420 PolarHBondContact O-N 2.73Å; E416-K420 IonicContact OE2-NZ 3.09Å; E416-K420 PolarHBondContact OE2-NZ 3.39Å
417E61.3Low55.9Low121 Ų12186.9 Ų86.957%0.56550%0.497SS*.Hα-helixtrans-73.6-37.6175.5-75.4-163.1144.800112.3V413 G414 K420 L421V413-E417 PolarHBondContact O-N 2.85Å; G414-E417 PolarHBondContact O-N 2.77Å; E417-K420 PolarHBondContact O-N 2.75Å; E417-L421 PolarHBondContact O-N 3.07Å; E417-L421 VanDerWaalsContact O-N 3.08Å
418S58.5Low55.1Low20 Ų2086.6 Ų86.614%0.1449%0.489CS..Hα-helixtrans-66.6-39.817068.50000111.5G414 L415 K420 L421 L422G414-S418 PolarHBondContact O-N 3.48Å; G414-S418 PolarHBondContact O-OG 3.17Å; L415-S418 WeakPolarHBondContact CA-OG 3.32Å; L415-S418 PolarHBondContact O-OG 2.71Å; L415-S418 VanDerWaalsContact O-OG 3.07Å; S418-K420 VanDerWaalsContact C-N 3.35Å; S418-K420 PolarHBondContact O-N 3.1Å; S418-L421 CarbonylContact O-C 3.56Å; S418-L421 WeakPolarHBondContact O-CA 3.41Å; S418-L421 WeakPolarHBondContact O-CB 3.38Å; S418-L421 PolarHBondContact O-N 3.43Å; S418-L422 WeakPolarHBondContact O-CB 3.26Å; S418-L422 PolarHBondContact O-N 2.72Å
419N58.5Low54.5Low86 Ų8686 Ų8646%0.4649%0.489SS..Hα-helixtrans-67.9-27.9171.1-80.6-48.9000113.6L415 L421 G423L415-N419 WeakPolarHBondContact O-CB 3.11Å; L415-N419 PolarHBondContact O-N 3.22Å; L415-N419 PolarHBondContact O-ND2 2.92Å; N419-L421 PolarHBondContact O-N 2.75Å; N419-G423 WeakPolarHBondContact O-CA 3.23Å; N419-G423 PolarHBondContact O-N 2.72Å
420K55.1Low53.6Low138 Ų13887.8 Ų87.860%0.650%0.502SS*.Hα-helixtrans-72.6-17.6169.1-75.3157.9-166.9147.10112.8E416 E417 S418E416-K420 WeakPolarHBondContact O-CB 3.29Å; E416-K420 VanDerWaalsContact O-CD 3.26Å; E416-K420 WeakPolarHBondContact O-CD 3.4Å; E416-K420 WeakPolarHBondContact O-CG 3.38Å; E416-K420 PolarHBondContact O-N 2.73Å; E416-K420 IonicContact OE2-NZ 3.09Å; E416-K420 PolarHBondContact OE2-NZ 3.39Å; E417-K420 PolarHBondContact O-N 2.75Å; S418-K420 VanDerWaalsContact C-N 3.35Å; S418-K420 PolarHBondContact O-N 3.1Å
421L53.4Low52.9Low138 Ų13885.1 Ų85.172%0.72349%0.493SS*.Hα-helixtrans-89.2-36.7171.6-77.9160.7000112.7E417 S418 N419E417-L421 PolarHBondContact O-N 3.07Å; E417-L421 VanDerWaalsContact O-N 3.08Å; S418-L421 CarbonylContact O-C 3.56Å; S418-L421 WeakPolarHBondContact O-CA 3.41Å; S418-L421 WeakPolarHBondContact O-CB 3.38Å; S418-L421 PolarHBondContact O-N 3.43Å; N419-L421 PolarHBondContact O-N 2.75Å
422L46.7Very low52.3Low78 Ų7884.3 Ų84.341%0.40849%0.488SS..Hα-helixtrans-85.8-29.8179.8-81.7156000113.9F404 S418F404-L422 HydrophobicContact CE1-CD1 3.87Å; F404-L422 HydrophobicContact CE2-CD2 4.4Å; F404-L422 HydrophobicContact CZ-CD1 3.84Å; F404-L422 HydrophobicContact CZ-CD2 3.77Å; F404-L422 HydrophobicContact CZ-CG 4.49Å; S418-L422 WeakPolarHBondContact O-CB 3.26Å; S418-L422 PolarHBondContact O-N 2.72Å
423G31.6Very low51.8Low56 Ų5680.6 Ų80.658%0.57747%0.469SS*.SBendtrans-116.351.4-159.100000116N419N419-G423 WeakPolarHBondContact O-CA 3.23Å; N419-G423 PolarHBondContact O-N 2.72Å
424D38.4Very low51.3Low77 Ų7777.4 Ų77.441%0.41245%0.454SS..  trans-154.576.2151.3-152.9-17.6000113.2S426 N427D424-S426 PolarHBondContact O-N 3.39Å; D424-S426 VanDerWaalsContact O-N 3.09Å; D424-S426 WeakPolarHBondContact OD1-CB 3.37Å; D424-S426 PolarHBondContact OD1-N 3.49Å; D424-S426 VanDerWaalsContact OD1-N 3.15Å; D424-S426 PolarHBondContact OD1-OG 2.94Å; D424-N427 HydrophobicContact CB-CB 4.41Å; D424-N427 PolarHBondContact O-N 3.45Å; D424-N427 PolarHBondContact OD1-N 3.11Å; D424-N427 WeakPolarHBondContact OD2-CB 3.45Å; D424-N427 PolarHBondContact OD2-ND2 3.4Å
425T42.5Very low51.3Low134 Ų13481.3 Ų81.382%0.82246%0.459SS*.THydrogen-bonded Turntrans-64-7.9172.8500000113.3
426S40.4Very low51.5Low72 Ų7284.4 Ų84.450%0.50347%0.472SS..THydrogen-bonded Turntrans-92.7-14.9175.484.70000114.7D424D424-S426 PolarHBondContact O-N 3.39Å; D424-S426 VanDerWaalsContact O-N 3.09Å; D424-S426 WeakPolarHBondContact OD1-CB 3.37Å; D424-S426 PolarHBondContact OD1-N 3.49Å; D424-S426 VanDerWaalsContact OD1-N 3.15Å; D424-S426 PolarHBondContact OD1-OG 2.94Å
427N42.2Very low51.9Low66 Ų6685.1 Ų85.135%0.35348%0.475SS..SBendtrans-125.835.7-177.8-71.1-55.8000113.1D424 R435D424-N427 HydrophobicContact CB-CB 4.41Å; D424-N427 PolarHBondContact O-N 3.45Å; D424-N427 PolarHBondContact OD1-N 3.11Å; D424-N427 WeakPolarHBondContact OD2-CB 3.45Å; D424-N427 PolarHBondContact OD2-ND2 3.4Å; N427-R435 VanDerWaalsContact OD1-CZ 3.32Å; N427-R435 PolarHBondContact OD1-NH1 3.32Å; N427-R435 PolarHBondContact OD1-NH2 2.82Å
428T46.9Very low52.3Low61 Ų6184.2 Ų84.237%0.37447%0.473SS..  trans-60.5154.9171.373.60000111V430 D431 D432T428-V430 PolarHBondContact O-N 3.49Å; T428-D431 PolarHBondContact O-N 2.81Å; T428-D432 PolarHBondContact O-N 3.04Å
429G48.3Very low53Low59 Ų5988.1 Ų88.161%0.60849%0.493SS*.THydrogen-bonded Turntrans-63.65.9177.500000115.8
430V44.1Very low53.9Low64 Ų6486.9 Ų86.939%0.38849%0.494SS..THydrogen-bonded Turntrans-82.8-38.7164.9-173.80000110.1A382 T428 L433 A434A382-V430 HydrophobicContact CB-CG1 4.07Å; T428-V430 PolarHBondContact O-N 3.49Å; V430-L433 PolarHBondContact O-N 3Å; V430-A434 WeakPolarHBondContact O-CB 3.26Å; V430-A434 PolarHBondContact O-N 2.8Å
431D49.4Very low54.9Low64 Ų6483 Ų8334%0.34249%0.488SS..Hα-helixtrans-75.6-36.7-178.6-141.659.2000111.9T428 L433 A434 R435T428-D431 PolarHBondContact O-N 2.81Å; D431-L433 VanDerWaalsContact C-N 3.29Å; D431-L433 PolarHBondContact O-N 3.24Å; D431-A434 PolarHBondContact O-N 2.81Å; D431-R435 VanDerWaalsContact O-CB 3.31Å; D431-R435 WeakPolarHBondContact O-CB 3.48Å; D431-R435 WeakPolarHBondContact O-CD 3.45Å; D431-R435 WeakPolarHBondContact O-CG 3.3Å; D431-R435 PolarHBondContact O-N 3.32Å; D431-R435 IonicContact OD2-CZ 2.78Å; D431-R435 IonicContact OD2-NE 3.39Å; D431-R435 PolarHBondContact OD2-NE 2.77Å; D431-R435 IonicContact OD2-NH2 2.65Å; D431-R435 PolarHBondContact OD2-NH2 2.98Å
432D54.3Low55.9Low92 Ų9279.9 Ų79.949%0.49247%0.472SS..Hα-helixtrans-61.9-37.2168.3-86-12.2000112T428 R435 E436T428-D432 PolarHBondContact O-N 3.04Å; D432-R435 PolarHBondContact O-N 3.29Å; D432-R435 IonicContact OD1-NH1 3.37Å; D432-E436 WeakPolarHBondContact O-CB 3.38Å; D432-E436 WeakPolarHBondContact O-CG 3.46Å; D432-E436 PolarHBondContact O-N 3.18Å
433L56.1Low57.4Low57 Ų5783.6 Ų83.630%0.29849%0.485SS..Hα-helixtrans-77.2-29.9179-139.8161.4000111.5V430 D431 Q437V430-L433 PolarHBondContact O-N 3Å; D431-L433 VanDerWaalsContact C-N 3.29Å; D431-L433 PolarHBondContact O-N 3.24Å; L433-Q437 HydrophobicContact CD2-CG 4.3Å; L433-Q437 WeakPolarHBondContact O-CB 3.3Å; L433-Q437 VanDerWaalsContact O-CG 3.29Å; L433-Q437 WeakPolarHBondContact O-CG 3.18Å; L433-Q437 PolarHBondContact O-N 3.49Å
434A59.8Low59.6Low35 Ų3583.8 Ų83.829%0.28948%0.481SS..Hα-helixtrans-68.4-45.2168.900000111V430 D431 Q437 I438V430-A434 WeakPolarHBondContact O-CB 3.26Å; V430-A434 PolarHBondContact O-N 2.8Å; D431-A434 PolarHBondContact O-N 2.81Å; A434-Q437 PolarHBondContact O-N 3.08Å; A434-I438 WeakPolarHBondContact O-CB 3.37Å; A434-I438 WeakPolarHBondContact O-CD1 3.49Å; A434-I438 WeakPolarHBondContact O-CG1 3.47Å; A434-I438 PolarHBondContact O-N 3.12Å
435R64.2Low61.3Low109 Ų10986.6 Ų86.641%0.41149%0.489SS..Hα-helixtrans-60.7-48.1173.5-71.2165.5-166.8169.80.8110.9N427 D431 D432 Q437 I438 D439N427-R435 VanDerWaalsContact OD1-CZ 3.32Å; N427-R435 PolarHBondContact OD1-NH1 3.32Å; N427-R435 PolarHBondContact OD1-NH2 2.82Å; D431-R435 VanDerWaalsContact O-CB 3.31Å; D431-R435 WeakPolarHBondContact O-CB 3.48Å; D431-R435 WeakPolarHBondContact O-CD 3.45Å; D431-R435 WeakPolarHBondContact O-CG 3.3Å; D431-R435 PolarHBondContact O-N 3.32Å; D431-R435 IonicContact OD2-CZ 2.78Å; D431-R435 IonicContact OD2-NE 3.39Å; D431-R435 PolarHBondContact OD2-NE 2.77Å; D431-R435 IonicContact OD2-NH2 2.65Å; D431-R435 PolarHBondContact OD2-NH2 2.98Å; D432-R435 PolarHBondContact O-N 3.29Å; D432-R435 IonicContact OD1-NH1 3.37Å; R435-Q437 VanDerWaalsContact C-N 3.32Å; R435-Q437 PolarHBondContact O-N 3.42Å; R435-I438 PolarHBondContact O-N 3.48Å; R435-D439 WeakPolarHBondContact O-CB 3.29Å; R435-D439 PolarHBondContact O-N 3.36Å
436E68.6Low63Low137 Ų13788.6 Ų88.664%0.6448%0.482SS*.Hα-helixtrans-57.8-40.9173.3-81.5-171166.300112.5D432 A440D432-E436 WeakPolarHBondContact O-CB 3.38Å; D432-E436 WeakPolarHBondContact O-CG 3.46Å; D432-E436 PolarHBondContact O-N 3.18Å; E436-A440 WeakPolarHBondContact O-CB 3.39Å; E436-A440 PolarHBondContact O-N 3.18Å
437Q69.7Low64.7Low123 Ų12391.4 Ų91.458%0.57549%0.485SS*.Hα-helixtrans-70.4-38.9176.7-78.3-176.345.500112.9L433 A434 R435 A441L433-Q437 HydrophobicContact CD2-CG 4.3Å; L433-Q437 WeakPolarHBondContact O-CB 3.3Å; L433-Q437 VanDerWaalsContact O-CG 3.29Å; L433-Q437 WeakPolarHBondContact O-CG 3.18Å; L433-Q437 PolarHBondContact O-N 3.49Å; A434-Q437 PolarHBondContact O-N 3.08Å; R435-Q437 VanDerWaalsContact C-N 3.32Å; R435-Q437 PolarHBondContact O-N 3.42Å; Q437-A441 WeakPolarHBondContact O-CB 3.26Å; Q437-A441 PolarHBondContact O-N 2.58Å
438I70.5Confident66.1Low102 Ų10293.4 Ų93.452%0.52349%0.488SS..Hα-helixtrans-65.1-45.3175-71.6163.9000109.7A434 R435 A441 L442A434-I438 WeakPolarHBondContact O-CB 3.37Å; A434-I438 WeakPolarHBondContact O-CD1 3.49Å; A434-I438 WeakPolarHBondContact O-CG1 3.47Å; A434-I438 PolarHBondContact O-N 3.12Å; R435-I438 PolarHBondContact O-N 3.48Å; I438-A441 CarbonylContact O-C 3.56Å; I438-A441 PolarHBondContact O-N 3.15Å; I438-L442 HydrophobicContact CG2-CD1 3.93Å; I438-L442 HydrophobicContact CG2-CG 4.41Å; I438-L442 WeakPolarHBondContact O-CB 3.14Å; I438-L442 VanDerWaalsContact O-CG 3.32Å; I438-L442 WeakPolarHBondContact O-CG 3.35Å; I438-L442 PolarHBondContact O-N 3.09Å
439D73.2Confident67.4Low103 Ų10395 Ų9555%0.55149%0.493SS*.Hα-helixtrans-71-36.5179.8-130.221.5000111.4R435 L442 K443R435-D439 WeakPolarHBondContact O-CB 3.29Å; R435-D439 PolarHBondContact O-N 3.36Å; D439-L442 PolarHBondContact O-N 3.2Å; D439-K443 WeakPolarHBondContact O-CB 3.21Å; D439-K443 PolarHBondContact O-N 2.89Å
440A77.2Confident68.6Low59 Ų5994.4 Ų94.449%0.48848%0.483SS..Hα-helixtrans-63.3-39.6169.400000112E436 A444E436-A440 WeakPolarHBondContact O-CB 3.39Å; E436-A440 PolarHBondContact O-N 3.18Å; A440-A444 VanDerWaalsContact O-CB 3.22Å; A440-A444 WeakPolarHBondContact O-CB 3.41Å; A440-A444 PolarHBondContact O-N 3.33Å
441A74.8Confident69.8Low58 Ų5895.5 Ų95.548%0.47949%0.486SS..Hα-helixtrans-69-40175.700000112.2Q437 I438 A444 K445Q437-A441 WeakPolarHBondContact O-CB 3.26Å; Q437-A441 PolarHBondContact O-N 2.58Å; I438-A441 CarbonylContact O-C 3.56Å; I438-A441 PolarHBondContact O-N 3.15Å; A441-A444 PolarHBondContact O-N 2.83Å; A441-K445 VanDerWaalsContact O-CB 3.32Å; A441-K445 WeakPolarHBondContact O-CB 3.48Å; A441-K445 PolarHBondContact O-N 3.48Å
442L75.1Confident70.6Confident72 Ų7294.8 Ų94.838%0.37748%0.481SS..Hα-helixtrans-68.2-39.7174-73.6172.8000111.6I438 D439 K445 R446I438-L442 HydrophobicContact CG2-CD1 3.93Å; I438-L442 HydrophobicContact CG2-CG 4.41Å; I438-L442 WeakPolarHBondContact O-CB 3.14Å; I438-L442 VanDerWaalsContact O-CG 3.32Å; I438-L442 WeakPolarHBondContact O-CG 3.35Å; I438-L442 PolarHBondContact O-N 3.09Å; D439-L442 PolarHBondContact O-N 3.2Å; L442-K445 PolarHBondContact O-N 3.09Å; L442-R446 WeakPolarHBondContact O-CB 3.21Å; L442-R446 VanDerWaalsContact O-CG 3.32Å; L442-R446 WeakPolarHBondContact O-CG 3.33Å; L442-R446 PolarHBondContact O-N 3.37Å
443K78.9Confident71.1Confident156 Ų156100 Ų10068%0.67849%0.494SS*.Hα-helixtrans-66.2-39173.9-167.3169-171.8168.50111.2D439 K447D439-K443 WeakPolarHBondContact O-CB 3.21Å; D439-K443 PolarHBondContact O-N 2.89Å; K443-K447 VanDerWaalsContact O-CB 3.27Å; K443-K447 WeakPolarHBondContact O-CB 3.19Å; K443-K447 PolarHBondContact O-N 3.18Å
444A77.8Confident71.2Confident60 Ų60100.6 Ų100.650%0.49650%0.502SS..Hα-helixtrans-66.6-40.2171.400000112.4A440 A441 K447 R448A440-A444 VanDerWaalsContact O-CB 3.22Å; A440-A444 WeakPolarHBondContact O-CB 3.41Å; A440-A444 PolarHBondContact O-N 3.33Å; A441-A444 PolarHBondContact O-N 2.83Å; A444-K447 PolarHBondContact O-N 3.05Å; A444-R448 VanDerWaalsContact O-CB 3.28Å; A444-R448 WeakPolarHBondContact O-CB 3.48Å; A444-R448 PolarHBondContact O-N 2.88Å
445K74.2Confident71.1Confident135 Ų135100.6 Ų100.659%0.58750%0.5SS*.Hα-helixtrans-66.4-44175.2-171.8179-178.9-177.80111.8A441 L442 R448 L449A441-K445 VanDerWaalsContact O-CB 3.32Å; A441-K445 WeakPolarHBondContact O-CB 3.48Å; A441-K445 PolarHBondContact O-N 3.48Å; L442-K445 PolarHBondContact O-N 3.09Å; K445-R448 PolarHBondContact O-N 3.07Å; K445-L449 HydrophobicContact CG-CD1 4.29Å; K445-L449 WeakPolarHBondContact O-CB 3.38Å; K445-L449 WeakPolarHBondContact O-CG 3.44Å; K445-L449 PolarHBondContact O-N 2.9Å
446R76.4Confident70.7Confident177 Ų17799.5 Ų99.567%0.66851%0.514SS*.Hα-helixtrans-61.6-45.4173-77.3176.6178.8156.61.7111.3L442 L449 A450L442-R446 WeakPolarHBondContact O-CB 3.21Å; L442-R446 VanDerWaalsContact O-CG 3.32Å; L442-R446 WeakPolarHBondContact O-CG 3.33Å; L442-R446 PolarHBondContact O-N 3.37Å; R446-L449 PolarHBondContact O-N 3.4Å; R446-A450 WeakPolarHBondContact O-CB 3.48Å; R446-A450 PolarHBondContact O-N 2.99Å
447K76.1Confident70Confident131 Ų13199.1 Ų99.157%0.5752%0.521SS*.Hα-helixtrans-62.9-45.3175.8-171.3-177.7176.5-1750111.2K443 A444 L449 A450 D451K443-K447 VanDerWaalsContact O-CB 3.27Å; K443-K447 WeakPolarHBondContact O-CB 3.19Å; K443-K447 PolarHBondContact O-N 3.18Å; A444-K447 PolarHBondContact O-N 3.05Å; K447-L449 PolarHBondContact O-N 3.33Å; K447-A450 CarbonylContact O-C 3.57Å; K447-A450 WeakPolarHBondContact O-CB 3.34Å; K447-A450 PolarHBondContact O-N 3.29Å; K447-A450 VanDerWaalsContact O-N 3.11Å; K447-D451 WeakPolarHBondContact CE-OD2 3.4Å; K447-D451 WeakPolarHBondContact O-CB 3.43Å; K447-D451 VanDerWaalsContact O-CG 3.25Å; K447-D451 PolarHBondContact O-N 2.93Å
448R72Confident69Low108 Ų108100.1 Ų100.141%0.40853%0.526SS..Hα-helixtrans-59.4-43.9175.9-178.3175.3175.9151.310.2111.8A444 K445 A450 D451 E452 H464A444-R448 VanDerWaalsContact O-CB 3.28Å; A444-R448 WeakPolarHBondContact O-CB 3.48Å; A444-R448 PolarHBondContact O-N 2.88Å; K445-R448 PolarHBondContact O-N 3.07Å; R448-A450 VanDerWaalsContact C-N 3.32Å; R448-A450 PolarHBondContact O-N 3.43Å; R448-D451 PolarHBondContact O-N 2.66Å; R448-E452 HydrophobicContact CG-CG 4.37Å; R448-E452 VanDerWaalsContact CG-OE1 3.3Å; R448-E452 WeakPolarHBondContact CG-OE1 3.36Å; R448-E452 IonicContact CZ-OE1 3.42Å; R448-E452 IonicContact NE-OE1 3.11Å; R448-E452 PolarHBondContact NE-OE1 3.14Å; R448-E452 IonicContact NH2-OE1 2.64Å; R448-E452 PolarHBondContact NH2-OE1 3.28Å; R448-E452 WeakPolarHBondContact O-CB 3.41Å; R448-E452 WeakPolarHBondContact O-CG 3.16Å; R448-E452 PolarHBondContact O-N 2.84Å; R448-H464 PolarHBondContact NH2-O 2.76Å; R448-H464 VanDerWaalsContact NH2-O 3.14Å
449L74.5Confident67.5Low94 Ų9498.7 Ų98.749%0.49254%0.536SS..Hα-helixtrans-66.2-31.1174.6-75.7166.5000113.2K445 R446 K447 R453K445-L449 HydrophobicContact CG-CD1 4.29Å; K445-L449 WeakPolarHBondContact O-CB 3.38Å; K445-L449 WeakPolarHBondContact O-CG 3.44Å; K445-L449 PolarHBondContact O-N 2.9Å; R446-L449 PolarHBondContact O-N 3.4Å; K447-L449 PolarHBondContact O-N 3.33Å; L449-R453 WeakPolarHBondContact O-CB 3.48Å; L449-R453 WeakPolarHBondContact O-CG 3.4Å; L449-R453 PolarHBondContact O-N 3.3Å
450A74.4Confident66Low47 Ų47101.8 Ų101.839%0.38854%0.544SS..Hα-helixtrans-73.7-45.5173.700000111.5R446 K447 R448 E452 R453 C454R446-A450 WeakPolarHBondContact O-CB 3.48Å; R446-A450 PolarHBondContact O-N 2.99Å; K447-A450 CarbonylContact O-C 3.57Å; K447-A450 WeakPolarHBondContact O-CB 3.34Å; K447-A450 PolarHBondContact O-N 3.29Å; K447-A450 VanDerWaalsContact O-N 3.11Å; R448-A450 VanDerWaalsContact C-N 3.32Å; R448-A450 PolarHBondContact O-N 3.43Å; A450-E452 VanDerWaalsContact C-N 3.32Å; A450-E452 PolarHBondContact O-N 2.94Å; A450-R453 CarbonylContact O-C 3.53Å; A450-R453 PolarHBondContact O-N 2.85Å; A450-C454 WeakPolarHBondContact O-CB 3.41Å; A450-C454 PolarHBondContact O-N 3.42Å; A450-C454 PolarHBondContact O-SG 2.94Å; A450-C454 VanDerWaalsContact O-SG 3.33Å
451D69Low64.5Low86 Ų86108.3 Ų108.346%0.4656%0.562SS.*Hα-helixtrans-63.4-37.5174.7-66.1-16.8000110.5K447 R448 S455K447-D451 WeakPolarHBondContact CE-OD2 3.4Å; K447-D451 WeakPolarHBondContact O-CB 3.43Å; K447-D451 VanDerWaalsContact O-CG 3.25Å; K447-D451 PolarHBondContact O-N 2.93Å; R448-D451 PolarHBondContact O-N 2.66Å; D451-S455 WeakPolarHBondContact O-CB 3.45Å; D451-S455 PolarHBondContact O-N 3.16Å
452E65.5Low63.1Low50 Ų50117.5 Ų117.523%0.23458%0.584CS.*Hα-helixtrans-67.2-40.2171.9-76.3166.2-178.700111.5R448 A450 A456 V463R448-E452 HydrophobicContact CG-CG 4.37Å; R448-E452 VanDerWaalsContact CG-OE1 3.3Å; R448-E452 WeakPolarHBondContact CG-OE1 3.36Å; R448-E452 IonicContact CZ-OE1 3.42Å; R448-E452 IonicContact NE-OE1 3.11Å; R448-E452 PolarHBondContact NE-OE1 3.14Å; R448-E452 IonicContact NH2-OE1 2.64Å; R448-E452 PolarHBondContact NH2-OE1 3.28Å; R448-E452 WeakPolarHBondContact O-CB 3.41Å; R448-E452 WeakPolarHBondContact O-CG 3.16Å; R448-E452 PolarHBondContact O-N 2.84Å; A450-E452 VanDerWaalsContact C-N 3.32Å; A450-E452 PolarHBondContact O-N 2.94Å; E452-A456 WeakPolarHBondContact O-CB 3.46Å; E452-A456 PolarHBondContact O-N 3.43Å; E452-V463 HydrophobicContact CG-CG1 4.42Å
453R65Low61.5Low201 Ų201118 Ų11876%0.75859%0.589SS**Hα-helixtrans-65.2-44.2172.2-90.1-178.9162.5-176.2-6.3112.7L449 A450 A456 V457L449-R453 WeakPolarHBondContact O-CB 3.48Å; L449-R453 WeakPolarHBondContact O-CG 3.4Å; L449-R453 PolarHBondContact O-N 3.3Å; A450-R453 CarbonylContact O-C 3.53Å; A450-R453 PolarHBondContact O-N 2.85Å; R453-A456 PolarHBondContact O-N 2.9Å; R453-V457 WeakPolarHBondContact O-CG2 3.31Å; R453-V457 PolarHBondContact O-N 2.82Å
454C58.9Low59.8Low69 Ų69117.9 Ų117.947%0.46659%0.591SS.*Hα-helixtrans-69.3-42.9178.3-66.60000111.2A450 A456 V457 E458A450-C454 WeakPolarHBondContact O-CB 3.41Å; A450-C454 PolarHBondContact O-N 3.42Å; A450-C454 PolarHBondContact O-SG 2.94Å; A450-C454 VanDerWaalsContact O-SG 3.33Å; C454-A456 VanDerWaalsContact C-N 3.29Å; C454-A456 PolarHBondContact O-N 2.8Å; C454-V457 CarbonylContact O-C 3.56Å; C454-V457 PolarHBondContact O-N 3.49Å; C454-E458 WeakPolarHBondContact O-CB 3.42Å; C454-E458 PolarHBondContact O-N 3.1Å
