A0A096M576_POEFO Loading...

UDP-glucose 6-dehydrogenase

Involved in the biosynthesis of glycosaminoglycans; hyaluronan, chondroitin sulfate, and heparan sulfate.

AlphaFold DB , UniProt , Accession A0A096M576, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 498 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
1M66.9Low94.5Very high198 Ų19860.8 Ų60.898%0.97528%0.278SS*.  0140.80-165.1175.1-72.600106.2E3M1-E3 PolarHBondContact O-N 3.36Å
2F91.9Very high94.6Very high69 Ų6955.8 Ų55.830%0.30326%0.255SS..  trans-72.8122.8176.6178.8-98.8000108.3I4 D83 Y123 I125 A194F2-I4 HydrophobicContact CD1-CG1 4.29Å; F2-I4 HydrophobicContact CE1-CG1 3.88Å; F2-D83 HydrophobicContact CE1-CB 4.27Å; F2-D83 HydrophobicContact CZ-CB 3.84Å; F2-Y123 HydrophobicContact CD1-CD1 4.49Å; F2-Y123 AromaticContact CD1-CE1 3.86Å; F2-Y123 HydrophobicContact CD1-CE1 3.86Å; F2-Y123 AromaticContact CD2-CD1 3.87Å; F2-Y123 HydrophobicContact CD2-CD1 3.87Å; F2-Y123 AromaticContact CD2-CE1 3.91Å; F2-Y123 HydrophobicContact CD2-CE1 3.91Å; F2-Y123 HydrophobicContact CE1-CD1 4.11Å; F2-Y123 AromaticContact CE1-CE1 3.72Å; F2-Y123 HydrophobicContact CE1-CE1 3.72Å; F2-Y123 AromaticContact CE2-CD1 3.43Å; F2-Y123 HydrophobicContact CE2-CD1 3.43Å; F2-Y123 VanDerWaalsContact CE2-CD1 3.43Å; F2-Y123 AromaticContact CE2-CE1 3.79Å; F2-Y123 HydrophobicContact CE2-CE1 3.79Å; F2-Y123 HydrophobicContact CG-CD1 4.38Å; F2-Y123 AromaticContact CG-CE1 3.94Å; F2-Y123 HydrophobicContact CG-CE1 3.94Å; F2-Y123 AromaticContact CZ-CD1 3.55Å; F2-Y123 HydrophobicContact CZ-CD1 3.55Å; F2-Y123 AromaticContact CZ-CE1 3.67Å; F2-Y123 HydrophobicContact CZ-CE1 3.67Å; F2-I125 HydrophobicContact CD1-CD1 3.99Å; F2-I125 HydrophobicContact CE1-CD1 3.81Å; F2-I125 HydrophobicContact CE1-CG1 4.33Å; F2-A194 HydrophobicContact CD1-CB 3.89Å
3E95.4Very high94.3Very high132 Ų13252.7 Ų52.762%0.61725%0.248SC*.  trans-108.5127.5179.9-74.2175.2-172.300109.4M1M1-E3 PolarHBondContact O-N 3.36Å
4I98.4Very high93.9Very high13 Ų1353.2 Ų53.27%0.06725%0.247CC..  trans-81.4119.4176.9-64.2166.9000107.8F2 I7 D83 L84 I125 A194 V198F2-I4 HydrophobicContact CD1-CG1 4.29Å; F2-I4 HydrophobicContact CE1-CG1 3.88Å; I4-I7 HydrophobicContact CG2-CD1 4.15Å; I4-I7 HydrophobicContact CG2-CG1 3.64Å; I4-D83 HydrophobicContact CG2-CB 4.32Å; I4-L84 HydrophobicContact CD1-CB 4.12Å; I4-L84 HydrophobicContact CD1-CD1 4.5Å; I4-L84 HydrophobicContact CD1-CD2 4.18Å; I4-L84 HydrophobicContact CD1-CG 4.5Å; I4-L84 HydrophobicContact CG1-CB 4.4Å; I4-L84 HydrophobicContact CG2-CB 3.82Å; I4-I125 HydrophobicContact CD1-CD1 4.21Å; I4-A194 HydrophobicContact CD1-CB 3.96Å; I4-A194 HydrophobicContact CG1-CB 4.23Å; I4-V198 HydrophobicContact CB-CG2 4.09Å; I4-V198 HydrophobicContact CD1-CG2 3.88Å; I4-V198 HydrophobicContact CG2-CG2 4.34Å
5K98.3Very high93.7Very high124 Ų12451.9 Ų51.954%0.53924%0.244SC..  trans-113.7-24177.6-62.6-173178.5-1750112.4I30 T31 D83K5-I30 WeakPolarHBondContact O-CA 3.27Å; K5-T31 PolarHBondContact O-N 3.22Å; K5-D83 WeakPolarHBondContact CA-OD2 3.41Å; K5-D83 PolarHBondContact N-OD2 2.89Å
6R98.6Very high93.8Very high117 Ų11748.7 Ų48.744%0.44223%0.229SC..EExtended strand (participates in β ladder)trans-129.3123.5179.5-67.9175-68-166.97.7111T31 D81 D83 L84R6-T31 CarbonylContact C-O 3.51Å; R6-T31 WeakPolarHBondContact CA-O 3.29Å; R6-D81 WeakPolarHBondContact CD-O 3.33Å; R6-D81 PolarHBondContact NE-O 3.33Å; R6-D81 PolarHBondContact NH2-O 2.97Å; R6-D83 PolarHBondContact N-OD2 2.82Å; R6-D83 PolarHBondContact O-N 2.7Å; R6-L84 PolarHBondContact O-N 3.35Å
7I98.8Very high93.9Very high2 Ų245.8 Ų45.81%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-113.4127.9177-61.3179.5000108.6I4 I23 I30 T31 V32 T33 L84 F86 V198I4-I7 HydrophobicContact CG2-CD1 4.15Å; I4-I7 HydrophobicContact CG2-CG1 3.64Å; I7-I23 HydrophobicContact CD1-CG2 3.83Å; I7-I30 HydrophobicContact CB-CG2 4.44Å; I7-I30 HydrophobicContact CD1-CG2 3.68Å; I7-I30 HydrophobicContact CG1-CG2 3.71Å; I7-T31 PolarHBondContact N-O 3.4Å; I7-V32 HydrophobicContact CB-CG1 4.37Å; I7-V32 HydrophobicContact CB-CG2 4.38Å; I7-V32 HydrophobicContact CG2-CG1 4.34Å; I7-V32 WeakPolarHBondContact O-CA 3.32Å; I7-T33 PolarHBondContact O-N 3.14Å; I7-L84 CarbonylContact C-O 3.49Å; I7-L84 WeakPolarHBondContact CA-O 3.42Å; I7-L84 HydrophobicContact CD1-CD2 4.02Å; I7-L84 HydrophobicContact CG1-CB 4.23Å; I7-L84 HydrophobicContact CG1-CD2 4.03Å; I7-L84 HydrophobicContact CG2-CD2 4.31Å; I7-F86 HydrophobicContact CG2-CD2 3.63Å; I7-F86 HydrophobicContact CG2-CE2 3.81Å; I7-V198 HydrophobicContact CD1-CG1 4.37Å
8C98.7Very high94.1Very high0 Ų043.3 Ų43.30%020%0.204CC..EExtended strand (participates in β ladder)trans-105.6138.2165.3173.60000108.9T33 A78 A82 L84 V85 F86C8-T33 CarbonylContact C-O 3.5Å; C8-T33 VanDerWaalsContact CA-O 3.31Å; C8-T33 WeakPolarHBondContact CA-O 3.45Å; C8-A78 HydrophobicContact CB-CB 4.39Å; C8-A78 WeakPolarHBondContact CB-O 3.31Å; C8-A82 HydrophobicContact CB-CB 3.55Å; C8-L84 PolarHBondContact N-O 3.3Å; C8-V85 HydrophobicContact CB-CG1 4.49Å; C8-V85 HydrophobicContact CB-CG2 4.36Å; C8-V85 CarbonylContact O-C 3.59Å; C8-V85 VanDerWaalsContact O-CA 3.29Å; C8-V85 WeakPolarHBondContact O-CA 3.36Å; C8-F86 PolarHBondContact O-N 3.45Å
9C98.6Very high94.3Very high1 Ų141.2 Ų41.21%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-124.3115.3171.1178.30000110.6G11 C20 T33 V35 F86 S88C9-G11 PolarHBondContact O-N 3.48Å; C9-C20 WeakPolarHBondContact CB-SG 3.5Å; C9-T33 PolarHBondContact N-O 2.78Å; C9-V35 PolarHBondContact O-N 3.38Å; C9-F86 HydrophobicContact CB-CB 4Å; C9-S88 PolarHBondContact SG-OG 2.86Å
10I98.1Very high94.5Very high7 Ų739.2 Ų39.24%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-84.9109.3175.8-50173.8000108.7V35 I79 V85 F86 S88 V89 C112 I116I10-V35 HydrophobicContact CB-CG2 4.39Å; I10-V35 HydrophobicContact CG1-CG2 4.08Å; I10-I79 HydrophobicContact CD1-CD1 3.79Å; I10-I79 HydrophobicContact CD1-CG1 4.1Å; I10-V85 HydrophobicContact CD1-CG1 3.91Å; I10-V85 HydrophobicContact CG1-CG1 4.11Å; I10-F86 PolarHBondContact N-O 3.41Å; I10-S88 CarbonylContact O-C 3.53Å; I10-S88 WeakPolarHBondContact O-CA 3.25Å; I10-S88 PolarHBondContact O-N 2.85Å; I10-V89 HydrophobicContact CG2-CG1 4.19Å; I10-C112 HydrophobicContact CD1-CB 4.29Å; I10-I116 HydrophobicContact CD1-CD1 3.97Å; I10-I116 HydrophobicContact CD1-CG1 4.03Å
11G95.8Very high94.6Very high6 Ų637.3 Ų37.36%0.06218%0.176CC..  trans117.4109.9-178.400000111.9C9 G13 G16 V35C9-G11 PolarHBondContact O-N 3.48Å; G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 3.02Å; G11-G16 WeakPolarHBondContact O-CA 3.29Å; G11-V35 PolarHBondContact N-O 2.99Å
12A95.8Very high96.1Very high1 Ų127.9 Ų27.91%0.00813%0.13CC..  trans-97.933.4-179.300000112.4V34 D36 R41 I42 W45A12-V34 HydrophobicContact CB-CG1 3.7Å; A12-D36 HydrophobicContact CB-CB 3.69Å; A12-D36 PolarHBondContact N-OD2 2.93Å; A12-R41 HydrophobicContact CB-CG 4.49Å; A12-R41 WeakPolarHBondContact O-CD 3.44Å; A12-I42 HydrophobicContact CB-CD1 3.89Å; A12-W45 PolarHBondContact O-NE1 3.08Å
13G91.3Very high96.4Very high15 Ų1524.7 Ų24.716%0.15512%0.115CC..SBendtrans-84.1-161.7179.500000113.9G11 V15 G17G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 3.02Å; G13-V15 PolarHBondContact O-N 2.94Å; G13-G17 PolarHBondContact O-N 3.25Å; G13-G17 VanDerWaalsContact O-N 3.11Å
14Y87.8Confident96.6Very high60 Ų6018.4 Ų18.424%0.2359%0.086CC..THydrogen-bonded Turntrans-60.2-23.5179.2-82.2-86.1000114.8P18 I52 E165Y14-P18 VanDerWaalsContact O-CD 3.28Å; Y14-P18 WeakPolarHBondContact O-CD 3.41Å; Y14-P18 VanDerWaalsContact O-CG 3.29Å; Y14-P18 WeakPolarHBondContact O-CG 3.5Å; Y14-I52 HydrophobicContact CD1-CB 4.21Å; Y14-I52 HydrophobicContact CD1-CD1 4Å; Y14-I52 HydrophobicContact CD1-CG2 4.07Å; Y14-I52 HydrophobicContact CD2-CG2 3.96Å; Y14-I52 HydrophobicContact CE1-CB 3.73Å; Y14-I52 HydrophobicContact CE1-CD1 4.35Å; Y14-I52 HydrophobicContact CE1-CG2 3.74Å; Y14-I52 HydrophobicContact CE2-CB 4.5Å; Y14-I52 HydrophobicContact CE2-CG2 3.63Å; Y14-I52 HydrophobicContact CG-CD1 4.43Å; Y14-I52 HydrophobicContact CG-CG2 4.17Å; Y14-E165 HydrophobicContact CD1-CG 4.21Å
15V91.7Very high96.6Very high33 Ų3320.4 Ų20.420%0.210%0.095CC..THydrogen-bonded Turntrans-92.2-60.1176.9174.40000110.8G13 G17 T19 K129 E161G13-V15 PolarHBondContact O-N 2.94Å; V15-G17 PolarHBondContact O-N 3.5Å; V15-T19 VanDerWaalsContact O-CB 3.25Å; V15-T19 WeakPolarHBondContact O-CB 3.33Å; V15-T19 PolarHBondContact O-N 3.08Å; V15-T19 VanDerWaalsContact O-N 3.14Å; V15-T19 PolarHBondContact O-OG1 2.68Å; V15-K129 HydrophobicContact CG1-CG 3.74Å; V15-E161 HydrophobicContact CG1-CB 3.94Å; V15-E161 HydrophobicContact CG1-CG 4.02Å; V15-E161 HydrophobicContact CG2-CG 4.4Å
16G95Very high96.6Very high1 Ų117.2 Ų17.21%0.018%0.083CC..Hα-helixtrans-63.9-41.9-171.900000113.7G11 C20G11-G16 WeakPolarHBondContact O-CA 3.29Å; G16-C20 WeakPolarHBondContact O-CB 3.46Å; G16-C20 PolarHBondContact O-N 3.28Å; G16-C20 PolarHBondContact O-SG 3.14Å
17G96.1Very high96.5Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-61.8-62.1-179.200000112.9G13 V15 T19 C20 S21G13-G17 PolarHBondContact O-N 3.25Å; G13-G17 VanDerWaalsContact O-N 3.11Å; V15-G17 PolarHBondContact O-N 3.5Å; G17-T19 PolarHBondContact O-N 2.98Å; G17-C20 PolarHBondContact O-N 3.46Å; G17-S21 WeakPolarHBondContact O-CB 3.39Å; G17-S21 PolarHBondContact O-N 2.94Å; G17-S21 PolarHBondContact O-OG 3.05Å
18P96.4Very high96.4Very high0 Ų015.9 Ų15.90%09%0.089CC..Hα-helixtrans-57.8-45.6178-29.539000113.7Y14 C20 S21 V22 I52 L57 L172Y14-P18 VanDerWaalsContact O-CD 3.28Å; Y14-P18 WeakPolarHBondContact O-CD 3.41Å; Y14-P18 VanDerWaalsContact O-CG 3.29Å; Y14-P18 WeakPolarHBondContact O-CG 3.5Å; P18-C20 PolarHBondContact O-N 3.39Å; P18-S21 PolarHBondContact O-N 3.21Å; P18-V22 WeakPolarHBondContact O-CG2 3.36Å; P18-V22 PolarHBondContact O-N 3.09Å; P18-I52 HydrophobicContact CG-CD1 3.67Å; P18-L57 HydrophobicContact CB-CD1 4.13Å; P18-L57 HydrophobicContact CG-CD1 4.2Å; P18-L57 HydrophobicContact CG-CD2 4.17Å; P18-L172 HydrophobicContact CB-CD1 3.72Å
19T97.4Very high96.4Very high4 Ų421 Ų213%0.02511%0.114CC..Hα-helixtrans-57.5-51179.9-56.40000111V15 G17 S21 V22 I23 K129 L172V15-T19 VanDerWaalsContact O-CB 3.25Å; V15-T19 WeakPolarHBondContact O-CB 3.33Å; V15-T19 PolarHBondContact O-N 3.08Å; V15-T19 VanDerWaalsContact O-N 3.14Å; V15-T19 PolarHBondContact O-OG1 2.68Å; G17-T19 PolarHBondContact O-N 2.98Å; T19-S21 VanDerWaalsContact C-N 3.32Å; T19-S21 PolarHBondContact O-N 3.26Å; T19-V22 PolarHBondContact O-N 3.35Å; T19-I23 HydrophobicContact CG2-CD1 3.9Å; T19-I23 WeakPolarHBondContact O-CG1 3.47Å; T19-I23 PolarHBondContact O-N 2.88Å; T19-K129 HydrophobicContact CG2-CD 4.28Å; T19-L172 HydrophobicContact CG2-CD2 4.37Å
20C98.3Very high96.4Very high0 Ų021.2 Ų21.20%012%0.115CC..Hα-helixtrans-67.5-33.2-179-71.50000112.9C9 G16 G17 P18 I23 A24 V32 V34C9-C20 WeakPolarHBondContact CB-SG 3.5Å; G16-C20 WeakPolarHBondContact O-CB 3.46Å; G16-C20 PolarHBondContact O-N 3.28Å; G16-C20 PolarHBondContact O-SG 3.14Å; G17-C20 PolarHBondContact O-N 3.46Å; P18-C20 PolarHBondContact O-N 3.39Å; C20-I23 PolarHBondContact O-N 3.27Å; C20-A24 WeakPolarHBondContact O-CB 3.33Å; C20-A24 PolarHBondContact O-N 3.45Å; C20-V32 HydrophobicContact CB-CG1 3.54Å; C20-V34 HydrophobicContact CB-CG2 3.38Å
21S98.3Very high96.4Very high0 Ų023.6 Ų23.60%013%0.129CC..Hα-helixtrans-66.1-40.9176.4-55.40000111.3G17 P18 T19 Q25 V60G17-S21 WeakPolarHBondContact O-CB 3.39Å; G17-S21 PolarHBondContact O-N 2.94Å; G17-S21 PolarHBondContact O-OG 3.05Å; P18-S21 PolarHBondContact O-N 3.21Å; T19-S21 VanDerWaalsContact C-N 3.32Å; T19-S21 PolarHBondContact O-N 3.26Å; S21-Q25 WeakPolarHBondContact O-CB 3.27Å; S21-Q25 PolarHBondContact O-N 3.19Å; S21-V60 WeakPolarHBondContact O-CG1 3.46Å
22V98.1Very high96.5Very high1 Ų123.3 Ų23.31%0.00613%0.126CC..Hα-helixtrans-69.9-41.8175.3174.80000111.5P18 T19 A24 Q25 M26 V60 L172 K173P18-V22 WeakPolarHBondContact O-CG2 3.36Å; P18-V22 PolarHBondContact O-N 3.09Å; T19-V22 PolarHBondContact O-N 3.35Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 3.17Å; V22-Q25 PolarHBondContact O-N 3.35Å; V22-Q25 VanDerWaalsContact O-N 3.15Å; V22-M26 HydrophobicContact CG1-CG 4.1Å; V22-M26 WeakPolarHBondContact O-CG 3.45Å; V22-M26 PolarHBondContact O-N 3.29Å; V22-V60 HydrophobicContact CG2-CG1 4.38Å; V22-L172 HydrophobicContact CB-CB 4.22Å; V22-L172 HydrophobicContact CG1-CB 4.15Å; V22-L172 HydrophobicContact CG2-CB 3.9Å; V22-L172 HydrophobicContact CG2-CD1 3.96Å; V22-K173 HydrophobicContact CG1-CG 4.21Å
23I98.5Very high96.7Very high1 Ų124.6 Ų24.61%0.00513%0.134CC..Hα-helixtrans-57.3-48.2174.1-68166.5000110.3I7 T19 C20 Q25 M26 C27 V32 F86 V198 W202I7-I23 HydrophobicContact CD1-CG2 3.83Å; T19-I23 HydrophobicContact CG2-CD1 3.9Å; T19-I23 WeakPolarHBondContact O-CG1 3.47Å; T19-I23 PolarHBondContact O-N 2.88Å; C20-I23 PolarHBondContact O-N 3.27Å; I23-Q25 VanDerWaalsContact C-N 3.27Å; I23-Q25 PolarHBondContact O-N 3.48Å; I23-M26 PolarHBondContact O-N 3.26Å; I23-C27 WeakPolarHBondContact O-CB 3.46Å; I23-C27 PolarHBondContact O-N 3.03Å; I23-V32 HydrophobicContact CG2-CG2 3.99Å; I23-F86 HydrophobicContact CD1-CE2 3.88Å; I23-F86 HydrophobicContact CD1-CZ 4.31Å; I23-V198 HydrophobicContact CG2-CG1 4.1Å; I23-W202 HydrophobicContact CG1-CH2 3.86Å
24A98.4Very high97Very high1 Ų123.9 Ų23.91%0.00813%0.127CC..Hα-helixtrans-62.7-34178.600000112.7C20 V22 V32 C64 N68 L69C20-A24 WeakPolarHBondContact O-CB 3.33Å; C20-A24 PolarHBondContact O-N 3.45Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 3.17Å; A24-V32 HydrophobicContact CB-CB 4.17Å; A24-V32 HydrophobicContact CB-CG2 3.94Å; A24-C64 HydrophobicContact CB-CB 4.15Å; A24-N68 PolarHBondContact O-ND2 3.39Å; A24-L69 HydrophobicContact CB-CB 3.75Å; A24-L69 HydrophobicContact CB-CD1 4.16Å; A24-L69 HydrophobicContact CB-CG 4.41Å
25Q98.2Very high97.5Very high54 Ų5421 Ų2125%0.25212%0.116SC..Hα-helixtrans-70.1-39.4175.8-179.4171.18000112.9S21 V22 I23 V60 S63 C64S21-Q25 WeakPolarHBondContact O-CB 3.27Å; S21-Q25 PolarHBondContact O-N 3.19Å; V22-Q25 PolarHBondContact O-N 3.35Å; V22-Q25 VanDerWaalsContact O-N 3.15Å; I23-Q25 VanDerWaalsContact C-N 3.27Å; I23-Q25 PolarHBondContact O-N 3.48Å; Q25-V60 HydrophobicContact CB-CG1 4.12Å; Q25-S63 PolarHBondContact NE2-OG 3.38Å; Q25-C64 WeakPolarHBondContact CA-SG 3.43Å
26M97.9Very high97.8Very high58 Ų5820.2 Ų20.229%0.28611%0.11SC..Hα-helixtrans-86.6-21-175.7-62.7-60.2-148.400113.4V22 I23 K173 W202V22-M26 HydrophobicContact CG1-CG 4.1Å; V22-M26 WeakPolarHBondContact O-CG 3.45Å; V22-M26 PolarHBondContact O-N 3.29Å; I23-M26 PolarHBondContact O-N 3.26Å; M26-K173 HydrophobicContact CE-CB 4.37Å; M26-K173 HydrophobicContact CE-CD 4.36Å; M26-K173 HydrophobicContact CE-CG 3.98Å; M26-W202 HydrophobicContact CB-CB 4.24Å; M26-W202 HydrophobicContact CB-CD2 3.71Å; M26-W202 HydrophobicContact CB-CE3 3.29Å; M26-W202 HydrophobicContact CB-CG 4.13Å; M26-W202 HydrophobicContact CB-CZ3 3.91Å; M26-W202 HydrophobicContact CE-CB 3.71Å; M26-W202 HydrophobicContact CE-CG 3.82Å; M26-W202 HydrophobicContact CG-CB 3.98Å; M26-W202 HydrophobicContact CG-CD2 3.67Å; M26-W202 HydrophobicContact CG-CE3 3.82Å; M26-W202 HydrophobicContact CG-CG 3.75Å; M26-W202 HydrophobicContact SD-CB 3.93Å; M26-W202 HydrophobicContact SD-CG 4.25Å
27C97.5Very high97.8Very high0 Ų026 Ų260%015%0.145CC..  trans-125.375.4-179.7-56.10000110.8I23 E29 I30 N68I23-C27 WeakPolarHBondContact O-CB 3.46Å; I23-C27 PolarHBondContact O-N 3.03Å; C27-E29 WeakPolarHBondContact CA-OE1 3.12Å; C27-E29 WeakPolarHBondContact CB-OE1 3.43Å; C27-E29 PolarHBondContact O-N 3.46Å; C27-E29 VanDerWaalsContact O-N 3.13Å; C27-I30 HydrophobicContact CB-CB 3.99Å; C27-I30 HydrophobicContact CB-CD1 3.7Å; C27-I30 HydrophobicContact CB-CG1 3.83Å; C27-I30 PolarHBondContact O-N 3.38Å; C27-N68 PolarHBondContact O-ND2 3.45Å
28P96.9Very high97.8Very high90 Ų9029.1 Ų29.158%0.58416%0.162SC*.THydrogen-bonded Turntrans-57.6-26.2-177.9-25.935.9000114.6N68P28-N68 WeakPolarHBondContact CA-ND2 3.4Å
29E97.4Very high97.8Very high109 Ų10934.1 Ų34.151%0.50919%0.185SC..THydrogen-bonded Turntrans-77.6-16177.768.2-66.6151.100114.2C27 H201C27-E29 WeakPolarHBondContact CA-OE1 3.12Å; C27-E29 WeakPolarHBondContact CB-OE1 3.43Å; C27-E29 PolarHBondContact O-N 3.46Å; C27-E29 VanDerWaalsContact O-N 3.13Å; E29-H201 IonicContact OE1-CD2 2.93Å; E29-H201 PolarHBondContact OE1-CD2 3.25Å; E29-H201 IonicContact OE1-CE1 2.81Å; E29-H201 IonicContact OE1-NE2 3.29Å; E29-H201 PolarHBondContact OE1-NE2 2.72Å; E29-H201 VanDerWaalsContact OE1-NE2 3.12Å
30I98.4Very high97.7Very high5 Ų539.1 Ų39.13%0.02622%0.216CC..SBendtrans-93.6127.3177.6-59.6-178000109.3K5 I7 C27 V32 N68 V198K5-I30 WeakPolarHBondContact O-CA 3.27Å; I7-I30 HydrophobicContact CB-CG2 4.44Å; I7-I30 HydrophobicContact CD1-CG2 3.68Å; I7-I30 HydrophobicContact CG1-CG2 3.71Å; C27-I30 HydrophobicContact CB-CB 3.99Å; C27-I30 HydrophobicContact CB-CD1 3.7Å; C27-I30 HydrophobicContact CB-CG1 3.83Å; C27-I30 PolarHBondContact O-N 3.38Å; I30-V32 HydrophobicContact CG2-CG2 4.04Å; I30-N68 PolarHBondContact O-ND2 3.18Å; I30-N68 VanDerWaalsContact O-ND2 3.07Å; I30-V198 HydrophobicContact CD1-CG1 4.13Å; I30-V198 HydrophobicContact CD1-CG2 4.01Å
31T98.7Very high97.6Very high56 Ų5643.1 Ų43.134%0.34423%0.231SC..EExtended strand (participates in β ladder)trans-83.8122.5170.3-60.40000109.6K5 R6 I7 F70K5-T31 PolarHBondContact O-N 3.22Å; R6-T31 CarbonylContact C-O 3.51Å; R6-T31 WeakPolarHBondContact CA-O 3.29Å; I7-T31 PolarHBondContact N-O 3.4Å; T31-F70 HydrophobicContact CG2-CD2 4Å; T31-F70 HydrophobicContact CG2-CE2 3.89Å
32V98.8Very high97.5Very high0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-116.9118.7-177.8-171.80000109.9I7 C20 I23 A24 I30 N68 L69 F70I7-V32 HydrophobicContact CB-CG1 4.37Å; I7-V32 HydrophobicContact CB-CG2 4.38Å; I7-V32 HydrophobicContact CG2-CG1 4.34Å; I7-V32 WeakPolarHBondContact O-CA 3.32Å; C20-V32 HydrophobicContact CB-CG1 3.54Å; I23-V32 HydrophobicContact CG2-CG2 3.99Å; A24-V32 HydrophobicContact CB-CB 4.17Å; A24-V32 HydrophobicContact CB-CG2 3.94Å; I30-V32 HydrophobicContact CG2-CG2 4.04Å; V32-N68 PolarHBondContact N-O 3.44Å; V32-L69 HydrophobicContact CB-CD1 4.29Å; V32-L69 HydrophobicContact CG1-CD1 4.26Å; V32-L69 CarbonylContact O-C 3.42Å; V32-L69 WeakPolarHBondContact O-CA 3.35Å; V32-F70 PolarHBondContact O-N 2.86Å
33T98.8Very high97.5Very high29 Ų2949.6 Ų49.618%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-116.6113.9178.8-55.10000109.9I7 C8 C9 V35 F70 A78I7-T33 PolarHBondContact O-N 3.14Å; C8-T33 CarbonylContact C-O 3.5Å; C8-T33 VanDerWaalsContact CA-O 3.31Å; C8-T33 WeakPolarHBondContact CA-O 3.45Å; C9-T33 PolarHBondContact N-O 2.78Å; T33-V35 HydrophobicContact CG2-CG1 3.96Å; T33-F70 CarbonylContact C-O 3.56Å; T33-F70 WeakPolarHBondContact CA-O 3.34Å; T33-F70 HydrophobicContact CG2-CB 4.34Å; T33-A78 HydrophobicContact CG2-CB 3.99Å
34V98.8Very high97.4Very high0 Ų050.7 Ų50.70%027%0.268CS..EExtended strand (participates in β ladder)trans-93.3127.8174.6-171.50000108.9A12 C20 L69 F70 F71 S72A12-V34 HydrophobicContact CB-CG1 3.7Å; C20-V34 HydrophobicContact CB-CG2 3.38Å; V34-L69 HydrophobicContact CG2-CD1 4.22Å; V34-F70 PolarHBondContact N-O 3.4Å; V34-F71 HydrophobicContact CB-CD1 3.65Å; V34-F71 HydrophobicContact CB-CE1 3.81Å; V34-F71 HydrophobicContact CG1-CD1 4.12Å; V34-F71 HydrophobicContact CG1-CE1 4.16Å; V34-F71 HydrophobicContact CG2-CD1 4.22Å; V34-F71 HydrophobicContact CG2-CE1 3.91Å; V34-F71 VanDerWaalsContact O-CA 3.32Å; V34-F71 WeakPolarHBondContact O-CA 3.3Å; V34-S72 PolarHBondContact O-N 3.41Å
35V98.6Very high97.4Very high0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-124.2144.9-178.1-600000112.4C9 I10 G11 T33 S72 I75 A78C9-V35 PolarHBondContact O-N 3.38Å; I10-V35 HydrophobicContact CB-CG2 4.39Å; I10-V35 HydrophobicContact CG1-CG2 4.08Å; G11-V35 PolarHBondContact N-O 2.99Å; T33-V35 HydrophobicContact CG2-CG1 3.96Å; V35-S72 VanDerWaalsContact CA-O 3.23Å; V35-S72 WeakPolarHBondContact CA-O 3.47Å; V35-I75 HydrophobicContact CB-CG1 3.79Å; V35-I75 HydrophobicContact CG2-CB 4.23Å; V35-I75 HydrophobicContact CG2-CG1 3.76Å; V35-I75 HydrophobicContact CG2-CG2 4.15Å; V35-A78 HydrophobicContact CG1-CB 3.61Å
36D97.7Very high97.4Very high15 Ų1551.7 Ų51.78%0.0828%0.275CS..  trans-150.9147.9177.5-159.9-55.1000109.3A12 N38 R41 I42 S72A12-D36 HydrophobicContact CB-CB 3.69Å; A12-D36 PolarHBondContact N-OD2 2.93Å; D36-N38 PolarHBondContact O-N 2.87Å; D36-N38 WeakPolarHBondContact OD1-CB 3.46Å; D36-N38 PolarHBondContact OD1-N 3.43Å; D36-R41 IonicContact OD2-CZ 3.55Å; D36-R41 IonicContact OD2-NH1 3.65Å; D36-R41 PolarHBondContact OD2-NH1 3.36Å; D36-I42 HydrophobicContact CB-CD1 3.82Å; D36-I42 HydrophobicContact CB-CG1 3.96Å; D36-S72 PolarHBondContact N-O 2.82Å
37V95.3Very high97.3Very high122 Ų12250.9 Ų50.974%0.73928%0.275SS*.SBendtrans-70.5-21.1174.8-63.80000111.8E39 I75V37-E39 PolarHBondContact O-N 2.85Å; V37-I75 HydrophobicContact CG1-CD1 3.57Å
38N95.7Very high97.1Very high66 Ų6656.2 Ų56.235%0.35330%0.304SS..  trans-81.896.9179.2-172.3-35.9000110.9D36 T40 R41 I42D36-N38 PolarHBondContact O-N 2.87Å; D36-N38 WeakPolarHBondContact OD1-CB 3.46Å; D36-N38 PolarHBondContact OD1-N 3.43Å; N38-T40 VanDerWaalsContact C-N 3.28Å; N38-T40 PolarHBondContact O-N 3.12Å; N38-T40 WeakPolarHBondContact OD1-CB 3.44Å; N38-T40 PolarHBondContact OD1-N 3.02Å; N38-T40 VanDerWaalsContact OD1-N 3.14Å; N38-R41 HydrophobicContact CB-CB 3.92Å; N38-R41 WeakPolarHBondContact O-CB 3.39Å; N38-R41 PolarHBondContact O-N 3.26Å; N38-R41 PolarHBondContact OD1-N 3.19Å; N38-I42 PolarHBondContact O-N 2.85Å; N38-I42 VanDerWaalsContact O-N 3.1Å
39E96.6Very high96.9Very high106 Ų10657.2 Ų57.250%0.49531%0.309SS..Hα-helixtrans-58.2-38.7179.2-56.8-166.2172.400113.3V37 R41 I42 K43 T73V37-E39 PolarHBondContact O-N 2.85Å; E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 2.94Å; E39-I42 PolarHBondContact O-N 2.93Å; E39-K43 WeakPolarHBondContact O-CB 3.39Å; E39-K43 VanDerWaalsContact O-CG 3.29Å; E39-K43 WeakPolarHBondContact O-CG 3.18Å; E39-K43 PolarHBondContact O-N 3.43Å; E39-K43 IonicContact OE2-NZ 3.93Å; E39-K43 PolarHBondContact OE2-NZ 2.94Å; E39-T73 HydrophobicContact CB-CG2 4.31Å; E39-T73 HydrophobicContact CG-CG2 4.01Å
40T95.4Very high96.7Very high108 Ų10853.3 Ų53.366%0.66329%0.291SS*.Hα-helixtrans-62.5-41.1-180-55.30000110.7N38 K43 A44N38-T40 VanDerWaalsContact C-N 3.28Å; N38-T40 PolarHBondContact O-N 3.12Å; N38-T40 WeakPolarHBondContact OD1-CB 3.44Å; N38-T40 PolarHBondContact OD1-N 3.02Å; N38-T40 VanDerWaalsContact OD1-N 3.14Å; T40-K43 PolarHBondContact O-N 3.23Å; T40-A44 PolarHBondContact O-N 3.03Å
41R94.7Very high96.3Very high84 Ų8455.5 Ų55.532%0.31731%0.306SS..Hα-helixtrans-65.3-44175.7-176.7-177.2-71.8173.6-7111.7A12 D36 N38 E39 A44 W45 P51A12-R41 HydrophobicContact CB-CG 4.49Å; A12-R41 WeakPolarHBondContact O-CD 3.44Å; D36-R41 IonicContact OD2-CZ 3.55Å; D36-R41 IonicContact OD2-NH1 3.65Å; D36-R41 PolarHBondContact OD2-NH1 3.36Å; N38-R41 HydrophobicContact CB-CB 3.92Å; N38-R41 WeakPolarHBondContact O-CB 3.39Å; N38-R41 PolarHBondContact O-N 3.26Å; N38-R41 PolarHBondContact OD1-N 3.19Å; E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 2.94Å; R41-A44 WeakPolarHBondContact O-CB 3.29Å; R41-A44 PolarHBondContact O-N 3.38Å; R41-W45 PolarHBondContact O-N 2.93Å; R41-P51 HydrophobicContact CG-CB 4.32Å; R41-P51 HydrophobicContact CG-CG 4.21Å
42I98.1Very high95.7Very high7 Ų753.7 Ų53.74%0.03629%0.294CS..Hα-helixtrans-64.4-41176.7-67.2-63.2000111.5A12 D36 N38 E39 A44 W45 N46 F71 T73A12-I42 HydrophobicContact CB-CD1 3.89Å; D36-I42 HydrophobicContact CB-CD1 3.82Å; D36-I42 HydrophobicContact CB-CG1 3.96Å; N38-I42 PolarHBondContact O-N 2.85Å; N38-I42 VanDerWaalsContact O-N 3.1Å; E39-I42 PolarHBondContact O-N 2.93Å; I42-A44 VanDerWaalsContact C-N 3.31Å; I42-A44 PolarHBondContact O-N 2.81Å; I42-W45 PolarHBondContact O-N 2.81Å; I42-N46 PolarHBondContact O-N 3.41Å; I42-N46 PolarHBondContact O-ND2 3.12Å; I42-F71 HydrophobicContact CD1-CB 4.26Å; I42-F71 HydrophobicContact CG2-CB 4.21Å; I42-T73 HydrophobicContact CB-CG2 4.06Å; I42-T73 HydrophobicContact CG1-CG2 4.02Å; I42-T73 HydrophobicContact CG2-CG2 4.14Å
43K97.6Very high95Very high131 Ų13159.6 Ų59.657%0.5732%0.317SS*.Hα-helixtrans-59.2-42.3173.5-74.8168.8-175.7161.80111.4E39 T40 N46 S47E39-K43 WeakPolarHBondContact O-CB 3.39Å; E39-K43 VanDerWaalsContact O-CG 3.29Å; E39-K43 WeakPolarHBondContact O-CG 3.18Å; E39-K43 PolarHBondContact O-N 3.43Å; E39-K43 IonicContact OE2-NZ 3.93Å; E39-K43 PolarHBondContact OE2-NZ 2.94Å; T40-K43 PolarHBondContact O-N 3.23Å; K43-N46 CarbonylContact O-C 3.52Å; K43-N46 PolarHBondContact O-N 2.94Å; K43-S47 PolarHBondContact O-N 2.8Å; K43-S47 VanDerWaalsContact O-N 3.15Å
44A96.4Very high94.5Very high23 Ų2358.7 Ų58.719%0.1931%0.31CS..Hα-helixtrans-63.4-43.7175.700000112.3T40 R41 I42 N46 S47 P51T40-A44 PolarHBondContact O-N 3.03Å; R41-A44 WeakPolarHBondContact O-CB 3.29Å; R41-A44 PolarHBondContact O-N 3.38Å; I42-A44 VanDerWaalsContact C-N 3.31Å; I42-A44 PolarHBondContact O-N 2.81Å; A44-N46 PolarHBondContact O-N 3.5Å; A44-S47 WeakPolarHBondContact O-CB 3.44Å; A44-S47 PolarHBondContact O-N 3.34Å; A44-S47 PolarHBondContact O-OG 2.76Å; A44-P51 HydrophobicContact CB-CB 3.79Å; A44-P51 HydrophobicContact CB-CG 4.08Å
45W98.1Very high94Very high0 Ų061.5 Ų61.50%033%0.329CS..Hα-helixtrans-61-28174.2-80.6114.9000113.6A12 R41 I42 L50 P51 I52 L57 V61 R65 F71A12-W45 PolarHBondContact O-NE1 3.08Å; R41-W45 PolarHBondContact O-N 2.93Å; I42-W45 PolarHBondContact O-N 2.81Å; W45-L50 HydrophobicContact CE3-CD2 3.89Å; W45-L50 HydrophobicContact CZ3-CD1 4.15Å; W45-L50 HydrophobicContact CZ3-CD2 4.3Å; W45-P51 HydrophobicContact CD2-CG 3.8Å; W45-P51 VanDerWaalsContact CE2-CG 3.5Å; W45-P51 HydrophobicContact CG-CG 3.82Å; W45-P51 HydrophobicContact CZ2-CG 4.12Å; W45-P51 VanDerWaalsContact NE1-CG 3.33Å; W45-I52 HydrophobicContact CH2-CD1 3.75Å; W45-I52 HydrophobicContact CH2-CG1 3.85Å; W45-I52 HydrophobicContact CZ2-CD1 3.85Å; W45-I52 HydrophobicContact CZ2-CG1 3.97Å; W45-L57 HydrophobicContact CH2-CD2 3.99Å; W45-L57 HydrophobicContact CZ3-CD2 4.25Å; W45-V61 HydrophobicContact CE3-CG2 4.39Å; W45-V61 HydrophobicContact CZ3-CG2 3.89Å; W45-R65 WeakPolarHBondContact O-CD 3.14Å; W45-R65 PolarHBondContact O-NH1 2.94Å; W45-F71 HydrophobicContact CB-CB 4.12Å; W45-F71 HydrophobicContact CB-CD1 3.54Å; W45-F71 HydrophobicContact CB-CD2 3.94Å; W45-F71 HydrophobicContact CB-CE1 3.85Å; W45-F71 HydrophobicContact CB-CE2 4.23Å; W45-F71 HydrophobicContact CB-CG 3.6Å; W45-F71 HydrophobicContact CB-CZ 4.19Å; W45-F71 HydrophobicContact CD2-CD1 4.08Å; W45-F71 AromaticContact CD2-CE1 3.53Å; W45-F71 HydrophobicContact CD2-CE1 3.53Å; W45-F71 AromaticContact CD2-CZ 3.87Å; W45-F71 HydrophobicContact CD2-CZ 3.87Å; W45-F71 AromaticContact CE3-CE1 3.66Å; W45-F71 HydrophobicContact CE3-CE1 3.66Å; W45-F71 HydrophobicContact CE3-CE2 4.24Å; W45-F71 AromaticContact CE3-CZ 3.49Å; W45-F71 HydrophobicContact CE3-CZ 3.49Å; W45-F71 VanDerWaalsContact CE3-CZ 3.49Å; W45-F71 AromaticContact CG-CD1 3.64Å; W45-F71 HydrophobicContact CG-CD1 3.64Å; W45-F71 AromaticContact CG-CE1 3.62Å; W45-F71 HydrophobicContact CG-CE1 3.62Å; W45-F71 HydrophobicContact CG-CG 4.23Å; W45-F71 HydrophobicContact CG-CZ 4.19Å; W45-F71 HydrophobicContact CZ3-CE1 4.38Å; W45-F71 HydrophobicContact CZ3-CZ 4.13Å
46N97.8Very high93.7Very high76 Ų7663.2 Ų63.241%0.40635%0.346SS..THydrogen-bonded Turntrans-89.12.2174.5-74.9-39.9000113.9I42 K43 A44 R65 F71I42-N46 PolarHBondContact O-N 3.41Å; I42-N46 PolarHBondContact O-ND2 3.12Å; K43-N46 CarbonylContact O-C 3.52Å; K43-N46 PolarHBondContact O-N 2.94Å; A44-N46 PolarHBondContact O-N 3.5Å; N46-R65 VanDerWaalsContact C-NH1 3.26Å; N46-F71 PolarHBondContact ND2-O 3.05Å; N46-F71 VanDerWaalsContact ND2-O 3.09Å
47S96.1Very high93.6Very high42 Ų4262.5 Ų62.529%0.29434%0.343SS..SBendtrans-105.2176179.682.50000112.7K43 A44 T49 R65K43-S47 PolarHBondContact O-N 2.8Å; K43-S47 VanDerWaalsContact O-N 3.15Å; A44-S47 WeakPolarHBondContact O-CB 3.44Å; A44-S47 PolarHBondContact O-N 3.34Å; A44-S47 PolarHBondContact O-OG 2.76Å; S47-T49 PolarHBondContact O-N 2.94Å; S47-T49 PolarHBondContact OG-N 3.39Å; S47-T49 PolarHBondContact OG-O 2.79Å; S47-R65 PolarHBondContact O-NH1 2.64Å
48D93.9Very high93.6Very high112 Ų11261 Ų6160%0.59933%0.326SS*.SBendtrans-76.1-9.3175.6-58.4-28.9000113.3K58 R65D48-K58 WeakPolarHBondContact O-CE 3.41Å; D48-K58 PolarHBondContact O-NZ 3.39Å; D48-R65 IonicContact OD1-NH2 2.88Å
49T91.9Very high93.7Very high111 Ų11163.5 Ų63.568%0.68134%0.336SS*.SBendtrans-117.998.7177.7-55.30000109.2S47S47-T49 PolarHBondContact O-N 2.94Å; S47-T49 PolarHBondContact OG-N 3.39Å; S47-T49 PolarHBondContact OG-O 2.79Å
50L93.8Very high93.7Very high27 Ų2758.6 Ų58.614%0.14131%0.313CS..  trans-62.5151.5179.5-60.8-173.3000111.8W45 I52 L57 K58 V61W45-L50 HydrophobicContact CE3-CD2 3.89Å; W45-L50 HydrophobicContact CZ3-CD1 4.15Å; W45-L50 HydrophobicContact CZ3-CD2 4.3Å; L50-I52 PolarHBondContact O-N 2.97Å; L50-L57 HydrophobicContact CD1-CD2 4.11Å; L50-L57 HydrophobicContact CD1-CG 3.92Å; L50-K58 HydrophobicContact CD1-CB 4.26Å; L50-V61 HydrophobicContact CD1-CB 4.3Å; L50-V61 HydrophobicContact CD1-CG2 3.95Å; L50-V61 HydrophobicContact CD2-CG1 4.13Å
51P89.7Confident93.9Very high51 Ų5153.5 Ų53.533%0.33128%0.282SS..SBendtrans-72.9-11-179.328.4-32.9000113.7R41 A44 W45R41-P51 HydrophobicContact CG-CB 4.32Å; R41-P51 HydrophobicContact CG-CG 4.21Å; A44-P51 HydrophobicContact CB-CB 3.79Å; A44-P51 HydrophobicContact CB-CG 4.08Å; W45-P51 HydrophobicContact CD2-CG 3.8Å; W45-P51 VanDerWaalsContact CE2-CG 3.5Å; W45-P51 HydrophobicContact CG-CG 3.82Å; W45-P51 HydrophobicContact CZ2-CG 4.12Å; W45-P51 VanDerWaalsContact NE1-CG 3.33Å
52I86.8Confident94Very high18 Ų1853.8 Ų53.89%0.09229%0.287CS..SBendtrans-131.2146.6177.362.6172.6000109.6Y14 P18 W45 L50 L57Y14-I52 HydrophobicContact CD1-CB 4.21Å; Y14-I52 HydrophobicContact CD1-CD1 4Å; Y14-I52 HydrophobicContact CD1-CG2 4.07Å; Y14-I52 HydrophobicContact CD2-CG2 3.96Å; Y14-I52 HydrophobicContact CE1-CB 3.73Å; Y14-I52 HydrophobicContact CE1-CD1 4.35Å; Y14-I52 HydrophobicContact CE1-CG2 3.74Å; Y14-I52 HydrophobicContact CE2-CB 4.5Å; Y14-I52 HydrophobicContact CE2-CG2 3.63Å; Y14-I52 HydrophobicContact CG-CD1 4.43Å; Y14-I52 HydrophobicContact CG-CG2 4.17Å; P18-I52 HydrophobicContact CG-CD1 3.67Å; W45-I52 HydrophobicContact CH2-CD1 3.75Å; W45-I52 HydrophobicContact CH2-CG1 3.85Å; W45-I52 HydrophobicContact CZ2-CD1 3.85Å; W45-I52 HydrophobicContact CZ2-CG1 3.97Å; L50-I52 PolarHBondContact O-N 2.97Å; I52-L57 HydrophobicContact CD1-CD2 3.71Å; I52-L57 HydrophobicContact CG1-CD2 3.67Å