455S57.2Low57.9Low36 Ų36123 Ų12325%0.25260%0.602SS.*Hα-helixtrans-63.1-34175.1-174.10000112.3D451 V457 G459 K460D451-S455 WeakPolarHBondContact O-CB 3.45Å; D451-S455 PolarHBondContact O-N 3.16Å; S455-V457 VanDerWaalsContact C-N 3.27Å; S455-V457 PolarHBondContact O-N 2.83Å; S455-G459 PolarHBondContact O-N 3.36Å; S455-K460 PolarHBondContact OG-O 3.04Å
456A54.8Low56.4Low86 Ų86124 Ų12471%0.71161%0.61SS**Hα-helixtrans-71-15.7171.800000114.5E452 R453 C454E452-A456 WeakPolarHBondContact O-CB 3.46Å; E452-A456 PolarHBondContact O-N 3.43Å; R453-A456 PolarHBondContact O-N 2.9Å; C454-A456 VanDerWaalsContact C-N 3.29Å; C454-A456 PolarHBondContact O-N 2.8Å
457V54.9Low54.6Low129 Ų129126.4 Ų126.478%0.78262%0.619SS**Hα-helixtrans-102.3-30177.4171.80000112.2R453 C454 S455R453-V457 WeakPolarHBondContact O-CG2 3.31Å; R453-V457 PolarHBondContact O-N 2.82Å; C454-V457 CarbonylContact O-C 3.56Å; C454-V457 PolarHBondContact O-N 3.49Å; S455-V457 VanDerWaalsContact C-N 3.27Å; S455-V457 PolarHBondContact O-N 2.83Å
458E49Very low52.7Low144 Ų144132 Ų13267%0.67364%0.636SS**Hα-helixtrans-103.82.8-174.6-64.8-171.8151.100115C454 K460C454-E458 WeakPolarHBondContact O-CB 3.42Å; C454-E458 PolarHBondContact O-N 3.1Å; E458-K460 VanDerWaalsContact C-N 3.28Å; E458-K460 PolarHBondContact O-N 3.08Å; E458-K460 VanDerWaalsContact O-N 3.11Å
459G39.3Very low50.8Low71 Ų71131.3 Ų131.373%0.73265%0.648SS**  trans63.722.7165.500000116S455S455-G459 PolarHBondContact O-N 3.36Å
460K41Very low48.8Very low169 Ų169130.2 Ų130.274%0.73566%0.659SS**  trans-125.6118.6-174.3-77.3169.9-177.7166.90113.3S455 E458S455-K460 PolarHBondContact OG-O 3.04Å; E458-K460 VanDerWaalsContact C-N 3.28Å; E458-K460 PolarHBondContact O-N 3.08Å; E458-K460 VanDerWaalsContact O-N 3.11Å
461K46.7Very low46.8Very low196 Ų196135.5 Ų135.585%0.85268%0.681SS**SBendtrans62.1101.4163-70.4178.8176.6172.50118.6V463K461-V463 PolarHBondContact O-N 3.47Å
462R43.4Very low45.2Very low251 Ų251140.5 Ų140.595%0.94770%0.701SS**  trans1.7109.3153.4-81.5177.3147.6161.5-7116.4
463V41.6Very low43.8Very low81 Ų81143.4 Ų143.449%0.49173%0.727SS.*PPolyproline II helixtrans-99.6124.5162.4-159.30000109E452 K461E452-V463 HydrophobicContact CG-CG1 4.42Å; K461-V463 PolarHBondContact O-N 3.47Å
464H43.2Very low42.2Very low154 Ų154141.4 Ų141.471%0.71373%0.732SS**PPolyproline II helixtrans-81.4127.2-178-167-29.9000110.8R448R448-H464 PolarHBondContact NH2-O 2.76Å; R448-H464 VanDerWaalsContact NH2-O 3.14Å
465F39.2Very low41.1Very low167 Ų167147 Ų14773%0.73275%0.751SS**PPolyproline II helixtrans-79.4116.5168.5-130.9-94.9000109
466E42.9Very low40.1Very low158 Ų158152.7 Ų152.774%0.73878%0.778SS**  trans-91.2113.1169-89.1-17715000108.4R468E466-R468 PolarHBondContact O-N 3.03Å
467R37.5Very low39.1Very low227 Ų227156.5 Ų156.586%0.85779%0.786SS**  trans-75.7104.5174.9-161.5-178-159.7-176.96.5108.5S469R467-S469 PolarHBondContact O-N 2.82Å
468R36Very low38.1Very low248 Ų248155 Ų15594%0.93678%0.781SS**  trans-72.691.2167-84.1-172.9172.9-172.4-2.5109.3E466E466-R468 PolarHBondContact O-N 3.03Å
469S32.7Very low37.3Very low94 Ų94155.5 Ų155.566%0.65779%0.788SS**  trans-88.9124.4151.7-69.70000108.7R467R467-S469 PolarHBondContact O-N 2.82Å
470G33.3Very low37.2Very low70 Ų70159.2 Ų159.272%0.72279%0.792SS**  trans-118.6110.4147.500000105
471N32.9Very low36.8Very low159 Ų159159.1 Ų159.185%0.8579%0.794SS**  69.377.990.6-78.857000112
472Q34.8Very low36.2Very low190 Ų190154.5 Ų154.589%0.88878%0.784SS**  trans-106.1149.8131.8-84.4172.4-36.900107.6
473S35.4Very low35.4Very low112 Ų112151.7 Ų151.778%0.78378%0.779SS**  trans-49.2131.1-168.236.30000116.2
474D32.2Very low34.9Very low158 Ų158151.3 Ų151.385%0.84579%0.792SS**  trans-76131.6143.3-51.6-62.1000107.5
475E35.6Very low34.2Very low188 Ų188150.8 Ų150.888%0.87979%0.79SS**  trans-133.6144145.2-75.8-160.1156.200108.7
476D35.8Very low33.9Very low154 Ų154150.9 Ų150.982%0.82480%0.796SS**  trans-78.6161.5-162.6-53.8-77.9000113.8
477L34.2Very low33.3Very low166 Ų166153.1 Ų153.187%0.86980%0.799SS**  trans160.5128.1144.1-87.9170.9000106.3
478S34.7Very low33.1Very low98 Ų98146.2 Ų146.269%0.68579%0.791SS**  cis174136.9-8.242.80000104
479D31.6Very low33Very low154 Ų154141.5 Ų141.582%0.82478%0.779SS**  trans-59.9143-177.2-53.2-71.2000113.2
480N37.4Very low33Very low149 Ų149144.4 Ų144.480%0.79779%0.787SS**  trans179.2125.8131.8-88.7-29.5000113.7
481E32.2Very low33.1Very low167 Ų167145.2 Ų145.278%0.7877%0.772SS**  trans69.8154.4146.1-64.5-49.4111.700120.7
482P33.6Very low33Very low99 Ų99147.3 Ų147.364%0.64377%0.768SS**  trans-135.4-171.8-13143.3-25.3000115.7
483F27.4Very low32.9Very low192 Ų192142.8 Ų142.884%0.84275%0.75SS**  trans76.6127.4163.6-123-93.6000116.7
484G31.1Very low32.9Very low74 Ų74144.9 Ų144.976%0.76375%0.752SS**  trans161.682.5-176.300000111.3
485E28.4Very low33Very low143 Ų143144.7 Ų144.767%0.66875%0.751SS**  trans-71.1123.4-177-61.5168112.300112.2
486I32.5Very low33Very low168 Ų168145.2 Ų145.286%0.86275%0.746SS**  trans-136.9126.2150.9-59.9-173.8000108.7
487Y31Very low32.7Very low205 Ų205146.5 Ų146.580%0.80475%0.752SS**  trans-74.3136.2-175-76.5-115.8000112.2
488A32.9Very low32.6Very low83 Ų83141.7 Ų141.769%0.68673%0.732SS**  trans-156.1140.4168.300000114.2
489H32.9Very low32.2Very low148 Ų148142.4 Ų142.469%0.68574%0.737SS**  trans-68.8135-175.8-69.9-138.4000112.3E491 H678H489-E491 HydrophobicContact CB-CG 4.08Å; H489-H678 PolarHBondContact O-CE1 3.49Å
490N32.3Very low32.2Very low155 Ų155143.5 Ų143.583%0.82974%0.737SS**  cis73.17.12.7-95.9-14.6000119.6
491E35.6Very low31.8Very low88 Ų88145.5 Ų145.541%0.41174%0.742SS.*  trans-58.9139.3161.9-77.1165.1177.700111.8H489 R682H489-E491 HydrophobicContact CB-CG 4.08Å; E491-R682 VanDerWaalsContact C-NH2 3.35Å; E491-R682 VanDerWaalsContact CB-NH2 3.3Å; E491-R682 PolarHBondContact O-NE 3.11Å; E491-R682 VanDerWaalsContact O-NE 3.17Å; E491-R682 PolarHBondContact O-NH2 3.3Å; E491-R682 IonicContact OE2-NH2 3.9Å
492R31.8Very low31.9Very low203 Ų203143 Ų14377%0.76674%0.743SS**  trans-12171.9159.4-80.7-171.3-178.4164.43109.9D494R492-D494 PolarHBondContact O-N 3.27Å
493D33.5Very low31.8Very low95 Ų95144.3 Ų144.351%0.50875%0.754SS.*  trans-69.1104.8169.9-77.77.3000111.2R682D493-R682 VanDerWaalsContact N-NH1 3.19Å; D493-R682 PolarHBondContact O-NH1 3.18Å; D493-R682 VanDerWaalsContact O-NH1 3.1Å
494D33.4Very low32Very low155 Ų155144.6 Ų144.683%0.82976%0.758SS**  trans-77.3127.3152.4-68.3-40.5000108.3R492R492-D494 PolarHBondContact O-N 3.27Å
495L36.2Very low32.1Very low155 Ų155145 Ų14581%0.81276%0.762SS**  trans-124.483175.9-81.1172.1000111.1
496Y34.2Very low32.2Very low199 Ų199146.8 Ų146.878%0.7877%0.77SS**  27.1111.7127.1-148.4-133.2000117.1S498Y496-S498 WeakPolarHBondContact CD1-OG 3.41Å; Y496-S498 WeakPolarHBondContact CE1-OG 3.44Å; Y496-S498 PolarHBondContact O-N 3.45Å
497L29.7Very low32.1Very low180 Ų180144.4 Ų144.494%0.94277%0.769SS**  trans-84.183.1160.9-95.7156.3000108.4
498S31.4Very low32.1Very low66 Ų66137.9 Ų137.946%0.46276%0.763SS.*  trans-71125167.7-36.70000109.6Y496Y496-S498 WeakPolarHBondContact CD1-OG 3.41Å; Y496-S498 WeakPolarHBondContact CE1-OG 3.44Å; Y496-S498 PolarHBondContact O-N 3.45Å
499S27.6Very low32Very low112 Ų112142.8 Ų142.878%0.78377%0.769SS**  trans-76.5120.8154.547.30000108.8
500E32.2Very low32Very low178 Ų178142.4 Ų142.483%0.83277%0.768SS**  trans-118.395.9163-72.8-180161.800107.6
501E28.7Very low31.8Very low191 Ų191143 Ų14389%0.89377%0.771SS**  trans-88.2115.3160.9-69.4-174.1150.900107.8
502S32.9Very low31.7Very low114 Ų114141.9 Ų141.980%0.79778%0.783SS**  trans-174.7104.3157.646.70000110.8
503S33.3Very low31.7Very low126 Ų126141.5 Ų141.588%0.88179%0.79SS**  trans-176.1135.5130.5-163.60000109.3
504E30.2Very low31.6Very low199 Ų199142.8 Ų142.893%0.9380%0.797SS**  trans-86.9165.7-167.4-58.1176.9144.900112.7
505G32.7Very low31.6Very low81 Ų81145.9 Ų145.984%0.83580%0.797SS**  trans-179.880.5-175.500000113.8
506E30.9Very low31.3Very low181 Ų181146 Ų14685%0.84680%0.799SS**  trans-43.8143.5-172.3-72.7178.5106.200121.9
507S30Very low31.2Very low119 Ų119142.4 Ų142.483%0.83280%0.803SS**  84.1145.9127.775.60000124
508G31.9Very low31.1Very low67 Ų67139.3 Ų139.369%0.69179%0.791SS**  trans101.694.5167.200000115.1
509K30.7Very low31.1Very low186 Ų186143.8 Ų143.881%0.80981%0.809SS**  55.2135.473.4-73176.6152.1-125.60113.7
510E32.2Very low31.3Very low141 Ų141142.6 Ų142.666%0.65980%0.801SS**  cis-152.4141.68.3-103.1145.1-158.700108.1
511N29.5Very low31.2Very low167 Ų167138.8 Ų138.889%0.89379%0.794SS**  64.9138.891.6-71.7-6.2000118.3
512G32.9Very low31.5Very low65 Ų65137.6 Ų137.667%0.6779%0.788SS**  trans125.4102.9-173.700000110.7
513E31Very low31.6Very low194 Ų194141.9 Ų141.991%0.90779%0.788SS**  cis54.9127.348-55.8-169.8171.600110.7
514D31.4Very low31.5Very low123 Ų123145.2 Ų145.266%0.65879%0.79SS**  cis-166.7174.423.4-169.217.1000112.3
515R34.3Very low31.4Very low220 Ų220141 Ų14183%0.8378%0.782SS**  trans93.7129153.3-48.7-162.8177.9167.63.6123.5
516N29.8Very low31.5Very low157 Ų157142.1 Ų142.184%0.8478%0.778SS**  trans-75.9159.9170.3-65.7-50.2000113.6
517S31.3Very low31.6Very low124 Ų124141.8 Ų141.887%0.86778%0.776SS**  trans-147.4123137.664.80000111.2
518T28.3Very low31.8Very low114 Ų114143.1 Ų143.170%0.69977%0.772SS**  trans-99.4143.8-177.9-59.50000111.2
519L31.4Very low31.9Very low161 Ų161147.8 Ų147.884%0.84378%0.781SS**  trans-162.4107.5150-128.168.8000107.4
520S32.2Very low31.9Very low86 Ų86142.3 Ų142.360%0.60178%0.778SS**  70.6100.886.3-52.10000111.9
521S29.8Very low32.1Very low98 Ų98143.2 Ų143.269%0.68579%0.787SS**  84.9148.495.867.60000111.4
522E33.9Very low32.2Very low166 Ų166139.1 Ų139.178%0.77677%0.771SS**  cis-149.6161.337.8-74.4175169.600114.3
523Y35Very low32.1Very low204 Ų204143 Ų14380%0.878%0.777SS**  trans1.3153.1146.9-54.4-81000120
524E32.6Very low32.1Very low197 Ų197141.9 Ų141.992%0.92178%0.775SS**  cis-143.6171.845.4-72.2-173.6128.300116.4
525S28.6Very low32Very low110 Ų110141.6 Ų141.677%0.76978%0.778SS**  trans-146.7137176.857.90000112
526S34Very low31.8Very low105 Ų105136.3 Ų136.373%0.73478%0.775SS**  trans-160.6110.7158.656.20000108.5
527E33.7Very low32.2Very low173 Ų173136.9 Ų136.981%0.80878%0.777SS**  75.6105.688.9-69.5-173.5178.400112.1
528I33.3Very low32Very low147 Ų147135.8 Ų135.875%0.75477%0.769SS**  70.7108.188.9-68.2167.5000111.2
529D34.8Very low32.3Very low166 Ų166138.1 Ų138.189%0.88878%0.777SS**  -161.1156.4120.8-113.3-24.9000111
530G30.5Very low32.3Very low71 Ų71138.4 Ų138.473%0.73278%0.779SS**  trans-150.3131.9176.100000111.6
531D35.6Very low32.1Very low160 Ų160139.5 Ų139.586%0.85679%0.793SS**  trans-147-176.3156.4-147.6-18.8000111.3
532S32.6Very low32.2Very low80 Ų80139.7 Ų139.756%0.55980%0.795SS**  trans-129.7158.9-139.261.30000113.7
533N29.5Very low32Very low146 Ų146139 Ų13978%0.78180%0.795SS**  trans58.2107.9161.9-56.4-56.5000118.5
534I32.3Very low31.7Very low172 Ų172139.6 Ų139.688%0.88280%0.802SS**  -155.2158.8104.8-119.3171.6000113.9
535T28.2Very low31.5Very low117 Ų117134.4 Ų134.472%0.71879%0.788SS**  trans-93.9164.4-167.450.30000115.4
536S31.4Very low31.5Very low108 Ų108137.1 Ų137.176%0.75579%0.788SS**  trans85.2140.3173.784.70000114
537L36.7Very low31.3Very low170 Ų170137.9 Ų137.989%0.8979%0.793SS**  cis-127.6149.422.4-74.9157.4000114.1
538S28.4Very low31.2Very low100 Ų100135.9 Ų135.970%0.69979%0.788SS**  trans-92.8139.6174.755.40000112
539N33Very low31.1Very low163 Ų163136.5 Ų136.587%0.87279%0.793SS**  trans-167.2157.6132.6-99.1-30.2000114.6
540L31.8Very low30.9Very low167 Ų167139.6 Ų139.687%0.87479%0.792SS**  trans72.859.9164.2-134.672.8000120.3
541A27.9Very low30.9Very low109 Ų109146.6 Ų146.690%0.90180%0.797SS**  trans-84.3116153.700000111.4
542S31.9Very low30.7Very low103 Ų103145.1 Ų145.172%0.7279%0.793SS**  trans-149.6156.4164.8-160.60000111.9
543L31.2Very low30.6Very low151 Ų151150 Ų15079%0.79180%0.804SS**  trans6970.7169-61.9159.1000118.1
544K27.6Very low30.8Very low216 Ų216148.1 Ų148.194%0.93980%0.802SS**  trans-83.6104144.8-80-177.1174.4178.90110.2
545S28.4Very low30.7Very low89 Ų89149.2 Ų149.262%0.62280%0.801SS**  trans-171126.9154.450.50000115
546H29.6Very low31Very low166 Ų166154.8 Ų154.877%0.76981%0.809SS**  trans75.293.8150.2-64.227.5000117.5N548H546-N548 PolarHBondContact O-N 2.87Å
547S29.6Very low31Very low122 Ų122158.3 Ų158.385%0.85381%0.813SS**  trans-60.1110148.550.30000109.5
548N31.4Very low30.8Very low131 Ų131158 Ų15870%0.70181%0.809SS**  trans-87.7120.4169-77.8-20.5000109.2H546 R550H546-N548 PolarHBondContact O-N 2.87Å; N548-R550 PolarHBondContact O-N 3.04Å
549D30.2Very low31Very low159 Ų159160.9 Ų160.985%0.8582%0.815SS**  trans-62.3104.7161.2-77.3-50.6000108.6R551D549-R551 PolarHBondContact O-N 2.92Å
550R31.9Very low31.2Very low231 Ų231160.1 Ų160.187%0.87281%0.81SS**  trans-82.790.1170-80.8-173.1171.3-176.7-2.6109N548 V552N548-R550 PolarHBondContact O-N 3.04Å; R550-V552 VanDerWaalsContact C-N 3.34Å; R550-V552 PolarHBondContact O-N 3.45Å
551R29.9Very low31.2Very low219 Ų219157.4 Ų157.483%0.82680%0.803SS**  trans-66.891.3166.8-171.8178.3-173.8-175.12.4109.2D549 K553D549-R551 PolarHBondContact O-N 2.92Å; R551-K553 PolarHBondContact O-N 3.23Å
552V30.7Very low31.4Very low128 Ų128158.7 Ų158.778%0.77680%0.802SS**  trans-63.3112.5172.8178.50000108.5R550R550-V552 VanDerWaalsContact C-N 3.34Å; R550-V552 PolarHBondContact O-N 3.45Å
553K30.7Very low31.5Very low183 Ų183157.2 Ų157.280%0.79680%0.803SS**  trans-91.3103163.1-78.1-173174-1750107.2R551 K555R551-K553 PolarHBondContact O-N 3.23Å; K553-K555 PolarHBondContact O-N 2.93Å
554S33.9Very low31.9Very low106 Ų106158.6 Ų158.674%0.74181%0.81SS**  trans-65.1129.3169.31770000109.8R556S554-R556 PolarHBondContact O-N 3.3Å
555K30.8Very low32.1Very low195 Ų195153.2 Ų153.285%0.84881%0.806SS**  trans-73.7108.8166.2-103.3-174.6171.7-173.70107K553 Q557K553-K555 PolarHBondContact O-N 2.93Å; K555-Q557 PolarHBondContact O-N 3.28Å
556R34.7Very low32.2Very low235 Ų235156.6 Ų156.689%0.88782%0.816SS**  trans-76.4105.7165.9-125.1179.7179.4-175.4-2.5107.6S554 M558S554-R556 PolarHBondContact O-N 3.3Å; R556-M558 PolarHBondContact O-N 2.91Å
557Q31.2Very low32.3Very low181 Ų181153.5 Ų153.585%0.84681%0.813SS**  trans-66.9124.1160.6-81.1169.2-49.400107.6K555K555-Q557 PolarHBondContact O-N 3.28Å
558M32.2Very low32.5Very low163 Ų163153.7 Ų153.780%0.80381%0.809SS**  trans-89.9115166.5-77.6-82.2-71.900106.8R556R556-M558 PolarHBondContact O-N 2.91Å
559I32.9Very low32.5Very low161 Ų161152.1 Ų152.183%0.82681%0.808SS**PPolyproline II helixtrans-80.6121171.3-62.2167.7000106.8
560L35.9Very low33Very low147 Ų147153.5 Ų153.577%0.7781%0.81SS**PPolyproline II helixtrans-91.1149.8168.5-78.2162.6000109.3
561P31.9Very low33.4Very low111 Ų111150.9 Ų150.972%0.72181%0.808SS**PPolyproline II helixtrans-73.7153.2-169.329.9-35.6000113.1
562P31.9Very low34Very low135 Ų135147.9 Ų147.988%0.87781%0.808SS**SBendtrans-75.3130.6179.431.4-33.8000111
563G35.5Very low35.1Very low73 Ų73151.6 Ų151.675%0.75381%0.814SS**  trans175.7-3.5177.800000118
564L39.1Very low36.1Very low180 Ų180150.3 Ų150.394%0.94280%0.804SS**  trans-138.779.4-177.1-69.4172.7000111.4
565A31Very low37.5Very low102 Ų102146.2 Ų146.284%0.84377%0.774SS**  trans-157.4100.9167.800000110.3
566L31.1Very low39.3Very low160 Ų160141.8 Ų141.884%0.83877%0.765SS**  trans-149.8123.2170.8-174.872.3000108.9
567S31.5Very low40.7Very low102 Ų102135.2 Ų135.271%0.71375%0.747SS**  trans57.4143.3174.149.60000116.6
568T33.3Very low42.1Very low125 Ų125130.9 Ų130.977%0.76773%0.729SS**  cis-151.4157.93-4.90000107.9
569S32.9Very low43.6Very low98 Ų98129.3 Ų129.369%0.68573%0.728SS**THydrogen-bonded Turntrans-61.8160.5174.248.80000113.1
570E40.8Very low45.1Very low188 Ų188126 Ų12688%0.87971%0.712SS**THydrogen-bonded Turntrans96.9-8.9168.1-51.6-16014200119.4
571Q39.1Very low46.7Very low177 Ų177127.7 Ų127.783%0.82772%0.721SS**  trans-93-3.4-179.5-68.5-166.3-12.600116.5K573Q571-K573 PolarHBondContact O-N 3.07Å
572D42.5Very low48.4Very low156 Ų156125.6 Ų125.683%0.83470%0.704SS**THydrogen-bonded Turntrans-67.412.6-164.3-65.5-43.7000118.1
573K53.6Low50.4Low206 Ų206127.1 Ų127.190%0.89670%0.704SS**THydrogen-bonded Turntrans-109.9-6.1-175.2-70.9-175.8-179.8174.60116.1Q571Q571-K573 PolarHBondContact O-N 3.07Å
574R52.9Low52.2Low155 Ų155125.2 Ų125.259%0.58568%0.68SS**SBendtrans-110.2141.8-179.5-66.2-175.3178.5174.10.9112.2E586R574-E586 IonicContact CZ-OE1 2.8Å; R574-E586 IonicContact NE-OE1 3.49Å; R574-E586 IonicContact NH2-OE1 2.58Å; R574-E586 PolarHBondContact NH2-OE1 2.94Å
575N62.7Low54.1Low20 Ų20123 Ų12311%0.10767%0.665CS.*  trans-67.9129174.7-81.712.5000109.3L406 A407 K410 L577 L578L406-N575 PolarHBondContact O-ND2 2.93Å; L406-N575 VanDerWaalsContact O-ND2 3.13Å; A407-N575 PolarHBondContact O-ND2 2.95Å; K410-N575 WeakPolarHBondContact CD-OD1 3.41Å; K410-N575 WeakPolarHBondContact CE-OD1 3.5Å; K410-N575 WeakPolarHBondContact CG-OD1 3.34Å; N575-L577 PolarHBondContact O-N 2.96Å; N575-L578 HydrophobicContact CB-CB 4.38Å; N575-L578 HydrophobicContact CB-CD1 4.1Å; N575-L578 PolarHBondContact O-N 2.91Å; N575-L578 VanDerWaalsContact O-N 3.09Å
576P68.3Low56Low102 Ų102122.3 Ų122.366%0.66264%0.644SS**THydrogen-bonded Turntrans-68-8.1-178.228.1-35.9000114.2
577L65.1Low58.2Low97 Ų97119.9 Ų119.951%0.50863%0.631SS.*THydrogen-bonded Turntrans-96.2-0176.9-60.6177.7000113.7I409 N575I409-L577 HydrophobicContact CG2-CD1 4.34Å; N575-L577 PolarHBondContact O-N 2.96Å
578L60.7Low60.3Low91 Ų91117.7 Ų117.748%0.47661%0.613SS.*  trans-120.9106.1-179.5-85.7154.3000109.6L406 N575L406-L578 HydrophobicContact CB-CD1 4.42Å; L406-L578 HydrophobicContact CB-CG 4.37Å; N575-L578 HydrophobicContact CB-CB 4.38Å; N575-L578 HydrophobicContact CB-CD1 4.1Å; N575-L578 PolarHBondContact O-N 2.91Å; N575-L578 VanDerWaalsContact O-N 3.09Å
579V62.9Low62.4Low129 Ų129114 Ų11478%0.78259%0.586SS**  trans-101.8122.1175.5-177.90000108.4
580D64.5Low64.5Low92 Ų92114.8 Ų114.849%0.49258%0.577SS.*  trans-69.2134.6171.4-89.27.2000109.8D582 K589D580-D582 VanDerWaalsContact C-N 3.34Å; D580-K589 IonicContact OD2-NZ 3.79Å; D580-K589 PolarHBondContact OD2-NZ 3.33Å
581L69.8Low66.4Low183 Ų183112.2 Ų112.296%0.95856%0.563SS**SBendtrans-87.32.6177.2-73.5167.1000114.2
582D68.3Low68.3Low66 Ų66110.3 Ų110.335%0.35355%0.548SS..  trans-123.7115.7-180177.17.4000108.3D580 S584 K589 R592D580-D582 VanDerWaalsContact C-N 3.34Å; D582-S584 PolarHBondContact O-N 3.28Å; D582-S584 WeakPolarHBondContact OD1-CB 3.49Å; D582-S584 PolarHBondContact OD1-N 2.78Å; D582-S584 PolarHBondContact OD1-OG 2.91Å; D582-S584 PolarHBondContact OD2-OG 3.23Å; D582-K589 WeakPolarHBondContact O-CE 3.4Å; D582-K589 PolarHBondContact O-NZ 2.67Å; D582-R592 IonicContact OD2-NH1 2.78Å; D582-R592 PolarHBondContact OD2-NH1 3.47Å
583D73.4Confident70Confident167 Ų167110.8 Ų110.889%0.89354%0.543SS*.  trans-74.8-3.2-178.8-63.6-39.3000113.2
584S72.1Confident71.2Confident34 Ų34105 Ų10524%0.23852%0.521CS..SBendtrans-58.5140.7178.1-57.10000112.7D582 K589 R592D582-S584 PolarHBondContact O-N 3.28Å; D582-S584 WeakPolarHBondContact OD1-CB 3.49Å; D582-S584 PolarHBondContact OD1-N 2.78Å; D582-S584 PolarHBondContact OD1-OG 2.91Å; D582-S584 PolarHBondContact OD2-OG 3.23Å; S584-K589 WeakPolarHBondContact O-CE 3.44Å; S584-K589 PolarHBondContact O-NZ 3.42Å; S584-R592 PolarHBondContact OG-NH1 3.14Å
585E79.9Confident72.5Confident133 Ų133102.7 Ų102.762%0.62152%0.52SS*.  trans-52.9146.2176-67.1-177.5179.500113.2I587 V588 K589E585-I587 PolarHBondContact O-N 3.37Å; E585-I587 VanDerWaalsContact O-N 3.12Å; E585-V588 HydrophobicContact CB-CG2 4.24Å; E585-V588 WeakPolarHBondContact O-CB 3.34Å; E585-V588 PolarHBondContact O-N 2.66Å; E585-K589 PolarHBondContact O-N 3.06Å
586E70.1Confident73.3Confident88 Ų88106.3 Ų106.341%0.41155%0.547SS..Hα-helixtrans-60.8-27.8-177.1-134.5-172.8-109.100113.1R574 K590R574-E586 IonicContact CZ-OE1 2.8Å; R574-E586 IonicContact NE-OE1 3.49Å; R574-E586 IonicContact NH2-OE1 2.58Å; R574-E586 PolarHBondContact NH2-OE1 2.94Å; E586-K590 WeakPolarHBondContact O-CB 3.38Å; E586-K590 VanDerWaalsContact O-CG 3.26Å; E586-K590 WeakPolarHBondContact O-CG 3.43Å; E586-K590 PolarHBondContact O-N 2.79Å; E586-K590 WeakPolarHBondContact OE2-CE 3.26Å; E586-K590 IonicContact OE2-NZ 3.39Å; E586-K590 PolarHBondContact OE2-NZ 3.07Å
587I77.3Confident73.6Confident109 Ų109109.3 Ų109.356%0.55955%0.545SS*.Hα-helixtrans-67.2-42.9175.5-58.3170.9000110.5E585 K590 K591E585-I587 PolarHBondContact O-N 3.37Å; E585-I587 VanDerWaalsContact O-N 3.12Å; I587-K590 PolarHBondContact O-N 3.19Å; I587-K591 PolarHBondContact O-N 3.18Å
588V77Confident74Confident55 Ų55109.8 Ų109.833%0.33354%0.544SS..Hα-helixtrans-68.2-42.7177.5-179.50000110.4E585 K590 K591 R592E585-V588 HydrophobicContact CB-CG2 4.24Å; E585-V588 WeakPolarHBondContact O-CB 3.34Å; E585-V588 PolarHBondContact O-N 2.66Å; V588-K590 PolarHBondContact O-N 2.85Å; V588-K591 PolarHBondContact O-N 2.75Å; V588-R592 WeakPolarHBondContact O-CG 3.11Å; V588-R592 PolarHBondContact O-N 3.37Å
589K77.3Confident74.6Confident47 Ų47107.9 Ų107.920%0.20455%0.545CS..Hα-helixtrans-58.9-45173.6-71.2173.8173.6166.70111.8D580 D582 S584 E585 K593D580-K589 IonicContact OD2-NZ 3.79Å; D580-K589 PolarHBondContact OD2-NZ 3.33Å; D582-K589 WeakPolarHBondContact O-CE 3.4Å; D582-K589 PolarHBondContact O-NZ 2.67Å; S584-K589 WeakPolarHBondContact O-CE 3.44Å; S584-K589 PolarHBondContact O-NZ 3.42Å; E585-K589 PolarHBondContact O-N 3.06Å; K589-K593 WeakPolarHBondContact O-CB 3.49Å; K589-K593 PolarHBondContact O-N 3.18Å; K589-K593 VanDerWaalsContact O-N 3.15Å
590K76.1Confident75.3Confident115 Ų115103.2 Ų103.250%0.552%0.519SS..Hα-helixtrans-63.1-46.4176.5-76.1166.8-171.8164.30111.8E586 I587 V588 K593 I594E586-K590 WeakPolarHBondContact O-CB 3.38Å; E586-K590 VanDerWaalsContact O-CG 3.26Å; E586-K590 WeakPolarHBondContact O-CG 3.43Å; E586-K590 PolarHBondContact O-N 2.79Å; E586-K590 WeakPolarHBondContact OE2-CE 3.26Å; E586-K590 IonicContact OE2-NZ 3.39Å; E586-K590 PolarHBondContact OE2-NZ 3.07Å; I587-K590 PolarHBondContact O-N 3.19Å; V588-K590 PolarHBondContact O-N 2.85Å; K590-K593 PolarHBondContact O-N 3Å; K590-I594 WeakPolarHBondContact O-CB 3.41Å; K590-I594 WeakPolarHBondContact O-CD1 3.48Å; K590-I594 VanDerWaalsContact O-CG1 3.25Å; K590-I594 WeakPolarHBondContact O-CG1 3.41Å; K590-I594 PolarHBondContact O-N 3Å
591K79.8Confident75.7Confident135 Ų135105.1 Ų105.159%0.58753%0.529SS*.Hα-helixtrans-57-55.6175.8-78.1-175.4175.1-176.40112.3I587 V588 K593 I594 D595I587-K591 PolarHBondContact O-N 3.18Å; V588-K591 PolarHBondContact O-N 2.75Å; K591-K593 PolarHBondContact O-N 3.31Å; K591-K593 VanDerWaalsContact O-N 3.13Å; K591-I594 WeakPolarHBondContact O-CA 3.41Å; K591-I594 WeakPolarHBondContact O-CB 3.47Å; K591-I594 PolarHBondContact O-N 3.24Å; K591-D595 VanDerWaalsContact O-CG 3.27Å; K591-D595 PolarHBondContact O-N 3.09Å
592R80.9Confident75.7Confident137 Ų137103.7 Ų103.752%0.51752%0.517SS..Hα-helixtrans-53.1-39.1177.7-70.2178.8-174.9152.13.9112.8D582 S584 V588 S596D582-R592 IonicContact OD2-NH1 2.78Å; D582-R592 PolarHBondContact OD2-NH1 3.47Å; S584-R592 PolarHBondContact OG-NH1 3.14Å; V588-R592 WeakPolarHBondContact O-CG 3.11Å; V588-R592 PolarHBondContact O-N 3.37Å; R592-S596 VanDerWaalsContact O-CB 3.32Å; R592-S596 WeakPolarHBondContact O-CB 3.25Å; R592-S596 PolarHBondContact O-N 2.71Å
593K76.7Confident75.8Confident166 Ų166102 Ų10272%0.72251%0.508SS*.Hα-helixtrans-73.2-33.2-179.6-154.6172.5-168.7176.40112.7K589 K590 K591 W597K589-K593 WeakPolarHBondContact O-CB 3.49Å; K589-K593 PolarHBondContact O-N 3.18Å; K589-K593 VanDerWaalsContact O-N 3.15Å; K590-K593 PolarHBondContact O-N 3Å; K591-K593 PolarHBondContact O-N 3.31Å; K591-K593 VanDerWaalsContact O-N 3.13Å; K593-W597 WeakPolarHBondContact O-CB 3.3Å; K593-W597 PolarHBondContact O-N 2.69Å
594I78.6Confident75.6Confident84 Ų8499.4 Ų99.443%0.43149%0.491SS..Hα-helixtrans-71.5-46.7173.5-70.7164.4000110.3K590 K591 S596 W597 F598K590-I594 WeakPolarHBondContact O-CB 3.41Å; K590-I594 WeakPolarHBondContact O-CD1 3.48Å; K590-I594 VanDerWaalsContact O-CG1 3.25Å; K590-I594 WeakPolarHBondContact O-CG1 3.41Å; K590-I594 PolarHBondContact O-N 3Å; K591-I594 WeakPolarHBondContact O-CA 3.41Å; K591-I594 WeakPolarHBondContact O-CB 3.47Å; K591-I594 PolarHBondContact O-N 3.24Å; I594-S596 VanDerWaalsContact C-N 3.34Å; I594-S596 PolarHBondContact O-N 3.2Å; I594-W597 WeakPolarHBondContact O-CA 3.43Å; I594-W597 WeakPolarHBondContact O-CB 3.27Å; I594-W597 PolarHBondContact O-N 3.22Å; I594-F598 HydrophobicContact CG2-CD2 3.59Å; I594-F598 HydrophobicContact CG2-CE2 3.52Å; I594-F598 WeakPolarHBondContact O-CD2 3.34Å; I594-F598 PolarHBondContact O-N 2.94Å
595D81.1Confident75.4Confident106 Ų106105.3 Ų105.357%0.56751%0.514SS*.Hα-helixtrans-60.5-43.5178.2-60.9-31.7000111.2K591 W597 F598 G599K591-D595 VanDerWaalsContact O-CG 3.27Å; K591-D595 PolarHBondContact O-N 3.09Å; D595-W597 PolarHBondContact O-N 3.27Å; D595-F598 PolarHBondContact O-N 3.41Å; D595-G599 PolarHBondContact O-N 2.93Å
596S79.6Confident74.7Confident96 Ų96105.5 Ų105.567%0.67152%0.518SS*.Hα-helixtrans-68-16174.7-172.70000114R592 I594R592-S596 VanDerWaalsContact O-CB 3.32Å; R592-S596 WeakPolarHBondContact O-CB 3.25Å; R592-S596 PolarHBondContact O-N 2.71Å; I594-S596 VanDerWaalsContact C-N 3.34Å; I594-S596 PolarHBondContact O-N 3.2Å
597W75.1Confident74.3Confident166 Ų166106.9 Ų106.963%0.62953%0.528SS*.Hα-helixtrans-89.5-43.4177.3-163.246.2000110.6K593 I594 D595 G599 S600 I603K593-W597 WeakPolarHBondContact O-CB 3.3Å; K593-W597 PolarHBondContact O-N 2.69Å; I594-W597 WeakPolarHBondContact O-CA 3.43Å; I594-W597 WeakPolarHBondContact O-CB 3.27Å; I594-W597 PolarHBondContact O-N 3.22Å; D595-W597 PolarHBondContact O-N 3.27Å; W597-G599 PolarHBondContact O-N 3.43Å; W597-S600 WeakPolarHBondContact O-CB 3.36Å; W597-S600 PolarHBondContact O-N 3.49Å; W597-S600 VanDerWaalsContact O-N 3.13Å; W597-S600 PolarHBondContact O-OG 3.39Å; W597-I603 HydrophobicContact CD2-CD1 3.76Å; W597-I603 HydrophobicContact CG-CD1 3.87Å; W597-I603 HydrophobicContact CZ2-CD1 3.91Å; W597-I603 VanDerWaalsContact NE1-CD1 3.25Å
598F72.5Confident73.4Confident107 Ų107104.1 Ų104.147%0.46952%0.521SS..Hα-helixtrans-66.5-20.6170.5-76.6-65.1000113.8I594 D595 S600 I603 Q604I594-F598 HydrophobicContact CG2-CD2 3.59Å; I594-F598 HydrophobicContact CG2-CE2 3.52Å; I594-F598 WeakPolarHBondContact O-CD2 3.34Å; I594-F598 PolarHBondContact O-N 2.94Å; D595-F598 PolarHBondContact O-N 3.41Å; F598-S600 VanDerWaalsContact C-N 3.28Å; F598-S600 PolarHBondContact O-N 2.95Å; F598-I603 HydrophobicContact CD1-CG2 4.49Å; F598-Q604 PolarHBondContact O-NE2 3.21Å
599G74.4Confident71.6Confident50 Ų50107.7 Ų107.752%0.51555%0.546SS..THydrogen-bonded Turntrans-79.83.3170.700000115.4D595 W597D595-G599 PolarHBondContact O-N 2.93Å; W597-G599 PolarHBondContact O-N 3.43Å
600S76.2Confident70.1Confident32 Ų32113.3 Ų113.322%0.22458%0.577CS.*  trans-89.9128.5177.165.50000112.1W597 F598 E602 I603 Q604W597-S600 WeakPolarHBondContact O-CB 3.36Å; W597-S600 PolarHBondContact O-N 3.49Å; W597-S600 VanDerWaalsContact O-N 3.13Å; W597-S600 PolarHBondContact O-OG 3.39Å; F598-S600 VanDerWaalsContact C-N 3.28Å; F598-S600 PolarHBondContact O-N 2.95Å; S600-E602 PolarHBondContact O-N 3.33Å; S600-I603 PolarHBondContact O-N 3.01Å; S600-Q604 PolarHBondContact O-N 2.94Å
601D72.9Confident68.5Low132 Ų132117.4 Ų117.471%0.70659%0.594SS**Hα-helixtrans-53.8-38.4-176.9-60.3-21.4000112.2I603 Q604 E605D601-I603 PolarHBondContact O-N 2.96Å; D601-Q604 PolarHBondContact O-N 3.28Å; D601-E605 PolarHBondContact O-N 2.55Å
602E70.5Confident66.2Low153 Ų153119.4 Ų119.472%0.71561%0.606SS**Hα-helixtrans-58.5-30.3178.3-59.4173.815900113.1S600 I606S600-E602 PolarHBondContact O-N 3.33Å; E602-I606 VanDerWaalsContact O-CD1 3.24Å; E602-I606 WeakPolarHBondContact O-CD1 3.33Å; E602-I606 VanDerWaalsContact O-CG1 3.26Å; E602-I606 WeakPolarHBondContact O-CG1 3.38Å
603I69.8Low64.1Low29 Ų29120.1 Ų120.115%0.14962%0.62CS.*Hα-helixtrans-92-30.8179.6-68.3-177000111.3W597 F598 S600 D601 E605 I606 L607W597-I603 HydrophobicContact CD2-CD1 3.76Å; W597-I603 HydrophobicContact CG-CD1 3.87Å; W597-I603 HydrophobicContact CZ2-CD1 3.91Å; W597-I603 VanDerWaalsContact NE1-CD1 3.25Å; F598-I603 HydrophobicContact CD1-CG2 4.49Å; S600-I603 PolarHBondContact O-N 3.01Å; D601-I603 PolarHBondContact O-N 2.96Å; I603-E605 VanDerWaalsContact C-N 3.32Å; I603-I606 PolarHBondContact O-N 2.93Å; I603-L607 HydrophobicContact CG2-CD1 3.73Å; I603-L607 WeakPolarHBondContact O-CD1 3.35Å; I603-L607 PolarHBondContact O-N 2.9Å
604Q70Confident62Low114 Ų114120.1 Ų120.153%0.53362%0.623SS.*Hα-helixtrans-67.3-34.9172.4-64-1718.900111.8F598 S600 D601 I606 L607 A608F598-Q604 PolarHBondContact O-NE2 3.21Å; S600-Q604 PolarHBondContact O-N 2.94Å; D601-Q604 PolarHBondContact O-N 3.28Å; Q604-I606 VanDerWaalsContact C-N 3.31Å; Q604-I606 PolarHBondContact O-N 3.13Å; Q604-L607 PolarHBondContact O-N 2.82Å; Q604-A608 PolarHBondContact O-N 3.33Å
605E68.5Low59.9Low158 Ų158123.6 Ų123.674%0.73864%0.642SS**Hα-helixtrans-67.5-29.5173.2-163.7170.3-14500112.5D601 I603D601-E605 PolarHBondContact O-N 2.55Å; I603-E605 VanDerWaalsContact C-N 3.32Å
606I63.6Low57.5Low137 Ų137126.2 Ų126.270%0.70366%0.655SS**Hα-helixtrans-81-31.2176.1-66.8168.1000112.6E602 I603 Q604E602-I606 VanDerWaalsContact O-CD1 3.24Å; E602-I606 WeakPolarHBondContact O-CD1 3.33Å; E602-I606 VanDerWaalsContact O-CG1 3.26Å; E602-I606 WeakPolarHBondContact O-CG1 3.38Å; I603-I606 PolarHBondContact O-N 2.93Å; Q604-I606 VanDerWaalsContact C-N 3.31Å; Q604-I606 PolarHBondContact O-N 3.13Å
607L63.1Low55.1Low117 Ų117126.9 Ų126.961%0.61366%0.659SS**Hα-helixtrans-82.4-9.5177.1-94.887.2000114.2I603 Q604I603-L607 HydrophobicContact CG2-CD1 3.73Å; I603-L607 WeakPolarHBondContact O-CD1 3.35Å; I603-L607 PolarHBondContact O-N 2.9Å; Q604-L607 PolarHBondContact O-N 2.82Å
608A57Low53Low50 Ų50127.8 Ų127.841%0.41367%0.673SS.*SBendtrans-69.5123.6175.900000110.9Q604 L610Q604-A608 PolarHBondContact O-N 3.33Å; A608-L610 PolarHBondContact O-N 3.04Å
609P40.4Very low51.2Low131 Ų131128.1 Ų128.185%0.85168%0.683SS**  trans-73.997.2-176.929-34000110.9K611P609-K611 PolarHBondContact O-N 3.03Å
610L45.5Very low49.2Very low164 Ų164134.3 Ų134.386%0.85970%0.701SS**PPolyproline II helixtrans-73.2117.4174.1-71173.2000110.3A608A608-L610 PolarHBondContact O-N 3.04Å
611K41.9Very low46.9Very low201 Ų201137.7 Ų137.787%0.87472%0.724SS**PPolyproline II helixtrans-62.6152174.6-71.3177.6176.3177.10111P609 D613P609-K611 PolarHBondContact O-N 3.03Å; K611-D613 PolarHBondContact O-N 3.25Å
612E32.4Very low45Very low178 Ų178137.9 Ų137.983%0.83273%0.731SS**PPolyproline II helixtrans-47125.9173.1-60159.8142.400110.4
613D36.2Very low43Very low151 Ų151140.2 Ų140.281%0.80774%0.738SS**  -174.6155.8103.9-94.2-28.3000114.3K611K611-D613 PolarHBondContact O-N 3.25Å
614E32.5Very low41.1Very low166 Ų166148.3 Ų148.378%0.77677%0.773SS**  trans-39.7132.7175.4-47.6-175.7143.200114.9
615N33.9Very low39.1Very low158 Ų158147.5 Ų147.585%0.84578%0.779SS**  -176120.9114.6-100-68.9000112.9
616I31.3Very low37.4Very low161 Ų161149.4 Ų149.483%0.82679%0.785SS**  trans-86.1144.1173.9-69.6164.5000109.7
617S29.4Very low35.7Very low109 Ų109147 Ų14776%0.76278%0.781SS**  trans73.792.4165.771.50000118.6
618M30.7Very low34.1Very low186 Ų186147.8 Ų147.892%0.91679%0.786SS**  trans-151.7146.4143.5-130.6-175.3-177.300114.7
619V35.3Very low33.2Very low114 Ų114153.4 Ų153.469%0.69180%0.803SS**  trans67.591.4160.7-164.40000118.7
620M32Very low32.8Very low179 Ų179152.1 Ų152.188%0.88280%0.797SS**  trans-63.6148138.8-80.7-100.5-76.700110.7
621S28.1Very low32.3Very low103 Ų103148.7 Ų148.772%0.7279%0.787SS**  trans84.4113.2163.376.40000120.2
622T32.7Very low31.9Very low137 Ų137145.8 Ų145.884%0.8478%0.781SS**  trans175110.1134.534.30000108.9
623K29.5Very low31.9Very low201 Ų201142.6 Ų142.687%0.87477%0.773SS**  36.4106.397.4-75.8-172.8175.5-179.40116.6
624K28.7Very low31.9Very low200 Ų200141.4 Ų141.487%0.8777%0.772SS**  178.1124.7110.6-101.1175.5175.31780115.7
625S29.2Very low32Very low97 Ų97138.6 Ų138.668%0.67877%0.765SS**  trans0.8140139.257.10000122
626K31.4Very low32Very low197 Ų197139.8 Ų139.886%0.85776%0.763SS**  trans-175.1118.6132.1-104171.2-179-173.70109.1
627S28.7Very low31.9Very low87 Ų87139.8 Ų139.861%0.60876%0.76SS**  73.9144.787.269.30000113.8
628D30.1Very low32Very low134 Ų134144.6 Ų144.672%0.71777%0.767SS**  cis-162.7149.2-18.2-84.9-36.5000104.7
629H36.4Very low31.9Very low168 Ų168144.1 Ų144.178%0.77876%0.759SS**  173.2133.891.5-92.4-37.9000107.2
630S32.8Very low31.5Very low104 Ų104148.8 Ų148.873%0.72777%0.765SS**  69.7136.493.3109.80000114.3
631S35.4Very low31.4Very low92 Ų92147.4 Ų147.464%0.64376%0.756SS**  cis-162.815818.663.50000113.5
632N32.7Very low31.3Very low139 Ų139152.3 Ų152.374%0.74377%0.765SS**  trans64.5143.2138.9-66.4-6.4000121
633T33.7Very low31.1Very low111 Ų111155.1 Ų155.168%0.68177%0.765SS**  cis-169.5155.21.814.90000112.9
634V35.6Very low31.1Very low127 Ų127153.3 Ų153.377%0.7776%0.763SS**  trans73.9138.3138.7160.20000120.2
635V33.9Very low31.1Very low106 Ų106149.5 Ų149.564%0.64276%0.756SS**  cis-173165.6-17.289.60000113.1
636K33.9Very low31Very low184 Ų184151.5 Ų151.580%0.876%0.76SS**  trans67.9123.7165.7-74156.5-162.5165.50118
637E28.8Very low30.8Very low161 Ų161149.3 Ų149.375%0.75276%0.757SS**  cis74.6111.237.9-77.2-148.5120.400118.5
638K32.6Very low30.9Very low209 Ų209153.9 Ų153.991%0.90977%0.769SS**  trans174.8115.6135.4-95.1165.8-175.3-179.50106.7
639K27.4Very low30.8Very low176 Ų176154 Ų15477%0.76577%0.774SS**  cis80.3132.140.5-148.5176.3-159.7165.20113
640R28.6Very low30.5Very low212 Ų212152.5 Ų152.580%0.877%0.77SS**  trans96.6144179.5-61-170.6148.2149.40.9116.4
641E28.6Very low30.2Very low150 Ų150153.1 Ų153.170%0.70177%0.766SS**  cis-158.6155.2-17.6-117.5157-14700109.2
642K26.9Very low30Very low207 Ų207156.1 Ų156.190%0.977%0.774SS**  trans-85.8133168.8-72.4174.2176.6172.80109.4
643K28.1Very low29.9Very low196 Ų196155.8 Ų155.885%0.85277%0.768SS**  trans-140.8135.8156.9-107.8178.4-178.8178.20111.9
644I29.2Very low29.6Very low163 Ų163157 Ų15784%0.83677%0.77SS**  trans-96124.7173.3-64.2160000105.9
645V29Very low29.4Very low119 Ų119159 Ų15972%0.72178%0.776SS**  trans-144.7110.3162.6-176.50000109.1
646N26.8Very low29Very low140 Ų140159 Ų15975%0.74978%0.78SS**  trans37.6147.7141.6-54.3-1.6000123.2
647D28.5Very low29Very low151 Ų151157.2 Ų157.281%0.80778%0.784SS**  trans-43.5144164.7-50.8-70.9000114.4
648E30.1Very low29Very low182 Ų182154.5 Ų154.585%0.8578%0.783SS**  trans-148.2128.8136.7-123.9166.4-139.900111.1
649V28.1Very low29.2Very low137 Ų137150.3 Ų150.383%0.8378%0.78SS**  trans-83.2112.9179.8174.10000108.2
650I30.8Very low29.4Very low136 Ų136146.6 Ų146.670%0.69778%0.776SS**  trans-104.492.8170.2-59-176.6000109.5L652I650-L652 HydrophobicContact CG2-CD1 4.11Å; I650-L652 HydrophobicContact CG2-CG 4.02Å
651N26.1Very low29.9Very low118 Ų118142.6 Ų142.663%0.63178%0.781SS**  trans-67.4123.8162.4-169.325.8000108.2Q653N651-Q653 PolarHBondContact ND2-OE1 3.45Å
652L31Very low30Very low155 Ų155144 Ų14481%0.81279%0.787SS**  trans-122.480.6173.1-91.2166.2000109.7I650I650-L652 HydrophobicContact CG2-CD1 4.11Å; I650-L652 HydrophobicContact CG2-CG 4.02Å
653Q29.6Very low30.6Very low132 Ų132142 Ų14262%0.61779%0.785SS**  trans-72.5148.1154.4-71.9174.5-94.400109.5N651N651-Q653 PolarHBondContact ND2-OE1 3.45Å
654D28.6Very low31Very low135 Ų135138.5 Ų138.572%0.72278%0.782SS**  trans39.9103.7146.3-50.2-32.8000118.2
655N31.8Very low31.4Very low169 Ų169138.7 Ų138.790%0.90478%0.781SS**  -153.4142.4126.2-111.4-42.1000114.7
656C25.6Very low31.9Very low108 Ų108138.1 Ų138.173%0.7378%0.78SS**  trans-82.6135.4-178.1173.10000111.5
657V32.4Very low32.5Very low145 Ų145141.6 Ų141.688%0.87979%0.789SS**  trans-137.9130144-175.80000109.1
658S29.6Very low33.4Very low104 Ų104139.9 Ų139.973%0.72778%0.784SS**  trans-77.9138.4-178.5-1710000112.4
659S35.8Very low34.1Very low121 Ų121134.1 Ų134.185%0.84676%0.764SS**  trans-152.5130.1149.8-169.40000109.9
660S31.8Very low35.3Very low99 Ų99131.7 Ų131.769%0.69275%0.753SS**  trans-89.6139-162.645.50000113.8
661S38.7Very low36.9Very low128 Ų128130.6 Ų130.690%0.89574%0.744SS**  trans-166.2112151-80.60000109.2
662E32.2Very low38.6Very low179 Ų179132.2 Ų132.284%0.83675%0.746SS**  trans-93.2132.7-164.2-54.8179.4144.700113.6
663I39.4Very low40.3Very low164 Ų164129.9 Ų129.984%0.84173%0.734SS**  trans-142.7119.2150.2-54-178.4000108.4