53Y84.1Confident93.9Very high123 Ų12355.6 Ų55.648%0.48230%0.3SS..  trans-101.1119.8174.3176.2-98.5000109.5
54E86.9Confident93.9Very high10 Ų1049.8 Ų49.85%0.04728%0.276CS..  trans-142.4133.2173-83.8-65158.400108.6G56 L57 E165 G166 T167 A168E54-G56 PolarHBondContact O-N 3.38Å; E54-L57 HydrophobicContact CB-CB 3.65Å; E54-L57 HydrophobicContact CB-CD2 3.89Å; E54-L57 HydrophobicContact CB-CG 4.4Å; E54-L57 HydrophobicContact CG-CD2 4.36Å; E54-L57 WeakPolarHBondContact O-CB 3.47Å; E54-L57 PolarHBondContact O-N 3.15Å; E54-L57 VanDerWaalsContact O-N 3.13Å; E54-E165 WeakPolarHBondContact OE1-CA 3.05Å; E54-G166 VanDerWaalsContact CD-N 3.28Å; E54-G166 PolarHBondContact OE1-N 3.46Å; E54-G166 WeakPolarHBondContact OE2-CA 3.2Å; E54-G166 PolarHBondContact OE2-N 2.9Å; E54-T167 PolarHBondContact OE2-N 3.45Å; E54-A168 HydrophobicContact CG-CB 4.04Å; E54-A168 WeakPolarHBondContact OE2-CB 3.39Å; E54-A168 PolarHBondContact OE2-N 3.31Å
55P88.3Confident94Very high59 Ų5951.4 Ų51.438%0.38328%0.277SS..THydrogen-bonded Turntrans-56.4123.2176.4-26.235.9000112L57P55-L57 VanDerWaalsContact C-N 3.31Å; P55-L57 PolarHBondContact O-N 2.92Å
56G93.9Very high94Very high36 Ų3654.1 Ų54.137%0.37131%0.305SS..THydrogen-bonded Turntrans83.1-5.1178.700000115.6E54 E59 V60E54-G56 PolarHBondContact O-N 3.38Å; G56-E59 WeakPolarHBondContact CA-OE2 3.47Å; G56-V60 VanDerWaalsContact O-CG2 3.31Å; G56-V60 WeakPolarHBondContact O-CG2 3.39Å; G56-V60 PolarHBondContact O-N 3.16Å
57L95.3Very high94Very high1 Ų158 Ų581%0.00532%0.318CS..Hα-helixtrans-72.1-38.8-174.7176.864.8000112.1P18 W45 L50 I52 E54 P55 E59 V60 V61 V169P18-L57 HydrophobicContact CB-CD1 4.13Å; P18-L57 HydrophobicContact CG-CD1 4.2Å; P18-L57 HydrophobicContact CG-CD2 4.17Å; W45-L57 HydrophobicContact CH2-CD2 3.99Å; W45-L57 HydrophobicContact CZ3-CD2 4.25Å; L50-L57 HydrophobicContact CD1-CD2 4.11Å; L50-L57 HydrophobicContact CD1-CG 3.92Å; I52-L57 HydrophobicContact CD1-CD2 3.71Å; I52-L57 HydrophobicContact CG1-CD2 3.67Å; E54-L57 HydrophobicContact CB-CB 3.65Å; E54-L57 HydrophobicContact CB-CD2 3.89Å; E54-L57 HydrophobicContact CB-CG 4.4Å; E54-L57 HydrophobicContact CG-CD2 4.36Å; E54-L57 WeakPolarHBondContact O-CB 3.47Å; E54-L57 PolarHBondContact O-N 3.15Å; E54-L57 VanDerWaalsContact O-N 3.13Å; P55-L57 VanDerWaalsContact C-N 3.31Å; P55-L57 PolarHBondContact O-N 2.92Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.35Å; L57-V60 PolarHBondContact O-N 3.24Å; L57-V61 HydrophobicContact CD1-CG2 4.01Å; L57-V61 HydrophobicContact CG-CG2 4.22Å; L57-V61 WeakPolarHBondContact O-CG2 3.37Å; L57-V61 PolarHBondContact O-N 3.46Å; L57-V169 HydrophobicContact CB-CG2 3.87Å; L57-V169 HydrophobicContact CD1-CG2 4.33Å
58K95.6Very high94.1Very high89 Ų8956.6 Ų56.639%0.38731%0.307SS..Hα-helixtrans-59.6-45.6-178.8-178.9170.4174.91650110.9D48 L50 V60 V61 E62D48-K58 WeakPolarHBondContact O-CE 3.41Å; D48-K58 PolarHBondContact O-NZ 3.39Å; L50-K58 HydrophobicContact CD1-CB 4.26Å; K58-V60 VanDerWaalsContact C-N 3.34Å; K58-V60 PolarHBondContact O-N 3.49Å; K58-V61 PolarHBondContact O-N 3.34Å; K58-E62 WeakPolarHBondContact CE-OE1 3.23Å; K58-E62 HydrophobicContact CG-CG 4.4Å; K58-E62 IonicContact NZ-OE1 2.78Å; K58-E62 WeakPolarHBondContact O-CB 3.37Å; K58-E62 WeakPolarHBondContact O-CG 3.33Å; K58-E62 PolarHBondContact O-N 2.87Å
59E96.7Very high94.3Very high120 Ų12051.3 Ų51.356%0.56128%0.279SS*.Hα-helixtrans-63.1-40.4179.1-61.575.1-167.800111.5G56 L57 S63G56-E59 WeakPolarHBondContact CA-OE2 3.47Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 3.35Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 3.37Å
60V97.4Very high94.7Very high3 Ų349.9 Ų49.92%0.01826%0.263CS..Hα-helixtrans-63.6-50.6175.7174.40000110.6S21 V22 Q25 G56 L57 K58 S63 V169S21-V60 WeakPolarHBondContact O-CG1 3.46Å; V22-V60 HydrophobicContact CG2-CG1 4.38Å; Q25-V60 HydrophobicContact CB-CG1 4.12Å; G56-V60 VanDerWaalsContact O-CG2 3.31Å; G56-V60 WeakPolarHBondContact O-CG2 3.39Å; G56-V60 PolarHBondContact O-N 3.16Å; L57-V60 PolarHBondContact O-N 3.24Å; K58-V60 VanDerWaalsContact C-N 3.34Å; K58-V60 PolarHBondContact O-N 3.49Å; V60-S63 PolarHBondContact O-N 3.24Å; V60-S63 PolarHBondContact O-OG 2.78Å; V60-V169 HydrophobicContact CG2-CG1 3.99Å
61V98.1Very high94.9Very high1 Ų149.2 Ų49.21%0.00626%0.259CS..Hα-helixtrans-60.9-49.3-178.7173.90000110.9W45 L50 L57 K58 S63 C64 R65 L69 F71W45-V61 HydrophobicContact CE3-CG2 4.39Å; W45-V61 HydrophobicContact CZ3-CG2 3.89Å; L50-V61 HydrophobicContact CD1-CB 4.3Å; L50-V61 HydrophobicContact CD1-CG2 3.95Å; L50-V61 HydrophobicContact CD2-CG1 4.13Å; L57-V61 HydrophobicContact CD1-CG2 4.01Å; L57-V61 HydrophobicContact CG-CG2 4.22Å; L57-V61 WeakPolarHBondContact O-CG2 3.37Å; L57-V61 PolarHBondContact O-N 3.46Å; K58-V61 PolarHBondContact O-N 3.34Å; V61-S63 PolarHBondContact O-N 3.48Å; V61-C64 PolarHBondContact O-N 2.88Å; V61-R65 HydrophobicContact CG1-CB 4.19Å; V61-R65 WeakPolarHBondContact O-CB 3.24Å; V61-R65 PolarHBondContact O-N 3.49Å; V61-L69 HydrophobicContact CG1-CD2 4.42Å; V61-F71 HydrophobicContact CG1-CE2 4.18Å
62E97.4Very high95.3Very high89 Ų8948.7 Ų48.742%0.41626%0.257SS..Hα-helixtrans-61.4-30.8-179.6-73176.7171.400112.7K58 C64K58-E62 WeakPolarHBondContact CE-OE1 3.23Å; K58-E62 HydrophobicContact CG-CG 4.4Å; K58-E62 IonicContact NZ-OE1 2.78Å; K58-E62 WeakPolarHBondContact O-CB 3.37Å; K58-E62 WeakPolarHBondContact O-CG 3.33Å; K58-E62 PolarHBondContact O-N 2.87Å; E62-C64 VanDerWaalsContact C-N 3.29Å; E62-C64 PolarHBondContact O-N 2.89Å
63S97.3Very high95.9Very high45 Ų4551.1 Ų51.132%0.31527%0.273SS..Hα-helixtrans-67.9-26.9179.574.60000113.9Q25 E59 V60 V61 K67Q25-S63 PolarHBondContact NE2-OG 3.38Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 3.37Å; V60-S63 PolarHBondContact O-N 3.24Å; V60-S63 PolarHBondContact O-OG 2.78Å; V61-S63 PolarHBondContact O-N 3.48Å; S63-K67 WeakPolarHBondContact O-CD 3.41Å; S63-K67 WeakPolarHBondContact O-CE 3.31Å; S63-K67 PolarHBondContact O-NZ 3.33Å
64C97.4Very high96.5Very high9 Ų948.7 Ų48.76%0.06127%0.268CS..Hα-helixtrans-120-24.3-170.8-59.80000114.4A24 Q25 V61 E62 G66 K67 N68 L69A24-C64 HydrophobicContact CB-CB 4.15Å; Q25-C64 WeakPolarHBondContact CA-SG 3.43Å; V61-C64 PolarHBondContact O-N 2.88Å; E62-C64 VanDerWaalsContact C-N 3.29Å; E62-C64 PolarHBondContact O-N 2.89Å; C64-G66 PolarHBondContact O-N 2.86Å; C64-K67 WeakPolarHBondContact O-CB 3.19Å; C64-K67 PolarHBondContact O-N 2.89Å; C64-N68 PolarHBondContact O-N 2.7Å; C64-L69 HydrophobicContact CB-CB 3.86Å; C64-L69 HydrophobicContact CB-CD2 4.37Å; C64-L69 PolarHBondContact O-N 3.09Å; C64-L69 VanDerWaalsContact O-N 3.15Å
65R98.1Very high97Very high58 Ų5848.7 Ų48.722%0.21927%0.268CS..BIsolated β-bridgetrans-59.6127.8-176.6-173.6175.869.6-169.81.8110.5W45 N46 S47 D48 V61 K67 L69W45-R65 WeakPolarHBondContact O-CD 3.14Å; W45-R65 PolarHBondContact O-NH1 2.94Å; N46-R65 VanDerWaalsContact C-NH1 3.26Å; S47-R65 PolarHBondContact O-NH1 2.64Å; D48-R65 IonicContact OD1-NH2 2.88Å; V61-R65 HydrophobicContact CG1-CB 4.19Å; V61-R65 WeakPolarHBondContact O-CB 3.24Å; V61-R65 PolarHBondContact O-N 3.49Å; R65-K67 PolarHBondContact O-N 3.01Å; R65-L69 WeakPolarHBondContact CA-O 3.43Å
66G97.3Very high97.4Very high57 Ų5748.6 Ų48.659%0.58827%0.268SS*.THydrogen-bonded Turntrans78.6-1-17700000114.9C64 L69C64-G66 PolarHBondContact O-N 2.86Å; G66-L69 PolarHBondContact N-O 3.34Å
67K98.1Very high97.6Very high157 Ų15749.4 Ų49.468%0.68327%0.268SS*.THydrogen-bonded Turntrans-101.1-66.2171.3-59.3177.9-172.3163.30110.4S63 C64 R65 F70S63-K67 WeakPolarHBondContact O-CD 3.41Å; S63-K67 WeakPolarHBondContact O-CE 3.31Å; S63-K67 PolarHBondContact O-NZ 3.33Å; C64-K67 WeakPolarHBondContact O-CB 3.19Å; C64-K67 PolarHBondContact O-N 2.89Å; R65-K67 PolarHBondContact O-N 3.01Å; K67-F70 WeakPolarHBondContact O-CZ 3.26Å
68N98.4Very high97.7Very high13 Ų1350 Ų507%0.0727%0.273CS..THydrogen-bonded Turntrans-134.3-2.6176.772.3-38.7000112.9A24 C27 P28 I30 V32 C64A24-N68 PolarHBondContact O-ND2 3.39Å; C27-N68 PolarHBondContact O-ND2 3.45Å; P28-N68 WeakPolarHBondContact CA-ND2 3.4Å; I30-N68 PolarHBondContact O-ND2 3.18Å; I30-N68 VanDerWaalsContact O-ND2 3.07Å; V32-N68 PolarHBondContact N-O 3.44Å; C64-N68 PolarHBondContact O-N 2.7Å
69L98.8Very high97.8Very high0 Ų045.8 Ų45.80%025%0.254CS..EExtended strand (participates in β ladder)trans-107.7128.1170.8178.966000110.5A24 V32 V34 V61 C64 R65 G66 F71A24-L69 HydrophobicContact CB-CB 3.75Å; A24-L69 HydrophobicContact CB-CD1 4.16Å; A24-L69 HydrophobicContact CB-CG 4.41Å; V32-L69 HydrophobicContact CB-CD1 4.29Å; V32-L69 HydrophobicContact CG1-CD1 4.26Å; V32-L69 CarbonylContact O-C 3.42Å; V32-L69 WeakPolarHBondContact O-CA 3.35Å; V34-L69 HydrophobicContact CG2-CD1 4.22Å; V61-L69 HydrophobicContact CG1-CD2 4.42Å; C64-L69 HydrophobicContact CB-CB 3.86Å; C64-L69 HydrophobicContact CB-CD2 4.37Å; C64-L69 PolarHBondContact O-N 3.09Å; C64-L69 VanDerWaalsContact O-N 3.15Å; R65-L69 WeakPolarHBondContact CA-O 3.43Å; G66-L69 PolarHBondContact N-O 3.34Å; L69-F71 HydrophobicContact CD1-CE2 4.39Å; L69-F71 HydrophobicContact CD1-CZ 4.3Å; L69-F71 HydrophobicContact CD2-CE2 3.8Å; L69-F71 HydrophobicContact CD2-CZ 4Å; L69-F71 HydrophobicContact CG-CE2 3.87Å; L69-F71 HydrophobicContact CG-CZ 4.21Å
70F98.7Very high97.8Very high81 Ų8146.1 Ų46.136%0.35525%0.254SS..EExtended strand (participates in β ladder)trans-132.7144.3-179-57.2-83.5000111.4T31 V32 T33 V34 K67T31-F70 HydrophobicContact CG2-CD2 4Å; T31-F70 HydrophobicContact CG2-CE2 3.89Å; V32-F70 PolarHBondContact O-N 2.86Å; T33-F70 CarbonylContact C-O 3.56Å; T33-F70 WeakPolarHBondContact CA-O 3.34Å; T33-F70 HydrophobicContact CG2-CB 4.34Å; V34-F70 PolarHBondContact N-O 3.4Å; K67-F70 WeakPolarHBondContact O-CZ 3.26Å
71F98.7Very high97.8Very high13 Ų1350.2 Ų50.26%0.05728%0.276CS..EExtended strand (participates in β ladder)trans-119.8124.4172.9-62.1-90.3000109.4V34 I42 W45 N46 V61 L69V34-F71 HydrophobicContact CB-CD1 3.65Å; V34-F71 HydrophobicContact CB-CE1 3.81Å; V34-F71 HydrophobicContact CG1-CD1 4.12Å; V34-F71 HydrophobicContact CG1-CE1 4.16Å; V34-F71 HydrophobicContact CG2-CD1 4.22Å; V34-F71 HydrophobicContact CG2-CE1 3.91Å; V34-F71 VanDerWaalsContact O-CA 3.32Å; V34-F71 WeakPolarHBondContact O-CA 3.3Å; I42-F71 HydrophobicContact CD1-CB 4.26Å; I42-F71 HydrophobicContact CG2-CB 4.21Å; W45-F71 HydrophobicContact CB-CB 4.12Å; W45-F71 HydrophobicContact CB-CD1 3.54Å; W45-F71 HydrophobicContact CB-CD2 3.94Å; W45-F71 HydrophobicContact CB-CE1 3.85Å; W45-F71 HydrophobicContact CB-CE2 4.23Å; W45-F71 HydrophobicContact CB-CG 3.6Å; W45-F71 HydrophobicContact CB-CZ 4.19Å; W45-F71 HydrophobicContact CD2-CD1 4.08Å; W45-F71 AromaticContact CD2-CE1 3.53Å; W45-F71 HydrophobicContact CD2-CE1 3.53Å; W45-F71 AromaticContact CD2-CZ 3.87Å; W45-F71 HydrophobicContact CD2-CZ 3.87Å; W45-F71 AromaticContact CE3-CE1 3.66Å; W45-F71 HydrophobicContact CE3-CE1 3.66Å; W45-F71 HydrophobicContact CE3-CE2 4.24Å; W45-F71 AromaticContact CE3-CZ 3.49Å; W45-F71 HydrophobicContact CE3-CZ 3.49Å; W45-F71 VanDerWaalsContact CE3-CZ 3.49Å; W45-F71 AromaticContact CG-CD1 3.64Å; W45-F71 HydrophobicContact CG-CD1 3.64Å; W45-F71 AromaticContact CG-CE1 3.62Å; W45-F71 HydrophobicContact CG-CE1 3.62Å; W45-F71 HydrophobicContact CG-CG 4.23Å; W45-F71 HydrophobicContact CG-CZ 4.19Å; W45-F71 HydrophobicContact CZ3-CE1 4.38Å; W45-F71 HydrophobicContact CZ3-CZ 4.13Å; N46-F71 PolarHBondContact ND2-O 3.05Å; N46-F71 VanDerWaalsContact ND2-O 3.09Å; V61-F71 HydrophobicContact CG1-CE2 4.18Å; L69-F71 HydrophobicContact CD1-CE2 4.39Å; L69-F71 HydrophobicContact CD1-CZ 4.3Å; L69-F71 HydrophobicContact CD2-CE2 3.8Å; L69-F71 HydrophobicContact CD2-CZ 4Å; L69-F71 HydrophobicContact CG-CE2 3.87Å; L69-F71 HydrophobicContact CG-CZ 4.21Å
72S98.4Very high97.8Very high40 Ų4050.2 Ų50.228%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-141.2159.2-173.2-175.30000112.5V34 V35 D36 D74V34-S72 PolarHBondContact O-N 3.41Å; V35-S72 VanDerWaalsContact CA-O 3.23Å; V35-S72 WeakPolarHBondContact CA-O 3.47Å; D36-S72 PolarHBondContact N-O 2.82Å; S72-D74 PolarHBondContact OG-N 3.22Å
73T98.1Very high97.9Very high69 Ų6947.2 Ų47.242%0.42326%0.263SS..SBendtrans-98.5-8169.153.70000112.1E39 I42 I75E39-T73 HydrophobicContact CB-CG2 4.31Å; E39-T73 HydrophobicContact CG-CG2 4.01Å; I42-T73 HydrophobicContact CB-CG2 4.06Å; I42-T73 HydrophobicContact CG1-CG2 4.02Å; I42-T73 HydrophobicContact CG2-CG2 4.14Å; T73-I75 VanDerWaalsContact C-N 3.33Å; T73-I75 PolarHBondContact O-N 3.46Å
74D97.7Very high97.9Very high73 Ų7345 Ų4539%0.3925%0.248SC..  trans-80.777.7177.2-172.82.3000111.3S72 P76 S77 A78S72-D74 PolarHBondContact OG-N 3.22Å; D74-P76 WeakPolarHBondContact OD1-CD 3.38Å; D74-S77 VanDerWaalsContact CG-CB 3.48Å; D74-S77 PolarHBondContact OD1-N 3.44Å; D74-S77 PolarHBondContact OD1-OG 2.66Å; D74-S77 VanDerWaalsContact OD1-OG 3.11Å; D74-S77 WeakPolarHBondContact OD2-CB 3.5Å; D74-S77 PolarHBondContact OD2-OG 3.38Å; D74-A78 WeakPolarHBondContact O-CB 3.36Å; D74-A78 PolarHBondContact O-N 3.03Å
75I97.4Very high98Very high10 Ų1044.6 Ų44.65%0.05125%0.245CC..Hα-helixtrans-62.5-48.6179.6-60.1162.3000111.9V35 V37 T73 S77 A78 I79V35-I75 HydrophobicContact CB-CG1 3.79Å; V35-I75 HydrophobicContact CG2-CB 4.23Å; V35-I75 HydrophobicContact CG2-CG1 3.76Å; V35-I75 HydrophobicContact CG2-CG2 4.15Å; V37-I75 HydrophobicContact CG1-CD1 3.57Å; T73-I75 VanDerWaalsContact C-N 3.33Å; T73-I75 PolarHBondContact O-N 3.46Å; I75-S77 PolarHBondContact O-N 3.18Å; I75-A78 PolarHBondContact O-N 3.36Å; I75-I79 HydrophobicContact CG2-CD1 3.56Å; I75-I79 HydrophobicContact CG2-CG1 4.2Å; I75-I79 WeakPolarHBondContact O-CG1 3.12Å; I75-I79 PolarHBondContact O-N 3.38Å
76P97.6Very high98Very high56 Ų5641.9 Ų41.936%0.36424%0.235SC..Hα-helixtrans-56.4-47.6-178.1-28.938.4000113.8D74 I79 K80 V119D74-P76 WeakPolarHBondContact OD1-CD 3.38Å; P76-I79 PolarHBondContact O-N 3.45Å; P76-K80 WeakPolarHBondContact O-CB 3.36Å; P76-K80 PolarHBondContact O-N 2.82Å; P76-V119 HydrophobicContact CB-CG1 4.14Å
77S97.3Very high98Very high54 Ų5439.2 Ų39.238%0.37821%0.207SC..Hα-helixtrans-66.3-42.6-178.8-56.70000111.5D74 I75 I79 K80 D81D74-S77 VanDerWaalsContact CG-CB 3.48Å; D74-S77 PolarHBondContact OD1-N 3.44Å; D74-S77 PolarHBondContact OD1-OG 2.66Å; D74-S77 VanDerWaalsContact OD1-OG 3.11Å; D74-S77 WeakPolarHBondContact OD2-CB 3.5Å; D74-S77 PolarHBondContact OD2-OG 3.38Å; I75-S77 PolarHBondContact O-N 3.18Å; S77-I79 VanDerWaalsContact C-N 3.34Å; S77-I79 PolarHBondContact O-N 3.41Å; S77-K80 PolarHBondContact O-N 2.83Å; S77-K80 VanDerWaalsContact O-N 3.17Å; S77-D81 PolarHBondContact O-N 3.19Å; S77-D81 VanDerWaalsContact O-N 3.07Å
78A97.7Very high97.9Very high13 Ų1332.1 Ų32.111%0.10718%0.177CC..Hα-helixtrans-61.7-40178.400000112.4C8 T33 V35 D74 I75 A82C8-A78 HydrophobicContact CB-CB 4.39Å; C8-A78 WeakPolarHBondContact CB-O 3.31Å; T33-A78 HydrophobicContact CG2-CB 3.99Å; V35-A78 HydrophobicContact CG1-CB 3.61Å; D74-A78 WeakPolarHBondContact O-CB 3.36Å; D74-A78 PolarHBondContact O-N 3.03Å; I75-A78 PolarHBondContact O-N 3.36Å; A78-A82 WeakPolarHBondContact O-CB 3.36Å; A78-A82 PolarHBondContact O-N 3.09Å
79I97.8Very high97.5Very high0 Ų032.5 Ų32.50%018%0.18CC..Hα-helixtrans-64.8-45.6174.4-66.4168.2000110.6I10 I75 P76 S77 D81 A82 V85 Q115 I116 V119 K124I10-I79 HydrophobicContact CD1-CD1 3.79Å; I10-I79 HydrophobicContact CD1-CG1 4.1Å; I75-I79 HydrophobicContact CG2-CD1 3.56Å; I75-I79 HydrophobicContact CG2-CG1 4.2Å; I75-I79 WeakPolarHBondContact O-CG1 3.12Å; I75-I79 PolarHBondContact O-N 3.38Å; P76-I79 PolarHBondContact O-N 3.45Å; S77-I79 VanDerWaalsContact C-N 3.34Å; S77-I79 PolarHBondContact O-N 3.41Å; I79-D81 VanDerWaalsContact C-N 3.29Å; I79-D81 PolarHBondContact O-N 2.76Å; I79-A82 PolarHBondContact O-N 2.74Å; I79-V85 HydrophobicContact CG2-CG2 4.41Å; I79-Q115 HydrophobicContact CD1-CG 4.13Å; I79-I116 HydrophobicContact CD1-CG1 4Å; I79-I116 HydrophobicContact CG1-CG1 4.45Å; I79-I116 HydrophobicContact CG2-CB 4.45Å; I79-I116 HydrophobicContact CG2-CG1 4.19Å; I79-I116 HydrophobicContact CG2-CG2 4.39Å; I79-V119 HydrophobicContact CB-CG2 3.7Å; I79-V119 HydrophobicContact CD1-CG2 4.17Å; I79-V119 HydrophobicContact CG2-CG2 3.45Å; I79-V119 VanDerWaalsContact CG2-CG2 3.45Å; I79-K124 WeakPolarHBondContact O-CE 3.1Å; I79-K124 PolarHBondContact O-NZ 3.12Å
80K97.1Very high96.9Very high128 Ų12838.3 Ų38.356%0.55721%0.211SC*.Hα-helixtrans-59.7-39.7-176.6-173.1177.2-179.2178.40112.4P76 S77 K124P76-K80 WeakPolarHBondContact O-CB 3.36Å; P76-K80 PolarHBondContact O-N 2.82Å; S77-K80 PolarHBondContact O-N 2.83Å; S77-K80 VanDerWaalsContact O-N 3.17Å; K80-K124 PolarHBondContact O-NZ 3.09Å
81D96.7Very high96.3Very high88 Ų8834.7 Ų34.747%0.47120%0.195SC..Hα-helixtrans-83.2-18.9-178.1-68.8-20.4000114R6 S77 I79R6-D81 WeakPolarHBondContact CD-O 3.33Å; R6-D81 PolarHBondContact NE-O 3.33Å; R6-D81 PolarHBondContact NH2-O 2.97Å; S77-D81 PolarHBondContact O-N 3.19Å; S77-D81 VanDerWaalsContact O-N 3.07Å; I79-D81 VanDerWaalsContact C-N 3.29Å; I79-D81 PolarHBondContact O-N 2.76Å
82A98.3Very high95.7Very high2 Ų235.7 Ų35.72%0.01720%0.203CC..  trans-73.9144.3-17300000114.5C8 A78 I79 V85 K124C8-A82 HydrophobicContact CB-CB 3.55Å; A78-A82 WeakPolarHBondContact O-CB 3.36Å; A78-A82 PolarHBondContact O-N 3.09Å; I79-A82 PolarHBondContact O-N 2.74Å; A82-V85 HydrophobicContact CB-CG2 3.9Å; A82-K124 PolarHBondContact O-NZ 2.75Å
83D98.5Very high95.3Very high25 Ų2535.8 Ų35.813%0.13420%0.202CC..SBendtrans-86.6-34.6168-54.4-44000110.4F2 I4 K5 R6 K124 I125F2-D83 HydrophobicContact CE1-CB 4.27Å; F2-D83 HydrophobicContact CZ-CB 3.84Å; I4-D83 HydrophobicContact CG2-CB 4.32Å; K5-D83 WeakPolarHBondContact CA-OD2 3.41Å; K5-D83 PolarHBondContact N-OD2 2.89Å; R6-D83 PolarHBondContact N-OD2 2.82Å; R6-D83 PolarHBondContact O-N 2.7Å; D83-K124 WeakPolarHBondContact O-CA 3.37Å; D83-I125 PolarHBondContact O-N 2.86Å
84L98.6Very high94.9Very high0 Ų035.2 Ų35.20%019%0.194CC..EExtended strand (participates in β ladder)trans-125.9130.5177.1176.374.4000110.1I4 R6 I7 C8 F86 I125 T127 L195I4-L84 HydrophobicContact CD1-CB 4.12Å; I4-L84 HydrophobicContact CD1-CD1 4.5Å; I4-L84 HydrophobicContact CD1-CD2 4.18Å; I4-L84 HydrophobicContact CD1-CG 4.5Å; I4-L84 HydrophobicContact CG1-CB 4.4Å; I4-L84 HydrophobicContact CG2-CB 3.82Å; R6-L84 PolarHBondContact O-N 3.35Å; I7-L84 CarbonylContact C-O 3.49Å; I7-L84 WeakPolarHBondContact CA-O 3.42Å; I7-L84 HydrophobicContact CD1-CD2 4.02Å; I7-L84 HydrophobicContact CG1-CB 4.23Å; I7-L84 HydrophobicContact CG1-CD2 4.03Å; I7-L84 HydrophobicContact CG2-CD2 4.31Å; C8-L84 PolarHBondContact N-O 3.3Å; L84-F86 HydrophobicContact CD2-CD2 4.23Å; L84-F86 HydrophobicContact CD2-CE1 4.4Å; L84-F86 HydrophobicContact CD2-CE2 3.59Å; L84-F86 HydrophobicContact CD2-CZ 3.7Å; L84-F86 HydrophobicContact CG-CE2 4.45Å; L84-I125 CarbonylContact C-O 3.57Å; L84-I125 VanDerWaalsContact CA-O 3.28Å; L84-I125 WeakPolarHBondContact CA-O 3.41Å; L84-I125 HydrophobicContact CD1-CB 3.66Å; L84-I125 HydrophobicContact CD1-CG2 3.5Å; L84-T127 VanDerWaalsContact CD1-OG1 3.28Å; L84-T127 WeakPolarHBondContact CD1-OG1 3.35Å; L84-L195 HydrophobicContact CD2-CD1 3.84Å
85V98.7Very high94.3Very high0 Ų036.4 Ų36.40%020%0.204CC..EExtended strand (participates in β ladder)trans-117.2113.6175-174.40000109.8C8 I10 I79 A82 I116 I125 V126 T127C8-V85 HydrophobicContact CB-CG1 4.49Å; C8-V85 HydrophobicContact CB-CG2 4.36Å; C8-V85 CarbonylContact O-C 3.59Å; C8-V85 VanDerWaalsContact O-CA 3.29Å; C8-V85 WeakPolarHBondContact O-CA 3.36Å; I10-V85 HydrophobicContact CD1-CG1 3.91Å; I10-V85 HydrophobicContact CG1-CG1 4.11Å; I79-V85 HydrophobicContact CG2-CG2 4.41Å; A82-V85 HydrophobicContact CB-CG2 3.9Å; V85-I116 HydrophobicContact CG1-CD1 3.83Å; V85-I116 HydrophobicContact CG1-CG1 4.23Å; V85-I125 PolarHBondContact N-O 3.05Å; V85-V126 CarbonylContact O-C 3.48Å; V85-V126 WeakPolarHBondContact O-CA 3.42Å; V85-T127 PolarHBondContact O-N 2.73Å
86F98.5Very high93.9Very high1 Ų143.2 Ų43.20%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-80.6137.6167.8-74.1-66.8000111.2I7 C8 C9 I10 I23 L84 T127 K129 L195I7-F86 HydrophobicContact CG2-CD2 3.63Å; I7-F86 HydrophobicContact CG2-CE2 3.81Å; C8-F86 PolarHBondContact O-N 3.45Å; C9-F86 HydrophobicContact CB-CB 4Å; I10-F86 PolarHBondContact N-O 3.41Å; I23-F86 HydrophobicContact CD1-CE2 3.88Å; I23-F86 HydrophobicContact CD1-CZ 4.31Å; L84-F86 HydrophobicContact CD2-CD2 4.23Å; L84-F86 HydrophobicContact CD2-CE1 4.4Å; L84-F86 HydrophobicContact CD2-CE2 3.59Å; L84-F86 HydrophobicContact CD2-CZ 3.7Å; L84-F86 HydrophobicContact CG-CE2 4.45Å; F86-T127 CarbonylContact C-O 3.47Å; F86-T127 VanDerWaalsContact CA-O 3.29Å; F86-T127 WeakPolarHBondContact CA-O 3.35Å; F86-T127 HydrophobicContact CD1-CG2 3.79Å; F86-T127 HydrophobicContact CE1-CG2 3.58Å; F86-K129 HydrophobicContact CD1-CB 3.95Å; F86-K129 HydrophobicContact CD1-CD 4.15Å; F86-K129 HydrophobicContact CD1-CG 4.33Å; F86-K129 HydrophobicContact CE1-CD 4.07Å; F86-L195 HydrophobicContact CZ-CD1 4.08Å
87I97.3Very high93.7Very high0 Ų043.2 Ų43.20%024%0.24CC..EExtended strand (participates in β ladder)trans-106.7107167.7-57.1178.1000107.6V89 I109 C112 I116 V126 T127 K129 I140I87-V89 HydrophobicContact CG2-CG2 3.87Å; I87-I109 HydrophobicContact CG2-CD1 3.61Å; I87-C112 HydrophobicContact CD1-CB 4.24Å; I87-C112 HydrophobicContact CG1-CB 4.43Å; I87-C112 HydrophobicContact CG2-CB 4.13Å; I87-I116 HydrophobicContact CD1-CD1 3.8Å; I87-I116 HydrophobicContact CG1-CD1 4Å; I87-V126 HydrophobicContact CD1-CG1 3.7Å; I87-V126 HydrophobicContact CG1-CG1 4.12Å; I87-T127 PolarHBondContact N-O 2.79Å; I87-K129 PolarHBondContact O-N 3.24Å; I87-K129 VanDerWaalsContact O-N 3.08Å; I87-I140 HydrophobicContact CD1-CD1 4.03Å
88S94.9Very high93.4Very high8 Ų848 Ų486%0.05626%0.258CS..  trans-122.944.4-177.3-61.90000111.3C9 I10 K129C9-S88 PolarHBondContact SG-OG 2.86Å; I10-S88 CarbonylContact O-C 3.53Å; I10-S88 WeakPolarHBondContact O-CA 3.25Å; I10-S88 PolarHBondContact O-N 2.85Å; S88-K129 WeakPolarHBondContact OG-CB 3.37Å
89V91.3Very high93Very high22 Ų2247.9 Ų47.913%0.13326%0.258CS..  trans-94.5157.6179-60.50000111.7I10 I87 F108 I109 S130I10-V89 HydrophobicContact CG2-CG1 4.19Å; I87-V89 HydrophobicContact CG2-CG2 3.87Å; V89-F108 HydrophobicContact CB-CB 4.15Å; V89-F108 HydrophobicContact CG2-CB 3.73Å; V89-I109 HydrophobicContact CG2-CD1 3.66Å; V89-I109 HydrophobicContact CG2-CG1 4.29Å; V89-S130 WeakPolarHBondContact O-CB 3.44Å; V89-S130 PolarHBondContact O-OG 3.11Å; V89-S130 VanDerWaalsContact O-OG 3.12Å
90N85.3Confident92.7Very high122 Ų12254.7 Ų54.765%0.65229%0.288SS*.  trans-68.8143.4177.1-70.4-16.7000111.1P92 F108N90-P92 WeakPolarHBondContact O-CD 3.36Å; N90-F108 VanDerWaalsContact O-CD2 3.27Å; N90-F108 WeakPolarHBondContact O-CD2 3.38Å
91T87Confident92.3Very high5 Ų550.4 Ų50.43%0.03128%0.281CS..  trans-116.877.1168.850.90000108.6L106 I109 T131 V132T91-L106 HydrophobicContact CG2-CD2 4.18Å; T91-I109 HydrophobicContact CG2-CD1 4.13Å; T91-I109 HydrophobicContact CG2-CG1 3.62Å; T91-T131 PolarHBondContact OG1-O 3.02Å; T91-V132 HydrophobicContact CG2-CG1 4.2Å; T91-V132 HydrophobicContact CG2-CG2 4.18Å
92P86.7Confident92Very high34 Ų3449.4 Ų49.422%0.22127%0.27CS..PPolyproline II helixtrans-63.4150.9-173.928.7-34.9000110.5N90 K94 D105 F108N90-P92 WeakPolarHBondContact O-CD 3.36Å; P92-K94 PolarHBondContact O-N 2.69Å; P92-D105 HydrophobicContact CG-CB 4.27Å; P92-D105 WeakPolarHBondContact O-CB 3.31Å; P92-D105 PolarHBondContact O-N 2.8Å; P92-F108 HydrophobicContact CG-CD2 4.41Å; P92-F108 HydrophobicContact CG-CE2 4.04Å
93T88.4Confident91.6Very high42 Ų4249.6 Ų49.626%0.25827%0.271SS..BIsolated β-bridgetrans-62.6136172.4-50.70000110.5T95 G101 R102 A103T93-T95 PolarHBondContact O-N 2.67Å; T93-G101 WeakPolarHBondContact CG2-O 3.27Å; T93-R102 VanDerWaalsContact CG2-N 3.29Å; T93-A103 WeakPolarHBondContact CA-O 3.45Å
94K89.3Confident91.1Very high57 Ų5749 Ų4925%0.24827%0.27CS..PPolyproline II helixtrans-60.4131.2177.8-70.3179.871.3-177.70110.6P92 M98 K100 G101 A103 D105P92-K94 PolarHBondContact O-N 2.69Å; K94-M98 WeakPolarHBondContact CE-O 3.23Å; K94-M98 PolarHBondContact NZ-O 3.35Å; K94-K100 WeakPolarHBondContact O-CA 3.38Å; K94-G101 PolarHBondContact O-N 2.77Å; K94-A103 HydrophobicContact CD-CB 4.14Å; K94-A103 WeakPolarHBondContact CG-O 3.45Å; K94-A103 PolarHBondContact N-O 2.82Å; K94-D105 HydrophobicContact CG-CB 3.84Å
95T87Confident90.7Very high97 Ų9750.3 Ų50.360%0.59528%0.277SS*.SBendtrans-95.2-4.7177.954.80000113.3T93 K100T93-T95 PolarHBondContact O-N 2.67Å; T95-K100 WeakPolarHBondContact O-CD 3.35Å; T95-K100 WeakPolarHBondContact O-CE 3.3Å; T95-K100 WeakPolarHBondContact O-CG 3.33Å
96Y88.3Confident90.3Very high154 Ų15452.4 Ų52.460%0.60429%0.288SS*.SBendtrans-150.7164.8-179.455.3-93.7000112.1
97G93.6Very high90.1Very high56 Ų5656.7 Ų56.758%0.57731%0.307SS*.SBendtrans69.7-160.5175.500000114.6G99 K100G97-G99 PolarHBondContact O-N 3.14Å; G97-K100 WeakPolarHBondContact O-CB 3.42Å; G97-K100 PolarHBondContact O-N 3.07Å; G97-K100 VanDerWaalsContact O-N 3.1Å
98M91.1Very high89.8Confident153 Ų15361.1 Ų61.175%0.75433%0.326SS*.THydrogen-bonded Turntrans-60.4129.3179.6-65.6-166.7-62.300111.3K94K94-M98 WeakPolarHBondContact CE-O 3.23Å; K94-M98 PolarHBondContact NZ-O 3.35Å
99G89.1Confident89.8Confident11 Ų1160.8 Ų60.811%0.11332%0.324CS..THydrogen-bonded Turntrans76.518-176.700000114.4G97 G101 R102 A103G97-G99 PolarHBondContact O-N 3.14Å; G99-G101 PolarHBondContact O-N 3.13Å; G99-R102 PolarHBondContact O-N 2.94Å; G99-A103 PolarHBondContact O-N 3.47Å
100K92.1Very high89.9Confident143 Ų14363.4 Ų63.462%0.62234%0.335SS*.THydrogen-bonded Turntrans-47.3129.5172.7176.1178.1178.3-175.20110.7K94 T95 G97 R102K94-K100 WeakPolarHBondContact O-CA 3.38Å; T95-K100 WeakPolarHBondContact O-CD 3.35Å; T95-K100 WeakPolarHBondContact O-CE 3.3Å; T95-K100 WeakPolarHBondContact O-CG 3.33Å; G97-K100 WeakPolarHBondContact O-CB 3.42Å; G97-K100 PolarHBondContact O-N 3.07Å; G97-K100 VanDerWaalsContact O-N 3.1Å; K100-R102 PolarHBondContact O-N 3.4Å
101G87.6Confident90.4Very high39 Ų3960.9 Ų60.940%0.40233%0.327SS..THydrogen-bonded Turntrans76.8-2.4178.800000115.1T93 K94 G99T93-G101 WeakPolarHBondContact CG2-O 3.27Å; K94-G101 PolarHBondContact O-N 2.77Å; G99-G101 PolarHBondContact O-N 3.13Å
102R90Very high90.9Very high67 Ų6761.1 Ų61.125%0.25333%0.328SS..THydrogen-bonded Turntrans-134.1-50.3-174-56.3-172.9-67.2151.44.9114.1T93 G99 K100 L282 N283 E289T93-R102 VanDerWaalsContact CG2-N 3.29Å; G99-R102 PolarHBondContact O-N 2.94Å; K100-R102 PolarHBondContact O-N 3.4Å; R102-L282 HydrophobicContact CB-CB 4.28Å; R102-L282 HydrophobicContact CG-CB 4.43Å; R102-L282 HydrophobicContact CG-CD2 4.27Å; R102-N283 PolarHBondContact O-ND2 3.39Å; R102-E289 IonicContact CZ-OE1 3.74Å; R102-E289 IonicContact CZ-OE2 3.66Å; R102-E289 IonicContact NH1-OE1 2.81Å; R102-E289 PolarHBondContact NH1-OE1 3.25Å; R102-E289 IonicContact NH1-OE2 3.03Å; R102-E289 PolarHBondContact NH1-OE2 3.03Å; R102-E289 IonicContact NH2-OE1 3.81Å; R102-E289 IonicContact NH2-OE2 3.42Å; R102-E289 PolarHBondContact NH2-OE2 3.38Å
103A89.4Confident91.3Very high5 Ų559.5 Ų59.54%0.04132%0.318CS..SBendtrans-75.5140.2-178.800000111.5T93 K94 G99 Y286T93-A103 WeakPolarHBondContact CA-O 3.45Å; K94-A103 HydrophobicContact CD-CB 4.14Å; K94-A103 WeakPolarHBondContact CG-O 3.45Å; K94-A103 PolarHBondContact N-O 2.82Å; G99-A103 PolarHBondContact O-N 3.47Å; A103-Y286 HydrophobicContact CB-CD1 3.53Å; A103-Y286 HydrophobicContact CB-CD2 4.47Å; A103-Y286 HydrophobicContact CB-CE1 3.48Å; A103-Y286 VanDerWaalsContact CB-CE1 3.48Å; A103-Y286 HydrophobicContact CB-CE2 4.44Å; A103-Y286 HydrophobicContact CB-CG 4.03Å
104A89.5Confident91.8Very high14 Ų1463.1 Ų63.112%0.11633%0.327CS..BIsolated β-bridgetrans-72.3143.4170.600000112.2P133 N283A104-P133 HydrophobicContact CB-CB 4.43Å; A104-P133 HydrophobicContact CB-CG 3.81Å; A104-N283 VanDerWaalsContact CB-OD1 3.28Å; A104-N283 WeakPolarHBondContact CB-OD1 3.45Å; A104-N283 PolarHBondContact N-OD1 2.77Å
105D90.1Very high92.1Very high26 Ų2662.9 Ų62.914%0.13933%0.326CS..  trans-90.7114174-173-6.4000109.7P92 K94 K107P92-D105 HydrophobicContact CG-CB 4.27Å; P92-D105 WeakPolarHBondContact O-CB 3.31Å; P92-D105 PolarHBondContact O-N 2.8Å; K94-D105 HydrophobicContact CG-CB 3.84Å; D105-K107 VanDerWaalsContact C-N 3.32Å; D105-K107 PolarHBondContact O-N 2.9Å; D105-K107 WeakPolarHBondContact OD1-CB 3.45Å; D105-K107 WeakPolarHBondContact OD1-CG 3.49Å; D105-K107 PolarHBondContact OD1-N 3.13Å; D105-K107 VanDerWaalsContact OD1-N 3.1Å; D105-K107 VanDerWaalsContact OD2-CD 3.27Å; D105-K107 WeakPolarHBondContact OD2-CD 3.32Å; D105-K107 VanDerWaalsContact OD2-CE 3.29Å; D105-K107 WeakPolarHBondContact OD2-CE 3.33Å; D105-K107 IonicContact OD2-NZ 2.81Å; D105-K107 PolarHBondContact OD2-NZ 3.45Å
106L90.8Very high92.6Very high44 Ų4458.2 Ų58.223%0.2330%0.298CS..  trans-86.14.9-177.5-65.2-177.9000113.8T91 F108 I109 E110 V132 P133 A136T91-L106 HydrophobicContact CG2-CD2 4.18Å; L106-F108 PolarHBondContact O-N 3Å; L106-F108 VanDerWaalsContact O-N 3.08Å; L106-I109 HydrophobicContact CD2-CG1 4.24Å; L106-I109 WeakPolarHBondContact O-CB 3.47Å; L106-I109 PolarHBondContact O-N 3.37Å; L106-E110 PolarHBondContact O-N 3.48Å; L106-V132 HydrophobicContact CD2-CG1 3.93Å; L106-P133 HydrophobicContact CD2-CG 3.73Å; L106-P133 HydrophobicContact CG-CG 4.43Å; L106-A136 HydrophobicContact CD2-CB 4.21Å
107K92.4Very high93Very high91 Ų9151.2 Ų51.240%0.39627%0.271SS..Hα-helixtrans-51.8-37.8-175.968.5-176.6171.9-138.20114.4D105 S111D105-K107 VanDerWaalsContact C-N 3.32Å; D105-K107 PolarHBondContact O-N 2.9Å; D105-K107 WeakPolarHBondContact OD1-CB 3.45Å; D105-K107 WeakPolarHBondContact OD1-CG 3.49Å; D105-K107 PolarHBondContact OD1-N 3.13Å; D105-K107 VanDerWaalsContact OD1-N 3.1Å; D105-K107 VanDerWaalsContact OD2-CD 3.27Å; D105-K107 WeakPolarHBondContact OD2-CD 3.32Å; D105-K107 VanDerWaalsContact OD2-CE 3.29Å; D105-K107 WeakPolarHBondContact OD2-CE 3.33Å; D105-K107 IonicContact OD2-NZ 2.81Å; D105-K107 PolarHBondContact OD2-NZ 3.45Å; K107-S111 VanDerWaalsContact O-CB 3.31Å; K107-S111 WeakPolarHBondContact O-CB 3.31Å; K107-S111 PolarHBondContact O-N 2.9Å
108F92.8Very high93.1Very high93 Ų9355.4 Ų55.441%0.40828%0.275SS..Hα-helixtrans-76.2-38.3-178.7-63.1-57.5000111.4V89 N90 P92 L106 S111 C112V89-F108 HydrophobicContact CB-CB 4.15Å; V89-F108 HydrophobicContact CG2-CB 3.73Å; N90-F108 VanDerWaalsContact O-CD2 3.27Å; N90-F108 WeakPolarHBondContact O-CD2 3.38Å; P92-F108 HydrophobicContact CG-CD2 4.41Å; P92-F108 HydrophobicContact CG-CE2 4.04Å; L106-F108 PolarHBondContact O-N 3Å; L106-F108 VanDerWaalsContact O-N 3.08Å; F108-S111 PolarHBondContact O-N 3.43Å; F108-C112 PolarHBondContact O-N 2.89Å; F108-C112 PolarHBondContact O-SG 2.81Å
109I93.3Very high93.4Very high1 Ų149.7 Ų49.71%0.00525%0.249CC..Hα-helixtrans-61-47172.5-61.4-66.7000110.1I87 V89 T91 L106 C112 A113 V132 I140I87-I109 HydrophobicContact CG2-CD1 3.61Å; V89-I109 HydrophobicContact CG2-CD1 3.66Å; V89-I109 HydrophobicContact CG2-CG1 4.29Å; T91-I109 HydrophobicContact CG2-CD1 4.13Å; T91-I109 HydrophobicContact CG2-CG1 3.62Å; L106-I109 HydrophobicContact CD2-CG1 4.24Å; L106-I109 WeakPolarHBondContact O-CB 3.47Å; L106-I109 PolarHBondContact O-N 3.37Å; I109-C112 PolarHBondContact O-N 3Å; I109-A113 WeakPolarHBondContact O-CB 3.38Å; I109-A113 PolarHBondContact O-N 2.56Å; I109-V132 HydrophobicContact CD1-CG2 4.24Å; I109-I140 HydrophobicContact CG2-CD1 3.76Å; I109-I140 HydrophobicContact CG2-CG1 3.6Å
110E94.9Very high93.7Very high78 Ų7849.1 Ų49.136%0.36424%0.244SC..Hα-helixtrans-60.9-46.1176.4170.9169-175.600111.6L106 C112 A113 R114 I143L106-E110 PolarHBondContact O-N 3.48Å; E110-C112 VanDerWaalsContact C-N 3.33Å; E110-C112 PolarHBondContact O-N 2.77Å; E110-A113 PolarHBondContact O-N 3.15Å; E110-R114 HydrophobicContact CG-CG 4.43Å; E110-R114 WeakPolarHBondContact O-CG 3.39Å; E110-R114 PolarHBondContact O-N 3.43Å; E110-R114 IonicContact OE1-CZ 2.89Å; E110-R114 VanDerWaalsContact OE1-CZ 3.25Å; E110-R114 IonicContact OE1-NE 2.74Å; E110-R114 PolarHBondContact OE1-NE 3.33Å; E110-R114 IonicContact OE1-NH2 3.36Å; E110-R114 PolarHBondContact OE1-NH2 3.22Å; E110-I143 HydrophobicContact CB-CD1 4.07Å; E110-I143 HydrophobicContact CG-CD1 3.76Å
111S95.4Very high93.8Very high69 Ų6946.4 Ų46.448%0.48324%0.236SC..Hα-helixtrans-58.5-44.5177.2-171.80000111.9K107 F108 R114 Q115K107-S111 VanDerWaalsContact O-CB 3.31Å; K107-S111 WeakPolarHBondContact O-CB 3.31Å; K107-S111 PolarHBondContact O-N 2.9Å; F108-S111 PolarHBondContact O-N 3.43Å; S111-R114 PolarHBondContact O-N 3.35Å; S111-Q115 WeakPolarHBondContact O-CB 3.27Å; S111-Q115 PolarHBondContact O-N 2.91Å
112C96.2Very high94.1Very high9 Ų946 Ų466%0.06123%0.232CC..Hα-helixtrans-64.3-45.1176.4-67.50000111.7I10 I87 F108 I109 E110 R114 Q115 I116I10-C112 HydrophobicContact CD1-CB 4.29Å; I87-C112 HydrophobicContact CD1-CB 4.24Å; I87-C112 HydrophobicContact CG1-CB 4.43Å; I87-C112 HydrophobicContact CG2-CB 4.13Å; F108-C112 PolarHBondContact O-N 2.89Å; F108-C112 PolarHBondContact O-SG 2.81Å; I109-C112 PolarHBondContact O-N 3Å; E110-C112 VanDerWaalsContact C-N 3.33Å; E110-C112 PolarHBondContact O-N 2.77Å; C112-R114 VanDerWaalsContact C-N 3.34Å; C112-R114 PolarHBondContact O-N 3.23Å; C112-Q115 PolarHBondContact O-N 3.42Å; C112-I116 WeakPolarHBondContact O-CB 3.33Å; C112-I116 WeakPolarHBondContact O-CD1 3.34Å; C112-I116 WeakPolarHBondContact O-CG1 3.37Å; C112-I116 PolarHBondContact O-N 3.34Å
113A96.8Very high94.5Very high0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-60.1-43.7177.500000111.7I109 E110 Q115 I116 V117 I140 I143 F144I109-A113 WeakPolarHBondContact O-CB 3.38Å; I109-A113 PolarHBondContact O-N 2.56Å; E110-A113 PolarHBondContact O-N 3.15Å; A113-Q115 PolarHBondContact O-N 3.5Å; A113-I116 PolarHBondContact O-N 3.24Å; A113-V117 PolarHBondContact O-N 3.12Å; A113-I140 HydrophobicContact CB-CG1 4.34Å; A113-I140 HydrophobicContact CB-CG2 4.22Å; A113-I143 HydrophobicContact CB-CB 4.33Å; A113-I143 HydrophobicContact CB-CD1 3.83Å; A113-I143 HydrophobicContact CB-CG2 4.12Å; A113-F144 HydrophobicContact CB-CE1 3.92Å; A113-F144 HydrophobicContact CB-CZ 4.4Å; A113-F144 WeakPolarHBondContact O-CE1 3.42Å
114R97.3Very high94.9Very high119 Ų11945.9 Ų45.945%0.44923%0.231SC..Hα-helixtrans-61.6-43.8176.1-72180-178.4-73.4-0.2112.3E110 S111 C112 V117 E118 I143E110-R114 HydrophobicContact CG-CG 4.43Å; E110-R114 WeakPolarHBondContact O-CG 3.39Å; E110-R114 PolarHBondContact O-N 3.43Å; E110-R114 IonicContact OE1-CZ 2.89Å; E110-R114 VanDerWaalsContact OE1-CZ 3.25Å; E110-R114 IonicContact OE1-NE 2.74Å; E110-R114 PolarHBondContact OE1-NE 3.33Å; E110-R114 IonicContact OE1-NH2 3.36Å; E110-R114 PolarHBondContact OE1-NH2 3.22Å; S111-R114 PolarHBondContact O-N 3.35Å; C112-R114 VanDerWaalsContact C-N 3.34Å; C112-R114 PolarHBondContact O-N 3.23Å; R114-V117 VanDerWaalsContact O-CG1 3.27Å; R114-V117 WeakPolarHBondContact O-CG1 3.46Å; R114-V117 PolarHBondContact O-N 3.11Å; R114-E118 WeakPolarHBondContact O-CB 3.44Å; R114-E118 PolarHBondContact O-N 2.87Å; R114-E118 VanDerWaalsContact O-N 3.08Å; R114-I143 HydrophobicContact CG-CG2 3.98Å
115Q96.6Very high95.3Very high51 Ų5145.2 Ų45.224%0.23823%0.226CC..Hα-helixtrans-64.9-42176.9-169.1173.422.700111.5I79 S111 C112 A113 E118 V119I79-Q115 HydrophobicContact CD1-CG 4.13Å; S111-Q115 WeakPolarHBondContact O-CB 3.27Å; S111-Q115 PolarHBondContact O-N 2.91Å; C112-Q115 PolarHBondContact O-N 3.42Å; A113-Q115 PolarHBondContact O-N 3.5Å; Q115-E118 PolarHBondContact O-N 3.37Å; Q115-V119 WeakPolarHBondContact O-CG2 3.47Å; Q115-V119 PolarHBondContact O-N 2.86Å; Q115-V119 VanDerWaalsContact O-N 3.15Å
116I97.3Very high95.7Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-59.3-50.3178-70.6163.1000110.6I10 I79 V85 I87 C112 A113 E118 V119 S120 V126 F144 L154I10-I116 HydrophobicContact CD1-CD1 3.97Å; I10-I116 HydrophobicContact CD1-CG1 4.03Å; I79-I116 HydrophobicContact CD1-CG1 4Å; I79-I116 HydrophobicContact CG1-CG1 4.45Å; I79-I116 HydrophobicContact CG2-CB 4.45Å; I79-I116 HydrophobicContact CG2-CG1 4.19Å; I79-I116 HydrophobicContact CG2-CG2 4.39Å; V85-I116 HydrophobicContact CG1-CD1 3.83Å; V85-I116 HydrophobicContact CG1-CG1 4.23Å; I87-I116 HydrophobicContact CD1-CD1 3.8Å; I87-I116 HydrophobicContact CG1-CD1 4Å; C112-I116 WeakPolarHBondContact O-CB 3.33Å; C112-I116 WeakPolarHBondContact O-CD1 3.34Å; C112-I116 WeakPolarHBondContact O-CG1 3.37Å; C112-I116 PolarHBondContact O-N 3.34Å; A113-I116 PolarHBondContact O-N 3.24Å; I116-E118 VanDerWaalsContact C-N 3.28Å; I116-E118 PolarHBondContact O-N 3.31Å; I116-V119 PolarHBondContact O-N 2.95Å; I116-S120 WeakPolarHBondContact O-CB 3.47Å; I116-S120 PolarHBondContact O-N 3.34Å; I116-S120 PolarHBondContact O-OG 2.81Å; I116-V126 HydrophobicContact CD1-CG1 3.96Å; I116-V126 HydrophobicContact CG2-CG2 3.99Å; I116-F144 HydrophobicContact CB-CE1 4.36Å; I116-F144 HydrophobicContact CB-CZ 4.41Å; I116-F144 HydrophobicContact CG2-CE1 4.24Å; I116-F144 HydrophobicContact CG2-CZ 4.03Å; I116-L154 HydrophobicContact CG2-CD1 4.3Å
117V97.1Very high96Very high7 Ų741.9 Ų41.94%0.04221%0.208CC..Hα-helixtrans-66.7-32.3-178.274.30000112.1A113 R114 F144 N147 K149 L152 L154A113-V117 PolarHBondContact O-N 3.12Å; R114-V117 VanDerWaalsContact O-CG1 3.27Å; R114-V117 WeakPolarHBondContact O-CG1 3.46Å; R114-V117 PolarHBondContact O-N 3.11Å; V117-F144 HydrophobicContact CB-CD1 4.02Å; V117-F144 HydrophobicContact CB-CE1 4.28Å; V117-F144 HydrophobicContact CG2-CD1 4.4Å; V117-N147 HydrophobicContact CG1-CB 3.96Å; V117-N147 HydrophobicContact CG2-CB 3.74Å; V117-N147 VanDerWaalsContact CG2-O 3.27Å; V117-N147 WeakPolarHBondContact CG2-O 3.45Å; V117-K149 WeakPolarHBondContact O-CE 3.13Å; V117-K149 PolarHBondContact O-NZ 3.09Å; V117-L152 HydrophobicContact CG2-CD2 3.73Å; V117-L154 HydrophobicContact CB-CD1 4.49Å; V117-L154 HydrophobicContact CG2-CD1 4.39Å
118E96.3Very high96.1Very high143 Ų14337.7 Ų37.767%0.66819%0.19SC*.Hα-helixtrans-63.1-49.6177-177.2179.5179.100112R114 Q115 I116 K149R114-E118 WeakPolarHBondContact O-CB 3.44Å; R114-E118 PolarHBondContact O-N 2.87Å; R114-E118 VanDerWaalsContact O-N 3.08Å; Q115-E118 PolarHBondContact O-N 3.37Å; I116-E118 VanDerWaalsContact C-N 3.28Å; I116-E118 PolarHBondContact O-N 3.31Å; E118-K149 PolarHBondContact O-NZ 3.3Å
119V96.6Very high96Very high33 Ų3333.5 Ų33.520%0.217%0.171CC..Hα-helixtrans-96.6-7.7-171.6-530000114.5P76 I79 Q115 I116P76-V119 HydrophobicContact CB-CG1 4.14Å; I79-V119 HydrophobicContact CB-CG2 3.7Å; I79-V119 HydrophobicContact CD1-CG2 4.17Å; I79-V119 HydrophobicContact CG2-CG2 3.45Å; I79-V119 VanDerWaalsContact CG2-CG2 3.45Å; Q115-V119 WeakPolarHBondContact O-CG2 3.47Å; Q115-V119 PolarHBondContact O-N 2.86Å; Q115-V119 VanDerWaalsContact O-N 3.15Å; I116-V119 PolarHBondContact O-N 2.95Å
120S96.2Very high95Very high0 Ų034 Ų340%018%0.175CC..  trans-87.7145.1-179.8-61.90000112.6I116 K124 K149I116-S120 WeakPolarHBondContact O-CB 3.47Å; I116-S120 PolarHBondContact O-N 3.34Å; I116-S120 PolarHBondContact O-OG 2.81Å; S120-K124 WeakPolarHBondContact OG-CD 3.24Å; S120-K124 WeakPolarHBondContact OG-CE 3.4Å; S120-K149 PolarHBondContact O-NZ 3.34Å
121D93.3Very high93.6Very high86 Ų8631 Ų3146%0.4616%0.162SC..  trans-135.5162.5165-63.1-56.4000108.2K149D121-K149 IonicContact OD1-NZ 3.93Å
122G94.9Very high92.1Very high31 Ų3128 Ų2832%0.3214%0.141SC..SBendtrans74-155.8176.700000113.8S151 L152 N153G122-S151 CarbonylContact C-O 3.45Å; G122-S151 WeakPolarHBondContact CA-O 3.31Å; G122-S151 PolarHBondContact N-O 3.11Å; G122-S151 VanDerWaalsContact N-O 3.09Å; G122-L152 WeakPolarHBondContact O-CA 3.48Å; G122-N153 PolarHBondContact O-N 2.92Å
123Y97.2Very high90.8Very high61 Ų6128.5 Ų28.524%0.23914%0.144CC..EExtended strand (participates in β ladder)trans-95.4127.9180-179.9-90.2000111F2 I125 N153 Q155F2-Y123 HydrophobicContact CD1-CD1 4.49Å; F2-Y123 AromaticContact CD1-CE1 3.86Å; F2-Y123 HydrophobicContact CD1-CE1 3.86Å; F2-Y123 AromaticContact CD2-CD1 3.87Å; F2-Y123 HydrophobicContact CD2-CD1 3.87Å; F2-Y123 AromaticContact CD2-CE1 3.91Å; F2-Y123 HydrophobicContact CD2-CE1 3.91Å; F2-Y123 HydrophobicContact CE1-CD1 4.11Å; F2-Y123 AromaticContact CE1-CE1 3.72Å; F2-Y123 HydrophobicContact CE1-CE1 3.72Å; F2-Y123 AromaticContact CE2-CD1 3.43Å; F2-Y123 HydrophobicContact CE2-CD1 3.43Å; F2-Y123 VanDerWaalsContact CE2-CD1 3.43Å; F2-Y123 AromaticContact CE2-CE1 3.79Å; F2-Y123 HydrophobicContact CE2-CE1 3.79Å; F2-Y123 HydrophobicContact CG-CD1 4.38Å; F2-Y123 AromaticContact CG-CE1 3.94Å; F2-Y123 HydrophobicContact CG-CE1 3.94Å; F2-Y123 AromaticContact CZ-CD1 3.55Å; F2-Y123 HydrophobicContact CZ-CD1 3.55Å; F2-Y123 AromaticContact CZ-CE1 3.67Å; F2-Y123 HydrophobicContact CZ-CE1 3.67Å; Y123-I125 HydrophobicContact CE1-CD1 4.31Å; Y123-I125 HydrophobicContact CE1-CG1 3.88Å; Y123-N153 WeakPolarHBondContact CA-O 3.42Å; Y123-N153 HydrophobicContact CD2-CB 4.03Å; Y123-Q155 HydrophobicContact CE2-CG 3.76Å
124K98Very high89.4Confident8 Ų829.1 Ų29.14%0.03515%0.147CC..EExtended strand (participates in β ladder)trans-141.3151.6172.2-57.3177.9-177-79.60111.3I79 K80 A82 D83 S120 N153 L154 Q155I79-K124 WeakPolarHBondContact O-CE 3.1Å; I79-K124 PolarHBondContact O-NZ 3.12Å; K80-K124 PolarHBondContact O-NZ 3.09Å; A82-K124 PolarHBondContact O-NZ 2.75Å; D83-K124 WeakPolarHBondContact O-CA 3.37Å; S120-K124 WeakPolarHBondContact OG-CD 3.24Å; S120-K124 WeakPolarHBondContact OG-CE 3.4Å; K124-N153 PolarHBondContact N-O 2.96Å; K124-L154 HydrophobicContact CB-CD2 3.73Å; K124-L154 HydrophobicContact CD-CD2 4.39Å; K124-L154 HydrophobicContact CG-CD2 4.36Å; K124-L154 WeakPolarHBondContact O-CA 3.29Å; K124-Q155 PolarHBondContact O-N 3.43Å
125I98.5Very high88.6Confident0 Ų029.2 Ų29.20%015%0.148CC..EExtended strand (participates in β ladder)trans-101.7128.1170.3-56.5170.4000107.6F2 I4 D83 L84 V85 Y123 L157 A191 A194F2-I125 HydrophobicContact CD1-CD1 3.99Å; F2-I125 HydrophobicContact CE1-CD1 3.81Å; F2-I125 HydrophobicContact CE1-CG1 4.33Å; I4-I125 HydrophobicContact CD1-CD1 4.21Å; D83-I125 PolarHBondContact O-N 2.86Å; L84-I125 CarbonylContact C-O 3.57Å; L84-I125 VanDerWaalsContact CA-O 3.28Å; L84-I125 WeakPolarHBondContact CA-O 3.41Å; L84-I125 HydrophobicContact CD1-CB 3.66Å; L84-I125 HydrophobicContact CD1-CG2 3.5Å; V85-I125 PolarHBondContact N-O 3.05Å; Y123-I125 HydrophobicContact CE1-CD1 4.31Å; Y123-I125 HydrophobicContact CE1-CG1 3.88Å; I125-L157 HydrophobicContact CG2-CD1 3.55Å; I125-L157 HydrophobicContact CG2-CG 3.86Å; I125-A191 HydrophobicContact CD1-CB 3.95Å; I125-A191 HydrophobicContact CG1-CB 3.98Å; I125-A191 HydrophobicContact CG2-CB 4.23Å; I125-A194 HydrophobicContact CD1-CB 3.75Å
126V98.3Very high88.1Confident0 Ų026.8 Ų26.80%014%0.136CC..EExtended strand (participates in β ladder)trans-112.1119.6176.3-178.20000107.7V85 I87 I116 F144 L154 Q155 V156 L157V85-V126 CarbonylContact O-C 3.48Å; V85-V126 WeakPolarHBondContact O-CA 3.42Å; I87-V126 HydrophobicContact CD1-CG1 3.7Å; I87-V126 HydrophobicContact CG1-CG1 4.12Å; I116-V126 HydrophobicContact CD1-CG1 3.96Å; I116-V126 HydrophobicContact CG2-CG2 3.99Å; V126-F144 HydrophobicContact CB-CE2 3.96Å; V126-F144 HydrophobicContact CB-CZ 4.24Å; V126-F144 HydrophobicContact CG1-CE2 4.19Å; V126-F144 HydrophobicContact CG1-CZ 4.09Å; V126-F144 HydrophobicContact CG2-CE2 3.77Å; V126-F144 HydrophobicContact CG2-CZ 3.87Å; V126-L154 HydrophobicContact CG2-CD2 4.34Å; V126-Q155 PolarHBondContact N-O 3.49Å; V126-V156 CarbonylContact O-C 3.53Å; V126-V156 WeakPolarHBondContact O-CA 3.31Å; V126-L157 PolarHBondContact O-N 3.17Å
127T97.8Very high87.6Confident0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-118.5118.2-174.7-58.40000110.7L84 V85 F86 I87 L157 N159 L195L84-T127 VanDerWaalsContact CD1-OG1 3.28Å; L84-T127 WeakPolarHBondContact CD1-OG1 3.35Å; V85-T127 PolarHBondContact O-N 2.73Å; F86-T127 CarbonylContact C-O 3.47Å; F86-T127 VanDerWaalsContact CA-O 3.29Å; F86-T127 WeakPolarHBondContact CA-O 3.35Å; F86-T127 HydrophobicContact CD1-CG2 3.79Å; F86-T127 HydrophobicContact CE1-CG2 3.58Å; I87-T127 PolarHBondContact N-O 2.79Å; T127-L157 WeakPolarHBondContact CA-O 3.41Å; T127-L157 HydrophobicContact CG2-CB 4.09Å; T127-N159 HydrophobicContact CG2-CB 3.34Å; T127-L195 HydrophobicContact CG2-CD2 4Å
128E93.9Very high87.3Confident3 Ų329.9 Ų29.91%0.01415%0.151CC..EExtended strand (participates in β ladder)trans-70.9124168.9-176.7-71.111500108.4S130 V132 I140 L157 S158 N159E128-S130 PolarHBondContact OE1-N 3.32Å; E128-V132 HydrophobicContact CG-CB 4.34Å; E128-V132 HydrophobicContact CG-CG2 3.96Å; E128-V132 WeakPolarHBondContact OE1-CG2 3.35Å; E128-I140 HydrophobicContact CB-CD1 4.34Å; E128-L157 PolarHBondContact N-O 3.46Å; E128-S158 PolarHBondContact OE2-OG 3.41Å; E128-N159 PolarHBondContact O-N 3.39Å
129K89.6Confident87.1Confident5 Ų524.8 Ų24.82%0.02213%0.131CC..  trans-116.8-20.9-174.2-177.876.1-157.51780113V15 T19 F86 I87 S88 N159 E161 Y199V15-K129 HydrophobicContact CG1-CG 3.74Å; T19-K129 HydrophobicContact CG2-CD 4.28Å; F86-K129 HydrophobicContact CD1-CB 3.95Å; F86-K129 HydrophobicContact CD1-CD 4.15Å; F86-K129 HydrophobicContact CD1-CG 4.33Å; F86-K129 HydrophobicContact CE1-CD 4.07Å; I87-K129 PolarHBondContact O-N 3.24Å; I87-K129 VanDerWaalsContact O-N 3.08Å; S88-K129 WeakPolarHBondContact OG-CB 3.37Å; K129-N159 WeakPolarHBondContact CA-O 3.47Å; K129-N159 WeakPolarHBondContact CD-O 3.36Å; K129-N159 PolarHBondContact NZ-OD1 3.4Å; K129-E161 WeakPolarHBondContact CE-OE2 3.36Å; K129-E161 IonicContact NZ-OE2 3.25Å; K129-E161 PolarHBondContact NZ-OE2 3.42Å; K129-E161 PolarHBondContact O-N 3.12Å; K129-Y199 PolarHBondContact NZ-OH 3.34Å; K129-Y199 VanDerWaalsContact NZ-OH 3.11Å
130S72.8Confident87Confident10 Ų1023.2 Ų23.27%0.0712%0.122CC..SBendtrans-81.6175.3-171.654.40000112.5V89 E128 V132V89-S130 WeakPolarHBondContact O-CB 3.44Å; V89-S130 PolarHBondContact O-OG 3.11Å; V89-S130 VanDerWaalsContact O-OG 3.12Å; E128-S130 PolarHBondContact OE1-N 3.32Å; S130-V132 PolarHBondContact O-N 3.4Å; S130-V132 VanDerWaalsContact O-N 3.12Å; S130-V132 WeakPolarHBondContact OG-CG2 3.49Å
131T66.6Low86.9Confident16 Ų1626.4 Ų26.410%0.09813%0.134CC..  trans-82.390173.2-43.30000108.5T91 K220 K279 D280T91-T131 PolarHBondContact OG1-O 3.02Å; T131-K220 HydrophobicContact CG2-CG 4.12Å; T131-K279 PolarHBondContact O-NZ 3.1Å; T131-D280 VanDerWaalsContact CG2-OD1 3.24Å; T131-D280 WeakPolarHBondContact CG2-OD1 3.4Å; T131-D280 VanDerWaalsContact CG2-OD2 3.28Å; T131-D280 WeakPolarHBondContact CG2-OD2 3.39Å
132V64Low87Confident6 Ų630.9 Ų30.94%0.03614%0.144CC..  trans-110145.3-170.5-169.60000110.3T91 L106 I109 E128 S130 A136T91-V132 HydrophobicContact CG2-CG1 4.2Å; T91-V132 HydrophobicContact CG2-CG2 4.18Å; L106-V132 HydrophobicContact CD2-CG1 3.93Å; I109-V132 HydrophobicContact CD1-CG2 4.24Å; E128-V132 HydrophobicContact CG-CB 4.34Å; E128-V132 HydrophobicContact CG-CG2 3.96Å; E128-V132 WeakPolarHBondContact OE1-CG2 3.35Å; S130-V132 PolarHBondContact O-N 3.4Å; S130-V132 VanDerWaalsContact O-N 3.12Å; S130-V132 WeakPolarHBondContact OG-CG2 3.49Å; V132-A136 HydrophobicContact CB-CB 4.09Å; V132-A136 HydrophobicContact CG1-CB 2.98Å
133P67.1Low87.1Confident20 Ų2030 Ų3013%0.1313%0.132CC..  trans-56.5154.7172.428.1-42000111.2A104 L106 R135 A136A104-P133 HydrophobicContact CB-CB 4.43Å; A104-P133 HydrophobicContact CB-CG 3.81Å; L106-P133 HydrophobicContact CD2-CG 3.73Å; L106-P133 HydrophobicContact CG-CG 4.43Å; P133-R135 PolarHBondContact O-N 3.11Å; P133-A136 PolarHBondContact O-N 2.89Å
134V68.4Low87Confident12 Ų1227.6 Ų27.67%0.07312%0.123CC..THydrogen-bonded Turntrans-52.7133.4166.5-169.70000108.9W214 E217 L218 L221 L287V134-W214 HydrophobicContact CB-CZ3 4.4Å; V134-W214 HydrophobicContact CG1-CD2 4.06Å; V134-W214 HydrophobicContact CG1-CE3 3.09Å; V134-W214 HydrophobicContact CG1-CH2 4.01Å; V134-W214 HydrophobicContact CG1-CZ3 3.07Å; V134-E217 WeakPolarHBondContact CA-OE2 3.33Å; V134-L218 HydrophobicContact CG2-CB 4.31Å; V134-L218 HydrophobicContact CG2-CD1 4.21Å; V134-L221 HydrophobicContact CG2-CD1 3.62Å; V134-L287 HydrophobicContact CB-CD1 4.43Å; V134-L287 HydrophobicContact CB-CD2 3.69Å; V134-L287 HydrophobicContact CG1-CD2 4.36Å; V134-L287 HydrophobicContact CG2-CD2 3.42Å; V134-L287 VanDerWaalsContact CG2-CD2 3.42Å
135R80.9Confident86.9Confident121 Ų12132.3 Ų32.346%0.45715%0.148SC..THydrogen-bonded Turntrans94.28.2-178.2-52.8-176.472.8-177.51.5117.4P133 E138 S139 W214 E217P133-R135 PolarHBondContact O-N 3.11Å; R135-E138 HydrophobicContact CB-CB 4.42Å; R135-E138 WeakPolarHBondContact CG-OE2 3.43Å; R135-E138 IonicContact CZ-OE1 3.44Å; R135-E138 IonicContact CZ-OE2 2.69Å; R135-E138 IonicContact NE-OE1 2.98Å; R135-E138 IonicContact NE-OE2 3.01Å; R135-E138 PolarHBondContact NE-OE2 3.23Å; R135-E138 IonicContact NH2-OE1 3.98Å; R135-E138 PolarHBondContact NH2-OE1 2.89Å; R135-E138 IonicContact NH2-OE2 2.65Å; R135-E138 PolarHBondContact NH2-OE2 2.86Å; R135-S139 PolarHBondContact O-N 3.41Å; R135-S139 PolarHBondContact O-OG 3.22Å; R135-W214 HydrophobicContact CG-CH2 3.18Å; R135-W214 HydrophobicContact CG-CZ2 3.52Å; R135-W214 HydrophobicContact CG-CZ3 3.92Å; R135-E217 PolarHBondContact N-OE2 3.49Å
136A84.9Confident86.8Confident0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-74.6-40.5175.700000113.4L106 V132 P133 E138 S139 I140 E217L106-A136 HydrophobicContact CD2-CB 4.21Å; V132-A136 HydrophobicContact CB-CB 4.09Å; V132-A136 HydrophobicContact CG1-CB 2.98Å; P133-A136 PolarHBondContact O-N 2.89Å; A136-E138 PolarHBondContact O-N 3.1Å; A136-S139 WeakPolarHBondContact O-CA 3.2Å; A136-S139 WeakPolarHBondContact O-CB 3.46Å; A136-S139 PolarHBondContact O-N 3.42Å; A136-I140 WeakPolarHBondContact O-CG1 3.43Å; A136-I140 PolarHBondContact O-N 2.99Å; A136-E217 PolarHBondContact N-OE1 2.85Å
137A88.1Confident86.7Confident2 Ų239.3 Ų39.32%0.01720%0.197CC..Hα-helixtrans-62.1-34.2172.800000111.9I140 R141 V156 T213 E217A137-I140 PolarHBondContact O-N 2.96Å; A137-R141 VanDerWaalsContact O-CB 3.28Å; A137-R141 WeakPolarHBondContact O-CB 3.35Å; A137-R141 PolarHBondContact O-N 3.1Å; A137-V156 HydrophobicContact CB-CG1 3.9Å; A137-T213 HydrophobicContact CB-CG2 3.22Å; A137-E217 VanDerWaalsContact CB-OE1 3.28Å; A137-E217 WeakPolarHBondContact CB-OE1 3.41Å; A137-E217 PolarHBondContact N-OE1 3.29Å
138E90.2Very high86.5Confident70 Ų7044.3 Ų44.333%0.32723%0.227SC..Hα-helixtrans-62.7-42.3170.8-171.2-167.7161.200111.2R135 A136 R141 R142 W214R135-E138 HydrophobicContact CB-CB 4.42Å; R135-E138 WeakPolarHBondContact CG-OE2 3.43Å; R135-E138 IonicContact CZ-OE1 3.44Å; R135-E138 IonicContact CZ-OE2 2.69Å; R135-E138 IonicContact NE-OE1 2.98Å; R135-E138 IonicContact NE-OE2 3.01Å; R135-E138 PolarHBondContact NE-OE2 3.23Å; R135-E138 IonicContact NH2-OE1 3.98Å; R135-E138 PolarHBondContact NH2-OE1 2.89Å; R135-E138 IonicContact NH2-OE2 2.65Å; R135-E138 PolarHBondContact NH2-OE2 2.86Å; A136-E138 PolarHBondContact O-N 3.1Å; E138-R141 PolarHBondContact O-N 2.81Å; E138-R142 WeakPolarHBondContact O-CB 3.41Å; E138-R142 PolarHBondContact O-N 3.45Å; E138-W214 WeakPolarHBondContact OE2-CZ2 3.18Å
139S91.8Very high86.4Confident37 Ų3747.3 Ų47.326%0.25924%0.24SC..Hα-helixtrans-64.4-43.7177.4-59.90000112.1R135 A136 R142 I143R135-S139 PolarHBondContact O-N 3.41Å; R135-S139 PolarHBondContact O-OG 3.22Å; A136-S139 WeakPolarHBondContact O-CA 3.2Å; A136-S139 WeakPolarHBondContact O-CB 3.46Å; A136-S139 PolarHBondContact O-N 3.42Å; S139-R142 PolarHBondContact O-N 2.85Å; S139-I143 WeakPolarHBondContact O-CG1 3.42Å; S139-I143 PolarHBondContact O-N 3.36Å
140I94.1Very high86.4Confident0 Ų054.2 Ų54.20%029%0.285CS..Hα-helixtrans-59.9-49.3174.9-66.4165.1000109.8I87 I109 A113 E128 A136 A137 R142 I143 F144 V156I87-I140 HydrophobicContact CD1-CD1 4.03Å; I109-I140 HydrophobicContact CG2-CD1 3.76Å; I109-I140 HydrophobicContact CG2-CG1 3.6Å; A113-I140 HydrophobicContact CB-CG1 4.34Å; A113-I140 HydrophobicContact CB-CG2 4.22Å; E128-I140 HydrophobicContact CB-CD1 4.34Å; A136-I140 WeakPolarHBondContact O-CG1 3.43Å; A136-I140 PolarHBondContact O-N 2.99Å; A137-I140 PolarHBondContact O-N 2.96Å; I140-R142 PolarHBondContact O-N 3.08Å; I140-I143 WeakPolarHBondContact O-CB 3.4Å; I140-I143 PolarHBondContact O-N 3.38Å; I140-I143 VanDerWaalsContact O-N 3.12Å; I140-F144 HydrophobicContact CG2-CD2 3.89Å; I140-F144 HydrophobicContact CG2-CE1 4.12Å; I140-F144 HydrophobicContact CG2-CE2 3.34Å; I140-F144 HydrophobicContact CG2-CG 4.49Å; I140-F144 HydrophobicContact CG2-CZ 3.46Å; I140-F144 VanDerWaalsContact CG2-CZ 3.46Å; I140-F144 WeakPolarHBondContact O-CG 3.38Å; I140-F144 PolarHBondContact O-N 3.44Å; I140-V156 HydrophobicContact CB-CG1 4.37Å; I140-V156 HydrophobicContact CG2-CG1 4.14Å; I140-V156 HydrophobicContact CG2-CG2 3.88Å
141R94.6Very high87.2Confident66 Ų6657.3 Ų57.325%0.24931%0.307CS..Hα-helixtrans-58.2-47178.5-178.9177-58-94.8-6.5112.2A137 E138 I143 F144 D145 V156 D183A137-R141 VanDerWaalsContact O-CB 3.28Å; A137-R141 WeakPolarHBondContact O-CB 3.35Å; A137-R141 PolarHBondContact O-N 3.1Å; E138-R141 PolarHBondContact O-N 2.81Å; R141-I143 PolarHBondContact O-N 3.1Å; R141-F144 PolarHBondContact O-N 2.99Å; R141-D145 WeakPolarHBondContact CG-OD2 3.09Å; R141-D145 WeakPolarHBondContact O-CB 3.43Å; R141-D145 VanDerWaalsContact O-CG 3.26Å; R141-D145 PolarHBondContact O-N 2.92Å; R141-V156 HydrophobicContact CB-CG2 4.43Å; R141-D183 IonicContact CZ-OD1 3.81Å; R141-D183 IonicContact CZ-OD2 3.99Å; R141-D183 IonicContact NH1-OD1 3.91Å; R141-D183 IonicContact NH1-OD2 3.25Å; R141-D183 PolarHBondContact NH1-OD2 3.27Å; R141-D183 IonicContact NH2-OD1 3.12Å; R141-D183 PolarHBondContact NH2-OD1 3.04Å; R141-D183 IonicContact NH2-OD2 2.82Å; R141-D183 PolarHBondContact NH2-OD2 3.48Å
142R95.4Very high88.6Confident181 Ų18157.8 Ų57.868%0.68331%0.309SS*.Hα-helixtrans-58.4-35177.4-168.117970.2140.52112.4E138 S139 I140 A146E138-R142 WeakPolarHBondContact O-CB 3.41Å; E138-R142 PolarHBondContact O-N 3.45Å; S139-R142 PolarHBondContact O-N 2.85Å; I140-R142 PolarHBondContact O-N 3.08Å; R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.49Å; R142-A146 PolarHBondContact O-N 3.18Å
143I96.6Very high90.1Very high13 Ų1359.7 Ų59.77%0.06732%0.319CS..Hα-helixtrans-69.4-44.3175.1-67.6162.3000110.4E110 A113 R114 S139 I140 R141 A146 N147E110-I143 HydrophobicContact CB-CD1 4.07Å; E110-I143 HydrophobicContact CG-CD1 3.76Å; A113-I143 HydrophobicContact CB-CB 4.33Å; A113-I143 HydrophobicContact CB-CD1 3.83Å; A113-I143 HydrophobicContact CB-CG2 4.12Å; R114-I143 HydrophobicContact CG-CG2 3.98Å; S139-I143 WeakPolarHBondContact O-CG1 3.42Å; S139-I143 PolarHBondContact O-N 3.36Å; I140-I143 WeakPolarHBondContact O-CB 3.4Å; I140-I143 PolarHBondContact O-N 3.38Å; I140-I143 VanDerWaalsContact O-N 3.12Å; R141-I143 PolarHBondContact O-N 3.1Å; I143-A146 PolarHBondContact O-N 3.08Å; I143-N147 PolarHBondContact O-N 3.36Å; I143-N147 PolarHBondContact O-ND2 3.05Å
144F96.4Very high91.6Very high9 Ų960 Ų604%0.03932%0.319CS..Hα-helixtrans-65-46.2179.1-64.7-14.2000112.2A113 I116 V117 V126 I140 R141 A146 N147 T148 L154 V156A113-F144 HydrophobicContact CB-CE1 3.92Å; A113-F144 HydrophobicContact CB-CZ 4.4Å; A113-F144 WeakPolarHBondContact O-CE1 3.42Å; I116-F144 HydrophobicContact CB-CE1 4.36Å; I116-F144 HydrophobicContact CB-CZ 4.41Å; I116-F144 HydrophobicContact CG2-CE1 4.24Å; I116-F144 HydrophobicContact CG2-CZ 4.03Å; V117-F144 HydrophobicContact CB-CD1 4.02Å; V117-F144 HydrophobicContact CB-CE1 4.28Å; V117-F144 HydrophobicContact CG2-CD1 4.4Å; V126-F144 HydrophobicContact CB-CE2 3.96Å; V126-F144 HydrophobicContact CB-CZ 4.24Å; V126-F144 HydrophobicContact CG1-CE2 4.19Å; V126-F144 HydrophobicContact CG1-CZ 4.09Å; V126-F144 HydrophobicContact CG2-CE2 3.77Å; V126-F144 HydrophobicContact CG2-CZ 3.87Å; I140-F144 HydrophobicContact CG2-CD2 3.89Å; I140-F144 HydrophobicContact CG2-CE1 4.12Å; I140-F144 HydrophobicContact CG2-CE2 3.34Å; I140-F144 HydrophobicContact CG2-CG 4.49Å; I140-F144 HydrophobicContact CG2-CZ 3.46Å; I140-F144 VanDerWaalsContact CG2-CZ 3.46Å; I140-F144 WeakPolarHBondContact O-CG 3.38Å; I140-F144 PolarHBondContact O-N 3.44Å; R141-F144 PolarHBondContact O-N 2.99Å; F144-A146 PolarHBondContact O-N 2.89Å; F144-N147 CarbonylContact O-C 3.6Å; F144-N147 PolarHBondContact O-N 2.79Å; F144-T148 PolarHBondContact O-N 2.88Å; F144-L154 HydrophobicContact CB-CD1 4.35Å; F144-L154 HydrophobicContact CD1-CD1 3.74Å; F144-L154 HydrophobicContact CD2-CB 3.67Å; F144-L154 HydrophobicContact CD2-CD1 3.77Å; F144-L154 HydrophobicContact CD2-CG 4.37Å; F144-L154 HydrophobicContact CE1-CD1 3.84Å; F144-L154 HydrophobicContact CE2-CB 3.96Å; F144-L154 HydrophobicContact CE2-CD1 3.88Å; F144-L154 HydrophobicContact CG-CB 4.27Å; F144-L154 HydrophobicContact CG-CD1 3.7Å; F144-L154 HydrophobicContact CZ-CD1 3.92Å; F144-V156 HydrophobicContact CD2-CG2 3.69Å; F144-V156 HydrophobicContact CE2-CG2 3.74Å
145D95Very high93Very high107 Ų10760 Ų6057%0.57232%0.318SS*.Hα-helixtrans-62.5-32.3179.3-65.7-16.6000112.2R141 N147R141-D145 WeakPolarHBondContact CG-OD2 3.09Å; R141-D145 WeakPolarHBondContact O-CB 3.43Å; R141-D145 VanDerWaalsContact O-CG 3.26Å; R141-D145 PolarHBondContact O-N 2.92Å; D145-N147 VanDerWaalsContact C-N 3.34Å
146A96.6Very high93.8Very high77 Ų7754.3 Ų54.364%0.63630%0.297SS*.Hα-helixtrans-79.4-13.7177.600000113.9R142 I143 F144R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.49Å; R142-A146 PolarHBondContact O-N 3.18Å; I143-A146 PolarHBondContact O-N 3.08Å; F144-A146 PolarHBondContact O-N 2.89Å
147N95.7Very high94.4Very high71 Ų7154.4 Ų54.438%0.3830%0.298SS..THydrogen-bonded Turntrans-129.535.2-173.1-63.6-87.6000111.8V117 I143 F144 D145V117-N147 HydrophobicContact CG1-CB 3.96Å; V117-N147 HydrophobicContact CG2-CB 3.74Å; V117-N147 VanDerWaalsContact CG2-O 3.27Å; V117-N147 WeakPolarHBondContact CG2-O 3.45Å; I143-N147 PolarHBondContact O-N 3.36Å; I143-N147 PolarHBondContact O-ND2 3.05Å; F144-N147 CarbonylContact O-C 3.6Å; F144-N147 PolarHBondContact O-N 2.79Å; D145-N147 VanDerWaalsContact C-N 3.34Å
148T93Very high94.8Very high105 Ų10554.3 Ų54.364%0.64430%0.297SS*.  trans-63.4145.5-179.456.80000112.4F144F144-T148 PolarHBondContact O-N 2.88Å
149K93.1Very high95.1Very high66 Ų6651 Ų5129%0.28728%0.282SS..  trans-120.3154.3170.9-53.5174.4-173.7168.20109.6V117 E118 S120 D121 S151 L152V117-K149 WeakPolarHBondContact O-CE 3.13Å; V117-K149 PolarHBondContact O-NZ 3.09Å; E118-K149 PolarHBondContact O-NZ 3.3Å; S120-K149 PolarHBondContact O-NZ 3.34Å; D121-K149 IonicContact OD1-NZ 3.93Å; K149-S151 PolarHBondContact O-N 3.42Å; K149-L152 HydrophobicContact CB-CB 3.82Å; K149-L152 HydrophobicContact CB-CD2 4.42Å; K149-L152 HydrophobicContact CD-CD2 4.21Å; K149-L152 HydrophobicContact CG-CB 4.45Å; K149-L152 HydrophobicContact CG-CD2 4.18Å; K149-L152 PolarHBondContact O-N 3.42Å
150P89.2Confident95.2Very high149 Ų14949.4 Ų49.497%0.96827%0.271SS*.THydrogen-bonded Turntrans-54.8-29.9-174.3-28.935.7000116.1
151S89.9Confident95Very high76 Ų7650.2 Ų50.253%0.53127%0.274SS..THydrogen-bonded Turntrans-1073.1-179560000113.9G122 K149G122-S151 CarbonylContact C-O 3.45Å; G122-S151 WeakPolarHBondContact CA-O 3.31Å; G122-S151 PolarHBondContact N-O 3.11Å; G122-S151 VanDerWaalsContact N-O 3.09Å; K149-S151 PolarHBondContact O-N 3.42Å
152L95.4Very high94.8Very high25 Ų2549.3 Ų49.313%0.13127%0.272CS..  trans-97.2123.4-171.6-177.864.6000111.1V117 G122 K149 L154V117-L152 HydrophobicContact CG2-CD2 3.73Å; G122-L152 WeakPolarHBondContact O-CA 3.48Å; K149-L152 HydrophobicContact CB-CB 3.82Å; K149-L152 HydrophobicContact CB-CD2 4.42Å; K149-L152 HydrophobicContact CD-CD2 4.21Å; K149-L152 HydrophobicContact CG-CB 4.45Å; K149-L152 HydrophobicContact CG-CD2 4.18Å; K149-L152 PolarHBondContact O-N 3.42Å; L152-L154 HydrophobicContact CD1-CD1 4.19Å; L152-L154 HydrophobicContact CD1-CD2 3.77Å; L152-L154 HydrophobicContact CD1-CG 3.78Å; L152-L154 HydrophobicContact CD2-CD1 4.08Å; L152-L154 HydrophobicContact CD2-CG 4.35Å; L152-L154 HydrophobicContact CG-CD1 4.25Å; L152-L154 HydrophobicContact CG-CG 3.96Å
153N95.9Very high94.3Very high47 Ų4742.1 Ų42.125%0.25125%0.247SC..EExtended strand (participates in β ladder)trans-129.3111.1171.4-176.1-12.8000109.4G122 Y123 K124 Q155 E187G122-N153 PolarHBondContact O-N 2.92Å; Y123-N153 WeakPolarHBondContact CA-O 3.42Å; Y123-N153 HydrophobicContact CD2-CB 4.03Å; K124-N153 PolarHBondContact N-O 2.96Å; N153-Q155 PolarHBondContact OD1-NE2 2.82Å; N153-E187 PolarHBondContact ND2-OE2 2.92Å
154L97.6Very high93.7Very high25 Ų2543.5 Ų43.513%0.13126%0.261CS..EExtended strand (participates in β ladder)trans-113118.5-179.6-62.6179000110I116 V117 K124 V126 F144 L152I116-L154 HydrophobicContact CG2-CD1 4.3Å; V117-L154 HydrophobicContact CB-CD1 4.49Å; V117-L154 HydrophobicContact CG2-CD1 4.39Å; K124-L154 HydrophobicContact CB-CD2 3.73Å; K124-L154 HydrophobicContact CD-CD2 4.39Å; K124-L154 HydrophobicContact CG-CD2 4.36Å; K124-L154 WeakPolarHBondContact O-CA 3.29Å; V126-L154 HydrophobicContact CG2-CD2 4.34Å; F144-L154 HydrophobicContact CB-CD1 4.35Å; F144-L154 HydrophobicContact CD1-CD1 3.74Å; F144-L154 HydrophobicContact CD2-CB 3.67Å; F144-L154 HydrophobicContact CD2-CD1 3.77Å; F144-L154 HydrophobicContact CD2-CG 4.37Å; F144-L154 HydrophobicContact CE1-CD1 3.84Å; F144-L154 HydrophobicContact CE2-CB 3.96Å; F144-L154 HydrophobicContact CE2-CD1 3.88Å; F144-L154 HydrophobicContact CG-CB 4.27Å; F144-L154 HydrophobicContact CG-CD1 3.7Å; F144-L154 HydrophobicContact CZ-CD1 3.92Å; L152-L154 HydrophobicContact CD1-CD1 4.19Å; L152-L154 HydrophobicContact CD1-CD2 3.77Å; L152-L154 HydrophobicContact CD1-CG 3.78Å; L152-L154 HydrophobicContact CD2-CD1 4.08Å; L152-L154 HydrophobicContact CD2-CG 4.35Å; L152-L154 HydrophobicContact CG-CD1 4.25Å; L152-L154 HydrophobicContact CG-CG 3.96Å