664P36.1Very low42.1Very low123 Ų123129.9 Ų129.980%0.79973%0.734SS**PPolyproline II helixtrans-85.4134.5-169.8-7.324.9000114.6
665M37.4Very low44.1Very low167 Ų167129.7 Ų129.782%0.82373%0.726SS**PPolyproline II helixtrans-95.1144.2165.6-89.5-81.5-64.800111
666P40.6Very low45.8Very low108 Ų108124.2 Ų124.270%0.70170%0.701SS**PPolyproline II helixtrans-71.9131.1-175.328.3-34.5000112.8V668P666-V668 PolarHBondContact O-N 3.15Å
667K39.3Very low47.8Very low212 Ų212123 Ų12392%0.92269%0.687SS**PPolyproline II helixtrans-69.5116.6179.4-65.5176.4179.8176.10111.2
668V45.7Very low49.6Very low116 Ų116118.8 Ų118.870%0.70366%0.658SS**PPolyproline II helixtrans-86127.6164.4178.80000108.5P666 S670P666-V668 PolarHBondContact O-N 3.15Å; V668-S670 PolarHBondContact O-N 2.81Å
669S45.1Very low51.3Low61 Ų61122.8 Ų122.843%0.42766%0.657SS.*PPolyproline II helixtrans-51.6126.8179.655.70000112.9E671 K672S669-E671 VanDerWaalsContact C-N 3.28Å; S669-E671 PolarHBondContact O-N 2.95Å; S669-K672 PolarHBondContact O-N 2.88Å; S669-K672 VanDerWaalsContact O-N 3.12Å
670S54.6Low52.8Low86 Ų86121.3 Ų121.360%0.60164%0.638SS**Hα-helixtrans-49.3-44.6179.944.60000113.3V668 K672 L673 E674V668-S670 PolarHBondContact O-N 2.81Å; S670-K672 VanDerWaalsContact C-N 3.27Å; S670-K672 PolarHBondContact O-N 3.4Å; S670-K672 VanDerWaalsContact O-N 3.16Å; S670-L673 WeakPolarHBondContact O-CA 3.13Å; S670-L673 WeakPolarHBondContact O-CB 3.41Å; S670-L673 PolarHBondContact O-N 2.96Å; S670-E674 PolarHBondContact O-N 3.29Å
671E64Low54.5Low112 Ų112125.6 Ų125.652%0.52364%0.639SS.*Hα-helixtrans-53.2-38.2-179.9-65.3-172.1-16700114.4S669 L673 E674 K675S669-E671 VanDerWaalsContact C-N 3.28Å; S669-E671 PolarHBondContact O-N 2.95Å; E671-L673 VanDerWaalsContact C-N 3.26Å; E671-L673 PolarHBondContact O-N 3.09Å; E671-E674 PolarHBondContact O-N 2.81Å; E671-K675 VanDerWaalsContact O-CB 3.29Å; E671-K675 WeakPolarHBondContact O-CB 3.11Å; E671-K675 WeakPolarHBondContact O-CD 3.43Å; E671-K675 VanDerWaalsContact O-CG 3.25Å; E671-K675 WeakPolarHBondContact O-CG 3.33Å; E671-K675 PolarHBondContact O-N 3.09Å; E671-K675 IonicContact OE2-NZ 3.15Å; E671-K675 PolarHBondContact OE2-NZ 2.92Å
672K62.4Low55.8Low152 Ų152124 Ų12466%0.66161%0.614SS**Hα-helixtrans-67.6-32.3179.7-81-178.4176.6170.90111.3S669 S670 S676S669-K672 PolarHBondContact O-N 2.88Å; S669-K672 VanDerWaalsContact O-N 3.12Å; S670-K672 VanDerWaalsContact C-N 3.27Å; S670-K672 PolarHBondContact O-N 3.4Å; S670-K672 VanDerWaalsContact O-N 3.16Å; K672-S676 WeakPolarHBondContact O-CB 3.4Å; K672-S676 PolarHBondContact O-N 2.75Å
673L64.7Low57.4Low106 Ų106122 Ų12256%0.55561%0.608SS**Hα-helixtrans-75.5-43.1179.3-152.2150.5000110S670 E671 S676 L677S670-L673 WeakPolarHBondContact O-CA 3.13Å; S670-L673 WeakPolarHBondContact O-CB 3.41Å; S670-L673 PolarHBondContact O-N 2.96Å; E671-L673 VanDerWaalsContact C-N 3.26Å; E671-L673 PolarHBondContact O-N 3.09Å; L673-S676 WeakPolarHBondContact O-CB 3.41Å; L673-S676 PolarHBondContact O-N 3.38Å; L673-S676 PolarHBondContact O-OG 3.19Å; L673-L677 HydrophobicContact CD2-CD1 3.76Å; L673-L677 HydrophobicContact CD2-CG 4.21Å; L673-L677 WeakPolarHBondContact O-CG 3.39Å; L673-L677 PolarHBondContact O-N 2.98Å
674E67.9Low58.8Low132 Ų132120 Ų12062%0.61760%0.599SS**Hα-helixtrans-62-49.4172.9-67.9-170.2146.400112.9S670 E671 S676 L677 H678S670-E674 PolarHBondContact O-N 3.29Å; E671-E674 PolarHBondContact O-N 2.81Å; E674-S676 PolarHBondContact O-N 2.78Å; E674-L677 PolarHBondContact O-N 2.78Å; E674-H678 WeakPolarHBondContact O-CB 3.46Å; E674-H678 PolarHBondContact O-N 3.34Å
675K71.5Confident60.9Low132 Ų132119.8 Ų119.857%0.57458%0.583SS**Hα-helixtrans-56-34.4174.5-73.2165.2-179.71630111.2E671 R679E671-K675 VanDerWaalsContact O-CB 3.29Å; E671-K675 WeakPolarHBondContact O-CB 3.11Å; E671-K675 WeakPolarHBondContact O-CD 3.43Å; E671-K675 VanDerWaalsContact O-CG 3.25Å; E671-K675 WeakPolarHBondContact O-CG 3.33Å; E671-K675 PolarHBondContact O-N 3.09Å; E671-K675 IonicContact OE2-NZ 3.15Å; E671-K675 PolarHBondContact OE2-NZ 2.92Å; K675-R679 WeakPolarHBondContact O-CB 3.11Å; K675-R679 PolarHBondContact O-N 3.43Å; K675-R679 VanDerWaalsContact O-N 3.08Å
676S66.3Low62.8Low53 Ų53116.5 Ų116.537%0.37157%0.573SS.*Hα-helixtrans-71-42.7173.888.80000113.6K672 L673 E674 R679 I680K672-S676 WeakPolarHBondContact O-CB 3.4Å; K672-S676 PolarHBondContact O-N 2.75Å; L673-S676 WeakPolarHBondContact O-CB 3.41Å; L673-S676 PolarHBondContact O-N 3.38Å; L673-S676 PolarHBondContact O-OG 3.19Å; E674-S676 PolarHBondContact O-N 2.78Å; S676-R679 WeakPolarHBondContact O-CB 3.16Å; S676-R679 PolarHBondContact O-N 3.47Å; S676-I680 WeakPolarHBondContact O-CG1 3.37Å; S676-I680 PolarHBondContact O-N 2.99Å
677L68.3Low64.6Low84 Ų84115.1 Ų115.144%0.4456%0.56SS.*Hα-helixtrans-66.8-40.7177.4-73.7172.9000111.3L673 E674 R679 I680 R681L673-L677 HydrophobicContact CD2-CD1 3.76Å; L673-L677 HydrophobicContact CD2-CG 4.21Å; L673-L677 WeakPolarHBondContact O-CG 3.39Å; L673-L677 PolarHBondContact O-N 2.98Å; E674-L677 PolarHBondContact O-N 2.78Å; L677-R679 VanDerWaalsContact C-N 3.33Å; L677-R679 PolarHBondContact O-N 2.94Å; L677-I680 PolarHBondContact O-N 3.06Å; L677-R681 WeakPolarHBondContact O-CG 3.17Å; L677-R681 PolarHBondContact O-N 3.12Å
678H70.7Confident66.7Low55 Ų55107.6 Ų107.626%0.25553%0.532SS..Hα-helixtrans-63.3-40.1175.1-149.4105.7000110.8H489 E674 R681 R682H489-H678 PolarHBondContact O-CE1 3.49Å; E674-H678 WeakPolarHBondContact O-CB 3.46Å; E674-H678 PolarHBondContact O-N 3.34Å; H678-R681 PolarHBondContact O-N 2.74Å; H678-R682 WeakPolarHBondContact O-CG 3.38Å; H678-R682 PolarHBondContact O-N 3.01Å
679R65.1Low68.4Low188 Ų188104.2 Ų104.271%0.70952%0.516SS*.Hα-helixtrans-61.8-43172.1-162.4-179.1-157.3-171.39.6112.7K675 S676 L677 R682 L683K675-R679 WeakPolarHBondContact O-CB 3.11Å; K675-R679 PolarHBondContact O-N 3.43Å; K675-R679 VanDerWaalsContact O-N 3.08Å; S676-R679 WeakPolarHBondContact O-CB 3.16Å; S676-R679 PolarHBondContact O-N 3.47Å; L677-R679 VanDerWaalsContact C-N 3.33Å; L677-R679 PolarHBondContact O-N 2.94Å; R679-R682 PolarHBondContact O-N 3.13Å; R679-L683 HydrophobicContact CG-CD1 4.48Å; R679-L683 WeakPolarHBondContact O-CG 3.49Å; R679-L683 PolarHBondContact O-N 3.16Å
680I66.6Low70.2Confident90 Ų90105.8 Ų105.846%0.46252%0.516SS..Hα-helixtrans-66-39.5176.5-67.6163.7000111S676 L677 L683 N684S676-I680 WeakPolarHBondContact O-CG1 3.37Å; S676-I680 PolarHBondContact O-N 2.99Å; L677-I680 PolarHBondContact O-N 3.06Å; I680-L683 PolarHBondContact O-N 3.26Å; I680-N684 PolarHBondContact O-N 3.17Å; I680-N684 PolarHBondContact O-ND2 2.9Å
681R69.2Low71.5Confident189 Ų189104.7 Ų104.771%0.71350%0.502SS*.Hα-helixtrans-62.4-47.8173.4-75176.7176.4165.9-0.8111.5L677 H678 L683 N684L677-R681 WeakPolarHBondContact O-CG 3.17Å; L677-R681 PolarHBondContact O-N 3.12Å; H678-R681 PolarHBondContact O-N 2.74Å; R681-L683 VanDerWaalsContact C-N 3.32Å; R681-L683 PolarHBondContact O-N 3.04Å; R681-N684 PolarHBondContact O-N 3.06Å; R681-N684 VanDerWaalsContact O-N 3.16Å
682R65.1Low72.4Confident96 Ų96105.1 Ų105.136%0.36250%0.499SS..Hα-helixtrans-57.5-41.6175.2-72.4-169.3-167.2158.916.1112.1E491 D493 H678 R679 N684E491-R682 VanDerWaalsContact C-NH2 3.35Å; E491-R682 VanDerWaalsContact CB-NH2 3.3Å; E491-R682 PolarHBondContact O-NE 3.11Å; E491-R682 VanDerWaalsContact O-NE 3.17Å; E491-R682 PolarHBondContact O-NH2 3.3Å; E491-R682 IonicContact OE2-NH2 3.9Å; D493-R682 VanDerWaalsContact N-NH1 3.19Å; D493-R682 PolarHBondContact O-NH1 3.18Å; D493-R682 VanDerWaalsContact O-NH1 3.1Å; H678-R682 WeakPolarHBondContact O-CG 3.38Å; H678-R682 PolarHBondContact O-N 3.01Å; R679-R682 PolarHBondContact O-N 3.13Å; R682-N684 VanDerWaalsContact C-N 3.31Å; R682-N684 PolarHBondContact O-N 2.96Å
683L65.4Low73.5Confident136 Ų13697.9 Ų97.971%0.71247%0.467SS*.Hα-helixtrans-70-20.3179-73.1171.1000114.7R679 I680 R681R679-L683 HydrophobicContact CG-CD1 4.48Å; R679-L683 WeakPolarHBondContact O-CG 3.49Å; R679-L683 PolarHBondContact O-N 3.16Å; I680-L683 PolarHBondContact O-N 3.26Å; R681-L683 VanDerWaalsContact C-N 3.32Å; R681-L683 PolarHBondContact O-N 3.04Å
684N69.5Low74.5Confident123 Ų12395.7 Ų95.766%0.65846%0.455SS*.THydrogen-bonded Turntrans-93.9-1.8-178.2-80.3-33.8000114.3I680 R681 R682I680-N684 PolarHBondContact O-N 3.17Å; I680-N684 PolarHBondContact O-ND2 2.9Å; R681-N684 PolarHBondContact O-N 3.06Å; R681-N684 VanDerWaalsContact O-N 3.16Å; R682-N684 VanDerWaalsContact C-N 3.31Å; R682-N684 PolarHBondContact O-N 2.96Å
685R78.9Confident75.3Confident118 Ų11890.8 Ų90.845%0.44544%0.437SS..SBendtrans-68.1136.7178-167.1-17470.2113.50.1111L687 E691R685-L687 PolarHBondContact O-N 3.01Å; R685-E691 IonicContact CZ-OE1 2.72Å; R685-E691 IonicContact CZ-OE2 3.73Å; R685-E691 IonicContact NH1-OE1 3.83Å; R685-E691 IonicContact NH2-OE1 3.68Å; R685-E691 PolarHBondContact NH2-OE1 3.31Å; R685-E691 IonicContact NH2-OE2 3.01Å; R685-E691 PolarHBondContact NH2-OE2 2.99Å
686P78.4Confident75.9Confident97 Ų9788 Ų8863%0.6343%0.432SS*.PPolyproline II helixtrans-63.4132171.726.5-34.6000111.3
687L79.2Confident76.7Confident79 Ų7987.9 Ų87.941%0.41442%0.423SS..PPolyproline II helixtrans-62.7138.2176.7-77.870.8000110.9R685 E691 R692 A695R685-L687 PolarHBondContact O-N 3.01Å; L687-E691 VanDerWaalsContact CA-OE2 3.3Å; L687-E691 WeakPolarHBondContact CA-OE2 3.29Å; L687-E691 HydrophobicContact CB-CB 3.98Å; L687-E691 HydrophobicContact CD2-CB 4.26Å; L687-E691 HydrophobicContact CG-CB 4.18Å; L687-R692 HydrophobicContact CB-CG 3.76Å; L687-R692 PolarHBondContact O-NE 3Å; L687-R692 PolarHBondContact O-NH2 3.4Å; L687-A695 HydrophobicContact CD2-CB 4.12Å
688T83.3Confident77.5Confident55 Ų5587 Ų8734%0.33742%0.419SS..PPolyproline II helixtrans-65.6166.4171.564.20000111.5E690 E691 R692T688-E690 VanDerWaalsContact C-N 3.27Å; T688-E690 PolarHBondContact O-N 3.02Å; T688-E691 WeakPolarHBondContact CG2-OE1 3.38Å; T688-E691 PolarHBondContact N-OE2 3.44Å; T688-E691 VanDerWaalsContact N-OE2 3.11Å; T688-E691 PolarHBondContact O-N 2.97Å; T688-E691 WeakPolarHBondContact OG1-CB 3.49Å; T688-E691 WeakPolarHBondContact OG1-CG 3.24Å; T688-E691 PolarHBondContact OG1-N 3.23Å; T688-E691 PolarHBondContact OG1-OE1 3.12Å; T688-R692 WeakPolarHBondContact O-CB 3.34Å; T688-R692 VanDerWaalsContact O-CG 3.26Å; T688-R692 WeakPolarHBondContact O-CG 3.31Å; T688-R692 PolarHBondContact O-N 2.87Å
689A80.5Confident78.1Confident44 Ų4491 Ų9136%0.36444%0.44SS..Hα-helixtrans-61.2-37.518000000112.5A693 I748A689-A693 PolarHBondContact O-N 3.05Å; A689-A693 VanDerWaalsContact O-N 3.16Å; A689-I748 HydrophobicContact CB-CG2 3.76Å
690E81.9Confident78.8Confident94 Ų9489.6 Ų89.644%0.43944%0.441SS..Hα-helixtrans-67.7-48.8174.9-63.2178171.800111.6T688 R692 A693 I694 I748T688-E690 VanDerWaalsContact C-N 3.27Å; T688-E690 PolarHBondContact O-N 3.02Å; E690-R692 VanDerWaalsContact C-N 3.27Å; E690-R692 PolarHBondContact O-N 2.96Å; E690-A693 WeakPolarHBondContact O-CB 3.43Å; E690-A693 PolarHBondContact O-N 2.61Å; E690-I694 WeakPolarHBondContact O-CG1 3.39Å; E690-I694 PolarHBondContact O-N 3.45Å; E690-I748 HydrophobicContact CG-CD1 4.15Å
691E83.6Confident79.6Confident63 Ų6387.7 Ų87.729%0.29444%0.436SS..Hα-helixtrans-59.2-37.1175.3-73156.2-137.900112.3R685 L687 T688 A693 I694 A695R685-E691 IonicContact CZ-OE1 2.72Å; R685-E691 IonicContact CZ-OE2 3.73Å; R685-E691 IonicContact NH1-OE1 3.83Å; R685-E691 IonicContact NH2-OE1 3.68Å; R685-E691 PolarHBondContact NH2-OE1 3.31Å; R685-E691 IonicContact NH2-OE2 3.01Å; R685-E691 PolarHBondContact NH2-OE2 2.99Å; L687-E691 VanDerWaalsContact CA-OE2 3.3Å; L687-E691 WeakPolarHBondContact CA-OE2 3.29Å; L687-E691 HydrophobicContact CB-CB 3.98Å; L687-E691 HydrophobicContact CD2-CB 4.26Å; L687-E691 HydrophobicContact CG-CB 4.18Å; T688-E691 WeakPolarHBondContact CG2-OE1 3.38Å; T688-E691 PolarHBondContact N-OE2 3.44Å; T688-E691 VanDerWaalsContact N-OE2 3.11Å; T688-E691 PolarHBondContact O-N 2.97Å; T688-E691 WeakPolarHBondContact OG1-CB 3.49Å; T688-E691 WeakPolarHBondContact OG1-CG 3.24Å; T688-E691 PolarHBondContact OG1-N 3.23Å; T688-E691 PolarHBondContact OG1-OE1 3.12Å; E691-A693 VanDerWaalsContact C-N 3.33Å; E691-I694 PolarHBondContact O-N 2.81Å; E691-A695 WeakPolarHBondContact O-CB 3.22Å; E691-A695 PolarHBondContact O-N 3.38Å
692R82.3Confident80.3Confident122 Ų12281.6 Ų81.646%0.4643%0.426SS..Hα-helixtrans-64-38.3174-73.1174.8-161.8-173.85.6111.8L687 T688 E690 A695 T696L687-R692 HydrophobicContact CB-CG 3.76Å; L687-R692 PolarHBondContact O-NE 3Å; L687-R692 PolarHBondContact O-NH2 3.4Å; T688-R692 WeakPolarHBondContact O-CB 3.34Å; T688-R692 VanDerWaalsContact O-CG 3.26Å; T688-R692 WeakPolarHBondContact O-CG 3.31Å; T688-R692 PolarHBondContact O-N 2.87Å; E690-R692 VanDerWaalsContact C-N 3.27Å; E690-R692 PolarHBondContact O-N 2.96Å; R692-A695 PolarHBondContact O-N 3.3Å; R692-T696 WeakPolarHBondContact O-CG2 3.34Å; R692-T696 PolarHBondContact O-N 3.21Å; R692-T696 PolarHBondContact O-OG1 3.46Å
693A84.5Confident81.4Confident0 Ų084 Ų840%044%0.439CS..Hα-helixtrans-72.3-39.517800000112.4A689 E690 E691 A695 T696 R697 V743A689-A693 PolarHBondContact O-N 3.05Å; A689-A693 VanDerWaalsContact O-N 3.16Å; E690-A693 WeakPolarHBondContact O-CB 3.43Å; E690-A693 PolarHBondContact O-N 2.61Å; E691-A693 VanDerWaalsContact C-N 3.33Å; A693-A695 VanDerWaalsContact C-N 3.35Å; A693-T696 WeakPolarHBondContact CA-OG1 3.31Å; A693-T696 PolarHBondContact O-N 3.07Å; A693-T696 PolarHBondContact O-OG1 2.9Å; A693-R697 PolarHBondContact O-N 3.43Å; A693-V743 HydrophobicContact CB-CB 4.36Å; A693-V743 HydrophobicContact CB-CG1 3.44Å; A693-V743 VanDerWaalsContact CB-CG1 3.44Å; A693-V743 HydrophobicContact CB-CG2 4.01Å
694I85.9Confident82.3Confident60 Ų6078.1 Ų78.131%0.30841%0.409SS..Hα-helixtrans-60.1-47.5169.7-65.6171.4000109.6E690 E691 T696 R697 L698 L708 V743E690-I694 WeakPolarHBondContact O-CG1 3.39Å; E690-I694 PolarHBondContact O-N 3.45Å; E691-I694 PolarHBondContact O-N 2.81Å; I694-T696 VanDerWaalsContact C-N 3.34Å; I694-T696 PolarHBondContact O-N 2.78Å; I694-R697 PolarHBondContact O-N 2.91Å; I694-R697 VanDerWaalsContact O-N 3.16Å; I694-L698 HydrophobicContact CG2-CD1 4.16Å; I694-L698 HydrophobicContact CG2-CG 4.38Å; I694-L698 WeakPolarHBondContact O-CG 3.5Å; I694-L698 PolarHBondContact O-N 2.76Å; I694-L708 HydrophobicContact CG2-CD1 4.5Å; I694-L708 HydrophobicContact CG2-CD2 4.16Å; I694-V743 HydrophobicContact CB-CG2 4.49Å; I694-V743 HydrophobicContact CG1-CG2 3.51Å
695A84.4Confident83Confident28 Ų2877.9 Ų77.923%0.23140%0.399CS..Hα-helixtrans-60.5-39177.700000112.6L687 E691 R692 A693 L698 I699L687-A695 HydrophobicContact CD2-CB 4.12Å; E691-A695 WeakPolarHBondContact O-CB 3.22Å; E691-A695 PolarHBondContact O-N 3.38Å; R692-A695 PolarHBondContact O-N 3.3Å; A693-A695 VanDerWaalsContact C-N 3.35Å; A695-L698 PolarHBondContact O-N 3.07Å; A695-I699 WeakPolarHBondContact O-CD1 3.46Å; A695-I699 VanDerWaalsContact O-CG1 3.23Å; A695-I699 WeakPolarHBondContact O-CG1 3.49Å; A695-I699 PolarHBondContact O-N 3.03Å; A695-I699 VanDerWaalsContact O-N 3.16Å
696T84.3Confident83.3Confident75 Ų7580.7 Ų80.746%0.4641%0.41SS..Hα-helixtrans-67.1-39174.349.40000112.3R692 A693 I694 I699 H700R692-T696 WeakPolarHBondContact O-CG2 3.34Å; R692-T696 PolarHBondContact O-N 3.21Å; R692-T696 PolarHBondContact O-OG1 3.46Å; A693-T696 WeakPolarHBondContact CA-OG1 3.31Å; A693-T696 PolarHBondContact O-N 3.07Å; A693-T696 PolarHBondContact O-OG1 2.9Å; I694-T696 VanDerWaalsContact C-N 3.34Å; I694-T696 PolarHBondContact O-N 2.78Å; T696-I699 PolarHBondContact O-N 3.41Å; T696-H700 WeakPolarHBondContact O-CB 3.24Å; T696-H700 PolarHBondContact O-N 2.84Å
697R83.1Confident83.7Confident49 Ų4979.6 Ų79.619%0.18540%0.396CS..Hα-helixtrans-66.5-36.1172.7-81.2176.897.4169.2-12.4113A693 I694 I699 H700 S704 L708 I742 E747A693-R697 PolarHBondContact O-N 3.43Å; I694-R697 PolarHBondContact O-N 2.91Å; I694-R697 VanDerWaalsContact O-N 3.16Å; R697-I699 PolarHBondContact O-N 3.17Å; R697-H700 PolarHBondContact O-N 2.96Å; R697-S704 WeakPolarHBondContact O-CB 3.1Å; R697-S704 PolarHBondContact O-OG 2.99Å; R697-L708 HydrophobicContact CB-CD1 3.66Å; R697-I742 PolarHBondContact NH1-O 2.64Å; R697-E747 WeakPolarHBondContact CD-OE2 3.31Å; R697-E747 IonicContact CZ-OE1 2.62Å; R697-E747 IonicContact CZ-OE2 2.93Å; R697-E747 IonicContact NE-OE1 3.29Å; R697-E747 IonicContact NE-OE2 2.61Å; R697-E747 IonicContact NH1-OE1 2.79Å; R697-E747 PolarHBondContact NH1-OE1 3.43Å; R697-E747 IonicContact NH1-OE2 3.83Å; R697-E747 PolarHBondContact NH1-OE2 3.47Å
698L85.8Confident83.9Confident67 Ų6776.6 Ų76.635%0.35138%0.38SS..Hα-helixtrans-63.2-29.2173.4-74.9174.7000113.2I694 A695 R705 L708I694-L698 HydrophobicContact CG2-CD1 4.16Å; I694-L698 HydrophobicContact CG2-CG 4.38Å; I694-L698 WeakPolarHBondContact O-CG 3.5Å; I694-L698 PolarHBondContact O-N 2.76Å; A695-L698 PolarHBondContact O-N 3.07Å; L698-R705 HydrophobicContact CD2-CG 3.97Å; L698-R705 PolarHBondContact O-NE 3.04Å; L698-R705 PolarHBondContact O-NH2 3.03Å; L698-L708 HydrophobicContact CB-CD1 4.49Å; L698-L708 HydrophobicContact CD2-CB 4.44Å; L698-L708 HydrophobicContact CD2-CD1 3.64Å; L698-L708 HydrophobicContact CG-CD1 3.72Å
699I83.8Confident83.9Confident137 Ų13779.4 Ų79.470%0.70339%0.393SS*.Hα-helixtrans-86.5-33.4179.6-67.5165000111.8A695 T696 R697 S701A695-I699 WeakPolarHBondContact O-CD1 3.46Å; A695-I699 VanDerWaalsContact O-CG1 3.23Å; A695-I699 WeakPolarHBondContact O-CG1 3.49Å; A695-I699 PolarHBondContact O-N 3.03Å; A695-I699 VanDerWaalsContact O-N 3.16Å; T696-I699 PolarHBondContact O-N 3.41Å; R697-I699 PolarHBondContact O-N 3.17Å; I699-S701 PolarHBondContact O-N 2.79Å
700H78.6Confident84.1Confident160 Ų16083.9 Ų83.974%0.74141%0.406SS*.Hα-helixtrans-66.1-40.4-167.1-164.4-84.2000115T696 R697T696-H700 WeakPolarHBondContact O-CB 3.24Å; T696-H700 PolarHBondContact O-N 2.84Å; R697-H700 PolarHBondContact O-N 2.96Å
701S84.1Confident84Confident50 Ų5081.4 Ų81.435%0.3540%0.399SS..  trans-158.2156.1-177.8-179.70000112.5I699 K703 S704 R705I699-S701 PolarHBondContact O-N 2.79Å; S701-K703 PolarHBondContact O-N 3.44Å; S701-K703 PolarHBondContact OG-N 3.47Å; S701-S704 WeakPolarHBondContact CB-OG 3.06Å; S701-S704 PolarHBondContact N-OG 2.62Å; S701-S704 VanDerWaalsContact N-OG 3.13Å; S701-S704 PolarHBondContact O-OG 3.29Å; S701-S704 VanDerWaalsContact O-OG 3.05Å; S701-R705 PolarHBondContact O-N 3Å; S701-R705 VanDerWaalsContact O-N 3.11Å