155Q97.9Very high93Very high12 Ų1244.1 Ų44.16%0.05626%0.264CS..EExtended strand (participates in β ladder)trans-96.8131.5173.5-61.4-61.4-54.900109.8Y123 K124 V126 N153 E187 A191Y123-Q155 HydrophobicContact CE2-CG 3.76Å; K124-Q155 PolarHBondContact O-N 3.43Å; V126-Q155 PolarHBondContact N-O 3.49Å; N153-Q155 PolarHBondContact OD1-NE2 2.82Å; Q155-E187 PolarHBondContact NE2-OE2 3.07Å; Q155-E187 VanDerWaalsContact NE2-OE2 3.1Å; Q155-A191 HydrophobicContact CB-CB 3.71Å; Q155-A191 HydrophobicContact CG-CB 4.09Å
156V97.6Very high92.3Very high3 Ų339.5 Ų39.52%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-103.1124.2-179.7-173.90000110.1V126 A137 I140 R141 F144V126-V156 CarbonylContact O-C 3.53Å; V126-V156 WeakPolarHBondContact O-CA 3.31Å; A137-V156 HydrophobicContact CB-CG1 3.9Å; I140-V156 HydrophobicContact CB-CG1 4.37Å; I140-V156 HydrophobicContact CG2-CG1 4.14Å; I140-V156 HydrophobicContact CG2-CG2 3.88Å; R141-V156 HydrophobicContact CB-CG2 4.43Å; F144-V156 HydrophobicContact CD2-CG2 3.69Å; F144-V156 HydrophobicContact CE2-CG2 3.74Å
157L97.7Very high91.9Very high1 Ų138.5 Ų38.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-116.4155172.9-57-178.3000110.7I125 V126 T127 E128 I180 G181 A191 I192 L195I125-L157 HydrophobicContact CG2-CD1 3.55Å; I125-L157 HydrophobicContact CG2-CG 3.86Å; V126-L157 PolarHBondContact O-N 3.17Å; T127-L157 WeakPolarHBondContact CA-O 3.41Å; T127-L157 HydrophobicContact CG2-CB 4.09Å; E128-L157 PolarHBondContact N-O 3.46Å; L157-I180 HydrophobicContact CD1-CG2 4.42Å; L157-G181 CarbonylContact C-O 3.53Å; L157-G181 VanDerWaalsContact CA-O 3.23Å; L157-G181 WeakPolarHBondContact CA-O 3.31Å; L157-G181 WeakPolarHBondContact CB-O 3.35Å; L157-A191 HydrophobicContact CD1-CB 4.22Å; L157-A191 HydrophobicContact CD2-CB 4.06Å; L157-A191 HydrophobicContact CG-CB 4.34Å; L157-I192 HydrophobicContact CD2-CG1 3.74Å; L157-L195 HydrophobicContact CD1-CB 4.04Å; L157-L195 HydrophobicContact CD1-CD2 3.85Å
158S96.9Very high91.6Very high0 Ų035.1 Ų35.10%021%0.209CC..EExtended strand (participates in β ladder)trans-108.5131163.5172.60000108.2E128 I180 G181 S216E128-S158 PolarHBondContact OE2-OG 3.41Å; S158-I180 CarbonylContact O-C 3.49Å; S158-I180 WeakPolarHBondContact O-CA 3.38Å; S158-G181 PolarHBondContact N-O 3.07Å; S158-G181 PolarHBondContact O-N 3.09Å; S158-S216 PolarHBondContact OG-OG 3.16Å
159N96.9Very high91.6Very high1 Ų130.7 Ų30.71%0.00518%0.182CC..  trans-138.875.9176176.6-136.6000109.6T127 E128 K129 L179 L195 Y199T127-N159 HydrophobicContact CG2-CB 3.34Å; E128-N159 PolarHBondContact O-N 3.39Å; K129-N159 WeakPolarHBondContact CA-O 3.47Å; K129-N159 WeakPolarHBondContact CD-O 3.36Å; K129-N159 PolarHBondContact NZ-OD1 3.4Å; N159-L179 WeakPolarHBondContact CA-O 3.46Å; N159-L179 PolarHBondContact ND2-O 2.97Å; N159-L195 HydrophobicContact CB-CD2 4.12Å; N159-Y199 PolarHBondContact OD1-OH 2.95Å
160P93.7Very high91.6Very high4 Ų435.7 Ų35.73%0.02620%0.199CC..  trans-61145.1-173.7-22.133000112F162 L179 S216 K220P160-F162 HydrophobicContact CB-CE2 4.35Å; P160-F162 HydrophobicContact CB-CZ 4.36Å; P160-L179 HydrophobicContact CG-CD2 4.4Å; P160-S216 WeakPolarHBondContact CD-OG 3.35Å; P160-S216 WeakPolarHBondContact CG-OG 3.27Å; P160-K220 HydrophobicContact CB-CB 3.68Å; P160-K220 HydrophobicContact CB-CD 4.07Å; P160-K220 HydrophobicContact CB-CG 3.82Å; P160-K220 HydrophobicContact CG-CB 4.01Å
161E89.8Confident91.9Very high17 Ų1730.8 Ų30.88%0.07917%0.165CC..  trans-84.9145.1175.2-175.949.2-128.900112.3V15 K129 L163 K220V15-E161 HydrophobicContact CG1-CB 3.94Å; V15-E161 HydrophobicContact CG1-CG 4.02Å; V15-E161 HydrophobicContact CG2-CG 4.4Å; K129-E161 WeakPolarHBondContact CE-OE2 3.36Å; K129-E161 IonicContact NZ-OE2 3.25Å; K129-E161 PolarHBondContact NZ-OE2 3.42Å; K129-E161 PolarHBondContact O-N 3.12Å; E161-L163 HydrophobicContact CG-CB 4.24Å; E161-L163 HydrophobicContact CG-CD2 3.46Å; E161-L163 VanDerWaalsContact CG-CD2 3.46Å; E161-L163 HydrophobicContact CG-CG 3.5Å; E161-L163 WeakPolarHBondContact OE1-CB 3.28Å; E161-L163 WeakPolarHBondContact OE1-CD2 3.2Å; E161-L163 WeakPolarHBondContact OE1-CG 3.36Å; E161-L163 PolarHBondContact OE1-N 2.86Å; E161-K220 WeakPolarHBondContact O-CD 3.44Å; E161-K220 WeakPolarHBondContact O-CE 3.44Å; E161-K220 PolarHBondContact O-NZ 3.15Å
162F90.2Very high92.2Very high47 Ų4728 Ų2821%0.20614%0.144CC..  trans-124.65.3179.2-66.1-77.8000114.5P160 L179 K220 A223P160-F162 HydrophobicContact CB-CE2 4.35Å; P160-F162 HydrophobicContact CB-CZ 4.36Å; F162-L179 HydrophobicContact CE2-CB 3.83Å; F162-L179 HydrophobicContact CE2-CD2 4.38Å; F162-L179 HydrophobicContact CZ-CB 4.34Å; F162-L179 HydrophobicContact CZ-CD2 4.06Å; F162-K220 HydrophobicContact CD1-CD 3.99Å; F162-K220 HydrophobicContact CE1-CD 3.62Å; F162-K220 HydrophobicContact CZ-CD 4.18Å; F162-A223 HydrophobicContact CE1-CB 4.45Å
163L85.3Confident92.2Very high29 Ų2930.2 Ų30.215%0.15215%0.152CC..  trans-57.7150.3173.468.486.7000112.7E161 A168 D171 L172E161-L163 HydrophobicContact CG-CB 4.24Å; E161-L163 HydrophobicContact CG-CD2 3.46Å; E161-L163 VanDerWaalsContact CG-CD2 3.46Å; E161-L163 HydrophobicContact CG-CG 3.5Å; E161-L163 WeakPolarHBondContact OE1-CB 3.28Å; E161-L163 WeakPolarHBondContact OE1-CD2 3.2Å; E161-L163 WeakPolarHBondContact OE1-CG 3.36Å; E161-L163 PolarHBondContact OE1-N 2.86Å; L163-A168 HydrophobicContact CB-CB 4.23Å; L163-A168 HydrophobicContact CD1-CB 4.08Å; L163-A168 HydrophobicContact CD2-CB 4.33Å; L163-A168 HydrophobicContact CG-CB 4.44Å; L163-D171 HydrophobicContact CB-CB 4.17Å; L163-L172 HydrophobicContact CD2-CD1 4.33Å; L163-L172 HydrophobicContact CD2-CG 4.47Å
164A84.5Confident92.2Very high43 Ų4334 Ų3436%0.35517%0.168SC..  trans-112.2138.7163.900000109.8G166 T167 A168 D171A164-G166 PolarHBondContact O-N 3.38Å; A164-T167 CarbonylContact O-C 3.58Å; A164-T167 PolarHBondContact O-N 2.91Å; A164-T167 PolarHBondContact O-OG1 3.1Å; A164-A168 PolarHBondContact O-N 3.35Å; A164-A168 VanDerWaalsContact O-N 3.15Å; A164-D171 PolarHBondContact N-OD2 3.3Å
165E80.3Confident92.1Very high22 Ų2233.6 Ų33.610%0.10317%0.167CC..THydrogen-bonded Turntrans-56.6139.9173.8-68.5174.4-139.700110.9Y14 E54 T167 F338 K339 T342 D344Y14-E165 HydrophobicContact CD1-CG 4.21Å; E54-E165 WeakPolarHBondContact OE1-CA 3.05Å; E165-T167 VanDerWaalsContact C-N 3.27Å; E165-T167 PolarHBondContact O-N 2.96Å; E165-F338 HydrophobicContact CB-CZ 4.39Å; E165-F338 WeakPolarHBondContact OE2-CE1 3.25Å; E165-K339 WeakPolarHBondContact O-CE 3.29Å; E165-K339 PolarHBondContact O-NZ 3.21Å; E165-T342 PolarHBondContact OE2-OG1 2.96Å; E165-D344 WeakPolarHBondContact OE2-CB 3.47Å
166G81.2Confident92Very high10 Ų1038.7 Ų38.710%0.10320%0.195CC..THydrogen-bonded Turntrans84.9-13.4-172.700000114.3E54 A164E54-G166 VanDerWaalsContact CD-N 3.28Å; E54-G166 PolarHBondContact OE1-N 3.46Å; E54-G166 WeakPolarHBondContact OE2-CA 3.2Å; E54-G166 PolarHBondContact OE2-N 2.9Å; A164-G166 PolarHBondContact O-N 3.38Å
167T87.4Confident92Very high56 Ų5642.3 Ų42.334%0.34421%0.208SC..SBendtrans-130.513.5174.153.90000113.1E54 A164 E165 V169 R170 D171E54-T167 PolarHBondContact OE2-N 3.45Å; A164-T167 CarbonylContact O-C 3.58Å; A164-T167 PolarHBondContact O-N 2.91Å; A164-T167 PolarHBondContact O-OG1 3.1Å; E165-T167 VanDerWaalsContact C-N 3.27Å; E165-T167 PolarHBondContact O-N 2.96Å; T167-V169 PolarHBondContact O-N 2.73Å; T167-R170 WeakPolarHBondContact O-CB 3.41Å; T167-R170 PolarHBondContact O-N 3.42Å; T167-D171 VanDerWaalsContact O-CG 3.24Å; T167-D171 PolarHBondContact O-N 3.23Å; T167-D171 PolarHBondContact OG1-OD2 3.46Å
168A89.6Confident92Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-59-43.3-164.800000113.5E54 L163 A164 R170 D171 L172E54-A168 HydrophobicContact CG-CB 4.04Å; E54-A168 WeakPolarHBondContact OE2-CB 3.39Å; E54-A168 PolarHBondContact OE2-N 3.31Å; L163-A168 HydrophobicContact CB-CB 4.23Å; L163-A168 HydrophobicContact CD1-CB 4.08Å; L163-A168 HydrophobicContact CD2-CB 4.33Å; L163-A168 HydrophobicContact CG-CB 4.44Å; A164-A168 PolarHBondContact O-N 3.35Å; A164-A168 VanDerWaalsContact O-N 3.15Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 3.49Å; A168-D171 PolarHBondContact O-N 3.21Å; A168-L172 WeakPolarHBondContact O-CB 2.92Å; A168-L172 WeakPolarHBondContact O-CD1 3.35Å; A168-L172 VanDerWaalsContact O-CG 3.25Å; A168-L172 WeakPolarHBondContact O-CG 3.08Å; A168-L172 PolarHBondContact O-N 3.39Å
169V92.9Very high92Very high11 Ų1143.3 Ų43.37%0.06721%0.214CC..Hα-helixtrans-64.1-40.8179.7177.60000111.5L57 V60 T167 K173L57-V169 HydrophobicContact CB-CG2 3.87Å; L57-V169 HydrophobicContact CD1-CG2 4.33Å; V60-V169 HydrophobicContact CG2-CG1 3.99Å; T167-V169 PolarHBondContact O-N 2.73Å; V169-K173 HydrophobicContact CG1-CD 4.23Å; V169-K173 WeakPolarHBondContact O-CB 3.45Å; V169-K173 VanDerWaalsContact O-CG 3.31Å; V169-K173 WeakPolarHBondContact O-CG 3.5Å; V169-K173 PolarHBondContact O-N 3.5Å; V169-K173 VanDerWaalsContact O-N 3.1Å
170R94.5Very high92.1Very high172 Ų17243.2 Ų43.265%0.64921%0.213SC*.Hα-helixtrans-65.6-47176.9-177.6-173.8178.7-176.50.6110.5T167 A168 L172 K173 E174T167-R170 WeakPolarHBondContact O-CB 3.41Å; T167-R170 PolarHBondContact O-N 3.42Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 3.49Å; R170-L172 PolarHBondContact O-N 2.93Å; R170-K173 PolarHBondContact O-N 2.94Å; R170-E174 PolarHBondContact O-N 3.14Å
171D94.2Very high92.2Very high46 Ų4643 Ų4325%0.24621%0.212CC..Hα-helixtrans-62.7-33.5-177.8-61.2-23.1000111.6L163 A164 T167 A168 P175L163-D171 HydrophobicContact CB-CB 4.17Å; A164-D171 PolarHBondContact N-OD2 3.3Å; T167-D171 VanDerWaalsContact O-CG 3.24Å; T167-D171 PolarHBondContact O-N 3.23Å; T167-D171 PolarHBondContact OG1-OD2 3.46Å; A168-D171 PolarHBondContact O-N 3.21Å; D171-P175 WeakPolarHBondContact O-CA 3.32Å; D171-P175 WeakPolarHBondContact O-CB 3.48Å
172L95.7Very high92.6Very high17 Ų1742.2 Ų42.29%0.08921%0.208CC..Hα-helixtrans-76-34.5176-73.2166.8000113.6P18 T19 V22 L163 A168 R170 W202P18-L172 HydrophobicContact CB-CD1 3.72Å; T19-L172 HydrophobicContact CG2-CD2 4.37Å; V22-L172 HydrophobicContact CB-CB 4.22Å; V22-L172 HydrophobicContact CG1-CB 4.15Å; V22-L172 HydrophobicContact CG2-CB 3.9Å; V22-L172 HydrophobicContact CG2-CD1 3.96Å; L163-L172 HydrophobicContact CD2-CD1 4.33Å; L163-L172 HydrophobicContact CD2-CG 4.47Å; A168-L172 WeakPolarHBondContact O-CB 2.92Å; A168-L172 WeakPolarHBondContact O-CD1 3.35Å; A168-L172 VanDerWaalsContact O-CG 3.25Å; A168-L172 WeakPolarHBondContact O-CG 3.08Å; A168-L172 PolarHBondContact O-N 3.39Å; R170-L172 PolarHBondContact O-N 2.93Å; L172-W202 PolarHBondContact O-NE1 2.88Å
173K96.1Very high92.8Very high71 Ų7141.6 Ų41.631%0.30921%0.207SC..Hα-helixtrans-78.9-37.8178.6-72.7-171.8173.7-172.10112.7V22 M26 V169 R170 P175V22-K173 HydrophobicContact CG1-CG 4.21Å; M26-K173 HydrophobicContact CE-CB 4.37Å; M26-K173 HydrophobicContact CE-CD 4.36Å; M26-K173 HydrophobicContact CE-CG 3.98Å; V169-K173 HydrophobicContact CG1-CD 4.23Å; V169-K173 WeakPolarHBondContact O-CB 3.45Å; V169-K173 VanDerWaalsContact O-CG 3.31Å; V169-K173 WeakPolarHBondContact O-CG 3.5Å; V169-K173 PolarHBondContact O-N 3.5Å; V169-K173 VanDerWaalsContact O-N 3.1Å; R170-K173 PolarHBondContact O-N 2.94Å; K173-P175 VanDerWaalsContact C-CD 3.41Å; K173-P175 WeakPolarHBondContact O-CD 3.34Å
174E95.4Very high93.3Very high126 Ų12647.5 Ų47.559%0.58923%0.234SC*.SBendtrans-127.361.3-177-64-179.4178.800110.9R170R170-E174 PolarHBondContact O-N 3.14Å
175P96.3Very high93.9Very high17 Ų1748.4 Ų48.411%0.1124%0.235CC..  trans-65.2144.8-177.927.6-34.5000110.7D171 K173 R177 V178 V203 R207D171-P175 WeakPolarHBondContact O-CA 3.32Å; D171-P175 WeakPolarHBondContact O-CB 3.48Å; K173-P175 VanDerWaalsContact C-CD 3.41Å; K173-P175 WeakPolarHBondContact O-CD 3.34Å; P175-R177 PolarHBondContact O-N 2.96Å; P175-V178 HydrophobicContact CB-CG2 4.39Å; P175-V178 HydrophobicContact CG-CG2 3.96Å; P175-V203 HydrophobicContact CG-CG1 4.06Å; P175-V203 HydrophobicContact CG-CG2 3.75Å; P175-R207 VanDerWaalsContact O-CD 3.3Å; P175-R207 WeakPolarHBondContact O-CD 3.42Å; P175-R207 PolarHBondContact O-NH1 3.4Å
176D95.8Very high94.7Very high119 Ų11952.1 Ų52.164%0.63626%0.261SS*.SBendtrans-59.2-40.9166.4-76-20.1000110
177R96.7Very high95.4Very high80 Ų8055 Ų5530%0.30227%0.272SS..  trans-158.8151.6176.172.2-64.9-177.1168.7-2.9111.5P175 R207 I209P175-R177 PolarHBondContact O-N 2.96Å; R177-R207 CarbonylContact C-O 3.57Å; R177-R207 WeakPolarHBondContact CA-O 3.43Å; R177-I209 HydrophobicContact CB-CD1 4.06Å; R177-I209 HydrophobicContact CG-CD1 4.27Å
178V97.8Very high95.9Very high10 Ų1052.3 Ų52.36%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-105.3132.3161.8175.50000107.4P175 I180 Y199 V203 R207 I208 I209P175-V178 HydrophobicContact CB-CG2 4.39Å; P175-V178 HydrophobicContact CG-CG2 3.96Å; V178-I180 HydrophobicContact CG1-CD1 4.23Å; V178-I180 HydrophobicContact CG1-CG1 4.11Å; V178-Y199 HydrophobicContact CG1-CD1 4.09Å; V178-Y199 HydrophobicContact CG1-CD2 3.75Å; V178-Y199 HydrophobicContact CG1-CE1 4.15Å; V178-Y199 HydrophobicContact CG1-CE2 3.79Å; V178-Y199 HydrophobicContact CG1-CG 3.89Å; V178-Y199 HydrophobicContact CG2-CD1 3.92Å; V178-Y199 HydrophobicContact CG2-CE1 4.22Å; V178-Y199 HydrophobicContact CG2-CG 4.31Å; V178-V203 HydrophobicContact CG2-CB 4.49Å; V178-V203 HydrophobicContact CG2-CG1 4.01Å; V178-V203 HydrophobicContact CG2-CG2 4.08Å; V178-R207 PolarHBondContact N-O 2.97Å; V178-I208 HydrophobicContact CB-CG1 4.34Å; V178-I209 PolarHBondContact O-N 2.88Å
179L97.9Very high96.3Very high11 Ų1155.7 Ų55.76%0.05827%0.272CS..EExtended strand (participates in β ladder)trans-113.4126.6179.3-175.562.5000109.8N159 P160 F162 I209 T211N159-L179 WeakPolarHBondContact CA-O 3.46Å; N159-L179 PolarHBondContact ND2-O 2.97Å; P160-L179 HydrophobicContact CG-CD2 4.4Å; F162-L179 HydrophobicContact CE2-CB 3.83Å; F162-L179 HydrophobicContact CE2-CD2 4.38Å; F162-L179 HydrophobicContact CZ-CB 4.34Å; F162-L179 HydrophobicContact CZ-CD2 4.06Å; L179-I209 WeakPolarHBondContact CA-O 3.45Å; L179-I209 HydrophobicContact CD1-CB 3.94Å; L179-I209 HydrophobicContact CD1-CG2 3.75Å; L179-T211 HydrophobicContact CD1-CG2 3.83Å
180I98.3Very high96.5Very high0 Ų061.2 Ų61.20%029%0.291CS..EExtended strand (participates in β ladder)trans-128.7117.3178.8-59.3167.9000109L157 S158 V178 I192 L195 Y199 I208 I209 T210 T211L157-I180 HydrophobicContact CD1-CG2 4.42Å; S158-I180 CarbonylContact O-C 3.49Å; S158-I180 WeakPolarHBondContact O-CA 3.38Å; V178-I180 HydrophobicContact CG1-CD1 4.23Å; V178-I180 HydrophobicContact CG1-CG1 4.11Å; I180-I192 HydrophobicContact CG2-CB 4.44Å; I180-I192 HydrophobicContact CG2-CG1 4.19Å; I180-I192 HydrophobicContact CG2-CG2 4.07Å; I180-L195 HydrophobicContact CD1-CB 4.31Å; I180-L195 HydrophobicContact CD1-CD2 4.04Å; I180-L195 HydrophobicContact CD1-CG 3.88Å; I180-L195 HydrophobicContact CG1-CD2 4.06Å; I180-L195 HydrophobicContact CG1-CG 4.45Å; I180-L195 HydrophobicContact CG2-CD2 4Å; I180-Y199 HydrophobicContact CD1-CD2 4.05Å; I180-Y199 HydrophobicContact CD1-CE2 4.39Å; I180-I208 HydrophobicContact CD1-CG2 4.06Å; I180-I209 PolarHBondContact N-O 2.84Å; I180-T210 CarbonylContact O-C 3.6Å; I180-T210 VanDerWaalsContact O-CA 3.28Å; I180-T210 WeakPolarHBondContact O-CA 3.49Å; I180-T211 PolarHBondContact O-N 3.18Å
181G97.2Very high96.7Very high0 Ų053 Ų530%026%0.26CS..EExtended strand (participates in β ladder)trans-100.1137171.700000111.7L157 S158 T211L157-G181 CarbonylContact C-O 3.53Å; L157-G181 VanDerWaalsContact CA-O 3.23Å; L157-G181 WeakPolarHBondContact CA-O 3.31Å; L157-G181 WeakPolarHBondContact CB-O 3.35Å; S158-G181 PolarHBondContact N-O 3.07Å; S158-G181 PolarHBondContact O-N 3.09Å; G181-T211 CarbonylContact C-O 3.59Å; G181-T211 VanDerWaalsContact CA-O 3.26Å; G181-T211 WeakPolarHBondContact CA-O 3.27Å
182G96.6Very high96.9Very high0 Ų051 Ų510%025%0.249CC..EExtended strand (participates in β ladder)trans-157.9-176.2169.700000111.8T211 N212 T213G182-T211 PolarHBondContact N-O 3.34Å; G182-N212 VanDerWaalsContact O-CA 3.27Å; G182-N212 WeakPolarHBondContact O-CA 3.49Å; G182-T213 WeakPolarHBondContact CA-OG1 3.3Å; G182-T213 PolarHBondContact O-N 3.13Å
183D94.9Very high97Very high33 Ų3356.4 Ų56.418%0.17627%0.272CS..  trans-75.7150.3-177.9-57.2-30.8000113.1R141 T185 Q189R141-D183 IonicContact CZ-OD1 3.81Å; R141-D183 IonicContact CZ-OD2 3.99Å; R141-D183 IonicContact NH1-OD1 3.91Å; R141-D183 IonicContact NH1-OD2 3.25Å; R141-D183 PolarHBondContact NH1-OD2 3.27Å; R141-D183 IonicContact NH2-OD1 3.12Å; R141-D183 PolarHBondContact NH2-OD1 3.04Å; R141-D183 IonicContact NH2-OD2 2.82Å; R141-D183 PolarHBondContact NH2-OD2 3.48Å; D183-T185 HydrophobicContact CB-CG2 4.11Å; D183-T185 PolarHBondContact O-N 3.03Å; D183-Q189 PolarHBondContact O-NE2 2.8Å
184E95.6Very high97.1Very high154 Ų15453.2 Ų53.272%0.7226%0.259SS*.SBendtrans-8039.8171.4-61.9-179.7-173.500111.8
185T97.4Very high97.3Very high61 Ų6147.2 Ų47.237%0.37423%0.231SC..SBendtrans-113.7158.9175.767.90000110.3D183 E187 G188 Q189D183-T185 HydrophobicContact CB-CG2 4.11Å; D183-T185 PolarHBondContact O-N 3.03Å; T185-E187 PolarHBondContact O-N 3.22Å; T185-E187 VanDerWaalsContact O-N 3.16Å; T185-G188 PolarHBondContact O-N 3.49Å; T185-G188 PolarHBondContact OG1-N 3.36Å; T185-G188 VanDerWaalsContact OG1-N 3.13Å; T185-Q189 VanDerWaalsContact O-CG 3.3Å; T185-Q189 WeakPolarHBondContact O-CG 3.46Å; T185-Q189 PolarHBondContact O-N 3.33Å
186P97.7Very high97.4Very high100 Ų10046.8 Ų46.865%0.64923%0.228SC*.Hα-helixtrans-55.1-34.2176.3-27.735.8000113.6R190P186-R190 VanDerWaalsContact O-CG 3.32Å; P186-R190 WeakPolarHBondContact O-CG 3.39Å; P186-R190 PolarHBondContact O-N 2.96Å
187E96Very high97.5Very high70 Ų7043 Ų4333%0.32721%0.214SC..Hα-helixtrans-74.3-45.8178-49.2-138.1129.200111.8N153 Q155 T185 Q189 R190 A191N153-E187 PolarHBondContact ND2-OE2 2.92Å; Q155-E187 PolarHBondContact NE2-OE2 3.07Å; Q155-E187 VanDerWaalsContact NE2-OE2 3.1Å; T185-E187 PolarHBondContact O-N 3.22Å; T185-E187 VanDerWaalsContact O-N 3.16Å; E187-Q189 VanDerWaalsContact C-N 3.32Å; E187-Q189 PolarHBondContact O-N 3.39Å; E187-R190 VanDerWaalsContact CG-NH2 3.32Å; E187-R190 WeakPolarHBondContact O-CB 3.3Å; E187-R190 PolarHBondContact O-N 2.96Å; E187-R190 VanDerWaalsContact O-N 3.07Å; E187-R190 IonicContact OE1-NH2 3.53Å; E187-R190 PolarHBondContact OE1-NH2 2.68Å; E187-A191 PolarHBondContact O-N 2.97Å
188G97.1Very high97.6Very high1 Ų139.4 Ų39.41%0.0120%0.201CC..Hα-helixtrans-58.8-43.5176.600000111.9T185 R190 A191 I192T185-G188 PolarHBondContact O-N 3.49Å; T185-G188 PolarHBondContact OG1-N 3.36Å; T185-G188 VanDerWaalsContact OG1-N 3.13Å; G188-R190 VanDerWaalsContact C-N 3.32Å; G188-R190 PolarHBondContact O-N 3.27Å; G188-A191 WeakPolarHBondContact O-CB 3.3Å; G188-A191 PolarHBondContact O-N 3Å; G188-A191 VanDerWaalsContact O-N 3.15Å; G188-I192 WeakPolarHBondContact O-CG1 3.35Å; G188-I192 PolarHBondContact O-N 3.41Å
189Q98Very high97.6Very high71 Ų7139.4 Ų39.433%0.33220%0.2SC..Hα-helixtrans-65.7-31.9176.2-64.2-57.5-53.400112.9D183 T185 E187 K193D183-Q189 PolarHBondContact O-NE2 2.8Å; T185-Q189 VanDerWaalsContact O-CG 3.3Å; T185-Q189 WeakPolarHBondContact O-CG 3.46Å; T185-Q189 PolarHBondContact O-N 3.33Å; E187-Q189 VanDerWaalsContact C-N 3.32Å; E187-Q189 PolarHBondContact O-N 3.39Å; Q189-K193 WeakPolarHBondContact O-CB 3.48Å; Q189-K193 VanDerWaalsContact O-CG 3.28Å; Q189-K193 WeakPolarHBondContact O-CG 3.23Å; Q189-K193 PolarHBondContact O-N 3.35Å; Q189-K193 VanDerWaalsContact O-N 3.1Å
190R98.1Very high97.6Very high126 Ų12643.6 Ų43.648%0.47522%0.219SC..Hα-helixtrans-67.6-41.1171.6-75.2-173.7-52.9-122.38.2111.5P186 E187 G188 K193 A194P186-R190 VanDerWaalsContact O-CG 3.32Å; P186-R190 WeakPolarHBondContact O-CG 3.39Å; P186-R190 PolarHBondContact O-N 2.96Å; E187-R190 VanDerWaalsContact CG-NH2 3.32Å; E187-R190 WeakPolarHBondContact O-CB 3.3Å; E187-R190 PolarHBondContact O-N 2.96Å; E187-R190 VanDerWaalsContact O-N 3.07Å; E187-R190 IonicContact OE1-NH2 3.53Å; E187-R190 PolarHBondContact OE1-NH2 2.68Å; G188-R190 VanDerWaalsContact C-N 3.32Å; G188-R190 PolarHBondContact O-N 3.27Å; R190-K193 PolarHBondContact O-N 3.06Å; R190-A194 PolarHBondContact O-N 2.81Å
191A98.3Very high97.6Very high0 Ų048.2 Ų48.20%024%0.24CC..Hα-helixtrans-64.9-44.4176.500000112.1I125 Q155 L157 E187 G188 K193 A194 L195I125-A191 HydrophobicContact CD1-CB 3.95Å; I125-A191 HydrophobicContact CG1-CB 3.98Å; I125-A191 HydrophobicContact CG2-CB 4.23Å; Q155-A191 HydrophobicContact CB-CB 3.71Å; Q155-A191 HydrophobicContact CG-CB 4.09Å; L157-A191 HydrophobicContact CD1-CB 4.22Å; L157-A191 HydrophobicContact CD2-CB 4.06Å; L157-A191 HydrophobicContact CG-CB 4.34Å; E187-A191 PolarHBondContact O-N 2.97Å; G188-A191 WeakPolarHBondContact O-CB 3.3Å; G188-A191 PolarHBondContact O-N 3Å; G188-A191 VanDerWaalsContact O-N 3.15Å; A191-K193 PolarHBondContact O-N 2.71Å; A191-A194 PolarHBondContact O-N 3.04Å; A191-L195 PolarHBondContact O-N 3.01Å; A191-L195 VanDerWaalsContact O-N 3.09Å
192I98.1Very high97.6Very high3 Ų350.2 Ų50.22%0.01525%0.248CC..Hα-helixtrans-56.6-49.8174.5-68.5170.3000110.4L157 I180 G188 A194 L195 C196 T210L157-I192 HydrophobicContact CD2-CG1 3.74Å; I180-I192 HydrophobicContact CG2-CB 4.44Å; I180-I192 HydrophobicContact CG2-CG1 4.19Å; I180-I192 HydrophobicContact CG2-CG2 4.07Å; G188-I192 WeakPolarHBondContact O-CG1 3.35Å; G188-I192 PolarHBondContact O-N 3.41Å; I192-A194 VanDerWaalsContact C-N 3.31Å; I192-A194 PolarHBondContact O-N 3.21Å; I192-L195 PolarHBondContact O-N 3.09Å; I192-C196 PolarHBondContact O-N 3.39Å; I192-C196 PolarHBondContact O-SG 3.18Å; I192-T210 HydrophobicContact CG2-CG2 3.46Å; I192-T210 VanDerWaalsContact CG2-CG2 3.46Å
193K98.2Very high97.7Very high132 Ų13250.4 Ų50.457%0.57425%0.249SC*.Hα-helixtrans-60.5-39.7179.6-75.4176.6-178-1760112.6Q189 R190 A191 L195 C196 A197Q189-K193 WeakPolarHBondContact O-CB 3.48Å; Q189-K193 VanDerWaalsContact O-CG 3.28Å; Q189-K193 WeakPolarHBondContact O-CG 3.23Å; Q189-K193 PolarHBondContact O-N 3.35Å; Q189-K193 VanDerWaalsContact O-N 3.1Å; R190-K193 PolarHBondContact O-N 3.06Å; A191-K193 PolarHBondContact O-N 2.71Å; K193-L195 VanDerWaalsContact C-N 3.35Å; K193-C196 PolarHBondContact O-N 3.33Å; K193-A197 PolarHBondContact O-N 3.43Å
194A98.4Very high97.8Very high3 Ų352.2 Ų52.23%0.02526%0.262CS..Hα-helixtrans-62.6-41.7176.600000111.8F2 I4 I125 R190 A191 I192 A197 V198F2-A194 HydrophobicContact CD1-CB 3.89Å; I4-A194 HydrophobicContact CD1-CB 3.96Å; I4-A194 HydrophobicContact CG1-CB 4.23Å; I125-A194 HydrophobicContact CD1-CB 3.75Å; R190-A194 PolarHBondContact O-N 2.81Å; A191-A194 PolarHBondContact O-N 3.04Å; I192-A194 VanDerWaalsContact C-N 3.31Å; I192-A194 PolarHBondContact O-N 3.21Å; A194-A197 PolarHBondContact O-N 3.3Å; A194-V198 PolarHBondContact O-N 2.66Å
195L98.3Very high97.8Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-71.1-36.6175.7-175.959.4000112.5L84 F86 T127 L157 N159 I180 A191 I192 K193 A197 V198 Y199L84-L195 HydrophobicContact CD2-CD1 3.84Å; F86-L195 HydrophobicContact CZ-CD1 4.08Å; T127-L195 HydrophobicContact CG2-CD2 4Å; L157-L195 HydrophobicContact CD1-CB 4.04Å; L157-L195 HydrophobicContact CD1-CD2 3.85Å; N159-L195 HydrophobicContact CB-CD2 4.12Å; I180-L195 HydrophobicContact CD1-CB 4.31Å; I180-L195 HydrophobicContact CD1-CD2 4.04Å; I180-L195 HydrophobicContact CD1-CG 3.88Å; I180-L195 HydrophobicContact CG1-CD2 4.06Å; I180-L195 HydrophobicContact CG1-CG 4.45Å; I180-L195 HydrophobicContact CG2-CD2 4Å; A191-L195 PolarHBondContact O-N 3.01Å; A191-L195 VanDerWaalsContact O-N 3.09Å; I192-L195 PolarHBondContact O-N 3.09Å; K193-L195 VanDerWaalsContact C-N 3.35Å; L195-A197 VanDerWaalsContact C-N 3.31Å; L195-A197 PolarHBondContact O-N 2.85Å; L195-V198 WeakPolarHBondContact O-CB 3.42Å; L195-V198 PolarHBondContact O-N 3.14Å; L195-Y199 HydrophobicContact CD1-CD2 4.22Å; L195-Y199 HydrophobicContact CD1-CE2 3.87Å; L195-Y199 HydrophobicContact CD2-CE2 4.43Å; L195-Y199 HydrophobicContact CG-CD2 4.16Å; L195-Y199 HydrophobicContact CG-CE2 3.98Å; L195-Y199 WeakPolarHBondContact O-CD2 3.32Å; L195-Y199 PolarHBondContact O-N 3.4Å
196C98.3Very high97.8Very high9 Ų952 Ų526%0.06127%0.271CS..Hα-helixtrans-58.1-45.5173.1-65.40000110.7I192 K193 V198 Y199 E200I192-C196 PolarHBondContact O-N 3.39Å; I192-C196 PolarHBondContact O-SG 3.18Å; K193-C196 PolarHBondContact O-N 3.33Å; C196-V198 PolarHBondContact O-N 3.19Å; C196-Y199 CarbonylContact O-C 3.43Å; C196-Y199 PolarHBondContact O-N 3.31Å; C196-E200 WeakPolarHBondContact O-CB 3.05Å; C196-E200 VanDerWaalsContact O-CG 3.31Å; C196-E200 WeakPolarHBondContact O-CG 3.16Å; C196-E200 PolarHBondContact O-N 3.1Å
197A98.3Very high97.9Very high40 Ų4052.2 Ų52.233%0.33126%0.259SS..Hα-helixtrans-57.4-33.4178.500000112.9K193 A194 L195 H201K193-A197 PolarHBondContact O-N 3.43Å; A194-A197 PolarHBondContact O-N 3.3Å; L195-A197 VanDerWaalsContact C-N 3.31Å; L195-A197 PolarHBondContact O-N 2.85Å; A197-H201 PolarHBondContact O-CE1 2.75Å; A197-H201 PolarHBondContact O-ND1 2.95Å
198V98.4Very high98Very high4 Ų449.7 Ų49.72%0.02425%0.247CC..Hα-helixtrans-63.8-54172.2178.10000110.2I4 I7 I23 I30 A194 L195 C196 E200 H201 W202I4-V198 HydrophobicContact CB-CG2 4.09Å; I4-V198 HydrophobicContact CD1-CG2 3.88Å; I4-V198 HydrophobicContact CG2-CG2 4.34Å; I7-V198 HydrophobicContact CD1-CG1 4.37Å; I23-V198 HydrophobicContact CG2-CG1 4.1Å; I30-V198 HydrophobicContact CD1-CG1 4.13Å; I30-V198 HydrophobicContact CD1-CG2 4.01Å; A194-V198 PolarHBondContact O-N 2.66Å; L195-V198 WeakPolarHBondContact O-CB 3.42Å; L195-V198 PolarHBondContact O-N 3.14Å; C196-V198 PolarHBondContact O-N 3.19Å; V198-E200 VanDerWaalsContact C-N 3.31Å; V198-E200 PolarHBondContact O-N 2.82Å; V198-H201 PolarHBondContact O-N 2.95Å; V198-H201 PolarHBondContact O-ND1 3.35Å; V198-W202 VanDerWaalsContact O-CZ3 3.26Å; V198-W202 WeakPolarHBondContact O-CZ3 3.36Å
199Y98.4Very high98Very high10 Ų1053.6 Ų53.64%0.03927%0.268CS..Hα-helixtrans-64.4-31.4-179-77.3-70.4000113.8K129 N159 V178 I180 L195 C196 H201 W202 V203K129-Y199 PolarHBondContact NZ-OH 3.34Å; K129-Y199 VanDerWaalsContact NZ-OH 3.11Å; N159-Y199 PolarHBondContact OD1-OH 2.95Å; V178-Y199 HydrophobicContact CG1-CD1 4.09Å; V178-Y199 HydrophobicContact CG1-CD2 3.75Å; V178-Y199 HydrophobicContact CG1-CE1 4.15Å; V178-Y199 HydrophobicContact CG1-CE2 3.79Å; V178-Y199 HydrophobicContact CG1-CG 3.89Å; V178-Y199 HydrophobicContact CG2-CD1 3.92Å; V178-Y199 HydrophobicContact CG2-CE1 4.22Å; V178-Y199 HydrophobicContact CG2-CG 4.31Å; I180-Y199 HydrophobicContact CD1-CD2 4.05Å; I180-Y199 HydrophobicContact CD1-CE2 4.39Å; L195-Y199 HydrophobicContact CD1-CD2 4.22Å; L195-Y199 HydrophobicContact CD1-CE2 3.87Å; L195-Y199 HydrophobicContact CD2-CE2 4.43Å; L195-Y199 HydrophobicContact CG-CD2 4.16Å; L195-Y199 HydrophobicContact CG-CE2 3.98Å; L195-Y199 WeakPolarHBondContact O-CD2 3.32Å; L195-Y199 PolarHBondContact O-N 3.4Å; C196-Y199 CarbonylContact O-C 3.43Å; C196-Y199 PolarHBondContact O-N 3.31Å; Y199-H201 PolarHBondContact O-N 2.83Å; Y199-H201 VanDerWaalsContact O-N 3.08Å; Y199-W202 AromaticContact CD1-CH2 3.6Å; Y199-W202 HydrophobicContact CD1-CH2 3.6Å; Y199-W202 AromaticContact CD1-CZ2 3.49Å; Y199-W202 HydrophobicContact CD1-CZ2 3.49Å; Y199-W202 VanDerWaalsContact CD1-CZ2 3.49Å; Y199-W202 HydrophobicContact CE1-CH2 4.02Å; Y199-W202 AromaticContact CE1-CZ2 3.84Å; Y199-W202 HydrophobicContact CE1-CZ2 3.84Å; Y199-W202 HydrophobicContact CG-CH2 4.39Å; Y199-W202 PolarHBondContact O-N 3.43Å; Y199-W202 VanDerWaalsContact O-N 3.17Å; Y199-V203 HydrophobicContact CD1-CG2 4.39Å; Y199-V203 WeakPolarHBondContact O-CB 3.42Å; Y199-V203 PolarHBondContact O-N 3.11Å
200E98Very high98Very high99 Ų9953.9 Ų53.946%0.46327%0.274SS..THydrogen-bonded Turntrans-62.5-13.3179.7-77174.8-131.700114C196 V198 W202 I205 I208C196-E200 WeakPolarHBondContact O-CB 3.05Å; C196-E200 VanDerWaalsContact O-CG 3.31Å; C196-E200 WeakPolarHBondContact O-CG 3.16Å; C196-E200 PolarHBondContact O-N 3.1Å; V198-E200 VanDerWaalsContact C-N 3.31Å; V198-E200 PolarHBondContact O-N 2.82Å; E200-W202 PolarHBondContact O-N 2.91Å; E200-I205 HydrophobicContact CG-CD1 4.16Å; E200-I205 WeakPolarHBondContact OE1-CD1 3.3Å; E200-I208 HydrophobicContact CG-CD1 3.67Å
201H98.1Very high98Very high97 Ų9749.8 Ų49.845%0.44926%0.263SS..THydrogen-bonded Turntrans-62-28.1173.3-71.476.1000112.6E29 A197 V198 Y199E29-H201 IonicContact OE1-CD2 2.93Å; E29-H201 PolarHBondContact OE1-CD2 3.25Å; E29-H201 IonicContact OE1-CE1 2.81Å; E29-H201 IonicContact OE1-NE2 3.29Å; E29-H201 PolarHBondContact OE1-NE2 2.72Å; E29-H201 VanDerWaalsContact OE1-NE2 3.12Å; A197-H201 PolarHBondContact O-CE1 2.75Å; A197-H201 PolarHBondContact O-ND1 2.95Å; V198-H201 PolarHBondContact O-N 2.95Å; V198-H201 PolarHBondContact O-ND1 3.35Å; Y199-H201 PolarHBondContact O-N 2.83Å; Y199-H201 VanDerWaalsContact O-N 3.08Å
202W98.3Very high97.9Very high42 Ų4252.1 Ų52.116%0.15928%0.275CS..THydrogen-bonded Turntrans-139.2-18.2178.273.997.8000114.9I23 M26 L172 V198 Y199 E200I23-W202 HydrophobicContact CG1-CH2 3.86Å; M26-W202 HydrophobicContact CB-CB 4.24Å; M26-W202 HydrophobicContact CB-CD2 3.71Å; M26-W202 HydrophobicContact CB-CE3 3.29Å; M26-W202 HydrophobicContact CB-CG 4.13Å; M26-W202 HydrophobicContact CB-CZ3 3.91Å; M26-W202 HydrophobicContact CE-CB 3.71Å; M26-W202 HydrophobicContact CE-CG 3.82Å; M26-W202 HydrophobicContact CG-CB 3.98Å; M26-W202 HydrophobicContact CG-CD2 3.67Å; M26-W202 HydrophobicContact CG-CE3 3.82Å; M26-W202 HydrophobicContact CG-CG 3.75Å; M26-W202 HydrophobicContact SD-CB 3.93Å; M26-W202 HydrophobicContact SD-CG 4.25Å; L172-W202 PolarHBondContact O-NE1 2.88Å; V198-W202 VanDerWaalsContact O-CZ3 3.26Å; V198-W202 WeakPolarHBondContact O-CZ3 3.36Å; Y199-W202 AromaticContact CD1-CH2 3.6Å; Y199-W202 HydrophobicContact CD1-CH2 3.6Å; Y199-W202 AromaticContact CD1-CZ2 3.49Å; Y199-W202 HydrophobicContact CD1-CZ2 3.49Å; Y199-W202 VanDerWaalsContact CD1-CZ2 3.49Å; Y199-W202 HydrophobicContact CE1-CH2 4.02Å; Y199-W202 AromaticContact CE1-CZ2 3.84Å; Y199-W202 HydrophobicContact CE1-CZ2 3.84Å; Y199-W202 HydrophobicContact CG-CH2 4.39Å; Y199-W202 PolarHBondContact O-N 3.43Å; Y199-W202 VanDerWaalsContact O-N 3.17Å; E200-W202 PolarHBondContact O-N 2.91Å
203V98.1Very high97.7Very high4 Ų452.5 Ų52.52%0.02428%0.278CS..SBendtrans-98.9123.9179.8-174.60000109.7P175 V178 Y199 I205 R207 I208P175-V203 HydrophobicContact CG-CG1 4.06Å; P175-V203 HydrophobicContact CG-CG2 3.75Å; V178-V203 HydrophobicContact CG2-CB 4.49Å; V178-V203 HydrophobicContact CG2-CG1 4.01Å; V178-V203 HydrophobicContact CG2-CG2 4.08Å; Y199-V203 HydrophobicContact CD1-CG2 4.39Å; Y199-V203 WeakPolarHBondContact O-CB 3.42Å; Y199-V203 PolarHBondContact O-N 3.11Å; V203-I205 PolarHBondContact O-N 3.32Å; V203-R207 HydrophobicContact CG1-CB 3.95Å; V203-I208 HydrophobicContact CB-CD1 4.46Å; V203-I208 HydrophobicContact CB-CG1 4.41Å; V203-I208 HydrophobicContact CG1-CD1 4.48Å; V203-I208 HydrophobicContact CG1-CG1 3.92Å
204P97.4Very high97.4Very high70 Ų7051.7 Ų51.746%0.45527%0.272SS..  trans-58.5137.5174-23.233.1000111.4S206 R207P204-S206 PolarHBondContact O-N 2.89Å; P204-R207 PolarHBondContact O-N 3.37Å
205I96.1Very high97.2Very high105 Ų10553.8 Ų53.854%0.53829%0.286SS..G310 helixtrans-53.3-31.2179.7-168.760.5000113.1E200 V203 R207 I208E200-I205 HydrophobicContact CG-CD1 4.16Å; E200-I205 WeakPolarHBondContact OE1-CD1 3.3Å; V203-I205 PolarHBondContact O-N 3.32Å; I205-R207 PolarHBondContact O-N 2.93Å; I205-R207 VanDerWaalsContact O-N 3.13Å; I205-I208 HydrophobicContact CD1-CB 4.36Å; I205-I208 HydrophobicContact CD1-CD1 4.24Å; I205-I208 PolarHBondContact O-N 3.14Å
206S97.4Very high97.1Very high107 Ų10753.8 Ų53.875%0.74829%0.286SS*.G310 helixtrans-64.8-14.4176.764.30000114.2P204P204-S206 PolarHBondContact O-N 2.89Å
207R97.8Very high96.8Very high104 Ų10453.6 Ų53.639%0.39228%0.284SS..G310 helixtrans-1040.1175.1-61.7-167.7-174.4179.63.7112.6P175 R177 V178 V203 P204 I205P175-R207 VanDerWaalsContact O-CD 3.3Å; P175-R207 WeakPolarHBondContact O-CD 3.42Å; P175-R207 PolarHBondContact O-NH1 3.4Å; R177-R207 CarbonylContact C-O 3.57Å; R177-R207 WeakPolarHBondContact CA-O 3.43Å; V178-R207 PolarHBondContact N-O 2.97Å; V203-R207 HydrophobicContact CG1-CB 3.95Å; P204-R207 PolarHBondContact O-N 3.37Å; I205-R207 PolarHBondContact O-N 2.93Å; I205-R207 VanDerWaalsContact O-N 3.13Å
208I98.1Very high96.6Very high16 Ų1655.5 Ų55.58%0.08229%0.289CS..EExtended strand (participates in β ladder)trans-98.4115.7176-55177.6000108.1V178 I180 E200 V203 I205V178-I208 HydrophobicContact CB-CG1 4.34Å; I180-I208 HydrophobicContact CD1-CG2 4.06Å; E200-I208 HydrophobicContact CG-CD1 3.67Å; V203-I208 HydrophobicContact CB-CD1 4.46Å; V203-I208 HydrophobicContact CB-CG1 4.41Å; V203-I208 HydrophobicContact CG1-CD1 4.48Å; V203-I208 HydrophobicContact CG1-CG1 3.92Å; I205-I208 HydrophobicContact CD1-CB 4.36Å; I205-I208 HydrophobicContact CD1-CD1 4.24Å; I205-I208 PolarHBondContact O-N 3.14Å
209I98.4Very high96.4Very high84 Ų8458 Ų5843%0.43131%0.306SS..EExtended strand (participates in β ladder)trans-104.9120.5-179.9-58.3174.7000108R177 V178 L179 I180R177-I209 HydrophobicContact CB-CD1 4.06Å; R177-I209 HydrophobicContact CG-CD1 4.27Å; V178-I209 PolarHBondContact O-N 2.88Å; L179-I209 WeakPolarHBondContact CA-O 3.45Å; L179-I209 HydrophobicContact CD1-CB 3.94Å; L179-I209 HydrophobicContact CD1-CG2 3.75Å; I180-I209 PolarHBondContact N-O 2.84Å
210T98.3Very high96.1Very high76 Ų7658.2 Ų58.247%0.46631%0.307SS..EExtended strand (participates in β ladder)trans-105.2135.4175.359.70000110.5I180 I192I180-T210 CarbonylContact O-C 3.6Å; I180-T210 VanDerWaalsContact O-CA 3.28Å; I180-T210 WeakPolarHBondContact O-CA 3.49Å; I192-T210 HydrophobicContact CG2-CG2 3.46Å; I192-T210 VanDerWaalsContact CG2-CG2 3.46Å
211T97.5Very high95.8Very high41 Ų4153.6 Ų53.625%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-148.8-178.5-178.1-176.40000110.8L179 I180 G181 G182 S215L179-T211 HydrophobicContact CD1-CG2 3.83Å; I180-T211 PolarHBondContact O-N 3.18Å; G181-T211 CarbonylContact C-O 3.59Å; G181-T211 VanDerWaalsContact CA-O 3.26Å; G181-T211 WeakPolarHBondContact CA-O 3.27Å; G182-T211 PolarHBondContact N-O 3.34Å; T211-S215 WeakPolarHBondContact OG1-CB 3.4Å
212N96.3Very high95.7Very high48 Ų4850.3 Ų50.326%0.25728%0.275SS..EExtended strand (participates in β ladder)trans-71.1157.816571.763.7000112.1G182 W214 S215 S216G182-N212 VanDerWaalsContact O-CA 3.27Å; G182-N212 WeakPolarHBondContact O-CA 3.49Å; N212-W214 PolarHBondContact O-N 2.75Å; N212-W214 PolarHBondContact OD1-N 3.33Å; N212-S215 PolarHBondContact ND2-OG 2.93Å; N212-S215 PolarHBondContact O-N 3.24Å; N212-S215 WeakPolarHBondContact OD1-CB 3.21Å; N212-S215 PolarHBondContact OD1-N 3.21Å; N212-S215 PolarHBondContact OD1-OG 2.9Å; N212-S216 PolarHBondContact O-N 3.29Å; N212-S216 VanDerWaalsContact O-N 3.09Å
213T93.5Very high95.5Very high12 Ų1249.6 Ų49.67%0.07428%0.278CS..Hα-helixtrans-55.5-44.1-176.2-47.10000113.8A137 G182 S216 E217A137-T213 HydrophobicContact CB-CG2 3.22Å; G182-T213 WeakPolarHBondContact CA-OG1 3.3Å; G182-T213 PolarHBondContact O-N 3.13Å; T213-S216 WeakPolarHBondContact O-CB 3.32Å; T213-S216 PolarHBondContact O-N 2.88Å; T213-E217 PolarHBondContact O-N 3.21Å; T213-E217 VanDerWaalsContact O-N 3.11Å
214W92.4Very high95.3Very high115 Ų11549.9 Ų49.944%0.43628%0.28SS..Hα-helixtrans-65.8-44.6-178.9-87.584.6000112.5V134 R135 E138 N212 S216 E217 L218V134-W214 HydrophobicContact CB-CZ3 4.4Å; V134-W214 HydrophobicContact CG1-CD2 4.06Å; V134-W214 HydrophobicContact CG1-CE3 3.09Å; V134-W214 HydrophobicContact CG1-CH2 4.01Å; V134-W214 HydrophobicContact CG1-CZ3 3.07Å; R135-W214 HydrophobicContact CG-CH2 3.18Å; R135-W214 HydrophobicContact CG-CZ2 3.52Å; R135-W214 HydrophobicContact CG-CZ3 3.92Å; E138-W214 WeakPolarHBondContact OE2-CZ2 3.18Å; N212-W214 PolarHBondContact O-N 2.75Å; N212-W214 PolarHBondContact OD1-N 3.33Å; W214-S216 PolarHBondContact O-N 3.25Å; W214-E217 PolarHBondContact O-N 3.47Å; W214-L218 WeakPolarHBondContact O-CB 3.44Å; W214-L218 PolarHBondContact O-N 3.43Å
215S94.9Very high95.2Very high47 Ų4746.5 Ų46.533%0.32926%0.258SS..Hα-helixtrans-62.8-33.4175.8-67.50000111.6T211 N212 S219T211-S215 WeakPolarHBondContact OG1-CB 3.4Å; N212-S215 PolarHBondContact ND2-OG 2.93Å; N212-S215 PolarHBondContact O-N 3.24Å; N212-S215 WeakPolarHBondContact OD1-CB 3.21Å; N212-S215 PolarHBondContact OD1-N 3.21Å; N212-S215 PolarHBondContact OD1-OG 2.9Å; S215-S219 WeakPolarHBondContact O-CB 3.47Å; S215-S219 PolarHBondContact O-N 3.32Å; S215-S219 PolarHBondContact O-OG 2.88Å
216S95.1Very high95.3Very high0 Ų047.1 Ų47.10%026%0.257CS..Hα-helixtrans-64.1-54.3173.9179.20000112.1S158 P160 N212 T213 W214 L218 S219 K220S158-S216 PolarHBondContact OG-OG 3.16Å; P160-S216 WeakPolarHBondContact CD-OG 3.35Å; P160-S216 WeakPolarHBondContact CG-OG 3.27Å; N212-S216 PolarHBondContact O-N 3.29Å; N212-S216 VanDerWaalsContact O-N 3.09Å; T213-S216 WeakPolarHBondContact O-CB 3.32Å; T213-S216 PolarHBondContact O-N 2.88Å; W214-S216 PolarHBondContact O-N 3.25Å; S216-L218 PolarHBondContact O-N 3.21Å; S216-S219 PolarHBondContact O-N 3Å; S216-K220 PolarHBondContact O-N 2.99Å
217E92.8Very high95.2Very high4 Ų444.5 Ų44.52%0.01923%0.234CC..Hα-helixtrans-59.1-47.8179.3-68179.2160.200111.6V134 R135 A136 A137 T213 W214 S219 K220 L221V134-E217 WeakPolarHBondContact CA-OE2 3.33Å; R135-E217 PolarHBondContact N-OE2 3.49Å; A136-E217 PolarHBondContact N-OE1 2.85Å; A137-E217 VanDerWaalsContact CB-OE1 3.28Å; A137-E217 WeakPolarHBondContact CB-OE1 3.41Å; A137-E217 PolarHBondContact N-OE1 3.29Å; T213-E217 PolarHBondContact O-N 3.21Å; T213-E217 VanDerWaalsContact O-N 3.11Å; W214-E217 PolarHBondContact O-N 3.47Å; E217-S219 PolarHBondContact O-N 3.09Å; E217-K220 PolarHBondContact O-N 2.94Å; E217-L221 PolarHBondContact O-N 3.13Å
218L93.6Very high95.1Very high81 Ų8139.6 Ų39.642%0.42422%0.216SC..Hα-helixtrans-64.8-39.2-179.6-179.661000112.2V134 W214 S216 K220 L221 A222 L284V134-L218 HydrophobicContact CG2-CB 4.31Å; V134-L218 HydrophobicContact CG2-CD1 4.21Å; W214-L218 WeakPolarHBondContact O-CB 3.44Å; W214-L218 PolarHBondContact O-N 3.43Å; S216-L218 PolarHBondContact O-N 3.21Å; L218-K220 PolarHBondContact O-N 3.19Å; L218-L221 PolarHBondContact O-N 2.86Å; L218-A222 WeakPolarHBondContact O-CB 3.36Å; L218-A222 PolarHBondContact O-N 3.14Å; L218-L284 HydrophobicContact CD1-CD1 4.5Å
219S94.6Very high95.2Very high56 Ų5640.4 Ų40.439%0.39222%0.219SC..Hα-helixtrans-60.4-35.1178.6-66.70000111.9S215 S216 E217 A223S215-S219 WeakPolarHBondContact O-CB 3.47Å; S215-S219 PolarHBondContact O-N 3.32Å; S215-S219 PolarHBondContact O-OG 2.88Å; S216-S219 PolarHBondContact O-N 3Å; E217-S219 PolarHBondContact O-N 3.09Å; S219-A223 WeakPolarHBondContact O-CB 3.35Å; S219-A223 PolarHBondContact O-N 3.34Å
220K92.2Very high95.2Very high14 Ų1439.2 Ų39.26%0.06121%0.209CC..Hα-helixtrans-67.3-48.9176.8177.359.7-176.2174.80112T131 P160 E161 F162 S216 E217 L218 A223 N224T131-K220 HydrophobicContact CG2-CG 4.12Å; P160-K220 HydrophobicContact CB-CB 3.68Å; P160-K220 HydrophobicContact CB-CD 4.07Å; P160-K220 HydrophobicContact CB-CG 3.82Å; P160-K220 HydrophobicContact CG-CB 4.01Å; E161-K220 WeakPolarHBondContact O-CD 3.44Å; E161-K220 WeakPolarHBondContact O-CE 3.44Å; E161-K220 PolarHBondContact O-NZ 3.15Å; F162-K220 HydrophobicContact CD1-CD 3.99Å; F162-K220 HydrophobicContact CE1-CD 3.62Å; F162-K220 HydrophobicContact CZ-CD 4.18Å; S216-K220 PolarHBondContact O-N 2.99Å; E217-K220 PolarHBondContact O-N 2.94Å; L218-K220 PolarHBondContact O-N 3.19Å; K220-A223 PolarHBondContact O-N 3.14Å; K220-N224 WeakPolarHBondContact CE-ND2 3.39Å; K220-N224 PolarHBondContact NZ-ND2 2.88Å; K220-N224 PolarHBondContact NZ-OD1 3.24Å; K220-N224 PolarHBondContact O-N 3.4Å; K220-N224 VanDerWaalsContact O-N 3.14Å
221L92.1Very high95.1Very high2 Ų236.4 Ų36.41%0.0119%0.191CC..Hα-helixtrans-61.5-46.1177.5-68.7-176.8000111.4V134 E217 L218 N224 A225 D280V134-L221 HydrophobicContact CG2-CD1 3.62Å; E217-L221 PolarHBondContact O-N 3.13Å; L218-L221 PolarHBondContact O-N 2.86Å; L221-N224 PolarHBondContact O-N 2.85Å; L221-A225 WeakPolarHBondContact O-CB 3.05Å; L221-A225 PolarHBondContact O-N 2.84Å; L221-D280 HydrophobicContact CD2-CB 3.86Å
222A94.8Very high95.2Very high28 Ų2834.7 Ų34.723%0.23118%0.181CC..Hα-helixtrans-61.1-48.4178.300000111.1L218 N224 A225 F226L218-A222 WeakPolarHBondContact O-CB 3.36Å; L218-A222 PolarHBondContact O-N 3.14Å; A222-N224 VanDerWaalsContact C-N 3.32Å; A222-N224 PolarHBondContact O-N 3.42Å; A222-A225 WeakPolarHBondContact O-CB 3.48Å; A222-A225 PolarHBondContact O-N 2.76Å; A222-A225 VanDerWaalsContact O-N 3.11Å; A222-F226 VanDerWaalsContact O-CD2 3.29Å; A222-F226 WeakPolarHBondContact O-CD2 3.26Å; A222-F226 PolarHBondContact O-N 2.86Å
223A94.9Very high95.3Very high27 Ų2735.4 Ų35.422%0.22319%0.19CC..Hα-helixtrans-56.9-45.2179.200000112.3F162 S219 K220 F226 L227F162-A223 HydrophobicContact CE1-CB 4.45Å; S219-A223 WeakPolarHBondContact O-CB 3.35Å; S219-A223 PolarHBondContact O-N 3.34Å; K220-A223 PolarHBondContact O-N 3.14Å; A223-F226 PolarHBondContact O-N 2.97Å; A223-L227 WeakPolarHBondContact O-CG 3.15Å; A223-L227 PolarHBondContact O-N 3.32Å
224N92.9Very high95.5Very high10 Ų1035 Ų355%0.05319%0.187CC..Hα-helixtrans-67.1-37177.4-78.62000112.2K220 L221 A222 L227 A228 F277 D280K220-N224 WeakPolarHBondContact CE-ND2 3.39Å; K220-N224 PolarHBondContact NZ-ND2 2.88Å; K220-N224 PolarHBondContact NZ-OD1 3.24Å; K220-N224 PolarHBondContact O-N 3.4Å; K220-N224 VanDerWaalsContact O-N 3.14Å; L221-N224 PolarHBondContact O-N 2.85Å; A222-N224 VanDerWaalsContact C-N 3.32Å; A222-N224 PolarHBondContact O-N 3.42Å; N224-L227 PolarHBondContact O-N 3.02Å; N224-A228 WeakPolarHBondContact O-CB 3.47Å; N224-A228 PolarHBondContact O-N 3.07Å; N224-F277 HydrophobicContact CB-CD1 4.27Å; N224-F277 HydrophobicContact CB-CE1 4.48Å; N224-F277 WeakPolarHBondContact O-CD1 3.46Å; N224-D280 HydrophobicContact CB-CB 4.27Å; N224-D280 PolarHBondContact ND2-OD2 2.91Å
225A95.7Very high95.8Very high0 Ų029.5 Ų29.50%017%0.166CC..Hα-helixtrans-64.4-40.3174.300000112.4L221 A222 A228 Q229 V281 L284 W300L221-A225 WeakPolarHBondContact O-CB 3.05Å; L221-A225 PolarHBondContact O-N 2.84Å; A222-A225 WeakPolarHBondContact O-CB 3.48Å; A222-A225 PolarHBondContact O-N 2.76Å; A222-A225 VanDerWaalsContact O-N 3.11Å; A225-A228 PolarHBondContact O-N 3.25Å; A225-Q229 VanDerWaalsContact O-CB 3.24Å; A225-Q229 WeakPolarHBondContact O-CB 3.41Å; A225-Q229 PolarHBondContact O-N 2.7Å; A225-V281 HydrophobicContact CB-CG2 3.96Å; A225-L284 HydrophobicContact CB-CD2 3.87Å; A225-W300 HydrophobicContact CB-CD2 4.48Å; A225-W300 HydrophobicContact CB-CE3 3.89Å; A225-W300 HydrophobicContact CB-CH2 4.22Å; A225-W300 HydrophobicContact CB-CZ3 3.74Å
226F97.9Very high96Very high117 Ų11729.2 Ų29.251%0.51316%0.164SC..Hα-helixtrans-65.2-40174.4-90.1-97.4000112.2A222 A223 Q229 R230 W300A222-F226 VanDerWaalsContact O-CD2 3.29Å; A222-F226 WeakPolarHBondContact O-CD2 3.26Å; A222-F226 PolarHBondContact O-N 2.86Å; A223-F226 PolarHBondContact O-N 2.97Å; F226-Q229 PolarHBondContact O-N 2.86Å; F226-R230 WeakPolarHBondContact O-CG 3.2Å; F226-R230 PolarHBondContact O-N 3.19Å; F226-R230 VanDerWaalsContact O-N 3.09Å; F226-W300 AromaticContact CD2-CH2 3.77Å; F226-W300 HydrophobicContact CD2-CH2 3.77Å; F226-W300 HydrophobicContact CD2-CZ2 4.47Å; F226-W300 AromaticContact CE2-CH2 3.7Å; F226-W300 HydrophobicContact CE2-CH2 3.7Å; F226-W300 HydrophobicContact CE2-CZ2 4.06Å; F226-W300 HydrophobicContact CG-CH2 4.43Å; F226-W300 HydrophobicContact CZ-CH2 4.28Å
227L95.8Very high96.2Very high53 Ų5331.9 Ų31.928%0.27718%0.178SC..Hα-helixtrans-63.2-46.2174.8-69.9172.6000111.7A223 N224 Q229 R230 I231 F265 F277A223-L227 WeakPolarHBondContact O-CG 3.15Å; A223-L227 PolarHBondContact O-N 3.32Å; N224-L227 PolarHBondContact O-N 3.02Å; L227-Q229 VanDerWaalsContact C-N 3.35Å; L227-R230 PolarHBondContact O-N 2.81Å; L227-I231 PolarHBondContact O-N 3.35Å; L227-F265 HydrophobicContact CB-CD1 4.06Å; L227-F265 HydrophobicContact CB-CE1 3.97Å; L227-F265 HydrophobicContact CD1-CZ 4.34Å; L227-F265 HydrophobicContact CD2-CD1 3.92Å; L227-F265 HydrophobicContact CD2-CD2 3.83Å; L227-F265 HydrophobicContact CD2-CE1 4.02Å; L227-F265 HydrophobicContact CD2-CE2 3.91Å; L227-F265 HydrophobicContact CD2-CG 3.85Å; L227-F265 HydrophobicContact CD2-CZ 4.01Å; L227-F265 HydrophobicContact CG-CE1 4.38Å; L227-F277 HydrophobicContact CB-CE1 3.7Å; L227-F277 HydrophobicContact CB-CZ 3.99Å; L227-F277 HydrophobicContact CD1-CE1 4.14Å; L227-F277 HydrophobicContact CD1-CZ 4.44Å
228A96.4Very high96.4Very high0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-62.8-41.717600000111.8N224 A225 R230 I231 S232 F272 F277 V281 V303N224-A228 WeakPolarHBondContact O-CB 3.47Å; N224-A228 PolarHBondContact O-N 3.07Å; A225-A228 PolarHBondContact O-N 3.25Å; A228-R230 VanDerWaalsContact C-N 3.35Å; A228-R230 PolarHBondContact O-N 3.46Å; A228-I231 PolarHBondContact O-N 2.96Å; A228-S232 PolarHBondContact O-N 3.13Å; A228-F272 HydrophobicContact CB-CE1 4.19Å; A228-F272 HydrophobicContact CB-CZ 4.27Å; A228-F277 HydrophobicContact CB-CB 3.92Å; A228-F277 HydrophobicContact CB-CD1 4.12Å; A228-F277 HydrophobicContact CB-CG 4Å; A228-V281 HydrophobicContact CB-CG2 4.14Å; A228-V303 HydrophobicContact CB-CG1 3.76Å
229Q98.5Very high96.6Very high34 Ų3428.8 Ų28.816%0.15917%0.165CC..Hα-helixtrans-58.6-44.4177.5-178.4179.958.500111.6A225 F226 L227 I231 S232 S233 Y299 W300 V303A225-Q229 VanDerWaalsContact O-CB 3.24Å; A225-Q229 WeakPolarHBondContact O-CB 3.41Å; A225-Q229 PolarHBondContact O-N 2.7Å; F226-Q229 PolarHBondContact O-N 2.86Å; L227-Q229 VanDerWaalsContact C-N 3.35Å; Q229-I231 VanDerWaalsContact C-N 3.28Å; Q229-I231 PolarHBondContact O-N 2.83Å; Q229-S232 PolarHBondContact O-N 3.02Å; Q229-S233 WeakPolarHBondContact O-CB 3.26Å; Q229-S233 PolarHBondContact O-N 2.77Å; Q229-S233 PolarHBondContact O-OG 3.05Å; Q229-Y299 PolarHBondContact NE2-OH 3.35Å; Q229-W300 HydrophobicContact CB-CZ3 4.27Å; Q229-V303 HydrophobicContact CB-CG2 3.89Å; Q229-V303 HydrophobicContact CG-CG2 4.14Å
230R98.4Very high96.8Very high58 Ų5830.8 Ų30.822%0.21917%0.171CC..Hα-helixtrans-57.6-41.6177.3-69.917571.689.6-1.2112.2F226 L227 A228 S233 I234 I261 G262 K264 F265F226-R230 WeakPolarHBondContact O-CG 3.2Å; F226-R230 PolarHBondContact O-N 3.19Å; F226-R230 VanDerWaalsContact O-N 3.09Å; L227-R230 PolarHBondContact O-N 2.81Å; A228-R230 VanDerWaalsContact C-N 3.35Å; A228-R230 PolarHBondContact O-N 3.46Å; R230-S233 PolarHBondContact O-N 2.97Å; R230-I234 PolarHBondContact O-N 3.17Å; R230-I261 PolarHBondContact NH1-O 3.27Å; R230-I261 PolarHBondContact NH2-O 3.28Å; R230-I261 VanDerWaalsContact NH2-O 3.07Å; R230-G262 PolarHBondContact NH2-O 2.94Å; R230-K264 PolarHBondContact NE-O 3.49Å; R230-K264 VanDerWaalsContact NE-O 3.09Å; R230-K264 PolarHBondContact NH2-O 3.39Å; R230-F265 HydrophobicContact CB-CB 4.21Å; R230-F265 WeakPolarHBondContact CB-O 3.41Å
231I97.6Very high97Very high18 Ų1830.3 Ų30.39%0.09217%0.169CC..Hα-helixtrans-66.4-47.7177.4-59169.1000110.4L227 A228 Q229 S233 I234 N235 F265 F272 F277L227-I231 PolarHBondContact O-N 3.35Å; A228-I231 PolarHBondContact O-N 2.96Å; Q229-I231 VanDerWaalsContact C-N 3.28Å; Q229-I231 PolarHBondContact O-N 2.83Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S233 PolarHBondContact O-N 3.24Å; I231-I234 WeakPolarHBondContact O-CG2 3.05Å; I231-I234 PolarHBondContact O-N 2.79Å; I231-N235 VanDerWaalsContact O-CB 3.25Å; I231-N235 WeakPolarHBondContact O-CB 3.38Å; I231-N235 VanDerWaalsContact O-CG 3.26Å; I231-N235 PolarHBondContact O-N 3.49Å; I231-F265 HydrophobicContact CD1-CD1 3.77Å; I231-F265 HydrophobicContact CD1-CE1 4.06Å; I231-F265 HydrophobicContact CG1-CD1 3.96Å; I231-F272 HydrophobicContact CB-CD1 4.29Å; I231-F272 HydrophobicContact CD1-CB 3.84Å; I231-F272 HydrophobicContact CG2-CB 4.12Å; I231-F272 HydrophobicContact CG2-CD1 4.18Å; I231-F277 HydrophobicContact CD1-CE2 4.1Å
232S98.4Very high97.2Very high5 Ų531.6 Ų31.64%0.03518%0.175CC..Hα-helixtrans-63.7-37.3177.5-72.30000112.4A228 Q229 N235 S236 F272 V303 M306A228-S232 PolarHBondContact O-N 3.13Å; Q229-S232 PolarHBondContact O-N 3.02Å; S232-N235 PolarHBondContact O-N 2.65Å; S232-S236 PolarHBondContact O-N 3.1Å; S232-F272 WeakPolarHBondContact OG-CE1 3.28Å; S232-V303 PolarHBondContact OG-O 2.94Å; S232-M306 VanDerWaalsContact O-CG 3.3Å; S232-M306 WeakPolarHBondContact O-CG 3.44Å
233S98.7Very high97.2Very high62 Ų6233.9 Ų33.943%0.43419%0.194SC..Hα-helixtrans-63.9-47.7175-64.70000111.8Q229 R230 I231 N235 S236 I237Q229-S233 WeakPolarHBondContact O-CB 3.26Å; Q229-S233 PolarHBondContact O-N 2.77Å; Q229-S233 PolarHBondContact O-OG 3.05Å; R230-S233 PolarHBondContact O-N 2.97Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S233 PolarHBondContact O-N 3.24Å; S233-N235 VanDerWaalsContact C-N 3.31Å; S233-N235 PolarHBondContact O-N 3.21Å; S233-S236 PolarHBondContact O-N 3.47Å; S233-S236 PolarHBondContact O-OG 3.49Å; S233-I237 WeakPolarHBondContact O-CG1 3.36Å; S233-I237 PolarHBondContact O-N 2.76Å
234I98.6Very high97.2Very high4 Ų436.9 Ų36.92%0.02121%0.209CC..Hα-helixtrans-70.5-30.9178.4-162.463.2000112R230 I231 I237 S238 V248 A252 A268R230-I234 PolarHBondContact O-N 3.17Å; I231-I234 WeakPolarHBondContact O-CG2 3.05Å; I231-I234 PolarHBondContact O-N 2.79Å; I234-I237 HydrophobicContact CD1-CB 4.45Å; I234-I237 PolarHBondContact O-N 2.97Å; I234-S238 PolarHBondContact O-N 3.28Å; I234-V248 HydrophobicContact CD1-CG2 4.06Å; I234-V248 HydrophobicContact CG1-CG2 4.01Å; I234-A252 HydrophobicContact CD1-CB 3.9Å; I234-A252 HydrophobicContact CG1-CB 4.25Å; I234-A268 HydrophobicContact CG2-CB 4.5Å
235N98.4Very high97.2Very high0 Ų038.6 Ų38.60%023%0.23CC..Hα-helixtrans-66.3-37.7173.5-79.9-12.6000112.3I231 S232 S233 I237 S238 A239 A268 S269 Q310I231-N235 VanDerWaalsContact O-CB 3.25Å; I231-N235 WeakPolarHBondContact O-CB 3.38Å; I231-N235 VanDerWaalsContact O-CG 3.26Å; I231-N235 PolarHBondContact O-N 3.49Å; S232-N235 PolarHBondContact O-N 2.65Å; S233-N235 VanDerWaalsContact C-N 3.31Å; S233-N235 PolarHBondContact O-N 3.21Å; N235-I237 VanDerWaalsContact C-N 3.34Å; N235-I237 PolarHBondContact O-N 2.84Å; N235-S238 WeakPolarHBondContact O-CB 3.42Å; N235-S238 PolarHBondContact O-N 3.07Å; N235-S238 VanDerWaalsContact O-N 3.16Å; N235-S238 PolarHBondContact O-OG 2.68Å; N235-A239 PolarHBondContact O-N 3.43Å; N235-A268 VanDerWaalsContact OD1-CA 3.31Å; N235-A268 WeakPolarHBondContact OD1-CA 3.31Å; N235-S269 PolarHBondContact ND2-O 3.3Å; N235-S269 PolarHBondContact OD1-N 2.84Å; N235-S269 PolarHBondContact OD1-O 3.19Å; N235-Q310 HydrophobicContact CB-CG 4.13Å; N235-Q310 PolarHBondContact O-OE1 3.32Å; N235-Q310 PolarHBondContact OD1-NE2 3.3Å
236S98.6Very high97.3Very high41 Ų4140.5 Ų40.529%0.28725%0.245SC..Hα-helixtrans-64-41.4173.978.80000111.7S232 S233 S238 A239 L240 M306S232-S236 PolarHBondContact O-N 3.1Å; S233-S236 PolarHBondContact O-N 3.47Å; S233-S236 PolarHBondContact O-OG 3.49Å; S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 3.1Å; S236-A239 PolarHBondContact O-N 3.33Å; S236-L240 PolarHBondContact O-N 2.91Å; S236-M306 WeakPolarHBondContact CB-SD 3.41Å
237I98.6Very high97.2Very high55 Ų5535.9 Ų35.928%0.28223%0.226SC..Hα-helixtrans-64.1-32.4174.1-61.4-58.8000111.5S233 I234 N235 A239 L240 C241 V251S233-I237 WeakPolarHBondContact O-CG1 3.36Å; S233-I237 PolarHBondContact O-N 2.76Å; I234-I237 HydrophobicContact CD1-CB 4.45Å; I234-I237 PolarHBondContact O-N 2.97Å; N235-I237 VanDerWaalsContact C-N 3.34Å; N235-I237 PolarHBondContact O-N 2.84Å; I237-A239 VanDerWaalsContact C-N 3.31Å; I237-A239 PolarHBondContact O-N 2.81Å; I237-L240 WeakPolarHBondContact O-CB 3.24Å; I237-L240 PolarHBondContact O-N 3.04Å; I237-L240 VanDerWaalsContact O-N 3.15Å; I237-C241 PolarHBondContact O-N 2.85Å; I237-C241 PolarHBondContact O-SG 2.63Å; I237-V251 HydrophobicContact CG2-CG1 3.86Å
238S98.3Very high97.3Very high0 Ų033.4 Ų33.40%021%0.213CC..Hα-helixtrans-59.5-40.7175.482.20000112.3I234 N235 S236 L240 C241 E242 Q310 R313 G467I234-S238 PolarHBondContact O-N 3.28Å; N235-S238 WeakPolarHBondContact O-CB 3.42Å; N235-S238 PolarHBondContact O-N 3.07Å; N235-S238 VanDerWaalsContact O-N 3.16Å; N235-S238 PolarHBondContact O-OG 2.68Å; S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 3.1Å; S238-L240 PolarHBondContact O-N 3.36Å; S238-C241 WeakPolarHBondContact O-CB 3.36Å; S238-C241 PolarHBondContact O-N 3.17Å; S238-E242 WeakPolarHBondContact O-CG 3.43Å; S238-E242 PolarHBondContact O-N 3.03Å; S238-Q310 PolarHBondContact OG-NE2 2.8Å; S238-R313 PolarHBondContact OG-NH2 3.29Å; S238-G467 WeakPolarHBondContact O-CA 3.44Å
239A97.8Very high97.3Very high20 Ų2035.9 Ų35.917%0.16522%0.224CC..Hα-helixtrans-65.3-39.3175.700000111.8N235 S236 I237 E242 A243 Y309N235-A239 PolarHBondContact O-N 3.43Å; S236-A239 PolarHBondContact O-N 3.33Å; I237-A239 VanDerWaalsContact C-N 3.31Å; I237-A239 PolarHBondContact O-N 2.81Å; A239-E242 PolarHBondContact O-N 3.32Å; A239-A243 PolarHBondContact O-N 2.71Å; A239-Y309 HydrophobicContact CB-CE1 4.23Å
240L97.7Very high97.3Very high99 Ų9941.1 Ų41.152%0.51825%0.249SC..Hα-helixtrans-64.8-39.2175.1-176.162000112S236 I237 S238 A243 T244S236-L240 PolarHBondContact O-N 2.91Å; I237-L240 WeakPolarHBondContact O-CB 3.24Å; I237-L240 PolarHBondContact O-N 3.04Å; I237-L240 VanDerWaalsContact O-N 3.15Å; S238-L240 PolarHBondContact O-N 3.36Å; L240-A243 PolarHBondContact O-N 2.85Å; L240-T244 HydrophobicContact CD1-CG2 3.82Å; L240-T244 HydrophobicContact CG-CG2 4.26Å; L240-T244 WeakPolarHBondContact O-CB 3.47Å; L240-T244 WeakPolarHBondContact O-CG2 3.23Å; L240-T244 PolarHBondContact O-N 3.3Å; L240-T244 PolarHBondContact O-OG1 3.32Å
241C97.8Very high97.3Very high3 Ų340.5 Ų40.52%0.0225%0.251CS..Hα-helixtrans-61-44.4175.3-67.50000111.3I237 S238 A243 T244 G245 A246 V248I237-C241 PolarHBondContact O-N 2.85Å; I237-C241 PolarHBondContact O-SG 2.63Å; S238-C241 WeakPolarHBondContact O-CB 3.36Å; S238-C241 PolarHBondContact O-N 3.17Å; C241-A243 VanDerWaalsContact C-N 3.3Å; C241-A243 PolarHBondContact O-N 3.17Å; C241-T244 PolarHBondContact O-N 3.27Å; C241-G245 PolarHBondContact O-N 2.68Å; C241-A246 HydrophobicContact CB-CB 4.18Å; C241-A246 WeakPolarHBondContact CB-O 3.5Å; C241-A246 PolarHBondContact O-N 2.82Å; C241-V248 HydrophobicContact CB-CB 4.43Å
242E95.4Very high97.3Very high30 Ų3040 Ų4014%0.1425%0.25CS..Hα-helixtrans-59.5-38.3176.3-69.5169.9-144.200112.5S238 A239 R313 R317 G467S238-E242 WeakPolarHBondContact O-CG 3.43Å; S238-E242 PolarHBondContact O-N 3.03Å; A239-E242 PolarHBondContact O-N 3.32Å; E242-R313 IonicContact OE1-CZ 2.71Å; E242-R313 VanDerWaalsContact OE1-CZ 3.32Å; E242-R313 IonicContact OE1-NH1 3.33Å; E242-R313 PolarHBondContact OE1-NH1 3.44Å; E242-R313 IonicContact OE1-NH2 3.94Å; E242-R313 PolarHBondContact OE1-NH2 3.28Å; E242-R313 IonicContact OE2-CZ 2.97Å; E242-R313 IonicContact OE2-NH1 3.11Å; E242-R313 PolarHBondContact OE2-NH1 3.37Å; E242-R317 IonicContact OE1-NH1 2.68Å; E242-R317 IonicContact OE2-CZ 3.94Å; E242-R317 IonicContact OE2-NH1 3.39Å; E242-R317 PolarHBondContact OE2-NH1 3.48Å; E242-G467 PolarHBondContact OE1-N 3.07Å
243A94.4Very high97.3Very high76 Ų7647 Ų4763%0.62828%0.28SS*.Hα-helixtrans-76-36.5179.100000113.4A239 L240 C241A239-A243 PolarHBondContact O-N 2.71Å; L240-A243 PolarHBondContact O-N 2.85Å; C241-A243 VanDerWaalsContact C-N 3.3Å; C241-A243 PolarHBondContact O-N 3.17Å
244T95.1Very high97.3Very high89 Ų8947.3 Ų47.355%0.54629%0.286SS..Hα-helixtrans-95.7-23.6-170.555.50000114L240 C241L240-T244 HydrophobicContact CD1-CG2 3.82Å; L240-T244 HydrophobicContact CG-CG2 4.26Å; L240-T244 WeakPolarHBondContact O-CB 3.47Å; L240-T244 WeakPolarHBondContact O-CG2 3.23Å; L240-T244 PolarHBondContact O-N 3.3Å; L240-T244 PolarHBondContact O-OG1 3.32Å; C241-T244 PolarHBondContact O-N 3.27Å
245G93.3Very high97.2Very high47 Ų4750 Ų5049%0.48530%0.3SS..THydrogen-bonded Turntrans100.22-176.200000115.1C241C241-G245 PolarHBondContact O-N 2.68Å
246A96.7Very high97.2Very high39 Ų3950.5 Ų50.532%0.32231%0.305SS..  trans-72.2164.5169.900000111.8C241 V251C241-A246 HydrophobicContact CB-CB 4.18Å; C241-A246 WeakPolarHBondContact CB-O 3.5Å; C241-A246 PolarHBondContact O-N 2.82Å; A246-V251 HydrophobicContact CB-CG2 4.47Å
247D97.1Very high97.1Very high21 Ų2155.5 Ų55.511%0.11233%0.325CS..BIsolated β-bridgetrans-107.8125.2169.7-165.8-48.8000110.2E249 E250 V251 R447 G467 K468D247-E249 PolarHBondContact O-N 3.36Å; D247-E249 PolarHBondContact OD1-N 3.42Å; D247-E250 HydrophobicContact CB-CB 4.45Å; D247-E250 HydrophobicContact CB-CG 4.11Å; D247-E250 PolarHBondContact O-N 3.01Å; D247-V251 WeakPolarHBondContact O-CG2 3.38Å; D247-V251 PolarHBondContact O-N 2.92Å; D247-V251 VanDerWaalsContact O-N 3.14Å; D247-R447 IonicContact OD1-CZ 3.23Å; D247-R447 IonicContact OD1-NH1 3.49Å; D247-R447 IonicContact OD1-NH2 2.94Å; D247-R447 PolarHBondContact OD1-NH2 3.27Å; D247-R447 IonicContact OD2-CZ 2.89Å; D247-R447 IonicContact OD2-NH1 3.32Å; D247-R447 IonicContact OD2-NH2 3.9Å; D247-R447 PolarHBondContact OD2-NH2 3.16Å; D247-R447 VanDerWaalsContact OD2-NH2 3.09Å; D247-G467 WeakPolarHBondContact CA-O 3.32Å; D247-K468 IonicContact OD2-NZ 3.8Å
248V97.9Very high97.1Very high0 Ų055.3 Ų55.30%033%0.325CS..Hα-helixtrans-61.2-30.2-177.973.30000113.2I234 C241 V251 A252 A268 G467I234-V248 HydrophobicContact CD1-CG2 4.06Å; I234-V248 HydrophobicContact CG1-CG2 4.01Å; C241-V248 HydrophobicContact CB-CB 4.43Å; V248-V251 PolarHBondContact O-N 2.83Å; V248-A252 WeakPolarHBondContact O-CB 3.2Å; V248-A252 PolarHBondContact O-N 2.75Å; V248-A268 HydrophobicContact CG1-CB 3.86Å; V248-A268 HydrophobicContact CG2-CB 3.97Å; V248-G467 PolarHBondContact N-O 2.94Å
249E96.9Very high97Very high52 Ų5264.3 Ų64.324%0.24337%0.367CS..Hα-helixtrans-71-36.9179.2-70.1-67.7130.900111.6D247 K253 K267D247-E249 PolarHBondContact O-N 3.36Å; D247-E249 PolarHBondContact OD1-N 3.42Å; E249-K253 VanDerWaalsContact O-CB 3.29Å; E249-K253 WeakPolarHBondContact O-CB 3.39Å; E249-K253 PolarHBondContact O-N 2.95Å; E249-K267 VanDerWaalsContact OE1-CD 3.26Å; E249-K267 WeakPolarHBondContact OE1-CD 3.49Å; E249-K267 IonicContact OE1-NZ 3.56Å; E249-K267 PolarHBondContact OE1-NZ 3.19Å; E249-K267 IonicContact OE2-NZ 3.02Å; E249-K267 PolarHBondContact OE2-NZ 3.4Å
250E97.9Very high97Very high145 Ų14573.7 Ų73.768%0.67840%0.398SS*.Hα-helixtrans-66.3-44174.5-64.8-179.1179.900110.6D247 K253 A254D247-E250 HydrophobicContact CB-CB 4.45Å; D247-E250 HydrophobicContact CB-CG 4.11Å; D247-E250 PolarHBondContact O-N 3.01Å; E250-K253 PolarHBondContact O-N 2.65Å; E250-A254 PolarHBondContact O-N 3.37Å
251V98.3Very high96.9Very high44 Ų4472.4 Ų72.427%0.26739%0.391SS..Hα-helixtrans-63.5-46.3176.1176.20000111.1I237 A246 D247 V248 K253 A254 I255I237-V251 HydrophobicContact CG2-CG1 3.86Å; A246-V251 HydrophobicContact CB-CG2 4.47Å; D247-V251 WeakPolarHBondContact O-CG2 3.38Å; D247-V251 PolarHBondContact O-N 2.92Å; D247-V251 VanDerWaalsContact O-N 3.14Å; V248-V251 PolarHBondContact O-N 2.83Å; V251-K253 VanDerWaalsContact C-N 3.32Å; V251-K253 PolarHBondContact O-N 2.88Å; V251-A254 PolarHBondContact O-N 3.05Å; V251-I255 HydrophobicContact CG1-CD1 3.72Å; V251-I255 HydrophobicContact CG1-CG1 4.39Å; V251-I255 WeakPolarHBondContact O-CG1 3.44Å; V251-I255 PolarHBondContact O-N 3.43Å
252A97.8Very high96.8Very high9 Ų973.5 Ų73.57%0.07440%0.403CS..Hα-helixtrans-60.1-42.3177.300000111.7I234 V248 G256 L266I234-A252 HydrophobicContact CD1-CB 3.9Å; I234-A252 HydrophobicContact CG1-CB 4.25Å; V248-A252 WeakPolarHBondContact O-CB 3.2Å; V248-A252 PolarHBondContact O-N 2.75Å; A252-G256 PolarHBondContact O-N 2.8Å; A252-L266 HydrophobicContact CB-CB 4.32Å; A252-L266 WeakPolarHBondContact CB-O 3.33Å
253K97.6Very high96.8Very high151 Ų15176.4 Ų76.466%0.65743%0.427SS*.Hα-helixtrans-61.7-47.4175.6-176.5179.4179-178.20111.2E249 E250 V251 G256 M257E249-K253 VanDerWaalsContact O-CB 3.29Å; E249-K253 WeakPolarHBondContact O-CB 3.39Å; E249-K253 PolarHBondContact O-N 2.95Å; E250-K253 PolarHBondContact O-N 2.65Å; V251-K253 VanDerWaalsContact C-N 3.32Å; V251-K253 PolarHBondContact O-N 2.88Å; K253-G256 PolarHBondContact O-N 3.45Å; K253-M257 WeakPolarHBondContact O-CG 3.15Å; K253-M257 PolarHBondContact O-N 2.99Å
254A98.1Very high96.9Very high68 Ų6880.2 Ų80.256%0.56243%0.429SS*.Hα-helixtrans-62-45.517900000112.2E250 V251 M257E250-A254 PolarHBondContact O-N 3.37Å; V251-A254 PolarHBondContact O-N 3.05Å; A254-M257 PolarHBondContact O-N 3.44Å
255I97.9Very high96.8Very high61 Ų6180.1 Ų80.131%0.31342%0.421SS..Hα-helixtrans-62.3-45.9176-69.3171.2000110.9V251 M257 D258 I261 L266V251-I255 HydrophobicContact CG1-CD1 3.72Å; V251-I255 HydrophobicContact CG1-CG1 4.39Å; V251-I255 WeakPolarHBondContact O-CG1 3.44Å; V251-I255 PolarHBondContact O-N 3.43Å; I255-M257 PolarHBondContact O-N 3.27Å; I255-D258 PolarHBondContact O-N 2.73Å; I255-I261 HydrophobicContact CG2-CD1 3.83Å; I255-I261 HydrophobicContact CG2-CG2 3.92Å; I255-L266 HydrophobicContact CG2-CD1 4.14Å