702A84.3Confident83.7Confident61 Ų6180.1 Ų80.150%0.50440%0.403SS..Hα-helixtrans-64.8-27.9166.100000112.2R706A702-R706 PolarHBondContact O-N 3Å; A702-R706 VanDerWaalsContact O-N 3.13Å
703K86.7Confident83.6Confident145 Ų14582.6 Ų82.663%0.6341%0.414SS*.Hα-helixtrans-69.8-50.8175.1-169.7-177.3177.9-175.50111.2S701 R705 R706 E707S701-K703 PolarHBondContact O-N 3.44Å; S701-K703 PolarHBondContact OG-N 3.47Å; K703-R705 PolarHBondContact O-N 2.98Å; K703-R706 WeakPolarHBondContact O-CA 3.45Å; K703-R706 WeakPolarHBondContact O-CB 3.36Å; K703-R706 PolarHBondContact O-N 3.27Å; K703-E707 WeakPolarHBondContact CE-OE1 3.49Å; K703-E707 WeakPolarHBondContact CG-OE1 3.4Å; K703-E707 IonicContact NZ-OE1 3.73Å; K703-E707 WeakPolarHBondContact O-CG 3.49Å; K703-E707 PolarHBondContact O-N 3.42Å
704S84.6Confident83.1Confident13 Ų1385 Ų859%0.09143%0.427CS..Hα-helixtrans-63.5-27.9177.456.10000113R697 S701 L708R697-S704 WeakPolarHBondContact O-CB 3.1Å; R697-S704 PolarHBondContact O-OG 2.99Å; S701-S704 WeakPolarHBondContact CB-OG 3.06Å; S701-S704 PolarHBondContact N-OG 2.62Å; S701-S704 VanDerWaalsContact N-OG 3.13Å; S701-S704 PolarHBondContact O-OG 3.29Å; S701-S704 VanDerWaalsContact O-OG 3.05Å; S704-L708 WeakPolarHBondContact O-CB 3.19Å; S704-L708 WeakPolarHBondContact O-CG 3.1Å; S704-L708 PolarHBondContact O-N 3.2Å; S704-L708 VanDerWaalsContact O-N 3.07Å
705R84.5Confident82.5Confident119 Ų11992.5 Ų92.545%0.44945%0.451SS..Hα-helixtrans-68.5-40.3169.1-172.5178.6-55.6138.69.8112.9L698 S701 K703 L708 L709L698-R705 HydrophobicContact CD2-CG 3.97Å; L698-R705 PolarHBondContact O-NE 3.04Å; L698-R705 PolarHBondContact O-NH2 3.03Å; S701-R705 PolarHBondContact O-N 3Å; S701-R705 VanDerWaalsContact O-N 3.11Å; K703-R705 PolarHBondContact O-N 2.98Å; R705-L708 PolarHBondContact O-N 2.98Å; R705-L709 HydrophobicContact CG-CD1 4.31Å; R705-L709 WeakPolarHBondContact O-CG 3.47Å; R705-L709 PolarHBondContact O-N 2.93Å
706R86.5Confident81.9Confident177 Ų17793.7 Ų93.767%0.66845%0.45SS*.Hα-helixtrans-64.6-49.6174-78.1-169.3178.1106.4-7.3111.1A702 K703 L708 L709 E710A702-R706 PolarHBondContact O-N 3Å; A702-R706 VanDerWaalsContact O-N 3.13Å; K703-R706 WeakPolarHBondContact O-CA 3.45Å; K703-R706 WeakPolarHBondContact O-CB 3.36Å; K703-R706 PolarHBondContact O-N 3.27Å; R706-L708 PolarHBondContact O-N 3.35Å; R706-L709 PolarHBondContact O-N 3.38Å; R706-E710 VanDerWaalsContact O-CB 3.28Å; R706-E710 WeakPolarHBondContact O-CB 3.17Å; R706-E710 PolarHBondContact O-N 3.07Å
707E85.5Confident81Confident74 Ų7494.6 Ų94.635%0.34645%0.449SS..Hα-helixtrans-53.4-41.5175.7-68.7166.7-169.800112K703 S711K703-E707 WeakPolarHBondContact CE-OE1 3.49Å; K703-E707 WeakPolarHBondContact CG-OE1 3.4Å; K703-E707 IonicContact NZ-OE1 3.73Å; K703-E707 WeakPolarHBondContact O-CG 3.49Å; K703-E707 PolarHBondContact O-N 3.42Å; E707-S711 WeakPolarHBondContact O-CB 3.42Å; E707-S711 PolarHBondContact O-N 3.41Å; E707-S711 PolarHBondContact O-OG 2.94Å
708L84.7Confident80.2Confident15 Ų15100.7 Ų100.78%0.07948%0.477CS..Hα-helixtrans-64-45.1174.5-87.3165.8000113.2I694 R697 L698 S704 R705 R706 S711 G712 I742I694-L708 HydrophobicContact CG2-CD1 4.5Å; I694-L708 HydrophobicContact CG2-CD2 4.16Å; R697-L708 HydrophobicContact CB-CD1 3.66Å; L698-L708 HydrophobicContact CB-CD1 4.49Å; L698-L708 HydrophobicContact CD2-CB 4.44Å; L698-L708 HydrophobicContact CD2-CD1 3.64Å; L698-L708 HydrophobicContact CG-CD1 3.72Å; S704-L708 WeakPolarHBondContact O-CB 3.19Å; S704-L708 WeakPolarHBondContact O-CG 3.1Å; S704-L708 PolarHBondContact O-N 3.2Å; S704-L708 VanDerWaalsContact O-N 3.07Å; R705-L708 PolarHBondContact O-N 2.98Å; R706-L708 PolarHBondContact O-N 3.35Å; L708-S711 PolarHBondContact O-OG 2.93Å; L708-G712 PolarHBondContact O-N 3.1Å; L708-I742 HydrophobicContact CD2-CB 4.26Å; L708-I742 HydrophobicContact CD2-CD1 4.15Å; L708-I742 HydrophobicContact CD2-CG2 3.69Å
709L83.3Confident79.2Confident114 Ų114102.6 Ų102.660%0.59748%0.483SS*.Hα-helixtrans-66.3-41.3177.6-70.1168.7000111.5R705 R706 G712 Y713R705-L709 HydrophobicContact CG-CD1 4.31Å; R705-L709 WeakPolarHBondContact O-CG 3.47Å; R705-L709 PolarHBondContact O-N 2.93Å; R706-L709 PolarHBondContact O-N 3.38Å; L709-G712 WeakPolarHBondContact O-CA 3.37Å; L709-G712 PolarHBondContact O-N 2.93Å; L709-Y713 WeakPolarHBondContact O-CD2 3.43Å
710E84Confident78Confident139 Ų139104.7 Ų104.765%0.6549%0.49SS*.Hα-helixtrans-64.4-42.1179.1-165.7161.7-152.600111.2R706 G712 Y713R706-E710 VanDerWaalsContact O-CB 3.28Å; R706-E710 WeakPolarHBondContact O-CB 3.17Å; R706-E710 PolarHBondContact O-N 3.07Å; E710-G712 PolarHBondContact O-N 2.72Å; E710-Y713 PolarHBondContact O-N 3Å; E710-Y713 VanDerWaalsContact O-N 3.11Å
711S79.3Confident77Confident41 Ų41105 Ų10529%0.28749%0.489SS..THydrogen-bonded Turntrans-67-13.1170.969.20000114.9E707 L708 Y713 N714 I742E707-S711 WeakPolarHBondContact O-CB 3.42Å; E707-S711 PolarHBondContact O-N 3.41Å; E707-S711 PolarHBondContact O-OG 2.94Å; L708-S711 PolarHBondContact O-OG 2.93Å; S711-Y713 VanDerWaalsContact C-N 3.28Å; S711-N714 PolarHBondContact O-ND2 2.87Å; S711-I742 VanDerWaalsContact OG-CD1 3.27Å; S711-I742 WeakPolarHBondContact OG-CD1 3.34Å; S711-I742 WeakPolarHBondContact OG-CG1 3.41Å; S711-I742 WeakPolarHBondContact OG-CG2 3.14Å
712G78.3Confident76.1Confident37 Ų37106.5 Ų106.538%0.38150%0.5SS..THydrogen-bonded Turntrans-69.3-26.7171.300000112.7L708 L709 E710 N714L708-G712 PolarHBondContact O-N 3.1Å; L709-G712 WeakPolarHBondContact O-CA 3.37Å; L709-G712 PolarHBondContact O-N 2.93Å; E710-G712 PolarHBondContact O-N 2.72Å; G712-N714 PolarHBondContact O-N 2.88Å; G712-N714 PolarHBondContact O-ND2 2.8Å
713Y79.5Confident75.2Confident173 Ų173107.5 Ų107.568%0.67850%0.503SS*.  trans-81103.3173.5-60.8-84.4000109.8L709 E710 S711L709-Y713 WeakPolarHBondContact O-CD2 3.43Å; E710-Y713 PolarHBondContact O-N 3Å; E710-Y713 VanDerWaalsContact O-N 3.11Å; S711-Y713 VanDerWaalsContact C-N 3.28Å
714N73.1Confident74.6Confident52 Ų52107 Ų10728%0.27851%0.507SS..SBendtrans-147.2167.1179.658.163.9000110.8S711 G712 Y716 Q717S711-N714 PolarHBondContact O-ND2 2.87Å; G712-N714 PolarHBondContact O-N 2.88Å; G712-N714 PolarHBondContact O-ND2 2.8Å; N714-Y716 HydrophobicContact CB-CD2 4.5Å; N714-Y716 PolarHBondContact O-N 3.18Å; N714-Y716 WeakPolarHBondContact OD1-CA 3.45Å; N714-Y716 VanDerWaalsContact OD1-CB 3.29Å; N714-Y716 WeakPolarHBondContact OD1-CB 3.42Å; N714-Y716 WeakPolarHBondContact OD1-CD2 3.42Å; N714-Y716 PolarHBondContact OD1-N 2.83Å; N714-Q717 VanDerWaalsContact O-CB 3.31Å; N714-Q717 WeakPolarHBondContact O-CB 3.46Å; N714-Q717 PolarHBondContact O-N 2.9Å
715R74.8Confident74.2Confident217 Ų217109.4 Ų109.482%0.81952%0.519SS*.G310 helixtrans-52.6-25178.9-174.8-179.5-74.2-176.5-3.8112.9Q717 F719R715-Q717 VanDerWaalsContact C-N 3.31Å; R715-Q717 PolarHBondContact O-N 3.42Å; R715-F719 WeakPolarHBondContact O-CE2 3.4Å
716Y71.8Confident74.1Confident52 Ų52107.1 Ų107.120%0.20452%0.519CS..G310 helixtrans-86.710.1-177.6-44.2-81.1000115.1N714 F719 M737 K739N714-Y716 HydrophobicContact CB-CD2 4.5Å; N714-Y716 PolarHBondContact O-N 3.18Å; N714-Y716 WeakPolarHBondContact OD1-CA 3.45Å; N714-Y716 VanDerWaalsContact OD1-CB 3.29Å; N714-Y716 WeakPolarHBondContact OD1-CB 3.42Å; N714-Y716 WeakPolarHBondContact OD1-CD2 3.42Å; N714-Y716 PolarHBondContact OD1-N 2.83Å; Y716-F719 HydrophobicContact CD1-CD2 4.47Å; Y716-F719 HydrophobicContact CD1-CE2 4.1Å; Y716-M737 HydrophobicContact CD1-CE 3.88Å; Y716-M737 HydrophobicContact CE1-CB 4.06Å; Y716-M737 HydrophobicContact CE1-CE 3.63Å; Y716-M737 HydrophobicContact CE1-SD 3.8Å; Y716-K739 HydrophobicContact CD2-CB 4.45Å; Y716-K739 HydrophobicContact CD2-CG 3.89Å; Y716-K739 HydrophobicContact CE2-CG 4.46Å; Y716-K739 HydrophobicContact CG-CG 3.97Å; Y716-K739 PolarHBondContact O-NZ 3.5Å
717Q65.9Low73.8Confident95 Ų95105 Ų10544%0.44452%0.521SS..G310 helixtrans-80.2-21.4-177.5-172.4169.7100113.7N714 R715N714-Q717 VanDerWaalsContact O-CB 3.31Å; N714-Q717 WeakPolarHBondContact O-CB 3.46Å; N714-Q717 PolarHBondContact O-N 2.9Å; R715-Q717 VanDerWaalsContact C-N 3.31Å; R715-Q717 PolarHBondContact O-N 3.42Å
718F65.9Low73.9Confident177 Ų177109.8 Ų109.878%0.77654%0.536SS*.SBendtrans-110.69.1-174.2-59.5-76.8000114.4E720F718-E720 PolarHBondContact O-N 3.01Å
719F64.3Low73.8Confident107 Ų107112.5 Ų112.547%0.46955%0.547SS..PPolyproline II helixtrans-69.6124.4174.5-76.6-90.5000109.8R715 Y716 M737R715-F719 WeakPolarHBondContact O-CE2 3.4Å; Y716-F719 HydrophobicContact CD1-CD2 4.47Å; Y716-F719 HydrophobicContact CD1-CE2 4.1Å; F719-M737 HydrophobicContact CE1-CE 3.84Å; F719-M737 HydrophobicContact CE2-CE 3.72Å; F719-M737 HydrophobicContact CZ-CE 3.21Å
720E57.5Low73.6Confident180 Ų180108.2 Ų108.284%0.84153%0.525SS*.PPolyproline II helixtrans-65.7170.4177.6-64.1-178.4141.500111.1F718 S722F718-E720 PolarHBondContact O-N 3.01Å; E720-S722 PolarHBondContact O-N 3.45Å
721K57.9Low73.6Confident166 Ų166106.9 Ų106.972%0.72252%0.518SS*.PPolyproline II helixtrans-59.5133.8-169.5-70.2174.9177.6173.90111.1S723 D724K721-S723 VanDerWaalsContact CB-OG 3.31Å; K721-S723 WeakPolarHBondContact CB-OG 3.44Å; K721-S723 PolarHBondContact O-N 3.11Å; K721-D724 PolarHBondContact O-N 2.82Å
722S65.5Low73.8Confident83 Ų83107.8 Ų107.858%0.5852%0.52SS*.THydrogen-bonded Turntrans-69.122.7171.366.80000114E720 I730E720-S722 PolarHBondContact O-N 3.45Å; S722-I730 VanDerWaalsContact O-CD1 3.3Å; S722-I730 WeakPolarHBondContact O-CD1 3.42Å
723S66.5Low74Confident82 Ų82108.1 Ų108.157%0.57351%0.512SS*.THydrogen-bonded Turntrans-89.2-24.1172.647.30000112.4K721K721-S723 VanDerWaalsContact CB-OG 3.31Å; K721-S723 WeakPolarHBondContact CB-OG 3.44Å; K721-S723 PolarHBondContact O-N 3.11Å
724D73Confident73.9Confident135 Ų135107 Ų10772%0.72251%0.51SS*.SBendtrans-107.45-165.4-53.3-0.4000111.6K721K721-D724 PolarHBondContact O-N 2.82Å
725L77.2Confident74.3Confident63 Ų63109.8 Ų109.833%0.3352%0.52SS..SBendtrans-112.3138.3-175.9-68162.6000110.1F729 I730L725-F729 HydrophobicContact CB-CD1 4.02Å; L725-F729 HydrophobicContact CD1-CD1 3.96Å; L725-F729 HydrophobicContact CD1-CE1 3.88Å; L725-F729 HydrophobicContact CD2-CD1 3.8Å; L725-F729 HydrophobicContact CD2-CE1 3.83Å; L725-F729 HydrophobicContact CD2-CG 4.49Å; L725-F729 HydrophobicContact CG-CD1 4.14Å; L725-F729 HydrophobicContact CG-CE1 4.35Å; L725-I730 HydrophobicContact CB-CD1 4.48Å; L725-I730 HydrophobicContact CB-CG1 4.08Å; L725-I730 VanDerWaalsContact O-CD1 3.31Å; L725-I730 WeakPolarHBondContact O-CD1 3.46Å
726P81.1Confident74.5Confident71 Ų71105.8 Ų105.846%0.46151%0.511SS..  trans-58.1147.2177.2-26.635.4000113.6W728 F729 I730P726-W728 HydrophobicContact CB-CG 4.42Å; P726-W728 PolarHBondContact O-N 3.11Å; P726-W728 VanDerWaalsContact O-N 3.14Å; P726-F729 WeakPolarHBondContact O-CA 3.49Å; P726-F729 WeakPolarHBondContact O-CB 3.41Å; P726-F729 PolarHBondContact O-N 3.29Å; P726-I730 PolarHBondContact O-N 2.96Å; P726-I730 VanDerWaalsContact O-N 3.08Å
727D81.1Confident74.7Confident131 Ų131106.4 Ų106.470%0.70152%0.516SS*.Hα-helixtrans-52.9-40.2-178.6-72.7-41.9000113.4F729 I730 E731D727-F729 VanDerWaalsContact C-N 3.28Å; D727-F729 PolarHBondContact O-N 3.3Å; D727-I730 PolarHBondContact O-N 2.82Å; D727-E731 WeakPolarHBondContact O-CG 3.32Å; D727-E731 PolarHBondContact O-N 3.42Å
728W87.2Confident74.7Confident175 Ų175110.8 Ų110.866%0.66353%0.528SS*.Hα-helixtrans-61.2-36.6177.376.8-99.3000112.3P726 E731 D732P726-W728 HydrophobicContact CB-CG 4.42Å; P726-W728 PolarHBondContact O-N 3.11Å; P726-W728 VanDerWaalsContact O-N 3.14Å; W728-E731 PolarHBondContact O-N 2.82Å; W728-D732 WeakPolarHBondContact O-CB 3.13Å; W728-D732 PolarHBondContact O-N 2.82Å
729F83Confident74.8Confident72 Ų72108.9 Ų108.932%0.31652%0.52SS..Hα-helixtrans-72.3-40.2177.9-175.4-88.2000110.3L725 P726 D727 E731 D732 E733L725-F729 HydrophobicContact CB-CD1 4.02Å; L725-F729 HydrophobicContact CD1-CD1 3.96Å; L725-F729 HydrophobicContact CD1-CE1 3.88Å; L725-F729 HydrophobicContact CD2-CD1 3.8Å; L725-F729 HydrophobicContact CD2-CE1 3.83Å; L725-F729 HydrophobicContact CD2-CG 4.49Å; L725-F729 HydrophobicContact CG-CD1 4.14Å; L725-F729 HydrophobicContact CG-CE1 4.35Å; P726-F729 WeakPolarHBondContact O-CA 3.49Å; P726-F729 WeakPolarHBondContact O-CB 3.41Å; P726-F729 PolarHBondContact O-N 3.29Å; D727-F729 VanDerWaalsContact C-N 3.28Å; D727-F729 PolarHBondContact O-N 3.3Å; F729-E731 VanDerWaalsContact C-N 3.32Å; F729-E731 PolarHBondContact O-N 3.02Å; F729-D732 PolarHBondContact O-N 2.85Å; F729-E733 HydrophobicContact CD1-CG 4.03Å; F729-E733 HydrophobicContact CE1-CG 3.56Å; F729-E733 HydrophobicContact CZ-CG 4.03Å; F729-E733 WeakPolarHBondContact O-CB 3.4Å; F729-E733 PolarHBondContact O-N 3.37Å
730I79.8Confident75Confident24 Ų24108.2 Ų108.212%0.12353%0.526CS..Hα-helixtrans-63.1-39.2174.3-60.9171.7000110.8S722 L725 P726 D727 K734S722-I730 VanDerWaalsContact O-CD1 3.3Å; S722-I730 WeakPolarHBondContact O-CD1 3.42Å; L725-I730 HydrophobicContact CB-CD1 4.48Å; L725-I730 HydrophobicContact CB-CG1 4.08Å; L725-I730 VanDerWaalsContact O-CD1 3.31Å; L725-I730 WeakPolarHBondContact O-CD1 3.46Å; P726-I730 PolarHBondContact O-N 2.96Å; P726-I730 VanDerWaalsContact O-N 3.08Å; D727-I730 PolarHBondContact O-N 2.82Å; I730-K734 HydrophobicContact CG2-CD 4.29Å; I730-K734 WeakPolarHBondContact O-CB 3.42Å; I730-K734 WeakPolarHBondContact O-CD 3.41Å; I730-K734 WeakPolarHBondContact O-CG 3.28Å; I730-K734 PolarHBondContact O-N 2.87Å
731E82.1Confident75.5Confident111 Ų111104.4 Ų104.452%0.51951%0.51SS..Hα-helixtrans-67.4-38.3173.9-75.2-167.1177.400113.2D727 W728 F729 K734 K735D727-E731 WeakPolarHBondContact O-CG 3.32Å; D727-E731 PolarHBondContact O-N 3.42Å; W728-E731 PolarHBondContact O-N 2.82Å; F729-E731 VanDerWaalsContact C-N 3.32Å; F729-E731 PolarHBondContact O-N 3.02Å; E731-K734 PolarHBondContact O-N 2.87Å; E731-K735 WeakPolarHBondContact O-CG 3.43Å; E731-K735 PolarHBondContact O-N 3.45Å
732D84.7Confident76Confident60 Ų6099.6 Ų99.632%0.32149%0.492SS..Hα-helixtrans-75.6-38.9179.9-156.466.7000112.4W728 F729 K734 K735 H736W728-D732 WeakPolarHBondContact O-CB 3.13Å; W728-D732 PolarHBondContact O-N 2.82Å; F729-D732 PolarHBondContact O-N 2.85Å; D732-K734 VanDerWaalsContact C-N 3.34Å; D732-K734 PolarHBondContact O-N 3.23Å; D732-K735 WeakPolarHBondContact O-CB 3.26Å; D732-K735 PolarHBondContact O-N 3.01Å; D732-H736 VanDerWaalsContact CG-ND1 3.3Å; D732-H736 PolarHBondContact O-N 3.23Å; D732-H736 PolarHBondContact O-ND1 2.83Å; D732-H736 VanDerWaalsContact O-ND1 3.13Å; D732-H736 IonicContact OD1-CE1 3.72Å; D732-H736 PolarHBondContact OD1-CE1 3.49Å; D732-H736 IonicContact OD1-ND1 3.44Å; D732-H736 PolarHBondContact OD1-ND1 3.4Å; D732-H736 IonicContact OD2-CE1 2.77Å; D732-H736 PolarHBondContact OD2-CE1 3.02Å; D732-H736 IonicContact OD2-ND1 2.86Å; D732-H736 PolarHBondContact OD2-ND1 3.34Å
733E81.6Confident76.4Confident45 Ų4595.9 Ų95.921%0.2147%0.466CS..Hα-helixtrans-58.1-43.9165.6-84.3-149.4129.400111.5F729 K735 H736 M737F729-E733 HydrophobicContact CD1-CG 4.03Å; F729-E733 HydrophobicContact CE1-CG 3.56Å; F729-E733 HydrophobicContact CZ-CG 4.03Å; F729-E733 WeakPolarHBondContact O-CB 3.4Å; F729-E733 PolarHBondContact O-N 3.37Å; E733-K735 PolarHBondContact O-N 3.37Å; E733-H736 PolarHBondContact O-N 3.29Å; E733-M737 HydrophobicContact CB-CB 4.34Å; E733-M737 HydrophobicContact CB-CG 4.34Å; E733-M737 HydrophobicContact CG-CG 4.1Å; E733-M737 WeakPolarHBondContact O-CA 3.39Å; E733-M737 VanDerWaalsContact O-CB 3.29Å; E733-M737 WeakPolarHBondContact O-CB 3.37Å; E733-M737 PolarHBondContact O-N 3.36Å
734K77.1Confident76.8Confident149 Ų14998.4 Ų98.465%0.64847%0.466SS*.Hα-helixtrans-58.9-29.8175.1-77.8164-173.4161.40112.5I730 E731 D732I730-K734 HydrophobicContact CG2-CD 4.29Å; I730-K734 WeakPolarHBondContact O-CB 3.42Å; I730-K734 WeakPolarHBondContact O-CD 3.41Å; I730-K734 WeakPolarHBondContact O-CG 3.28Å; I730-K734 PolarHBondContact O-N 2.87Å; E731-K734 PolarHBondContact O-N 2.87Å; D732-K734 VanDerWaalsContact C-N 3.34Å; D732-K734 PolarHBondContact O-N 3.23Å
735K82.1Confident76.7Confident111 Ų111100.6 Ų100.648%0.48347%0.47SS..Hα-helixtrans-74.4-51.1175-68.7163.4-163.6159.20111.1E731 D732 E733 R738E731-K735 WeakPolarHBondContact O-CG 3.43Å; E731-K735 PolarHBondContact O-N 3.45Å; D732-K735 WeakPolarHBondContact O-CB 3.26Å; D732-K735 PolarHBondContact O-N 3.01Å; E733-K735 PolarHBondContact O-N 3.37Å; K735-R738 PolarHBondContact O-NE 3.33Å
736H79.8Confident76.4Confident133 Ų133106 Ų10662%0.61649%0.493SS*.Hα-helixtrans-93.4-36-167.8-61.9117.2000115D732 E733 R738D732-H736 VanDerWaalsContact CG-ND1 3.3Å; D732-H736 PolarHBondContact O-N 3.23Å; D732-H736 PolarHBondContact O-ND1 2.83Å; D732-H736 VanDerWaalsContact O-ND1 3.13Å; D732-H736 IonicContact OD1-CE1 3.72Å; D732-H736 PolarHBondContact OD1-CE1 3.49Å; D732-H736 IonicContact OD1-ND1 3.44Å; D732-H736 PolarHBondContact OD1-ND1 3.4Å; D732-H736 IonicContact OD2-CE1 2.77Å; D732-H736 PolarHBondContact OD2-CE1 3.02Å; D732-H736 IonicContact OD2-ND1 2.86Å; D732-H736 PolarHBondContact OD2-ND1 3.34Å; E733-H736 PolarHBondContact O-N 3.29Å; H736-R738 PolarHBondContact O-N 2.88Å
737M74.9Confident75.8Confident65 Ų65106 Ų10632%0.3249%0.487SS..  trans-97.367.4-172.3-64.5-71-89.500112.5Y716 F719 E733Y716-M737 HydrophobicContact CD1-CE 3.88Å; Y716-M737 HydrophobicContact CE1-CB 4.06Å; Y716-M737 HydrophobicContact CE1-CE 3.63Å; Y716-M737 HydrophobicContact CE1-SD 3.8Å; F719-M737 HydrophobicContact CE1-CE 3.84Å; F719-M737 HydrophobicContact CE2-CE 3.72Å; F719-M737 HydrophobicContact CZ-CE 3.21Å; E733-M737 HydrophobicContact CB-CB 4.34Å; E733-M737 HydrophobicContact CB-CG 4.34Å; E733-M737 HydrophobicContact CG-CG 4.1Å; E733-M737 WeakPolarHBondContact O-CA 3.39Å; E733-M737 VanDerWaalsContact O-CB 3.29Å; E733-M737 WeakPolarHBondContact O-CB 3.37Å; E733-M737 PolarHBondContact O-N 3.36Å
738R67.1Low75.3Confident186 Ų186101.2 Ų101.270%0.70246%0.461SS*.  trans-88.5112.3-178.9-60.4-175.8-171.6-165.7-0.3112.2K735 H736K735-R738 PolarHBondContact O-NE 3.33Å; H736-R738 PolarHBondContact O-N 2.88Å