256G97.5Very high97Very high10 Ų1078.9 Ų78.910%0.10340%0.403CS..Hα-helixtrans-70.8-13.3-175.100000115.2A252 K253 D258 G262 S263A252-G256 PolarHBondContact O-N 2.8Å; K253-G256 PolarHBondContact O-N 3.45Å; G256-D258 VanDerWaalsContact C-N 3.31Å; G256-G262 CarbonylContact O-C 3.48Å; G256-S263 PolarHBondContact O-N 2.91Å
257M97.3Very high97Very high146 Ų14681.4 Ų81.472%0.71941%0.407SS*.THydrogen-bonded Turntrans-73.6-22.2173.5-76-179.773.100112.8K253 A254 I255 Q259K253-M257 WeakPolarHBondContact O-CG 3.15Å; K253-M257 PolarHBondContact O-N 2.99Å; A254-M257 PolarHBondContact O-N 3.44Å; I255-M257 PolarHBondContact O-N 3.27Å; M257-Q259 PolarHBondContact O-N 3.14Å
258D98.3Very high97Very high52 Ų5280.5 Ų80.528%0.27840%0.402SS..SBendtrans-72113170.7-169.7-35.6000109.4I255 G256 R260 I261 G262I255-D258 PolarHBondContact O-N 2.73Å; G256-D258 VanDerWaalsContact C-N 3.31Å; D258-R260 PolarHBondContact O-N 2.87Å; D258-R260 VanDerWaalsContact O-N 3.12Å; D258-R260 VanDerWaalsContact OD1-CB 3.27Å; D258-R260 WeakPolarHBondContact OD1-CB 3.43Å; D258-R260 WeakPolarHBondContact OD1-CG 3.34Å; D258-R260 IonicContact OD1-CZ 2.86Å; D258-R260 PolarHBondContact OD1-N 3.4Å; D258-R260 IonicContact OD1-NE 2.7Å; D258-R260 PolarHBondContact OD1-NE 3.33Å; D258-R260 IonicContact OD1-NH2 2.89Å; D258-R260 IonicContact OD2-CZ 3.99Å; D258-R260 IonicContact OD2-NE 3.91Å; D258-R260 PolarHBondContact OD2-NE 2.96Å; D258-R260 IonicContact OD2-NH2 3.09Å; D258-R260 PolarHBondContact OD2-NH2 3.01Å; D258-I261 HydrophobicContact CB-CD1 4.24Å; D258-I261 HydrophobicContact CB-CG1 4.33Å; D258-I261 PolarHBondContact O-N 2.83Å; D258-G262 PolarHBondContact O-N 2.87Å
259Q96.4Very high97Very high188 Ų18881 Ų8188%0.87941%0.406SS*.THydrogen-bonded Turntrans-62.1-21.2-176.6-65.3-175.64.300113.7M257 I261M257-Q259 PolarHBondContact O-N 3.14Å; Q259-I261 PolarHBondContact O-N 2.95Å
260R97.1Very high97Very high218 Ų21878.5 Ų78.582%0.82339%0.394SS*.THydrogen-bonded Turntrans-71.3-23175-57.3172.1-65.6174.11.9112D258D258-R260 PolarHBondContact O-N 2.87Å; D258-R260 VanDerWaalsContact O-N 3.12Å; D258-R260 VanDerWaalsContact OD1-CB 3.27Å; D258-R260 WeakPolarHBondContact OD1-CB 3.43Å; D258-R260 WeakPolarHBondContact OD1-CG 3.34Å; D258-R260 IonicContact OD1-CZ 2.86Å; D258-R260 PolarHBondContact OD1-N 3.4Å; D258-R260 IonicContact OD1-NE 2.7Å; D258-R260 PolarHBondContact OD1-NE 3.33Å; D258-R260 IonicContact OD1-NH2 2.89Å; D258-R260 IonicContact OD2-CZ 3.99Å; D258-R260 IonicContact OD2-NE 3.91Å; D258-R260 PolarHBondContact OD2-NE 2.96Å; D258-R260 IonicContact OD2-NH2 3.09Å; D258-R260 PolarHBondContact OD2-NH2 3.01Å
261I96.9Very high96.8Very high72 Ų7271.6 Ų71.637%0.36936%0.362SS..THydrogen-bonded Turntrans-98.5-45.2176.2-56.4176.8000110.1R230 I255 D258 Q259 L266R230-I261 PolarHBondContact NH1-O 3.27Å; R230-I261 PolarHBondContact NH2-O 3.28Å; R230-I261 VanDerWaalsContact NH2-O 3.07Å; I255-I261 HydrophobicContact CG2-CD1 3.83Å; I255-I261 HydrophobicContact CG2-CG2 3.92Å; D258-I261 HydrophobicContact CB-CD1 4.24Å; D258-I261 HydrophobicContact CB-CG1 4.33Å; D258-I261 PolarHBondContact O-N 2.83Å; Q259-I261 PolarHBondContact O-N 2.95Å; I261-L266 HydrophobicContact CG2-CD1 4.47Å
262G95.9Very high96.6Very high25 Ų2569.9 Ų69.926%0.25835%0.351SS..  trans73.6159.5-174.900000113.5R230 G256 D258 L266R230-G262 PolarHBondContact NH2-O 2.94Å; G256-G262 CarbonylContact O-C 3.48Å; D258-G262 PolarHBondContact O-N 2.87Å; G262-L266 WeakPolarHBondContact O-CD1 3.48Å
263S95.3Very high96.1Very high92 Ų9269.9 Ų69.964%0.64335%0.352SS*.SBendtrans-89.4-11.2-171.557.40000115.4G256G256-S263 PolarHBondContact O-N 2.91Å
264K94.6Very high95.4Very high156 Ų15662.9 Ų62.968%0.67832%0.322SS*.THydrogen-bonded Turntrans-76.9153.7-176.7-62.9-175179.7-179.10111.8R230 L266R230-K264 PolarHBondContact NE-O 3.49Å; R230-K264 VanDerWaalsContact NE-O 3.09Å; R230-K264 PolarHBondContact NH2-O 3.39Å; K264-L266 PolarHBondContact O-N 3.01Å
265F94.1Very high94.4Very high87 Ų8761.8 Ų61.838%0.38231%0.31SS..THydrogen-bonded Turntrans58.226.7176.5-83.1-106000114.6L227 R230 I231 F277L227-F265 HydrophobicContact CB-CD1 4.06Å; L227-F265 HydrophobicContact CB-CE1 3.97Å; L227-F265 HydrophobicContact CD1-CZ 4.34Å; L227-F265 HydrophobicContact CD2-CD1 3.92Å; L227-F265 HydrophobicContact CD2-CD2 3.83Å; L227-F265 HydrophobicContact CD2-CE1 4.02Å; L227-F265 HydrophobicContact CD2-CE2 3.91Å; L227-F265 HydrophobicContact CD2-CG 3.85Å; L227-F265 HydrophobicContact CD2-CZ 4.01Å; L227-F265 HydrophobicContact CG-CE1 4.38Å; R230-F265 HydrophobicContact CB-CB 4.21Å; R230-F265 WeakPolarHBondContact CB-O 3.41Å; I231-F265 HydrophobicContact CD1-CD1 3.77Å; I231-F265 HydrophobicContact CD1-CE1 4.06Å; I231-F265 HydrophobicContact CG1-CD1 3.96Å; F265-F277 HydrophobicContact CE1-CE2 4.1Å; F265-F277 AromaticContact CE1-CZ 3.67Å; F265-F277 HydrophobicContact CE1-CZ 3.67Å; F265-F277 HydrophobicContact CZ-CZ 4.27Å
266L97.1Very high93.7Very high21 Ų2160.7 Ų60.711%0.1131%0.308CS..  trans-110.924.9175.5-63.7178.4000112.3A252 I255 I261 G262 K264A252-L266 HydrophobicContact CB-CB 4.32Å; A252-L266 WeakPolarHBondContact CB-O 3.33Å; I255-L266 HydrophobicContact CG2-CD1 4.14Å; I261-L266 HydrophobicContact CG2-CD1 4.47Å; G262-L266 WeakPolarHBondContact O-CD1 3.48Å; K264-L266 PolarHBondContact O-N 3.01Å
267K96.4Very high93.3Very high92 Ų9261.9 Ų61.940%0.431%0.31SS..  trans-91.6112.6177.2-17258.8169.6170.10109.3E249 R447E249-K267 VanDerWaalsContact OE1-CD 3.26Å; E249-K267 WeakPolarHBondContact OE1-CD 3.49Å; E249-K267 IonicContact OE1-NZ 3.56Å; E249-K267 PolarHBondContact OE1-NZ 3.19Å; E249-K267 IonicContact OE2-NZ 3.02Å; E249-K267 PolarHBondContact OE2-NZ 3.4Å; K267-R447 VanDerWaalsContact NZ-CB 3.3Å
268A97.3Very high93Very high1 Ų155.7 Ų55.71%0.00828%0.28CS..  trans-65.7143.2175.500000110.6I234 N235 V248 I466I234-A268 HydrophobicContact CG2-CB 4.5Å; N235-A268 VanDerWaalsContact OD1-CA 3.31Å; N235-A268 WeakPolarHBondContact OD1-CA 3.31Å; V248-A268 HydrophobicContact CG1-CB 3.86Å; V248-A268 HydrophobicContact CG2-CB 3.97Å; A268-I466 HydrophobicContact CB-CG2 4.22Å
269S97.4Very high92.6Very high11 Ų1155.1 Ų55.18%0.07728%0.275CS..  trans-151.5173.9-178.660.80000111.2N235 G271 Q310 G445N235-S269 PolarHBondContact ND2-O 3.3Å; N235-S269 PolarHBondContact OD1-N 2.84Å; N235-S269 PolarHBondContact OD1-O 3.19Å; S269-G271 PolarHBondContact O-N 3.44Å; S269-G271 VanDerWaalsContact O-N 3.12Å; S269-G271 PolarHBondContact OG-N 3.03Å; S269-Q310 WeakPolarHBondContact O-CG 3.39Å; S269-Q310 PolarHBondContact O-NE2 3.08Å; S269-G445 CarbonylContact C-O 3.51Å; S269-G445 WeakPolarHBondContact CA-O 3.49Å
270V96.9Very high92.3Very high0 Ų046.3 Ų46.30%023%0.233CC..SBendtrans-59.6-18.1173.264.60000113.2Q310 R311 F314 I355 G445 I466V270-Q310 WeakPolarHBondContact O-CG 3.32Å; V270-R311 WeakPolarHBondContact O-CG 3.45Å; V270-R311 PolarHBondContact O-N 2.73Å; V270-F314 HydrophobicContact CB-CD1 4.38Å; V270-F314 HydrophobicContact CG2-CB 4.03Å; V270-F314 HydrophobicContact CG2-CD1 3.44Å; V270-F314 VanDerWaalsContact CG2-CD1 3.44Å; V270-F314 HydrophobicContact CG2-CE1 4.02Å; V270-F314 HydrophobicContact CG2-CG 3.83Å; V270-I355 HydrophobicContact CG2-CD1 3.74Å; V270-I355 HydrophobicContact CG2-CG1 3.72Å; V270-G445 PolarHBondContact N-O 2.74Å; V270-I466 HydrophobicContact CB-CD1 3.97Å
271G95.4Very high92.2Very high0 Ų035.9 Ų35.90%019%0.194CC..  trans150148.4176.300000109.7S269 N307 S351S269-G271 PolarHBondContact O-N 3.44Å; S269-G271 VanDerWaalsContact O-N 3.12Å; S269-G271 PolarHBondContact OG-N 3.03Å; G271-N307 WeakPolarHBondContact CA-OD1 3.31Å; G271-S351 VanDerWaalsContact C-OG 3.28Å; G271-S351 PolarHBondContact O-OG 2.87Å
272F93.4Very high92.1Very high8 Ų833.5 Ų33.54%0.03518%0.182CC..  trans-68.7156.7171.366.6-104.7000110.3A228 I231 S232 F277 Q278 V303 I304 N307 R311A228-F272 HydrophobicContact CB-CE1 4.19Å; A228-F272 HydrophobicContact CB-CZ 4.27Å; I231-F272 HydrophobicContact CB-CD1 4.29Å; I231-F272 HydrophobicContact CD1-CB 3.84Å; I231-F272 HydrophobicContact CG2-CB 4.12Å; I231-F272 HydrophobicContact CG2-CD1 4.18Å; S232-F272 WeakPolarHBondContact OG-CE1 3.28Å; F272-F277 HydrophobicContact CB-CD2 4.14Å; F272-F277 HydrophobicContact CD2-CB 3.61Å; F272-F277 AromaticContact CD2-CD2 4Å; F272-F277 HydrophobicContact CD2-CD2 4Å; F272-F277 HydrophobicContact CD2-CG 4.29Å; F272-F277 HydrophobicContact CE2-CB 3.6Å; F272-F277 HydrophobicContact CG-CB 4.45Å; F272-F277 HydrophobicContact CG-CD2 4.21Å; F272-F277 HydrophobicContact CZ-CB 4.4Å; F272-Q278 HydrophobicContact CE2-CB 4.21Å; F272-V303 HydrophobicContact CE1-CG1 4.24Å; F272-V303 HydrophobicContact CZ-CG1 4.47Å; F272-I304 HydrophobicContact CZ-CD1 3.98Å; F272-N307 HydrophobicContact CD1-CB 4.1Å; F272-N307 VanDerWaalsContact CD1-OD1 3.31Å; F272-N307 WeakPolarHBondContact CD1-OD1 3.25Å; F272-N307 HydrophobicContact CE1-CB 3.52Å; F272-N307 VanDerWaalsContact CE1-CG 3.4Å; F272-N307 HydrophobicContact CZ-CB 3.82Å; F272-N307 PolarHBondContact N-OD1 2.82Å; F272-N307 PolarHBondContact O-ND2 3Å; F272-R311 PolarHBondContact O-NH2 3.1Å
273G88.2Confident91.9Very high9 Ų932.8 Ų32.89%0.09317%0.172CC..  trans-143.4-160.7174.500000111.7E349G273-E349 WeakPolarHBondContact CA-O 3.41Å
274G82.4Confident91.9Very high3 Ų329 Ų293%0.03114%0.144CC..SBendtrans87.8169.8-178.600000113.4C276G274-C276 VanDerWaalsContact C-N 3.27Å; G274-C276 PolarHBondContact O-N 3.46Å
275S76.8Confident91.9Very high46 Ų4621.6 Ų21.632%0.32211%0.112SC..THydrogen-bonded Turntrans-75.8-14.3-165.556.60000114.3K279S275-K279 WeakPolarHBondContact O-CB 3.47Å; S275-K279 WeakPolarHBondContact O-CE 3.5Å
276C82.4Confident92Very high38 Ų3820.7 Ų20.726%0.25711%0.107SC..THydrogen-bonded Turntrans-96.8-60.5-169.7-65.90000112.4G274 Q278 K279 D280G274-C276 VanDerWaalsContact C-N 3.27Å; G274-C276 PolarHBondContact O-N 3.46Å; C276-Q278 PolarHBondContact O-N 3.05Å; C276-K279 PolarHBondContact O-N 3.21Å; C276-D280 VanDerWaalsContact O-CB 3.26Å; C276-D280 WeakPolarHBondContact O-CB 3.27Å; C276-D280 PolarHBondContact O-N 3.44Å
277F90.5Very high91.8Very high34 Ų3421 Ų2115%0.14911%0.108CC..Hα-helixtrans-59.3-54.5-165.1-66.9-34.1000114.6N224 L227 A228 I231 F265 F272 D280 V281N224-F277 HydrophobicContact CB-CD1 4.27Å; N224-F277 HydrophobicContact CB-CE1 4.48Å; N224-F277 WeakPolarHBondContact O-CD1 3.46Å; L227-F277 HydrophobicContact CB-CE1 3.7Å; L227-F277 HydrophobicContact CB-CZ 3.99Å; L227-F277 HydrophobicContact CD1-CE1 4.14Å; L227-F277 HydrophobicContact CD1-CZ 4.44Å; A228-F277 HydrophobicContact CB-CB 3.92Å; A228-F277 HydrophobicContact CB-CD1 4.12Å; A228-F277 HydrophobicContact CB-CG 4Å; I231-F277 HydrophobicContact CD1-CE2 4.1Å; F265-F277 HydrophobicContact CE1-CE2 4.1Å; F265-F277 AromaticContact CE1-CZ 3.67Å; F265-F277 HydrophobicContact CE1-CZ 3.67Å; F265-F277 HydrophobicContact CZ-CZ 4.27Å; F272-F277 HydrophobicContact CB-CD2 4.14Å; F272-F277 HydrophobicContact CD2-CB 3.61Å; F272-F277 AromaticContact CD2-CD2 4Å; F272-F277 HydrophobicContact CD2-CD2 4Å; F272-F277 HydrophobicContact CD2-CG 4.29Å; F272-F277 HydrophobicContact CE2-CB 3.6Å; F272-F277 HydrophobicContact CG-CB 4.45Å; F272-F277 HydrophobicContact CG-CD2 4.21Å; F272-F277 HydrophobicContact CZ-CB 4.4Å; F277-D280 PolarHBondContact O-N 2.69Å; F277-V281 WeakPolarHBondContact O-CB 3.21Å; F277-V281 VanDerWaalsContact O-CG2 3.3Å; F277-V281 WeakPolarHBondContact O-CG2 3.26Å; F277-V281 PolarHBondContact O-N 2.86Å
278Q90.9Very high91.8Very high17 Ų1717 Ų178%0.0799%0.092CC..Hα-helixtrans-64.7-45.5-178-174.1168.3-55.700111.2F272 C276 D280 L282 I304 E349F272-Q278 HydrophobicContact CE2-CB 4.21Å; C276-Q278 PolarHBondContact O-N 3.05Å; Q278-D280 PolarHBondContact O-N 2.79Å; Q278-L282 HydrophobicContact CG-CD1 3.84Å; Q278-L282 HydrophobicContact CG-CG 4.43Å; Q278-L282 WeakPolarHBondContact O-CB 3.46Å; Q278-L282 VanDerWaalsContact O-CG 3.23Å; Q278-L282 WeakPolarHBondContact O-CG 3.21Å; Q278-L282 PolarHBondContact O-N 2.99Å; Q278-I304 HydrophobicContact CB-CD1 4.34Å; Q278-I304 HydrophobicContact CG-CD1 4.02Å; Q278-E349 HydrophobicContact CB-CG 4.34Å; Q278-E349 PolarHBondContact NE2-OE1 3.35Å; Q278-E349 PolarHBondContact NE2-OE2 3.15Å; Q278-E349 PolarHBondContact OE1-OE2 3.22Å; Q278-E349 VanDerWaalsContact OE1-OE2 3.14Å
279K89Confident91.7Very high40 Ų4020.6 Ų20.617%0.17411%0.109CC..Hα-helixtrans-57.1-48.8177.6-175.9-169.665.6163.40111.4T131 S275 C276 L282 N283T131-K279 PolarHBondContact O-NZ 3.1Å; S275-K279 WeakPolarHBondContact O-CB 3.47Å; S275-K279 WeakPolarHBondContact O-CE 3.5Å; C276-K279 PolarHBondContact O-N 3.21Å; K279-L282 PolarHBondContact O-N 3.05Å; K279-N283 WeakPolarHBondContact O-CB 2.88Å; K279-N283 PolarHBondContact O-N 2.87Å; K279-N283 PolarHBondContact O-ND2 2.81Å
280D90.6Very high91.6Very high2 Ų223.1 Ų23.11%0.01113%0.13CC..Hα-helixtrans-72.5-39.4-172.6-63.9-16.8000111.8T131 L221 N224 C276 F277 Q278 N283 L284T131-D280 VanDerWaalsContact CG2-OD1 3.24Å; T131-D280 WeakPolarHBondContact CG2-OD1 3.4Å; T131-D280 VanDerWaalsContact CG2-OD2 3.28Å; T131-D280 WeakPolarHBondContact CG2-OD2 3.39Å; L221-D280 HydrophobicContact CD2-CB 3.86Å; N224-D280 HydrophobicContact CB-CB 4.27Å; N224-D280 PolarHBondContact ND2-OD2 2.91Å; C276-D280 VanDerWaalsContact O-CB 3.26Å; C276-D280 WeakPolarHBondContact O-CB 3.27Å; C276-D280 PolarHBondContact O-N 3.44Å; F277-D280 PolarHBondContact O-N 2.69Å; Q278-D280 PolarHBondContact O-N 2.79Å; D280-N283 PolarHBondContact O-N 3.01Å; D280-L284 WeakPolarHBondContact O-CB 3.41Å; D280-L284 PolarHBondContact O-N 3.29Å
281V94.4Very high91.5Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-64.6-44.6174174.20000110.4A225 A228 F277 N283 L284 V285 W300 V303 I304A225-V281 HydrophobicContact CB-CG2 3.96Å; A228-V281 HydrophobicContact CB-CG2 4.14Å; F277-V281 WeakPolarHBondContact O-CB 3.21Å; F277-V281 VanDerWaalsContact O-CG2 3.3Å; F277-V281 WeakPolarHBondContact O-CG2 3.26Å; F277-V281 PolarHBondContact O-N 2.86Å; V281-N283 VanDerWaalsContact C-N 3.32Å; V281-N283 PolarHBondContact O-N 3.34Å; V281-L284 WeakPolarHBondContact O-CB 3.32Å; V281-L284 PolarHBondContact O-N 3.03Å; V281-L284 VanDerWaalsContact O-N 3.14Å; V281-V285 HydrophobicContact CG1-CG2 4.43Å; V281-V285 VanDerWaalsContact O-CG2 3.3Å; V281-V285 WeakPolarHBondContact O-CG2 3.41Å; V281-V285 PolarHBondContact O-N 3.36Å; V281-W300 HydrophobicContact CG1-CB 4.43Å; V281-W300 WeakPolarHBondContact CG1-O 3.35Å; V281-V303 HydrophobicContact CG1-CB 4.31Å; V281-V303 HydrophobicContact CG2-CG1 4.4Å; V281-I304 HydrophobicContact CB-CD1 3.84Å; V281-I304 HydrophobicContact CB-CG1 4.24Å; V281-I304 HydrophobicContact CG1-CD1 3.8Å; V281-I304 HydrophobicContact CG1-CG1 3.71Å; V281-I304 HydrophobicContact CG2-CD1 4.49Å
282L94.3Very high91.6Very high22 Ų2234.7 Ų34.712%0.11519%0.192CC..Hα-helixtrans-64.7-35.3176.8-70.1173.6000112.6R102 Q278 K279 Y286 I304R102-L282 HydrophobicContact CB-CB 4.28Å; R102-L282 HydrophobicContact CG-CB 4.43Å; R102-L282 HydrophobicContact CG-CD2 4.27Å; Q278-L282 HydrophobicContact CG-CD1 3.84Å; Q278-L282 HydrophobicContact CG-CG 4.43Å; Q278-L282 WeakPolarHBondContact O-CB 3.46Å; Q278-L282 VanDerWaalsContact O-CG 3.23Å; Q278-L282 WeakPolarHBondContact O-CG 3.21Å; Q278-L282 PolarHBondContact O-N 2.99Å; K279-L282 PolarHBondContact O-N 3.05Å; L282-Y286 WeakPolarHBondContact O-CB 3.28Å; L282-Y286 PolarHBondContact O-N 2.88Å; L282-I304 HydrophobicContact CD2-CG1 4.12Å; L282-I304 HydrophobicContact CG-CG1 4.29Å
283N92.3Very high91.8Very high9 Ų938 Ų385%0.04821%0.21CC..Hα-helixtrans-65.5-40.8171.8-87.4-83.4000111.6R102 A104 K279 D280 V281 Y286 L287R102-N283 PolarHBondContact O-ND2 3.39Å; A104-N283 VanDerWaalsContact CB-OD1 3.28Å; A104-N283 WeakPolarHBondContact CB-OD1 3.45Å; A104-N283 PolarHBondContact N-OD1 2.77Å; K279-N283 WeakPolarHBondContact O-CB 2.88Å; K279-N283 PolarHBondContact O-N 2.87Å; K279-N283 PolarHBondContact O-ND2 2.81Å; D280-N283 PolarHBondContact O-N 3.01Å; V281-N283 VanDerWaalsContact C-N 3.32Å; V281-N283 PolarHBondContact O-N 3.34Å; N283-Y286 PolarHBondContact O-N 2.75Å; N283-L287 WeakPolarHBondContact O-CB 3.08Å; N283-L287 PolarHBondContact O-N 3.39Å
284L94.4Very high92.2Very high12 Ų1240.9 Ų40.96%0.06323%0.227CC..Hα-helixtrans-63.6-44175.6179.761000111.6L218 A225 D280 V281 L287 C288 W300L218-L284 HydrophobicContact CD1-CD1 4.5Å; A225-L284 HydrophobicContact CB-CD2 3.87Å; D280-L284 WeakPolarHBondContact O-CB 3.41Å; D280-L284 PolarHBondContact O-N 3.29Å; V281-L284 WeakPolarHBondContact O-CB 3.32Å; V281-L284 PolarHBondContact O-N 3.03Å; V281-L284 VanDerWaalsContact O-N 3.14Å; L284-L287 PolarHBondContact O-N 3.5Å; L284-C288 PolarHBondContact O-N 2.54Å; L284-C288 PolarHBondContact O-SG 3.11Å; L284-W300 HydrophobicContact CD2-CB 4.48Å; L284-W300 HydrophobicContact CD2-CD2 3.82Å; L284-W300 HydrophobicContact CD2-CG 3.76Å; L284-W300 HydrophobicContact CG-CG 4.36Å
285V96.4Very high93Very high1 Ų147.6 Ų47.61%0.00626%0.257CS..Hα-helixtrans-58.3-50.4174.3171.20000110.3V281 L287 C288 E289 A297 W300 Q301V281-V285 HydrophobicContact CG1-CG2 4.43Å; V281-V285 VanDerWaalsContact O-CG2 3.3Å; V281-V285 WeakPolarHBondContact O-CG2 3.41Å; V281-V285 PolarHBondContact O-N 3.36Å; V285-L287 VanDerWaalsContact C-N 3.33Å; V285-L287 PolarHBondContact O-N 2.83Å; V285-C288 WeakPolarHBondContact O-CB 3.4Å; V285-C288 PolarHBondContact O-N 3.42Å; V285-E289 PolarHBondContact O-N 3.39Å; V285-A297 HydrophobicContact CG1-CB 4.14Å; V285-W300 HydrophobicContact CG2-CB 3.88Å; V285-Q301 HydrophobicContact CG2-CB 4.22Å
286Y95.4Very high94Very high68 Ų6848.2 Ų48.227%0.26726%0.259SS..Hα-helixtrans-61.7-39.5178.8-179.7-105.5000112.6A103 L282 N283 E289 A290A103-Y286 HydrophobicContact CB-CD1 3.53Å; A103-Y286 HydrophobicContact CB-CD2 4.47Å; A103-Y286 HydrophobicContact CB-CE1 3.48Å; A103-Y286 VanDerWaalsContact CB-CE1 3.48Å; A103-Y286 HydrophobicContact CB-CE2 4.44Å; A103-Y286 HydrophobicContact CB-CG 4.03Å; L282-Y286 WeakPolarHBondContact O-CB 3.28Å; L282-Y286 PolarHBondContact O-N 2.88Å; N283-Y286 PolarHBondContact O-N 2.75Å; Y286-E289 PolarHBondContact O-N 3.04Å; Y286-A290 WeakPolarHBondContact O-CB 3.4Å; Y286-A290 PolarHBondContact O-N 3.24Å
287L93.6Very high94.8Very high27 Ų2746.5 Ų46.514%0.14125%0.248CC..Hα-helixtrans-61.9-44.6174.917765.4000111.4V134 N283 L284 V285 E289 A290 L291V134-L287 HydrophobicContact CB-CD1 4.43Å; V134-L287 HydrophobicContact CB-CD2 3.69Å; V134-L287 HydrophobicContact CG1-CD2 4.36Å; V134-L287 HydrophobicContact CG2-CD2 3.42Å; V134-L287 VanDerWaalsContact CG2-CD2 3.42Å; N283-L287 WeakPolarHBondContact O-CB 3.08Å; N283-L287 PolarHBondContact O-N 3.39Å; L284-L287 PolarHBondContact O-N 3.5Å; V285-L287 VanDerWaalsContact C-N 3.33Å; V285-L287 PolarHBondContact O-N 2.83Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-E289 PolarHBondContact O-N 3.46Å; L287-A290 PolarHBondContact O-N 3.12Å; L287-L291 HydrophobicContact CD1-CD1 3.9Å; L287-L291 HydrophobicContact CD1-CG 4.24Å; L287-L291 HydrophobicContact CG-CD1 4Å; L287-L291 WeakPolarHBondContact O-CB 3.05Å; L287-L291 WeakPolarHBondContact O-CG 3.27Å; L287-L291 PolarHBondContact O-N 3.28Å
288C96.2Very high95.1Very high9 Ų948.5 Ų48.56%0.06127%0.265CS..Hα-helixtrans-61.2-43.9177.5-66.10000111.2L284 V285 L291 N292 L293 V296 A297L284-C288 PolarHBondContact O-N 2.54Å; L284-C288 PolarHBondContact O-SG 3.11Å; V285-C288 WeakPolarHBondContact O-CB 3.4Å; V285-C288 PolarHBondContact O-N 3.42Å; C288-L291 CarbonylContact O-C 3.45Å; C288-L291 PolarHBondContact O-N 3.32Å; C288-N292 PolarHBondContact O-N 3.33Å; C288-L293 HydrophobicContact CB-CB 4.28Å; C288-L293 PolarHBondContact O-N 3.09Å; C288-V296 HydrophobicContact CB-CB 4.38Å; C288-V296 VanDerWaalsContact SG-CG1 3.59Å; C288-A297 HydrophobicContact CB-CB 3.79Å
289E95.4Very high95.5Very high76 Ų7654 Ų5436%0.35529%0.286SS..Hα-helixtrans-60.6-45.7174.6-70.5175.8-175.600112.2R102 V285 Y286 L287 L291 N292 A297R102-E289 IonicContact CZ-OE1 3.74Å; R102-E289 IonicContact CZ-OE2 3.66Å; R102-E289 IonicContact NH1-OE1 2.81Å; R102-E289 PolarHBondContact NH1-OE1 3.25Å; R102-E289 IonicContact NH1-OE2 3.03Å; R102-E289 PolarHBondContact NH1-OE2 3.03Å; R102-E289 IonicContact NH2-OE1 3.81Å; R102-E289 IonicContact NH2-OE2 3.42Å; R102-E289 PolarHBondContact NH2-OE2 3.38Å; V285-E289 PolarHBondContact O-N 3.39Å; Y286-E289 PolarHBondContact O-N 3.04Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-E289 PolarHBondContact O-N 3.46Å; E289-L291 PolarHBondContact O-N 3.35Å; E289-N292 PolarHBondContact O-N 3.11Å; E289-A297 HydrophobicContact CG-CB 3.82Å
290A94.1Very high96Very high64 Ų6453.3 Ų53.353%0.52928%0.283SS..Hα-helixtrans-64.5-24.917900000113.1Y286 L287Y286-A290 WeakPolarHBondContact O-CB 3.4Å; Y286-A290 PolarHBondContact O-N 3.24Å; L287-A290 PolarHBondContact O-N 3.12Å
291L94.6Very high96.3Very high102 Ų10255.3 Ų55.353%0.53429%0.292SS..THydrogen-bonded Turntrans-93.49.7175-66.3175000113.3L287 C288 E289 L293L287-L291 HydrophobicContact CD1-CD1 3.9Å; L287-L291 HydrophobicContact CD1-CG 4.24Å; L287-L291 HydrophobicContact CG-CD1 4Å; L287-L291 WeakPolarHBondContact O-CB 3.05Å; L287-L291 WeakPolarHBondContact O-CG 3.27Å; L287-L291 PolarHBondContact O-N 3.28Å; C288-L291 CarbonylContact O-C 3.45Å; C288-L291 PolarHBondContact O-N 3.32Å; E289-L291 PolarHBondContact O-N 3.35Å; L291-L293 HydrophobicContact CB-CD1 4.36Å; L291-L293 HydrophobicContact CB-CG 4.44Å
292N97.4Very high96.6Very high141 Ų14160.7 Ų60.775%0.75432%0.317SS*.THydrogen-bonded Turntrans58.342.2-177.2-60.4-40.2000114C288 E289 P294C288-N292 PolarHBondContact O-N 3.33Å; E289-N292 PolarHBondContact O-N 3.11Å; N292-P294 VanDerWaalsContact O-CD 3.27Å; N292-P294 WeakPolarHBondContact O-CD 3.37Å
293L98.1Very high96.8Very high79 Ų7959.9 Ų59.941%0.41431%0.313SS..  trans-11665.8175.6-61.5174.2000111.4C288 L291 E295 V296 A297C288-L293 HydrophobicContact CB-CB 4.28Å; C288-L293 PolarHBondContact O-N 3.09Å; L291-L293 HydrophobicContact CB-CD1 4.36Å; L291-L293 HydrophobicContact CB-CG 4.44Å; L293-E295 VanDerWaalsContact C-N 3.32Å; L293-E295 PolarHBondContact O-N 3.32Å; L293-V296 HydrophobicContact CB-CB 4.22Å; L293-V296 HydrophobicContact CB-CG2 4.17Å; L293-V296 PolarHBondContact O-N 3.46Å; L293-A297 PolarHBondContact O-N 3.11Å
294P97.5Very high97Very high69 Ų6959.6 Ų59.645%0.44831%0.312SS..Hα-helixtrans-65.8-28.7-172.127.1-34.8000114.2N292 S298N292-P294 VanDerWaalsContact O-CD 3.27Å; N292-P294 WeakPolarHBondContact O-CD 3.37Å; P294-S298 WeakPolarHBondContact O-CB 3.37Å; P294-S298 PolarHBondContact O-N 2.85Å; P294-S298 PolarHBondContact O-OG 3.2Å
295E98.6Very high97.2Very high143 Ų14361.9 Ų61.967%0.66832%0.324SS*.Hα-helixtrans-68.2-41.9177-59.580.4-178.200110.9L293 S298 Y299L293-E295 VanDerWaalsContact C-N 3.32Å; L293-E295 PolarHBondContact O-N 3.32Å; E295-S298 PolarHBondContact O-N 3.05Å; E295-Y299 PolarHBondContact O-N 2.65Å
296V98.5Very high97.3Very high59 Ų5964.1 Ų64.136%0.35834%0.335SS..Hα-helixtrans-68.8-40.3177.4-173.80000110.5C288 L293 Y299 W300C288-V296 HydrophobicContact CB-CB 4.38Å; C288-V296 VanDerWaalsContact SG-CG1 3.59Å; L293-V296 HydrophobicContact CB-CB 4.22Å; L293-V296 HydrophobicContact CB-CG2 4.17Å; L293-V296 PolarHBondContact O-N 3.46Å; V296-Y299 PolarHBondContact O-N 3.41Å; V296-W300 VanDerWaalsContact O-CD1 3.25Å; V296-W300 PolarHBondContact O-N 3.42Å
297A98.1Very high97.4Very high3 Ų360.9 Ų60.93%0.02532%0.322CS..Hα-helixtrans-58.1-49.3173.600000111V285 C288 E289 L293 Y299 W300 Q301V285-A297 HydrophobicContact CG1-CB 4.14Å; C288-A297 HydrophobicContact CB-CB 3.79Å; E289-A297 HydrophobicContact CG-CB 3.82Å; L293-A297 PolarHBondContact O-N 3.11Å; A297-Y299 VanDerWaalsContact C-N 3.33Å; A297-Y299 PolarHBondContact O-N 2.81Å; A297-W300 PolarHBondContact O-N 2.9Å; A297-Q301 WeakPolarHBondContact O-CB 3.27Å; A297-Q301 PolarHBondContact O-N 3.35Å
298S98.4Very high97.5Very high75 Ų7564.1 Ų64.152%0.52434%0.337SS..Hα-helixtrans-63.3-37.5-179.2-59.10000112.4P294 E295 Q301 Q302P294-S298 WeakPolarHBondContact O-CB 3.37Å; P294-S298 PolarHBondContact O-N 2.85Å; P294-S298 PolarHBondContact O-OG 3.2Å; E295-S298 PolarHBondContact O-N 3.05Å; S298-Q301 PolarHBondContact O-N 2.92Å; S298-Q302 PolarHBondContact O-N 2.94Å
299Y98.8Very high97.6Very high132 Ų13269.1 Ų69.152%0.51836%0.355SS..Hα-helixtrans-60.4-48.8175.5177.7-94000112.4Q229 E295 V296 A297 Q302Q229-Y299 PolarHBondContact NE2-OH 3.35Å; E295-Y299 PolarHBondContact O-N 2.65Å; V296-Y299 PolarHBondContact O-N 3.41Å; A297-Y299 VanDerWaalsContact C-N 3.33Å; A297-Y299 PolarHBondContact O-N 2.81Å; Y299-Q302 WeakPolarHBondContact O-CB 3.24Å; Y299-Q302 PolarHBondContact O-N 3.42Å
300W98.5Very high97.7Very high26 Ų2665.5 Ų65.510%0.09834%0.338CS..Hα-helixtrans-74.3-28.8-179.2-70.8114.5000113A225 F226 Q229 V281 L284 V285 V296 A297 Q302 V303A225-W300 HydrophobicContact CB-CD2 4.48Å; A225-W300 HydrophobicContact CB-CE3 3.89Å; A225-W300 HydrophobicContact CB-CH2 4.22Å; A225-W300 HydrophobicContact CB-CZ3 3.74Å; F226-W300 AromaticContact CD2-CH2 3.77Å; F226-W300 HydrophobicContact CD2-CH2 3.77Å; F226-W300 HydrophobicContact CD2-CZ2 4.47Å; F226-W300 AromaticContact CE2-CH2 3.7Å; F226-W300 HydrophobicContact CE2-CH2 3.7Å; F226-W300 HydrophobicContact CE2-CZ2 4.06Å; F226-W300 HydrophobicContact CG-CH2 4.43Å; F226-W300 HydrophobicContact CZ-CH2 4.28Å; Q229-W300 HydrophobicContact CB-CZ3 4.27Å; V281-W300 HydrophobicContact CG1-CB 4.43Å; V281-W300 WeakPolarHBondContact CG1-O 3.35Å; L284-W300 HydrophobicContact CD2-CB 4.48Å; L284-W300 HydrophobicContact CD2-CD2 3.82Å; L284-W300 HydrophobicContact CD2-CG 3.76Å; L284-W300 HydrophobicContact CG-CG 4.36Å; V285-W300 HydrophobicContact CG2-CB 3.88Å; V296-W300 VanDerWaalsContact O-CD1 3.25Å; V296-W300 PolarHBondContact O-N 3.42Å; A297-W300 PolarHBondContact O-N 2.9Å; W300-Q302 PolarHBondContact O-N 3.44Å; W300-V303 HydrophobicContact CE3-CG2 4.06Å; W300-V303 HydrophobicContact CZ3-CG2 4.49Å; W300-V303 WeakPolarHBondContact O-CB 3.37Å; W300-V303 PolarHBondContact O-N 3.1Å
301Q98.4Very high97.9Very high45 Ų4562.5 Ų62.521%0.2131%0.313CS..Hα-helixtrans-58.2-34174.7-175.758.951.700112V285 A297 S298 V303 I304 D305V285-Q301 HydrophobicContact CG2-CB 4.22Å; A297-Q301 WeakPolarHBondContact O-CB 3.27Å; A297-Q301 PolarHBondContact O-N 3.35Å; S298-Q301 PolarHBondContact O-N 2.92Å; Q301-V303 PolarHBondContact O-N 3.47Å; Q301-V303 VanDerWaalsContact O-N 3.09Å; Q301-I304 PolarHBondContact O-N 2.84Å; Q301-D305 PolarHBondContact NE2-OD1 3.03Å; Q301-D305 PolarHBondContact O-N 3.36Å
302Q98.7Very high98Very high112 Ų11265.3 Ų65.352%0.52332%0.317SS..Hα-helixtrans-58-26.3176.4-68.2-57.2-66.700113.9S298 Y299 W300 I304 D305 M306S298-Q302 PolarHBondContact O-N 2.94Å; Y299-Q302 WeakPolarHBondContact O-CB 3.24Å; Y299-Q302 PolarHBondContact O-N 3.42Å; W300-Q302 PolarHBondContact O-N 3.44Å; Q302-I304 VanDerWaalsContact C-N 3.31Å; Q302-I304 PolarHBondContact O-N 3.19Å; Q302-D305 PolarHBondContact NE2-OD2 3.32Å; Q302-M306 VanDerWaalsContact O-CB 3.23Å; Q302-M306 WeakPolarHBondContact O-CB 3.34Å; Q302-M306 PolarHBondContact O-N 2.86Å
303V98.5Very high98Very high6 Ų660 Ų604%0.03629%0.286CS..Hα-helixtrans-64.7-39.3175.9178.70000110.7A228 Q229 S232 F272 V281 W300 Q301 N307A228-V303 HydrophobicContact CB-CG1 3.76Å; Q229-V303 HydrophobicContact CB-CG2 3.89Å; Q229-V303 HydrophobicContact CG-CG2 4.14Å; S232-V303 PolarHBondContact OG-O 2.94Å; F272-V303 HydrophobicContact CE1-CG1 4.24Å; F272-V303 HydrophobicContact CZ-CG1 4.47Å; V281-V303 HydrophobicContact CG1-CB 4.31Å; V281-V303 HydrophobicContact CG2-CG1 4.4Å; W300-V303 HydrophobicContact CE3-CG2 4.06Å; W300-V303 HydrophobicContact CZ3-CG2 4.49Å; W300-V303 WeakPolarHBondContact O-CB 3.37Å; W300-V303 PolarHBondContact O-N 3.1Å; Q301-V303 PolarHBondContact O-N 3.47Å; Q301-V303 VanDerWaalsContact O-N 3.09Å; V303-N307 PolarHBondContact O-N 2.94Å
304I97.2Very high98Very high2 Ų256.2 Ų56.21%0.0127%0.266CS..Hα-helixtrans-75.9-48.3177.4-56.9-50.2000110.6F272 Q278 V281 L282 Q301 Q302 M306 N307 E308F272-I304 HydrophobicContact CZ-CD1 3.98Å; Q278-I304 HydrophobicContact CB-CD1 4.34Å; Q278-I304 HydrophobicContact CG-CD1 4.02Å; V281-I304 HydrophobicContact CB-CD1 3.84Å; V281-I304 HydrophobicContact CB-CG1 4.24Å; V281-I304 HydrophobicContact CG1-CD1 3.8Å; V281-I304 HydrophobicContact CG1-CG1 3.71Å; V281-I304 HydrophobicContact CG2-CD1 4.49Å; L282-I304 HydrophobicContact CD2-CG1 4.12Å; L282-I304 HydrophobicContact CG-CG1 4.29Å; Q301-I304 PolarHBondContact O-N 2.84Å; Q302-I304 VanDerWaalsContact C-N 3.31Å; Q302-I304 PolarHBondContact O-N 3.19Å; I304-M306 PolarHBondContact O-N 2.87Å; I304-N307 WeakPolarHBondContact O-CA 3.03Å; I304-N307 WeakPolarHBondContact O-CB 3.39Å; I304-N307 PolarHBondContact O-N 3.17Å; I304-E308 HydrophobicContact CG2-CG 4.36Å; I304-E308 PolarHBondContact O-N 3.21Å
305D98.3Very high98Very high60 Ų6053 Ų5332%0.32125%0.245SC..Hα-helixtrans-56.7-40.4-178.2-60.4-8.5000111.2Q301 Q302 E308 Y309Q301-D305 PolarHBondContact NE2-OD1 3.03Å; Q301-D305 PolarHBondContact O-N 3.36Å; Q302-D305 PolarHBondContact NE2-OD2 3.32Å; D305-E308 PolarHBondContact O-N 3.08Å; D305-Y309 VanDerWaalsContact O-CB 3.32Å; D305-Y309 WeakPolarHBondContact O-CB 3.41Å; D305-Y309 PolarHBondContact O-N 2.81Å
306M98.6Very high97.9Very high48 Ų4848.6 Ų48.624%0.23623%0.23CC..Hα-helixtrans-67.3-35.1175.9-175.355.359.800112.8S232 S236 Q302 I304 Y309 Q310S232-M306 VanDerWaalsContact O-CG 3.3Å; S232-M306 WeakPolarHBondContact O-CG 3.44Å; S236-M306 WeakPolarHBondContact CB-SD 3.41Å; Q302-M306 VanDerWaalsContact O-CB 3.23Å; Q302-M306 WeakPolarHBondContact O-CB 3.34Å; Q302-M306 PolarHBondContact O-N 2.86Å; I304-M306 PolarHBondContact O-N 2.87Å; M306-Y309 HydrophobicContact SD-CD1 3.65Å; M306-Y309 HydrophobicContact SD-CE1 4.26Å; M306-Q310 WeakPolarHBondContact O-CB 3.2Å; M306-Q310 PolarHBondContact O-N 3.19Å
307N97.7Very high97.8Very high0 Ų046.2 Ų46.20%021%0.214CC..Hα-helixtrans-70.2-41.4177.1-166.654.1000111.6G271 F272 V303 I304 Q310 R311G271-N307 WeakPolarHBondContact CA-OD1 3.31Å; F272-N307 HydrophobicContact CD1-CB 4.1Å; F272-N307 VanDerWaalsContact CD1-OD1 3.31Å; F272-N307 WeakPolarHBondContact CD1-OD1 3.25Å; F272-N307 HydrophobicContact CE1-CB 3.52Å; F272-N307 VanDerWaalsContact CE1-CG 3.4Å; F272-N307 HydrophobicContact CZ-CB 3.82Å; F272-N307 PolarHBondContact N-OD1 2.82Å; F272-N307 PolarHBondContact O-ND2 3Å; V303-N307 PolarHBondContact O-N 2.94Å; I304-N307 WeakPolarHBondContact O-CA 3.03Å; I304-N307 WeakPolarHBondContact O-CB 3.39Å; I304-N307 PolarHBondContact O-N 3.17Å; N307-Q310 PolarHBondContact O-N 3.32Å; N307-R311 VanDerWaalsContact ND2-CZ 3.32Å; N307-R311 PolarHBondContact ND2-NH2 2.62Å; N307-R311 WeakPolarHBondContact O-CG 3.21Å; N307-R311 PolarHBondContact O-N 3.28Å; N307-R311 VanDerWaalsContact O-N 3.1Å
308E96.4Very high97.7Very high95 Ų9546 Ų4644%0.44421%0.213SC..Hα-helixtrans-64.4-44.1173.6-68.9-175.6178.600111.7I304 D305 Q310 R311 R312I304-E308 HydrophobicContact CG2-CG 4.36Å; I304-E308 PolarHBondContact O-N 3.21Å; D305-E308 PolarHBondContact O-N 3.08Å; E308-Q310 VanDerWaalsContact C-N 3.33Å; E308-Q310 PolarHBondContact O-N 3.1Å; E308-R311 PolarHBondContact O-N 3.36Å; E308-R312 WeakPolarHBondContact O-CB 3.46Å; E308-R312 PolarHBondContact O-N 3.14Å
309Y98.1Very high97.6Very high114 Ų11443.4 Ų43.445%0.44719%0.193SC..Hα-helixtrans-56.3-45.5172.7165.5-103.6000111.9A239 D305 M306 R311 R312 R313A239-Y309 HydrophobicContact CB-CE1 4.23Å; D305-Y309 VanDerWaalsContact O-CB 3.32Å; D305-Y309 WeakPolarHBondContact O-CB 3.41Å; D305-Y309 PolarHBondContact O-N 2.81Å; M306-Y309 HydrophobicContact SD-CD1 3.65Å; M306-Y309 HydrophobicContact SD-CE1 4.26Å; Y309-R311 PolarHBondContact O-N 3.49Å; Y309-R312 PolarHBondContact O-N 2.84Å; Y309-R313 HydrophobicContact CE2-CB 4.28Å; Y309-R313 WeakPolarHBondContact O-CB 3.47Å; Y309-R313 WeakPolarHBondContact O-CG 3.48Å; Y309-R313 PolarHBondContact O-N 2.99Å
310Q98.2Very high97.3Very high0 Ų039.8 Ų39.80%018%0.182CC..Hα-helixtrans-60.3-45.2178.5-174.979-8.500112.1N235 S238 S269 V270 M306 N307 E308 R313 F314N235-Q310 HydrophobicContact CB-CG 4.13Å; N235-Q310 PolarHBondContact O-OE1 3.32Å; N235-Q310 PolarHBondContact OD1-NE2 3.3Å; S238-Q310 PolarHBondContact OG-NE2 2.8Å; S269-Q310 WeakPolarHBondContact O-CG 3.39Å; S269-Q310 PolarHBondContact O-NE2 3.08Å; V270-Q310 WeakPolarHBondContact O-CG 3.32Å; M306-Q310 WeakPolarHBondContact O-CB 3.2Å; M306-Q310 PolarHBondContact O-N 3.19Å; N307-Q310 PolarHBondContact O-N 3.32Å; E308-Q310 VanDerWaalsContact C-N 3.33Å; E308-Q310 PolarHBondContact O-N 3.1Å; Q310-R313 VanDerWaalsContact CD-NH2 3.32Å; Q310-R313 WeakPolarHBondContact O-CG 3.28Å; Q310-R313 VanDerWaalsContact OE1-CZ 3.22Å; Q310-F314 WeakPolarHBondContact O-CB 3.48Å; Q310-F314 PolarHBondContact O-N 3.17Å
311R97.6Very high97Very high2 Ų239.3 Ų39.31%0.00818%0.183CC..Hα-helixtrans-62.3-49.9176.7-68.9168.4177.5167.7-0.4110.6V270 F272 N307 E308 Y309 F314 A315 E349 S351 Y354 I355 Y358V270-R311 WeakPolarHBondContact O-CG 3.45Å; V270-R311 PolarHBondContact O-N 2.73Å; F272-R311 PolarHBondContact O-NH2 3.1Å; N307-R311 VanDerWaalsContact ND2-CZ 3.32Å; N307-R311 PolarHBondContact ND2-NH2 2.62Å; N307-R311 WeakPolarHBondContact O-CG 3.21Å; N307-R311 PolarHBondContact O-N 3.28Å; N307-R311 VanDerWaalsContact O-N 3.1Å; E308-R311 PolarHBondContact O-N 3.36Å; Y309-R311 PolarHBondContact O-N 3.49Å; R311-F314 PolarHBondContact O-N 3.08Å; R311-A315 PolarHBondContact O-N 3.06Å; R311-A315 VanDerWaalsContact O-N 3.14Å; R311-E349 PolarHBondContact NH2-O 2.86Å; R311-E349 VanDerWaalsContact NH2-O 3.16Å; R311-S351 PolarHBondContact NE-OG 3.04Å; R311-Y354 VanDerWaalsContact NH1-CE2 3.28Å; R311-I355 HydrophobicContact CB-CD1 4.36Å; R311-I355 WeakPolarHBondContact O-CD1 3.28Å; R311-Y358 HydrophobicContact CB-CE2 4.34Å
312R97.2Very high96.8Very high161 Ų16137.3 Ų37.361%0.60817%0.174SC*.Hα-helixtrans-61.9-48.4-178.2-175.7178179.3176.71.8112.2E308 Y309 F314 A315 C316 Y358E308-R312 WeakPolarHBondContact O-CB 3.46Å; E308-R312 PolarHBondContact O-N 3.14Å; Y309-R312 PolarHBondContact O-N 2.84Å; R312-F314 PolarHBondContact O-N 3.33Å; R312-A315 PolarHBondContact O-N 3.15Å; R312-C316 PolarHBondContact O-N 2.92Å; R312-C316 PolarHBondContact O-SG 3.42Å; R312-C316 VanDerWaalsContact O-SG 3.32Å; R312-Y358 HydrophobicContact CB-CE2 4.38Å
313R97.2Very high96.5Very high28 Ų2838.5 Ų38.511%0.10618%0.178CC..Hα-helixtrans-63.6-33-178.676.6179.2-169.477.4-4.7112.1S238 E242 Y309 Q310 R317S238-R313 PolarHBondContact OG-NH2 3.29Å; E242-R313 IonicContact OE1-CZ 2.71Å; E242-R313 VanDerWaalsContact OE1-CZ 3.32Å; E242-R313 IonicContact OE1-NH1 3.33Å; E242-R313 PolarHBondContact OE1-NH1 3.44Å; E242-R313 IonicContact OE1-NH2 3.94Å; E242-R313 PolarHBondContact OE1-NH2 3.28Å; E242-R313 IonicContact OE2-CZ 2.97Å; E242-R313 IonicContact OE2-NH1 3.11Å; E242-R313 PolarHBondContact OE2-NH1 3.37Å; Y309-R313 HydrophobicContact CE2-CB 4.28Å; Y309-R313 WeakPolarHBondContact O-CB 3.47Å; Y309-R313 WeakPolarHBondContact O-CG 3.48Å; Y309-R313 PolarHBondContact O-N 2.99Å; Q310-R313 VanDerWaalsContact CD-NH2 3.32Å; Q310-R313 WeakPolarHBondContact O-CG 3.28Å; Q310-R313 VanDerWaalsContact OE1-CZ 3.22Å; R313-R317 VanDerWaalsContact O-CB 3.27Å; R313-R317 WeakPolarHBondContact O-CB 3.5Å; R313-R317 PolarHBondContact O-N 2.83Å
314F98.1Very high96.2Very high1 Ų142.6 Ų42.60%0.00420%0.199CC..Hα-helixtrans-69.2-43.3177.4-175.3-104.8000110.9V270 Q310 R311 R312 R317 I318 I355 V416 F443 I466V270-F314 HydrophobicContact CB-CD1 4.38Å; V270-F314 HydrophobicContact CG2-CB 4.03Å; V270-F314 HydrophobicContact CG2-CD1 3.44Å; V270-F314 VanDerWaalsContact CG2-CD1 3.44Å; V270-F314 HydrophobicContact CG2-CE1 4.02Å; V270-F314 HydrophobicContact CG2-CG 3.83Å; Q310-F314 WeakPolarHBondContact O-CB 3.48Å; Q310-F314 PolarHBondContact O-N 3.17Å; R311-F314 PolarHBondContact O-N 3.08Å; R312-F314 PolarHBondContact O-N 3.33Å; F314-R317 WeakPolarHBondContact O-CB 3.21Å; F314-R317 PolarHBondContact O-N 3.13Å; F314-I318 HydrophobicContact CD1-CD1 3.95Å; F314-I318 HydrophobicContact CE1-CD1 3.74Å; F314-I318 HydrophobicContact CZ-CD1 4.37Å; F314-I318 WeakPolarHBondContact O-CG1 3.03Å; F314-I318 PolarHBondContact O-N 3.46Å; F314-I318 VanDerWaalsContact O-N 3.12Å; F314-I355 HydrophobicContact CB-CD1 4.48Å; F314-I355 HydrophobicContact CD1-CD1 3.93Å; F314-I355 HydrophobicContact CD1-CG1 4.34Å; F314-V416 HydrophobicContact CE1-CG1 3.77Å; F314-V416 HydrophobicContact CZ-CG1 4.21Å; F314-F443 HydrophobicContact CE2-CB 4.28Å; F314-F443 HydrophobicContact CZ-CB 3.8Å; F314-I466 HydrophobicContact CD2-CD1 3.82Å; F314-I466 HydrophobicContact CD2-CG1 3.69Å; F314-I466 HydrophobicContact CE2-CD1 4.11Å; F314-I466 HydrophobicContact CE2-CG1 3.89Å; F314-I466 HydrophobicContact CG-CD1 4.41Å
315A97.4Very high96Very high1 Ų145.5 Ų45.51%0.00822%0.217CC..Hα-helixtrans-61.5-46.817300000112.3R311 R312 R317 I318 I319 I355 Y358R311-A315 PolarHBondContact O-N 3.06Å; R311-A315 VanDerWaalsContact O-N 3.14Å; R312-A315 PolarHBondContact O-N 3.15Å; A315-R317 VanDerWaalsContact C-N 3.28Å; A315-R317 PolarHBondContact O-N 2.97Å; A315-I318 WeakPolarHBondContact O-CB 3.47Å; A315-I318 PolarHBondContact O-N 3.18Å; A315-I318 VanDerWaalsContact O-N 3.11Å; A315-I319 WeakPolarHBondContact O-CG1 3.47Å; A315-I319 PolarHBondContact O-N 3.35Å; A315-I319 VanDerWaalsContact O-N 3.09Å; A315-I355 HydrophobicContact CB-CD1 4.15Å; A315-Y358 HydrophobicContact CB-CD2 3.67Å; A315-Y358 HydrophobicContact CB-CG 3.94Å
316C96.1Very high95.9Very high51 Ų5142.7 Ų42.735%0.34520%0.202SC..Hα-helixtrans-56.9-43.1175.1-670000111.5R312 I318 I319 D320R312-C316 PolarHBondContact O-N 2.92Å; R312-C316 PolarHBondContact O-SG 3.42Å; R312-C316 VanDerWaalsContact O-SG 3.32Å; C316-I318 VanDerWaalsContact C-N 3.3Å; C316-I318 PolarHBondContact O-N 2.83Å; C316-I319 PolarHBondContact O-N 3.43Å; C316-I319 VanDerWaalsContact O-N 3.11Å; C316-D320 WeakPolarHBondContact O-CB 3.19Å; C316-D320 PolarHBondContact O-N 3.37Å
317R95.4Very high95.8Very high8 Ų845.1 Ų45.13%0.0322%0.22CC..Hα-helixtrans-59.9-38.1177.3-175.9173.6172.6176.7-4.6112.7E242 R313 F314 A315 C321 E464 T465E242-R317 IonicContact OE1-NH1 2.68Å; E242-R317 IonicContact OE2-CZ 3.94Å; E242-R317 IonicContact OE2-NH1 3.39Å; E242-R317 PolarHBondContact OE2-NH1 3.48Å; R313-R317 VanDerWaalsContact O-CB 3.27Å; R313-R317 WeakPolarHBondContact O-CB 3.5Å; R313-R317 PolarHBondContact O-N 2.83Å; F314-R317 WeakPolarHBondContact O-CB 3.21Å; F314-R317 PolarHBondContact O-N 3.13Å; A315-R317 VanDerWaalsContact C-N 3.28Å; A315-R317 PolarHBondContact O-N 2.97Å; R317-C321 WeakPolarHBondContact O-CB 3.38Å; R317-C321 PolarHBondContact O-N 3.43Å; R317-C321 PolarHBondContact O-SG 3.14Å; R317-C321 VanDerWaalsContact O-SG 3.33Å; R317-E464 IonicContact CZ-OE2 2.76Å; R317-E464 VanDerWaalsContact CZ-OE2 3.23Å; R317-E464 IonicContact NE-OE2 2.7Å; R317-E464 PolarHBondContact NE-OE2 3.02Å; R317-E464 IonicContact NH2-OE2 3.73Å; R317-E464 PolarHBondContact NH2-OE2 3.08Å; R317-T465 PolarHBondContact NH1-O 3.47Å; R317-T465 PolarHBondContact NH2-O 3.33Å
318I96.6Very high95.7Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-63.3-48173.8-65162.9000110.4F314 A315 C316 C321 L322 I331 I355 L359 V416 F443F314-I318 HydrophobicContact CD1-CD1 3.95Å; F314-I318 HydrophobicContact CE1-CD1 3.74Å; F314-I318 HydrophobicContact CZ-CD1 4.37Å; F314-I318 WeakPolarHBondContact O-CG1 3.03Å; F314-I318 PolarHBondContact O-N 3.46Å; F314-I318 VanDerWaalsContact O-N 3.12Å; A315-I318 WeakPolarHBondContact O-CB 3.47Å; A315-I318 PolarHBondContact O-N 3.18Å; A315-I318 VanDerWaalsContact O-N 3.11Å; C316-I318 VanDerWaalsContact C-N 3.3Å; C316-I318 PolarHBondContact O-N 2.83Å; I318-C321 PolarHBondContact O-N 3.1Å; I318-L322 HydrophobicContact CG2-CD1 3.92Å; I318-L322 WeakPolarHBondContact O-CB 3.46Å; I318-L322 VanDerWaalsContact O-CG 3.31Å; I318-L322 WeakPolarHBondContact O-CG 3.47Å; I318-L322 PolarHBondContact O-N 3Å; I318-I331 HydrophobicContact CG2-CD1 4.47Å; I318-I355 HydrophobicContact CD1-CG2 4.4Å; I318-L359 HydrophobicContact CB-CD2 4.38Å; I318-L359 HydrophobicContact CG2-CD2 3.93Å; I318-V416 HydrophobicContact CD1-CG1 3.83Å; I318-V416 HydrophobicContact CD1-CG2 3.88Å; I318-V416 HydrophobicContact CG1-CG2 4.5Å; I318-F443 HydrophobicContact CB-CD2 4.45Å; I318-F443 HydrophobicContact CB-CE2 4.32Å; I318-F443 HydrophobicContact CB-CZ 4.37Å; I318-F443 HydrophobicContact CD1-CB 4.48Å; I318-F443 HydrophobicContact CD1-CG 4.48Å; I318-F443 HydrophobicContact CG1-CB 4.11Å; I318-F443 HydrophobicContact CG1-CD1 3.81Å; I318-F443 HydrophobicContact CG1-CD2 3.83Å; I318-F443 HydrophobicContact CG1-CE1 4.16Å; I318-F443 HydrophobicContact CG1-CE2 4.16Å; I318-F443 HydrophobicContact CG1-CG 3.64Å; I318-F443 HydrophobicContact CG1-CZ 4.33Å; I318-F443 HydrophobicContact CG2-CD2 4.22Å; I318-F443 HydrophobicContact CG2-CE2 3.97Å; I318-F443 HydrophobicContact CG2-CZ 4.4Å
319I96.1Very high95.7Very high19 Ų1944.1 Ų44.110%0.09723%0.226CC..Hα-helixtrans-63.9-45.4-178.3-64.7157.1000111A315 C316 C321 L322 F323 N324 V326 L359 E362A315-I319 WeakPolarHBondContact O-CG1 3.47Å; A315-I319 PolarHBondContact O-N 3.35Å; A315-I319 VanDerWaalsContact O-N 3.09Å; C316-I319 PolarHBondContact O-N 3.43Å; C316-I319 VanDerWaalsContact O-N 3.11Å; I319-C321 PolarHBondContact O-N 3.46Å; I319-L322 CarbonylContact O-C 3.6Å; I319-L322 PolarHBondContact O-N 3.34Å; I319-L322 VanDerWaalsContact O-N 3.12Å; I319-F323 PolarHBondContact O-N 3.3Å; I319-N324 WeakPolarHBondContact O-CA 3.07Å; I319-N324 PolarHBondContact O-N 3.21Å; I319-V326 HydrophobicContact CG1-CG1 4.38Å; I319-V326 HydrophobicContact CG1-CG2 4.46Å; I319-L359 HydrophobicContact CG1-CD2 4.18Å; I319-E362 HydrophobicContact CD1-CG 3.79Å; I319-E362 HydrophobicContact CG1-CG 4.45Å
320D92.9Very high95.7Very high56 Ų5640.2 Ų40.230%0.29921%0.212SC..Hα-helixtrans-56.4-49.6177.9-69.8-16000110.8C316 L322 F323 N324C316-D320 WeakPolarHBondContact O-CB 3.19Å; C316-D320 PolarHBondContact O-N 3.37Å; D320-L322 PolarHBondContact O-N 2.99Å; D320-F323 PolarHBondContact O-N 3.23Å; D320-F323 VanDerWaalsContact O-N 3.09Å; D320-N324 PolarHBondContact OD1-OD1 3.39Å
321C92.6Very high95.8Very high17 Ų1740.2 Ų40.212%0.11521%0.212CC..Hα-helixtrans-70-22.3-179.6-69.70000113R317 I318 I319 F323 F441 F443 E464R317-C321 WeakPolarHBondContact O-CB 3.38Å; R317-C321 PolarHBondContact O-N 3.43Å; R317-C321 PolarHBondContact O-SG 3.14Å; R317-C321 VanDerWaalsContact O-SG 3.33Å; I318-C321 PolarHBondContact O-N 3.1Å; I319-C321 PolarHBondContact O-N 3.46Å; C321-F323 PolarHBondContact O-N 3.45Å; C321-F441 HydrophobicContact CB-CD1 4.29Å; C321-F441 HydrophobicContact CB-CE1 3.95Å; C321-F441 HydrophobicContact CB-CZ 4.41Å; C321-F441 VanDerWaalsContact O-CZ 3.23Å; C321-F441 WeakPolarHBondContact O-CZ 3.31Å; C321-F443 HydrophobicContact CB-CE1 3.98Å; C321-F443 HydrophobicContact CB-CZ 3.63Å; C321-E464 VanDerWaalsContact SG-CD 3.59Å; C321-E464 PolarHBondContact SG-OE1 3.48Å
322L94.3Very high95.8Very high3 Ų340.1 Ų40.12%0.01621%0.211CC..THydrogen-bonded Turntrans-90.828.7171.1-64.7177000112.4I318 I319 D320 T325 V326 K329 I331 H413 A414 F441I318-L322 HydrophobicContact CG2-CD1 3.92Å; I318-L322 WeakPolarHBondContact O-CB 3.46Å; I318-L322 VanDerWaalsContact O-CG 3.31Å; I318-L322 WeakPolarHBondContact O-CG 3.47Å; I318-L322 PolarHBondContact O-N 3Å; I319-L322 CarbonylContact O-C 3.6Å; I319-L322 PolarHBondContact O-N 3.34Å; I319-L322 VanDerWaalsContact O-N 3.12Å; D320-L322 PolarHBondContact O-N 2.99Å; L322-T325 PolarHBondContact O-N 2.85Å; L322-V326 HydrophobicContact CB-CG1 3.83Å; L322-V326 HydrophobicContact CD1-CG1 3.65Å; L322-V326 HydrophobicContact CG-CG1 4.4Å; L322-K329 PolarHBondContact O-NZ 3.18Å; L322-I331 HydrophobicContact CD1-CD1 3.82Å; L322-I331 HydrophobicContact CD1-CG1 4.33Å; L322-H413 HydrophobicContact CD2-CB 4.19Å; L322-A414 HydrophobicContact CD1-CB 4.01Å; L322-A414 HydrophobicContact CD2-CB 4.34Å; L322-F441 HydrophobicContact CD2-CD2 3.67Å; L322-F441 HydrophobicContact CD2-CE2 3.99Å; L322-F441 HydrophobicContact CD2-CG 4.43Å
323F92.7Very high95.9Very high137 Ų13732.5 Ų32.560%0.60118%0.182SC*.THydrogen-bonded Turntrans65.735173-44.5-74.1000113.9I319 D320 C321 T325 P439I319-F323 PolarHBondContact O-N 3.3Å; D320-F323 PolarHBondContact O-N 3.23Å; D320-F323 VanDerWaalsContact O-N 3.09Å; C321-F323 PolarHBondContact O-N 3.45Å; F323-T325 PolarHBondContact O-N 2.8Å; F323-T325 VanDerWaalsContact O-N 3.11Å; F323-P439 HydrophobicContact CE2-CG 4.34Å; F323-P439 HydrophobicContact CZ-CG 4.09Å
324N92.1Very high95.9Very high92 Ų9231.1 Ų31.149%0.49218%0.177SC..THydrogen-bonded Turntrans5723.4-179.3-61.1-47.4000114.1I319 D320I319-N324 WeakPolarHBondContact O-CA 3.07Å; I319-N324 PolarHBondContact O-N 3.21Å; D320-N324 PolarHBondContact OD1-OD1 3.39Å
325T92.9Very high95.8Very high63 Ų6331.1 Ų31.139%0.38718%0.177SC..  trans-150121.7175.6-178.70000110.4L322 F323 K329L322-T325 PolarHBondContact O-N 2.85Å; F323-T325 PolarHBondContact O-N 2.8Å; F323-T325 VanDerWaalsContact O-N 3.11Å; T325-K329 WeakPolarHBondContact O-CD 3.26Å; T325-K329 WeakPolarHBondContact O-CE 3.49Å; T325-K329 PolarHBondContact O-NZ 2.94Å
326V96.3Very high95.6Very high0 Ų031 Ų310%018%0.177CC..  trans-119.12.7174.8-62.50000113I319 L322 G328 K329 I331 E362 A364I319-V326 HydrophobicContact CG1-CG1 4.38Å; I319-V326 HydrophobicContact CG1-CG2 4.46Å; L322-V326 HydrophobicContact CB-CG1 3.83Å; L322-V326 HydrophobicContact CD1-CG1 3.65Å; L322-V326 HydrophobicContact CG-CG1 4.4Å; V326-G328 PolarHBondContact O-N 2.59Å; V326-K329 WeakPolarHBondContact O-CB 3.36Å; V326-K329 PolarHBondContact O-N 3.11Å; V326-I331 HydrophobicContact CB-CD1 4.33Å; V326-I331 HydrophobicContact CG1-CD1 4.18Å; V326-E362 HydrophobicContact CG2-CB 3.29Å; V326-E362 HydrophobicContact CG2-CG 4.34Å; V326-A364 HydrophobicContact CB-CB 4.07Å; V326-A364 HydrophobicContact CG2-CB 3.95Å; V326-A364 WeakPolarHBondContact O-CA 3.2Å
327T96.1Very high95.3Very high99 Ų9928.6 Ų28.661%0.60716%0.16SC*.THydrogen-bonded Turntrans-56.4120.6179.1-48.20000111.3K329 E362 G363T327-K329 PolarHBondContact O-N 3.44Å; T327-K329 VanDerWaalsContact O-N 3.15Å; T327-E362 PolarHBondContact N-O 3.49Å; T327-E362 PolarHBondContact OG1-O 2.72Å; T327-E362 VanDerWaalsContact OG1-O 3.07Å; T327-G363 WeakPolarHBondContact CA-O 3.39Å
328G94.5Very high94.9Very high43 Ų4329.4 Ų29.444%0.44316%0.164SC..THydrogen-bonded Turntrans72.4-4.4-178.300000115.2V326 G363V326-G328 PolarHBondContact O-N 2.59Å; G328-G363 PolarHBondContact N-O 3.14Å
329K98.1Very high94.5Very high31 Ų3131.9 Ų31.914%0.13518%0.175CC..  trans-74.5132.5177.1-66.1-168.3-176.9169.10110.2L322 T325 V326 T327 K365L322-K329 PolarHBondContact O-NZ 3.18Å; T325-K329 WeakPolarHBondContact O-CD 3.26Å; T325-K329 WeakPolarHBondContact O-CE 3.49Å; T325-K329 PolarHBondContact O-NZ 2.94Å; V326-K329 WeakPolarHBondContact O-CB 3.36Å; V326-K329 PolarHBondContact O-N 3.11Å; T327-K329 PolarHBondContact O-N 3.44Å; T327-K329 VanDerWaalsContact O-N 3.15Å; K329-K365 PolarHBondContact O-N 3.05Å
330K98.4Very high94.1Very high33 Ų3333.7 Ų33.714%0.14318%0.182CC..EExtended strand (participates in β ladder)trans-73124.8169178.6168.1174.11740110.5K365 F367 E407 A408 Q410 A412 H413K330-K365 CarbonylContact C-O 3.35Å; K330-K365 WeakPolarHBondContact CA-O 3.4Å; K330-F367 HydrophobicContact CB-CE2 4.46Å; K330-F367 HydrophobicContact CD-CD1 4.5Å; K330-F367 HydrophobicContact CD-CD2 3.67Å; K330-F367 HydrophobicContact CD-CE1 4.42Å; K330-F367 HydrophobicContact CD-CE2 3.58Å; K330-F367 HydrophobicContact CD-CG 4.14Å; K330-F367 HydrophobicContact CD-CZ 3.99Å; K330-F367 VanDerWaalsContact CE-CD2 3.45Å; K330-F367 HydrophobicContact CG-CD2 3.54Å; K330-F367 HydrophobicContact CG-CE2 3.71Å; K330-F367 HydrophobicContact CG-CG 4.3Å; K330-E407 PolarHBondContact NZ-O 2.97Å; K330-A408 WeakPolarHBondContact CE-O 3.47Å; K330-A408 PolarHBondContact NZ-O 2.82Å; K330-Q410 WeakPolarHBondContact CD-O 3.27Å; K330-Q410 WeakPolarHBondContact CE-O 3.33Å; K330-Q410 PolarHBondContact NZ-O 2.83Å; K330-A412 HydrophobicContact CD-CB 4.5Å; K330-A412 HydrophobicContact CG-CB 4.05Å; K330-A412 WeakPolarHBondContact O-CA 3.36Å; K330-H413 PolarHBondContact N-ND1 3.21Å; K330-H413 PolarHBondContact O-N 3.05Å; K330-H413 PolarHBondContact O-ND1 3.39Å
331I98.7Very high93.7Very high0 Ų033.9 Ų33.90%018%0.183CC..EExtended strand (participates in β ladder)trans-124126.7173.3-59.7179.7000108.4I318 L322 V326 L359 A364 K365 L366 F367 A414 V416I318-I331 HydrophobicContact CG2-CD1 4.47Å; L322-I331 HydrophobicContact CD1-CD1 3.82Å; L322-I331 HydrophobicContact CD1-CG1 4.33Å; V326-I331 HydrophobicContact CB-CD1 4.33Å; V326-I331 HydrophobicContact CG1-CD1 4.18Å; I331-L359 HydrophobicContact CD1-CD1 4.31Å; I331-L359 HydrophobicContact CD1-CD2 4.19Å; I331-L359 HydrophobicContact CG2-CD1 4.41Å; I331-A364 HydrophobicContact CD1-CB 3.9Å; I331-A364 HydrophobicContact CG1-CB 4.48Å; I331-K365 PolarHBondContact N-O 2.93Å; I331-L366 HydrophobicContact CB-CD2 4.04Å; I331-L366 HydrophobicContact CG2-CD2 4.39Å; I331-L366 WeakPolarHBondContact O-CA 3.31Å; I331-F367 PolarHBondContact O-N 2.93Å; I331-A414 HydrophobicContact CG1-CB 4.5Å; I331-A414 HydrophobicContact CG2-CB 4.28Å; I331-V416 HydrophobicContact CG2-CG2 3.68Å
332A98.6Very high93Very high0 Ų033.1 Ų33.10%018%0.178CC..EExtended strand (participates in β ladder)trans-85.5127.717400000109.5F367 A408 C409 A412 A414 L415 V416A332-F367 CarbonylContact C-O 3.56Å; A332-F367 WeakPolarHBondContact CA-O 3.09Å; A332-A408 HydrophobicContact CB-CB 4.13Å; A332-A408 WeakPolarHBondContact CB-O 3.46Å; A332-C409 HydrophobicContact CB-CB 4.43Å; A332-A412 HydrophobicContact CB-CB 4.22Å; A332-A414 PolarHBondContact N-O 3.26Å; A332-L415 CarbonylContact O-C 3.55Å; A332-L415 WeakPolarHBondContact O-CA 3.27Å; A332-V416 PolarHBondContact O-N 3.25Å
333L98.3Very high91.9Very high0 Ų034.3 Ų34.30%019%0.191CC..EExtended strand (participates in β ladder)trans-114.8111.9176.6-168.8150.3000108.9G335 F336 S356 F367 I368 Y369 V416 C418L333-G335 WeakPolarHBondContact CD2-O 3.43Å; L333-F336 HydrophobicContact CD2-CD2 4.38Å; L333-S356 VanDerWaalsContact CD1-OG 3.3Å; L333-S356 WeakPolarHBondContact CD1-OG 3.49Å; L333-F367 PolarHBondContact N-O 3.15Å; L333-I368 HydrophobicContact CB-CG1 4.25Å; L333-I368 HydrophobicContact CD2-CG2 4.07Å; L333-I368 WeakPolarHBondContact O-CA 3.44Å; L333-Y369 PolarHBondContact O-N 3.39Å; L333-V416 WeakPolarHBondContact CA-O 3.44Å; L333-C418 HydrophobicContact CD2-CB 4.43Å
334L98Very high90.7Very high0 Ų028.1 Ų28.10%016%0.164CC..EExtended strand (participates in β ladder)trans-101.4116.3-178.2-56.8-170.6000109.7Y369 P405 A408 L415 V416 I417 C418 F424 L427L334-Y369 HydrophobicContact CD2-CD1 4.39Å; L334-P405 HydrophobicContact CD2-CB 4.08Å; L334-A408 HydrophobicContact CD2-CB 4.27Å; L334-L415 HydrophobicContact CD1-CD1 3.89Å; L334-L415 HydrophobicContact CD1-CD2 3.84Å; L334-L415 HydrophobicContact CD1-CG 3.88Å; L334-L415 HydrophobicContact CG-CD2 4.24Å; L334-L415 HydrophobicContact CG-CG 4.24Å; L334-V416 PolarHBondContact N-O 3.01Å; L334-I417 HydrophobicContact CB-CG1 4.45Å; L334-C418 PolarHBondContact O-N 2.91Å; L334-F424 HydrophobicContact CB-CD1 4.5Å; L334-F424 HydrophobicContact CB-CD2 4.36Å; L334-F424 HydrophobicContact CB-CE1 4.06Å; L334-F424 HydrophobicContact CB-CE2 3.88Å; L334-F424 HydrophobicContact CB-CZ 3.74Å; L334-F424 HydrophobicContact CD1-CD1 4.39Å; L334-F424 HydrophobicContact CD1-CE1 4.49Å; L334-L427 HydrophobicContact CD1-CD1 4.13Å
335G95.5Very high89.2Confident0 Ų023.8 Ų23.80%014%0.141CC..  trans91.9121.1-177.200000113.1L333 S352 Y369 T419L333-G335 WeakPolarHBondContact CD2-O 3.43Å; G335-S352 PolarHBondContact O-OG 2.89Å; G335-Y369 PolarHBondContact N-O 3.24Å; G335-T419 VanDerWaalsContact CA-OG1 3.28Å; G335-T419 WeakPolarHBondContact CA-OG1 3.4Å; G335-T419 PolarHBondContact O-OG1 2.79Å
336F94.1Very high87.1Confident0 Ų023.9 Ų23.90%014%0.144CC..  trans-117.6-30.4179.2-161.3-98.2000112.8L333 T345 S350 I353 I368 D370 V373 I378 D381 L382 T419L333-F336 HydrophobicContact CD2-CD2 4.38Å; F336-T345 HydrophobicContact CD1-CG2 3.58Å; F336-T345 HydrophobicContact CE1-CG2 4.15Å; F336-S350 WeakPolarHBondContact O-CB 3.28Å; F336-S350 PolarHBondContact O-OG 2.87Å; F336-I353 HydrophobicContact CE1-CG1 3.97Å; F336-I353 HydrophobicContact CE2-CG1 4.37Å; F336-I353 HydrophobicContact CZ-CG1 3.65Å; F336-I368 HydrophobicContact CB-CG2 4.13Å; F336-I368 HydrophobicContact CD2-CD1 4.18Å; F336-I368 HydrophobicContact CD2-CG2 3.82Å; F336-I368 HydrophobicContact CE2-CD1 4.07Å; F336-I368 HydrophobicContact CG-CG2 4.27Å; F336-D370 HydrophobicContact CB-CB 3.93Å; F336-D370 PolarHBondContact N-OD2 3.46Å; F336-V373 HydrophobicContact CD1-CG1 4.19Å; F336-I378 HydrophobicContact CB-CD1 4.26Å; F336-I378 HydrophobicContact CB-CG1 4.45Å; F336-I378 HydrophobicContact CD1-CB 4.3Å; F336-I378 HydrophobicContact CD1-CD1 4.36Å; F336-I378 HydrophobicContact CD1-CG1 3.64Å; F336-I378 HydrophobicContact CD1-CG2 4.31Å; F336-I378 HydrophobicContact CD2-CG2 4.14Å; F336-I378 HydrophobicContact CE1-CB 4.13Å; F336-I378 HydrophobicContact CE1-CG1 3.97Å; F336-I378 HydrophobicContact CE1-CG2 4.06Å; F336-I378 HydrophobicContact CE2-CG2 3.87Å; F336-I378 HydrophobicContact CG-CD1 4.23Å; F336-I378 HydrophobicContact CG-CG1 3.99Å; F336-I378 HydrophobicContact CG-CG2 4.35Å; F336-I378 HydrophobicContact CZ-CB 4.38Å; F336-I378 HydrophobicContact CZ-CG2 3.82Å; F336-D381 HydrophobicContact CE1-CB 4.14Å; F336-D381 HydrophobicContact CZ-CB 4.29Å; F336-L382 HydrophobicContact CE2-CD1 4.22Å; F336-L382 HydrophobicContact CE2-CD2 4.17Å; F336-L382 HydrophobicContact CE2-CG 4.26Å; F336-L382 HydrophobicContact CZ-CD1 4.36Å; F336-L382 HydrophobicContact CZ-CD2 4.08Å; F336-L382 HydrophobicContact CZ-CG 3.99Å; F336-T419 PolarHBondContact N-OG1 2.97Å
337S89.6Confident84.9Confident0 Ų024.3 Ų24.30%015%0.147CC..SBendtrans-57.6150.6170.443.20000112.2K339 D370 T419 W421S337-K339 WeakPolarHBondContact CB-O 3.28Å; S337-K339 PolarHBondContact O-N 2.76Å; S337-K339 PolarHBondContact OG-O 3.08Å; S337-D370 PolarHBondContact N-OD2 3.46Å; S337-D370 PolarHBondContact OG-OD2 2.96Å; S337-T419 VanDerWaalsContact O-CG2 3.27Å; S337-T419 WeakPolarHBondContact O-CG2 3.47Å; S337-T419 PolarHBondContact O-OG1 3.15Å; S337-W421 WeakPolarHBondContact OG-CZ2 3.46Å; S337-W421 PolarHBondContact OG-NE1 2.84Å; S337-W421 VanDerWaalsContact OG-NE1 3.1Å
338F87.1Confident83.3Confident25 Ų2527.3 Ų27.311%0.1115%0.147CC..SBendtrans-70.9-22.4-175.676.1-84.8000113.4E165 T342 D344 R446E165-F338 HydrophobicContact CB-CZ 4.39Å; E165-F338 WeakPolarHBondContact OE2-CE1 3.25Å; F338-T342 HydrophobicContact CD1-CG2 4.23Å; F338-T342 HydrophobicContact CE1-CG2 3.81Å; F338-T342 HydrophobicContact CZ-CG2 4.43Å; F338-D344 WeakPolarHBondContact CD1-O 3.48Å; F338-D344 HydrophobicContact CE1-CB 4.44Å; F338-R446 PolarHBondContact O-NH2 3.4Å
339K87.1Confident82.5Confident52 Ų5227.1 Ų27.123%0.22614%0.135CC..SBendtrans-151168.2174.464.4174.6-75.4-177.20109.8E165 S337 T342 E420E165-K339 WeakPolarHBondContact O-CE 3.29Å; E165-K339 PolarHBondContact O-NZ 3.21Å; S337-K339 WeakPolarHBondContact CB-O 3.28Å; S337-K339 PolarHBondContact O-N 2.76Å; S337-K339 PolarHBondContact OG-O 3.08Å; K339-T342 HydrophobicContact CG-CG2 3.72Å; K339-T342 WeakPolarHBondContact O-CG2 3.49Å; K339-E420 WeakPolarHBondContact CA-OE1 3.36Å; K339-E420 WeakPolarHBondContact CB-OE1 3.15Å
340K89.1Confident82Confident57 Ų5725.7 Ų25.725%0.24813%0.129CC..THydrogen-bonded Turntrans-68.1164.717372171.4-170.4173.90113.1T342 E420 W421 D422K340-T342 VanDerWaalsContact C-N 3.25Å; K340-T342 PolarHBondContact O-N 3.15Å; K340-E420 HydrophobicContact CB-CG 4.27Å; K340-E420 HydrophobicContact CD-CG 4.26Å; K340-E420 WeakPolarHBondContact CD-O 3.3Å; K340-E420 HydrophobicContact CG-CG 4.14Å; K340-E420 PolarHBondContact N-OE1 2.88Å; K340-W421 HydrophobicContact CB-CD2 4.14Å; K340-W421 HydrophobicContact CB-CE3 4.01Å; K340-W421 HydrophobicContact CB-CZ3 4.42Å; K340-D422 IonicContact NZ-OD1 3.21Å; K340-D422 PolarHBondContact NZ-OD1 3.26Å; K340-D422 IonicContact NZ-OD2 3.78Å; K340-D422 PolarHBondContact NZ-OD2 3Å
341D83.7Confident81.8Confident60 Ų6024.1 Ų24.132%0.32112%0.122SC..THydrogen-bonded Turntrans63.722.1174.4-53.3-38.4000115.3
342T78.9Confident81.5Confident0 Ų024.1 Ų24.10%012%0.122CC..  trans-137.1145.6172.7-177.90000110.8E165 F338 K339 K340 D344 W421E165-T342 PolarHBondContact OE2-OG1 2.96Å; F338-T342 HydrophobicContact CD1-CG2 4.23Å; F338-T342 HydrophobicContact CE1-CG2 3.81Å; F338-T342 HydrophobicContact CZ-CG2 4.43Å; K339-T342 HydrophobicContact CG-CG2 3.72Å; K339-T342 WeakPolarHBondContact O-CG2 3.49Å; K340-T342 VanDerWaalsContact C-N 3.25Å; K340-T342 PolarHBondContact O-N 3.15Å; T342-D344 VanDerWaalsContact C-N 3.28Å; T342-D344 VanDerWaalsContact OG1-CB 3.32Å; T342-D344 WeakPolarHBondContact OG1-CB 3.35Å; T342-D344 PolarHBondContact OG1-N 3.2Å; T342-W421 WeakPolarHBondContact O-CZ2 3.44Å
343G69.8Low81.3Confident28 Ų2824.4 Ų24.429%0.28912%0.123SC..  trans-88.81.7168.100000112.6T345G343-T345 PolarHBondContact O-N 3.22Å
344D67.6Low81.1Confident8 Ų826.6 Ų26.64%0.04313%0.132CC..  trans-79.7117.8-173.5-168.928.7000112.2E165 F338 T342 S346 S347E165-D344 WeakPolarHBondContact OE2-CB 3.47Å; F338-D344 WeakPolarHBondContact CD1-O 3.48Å; F338-D344 HydrophobicContact CE1-CB 4.44Å; T342-D344 VanDerWaalsContact C-N 3.28Å; T342-D344 VanDerWaalsContact OG1-CB 3.32Å; T342-D344 WeakPolarHBondContact OG1-CB 3.35Å; T342-D344 PolarHBondContact OG1-N 3.2Å; D344-S346 WeakPolarHBondContact OD1-CA 3.23Å; D344-S346 VanDerWaalsContact OD1-CB 3.27Å; D344-S346 WeakPolarHBondContact OD1-CB 3.45Å; D344-S346 PolarHBondContact OD1-N 2.97Å; D344-S346 PolarHBondContact OD1-OG 2.9Å; D344-S347 PolarHBondContact OD1-N 2.81Å; D344-S347 WeakPolarHBondContact OD2-CB 3.39Å; D344-S347 PolarHBondContact OD2-N 3.12Å; D344-S347 PolarHBondContact OD2-OG 2.79Å
345T61.3Low81Confident0 Ų026.6 Ų26.60%013%0.132CC..  trans-120.4-8159.462.10000111.3F336 G343 S347 R348 V373 Q377 D381F336-T345 HydrophobicContact CD1-CG2 3.58Å; F336-T345 HydrophobicContact CE1-CG2 4.15Å; G343-T345 PolarHBondContact O-N 3.22Å; T345-S347 PolarHBondContact O-N 2.95Å; T345-R348 PolarHBondContact O-N 3.41Å; T345-R348 VanDerWaalsContact O-N 3.11Å; T345-V373 HydrophobicContact CG2-CB 4.24Å; T345-V373 HydrophobicContact CG2-CG1 3.71Å; T345-V373 HydrophobicContact CG2-CG2 3.42Å; T345-V373 VanDerWaalsContact CG2-CG2 3.42Å; T345-Q377 WeakPolarHBondContact OG1-CG 3.47Å; T345-D381 WeakPolarHBondContact CB-OD2 3.48Å; T345-D381 PolarHBondContact OG1-OD2 2.98Å
346S48.5Very low81Confident66 Ų6626.6 Ų26.646%0.46213%0.132SC..THydrogen-bonded Turntrans-65.4-9.7178.778.60000112.7D344 R348D344-S346 WeakPolarHBondContact OD1-CA 3.23Å; D344-S346 VanDerWaalsContact OD1-CB 3.27Å; D344-S346 WeakPolarHBondContact OD1-CB 3.45Å; D344-S346 PolarHBondContact OD1-N 2.97Å; D344-S346 PolarHBondContact OD1-OG 2.9Å; S346-R348 WeakPolarHBondContact O-CG 3.43Å; S346-R348 PolarHBondContact O-N 3.12Å
347S50.5Low81Confident9 Ų928.8 Ų28.86%0.06314%0.142CC..THydrogen-bonded Turntrans-74.99.8168.947.90000115.7D344 T345 E349D344-S347 PolarHBondContact OD1-N 2.81Å; D344-S347 WeakPolarHBondContact OD2-CB 3.39Å; D344-S347 PolarHBondContact OD2-N 3.12Å; D344-S347 PolarHBondContact OD2-OG 2.79Å; T345-S347 PolarHBondContact O-N 2.95Å; S347-E349 PolarHBondContact O-N 3.31Å
348R61.9Low81.3Confident162 Ų16231.9 Ų31.961%0.61115%0.153SC*.SBendtrans66.2-6.3159.9-56.8-175.2-180-172.7-5.9118.1T345 S346T345-R348 PolarHBondContact O-N 3.41Å; T345-R348 VanDerWaalsContact O-N 3.11Å; S346-R348 WeakPolarHBondContact O-CG 3.43Å; S346-R348 PolarHBondContact O-N 3.12Å
349E77.7Confident81.7Confident39 Ų3930.7 Ų30.718%0.18215%0.148CC..  trans-13023.5-169.7-58.9-60157.900113.7G273 Q278 R311 S347 S351 Y354G273-E349 WeakPolarHBondContact CA-O 3.41Å; Q278-E349 HydrophobicContact CB-CG 4.34Å; Q278-E349 PolarHBondContact NE2-OE1 3.35Å; Q278-E349 PolarHBondContact NE2-OE2 3.15Å; Q278-E349 PolarHBondContact OE1-OE2 3.22Å; Q278-E349 VanDerWaalsContact OE1-OE2 3.14Å; R311-E349 PolarHBondContact NH2-O 2.86Å; R311-E349 VanDerWaalsContact NH2-O 3.16Å; S347-E349 PolarHBondContact O-N 3.31Å; E349-S351 PolarHBondContact O-N 2.82Å; E349-Y354 PolarHBondContact OE2-OH 3Å
350S88Confident82Confident1 Ų128.7 Ų28.71%0.00714%0.14CC..  trans-62.4128.8174179.10000110.3F336 S352 I353 Y354F336-S350 WeakPolarHBondContact O-CB 3.28Å; F336-S350 PolarHBondContact O-OG 2.87Å; S350-S352 PolarHBondContact O-N 3.4Å; S350-S352 VanDerWaalsContact O-N 3.13Å; S350-S352 PolarHBondContact OG-N 3.38Å; S350-I353 WeakPolarHBondContact O-CB 3.37Å; S350-I353 PolarHBondContact O-N 2.81Å; S350-Y354 WeakPolarHBondContact O-CD2 3.34Å
351S93Very high82.2Confident0 Ų030.1 Ų30.10%015%0.15CC..Hα-helixtrans-57.5-28174.6-64.50000111.9G271 R311 E349 I353 Y354 I355G271-S351 VanDerWaalsContact C-OG 3.28Å; G271-S351 PolarHBondContact O-OG 2.87Å; R311-S351 PolarHBondContact NE-OG 3.04Å; E349-S351 PolarHBondContact O-N 2.82Å; S351-I353 VanDerWaalsContact C-N 3.27Å; S351-I353 PolarHBondContact O-N 2.86Å; S351-Y354 PolarHBondContact O-N 3.39Å; S351-I355 WeakPolarHBondContact O-CG1 3.39Å; S351-I355 PolarHBondContact O-N 3.35Å
352S94.2Very high82.7Confident0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-60.6-33.8175.5-53.10000112.9G335 S350 S356 C418G335-S352 PolarHBondContact O-OG 2.89Å; S350-S352 PolarHBondContact O-N 3.4Å; S350-S352 VanDerWaalsContact O-N 3.13Å; S350-S352 PolarHBondContact OG-N 3.38Å; S352-S356 VanDerWaalsContact O-CB 3.24Å; S352-S356 WeakPolarHBondContact O-CB 3.03Å; S352-S356 PolarHBondContact O-N 2.69Å; S352-S356 PolarHBondContact O-OG 2.77Å; S352-C418 WeakPolarHBondContact OG-CB 3.48Å