739K67.5Low74.2Confident138 Ų13896.1 Ų96.160%0.645%0.451SS*.  trans-59.2129.7170.7-59.1-170-175.7-163.30109.9Y716 I741Y716-K739 HydrophobicContact CD2-CB 4.45Å; Y716-K739 HydrophobicContact CD2-CG 3.89Å; Y716-K739 HydrophobicContact CE2-CG 4.46Å; Y716-K739 HydrophobicContact CG-CG 3.97Å; Y716-K739 PolarHBondContact O-NZ 3.5Å; K739-I741 PolarHBondContact O-N 3.43Å
740P69.3Low73.2Confident93 Ų9397.5 Ų97.560%0.60447%0.465SS*.  trans-66.4129.6-179.925.9-33.5000111I742P740-I742 PolarHBondContact O-N 2.88Å
741I65.9Low72.2Confident99 Ų99103.5 Ų103.551%0.50850%0.497SS..  trans-71.2114178.2-54.2174.7000108.4K739 V743K739-I741 PolarHBondContact O-N 3.43Å; I741-V743 HydrophobicContact CG2-CB 4.17Å; I741-V743 PolarHBondContact O-N 2.68Å
742I70.1Confident70.9Confident65 Ų65102.9 Ų102.933%0.33350%0.501SS..SBendtrans-64.1-25.9-175.9-52.8157000112R697 L708 S711 P740R697-I742 PolarHBondContact NH1-O 2.64Å; L708-I742 HydrophobicContact CD2-CB 4.26Å; L708-I742 HydrophobicContact CD2-CD1 4.15Å; L708-I742 HydrophobicContact CD2-CG2 3.69Å; S711-I742 VanDerWaalsContact OG-CD1 3.27Å; S711-I742 WeakPolarHBondContact OG-CD1 3.34Å; S711-I742 WeakPolarHBondContact OG-CG1 3.41Å; S711-I742 WeakPolarHBondContact OG-CG2 3.14Å; P740-I742 PolarHBondContact O-N 2.88Å
743V72.8Confident69.3Low5 Ų5105.2 Ų105.23%0.0352%0.519CS..SBendtrans-85.4128.7178.9177.80000109.9A693 I694 I741 E747 I748A693-V743 HydrophobicContact CB-CB 4.36Å; A693-V743 HydrophobicContact CB-CG1 3.44Å; A693-V743 VanDerWaalsContact CB-CG1 3.44Å; A693-V743 HydrophobicContact CB-CG2 4.01Å; I694-V743 HydrophobicContact CB-CG2 4.49Å; I694-V743 HydrophobicContact CG1-CG2 3.51Å; I741-V743 HydrophobicContact CG2-CB 4.17Å; I741-V743 PolarHBondContact O-N 2.68Å; V743-E747 HydrophobicContact CG1-CB 3.62Å; V743-I748 HydrophobicContact CG1-CG1 3.67Å
744K75.5Confident67.5Low135 Ų135107 Ų10759%0.58753%0.533SS*.  trans-64.5143.1172.4-68.1-178.2175-175.20109.3E746 E747K744-E746 PolarHBondContact O-N 2.74Å; K744-E747 HydrophobicContact CB-CG 4.12Å; K744-E747 PolarHBondContact N-OE2 3.26Å; K744-E747 VanDerWaalsContact N-OE2 3.09Å; K744-E747 WeakPolarHBondContact O-CB 3.46Å; K744-E747 PolarHBondContact O-N 3.38Å
745K71.1Confident65.7Low181 Ų181109 Ų10979%0.78755%0.547SS*.THydrogen-bonded Turntrans-53.4-26.5179-70-177.31781780113.8
746E71.4Confident63.6Low176 Ų176106.7 Ų106.782%0.82256%0.555SS**THydrogen-bonded Turntrans-72.5-26.9175.1-60.2172.5175.400114.5K744K744-E746 PolarHBondContact O-N 2.74Å
747E68.8Low61.9Low72 Ų72111.1 Ų111.134%0.33657%0.566SS.*THydrogen-bonded Turntrans-83.6-20.9-179.7-67.8170.6167.400112.3R697 V743 K744 P749R697-E747 WeakPolarHBondContact CD-OE2 3.31Å; R697-E747 IonicContact CZ-OE1 2.62Å; R697-E747 IonicContact CZ-OE2 2.93Å; R697-E747 IonicContact NE-OE1 3.29Å; R697-E747 IonicContact NE-OE2 2.61Å; R697-E747 IonicContact NH1-OE1 2.79Å; R697-E747 PolarHBondContact NH1-OE1 3.43Å; R697-E747 IonicContact NH1-OE2 3.83Å; R697-E747 PolarHBondContact NH1-OE2 3.47Å; V743-E747 HydrophobicContact CG1-CB 3.62Å; K744-E747 HydrophobicContact CB-CG 4.12Å; K744-E747 PolarHBondContact N-OE2 3.26Å; K744-E747 VanDerWaalsContact N-OE2 3.09Å; K744-E747 WeakPolarHBondContact O-CB 3.46Å; K744-E747 PolarHBondContact O-N 3.38Å; E747-P749 VanDerWaalsContact O-CD 3.28Å; E747-P749 WeakPolarHBondContact O-CD 3.25Å
748I70.3Confident60.4Low30 Ų30109.5 Ų109.515%0.15456%0.562CS.*SBendtrans-65.4120.7173.6-56.7175.8000107.5A689 E690 V743 V750A689-I748 HydrophobicContact CB-CG2 3.76Å; E690-I748 HydrophobicContact CG-CD1 4.15Å; V743-I748 HydrophobicContact CG1-CG1 3.67Å; I748-V750 VanDerWaalsContact C-N 3.29Å; I748-V750 PolarHBondContact O-N 2.99Å
749P63.4Low59.8Low69 Ų69107.5 Ų107.545%0.44856%0.564SS.*  trans-67.890176.6-18.232.1000109.8E747 D751E747-P749 VanDerWaalsContact O-CD 3.28Å; E747-P749 WeakPolarHBondContact O-CD 3.25Å; P749-D751 PolarHBondContact O-N 2.6Å
750V62.4Low59.6Low101 Ų101104.7 Ų104.761%0.61256%0.562SS**  trans-63.5120.3168.1-174.60000106.7I748 V752I748-V750 VanDerWaalsContact C-N 3.29Å; I748-V750 PolarHBondContact O-N 2.99Å; V750-V752 HydrophobicContact CB-CG2 3.84Å; V750-V752 HydrophobicContact CG1-CG2 3.57Å; V750-V752 PolarHBondContact O-N 3.49Å
751D57.4Low59.4Low150 Ų150106.8 Ų106.880%0.80256%0.561SS**  trans-70.666169.2-90.6-37.3000109.1P749 P753P749-D751 PolarHBondContact O-N 2.6Å; D751-P753 WeakPolarHBondContact O-CD 3.46Å
752V54.9Low59.4Low98 Ų98104 Ų10459%0.59455%0.554SS**  trans-64.8115.7175.6-174.20000107.1V750 T754V750-V752 HydrophobicContact CB-CG2 3.84Å; V750-V752 HydrophobicContact CG1-CG2 3.57Å; V750-V752 PolarHBondContact O-N 3.49Å; V752-T754 PolarHBondContact O-N 3.36Å
753P51.2Low59.1Low108 Ų108106.3 Ų106.370%0.70156%0.563SS**  trans-66.599.1178.126.5-33.1000108.4D751 M755D751-P753 WeakPolarHBondContact O-CD 3.46Å; P753-M755 PolarHBondContact O-N 2.94Å
754T45.4Very low59.1Low84 Ų84110.3 Ų110.352%0.51558%0.581SS.*  trans-54.3103.7-173.553.40000111V752 G756 S758V752-T754 PolarHBondContact O-N 3.36Å; T754-G756 PolarHBondContact O-N 3.02Å; T754-S758 WeakPolarHBondContact OG1-CA 3.36Å; T754-S758 WeakPolarHBondContact OG1-CB 3.48Å; T754-S758 PolarHBondContact OG1-N 3.12Å
755M37.4Very low59.1Low190 Ų190105.8 Ų105.894%0.93657%0.569SS**THydrogen-bonded Turntrans-72.965.1171.8-76.7-68.5-82.500109.4P753P753-M755 PolarHBondContact O-N 2.94Å
756G39.4Very low59.3Low63 Ų63103.7 Ų103.765%0.64956%0.56SS**THydrogen-bonded Turntrans175.646.2-164.600000113T754T754-G756 PolarHBondContact O-N 3.02Å
757R42.7Very low59.4Low225 Ų22597.8 Ų97.885%0.84954%0.542SS*.THydrogen-bonded Turntrans55.874.4-176.4-57.9178.6-178.31654.3113.4
758S44.1Very low59.9Low32 Ų32101.3 Ų101.322%0.22455%0.552CS.*  trans-45.7147.4166.860.30000112.3T754 S760 K761 A762T754-S758 WeakPolarHBondContact OG1-CA 3.36Å; T754-S758 WeakPolarHBondContact OG1-CB 3.48Å; T754-S758 PolarHBondContact OG1-N 3.12Å; S758-S760 PolarHBondContact O-N 3.32Å; S758-K761 WeakPolarHBondContact O-CA 3.29Å; S758-K761 PolarHBondContact O-N 3.18Å; S758-K761 PolarHBondContact OG-N 3.32Å; S758-A762 PolarHBondContact O-N 2.82Å
759L54.3Low60.5Low143 Ų143107 Ų10775%0.74958%0.575SS**Hα-helixtrans-53.5-37174.9-79.3160.6000110.8A762 E763L759-A762 CarbonylContact O-C 3.59Å; L759-A762 WeakPolarHBondContact O-CA 3.47Å; L759-A762 WeakPolarHBondContact O-CB 3.44Å; L759-A762 PolarHBondContact O-N 3.26Å; L759-A762 VanDerWaalsContact O-N 3.09Å; L759-E763 WeakPolarHBondContact O-CB 3.29Å; L759-E763 WeakPolarHBondContact O-CG 3.42Å; L759-E763 PolarHBondContact O-N 2.84Å
760S62.8Low61.4Low80 Ų80111.4 Ų111.456%0.55959%0.587SS**Hα-helixtrans-57.1-45.7168.7172.80000113.7S758 A762 E763 Q764S758-S760 PolarHBondContact O-N 3.32Å; S760-A762 VanDerWaalsContact C-N 3.3Å; S760-A762 PolarHBondContact O-N 3.03Å; S760-E763 PolarHBondContact O-N 2.97Å; S760-Q764 WeakPolarHBondContact O-CA 3.28Å; S760-Q764 WeakPolarHBondContact O-CB 3.41Å; S760-Q764 PolarHBondContact O-N 2.83Å
761K66.4Low62.2Low136 Ų136108.9 Ų108.959%0.59158%0.577SS**Hα-helixtrans-64.4-32.7172.6-84.4177.7179.5167.90112.5S758 A765S758-K761 WeakPolarHBondContact O-CA 3.29Å; S758-K761 PolarHBondContact O-N 3.18Å; S758-K761 PolarHBondContact OG-N 3.32Å; K761-A765 WeakPolarHBondContact O-CB 3.16Å; K761-A765 PolarHBondContact O-N 3.04Å
762A66.1Low63.6Low42 Ų42110.7 Ų110.735%0.34757%0.573SS.*Hα-helixtrans-72-38.2175.200000112.5S758 L759 S760 A765 K766S758-A762 PolarHBondContact O-N 2.82Å; L759-A762 CarbonylContact O-C 3.59Å; L759-A762 WeakPolarHBondContact O-CA 3.47Å; L759-A762 WeakPolarHBondContact O-CB 3.44Å; L759-A762 PolarHBondContact O-N 3.26Å; L759-A762 VanDerWaalsContact O-N 3.09Å; S760-A762 VanDerWaalsContact C-N 3.3Å; S760-A762 PolarHBondContact O-N 3.03Å; A762-A765 PolarHBondContact O-N 3.29Å; A762-K766 WeakPolarHBondContact O-CG 3.42Å; A762-K766 PolarHBondContact O-N 3.12Å
763E62.7Low64.9Low113 Ų113110.6 Ų110.653%0.52857%0.568SS.*Hα-helixtrans-75.9-43.2176.7-73.1-172.6147.900112.1L759 S760 A765 K766 A767L759-E763 WeakPolarHBondContact O-CB 3.29Å; L759-E763 WeakPolarHBondContact O-CG 3.42Å; L759-E763 PolarHBondContact O-N 2.84Å; S760-E763 PolarHBondContact O-N 2.97Å; E763-A765 PolarHBondContact O-N 3.45Å; E763-K766 CarbonylContact O-C 3.56Å; E763-K766 WeakPolarHBondContact O-CA 3.44Å; E763-K766 WeakPolarHBondContact O-CB 3.44Å; E763-K766 PolarHBondContact O-N 3.38Å; E763-A767 VanDerWaalsContact O-CB 3.3Å; E763-A767 WeakPolarHBondContact O-CB 3.27Å; E763-A767 PolarHBondContact O-N 2.9Å
764Q74.2Confident66.5Low89 Ų89107.9 Ų107.942%0.41656%0.555SS.*Hα-helixtrans-57.8-35.6167.2-164-166.258.700110.6S760 R768S760-Q764 WeakPolarHBondContact O-CA 3.28Å; S760-Q764 WeakPolarHBondContact O-CB 3.41Å; S760-Q764 PolarHBondContact O-N 2.83Å; Q764-R768 WeakPolarHBondContact O-CB 3.32Å; Q764-R768 WeakPolarHBondContact O-CD 3.15Å; Q764-R768 WeakPolarHBondContact O-CG 3.19Å; Q764-R768 PolarHBondContact O-N 3.23Å; Q764-R768 VanDerWaalsContact OE1-CZ 3.23Å
765A74.3Confident68.5Low40 Ų40111.3 Ų111.333%0.33156%0.563SS.*Hα-helixtrans-70.6-36.2171.500000113.3K761 A762 E763 K769K761-A765 WeakPolarHBondContact O-CB 3.16Å; K761-A765 PolarHBondContact O-N 3.04Å; A762-A765 PolarHBondContact O-N 3.29Å; E763-A765 PolarHBondContact O-N 3.45Å; A765-K769 WeakPolarHBondContact O-CB 3.25Å; A765-K769 VanDerWaalsContact O-CG 3.24Å; A765-K769 WeakPolarHBondContact O-CG 3.48Å; A765-K769 PolarHBondContact O-N 3.44Å
766K75.5Confident70.8Confident136 Ų136108.5 Ų108.559%0.59154%0.542SS*.Hα-helixtrans-65.8-44.5170.9-73.6170.8-177170.60111.1A762 E763 K769 K770A762-K766 WeakPolarHBondContact O-CG 3.42Å; A762-K766 PolarHBondContact O-N 3.12Å; E763-K766 CarbonylContact O-C 3.56Å; E763-K766 WeakPolarHBondContact O-CA 3.44Å; E763-K766 WeakPolarHBondContact O-CB 3.44Å; E763-K766 PolarHBondContact O-N 3.38Å; K766-K769 CarbonylContact O-C 3.57Å; K766-K769 WeakPolarHBondContact O-CA 3.48Å; K766-K769 WeakPolarHBondContact O-CB 3.4Å; K766-K769 PolarHBondContact O-N 2.95Å; K766-K770 WeakPolarHBondContact O-CB 3.39Å; K766-K770 PolarHBondContact O-N 3.42Å
767A74.2Confident73Confident53 Ų53107.8 Ų107.844%0.43852%0.523SS..Hα-helixtrans-65.4-46177.300000111.1E763 K769 K770 A771E763-A767 VanDerWaalsContact O-CB 3.3Å; E763-A767 WeakPolarHBondContact O-CB 3.27Å; E763-A767 PolarHBondContact O-N 2.9Å; A767-K769 VanDerWaalsContact C-N 3.28Å; A767-K769 PolarHBondContact O-N 3.48Å; A767-K770 CarbonylContact O-C 3.54Å; A767-K770 PolarHBondContact O-N 3.15Å; A767-K770 VanDerWaalsContact O-N 3.12Å; A767-A771 VanDerWaalsContact O-CB 3.29Å; A767-A771 WeakPolarHBondContact O-CB 3.31Å; A767-A771 PolarHBondContact O-N 3.04Å
768R78.1Confident75.1Confident145 Ų145103.9 Ų103.955%0.54751%0.512SS..Hα-helixtrans-59.2-36.6170.4-74.1168.7178-172.10.1111.7Q764 R772Q764-R768 WeakPolarHBondContact O-CB 3.32Å; Q764-R768 WeakPolarHBondContact O-CD 3.15Å; Q764-R768 WeakPolarHBondContact O-CG 3.19Å; Q764-R768 PolarHBondContact O-N 3.23Å; Q764-R768 VanDerWaalsContact OE1-CZ 3.23Å; R768-R772 VanDerWaalsContact O-CB 3.26Å; R768-R772 WeakPolarHBondContact O-CB 3.47Å; R768-R772 WeakPolarHBondContact O-CD 3.49Å; R768-R772 WeakPolarHBondContact O-CG 3.33Å; R768-R772 PolarHBondContact O-N 2.98Å
769K83.8Confident77.2Confident149 Ų149110.8 Ų110.865%0.64853%0.533SS*.Hα-helixtrans-67.7-43.8171.5-77.6168.7-178.7174.70112.2A765 K766 A767 R772 L773A765-K769 WeakPolarHBondContact O-CB 3.25Å; A765-K769 VanDerWaalsContact O-CG 3.24Å; A765-K769 WeakPolarHBondContact O-CG 3.48Å; A765-K769 PolarHBondContact O-N 3.44Å; K766-K769 CarbonylContact O-C 3.57Å; K766-K769 WeakPolarHBondContact O-CA 3.48Å; K766-K769 WeakPolarHBondContact O-CB 3.4Å; K766-K769 PolarHBondContact O-N 2.95Å; A767-K769 VanDerWaalsContact C-N 3.28Å; A767-K769 PolarHBondContact O-N 3.48Å; K769-R772 PolarHBondContact O-N 3.12Å; K769-L773 WeakPolarHBondContact O-CB 3.49Å; K769-L773 PolarHBondContact O-N 3.39Å
770K81.3Confident78.7Confident162 Ų162104.5 Ų104.570%0.70450%0.5SS*.Hα-helixtrans-62.1-47.4176.1-171.7-177.2177.6-172.50110.9K766 A767 L773 A774K766-K770 WeakPolarHBondContact O-CB 3.39Å; K766-K770 PolarHBondContact O-N 3.42Å; A767-K770 CarbonylContact O-C 3.54Å; A767-K770 PolarHBondContact O-N 3.15Å; A767-K770 VanDerWaalsContact O-N 3.12Å; K770-L773 CarbonylContact O-C 3.52Å; K770-L773 WeakPolarHBondContact O-CB 3.42Å; K770-L773 PolarHBondContact O-N 3.41Å; K770-A774 WeakPolarHBondContact O-CB 3.26Å; K770-A774 PolarHBondContact O-N 2.85Å
771A80.7Confident79.8Confident49 Ų49107.5 Ų107.541%0.40550%0.499SS..Hα-helixtrans-64.3-39.8175.900000112.6A767 L773 A774 K775A767-A771 VanDerWaalsContact O-CB 3.29Å; A767-A771 WeakPolarHBondContact O-CB 3.31Å; A767-A771 PolarHBondContact O-N 3.04Å; A771-L773 VanDerWaalsContact C-N 3.34Å; A771-A774 PolarHBondContact O-N 3.1Å; A771-K775 WeakPolarHBondContact O-CB 3.4Å; A771-K775 WeakPolarHBondContact O-CG 3.47Å; A771-K775 PolarHBondContact O-N 3.44Å
772R86.1Confident80.8Confident188 Ų188106.2 Ų106.271%0.70950%0.495SS*.Hα-helixtrans-63.8-37.9171.5-76.4169.7-176.7-171.31112R768 K769 R776R768-R772 VanDerWaalsContact O-CB 3.26Å; R768-R772 WeakPolarHBondContact O-CB 3.47Å; R768-R772 WeakPolarHBondContact O-CD 3.49Å; R768-R772 WeakPolarHBondContact O-CG 3.33Å; R768-R772 PolarHBondContact O-N 2.98Å; K769-R772 PolarHBondContact O-N 3.12Å; R772-R776 VanDerWaalsContact O-CB 3.31Å; R772-R776 WeakPolarHBondContact O-CB 3.4Å; R772-R776 PolarHBondContact O-N 3.27Å
773L81.9Confident81.9Confident95 Ų95111 Ų11150%0.49751%0.508SS..Hα-helixtrans-66.8-47.2174.7-160.9170000110.5K769 K770 A771 R776 L777K769-L773 WeakPolarHBondContact O-CB 3.49Å; K769-L773 PolarHBondContact O-N 3.39Å; K770-L773 CarbonylContact O-C 3.52Å; K770-L773 WeakPolarHBondContact O-CB 3.42Å; K770-L773 PolarHBondContact O-N 3.41Å; A771-L773 VanDerWaalsContact C-N 3.34Å; L773-R776 CarbonylContact O-C 3.57Å; L773-R776 WeakPolarHBondContact O-CA 3.4Å; L773-R776 WeakPolarHBondContact O-CB 3.27Å; L773-R776 PolarHBondContact O-N 3.21Å; L773-R776 VanDerWaalsContact O-N 3.12Å; L773-L777 HydrophobicContact CD2-CD1 3.47Å; L773-L777 VanDerWaalsContact CD2-CD1 3.47Å; L773-L777 HydrophobicContact CD2-CG 3.95Å; L773-L777 PolarHBondContact O-N 3.44Å
774A85Confident83.1Confident51 Ų51106.7 Ų106.742%0.42149%0.493SS..Hα-helixtrans-61-47.5176.700000112.4K770 A771 R776 L777 K778K770-A774 WeakPolarHBondContact O-CB 3.26Å; K770-A774 PolarHBondContact O-N 2.85Å; A771-A774 PolarHBondContact O-N 3.1Å; A774-R776 VanDerWaalsContact C-N 3.25Å; A774-R776 PolarHBondContact O-N 3.39Å; A774-L777 WeakPolarHBondContact O-CB 3.38Å; A774-L777 PolarHBondContact O-N 3.1Å; A774-L777 VanDerWaalsContact O-N 3.12Å; A774-K778 PolarHBondContact O-N 3.23Å
775K87.8Confident83.7Confident156 Ų156109.1 Ų109.168%0.67850%0.504SS*.Hα-helixtrans-60.6-34173-73.3-173.6176.4-169.80112A771 R779A771-K775 WeakPolarHBondContact O-CB 3.4Å; A771-K775 WeakPolarHBondContact O-CG 3.47Å; A771-K775 PolarHBondContact O-N 3.44Å; K775-R779 WeakPolarHBondContact O-CG 3.29Å; K775-R779 PolarHBondContact O-N 2.89Å
776R84.5Confident84.1Confident131 Ų131110.5 Ų110.549%0.49452%0.522SS..Hα-helixtrans-69.9-40.3173.5-164.2-178.6-165.3174.94.6112R772 L773 A774 I780 A807R772-R776 VanDerWaalsContact O-CB 3.31Å; R772-R776 WeakPolarHBondContact O-CB 3.4Å; R772-R776 PolarHBondContact O-N 3.27Å; L773-R776 CarbonylContact O-C 3.57Å; L773-R776 WeakPolarHBondContact O-CA 3.4Å; L773-R776 WeakPolarHBondContact O-CB 3.27Å; L773-R776 PolarHBondContact O-N 3.21Å; L773-R776 VanDerWaalsContact O-N 3.12Å; A774-R776 VanDerWaalsContact C-N 3.25Å; A774-R776 PolarHBondContact O-N 3.39Å; R776-I780 HydrophobicContact CG-CD1 4.26Å; R776-I780 VanDerWaalsContact O-CD1 3.25Å; R776-I780 WeakPolarHBondContact O-CD1 3.2Å; R776-I780 WeakPolarHBondContact O-CG1 3.25Å; R776-I780 PolarHBondContact O-N 3.02Å; R776-I780 VanDerWaalsContact O-N 3.15Å; R776-A807 PolarHBondContact NE-O 3.38Å; R776-A807 PolarHBondContact NH1-O 3.17Å; R776-A807 PolarHBondContact NH2-O 3.22Å; R776-A807 VanDerWaalsContact NH2-O 3.08Å
777L85.7Confident84.6Confident49 Ų49104.8 Ų104.826%0.25750%0.497SS..Hα-helixtrans-63.9-46.9173.9-86170.2000111.9L773 A774 R779 I780 R781 Y804 L809L773-L777 HydrophobicContact CD2-CD1 3.47Å; L773-L777 VanDerWaalsContact CD2-CD1 3.47Å; L773-L777 HydrophobicContact CD2-CG 3.95Å; L773-L777 PolarHBondContact O-N 3.44Å; A774-L777 WeakPolarHBondContact O-CB 3.38Å; A774-L777 PolarHBondContact O-N 3.1Å; A774-L777 VanDerWaalsContact O-N 3.12Å; L777-R779 VanDerWaalsContact C-N 3.32Å; L777-R779 PolarHBondContact O-N 3.33Å; L777-I780 PolarHBondContact O-N 2.98Å; L777-R781 PolarHBondContact O-N 2.78Å; L777-Y804 HydrophobicContact CD2-CE1 4.26Å; L777-L809 HydrophobicContact CD2-CD2 3.45Å; L777-L809 VanDerWaalsContact CD2-CD2 3.45Å; L777-L809 HydrophobicContact CG-CD2 4.08Å
778K87.5Confident84.8Confident142 Ų142104.7 Ų104.762%0.61749%0.494SS*.Hα-helixtrans-57.7-43.9176.9-168.4171.1-177.2174.80111.4A774 I780 R781 Q782A774-K778 PolarHBondContact O-N 3.23Å; K778-I780 VanDerWaalsContact C-N 3.28Å; K778-I780 PolarHBondContact O-N 2.91Å; K778-R781 PolarHBondContact O-N 3.13Å; K778-Q782 WeakPolarHBondContact O-CG 3.36Å; K778-Q782 PolarHBondContact O-N 3.18Å
779R88.2Confident85Confident177 Ų177104.3 Ų104.367%0.66850%0.502SS*.Hα-helixtrans-64.9-22.5173.3-73.2177-179.7-173.3-1.3115K775 L777 K783K775-R779 WeakPolarHBondContact O-CG 3.29Å; K775-R779 PolarHBondContact O-N 2.89Å; L777-R779 VanDerWaalsContact C-N 3.32Å; L777-R779 PolarHBondContact O-N 3.33Å; R779-K783 WeakPolarHBondContact O-CB 3.47Å; R779-K783 VanDerWaalsContact O-CG 3.29Å; R779-K783 WeakPolarHBondContact O-CG 3.31Å; R779-K783 PolarHBondContact O-N 2.91Å
780I86.4Confident84.9Confident11 Ų11105.7 Ų105.76%0.05651%0.511CS..Hα-helixtrans-83.9-40174.7-65.7155.4000109.9R776 L777 K778 K783 A784 L803 Y804 A807 L809R776-I780 HydrophobicContact CG-CD1 4.26Å; R776-I780 VanDerWaalsContact O-CD1 3.25Å; R776-I780 WeakPolarHBondContact O-CD1 3.2Å; R776-I780 WeakPolarHBondContact O-CG1 3.25Å; R776-I780 PolarHBondContact O-N 3.02Å; R776-I780 VanDerWaalsContact O-N 3.15Å; L777-I780 PolarHBondContact O-N 2.98Å; K778-I780 VanDerWaalsContact C-N 3.28Å; K778-I780 PolarHBondContact O-N 2.91Å; I780-K783 CarbonylContact O-C 3.58Å; I780-K783 PolarHBondContact O-N 3.08Å; I780-A784 WeakPolarHBondContact O-CB 3.43Å; I780-A784 PolarHBondContact O-N 3.42Å; I780-L803 HydrophobicContact CG2-CB 4.38Å; I780-Y804 HydrophobicContact CG2-CD1 4.32Å; I780-Y804 HydrophobicContact CG2-CD2 3.79Å; I780-Y804 HydrophobicContact CG2-CE1 4.14Å; I780-Y804 HydrophobicContact CG2-CE2 3.6Å; I780-Y804 HydrophobicContact CG2-CG 4.15Å; I780-A807 HydrophobicContact CD1-CB 3.27Å; I780-A807 HydrophobicContact CG1-CB 4Å; I780-L809 HydrophobicContact CD1-CD1 4.01Å
781R86.1Confident84.9Confident144 Ų144100 Ų10054%0.54349%0.488SS..Hα-helixtrans-59.1-52.1173.6-73.1-175.8177.4176.2-5.3111.1L777 K778 K783 A784 E785L777-R781 PolarHBondContact O-N 2.78Å; K778-R781 PolarHBondContact O-N 3.13Å; R781-K783 PolarHBondContact O-N 2.97Å; R781-K783 VanDerWaalsContact O-N 3.11Å; R781-A784 CarbonylContact O-C 3.55Å; R781-A784 WeakPolarHBondContact O-CA 3.5Å; R781-A784 WeakPolarHBondContact O-CB 3.43Å; R781-A784 PolarHBondContact O-N 3.39Å; R781-E785 WeakPolarHBondContact CB-OE1 3.29Å; R781-E785 WeakPolarHBondContact O-CB 3.47Å; R781-E785 WeakPolarHBondContact O-CG 3.37Å; R781-E785 PolarHBondContact O-N 3.1Å
782Q87.8Confident85.2Confident108 Ų108101.2 Ų101.251%0.50549%0.492SS..Hα-helixtrans-56.1-31.8173.5-70.2175-44.400113.8K778 E785 G786K778-Q782 WeakPolarHBondContact O-CG 3.36Å; K778-Q782 PolarHBondContact O-N 3.18Å; Q782-E785 WeakPolarHBondContact CA-OE2 3.35Å; Q782-G786 PolarHBondContact O-N 3.1Å
783K88.1Confident85.1Confident142 Ų14299.5 Ų99.562%0.61749%0.492SS*.Hα-helixtrans-83.8-12.7175.2-77.1-172.1175.3-1350114.6R779 I780 R781 I787 L803R779-K783 WeakPolarHBondContact O-CB 3.47Å; R779-K783 VanDerWaalsContact O-CG 3.29Å; R779-K783 WeakPolarHBondContact O-CG 3.31Å; R779-K783 PolarHBondContact O-N 2.91Å; I780-K783 CarbonylContact O-C 3.58Å; I780-K783 PolarHBondContact O-N 3.08Å; R781-K783 PolarHBondContact O-N 2.97Å; R781-K783 VanDerWaalsContact O-N 3.11Å; K783-I787 WeakPolarHBondContact O-CG1 3.38Å; K783-L803 HydrophobicContact CB-CD1 4.03Å; K783-L803 HydrophobicContact CB-CD2 4.23Å; K783-L803 HydrophobicContact CD-CD2 4.37Å; K783-L803 VanDerWaalsContact O-CD1 3.28Å; K783-L803 WeakPolarHBondContact O-CD1 3.4Å
784A87.5Confident85.3Confident24 Ų2499.7 Ų99.720%0.19850%0.497CS..Hα-helixtrans-95.9-33174.400000111.2I780 R781 G786 I787 I800 L803I780-A784 WeakPolarHBondContact O-CB 3.43Å; I780-A784 PolarHBondContact O-N 3.42Å; R781-A784 CarbonylContact O-C 3.55Å; R781-A784 WeakPolarHBondContact O-CA 3.5Å; R781-A784 WeakPolarHBondContact O-CB 3.43Å; R781-A784 PolarHBondContact O-N 3.39Å; A784-G786 VanDerWaalsContact C-N 3.33Å; A784-I787 PolarHBondContact O-N 3.32Å; A784-I800 HydrophobicContact CB-CG1 4.27Å; A784-L803 HydrophobicContact CB-CD1 4.44Å
785E86.4Confident85.5Confident140 Ų140102 Ų10265%0.65450%0.499SS*.Hα-helixtrans-64.2-36.1169-70.9150.8-160.200111.2R781 Q782 I787R781-E785 WeakPolarHBondContact CB-OE1 3.29Å; R781-E785 WeakPolarHBondContact O-CB 3.47Å; R781-E785 WeakPolarHBondContact O-CG 3.37Å; R781-E785 PolarHBondContact O-N 3.1Å; Q782-E785 WeakPolarHBondContact CA-OE2 3.35Å; E785-I787 VanDerWaalsContact C-N 3.27Å; E785-I787 PolarHBondContact O-N 3.37Å
786G84.6Confident85.4Confident68 Ų6897.1 Ų97.170%0.70148%0.478SS*.THydrogen-bonded Turntrans-83.824.917500000115.9Q782 A784Q782-G786 PolarHBondContact O-N 3.1Å; A784-G786 VanDerWaalsContact C-N 3.33Å
787I85.1Confident85.5Confident16 Ų1699.2 Ų99.28%0.08249%0.486CS..SBendtrans-99.2122.3170.8-60.7173000107K783 A784 E785 I791 K796 Q799 I800 L803K783-I787 WeakPolarHBondContact O-CG1 3.38Å; A784-I787 PolarHBondContact O-N 3.32Å; E785-I787 VanDerWaalsContact C-N 3.27Å; E785-I787 PolarHBondContact O-N 3.37Å; I787-I791 HydrophobicContact CG2-CD1 3.87Å; I787-K796 HydrophobicContact CG2-CG 4.01Å; I787-Q799 HydrophobicContact CD1-CB 4.07Å; I787-I800 HydrophobicContact CD1-CG1 3.71Å; I787-L803 HydrophobicContact CD1-CD1 4.06Å
788S78.8Confident85.6Confident52 Ų52102.3 Ų102.336%0.36450%0.499SS..  trans-53.2140.6-178.4-1740000111.8E790S788-E790 PolarHBondContact O-N 2.96Å; S788-E790 WeakPolarHBondContact OG-CG 3.48Å; S788-E790 PolarHBondContact OG-N 3.48Å; S788-E790 PolarHBondContact OG-OE2 2.87Å
789D81.3Confident85.7Confident136 Ų13699.1 Ų99.173%0.72749%0.486SS*.THydrogen-bonded Turntrans-72.4-12.9175.6-68.4-39.4000112.7I791 K796D789-I791 PolarHBondContact O-N 3.15Å; D789-K796 IonicContact OD1-NZ 3.88Å; D789-K796 PolarHBondContact OD1-NZ 2.81Å
790E81.8Confident85.7Confident179 Ų17992.6 Ų92.684%0.83646%0.464SS*.THydrogen-bonded Turntrans-73.8-11178.3-59.9163.114900113.8S788S788-E790 PolarHBondContact O-N 2.96Å; S788-E790 WeakPolarHBondContact OG-CG 3.48Å; S788-E790 PolarHBondContact OG-N 3.48Å; S788-E790 PolarHBondContact OG-OE2 2.87Å
791I81.1Confident85.8Confident43 Ų4398.4 Ų98.422%0.22149%0.489CS..SBendtrans-85.4130.7-178.2-63.7163.2000109.1I787 D789 E793 E795 K796I787-I791 HydrophobicContact CG2-CD1 3.87Å; D789-I791 PolarHBondContact O-N 3.15Å; I791-E793 PolarHBondContact O-N 3.32Å; I791-E795 HydrophobicContact CG2-CB 3.63Å; I791-K796 HydrophobicContact CG2-CB 4.44Å
792P88.3Confident85.9Confident74 Ų7496.1 Ų96.148%0.48148%0.484SS..  trans-54.3140.3179.721.3-33000111.8T794 E795 K796P792-T794 PolarHBondContact O-N 3.5Å; P792-E795 HydrophobicContact CG-CB 4.29Å; P792-E795 HydrophobicContact CG-CG 4.09Å; P792-E795 PolarHBondContact O-N 3.26Å; P792-K796 PolarHBondContact O-N 2.99Å
793E83.9Confident85.9Confident152 Ų15292.9 Ų92.971%0.7147%0.47SS*.Hα-helixtrans-54-37.1-167.8-62.1-163.815400113.6I791 E795 K796 W797I791-E793 PolarHBondContact O-N 3.32Å; E793-E795 VanDerWaalsContact C-N 3.34Å; E793-E795 PolarHBondContact O-N 2.95Å; E793-K796 WeakPolarHBondContact O-CB 3.33Å; E793-K796 PolarHBondContact O-N 3.28Å; E793-W797 WeakPolarHBondContact O-CB 3.25Å; E793-W797 PolarHBondContact O-N 2.84Å
794T86.3Confident85.8Confident98 Ų9889.1 Ų89.160%0.60145%0.453SS*.Hα-helixtrans-59.8-42.6178.655.70000111.8P792 Q798P792-T794 PolarHBondContact O-N 3.5Å; T794-Q798 WeakPolarHBondContact O-CG 3.46Å; T794-Q798 PolarHBondContact O-N 2.94Å
795E87.8Confident85.7Confident101 Ų10194.7 Ų94.747%0.47247%0.473SS..Hα-helixtrans-73.2-42.4175.7-68.2-165.9168.300111.8I791 P792 E793 W797 Q798 Q799I791-E795 HydrophobicContact CG2-CB 3.63Å; P792-E795 HydrophobicContact CG-CB 4.29Å; P792-E795 HydrophobicContact CG-CG 4.09Å; P792-E795 PolarHBondContact O-N 3.26Å; E793-E795 VanDerWaalsContact C-N 3.34Å; E793-E795 PolarHBondContact O-N 2.95Å; E795-W797 VanDerWaalsContact C-N 3.29Å; E795-W797 PolarHBondContact O-N 2.96Å; E795-Q798 CarbonylContact O-C 3.53Å; E795-Q798 WeakPolarHBondContact O-CA 3.4Å; E795-Q798 WeakPolarHBondContact O-CB 3.37Å; E795-Q798 PolarHBondContact O-N 3.11Å; E795-Q799 WeakPolarHBondContact O-CG 3.48Å; E795-Q799 PolarHBondContact O-N 2.99Å
796K87.1Confident85.6Confident52 Ų5295.4 Ų95.423%0.22647%0.473CS..Hα-helixtrans-53.8-47.4173.4-165.9176.7-169.7177.80110.8I787 D789 I791 P792 E793 Q798 Q799 I800I787-K796 HydrophobicContact CG2-CG 4.01Å; D789-K796 IonicContact OD1-NZ 3.88Å; D789-K796 PolarHBondContact OD1-NZ 2.81Å; I791-K796 HydrophobicContact CG2-CB 4.44Å; P792-K796 PolarHBondContact O-N 2.99Å; E793-K796 WeakPolarHBondContact O-CB 3.33Å; E793-K796 PolarHBondContact O-N 3.28Å; K796-Q798 PolarHBondContact O-N 3.19Å; K796-Q799 PolarHBondContact O-N 2.97Å; K796-I800 HydrophobicContact CG-CD1 4.38Å; K796-I800 VanDerWaalsContact O-CG1 3.26Å; K796-I800 WeakPolarHBondContact O-CG1 3.49Å; K796-I800 PolarHBondContact O-N 2.85Å
797W85.1Confident85.5Confident175 Ų17592.5 Ų92.566%0.66344%0.443SS*.Hα-helixtrans-61.1-40.4172.3-89.5105.9000113.2E793 E795 K801E793-W797 WeakPolarHBondContact O-CB 3.25Å; E793-W797 PolarHBondContact O-N 2.84Å; E795-W797 VanDerWaalsContact C-N 3.29Å; E795-W797 PolarHBondContact O-N 2.96Å; W797-K801 WeakPolarHBondContact O-CB 3.47Å; W797-K801 PolarHBondContact O-N 3.13Å
798Q88.5Confident85Confident115 Ų11593 Ų9354%0.53745%0.453SS..Hα-helixtrans-65.4-42.6175.1-75.6-17151.300112.4T794 E795 K796 K801 Q802T794-Q798 WeakPolarHBondContact O-CG 3.46Å; T794-Q798 PolarHBondContact O-N 2.94Å; E795-Q798 CarbonylContact O-C 3.53Å; E795-Q798 WeakPolarHBondContact O-CA 3.4Å; E795-Q798 WeakPolarHBondContact O-CB 3.37Å; E795-Q798 PolarHBondContact O-N 3.11Å; K796-Q798 PolarHBondContact O-N 3.19Å; Q798-K801 WeakPolarHBondContact O-CB 3.5Å; Q798-K801 PolarHBondContact O-N 2.97Å; Q798-Q802 WeakPolarHBondContact O-CG 3.39Å; Q798-Q802 PolarHBondContact O-N 3.36Å
799Q88.8Confident84.9Confident74 Ų7494 Ų9435%0.34645%0.453SS..Hα-helixtrans-62.2-46.6176.2-67.7-174.326.400111.1I787 E795 K796 K801 Q802 L803I787-Q799 HydrophobicContact CD1-CB 4.07Å; E795-Q799 WeakPolarHBondContact O-CG 3.48Å; E795-Q799 PolarHBondContact O-N 2.99Å; K796-Q799 PolarHBondContact O-N 2.97Å; Q799-K801 PolarHBondContact O-N 3.31Å; Q799-Q802 WeakPolarHBondContact O-CB 3.49Å; Q799-Q802 PolarHBondContact O-N 3.28Å; Q799-Q802 VanDerWaalsContact O-N 3.16Å; Q799-L803 WeakPolarHBondContact O-CG 3.37Å; Q799-L803 PolarHBondContact O-N 3.01Å
800I88.6Confident84.2Confident41 Ų4192 Ų9221%0.2144%0.442CS..Hα-helixtrans-57.8-49.4172.9-66.9167.1000110.5A784 I787 K796 Q802 L803 Y804A784-I800 HydrophobicContact CB-CG1 4.27Å; I787-I800 HydrophobicContact CD1-CG1 3.71Å; K796-I800 HydrophobicContact CG-CD1 4.38Å; K796-I800 VanDerWaalsContact O-CG1 3.26Å; K796-I800 WeakPolarHBondContact O-CG1 3.49Å; K796-I800 PolarHBondContact O-N 2.85Å; I800-Q802 VanDerWaalsContact C-N 3.27Å; I800-Q802 PolarHBondContact O-N 3.03Å; I800-L803 WeakPolarHBondContact O-CB 3.23Å; I800-L803 PolarHBondContact O-N 3.13Å; I800-Y804 HydrophobicContact CG2-CD2 3.83Å; I800-Y804 HydrophobicContact CG2-CE2 3.8Å; I800-Y804 WeakPolarHBondContact O-CD2 3.27Å; I800-Y804 PolarHBondContact O-N 3.13Å
801K88.2Confident83.5Confident132 Ų13291.1 Ų91.157%0.57444%0.435SS*.Hα-helixtrans-58.4-37.8176.9-173.5177.4-177.2178.30111.8W797 Q798 Q799 K805 L810W797-K801 WeakPolarHBondContact O-CB 3.47Å; W797-K801 PolarHBondContact O-N 3.13Å; Q798-K801 WeakPolarHBondContact O-CB 3.5Å; Q798-K801 PolarHBondContact O-N 2.97Å; Q799-K801 PolarHBondContact O-N 3.31Å; K801-K805 WeakPolarHBondContact O-CB 3.29Å; K801-K805 PolarHBondContact O-N 2.91Å; K801-L810 HydrophobicContact CG-CD2 4.28Å
802Q88.3Confident82.5Confident96 Ų96100.4 Ų100.445%0.44947%0.468SS..Hα-helixtrans-66.4-43.1172.2-73.4-168.13500112.4Q798 Q799 I800 K805 K806Q798-Q802 WeakPolarHBondContact O-CG 3.39Å; Q798-Q802 PolarHBondContact O-N 3.36Å; Q799-Q802 WeakPolarHBondContact O-CB 3.49Å; Q799-Q802 PolarHBondContact O-N 3.28Å; Q799-Q802 VanDerWaalsContact O-N 3.16Å; I800-Q802 VanDerWaalsContact C-N 3.27Å; I800-Q802 PolarHBondContact O-N 3.03Å; Q802-K805 PolarHBondContact O-N 3.4Å; Q802-K806 VanDerWaalsContact O-CB 3.29Å; Q802-K806 WeakPolarHBondContact O-CB 3.17Å; Q802-K806 VanDerWaalsContact O-CG 3.27Å; Q802-K806 WeakPolarHBondContact O-CG 3.41Å; Q802-K806 PolarHBondContact O-N 3.34Å
803L88Confident81.3Confident40 Ų40106.6 Ų106.621%0.20949%0.487CS..Hα-helixtrans-58.3-49.4176-71.6172.7000111.3I780 K783 A784 I787 Q799 I800 K805 K806 A807I780-L803 HydrophobicContact CG2-CB 4.38Å; K783-L803 HydrophobicContact CB-CD1 4.03Å; K783-L803 HydrophobicContact CB-CD2 4.23Å; K783-L803 HydrophobicContact CD-CD2 4.37Å; K783-L803 VanDerWaalsContact O-CD1 3.28Å; K783-L803 WeakPolarHBondContact O-CD1 3.4Å; A784-L803 HydrophobicContact CB-CD1 4.44Å; I787-L803 HydrophobicContact CD1-CD1 4.06Å; Q799-L803 WeakPolarHBondContact O-CG 3.37Å; Q799-L803 PolarHBondContact O-N 3.01Å; I800-L803 WeakPolarHBondContact O-CB 3.23Å; I800-L803 PolarHBondContact O-N 3.13Å; L803-K805 PolarHBondContact O-N 3.26Å; L803-K806 PolarHBondContact O-N 3.18Å; L803-A807 VanDerWaalsContact O-CB 3.31Å; L803-A807 WeakPolarHBondContact O-CB 3.28Å; L803-A807 PolarHBondContact O-N 3.44Å
804Y85.8Confident80.3Confident63 Ų63111 Ų11125%0.24750%0.497CS..Hα-helixtrans-68.9-29.8177.7-78-97.2000113.1L777 I780 I800 G808 L809 L810L777-Y804 HydrophobicContact CD2-CE1 4.26Å; I780-Y804 HydrophobicContact CG2-CD1 4.32Å; I780-Y804 HydrophobicContact CG2-CD2 3.79Å; I780-Y804 HydrophobicContact CG2-CE1 4.14Å; I780-Y804 HydrophobicContact CG2-CE2 3.6Å; I780-Y804 HydrophobicContact CG2-CG 4.15Å; I800-Y804 HydrophobicContact CG2-CD2 3.83Å; I800-Y804 HydrophobicContact CG2-CE2 3.8Å; I800-Y804 WeakPolarHBondContact O-CD2 3.27Å; I800-Y804 PolarHBondContact O-N 3.13Å; Y804-G808 PolarHBondContact O-N 2.83Å; Y804-G808 VanDerWaalsContact O-N 3.1Å; Y804-L809 HydrophobicContact CD1-CB 4.27Å; Y804-L809 HydrophobicContact CD1-CD2 4.23Å; Y804-L809 HydrophobicContact CE1-CD2 4.42Å; Y804-L809 PolarHBondContact O-N 3.45Å; Y804-L809 VanDerWaalsContact O-N 3.1Å; Y804-L810 VanDerWaalsContact CB-CD1 3.44Å; Y804-L810 HydrophobicContact CG-CD1 4.37Å
805K86Confident79.3Confident141 Ų141115.8 Ų115.861%0.61350%0.504SS*.Hα-helixtrans-70.9-44.2172.8-174.7-178.8179.5-174.80112K801 Q802 L803 A807 G808K801-K805 WeakPolarHBondContact O-CB 3.29Å; K801-K805 PolarHBondContact O-N 2.91Å; Q802-K805 PolarHBondContact O-N 3.4Å; L803-K805 PolarHBondContact O-N 3.26Å; K805-A807 VanDerWaalsContact C-N 3.29Å; K805-A807 PolarHBondContact O-N 2.99Å; K805-G808 WeakPolarHBondContact O-CA 3.48Å; K805-G808 PolarHBondContact O-N 2.91Å
806K85.2Confident78.4Confident155 Ų155114.2 Ų114.267%0.67450%0.503SS*.Hα-helixtrans-61.2-37.5171.6-74.5167.5177.4166.10110.7Q802 L803 G808Q802-K806 VanDerWaalsContact O-CB 3.29Å; Q802-K806 WeakPolarHBondContact O-CB 3.17Å; Q802-K806 VanDerWaalsContact O-CG 3.27Å; Q802-K806 WeakPolarHBondContact O-CG 3.41Å; Q802-K806 PolarHBondContact O-N 3.34Å; L803-K806 PolarHBondContact O-N 3.18Å; K806-G808 PolarHBondContact O-N 3.32Å
807A80.7Confident77.6Confident7 Ų7116.1 Ų116.16%0.05852%0.515CS..THydrogen-bonded Turntrans-72.1-12.1171.300000114.7R776 I780 L803 K805 L809R776-A807 PolarHBondContact NE-O 3.38Å; R776-A807 PolarHBondContact NH1-O 3.17Å; R776-A807 PolarHBondContact NH2-O 3.22Å; R776-A807 VanDerWaalsContact NH2-O 3.08Å; I780-A807 HydrophobicContact CD1-CB 3.27Å; I780-A807 HydrophobicContact CG1-CB 4Å; L803-A807 VanDerWaalsContact O-CB 3.31Å; L803-A807 WeakPolarHBondContact O-CB 3.28Å; L803-A807 PolarHBondContact O-N 3.44Å; K805-A807 VanDerWaalsContact C-N 3.29Å; K805-A807 PolarHBondContact O-N 2.99Å; A807-L809 HydrophobicContact CB-CD1 3.65Å; A807-L809 PolarHBondContact O-N 3.05Å
808G76.5Confident77.3Confident28 Ų28110.2 Ų110.229%0.28950%0.495SS..THydrogen-bonded Turntrans70.912.5179.200000115Y804 K805 K806 K811Y804-G808 PolarHBondContact O-N 2.83Å; Y804-G808 VanDerWaalsContact O-N 3.1Å; K805-G808 WeakPolarHBondContact O-CA 3.48Å; K805-G808 PolarHBondContact O-N 2.91Å; K806-G808 PolarHBondContact O-N 3.32Å; G808-K811 PolarHBondContact O-N 3.35Å
809L74.9Confident76.8Confident71 Ų71106.5 Ų106.537%0.37248%0.48SS..THydrogen-bonded Turntrans-71.7-33.1175.1-84.380.2000111.5L777 I780 Y804 A807 K811L777-L809 HydrophobicContact CD2-CD2 3.45Å; L777-L809 VanDerWaalsContact CD2-CD2 3.45Å; L777-L809 HydrophobicContact CG-CD2 4.08Å; I780-L809 HydrophobicContact CD1-CD1 4.01Å; Y804-L809 HydrophobicContact CD1-CB 4.27Å; Y804-L809 HydrophobicContact CD1-CD2 4.23Å; Y804-L809 HydrophobicContact CE1-CD2 4.42Å; Y804-L809 PolarHBondContact O-N 3.45Å; Y804-L809 VanDerWaalsContact O-N 3.1Å; A807-L809 HydrophobicContact CB-CD1 3.65Å; A807-L809 PolarHBondContact O-N 3.05Å; L809-K811 PolarHBondContact O-N 3.12Å
810L68Low76.2Confident96 Ų96105.6 Ų105.650%0.50348%0.479SS..THydrogen-bonded Turntrans-73.6-4.2174-96.180.3000114.5K801 Y804 R812K801-L810 HydrophobicContact CG-CD2 4.28Å; Y804-L810 VanDerWaalsContact CB-CD1 3.44Å; Y804-L810 HydrophobicContact CG-CD1 4.37Å; L810-R812 PolarHBondContact O-N 3.03Å
811K66Low75.5Confident159 Ų159105.6 Ų105.669%0.69148%0.481SS*.  trans-78.892.8179.9-68.9-175178.6-178.60110.1G808 L809 K813G808-K811 PolarHBondContact O-N 3.35Å; L809-K811 PolarHBondContact O-N 3.12Å; K811-K813 PolarHBondContact O-N 3.14Å
812R60.6Low74.4Confident238 Ų238104.1 Ų104.190%0.89848%0.479SS*.  trans-47.1127.5170.5-62.7179.491.71737.2109.3L810 R814L810-R812 PolarHBondContact O-N 3.03Å; R812-R814 PolarHBondContact O-N 3.5Å
813K62.4Low73.3Confident204 Ų204102.8 Ų102.889%0.88748%0.478SS*.  trans-56.3114.4174-71.6-179.9-179.7174.20108.4K811 R815K811-K813 PolarHBondContact O-N 3.14Å; K813-R815 PolarHBondContact O-N 3.42Å
814R62.9Low72.1Confident245 Ų245111.9 Ų111.993%0.92552%0.516SS*.PPolyproline II helixtrans-61.4127.3174.8-80.3-175.3157.6-175.6-7.3108.6R812R812-R814 PolarHBondContact O-N 3.5Å
815R66.4Low70.7Confident199 Ų199113 Ų11375%0.75154%0.538SS*.PPolyproline II helixtrans-58.1140.1171.4-67.4179.3178.7179.20.3108.5K813 G837K813-R815 PolarHBondContact O-N 3.42Å; R815-G837 WeakPolarHBondContact CD-O 3.26Å
816P69.2Low69Low67 Ų67108.6 Ų108.644%0.43553%0.532SS..PPolyproline II helixtrans-60.3141.2175.724.8-31.8000110A838 K839P816-A838 HydrophobicContact CG-CB 4.01Å; P816-A838 CarbonylContact O-C 3.59Å; P816-A838 VanDerWaalsContact O-CA 3.28Å; P816-A838 WeakPolarHBondContact O-CA 3.43Å; P816-A838 WeakPolarHBondContact O-CB 3.34Å; P816-K839 PolarHBondContact O-N 2.78Å
817L70.6Confident67.2Low92 Ų92106.2 Ų106.248%0.48254%0.536SS..EExtended strand (participates in β ladder)trans-90.7121.1175.4-170.688000108.4V819 K839 K841L817-V819 HydrophobicContact CD2-CG2 3.88Å; L817-V819 HydrophobicContact CG-CG2 4.45Å; L817-K839 WeakPolarHBondContact CA-O 3.48Å; L817-K841 HydrophobicContact CD1-CB 4.19Å
818H78.2Confident65.6Low52 Ų52117.3 Ų117.324%0.24158%0.576CS.*EExtended strand (participates in β ladder)trans-100.9120174-164.5-95.6000109.5P834 A838 K839 I840 K841H818-P834 HydrophobicContact CB-CB 4.33Å; H818-A838 HydrophobicContact CB-CB 4.08Å; H818-K839 PolarHBondContact N-O 3.46Å; H818-I840 CarbonylContact O-C 3.57Å; H818-I840 WeakPolarHBondContact O-CA 3.5Å; H818-K841 PolarHBondContact O-N 3.04Å
819V76.7Confident64.2Low37 Ų37121 Ų12122%0.22460%0.597CS.*EExtended strand (participates in β ladder)trans-98.8111.8-176.2177.60000109.4L817 K841 V843 K848 L851L817-V819 HydrophobicContact CD2-CG2 3.88Å; L817-V819 HydrophobicContact CG-CG2 4.45Å; V819-K841 WeakPolarHBondContact CA-O 3.5Å; V819-V843 HydrophobicContact CG1-CB 3.74Å; V819-V843 HydrophobicContact CG1-CG1 4.21Å; V819-V843 HydrophobicContact CG1-CG2 3.73Å; V819-K848 HydrophobicContact CG1-CB 4.29Å; V819-K848 HydrophobicContact CG1-CD 4.29Å; V819-K848 HydrophobicContact CG1-CG 4.11Å; V819-L851 HydrophobicContact CG2-CD1 4.33Å
820V76.4Confident63.2Low54 Ų54121.8 Ų121.833%0.32762%0.622SS.*EExtended strand (participates in β ladder)trans-102.9134.9178.3-179.70000108.7I840 K841 I842 V843V820-I840 HydrophobicContact CG2-CG2 3.9Å; V820-K841 PolarHBondContact N-O 2.88Å; V820-I842 WeakPolarHBondContact O-CA 3.4Å; V820-V843 PolarHBondContact O-N 3.32Å
821V74.1Confident62.7Low42 Ų42120.2 Ų120.226%0.25563%0.63SS.*EExtended strand (participates in β ladder)trans-87.5126.1-179.7-175.30000110T823 V843 K845 K848V821-T823 HydrophobicContact CG1-CG2 4.37Å; V821-V843 VanDerWaalsContact CA-O 3.25Å; V821-V843 WeakPolarHBondContact CA-O 3.17Å; V821-K845 HydrophobicContact CG1-CB 4.48Å; V821-K848 HydrophobicContact CG2-CB 4.47Å; V821-K848 HydrophobicContact CG2-CD 3.22Å; V821-K848 HydrophobicContact CG2-CG 4.45Å
822N66.2Low62.5Low100 Ų100118.7 Ų118.754%0.53563%0.633SS.*PPolyproline II helixtrans-74.8136.9170.6-15610000110I842 V843N822-I842 HydrophobicContact CB-CG2 3.8Å; N822-V843 PolarHBondContact N-O 2.79Å
823T64.7Low62.6Low69 Ų69116.4 Ų116.442%0.42363%0.63SS.*  trans-140.4138.1176.646.90000107.7V821 A825 G826V821-T823 HydrophobicContact CG1-CG2 4.37Å; T823-A825 PolarHBondContact O-N 2.82Å; T823-G826 PolarHBondContact O-N 3.29Å; T823-G826 VanDerWaalsContact O-N 3.1Å
824K62.1Low62.7Low231 Ų231109.8 Ų109.8100%1.00461%0.608SS**THydrogen-bonded Turntrans-54.7-21.3-174-77-173.7171.4-174.40114
825A56.8Low62.9Low86 Ų86105 Ų10571%0.71160%0.596SS**THydrogen-bonded Turntrans-97.822.1-179.300000115.4T823T823-A825 PolarHBondContact O-N 2.82Å
826G50.6Low63Low48 Ų48106.3 Ų106.350%0.49561%0.607SS.*THydrogen-bonded Turntrans67.265.816400000116.8T823 R828T823-G826 PolarHBondContact O-N 3.29Å; T823-G826 VanDerWaalsContact O-N 3.1Å; G826-R828 PolarHBondContact O-N 3.16Å
827S48.1Very low63.1Low106 Ų106105.6 Ų105.674%0.74161%0.612SS**THydrogen-bonded Turntrans596.716279.10000119.7S829S827-S829 PolarHBondContact O-N 3.27Å; S827-S829 VanDerWaalsContact O-N 3.09Å
828R46.6Very low63.3Low240 Ų240102.2 Ų102.291%0.90660%0.597SS**  trans-69.2-3.2-175.6-83.1-178.2156.8178-6.9116.8G826 G830G826-R828 PolarHBondContact O-N 3.16Å; R828-G830 PolarHBondContact O-N 3.47Å
829S46.9Very low63.3Low105 Ų105106.7 Ų106.773%0.73462%0.616SS**SBendtrans-95.688-175.31730000114.4S827 G831S827-S829 PolarHBondContact O-N 3.27Å; S827-S829 VanDerWaalsContact O-N 3.09Å; S829-G831 PolarHBondContact O-N 3.3Å
830G53.2Low63.5Low87 Ų87109.4 Ų109.490%0.89763%0.628SS**  trans54.75.8144.100000121.3R828R828-G830 PolarHBondContact O-N 3.47Å
831G59Low63.7Low64 Ų64111.2 Ų111.266%0.6663%0.632SS**PPolyproline II helixtrans-73141.9-171.200000114.5S829 K833S829-G831 PolarHBondContact O-N 3.3Å; G831-K833 PolarHBondContact O-N 2.87Å
832T60Low63.9Low126 Ų126114.8 Ų114.877%0.77365%0.649SS**PPolyproline II helixtrans-56.6130.7176.2-34.30000111.3
833K64.2Low64.6Low190 Ų190110.2 Ų110.283%0.82662%0.624SS**PPolyproline II helixtrans-59.4135.7179.4-66-177.8179.21770110.6G831G831-K833 PolarHBondContact O-N 2.87Å
834P64.1Low65.4Low65 Ų65111.4 Ų111.442%0.42263%0.628SS.*PPolyproline II helixtrans-63.5140.3-177.125.1-34.1000111.9H818 K836 I840H818-P834 HydrophobicContact CB-CB 4.33Å; P834-K836 PolarHBondContact O-N 3.03Å; P834-I840 HydrophobicContact CG-CD1 4.31Å
835Q67Low66.1Low145 Ų145109.1 Ų109.168%0.67862%0.618SS**PPolyproline II helixtrans-60.1136.2174.7-71-175.1-20.600111.2G837 A838Q835-G837 PolarHBondContact O-N 2.98Å; Q835-A838 WeakPolarHBondContact O-CB 3.43Å; Q835-A838 PolarHBondContact O-N 3.47Å
836K68.2Low67.4Low226 Ų226114.9 Ų114.998%0.98362%0.621SS**THydrogen-bonded Turntrans-55.9107.5-176.8-160.3173.4-173.8177.40110.8P834P834-K836 PolarHBondContact O-N 3.03Å
837G70.8Confident69Low53 Ų53116.5 Ų116.555%0.54662%0.617SS.*THydrogen-bonded Turntrans100.45.6-178.300000116.7R815 Q835R815-G837 WeakPolarHBondContact CD-O 3.26Å; Q835-G837 PolarHBondContact O-N 2.98Å
838A76Confident70.7Confident20 Ų20116.2 Ų116.217%0.16560%0.602CS.*  trans-67.1147.8170.100000112.1P816 H818 Q835 I840P816-A838 HydrophobicContact CG-CB 4.01Å; P816-A838 CarbonylContact O-C 3.59Å; P816-A838 VanDerWaalsContact O-CA 3.28Å; P816-A838 WeakPolarHBondContact O-CA 3.43Å; P816-A838 WeakPolarHBondContact O-CB 3.34Å; H818-A838 HydrophobicContact CB-CB 4.08Å; Q835-A838 WeakPolarHBondContact O-CB 3.43Å; Q835-A838 PolarHBondContact O-N 3.47Å; A838-I840 PolarHBondContact O-N 2.97Å
839K78.1Confident72.4Confident146 Ų146107.7 Ų107.764%0.63558%0.583SS**EExtended strand (participates in β ladder)trans-83.5113.4169-176.1171.2-178.5173.70108.3P816 L817 H818P816-K839 PolarHBondContact O-N 2.78Å; L817-K839 WeakPolarHBondContact CA-O 3.48Å; H818-K839 PolarHBondContact N-O 3.46Å
840I80.5Confident74.3Confident94 Ų94106.5 Ų106.548%0.48257%0.569SS.*EExtended strand (participates in β ladder)trans-73.9134.8175.7-59.6172.1000108.6H818 V820 P834 A838H818-I840 CarbonylContact O-C 3.57Å; H818-I840 WeakPolarHBondContact O-CA 3.5Å; V820-I840 HydrophobicContact CG2-CG2 3.9Å; P834-I840 HydrophobicContact CG-CD1 4.31Å; A838-I840 PolarHBondContact O-N 2.97Å
841K79.6Confident75.7Confident93 Ų93104.4 Ų104.440%0.40454%0.537SS..EExtended strand (participates in β ladder)trans-125124.1164.4-167.9-178.4179.1-179.90107.9L817 H818 V819 V820 V843L817-K841 HydrophobicContact CD1-CB 4.19Å; H818-K841 PolarHBondContact O-N 3.04Å; V819-K841 WeakPolarHBondContact CA-O 3.5Å; V820-K841 PolarHBondContact N-O 2.88Å; K841-V843 HydrophobicContact CB-CG2 4.14Å; K841-V843 HydrophobicContact CD-CG2 3.89Å; K841-V843 HydrophobicContact CG-CG2 3.72Å
842I80.2Confident76.8Confident117 Ų117109.7 Ų109.760%0.654%0.536SS*.EExtended strand (participates in β ladder)trans-80.1133.1170.8-57.8172.9000107.3V820 N822V820-I842 WeakPolarHBondContact O-CA 3.4Å; N822-I842 HydrophobicContact CB-CG2 3.8Å
843V80.7Confident77.9Confident4 Ų4105.5 Ų105.52%0.02452%0.518CS..EExtended strand (participates in β ladder)trans-152.6136.9-166.7-178.20000109.8V819 V820 V821 N822 K841 M847 K848 L851V819-V843 HydrophobicContact CG1-CB 3.74Å; V819-V843 HydrophobicContact CG1-CG1 4.21Å; V819-V843 HydrophobicContact CG1-CG2 3.73Å; V820-V843 PolarHBondContact O-N 3.32Å; V821-V843 VanDerWaalsContact CA-O 3.25Å; V821-V843 WeakPolarHBondContact CA-O 3.17Å; N822-V843 PolarHBondContact N-O 2.79Å; K841-V843 HydrophobicContact CB-CG2 4.14Å; K841-V843 HydrophobicContact CD-CG2 3.89Å; K841-V843 HydrophobicContact CG-CG2 3.72Å; V843-M847 HydrophobicContact CG1-CB 3.21Å; V843-M847 HydrophobicContact CG1-CE 4.44Å; V843-M847 HydrophobicContact CG1-CG 4.38Å; V843-M847 HydrophobicContact CG1-SD 4.38Å; V843-K848 HydrophobicContact CG1-CB 4.29Å; V843-L851 HydrophobicContact CG1-CD1 4.13Å; V843-L851 HydrophobicContact CG2-CD1 4.18Å
844D81.1Confident78.8Confident93 Ų93101.3 Ų101.350%0.49750%0.502SS..  trans-73.8165.2176.7-61.6-32000113.3R846 M847 K848D844-R846 PolarHBondContact O-N 3.3Å; D844-M847 PolarHBondContact O-N 3.32Å; D844-K848 PolarHBondContact O-N 3.45Å
845K77.4Confident79.4Confident183 Ų183103.7 Ų103.780%0.79651%0.507SS*.Hα-helixtrans-53.1-40.7-177-167.1178.8-179.6-1760112.5V821 A849V821-K845 HydrophobicContact CG1-CB 4.48Å; K845-A849 PolarHBondContact O-N 3.44Å
846R83Confident80Confident207 Ų207103.9 Ų103.978%0.78151%0.506SS*.Hα-helixtrans-64.7-57.7176.5-171.7174.6-176.8170.61.9111.8D844 K848 A849 D850D844-R846 PolarHBondContact O-N 3.3Å; R846-K848 PolarHBondContact O-N 2.82Å; R846-K848 VanDerWaalsContact O-N 3.13Å; R846-A849 WeakPolarHBondContact O-CA 3.5Å; R846-A849 VanDerWaalsContact O-CB 3.29Å; R846-A849 WeakPolarHBondContact O-CB 3.32Å; R846-A849 PolarHBondContact O-N 2.57Å; R846-D850 PolarHBondContact O-N 3.27Å
847M84.1Confident80.4Confident82 Ų8295.9 Ų95.940%0.40448%0.482SS..Hα-helixtrans-58.7-29.5177.7-76.7-17472.400113.6V843 D844 D850 L851V843-M847 HydrophobicContact CG1-CB 3.21Å; V843-M847 HydrophobicContact CG1-CE 4.44Å; V843-M847 HydrophobicContact CG1-CG 4.38Å; V843-M847 HydrophobicContact CG1-SD 4.38Å; D844-M847 PolarHBondContact O-N 3.32Å; M847-D850 PolarHBondContact O-N 3.35Å; M847-L851 WeakPolarHBondContact O-CB 3.4Å; M847-L851 VanDerWaalsContact O-CG 3.27Å; M847-L851 WeakPolarHBondContact O-CG 3.49Å; M847-L851 PolarHBondContact O-N 3.03Å
848K83.1Confident80.7Confident101 Ų10199.2 Ų99.244%0.43948%0.481SS..Hα-helixtrans-67.3-37.4173178.7173.21731800111.7V819 V821 V843 D844 R846 R852V819-K848 HydrophobicContact CG1-CB 4.29Å; V819-K848 HydrophobicContact CG1-CD 4.29Å; V819-K848 HydrophobicContact CG1-CG 4.11Å; V821-K848 HydrophobicContact CG2-CB 4.47Å; V821-K848 HydrophobicContact CG2-CD 3.22Å; V821-K848 HydrophobicContact CG2-CG 4.45Å; V843-K848 HydrophobicContact CG1-CB 4.29Å; D844-K848 PolarHBondContact O-N 3.45Å; R846-K848 PolarHBondContact O-N 2.82Å; R846-K848 VanDerWaalsContact O-N 3.13Å; K848-R852 WeakPolarHBondContact O-CB 3.39Å; K848-R852 PolarHBondContact O-N 2.92Å
849A84.1Confident80.5Confident60 Ų60102.3 Ų102.350%0.49650%0.495SS..Hα-helixtrans-64.9-46.6171.700000110.8K845 R846 L851 R852 G853K845-A849 PolarHBondContact O-N 3.44Å; R846-A849 WeakPolarHBondContact O-CA 3.5Å; R846-A849 VanDerWaalsContact O-CB 3.29Å; R846-A849 WeakPolarHBondContact O-CB 3.32Å; R846-A849 PolarHBondContact O-N 2.57Å; A849-L851 PolarHBondContact O-N 2.97Å; A849-R852 WeakPolarHBondContact O-CB 3.35Å; A849-R852 PolarHBondContact O-N 3.42Å; A849-R852 VanDerWaalsContact O-N 3.1Å; A849-G853 PolarHBondContact O-N 2.98Å
850D85.6Confident79.8Confident81 Ų8197.6 Ų97.643%0.43349%0.488SS..Hα-helixtrans-61-45.4179.6-57.4-34.2000112.1R846 M847 R852 G853 Q854R846-D850 PolarHBondContact O-N 3.27Å; M847-D850 PolarHBondContact O-N 3.35Å; D850-R852 VanDerWaalsContact C-N 3.3Å; D850-R852 PolarHBondContact O-N 3.03Å; D850-G853 PolarHBondContact O-N 3.39Å; D850-Q854 WeakPolarHBondContact O-CG 3.26Å; D850-Q854 PolarHBondContact O-N 2.98Å
851L84Confident78.9Confident43 Ų43101.4 Ų101.423%0.22550%0.501CS..Hα-helixtrans-62.2-35.9175.5-73.9173.9000112.2V819 V843 M847 A849 Q855V819-L851 HydrophobicContact CG2-CD1 4.33Å; V843-L851 HydrophobicContact CG1-CD1 4.13Å; V843-L851 HydrophobicContact CG2-CD1 4.18Å; M847-L851 WeakPolarHBondContact O-CB 3.4Å; M847-L851 VanDerWaalsContact O-CG 3.27Å; M847-L851 WeakPolarHBondContact O-CG 3.49Å; M847-L851 PolarHBondContact O-N 3.03Å; A849-L851 PolarHBondContact O-N 2.97Å; L851-Q855 WeakPolarHBondContact O-CG 3.43Å; L851-Q855 PolarHBondContact O-N 3.23Å
852R81.2Confident77.7Confident174 Ų174103.3 Ų103.366%0.65751%0.509SS*.Hα-helixtrans-69.8-39.4175.1-165.4-177.9-172-157.14.1111.3K848 A849 D850 Q855 K856K848-R852 WeakPolarHBondContact O-CB 3.39Å; K848-R852 PolarHBondContact O-N 2.92Å; A849-R852 WeakPolarHBondContact O-CB 3.35Å; A849-R852 PolarHBondContact O-N 3.42Å; A849-R852 VanDerWaalsContact O-N 3.1Å; D850-R852 VanDerWaalsContact C-N 3.3Å; D850-R852 PolarHBondContact O-N 3.03Å; R852-Q855 PolarHBondContact O-N 3.46Å; R852-K856 PolarHBondContact O-N 3.35Å
853G83Confident76.3Confident38 Ų38105.5 Ų105.539%0.39252%0.516SS..Hα-helixtrans-61.5-49.4172.300000112.1A849 D850 Q855 K856 A857A849-G853 PolarHBondContact O-N 2.98Å; D850-G853 PolarHBondContact O-N 3.39Å; G853-Q855 VanDerWaalsContact C-N 3.29Å; G853-Q855 PolarHBondContact O-N 3.31Å; G853-K856 PolarHBondContact O-N 3.48Å; G853-A857 WeakPolarHBondContact O-CB 3.33Å; G853-A857 PolarHBondContact O-N 2.91Å
854Q82.3Confident74.9Confident102 Ų102108 Ų10848%0.47754%0.543SS..Hα-helixtrans-60-35.8175.4-72-171.62200113.1D850 K858D850-Q854 WeakPolarHBondContact O-CG 3.26Å; D850-Q854 PolarHBondContact O-N 2.98Å; Q854-K858 WeakPolarHBondContact O-CB 3.47Å; Q854-K858 WeakPolarHBondContact O-CD 3.48Å; Q854-K858 VanDerWaalsContact O-CG 3.23Å; Q854-K858 WeakPolarHBondContact O-CG 3.24Å; Q854-K858 PolarHBondContact O-N 3.33Å
855Q78.1Confident73.5Confident115 Ų115112.7 Ų112.754%0.53756%0.559SS.*Hα-helixtrans-66.3-50.3173.9-78.9179.1-4.500111.4L851 R852 G853 A857 K858 D859L851-Q855 WeakPolarHBondContact O-CG 3.43Å; L851-Q855 PolarHBondContact O-N 3.23Å; R852-Q855 PolarHBondContact O-N 3.46Å; G853-Q855 VanDerWaalsContact C-N 3.29Å; G853-Q855 PolarHBondContact O-N 3.31Å; Q855-A857 VanDerWaalsContact C-N 3.31Å; Q855-A857 PolarHBondContact O-N 2.7Å; Q855-K858 PolarHBondContact O-N 3.17Å; Q855-K858 VanDerWaalsContact O-N 3.1Å; Q855-D859 PolarHBondContact O-N 3.22Å
856K78.6Confident72.1Confident150 Ų150114.8 Ų114.865%0.65256%0.562SS**Hα-helixtrans-54.2-46.1175-76-173.1173.7-1700111.9R852 G853 K858 D859 G860R852-K856 PolarHBondContact O-N 3.35Å; G853-K856 PolarHBondContact O-N 3.48Å; K856-K858 PolarHBondContact O-N 2.99Å; K856-D859 PolarHBondContact O-N 3.49Å; K856-G860 PolarHBondContact O-N 3.44Å
857A78Confident70.4Confident57 Ų57114 Ų11447%0.47156%0.564SS.*Hα-helixtrans-63.1-38.5177.700000113.1G853 Q855 K861G853-A857 WeakPolarHBondContact O-CB 3.33Å; G853-A857 PolarHBondContact O-N 2.91Å; Q855-A857 VanDerWaalsContact C-N 3.31Å; Q855-A857 PolarHBondContact O-N 2.7Å; A857-K861 WeakPolarHBondContact O-CG 3.35Å; A857-K861 PolarHBondContact O-N 3.13Å; A857-K861 VanDerWaalsContact O-N 3.12Å
858K76Confident68.7Low124 Ų124117.1 Ų117.154%0.53958%0.583SS.*Hα-helixtrans-70.1-34.3177.7-78.2165.7-176.7158.50112.9Q854 Q855 K856Q854-K858 WeakPolarHBondContact O-CB 3.47Å; Q854-K858 WeakPolarHBondContact O-CD 3.48Å; Q854-K858 VanDerWaalsContact O-CG 3.23Å; Q854-K858 WeakPolarHBondContact O-CG 3.24Å; Q854-K858 PolarHBondContact O-N 3.33Å; Q855-K858 PolarHBondContact O-N 3.17Å; Q855-K858 VanDerWaalsContact O-N 3.1Å; K856-K858 PolarHBondContact O-N 2.99Å
859D71Confident66.9Low85 Ų85121.8 Ų121.846%0.45560%0.603SS.*Hα-helixtrans-82.9-33.7178.6-69.8-30.7000112.3Q855 K856 K861 K862 H863Q855-D859 PolarHBondContact O-N 3.22Å; K856-D859 PolarHBondContact O-N 3.49Å; D859-K861 PolarHBondContact O-N 2.95Å; D859-K862 PolarHBondContact O-N 3.25Å; D859-K862 VanDerWaalsContact O-N 3.14Å; D859-K862 IonicContact OD1-NZ 2.57Å; D859-K862 PolarHBondContact OD1-NZ 3.04Å; D859-H863 PolarHBondContact O-N 3.21Å
860G65.4Low65.1Low47 Ų47125.4 Ų125.449%0.48562%0.618SS.*Hα-helixtrans-56.7-48.2166.800000112.6K856 K862 H863 G864K856-G860 PolarHBondContact O-N 3.44Å; G860-K862 PolarHBondContact O-N 2.98Å; G860-K862 VanDerWaalsContact O-N 3.13Å; G860-H863 PolarHBondContact O-N 3.48Å; G860-H863 VanDerWaalsContact O-N 3.13Å; G860-G864 PolarHBondContact O-N 3.25Å
861K61.3Low62.7Low174 Ų174125.2 Ų125.276%0.75764%0.635SS**Hα-helixtrans-61.3-20.4176.2-78.6-174.6176.2-177.20114.4A857 D859A857-K861 WeakPolarHBondContact O-CG 3.35Å; A857-K861 PolarHBondContact O-N 3.13Å; A857-K861 VanDerWaalsContact O-N 3.12Å; D859-K861 PolarHBondContact O-N 2.95Å
862K54.4Low60.7Low133 Ų133134.7 Ų134.758%0.57867%0.668SS**Hα-helixtrans-82.3-31.8174.6-73.6176.2-163.5147.70113.6D859 G860D859-K862 PolarHBondContact O-N 3.25Å; D859-K862 VanDerWaalsContact O-N 3.14Å; D859-K862 IonicContact OD1-NZ 2.57Å; D859-K862 PolarHBondContact OD1-NZ 3.04Å; G860-K862 PolarHBondContact O-N 2.98Å; G860-K862 VanDerWaalsContact O-N 3.13Å
863H50.4Low59Low162 Ų162132.7 Ų132.775%0.7568%0.677SS**Hα-helixtrans-77.1-34.8178.1-95.5-78000112.4D859 G860 K865D859-H863 PolarHBondContact O-N 3.21Å; G860-H863 PolarHBondContact O-N 3.48Å; G860-H863 VanDerWaalsContact O-N 3.13Å; H863-K865 PolarHBondContact O-N 2.95Å
864G50.3Low57Low56 Ų56134.4 Ų134.458%0.57770%0.696SS**Hα-helixtrans-61-37.9177.200000114.5G860 R866G860-G864 PolarHBondContact O-N 3.25Å; G864-R866 VanDerWaalsContact C-N 3.28Å; G864-R866 PolarHBondContact O-N 3.36Å
865K51.6Low55Low193 Ų193140.4 Ų140.484%0.83971%0.714SS**THydrogen-bonded Turntrans-77.45-174.8-81-166.4171.7-170.60116.3H863H863-K865 PolarHBondContact O-N 2.95Å
866R49.1Very low53.3Low226 Ų226140.6 Ų140.685%0.85373%0.725SS**THydrogen-bonded Turntrans-113.2-1.4-178.3-67-169.574.6-176.31.1115.9G864G864-R866 VanDerWaalsContact C-N 3.28Å; G864-R866 PolarHBondContact O-N 3.36Å
867K47.8Very low51.8Low191 Ų191142 Ų14283%0.8373%0.731SS**SBendtrans-89.1-21.2176.4-79.6-167.9170.4-171.60114.6
868N47.2Very low50.4Low148 Ų148144.6 Ų144.679%0.79175%0.746SS**SBendtrans-110.779.3-176.6-66.316000112.4
869K45.3Very low48.7Very low199 Ų199150.5 Ų150.587%0.86577%0.765SS**SBendtrans-167.1128.1145.7-121.2174.9179.31790113.3
870V45.8Very low47.5Very low136 Ų136150.1 Ų150.182%0.82478%0.78SS**  trans67.291.6168.2-162.60000115.5
871G36.5Very low46.6Very low76 Ų76155.5 Ų155.578%0.78480%0.796SS**  trans-79.9152.5155.100000111.3
872R41.2Very low46Very low242 Ų242151 Ų15191%0.91380%0.8SS**  trans-132.3133.6152.8-107.9-176.2170.3-170.7-4.1106.1
873P46.1Very low45.8Very low132 Ų132154.1 Ų154.186%0.85781%0.813SS**  trans-71.6156.7-169.129.1-34.8000112.2
874G39.7Very low45.4Very low75 Ų75158.3 Ų158.377%0.77382%0.822SS**  trans-78.4164.3-174.500000114.3
875R42.1Very low45Very low228 Ų228170.9 Ų170.986%0.8685%0.852SS**  trans-111.2111.3169.5-164.5-176.9-165.8-163.87.1107.8
876P41.9Very low44.6Very low119 Ų119169.8 Ų169.877%0.77385%0.853SS**  trans-84.7137.4178.332.9-31.8000110.5
877K46.8Very low44.4Very low179 Ų179166.8 Ų166.878%0.77885%0.853SS**  trans-141.7120159.9-82.1-156.3170.5-166.10111.3
878S48.1Very low44.2Very low111 Ų111165.4 Ų165.478%0.77685%0.854SS**  trans37.3111.2150.859.20000119.4G880S878-G880 PolarHBondContact O-N 3.37Å
879R40.8Very low44.1Very low249 Ų249166.5 Ų166.594%0.9486%0.858SS**  trans-75.4112.6149.3-76.5177.6167.1173.2-5.2108.8
880G46.5Very low44Very low76 Ų76164.4 Ų164.478%0.78486%0.857SS**  trans-79.4128.1163.400000110S878S878-G880 PolarHBondContact O-N 3.37Å
881I44.9Very low43.9Very low160 Ų160166.3 Ų166.382%0.82186%0.86SS**  trans-85.3112.9176.5-70.2166.7000108.5
882G49.7Very low44.4Very low80 Ų80172.8 Ų172.883%0.82587%0.865SS**  trans-91107.6163.900000109.8
883K49.8Very low44.6Very low199 Ų199167.5 Ų167.587%0.86586%0.861SS**  trans-79.1147.9167.6-102.1-178.3176.3178.30109.8
884R42.8Very low44.5Very low249 Ų249170.4 Ų170.494%0.9486%0.862SS**  trans-48.6131.2169.4-69.1161.9148.7174.5-10.6112.1
885R41.1Very low44.9Very low320 Ų320179.1 Ų179.1100%1.20887%0.87SS**  -147.10108.5-135.7176.3-174.4178.90.7109.6

Retrieved 885 of 885 residues in 584.3 ms (Link to these results)

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