353I93.5Very high83.4Confident6 Ų632.5 Ų32.53%0.03117%0.165CC..Hα-helixtrans-64-49.4176.3-63.5166.4000109.3F336 S350 S351 S356 K357 D381 L382 I387F336-I353 HydrophobicContact CE1-CG1 3.97Å; F336-I353 HydrophobicContact CE2-CG1 4.37Å; F336-I353 HydrophobicContact CZ-CG1 3.65Å; S350-I353 WeakPolarHBondContact O-CB 3.37Å; S350-I353 PolarHBondContact O-N 2.81Å; S351-I353 VanDerWaalsContact C-N 3.27Å; S351-I353 PolarHBondContact O-N 2.86Å; I353-S356 WeakPolarHBondContact O-CB 3.38Å; I353-S356 PolarHBondContact O-N 3.48Å; I353-K357 WeakPolarHBondContact O-CB 2.98Å; I353-K357 PolarHBondContact O-N 2.71Å; I353-D381 HydrophobicContact CD1-CB 4Å; I353-D381 HydrophobicContact CG1-CB 4.28Å; I353-L382 HydrophobicContact CG2-CD2 4.28Å; I353-I387 HydrophobicContact CG2-CD1 3.73Å; I353-I387 HydrophobicContact CG2-CG1 3.91Å; I353-I387 HydrophobicContact CG2-CG2 4.34Å
354Y93.9Very high84.7Confident46 Ų4631.2 Ų31.218%0.1815%0.151CC..Hα-helixtrans-66.6-42-179.3-67-82.4000113.1R311 E349 S350 S351 S356 K357 Y358R311-Y354 VanDerWaalsContact NH1-CE2 3.28Å; E349-Y354 PolarHBondContact OE2-OH 3Å; S350-Y354 WeakPolarHBondContact O-CD2 3.34Å; S351-Y354 PolarHBondContact O-N 3.39Å; Y354-S356 VanDerWaalsContact C-N 3.32Å; Y354-K357 WeakPolarHBondContact O-CB 3.48Å; Y354-K357 PolarHBondContact O-N 2.73Å; Y354-Y358 WeakPolarHBondContact O-CD2 3.4Å; Y354-Y358 PolarHBondContact O-N 3.25Å
355I96.4Very high86.1Confident0 Ų035.5 Ų35.50%017%0.169CC..Hα-helixtrans-63.7-41.6174.8-62.4-52.5000110.5V270 R311 F314 A315 I318 S351 K357 Y358 L359V270-I355 HydrophobicContact CG2-CD1 3.74Å; V270-I355 HydrophobicContact CG2-CG1 3.72Å; R311-I355 HydrophobicContact CB-CD1 4.36Å; R311-I355 WeakPolarHBondContact O-CD1 3.28Å; F314-I355 HydrophobicContact CB-CD1 4.48Å; F314-I355 HydrophobicContact CD1-CD1 3.93Å; F314-I355 HydrophobicContact CD1-CG1 4.34Å; A315-I355 HydrophobicContact CB-CD1 4.15Å; I318-I355 HydrophobicContact CD1-CG2 4.4Å; S351-I355 WeakPolarHBondContact O-CG1 3.39Å; S351-I355 PolarHBondContact O-N 3.35Å; I355-K357 PolarHBondContact O-N 2.89Å; I355-Y358 HydrophobicContact CD1-CD2 4.49Å; I355-Y358 PolarHBondContact O-N 2.78Å; I355-L359 HydrophobicContact CG2-CD1 4.04Å; I355-L359 VanDerWaalsContact O-CG 3.32Å; I355-L359 WeakPolarHBondContact O-CG 3.28Å; I355-L359 PolarHBondContact O-N 3.26Å; I355-L359 VanDerWaalsContact O-N 3.16Å
356S95.3Very high87.9Confident0 Ų035.5 Ų35.50%017%0.169CC..Hα-helixtrans-59.9-47.2175.1-59.20000110.9L333 S352 I353 Y354 Y358 L359 M360L333-S356 VanDerWaalsContact CD1-OG 3.3Å; L333-S356 WeakPolarHBondContact CD1-OG 3.49Å; S352-S356 VanDerWaalsContact O-CB 3.24Å; S352-S356 WeakPolarHBondContact O-CB 3.03Å; S352-S356 PolarHBondContact O-N 2.69Å; S352-S356 PolarHBondContact O-OG 2.77Å; I353-S356 WeakPolarHBondContact O-CB 3.38Å; I353-S356 PolarHBondContact O-N 3.48Å; Y354-S356 VanDerWaalsContact C-N 3.32Å; S356-Y358 PolarHBondContact O-N 3.41Å; S356-L359 PolarHBondContact O-N 3.26Å; S356-M360 WeakPolarHBondContact O-CB 3.47Å; S356-M360 VanDerWaalsContact O-CG 3.23Å; S356-M360 WeakPolarHBondContact O-CG 3.3Å; S356-M360 PolarHBondContact O-N 3.05Å
357K93.8Very high90.2Very high46 Ų4634.3 Ų34.320%0.216%0.156CC..Hα-helixtrans-53.4-55.2176.2-172.4-171-179.1-58.80111.7I353 Y354 I355 L359 M360 D361 I387I353-K357 WeakPolarHBondContact O-CB 2.98Å; I353-K357 PolarHBondContact O-N 2.71Å; Y354-K357 WeakPolarHBondContact O-CB 3.48Å; Y354-K357 PolarHBondContact O-N 2.73Å; I355-K357 PolarHBondContact O-N 2.89Å; K357-L359 PolarHBondContact O-N 3.12Å; K357-M360 PolarHBondContact O-N 3.44Å; K357-M360 VanDerWaalsContact O-N 3.09Å; K357-D361 IonicContact NZ-OD1 2.73Å; K357-D361 IonicContact NZ-OD2 3.72Å; K357-D361 PolarHBondContact NZ-OD2 2.85Å; K357-D361 PolarHBondContact O-N 3.17Å; K357-I387 HydrophobicContact CB-CG2 3.97Å; K357-I387 HydrophobicContact CD-CD1 4.17Å; K357-I387 HydrophobicContact CD-CG2 4.2Å; K357-I387 WeakPolarHBondContact CE-O 3.49Å; K357-I387 HydrophobicContact CG-CG2 3.97Å; K357-I387 WeakPolarHBondContact CG-O 3.28Å
358Y95.1Very high92.5Very high64 Ų6433.9 Ų33.925%0.25115%0.153SC..Hα-helixtrans-59.5-34.4-178.1-65.9-49000113.1R311 R312 A315 Y354 I355 S356 E362R311-Y358 HydrophobicContact CB-CE2 4.34Å; R312-Y358 HydrophobicContact CB-CE2 4.38Å; A315-Y358 HydrophobicContact CB-CD2 3.67Å; A315-Y358 HydrophobicContact CB-CG 3.94Å; Y354-Y358 WeakPolarHBondContact O-CD2 3.4Å; Y354-Y358 PolarHBondContact O-N 3.25Å; I355-Y358 HydrophobicContact CD1-CD2 4.49Å; I355-Y358 PolarHBondContact O-N 2.78Å; S356-Y358 PolarHBondContact O-N 3.41Å; Y358-E362 WeakPolarHBondContact O-CG 3.21Å
359L96.1Very high94.2Very high0 Ų027.3 Ų27.30%013%0.128CC..Hα-helixtrans-77.3-35.1177-64.3174.4000112.2I318 I319 I331 I355 S356 K357 E362 G363 A364 L366I318-L359 HydrophobicContact CB-CD2 4.38Å; I318-L359 HydrophobicContact CG2-CD2 3.93Å; I319-L359 HydrophobicContact CG1-CD2 4.18Å; I331-L359 HydrophobicContact CD1-CD1 4.31Å; I331-L359 HydrophobicContact CD1-CD2 4.19Å; I331-L359 HydrophobicContact CG2-CD1 4.41Å; I355-L359 HydrophobicContact CG2-CD1 4.04Å; I355-L359 VanDerWaalsContact O-CG 3.32Å; I355-L359 WeakPolarHBondContact O-CG 3.28Å; I355-L359 PolarHBondContact O-N 3.26Å; I355-L359 VanDerWaalsContact O-N 3.16Å; S356-L359 PolarHBondContact O-N 3.26Å; K357-L359 PolarHBondContact O-N 3.12Å; L359-E362 PolarHBondContact O-N 3.23Å; L359-G363 PolarHBondContact O-N 2.93Å; L359-A364 HydrophobicContact CB-CB 4.02Å; L359-A364 WeakPolarHBondContact O-CB 3.39Å; L359-A364 PolarHBondContact O-N 3.33Å; L359-L366 HydrophobicContact CB-CD1 4.49Å; L359-L366 HydrophobicContact CB-CD2 3.95Å; L359-L366 HydrophobicContact CD1-CD2 3.96Å
360M94.1Very high95Very high10 Ų1026 Ų265%0.04912%0.123CC..Hα-helixtrans-66.7-40.4174.6-73.2164.156.700111.9S356 K357 E362 G363 L366 L382 V395 L398 V399S356-M360 WeakPolarHBondContact O-CB 3.47Å; S356-M360 VanDerWaalsContact O-CG 3.23Å; S356-M360 WeakPolarHBondContact O-CG 3.3Å; S356-M360 PolarHBondContact O-N 3.05Å; K357-M360 PolarHBondContact O-N 3.44Å; K357-M360 VanDerWaalsContact O-N 3.09Å; M360-E362 PolarHBondContact O-N 2.8Å; M360-E362 VanDerWaalsContact O-N 3.14Å; M360-G363 WeakPolarHBondContact O-CA 3.49Å; M360-G363 PolarHBondContact O-N 2.92Å; M360-L366 HydrophobicContact CG-CD1 3.72Å; M360-L366 HydrophobicContact CG-CG 4.31Å; M360-L366 HydrophobicContact SD-CD1 4.14Å; M360-L382 HydrophobicContact SD-CD1 4.34Å; M360-L382 HydrophobicContact SD-CD2 4.4Å; M360-V395 HydrophobicContact CE-CG2 3.87Å; M360-L398 HydrophobicContact CB-CD1 4.17Å; M360-L398 HydrophobicContact CG-CD1 4.39Å; M360-V399 HydrophobicContact CE-CG2 4.21Å; M360-V399 HydrophobicContact CG-CG2 4.46Å; M360-V399 HydrophobicContact SD-CG2 3.79Å
361D92.4Very high95.2Very high88 Ų8827.9 Ų27.947%0.47114%0.135SC..Hα-helixtrans-58.4-25.6176.2-67.4-12.5000111.4K357K357-D361 IonicContact NZ-OD1 2.73Å; K357-D361 IonicContact NZ-OD2 3.72Å; K357-D361 PolarHBondContact NZ-OD2 2.85Å; K357-D361 PolarHBondContact O-N 3.17Å
362E93.9Very high95Very high91 Ų9132.9 Ų32.943%0.42516%0.157SC..THydrogen-bonded Turntrans-96.14.9175.8-63-71.7163.400113.7I319 V326 T327 Y358 L359 M360I319-E362 HydrophobicContact CD1-CG 3.79Å; I319-E362 HydrophobicContact CG1-CG 4.45Å; V326-E362 HydrophobicContact CG2-CB 3.29Å; V326-E362 HydrophobicContact CG2-CG 4.34Å; T327-E362 PolarHBondContact N-O 3.49Å; T327-E362 PolarHBondContact OG1-O 2.72Å; T327-E362 VanDerWaalsContact OG1-O 3.07Å; Y358-E362 WeakPolarHBondContact O-CG 3.21Å; L359-E362 PolarHBondContact O-N 3.23Å; M360-E362 PolarHBondContact O-N 2.8Å; M360-E362 VanDerWaalsContact O-N 3.14Å
363G93.9Very high94.7Very high19 Ų1933.4 Ų33.420%0.19616%0.16CC..THydrogen-bonded Turntrans79.422.3176.300000115.4T327 G328 L359 M360T327-G363 WeakPolarHBondContact CA-O 3.39Å; G328-G363 PolarHBondContact N-O 3.14Å; L359-G363 PolarHBondContact O-N 2.93Å; M360-G363 WeakPolarHBondContact O-CA 3.49Å; M360-G363 PolarHBondContact O-N 2.92Å
364A96.9Very high94.5Very high0 Ų039 Ų390%019%0.189CC..  trans-69.2144.3175.300000112.1V326 I331 L359 L366V326-A364 HydrophobicContact CB-CB 4.07Å; V326-A364 HydrophobicContact CG2-CB 3.95Å; V326-A364 WeakPolarHBondContact O-CA 3.2Å; I331-A364 HydrophobicContact CD1-CB 3.9Å; I331-A364 HydrophobicContact CG1-CB 4.48Å; L359-A364 HydrophobicContact CB-CB 4.02Å; L359-A364 WeakPolarHBondContact O-CB 3.39Å; L359-A364 PolarHBondContact O-N 3.33Å; A364-L366 HydrophobicContact CB-CD2 4.14Å
365K97.8Very high94.3Very high99 Ų9942.6 Ų42.643%0.4321%0.206SC..EExtended strand (participates in β ladder)trans-92.4104.2171.2-64.9-173.7177.2-173.60109.4K329 K330 I331 F367 L398K329-K365 PolarHBondContact O-N 3.05Å; K330-K365 CarbonylContact C-O 3.35Å; K330-K365 WeakPolarHBondContact CA-O 3.4Å; I331-K365 PolarHBondContact N-O 2.93Å; K365-F367 HydrophobicContact CB-CE2 4.39Å; K365-L398 CarbonylContact C-O 3.58Å; K365-L398 WeakPolarHBondContact CA-O 3.29Å; K365-L398 HydrophobicContact CG-CD2 4.38Å
366L98Very high94Very high0 Ų049.3 Ų49.30%024%0.237CC..EExtended strand (participates in β ladder)trans-88128.4-175.8-59.4-173.9000111.5I331 L359 M360 A364 I368 L398 T400I331-L366 HydrophobicContact CB-CD2 4.04Å; I331-L366 HydrophobicContact CG2-CD2 4.39Å; I331-L366 WeakPolarHBondContact O-CA 3.31Å; L359-L366 HydrophobicContact CB-CD1 4.49Å; L359-L366 HydrophobicContact CB-CD2 3.95Å; L359-L366 HydrophobicContact CD1-CD2 3.96Å; M360-L366 HydrophobicContact CG-CD1 3.72Å; M360-L366 HydrophobicContact CG-CG 4.31Å; M360-L366 HydrophobicContact SD-CD1 4.14Å; A364-L366 HydrophobicContact CB-CD2 4.14Å; L366-I368 HydrophobicContact CB-CG1 4.27Å; L366-L398 PolarHBondContact N-O 3.31Å; L366-T400 PolarHBondContact O-N 2.95Å
367F98.4Very high93.6Very high40 Ų4052.1 Ų52.118%0.17525%0.25CC..EExtended strand (participates in β ladder)trans-112.8105.6171.1-75.7-111.7000108.5K330 I331 A332 L333 K365 T400 T402 A408K330-F367 HydrophobicContact CB-CE2 4.46Å; K330-F367 HydrophobicContact CD-CD1 4.5Å; K330-F367 HydrophobicContact CD-CD2 3.67Å; K330-F367 HydrophobicContact CD-CE1 4.42Å; K330-F367 HydrophobicContact CD-CE2 3.58Å; K330-F367 HydrophobicContact CD-CG 4.14Å; K330-F367 HydrophobicContact CD-CZ 3.99Å; K330-F367 VanDerWaalsContact CE-CD2 3.45Å; K330-F367 HydrophobicContact CG-CD2 3.54Å; K330-F367 HydrophobicContact CG-CE2 3.71Å; K330-F367 HydrophobicContact CG-CG 4.3Å; I331-F367 PolarHBondContact O-N 2.93Å; A332-F367 CarbonylContact C-O 3.56Å; A332-F367 WeakPolarHBondContact CA-O 3.09Å; L333-F367 PolarHBondContact N-O 3.15Å; K365-F367 HydrophobicContact CB-CE2 4.39Å; F367-T400 CarbonylContact C-O 3.58Å; F367-T400 VanDerWaalsContact CA-O 3.26Å; F367-T400 WeakPolarHBondContact CA-O 3.28Å; F367-T400 HydrophobicContact CD1-CG2 3.81Å; F367-T400 HydrophobicContact CE1-CG2 3.7Å; F367-T400 HydrophobicContact CZ-CG2 4.46Å; F367-T402 HydrophobicContact CB-CG2 4.43Å; F367-T402 HydrophobicContact CD1-CG2 3.93Å; F367-A408 HydrophobicContact CB-CB 4.2Å
368I98.1Very high93.5Very high0 Ų050 Ų500%024%0.241CC..EExtended strand (participates in β ladder)trans-100.2134.1-168.9-53.4-179.8000109.5L333 F336 L366 I378 L382 V399 T400 T402L333-I368 HydrophobicContact CB-CG1 4.25Å; L333-I368 HydrophobicContact CD2-CG2 4.07Å; L333-I368 WeakPolarHBondContact O-CA 3.44Å; F336-I368 HydrophobicContact CB-CG2 4.13Å; F336-I368 HydrophobicContact CD2-CD1 4.18Å; F336-I368 HydrophobicContact CD2-CG2 3.82Å; F336-I368 HydrophobicContact CE2-CD1 4.07Å; F336-I368 HydrophobicContact CG-CG2 4.27Å; L366-I368 HydrophobicContact CB-CG1 4.27Å; I368-I378 HydrophobicContact CD1-CG2 3.87Å; I368-I378 HydrophobicContact CG2-CD1 4.06Å; I368-I378 HydrophobicContact CG2-CG2 4.4Å; I368-L382 HydrophobicContact CD1-CD1 3.78Å; I368-V399 HydrophobicContact CD1-CG1 3.69Å; I368-V399 HydrophobicContact CG1-CG1 4.28Å; I368-T400 PolarHBondContact N-O 3.02Å; I368-T402 PolarHBondContact O-N 3.44Å; I368-T402 PolarHBondContact O-OG1 3.07Å; I368-T402 VanDerWaalsContact O-OG1 3.04Å
369Y97.8Very high93.3Very high24 Ų2449.5 Ų49.59%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-129.3129.2170.4173.9-99.4000110.2L333 L334 G335 S403 P405 M423 F424L333-Y369 PolarHBondContact O-N 3.39Å; L334-Y369 HydrophobicContact CD2-CD1 4.39Å; G335-Y369 PolarHBondContact N-O 3.24Å; Y369-S403 VanDerWaalsContact CE2-O 3.27Å; Y369-S403 WeakPolarHBondContact CE2-O 3.47Å; Y369-P405 HydrophobicContact CD1-CB 3.81Å; Y369-P405 HydrophobicContact CD1-CG 4.27Å; Y369-P405 HydrophobicContact CE1-CB 4.12Å; Y369-P405 HydrophobicContact CE1-CG 4.07Å; Y369-P405 HydrophobicContact CG-CB 4.19Å; Y369-M423 HydrophobicContact CE1-CE 3.9Å; Y369-M423 HydrophobicContact CE1-SD 4Å; Y369-M423 WeakPolarHBondContact OH-CE 3.37Å; Y369-F424 AromaticContact CD1-CE1 3.87Å; Y369-F424 HydrophobicContact CD1-CE1 3.87Å; Y369-F424 HydrophobicContact CD1-CZ 4.21Å; Y369-F424 AromaticContact CE1-CE1 3.87Å; Y369-F424 HydrophobicContact CE1-CE1 3.87Å; Y369-F424 HydrophobicContact CE1-CZ 4.41Å
370D95Very high92.9Very high13 Ų1355.7 Ų55.77%0.0727%0.266CS..  trans-140.1135.9167.1-173.8-69.9000108.7F336 S337 K372 V373 W421F336-D370 HydrophobicContact CB-CB 3.93Å; F336-D370 PolarHBondContact N-OD2 3.46Å; S337-D370 PolarHBondContact N-OD2 3.46Å; S337-D370 PolarHBondContact OG-OD2 2.96Å; D370-K372 VanDerWaalsContact C-N 3.27Å; D370-K372 PolarHBondContact O-N 3.32Å; D370-K372 PolarHBondContact OD1-N 2.84Å; D370-V373 HydrophobicContact CB-CB 4.01Å; D370-V373 HydrophobicContact CB-CG2 4.17Å; D370-V373 VanDerWaalsContact CG-CG2 3.47Å; D370-V373 WeakPolarHBondContact OD1-CG2 2.81Å; D370-V373 PolarHBondContact OD1-N 3.43Å; D370-W421 PolarHBondContact OD2-NE1 2.89Å
371P91.7Very high92.7Very high40 Ų4055.7 Ų55.726%0.2627%0.266SS..SBendtrans-70.3-18.1-175.427.7-36.2000114.6W421 M423P371-W421 HydrophobicContact CG-CD2 3.48Å; P371-W421 VanDerWaalsContact CG-CD2 3.48Å; P371-W421 VanDerWaalsContact CG-CE2 3.48Å; P371-W421 HydrophobicContact CG-CE3 3.87Å; P371-W421 HydrophobicContact CG-CG 3.85Å; P371-W421 HydrophobicContact CG-CH2 4.23Å; P371-W421 HydrophobicContact CG-CZ2 3.89Å; P371-W421 HydrophobicContact CG-CZ3 4.21Å; P371-M423 HydrophobicContact CB-SD 3.9Å; P371-M423 HydrophobicContact CG-SD 4.03Å
372K89Confident92.5Very high105 Ų10551.5 Ų51.546%0.45724%0.244SC..SBendtrans-127.8-26.4-172.4-64.6-60.9-179.6-174.10114.4D370 W421D370-K372 VanDerWaalsContact C-N 3.27Å; D370-K372 PolarHBondContact O-N 3.32Å; D370-K372 PolarHBondContact OD1-N 2.84Å; K372-W421 HydrophobicContact CB-CH2 4.09Å; K372-W421 HydrophobicContact CB-CZ2 4.17Å; K372-W421 HydrophobicContact CG-CH2 3.54Å; K372-W421 HydrophobicContact CG-CZ2 4.07Å; K372-W421 HydrophobicContact CG-CZ3 4.25Å
373V87.8Confident92.2Very high11 Ų1149.6 Ų49.67%0.06724%0.241CC..SBendtrans-74.5130.6180-177.80000110.7F336 T345 D370 Q377 I378F336-V373 HydrophobicContact CD1-CG1 4.19Å; T345-V373 HydrophobicContact CG2-CB 4.24Å; T345-V373 HydrophobicContact CG2-CG1 3.71Å; T345-V373 HydrophobicContact CG2-CG2 3.42Å; T345-V373 VanDerWaalsContact CG2-CG2 3.42Å; D370-V373 HydrophobicContact CB-CB 4.01Å; D370-V373 HydrophobicContact CB-CG2 4.17Å; D370-V373 VanDerWaalsContact CG-CG2 3.47Å; D370-V373 WeakPolarHBondContact OD1-CG2 2.81Å; D370-V373 PolarHBondContact OD1-N 3.43Å; V373-Q377 HydrophobicContact CG1-CB 4.25Å; V373-Q377 HydrophobicContact CG1-CG 4.46Å; V373-I378 HydrophobicContact CB-CD1 4.41Å; V373-I378 HydrophobicContact CB-CG1 4.34Å; V373-I378 HydrophobicContact CG1-CD1 4.1Å; V373-I378 HydrophobicContact CG1-CG1 3.52Å
374L88.6Confident91.7Very high122 Ų12251.4 Ų51.464%0.63924%0.244SC*.  trans-70.1140.6178.1-60.6177.6000111.7Q376 Q377 I378L374-Q376 VanDerWaalsContact C-N 3.26Å; L374-Q376 PolarHBondContact O-N 3.43Å; L374-Q377 HydrophobicContact CB-CB 4.38Å; L374-Q377 WeakPolarHBondContact O-CB 3.43Å; L374-Q377 PolarHBondContact O-N 2.97Å; L374-I378 PolarHBondContact O-N 3.05Å; L374-I378 VanDerWaalsContact O-N 3.15Å
375K91.2Very high90.8Very high123 Ų12355.5 Ų55.554%0.53527%0.271SS..Hα-helixtrans-50.9-44.9176.5172.5171.3180176.10112.8Q377 I378 I379 V401K375-Q377 PolarHBondContact O-N 2.7Å; K375-I378 PolarHBondContact O-N 3.27Å; K375-I379 WeakPolarHBondContact O-CG1 3.34Å; K375-I379 PolarHBondContact O-N 3.25Å; K375-I379 VanDerWaalsContact O-N 3.12Å; K375-V401 HydrophobicContact CB-CB 4.32Å; K375-V401 HydrophobicContact CB-CG1 3.99Å; K375-V401 HydrophobicContact CD-CB 4.12Å; K375-V401 HydrophobicContact CG-CB 3.84Å; K375-V401 HydrophobicContact CG-CG1 4.09Å; K375-V401 HydrophobicContact CG-CG2 4.05Å
376Q89.5Confident89.7Confident141 Ų14154.9 Ų54.966%0.65928%0.279SS*.Hα-helixtrans-61.7-35.8-179.6-64.682.6-500111.8L374 Y380L374-Q376 VanDerWaalsContact C-N 3.26Å; L374-Q376 PolarHBondContact O-N 3.43Å; Q376-Y380 VanDerWaalsContact O-CB 3.28Å; Q376-Y380 WeakPolarHBondContact O-CB 3.41Å; Q376-Y380 PolarHBondContact O-N 3.11Å
377Q87.6Confident88.8Confident58 Ų5855.4 Ų55.427%0.27128%0.282SS..Hα-helixtrans-70-43.9178.8-171.564.748.700111.2T345 V373 L374 K375 I379 Y380 D381T345-Q377 WeakPolarHBondContact OG1-CG 3.47Å; V373-Q377 HydrophobicContact CG1-CB 4.25Å; V373-Q377 HydrophobicContact CG1-CG 4.46Å; L374-Q377 HydrophobicContact CB-CB 4.38Å; L374-Q377 WeakPolarHBondContact O-CB 3.43Å; L374-Q377 PolarHBondContact O-N 2.97Å; K375-Q377 PolarHBondContact O-N 2.7Å; Q377-I379 VanDerWaalsContact C-N 3.33Å; Q377-I379 PolarHBondContact O-N 3.2Å; Q377-Y380 PolarHBondContact O-N 3.21Å; Q377-D381 PolarHBondContact NE2-OD1 3.24Å; Q377-D381 PolarHBondContact NE2-OD2 3.07Å; Q377-D381 WeakPolarHBondContact O-CB 3.35Å; Q377-D381 PolarHBondContact O-N 3.46Å
378I90.6Very high87.5Confident1 Ų154.1 Ų54.11%0.00528%0.278CS..Hα-helixtrans-56.8-48.5175.9-60.7178.5000110.8F336 I368 V373 L374 K375 D381 L382 V401F336-I378 HydrophobicContact CB-CD1 4.26Å; F336-I378 HydrophobicContact CB-CG1 4.45Å; F336-I378 HydrophobicContact CD1-CB 4.3Å; F336-I378 HydrophobicContact CD1-CD1 4.36Å; F336-I378 HydrophobicContact CD1-CG1 3.64Å; F336-I378 HydrophobicContact CD1-CG2 4.31Å; F336-I378 HydrophobicContact CD2-CG2 4.14Å; F336-I378 HydrophobicContact CE1-CB 4.13Å; F336-I378 HydrophobicContact CE1-CG1 3.97Å; F336-I378 HydrophobicContact CE1-CG2 4.06Å; F336-I378 HydrophobicContact CE2-CG2 3.87Å; F336-I378 HydrophobicContact CG-CD1 4.23Å; F336-I378 HydrophobicContact CG-CG1 3.99Å; F336-I378 HydrophobicContact CG-CG2 4.35Å; F336-I378 HydrophobicContact CZ-CB 4.38Å; F336-I378 HydrophobicContact CZ-CG2 3.82Å; I368-I378 HydrophobicContact CD1-CG2 3.87Å; I368-I378 HydrophobicContact CG2-CD1 4.06Å; I368-I378 HydrophobicContact CG2-CG2 4.4Å; V373-I378 HydrophobicContact CB-CD1 4.41Å; V373-I378 HydrophobicContact CB-CG1 4.34Å; V373-I378 HydrophobicContact CG1-CD1 4.1Å; V373-I378 HydrophobicContact CG1-CG1 3.52Å; L374-I378 PolarHBondContact O-N 3.05Å; L374-I378 VanDerWaalsContact O-N 3.15Å; K375-I378 PolarHBondContact O-N 3.27Å; I378-D381 PolarHBondContact O-N 3.05Å; I378-L382 HydrophobicContact CG2-CD1 4.11Å; I378-L382 WeakPolarHBondContact O-CG 3.34Å; I378-L382 PolarHBondContact O-N 3.09Å; I378-L382 VanDerWaalsContact O-N 3.11Å; I378-V401 HydrophobicContact CB-CG2 4.12Å; I378-V401 HydrophobicContact CD1-CG1 3.89Å; I378-V401 HydrophobicContact CD1-CG2 4.22Å; I378-V401 HydrophobicContact CG2-CG2 3.88Å
379I90.6Very high86Confident55 Ų5561.2 Ų61.228%0.28231%0.311SS..Hα-helixtrans-63.1-46.2178.6-61.7-61.2000110.4K375 Q377 D381 L382 S383 V395 V399 V401K375-I379 WeakPolarHBondContact O-CG1 3.34Å; K375-I379 PolarHBondContact O-N 3.25Å; K375-I379 VanDerWaalsContact O-N 3.12Å; Q377-I379 VanDerWaalsContact C-N 3.33Å; Q377-I379 PolarHBondContact O-N 3.2Å; I379-D381 VanDerWaalsContact C-N 3.34Å; I379-D381 PolarHBondContact O-N 3.16Å; I379-L382 PolarHBondContact O-N 2.81Å; I379-S383 VanDerWaalsContact O-CB 3.3Å; I379-S383 WeakPolarHBondContact O-CB 3.39Å; I379-S383 PolarHBondContact O-N 2.83Å; I379-S383 PolarHBondContact O-OG 2.98Å; I379-S383 VanDerWaalsContact O-OG 3.04Å; I379-V395 HydrophobicContact CD1-CG1 3.86Å; I379-V395 HydrophobicContact CG2-CG1 4.11Å; I379-V399 HydrophobicContact CD1-CG1 4.22Å; I379-V401 HydrophobicContact CD1-CG2 4.21Å
380Y88.5Confident84.3Confident130 Ų13067.5 Ų67.551%0.5135%0.346SS..Hα-helixtrans-58.5-43.3177.8174.4-94.9000112.8Q376 Q377 S383 Q384Q376-Y380 VanDerWaalsContact O-CB 3.28Å; Q376-Y380 WeakPolarHBondContact O-CB 3.41Å; Q376-Y380 PolarHBondContact O-N 3.11Å; Q377-Y380 PolarHBondContact O-N 3.21Å; Y380-S383 PolarHBondContact O-N 3.45Å; Y380-Q384 VanDerWaalsContact CE1-NE2 3.27Å; Y380-Q384 WeakPolarHBondContact O-CG 3.32Å; Y380-Q384 PolarHBondContact O-N 2.8Å; Y380-Q384 PolarHBondContact O-NE2 3.13Å
381D88.6Confident82.9Confident9 Ų970 Ų705%0.04836%0.359CS..Hα-helixtrans-66.8-40.6-178.3-69.2-23.6000111.5F336 T345 I353 Q377 I378 I379 Q384F336-D381 HydrophobicContact CE1-CB 4.14Å; F336-D381 HydrophobicContact CZ-CB 4.29Å; T345-D381 WeakPolarHBondContact CB-OD2 3.48Å; T345-D381 PolarHBondContact OG1-OD2 2.98Å; I353-D381 HydrophobicContact CD1-CB 4Å; I353-D381 HydrophobicContact CG1-CB 4.28Å; Q377-D381 PolarHBondContact NE2-OD1 3.24Å; Q377-D381 PolarHBondContact NE2-OD2 3.07Å; Q377-D381 WeakPolarHBondContact O-CB 3.35Å; Q377-D381 PolarHBondContact O-N 3.46Å; I378-D381 PolarHBondContact O-N 3.05Å; I379-D381 VanDerWaalsContact C-N 3.34Å; I379-D381 PolarHBondContact O-N 3.16Å; D381-Q384 WeakPolarHBondContact O-CG 3.35Å
382L89.4Confident81.6Confident0 Ų072.9 Ų72.90%038%0.378CS..Hα-helixtrans-75.1-30.1177.5-63.4176.3000112.5F336 I353 M360 I368 I378 I379 Q384 I387 S388 V395 V399F336-L382 HydrophobicContact CE2-CD1 4.22Å; F336-L382 HydrophobicContact CE2-CD2 4.17Å; F336-L382 HydrophobicContact CE2-CG 4.26Å; F336-L382 HydrophobicContact CZ-CD1 4.36Å; F336-L382 HydrophobicContact CZ-CD2 4.08Å; F336-L382 HydrophobicContact CZ-CG 3.99Å; I353-L382 HydrophobicContact CG2-CD2 4.28Å; M360-L382 HydrophobicContact SD-CD1 4.34Å; M360-L382 HydrophobicContact SD-CD2 4.4Å; I368-L382 HydrophobicContact CD1-CD1 3.78Å; I378-L382 HydrophobicContact CG2-CD1 4.11Å; I378-L382 WeakPolarHBondContact O-CG 3.34Å; I378-L382 PolarHBondContact O-N 3.09Å; I378-L382 VanDerWaalsContact O-N 3.11Å; I379-L382 PolarHBondContact O-N 2.81Å; L382-Q384 PolarHBondContact O-N 2.88Å; L382-I387 HydrophobicContact CD2-CG2 4.42Å; L382-I387 WeakPolarHBondContact O-CG2 3.48Å; L382-S388 WeakPolarHBondContact O-CB 3.33Å; L382-S388 PolarHBondContact O-OG 3.43Å; L382-V395 HydrophobicContact CB-CG1 4.22Å; L382-V395 HydrophobicContact CB-CG2 4.01Å; L382-V399 HydrophobicContact CD1-CB 4.5Å; L382-V399 HydrophobicContact CD1-CG1 3.95Å; L382-V399 HydrophobicContact CD1-CG2 3.86Å
383S88.1Confident81.1Confident52 Ų5272.7 Ų72.736%0.36438%0.382SS..THydrogen-bonded Turntrans-79.71.8177.2-650000114.2I379 Y380I379-S383 VanDerWaalsContact O-CB 3.3Å; I379-S383 WeakPolarHBondContact O-CB 3.39Å; I379-S383 PolarHBondContact O-N 2.83Å; I379-S383 PolarHBondContact O-OG 2.98Å; I379-S383 VanDerWaalsContact O-OG 3.04Å; Y380-S383 PolarHBondContact O-N 3.45Å
384Q82.4Confident80.6Confident56 Ų5673 Ų7326%0.26239%0.385SS..SBendtrans-62.2143.6177.5-69.1-54-62.200111Y380 D381 L382 S386 I387 S388Y380-Q384 VanDerWaalsContact CE1-NE2 3.27Å; Y380-Q384 WeakPolarHBondContact O-CG 3.32Å; Y380-Q384 PolarHBondContact O-N 2.8Å; Y380-Q384 PolarHBondContact O-NE2 3.13Å; D381-Q384 WeakPolarHBondContact O-CG 3.35Å; L382-Q384 PolarHBondContact O-N 2.88Å; Q384-S386 VanDerWaalsContact C-N 3.26Å; Q384-S386 PolarHBondContact O-N 2.65Å; Q384-I387 HydrophobicContact CB-CG1 4.22Å; Q384-I387 WeakPolarHBondContact O-CA 3.32Å; Q384-I387 PolarHBondContact O-N 2.85Å; Q384-S388 PolarHBondContact O-N 3.39Å
385P77.3Confident80.5Confident87 Ų8767.2 Ų67.257%0.56536%0.355SS*.THydrogen-bonded Turntrans-53.5-41.9179.7-27.734.7000113I387 E389P385-I387 PolarHBondContact O-N 2.92Å; P385-E389 WeakPolarHBondContact O-CA 3.19Å; P385-E389 WeakPolarHBondContact O-CB 3.38Å; P385-E389 WeakPolarHBondContact O-CG 3.23Å; P385-E389 PolarHBondContact O-N 2.69Å; P385-E389 VanDerWaalsContact O-N 3.08Å
386S75.1Confident80.3Confident86 Ų8665.9 Ų65.960%0.60136%0.361SS*.THydrogen-bonded Turntrans-65.3-11.3178.455.10000114.8Q384Q384-S386 VanDerWaalsContact C-N 3.26Å; Q384-S386 PolarHBondContact O-N 2.65Å
387I79.1Confident80.2Confident10 Ų1065.3 Ų65.35%0.05136%0.358CS..THydrogen-bonded Turntrans-110.3-48.2-176.8-58.1-57.7000111I353 K357 L382 Q384 P385I353-I387 HydrophobicContact CG2-CD1 3.73Å; I353-I387 HydrophobicContact CG2-CG1 3.91Å; I353-I387 HydrophobicContact CG2-CG2 4.34Å; K357-I387 HydrophobicContact CB-CG2 3.97Å; K357-I387 HydrophobicContact CD-CD1 4.17Å; K357-I387 HydrophobicContact CD-CG2 4.2Å; K357-I387 WeakPolarHBondContact CE-O 3.49Å; K357-I387 HydrophobicContact CG-CG2 3.97Å; K357-I387 WeakPolarHBondContact CG-O 3.28Å; L382-I387 HydrophobicContact CD2-CG2 4.42Å; L382-I387 WeakPolarHBondContact O-CG2 3.48Å; Q384-I387 HydrophobicContact CB-CG1 4.22Å; Q384-I387 WeakPolarHBondContact O-CA 3.32Å; Q384-I387 PolarHBondContact O-N 2.85Å; P385-I387 PolarHBondContact O-N 2.92Å
388S72Confident80.6Confident13 Ų1363.7 Ų63.79%0.09135%0.351CS..SBendtrans-120.550.6-178.6-680000111.9L382 Q384 D390L382-S388 WeakPolarHBondContact O-CB 3.33Å; L382-S388 PolarHBondContact O-OG 3.43Å; Q384-S388 PolarHBondContact O-N 3.39Å; S388-D390 PolarHBondContact O-N 3.47Å
389E66.6Low80.8Confident150 Ų15064.2 Ų64.270%0.70135%0.354SS*.THydrogen-bonded Turntrans-59.3-32.7-175.3-130.8159.5-128.200112.7P385P385-E389 WeakPolarHBondContact O-CA 3.19Å; P385-E389 WeakPolarHBondContact O-CB 3.38Å; P385-E389 WeakPolarHBondContact O-CG 3.23Å; P385-E389 PolarHBondContact O-N 2.69Å; P385-E389 VanDerWaalsContact O-N 3.08Å
390D61.3Low81.1Confident156 Ų15664.3 Ų64.383%0.83436%0.358SS*.THydrogen-bonded Turntrans-91-21.7-170-63-43.9000114.8S388S388-D390 PolarHBondContact O-N 3.47Å
391N66.8Low81.5Confident64 Ų6459.3 Ų59.334%0.34234%0.341SS..  trans-159.1101.1-179.7-174.9-1.6000111.7D393 S394N391-D393 PolarHBondContact O-N 2.87Å; N391-D393 WeakPolarHBondContact OD1-CB 3.48Å; N391-D393 PolarHBondContact OD1-N 3.03Å; N391-S394 WeakPolarHBondContact O-CB 3.37Å; N391-S394 PolarHBondContact O-N 3.03Å; N391-S394 VanDerWaalsContact O-N 3.08Å; N391-S394 PolarHBondContact O-OG 3.44Å
392P64Low81.9Confident101 Ų10159.4 Ų59.466%0.65634%0.341SS*.THydrogen-bonded Turntrans-59.3-29.1178.3-23.133.2000113.9S394P392-S394 VanDerWaalsContact C-N 3.29Å; P392-S394 PolarHBondContact O-N 3.08Å
393D77.4Confident82.1Confident101 Ų10164.5 Ų64.554%0.5438%0.377SS..THydrogen-bonded Turntrans-78.6-15.5-179.3-63.1-34.3000112.2N391 V395 S396 E397N391-D393 PolarHBondContact O-N 2.87Å; N391-D393 WeakPolarHBondContact OD1-CB 3.48Å; N391-D393 PolarHBondContact OD1-N 3.03Å; D393-V395 PolarHBondContact O-N 2.9Å; D393-S396 WeakPolarHBondContact O-CB 3.42Å; D393-S396 PolarHBondContact O-N 3.1Å; D393-S396 PolarHBondContact O-OG 3.13Å; D393-E397 PolarHBondContact O-N 2.85Å; D393-E397 VanDerWaalsContact O-N 3.1Å
394S79.1Confident82.5Confident17 Ų1765 Ų6512%0.11938%0.376CS..Hα-helixtrans-55.4-37.1-178.763.50000113.2N391 P392 S396 E397 L398N391-S394 WeakPolarHBondContact O-CB 3.37Å; N391-S394 PolarHBondContact O-N 3.03Å; N391-S394 VanDerWaalsContact O-N 3.08Å; N391-S394 PolarHBondContact O-OG 3.44Å; P392-S394 VanDerWaalsContact C-N 3.29Å; P392-S394 PolarHBondContact O-N 3.08Å; S394-S396 VanDerWaalsContact C-N 3.33Å; S394-S396 PolarHBondContact O-N 2.78Å; S394-E397 PolarHBondContact O-N 3.38Å; S394-L398 WeakPolarHBondContact O-CB 3.4Å; S394-L398 WeakPolarHBondContact O-CG 3.42Å; S394-L398 PolarHBondContact O-N 3.19Å
395V85.8Confident83.2Confident2 Ų262.6 Ų62.61%0.01237%0.365CS..Hα-helixtrans-63.8-42.7177.3-179.30000110.3M360 I379 L382 D393 E397 V399M360-V395 HydrophobicContact CE-CG2 3.87Å; I379-V395 HydrophobicContact CD1-CG1 3.86Å; I379-V395 HydrophobicContact CG2-CG1 4.11Å; L382-V395 HydrophobicContact CB-CG1 4.22Å; L382-V395 HydrophobicContact CB-CG2 4.01Å; D393-V395 PolarHBondContact O-N 2.9Å; V395-E397 VanDerWaalsContact C-N 3.31Å; V395-E397 PolarHBondContact O-N 3.18Å; V395-V399 HydrophobicContact CG1-CB 4.13Å; V395-V399 HydrophobicContact CG1-CG2 4.1Å; V395-V399 WeakPolarHBondContact O-CA 3.33Å; V395-V399 WeakPolarHBondContact O-CB 3.4Å; V395-V399 PolarHBondContact O-N 3.5Å
396S86.4Confident84.2Confident94 Ų9461 Ų6166%0.65735%0.348SS*.Hα-helixtrans-68.8-30.3179.774.60000113.1D393 S394D393-S396 WeakPolarHBondContact O-CB 3.42Å; D393-S396 PolarHBondContact O-N 3.1Å; D393-S396 PolarHBondContact O-OG 3.13Å; S394-S396 VanDerWaalsContact C-N 3.33Å; S394-S396 PolarHBondContact O-N 2.78Å
397E88.5Confident85.3Confident129 Ų12961 Ų6160%0.60334%0.338SS*.Hα-helixtrans-83.5-37.1179.8-66.9-176.7166.900113.2D393 S394 V395D393-E397 PolarHBondContact O-N 2.85Å; D393-E397 VanDerWaalsContact O-N 3.1Å; S394-E397 PolarHBondContact O-N 3.38Å; V395-E397 VanDerWaalsContact C-N 3.31Å; V395-E397 PolarHBondContact O-N 3.18Å
398L94.3Very high86.1Confident25 Ų2560.5 Ų60.513%0.13134%0.336CS..Hα-helixtrans-104.3-23.1-168.8-59.8179.4000113.5M360 K365 L366 S394M360-L398 HydrophobicContact CB-CD1 4.17Å; M360-L398 HydrophobicContact CG-CD1 4.39Å; K365-L398 CarbonylContact C-O 3.58Å; K365-L398 WeakPolarHBondContact CA-O 3.29Å; K365-L398 HydrophobicContact CG-CD2 4.38Å; L366-L398 PolarHBondContact N-O 3.31Å; S394-L398 WeakPolarHBondContact O-CB 3.4Å; S394-L398 WeakPolarHBondContact O-CG 3.42Å; S394-L398 PolarHBondContact O-N 3.19Å
399V95.8Very high87.4Confident11 Ų1159.9 Ų59.97%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-109.4123.8-171.8-175.30000111.6M360 I368 I379 L382 V395M360-V399 HydrophobicContact CE-CG2 4.21Å; M360-V399 HydrophobicContact CG-CG2 4.46Å; M360-V399 HydrophobicContact SD-CG2 3.79Å; I368-V399 HydrophobicContact CD1-CG1 3.69Å; I368-V399 HydrophobicContact CG1-CG1 4.28Å; I379-V399 HydrophobicContact CD1-CG1 4.22Å; L382-V399 HydrophobicContact CD1-CB 4.5Å; L382-V399 HydrophobicContact CD1-CG1 3.95Å; L382-V399 HydrophobicContact CD1-CG2 3.86Å; V395-V399 HydrophobicContact CG1-CB 4.13Å; V395-V399 HydrophobicContact CG1-CG2 4.1Å; V395-V399 WeakPolarHBondContact O-CA 3.33Å; V395-V399 WeakPolarHBondContact O-CB 3.4Å; V395-V399 PolarHBondContact O-N 3.5Å
400T97.1Very high88.9Confident58 Ų5857 Ų5736%0.35632%0.318SS..EExtended strand (participates in β ladder)trans-119.2120.7169.7-60.30000109.5L366 F367 I368 T402L366-T400 PolarHBondContact O-N 2.95Å; F367-T400 CarbonylContact C-O 3.58Å; F367-T400 VanDerWaalsContact CA-O 3.26Å; F367-T400 WeakPolarHBondContact CA-O 3.28Å; F367-T400 HydrophobicContact CD1-CG2 3.81Å; F367-T400 HydrophobicContact CE1-CG2 3.7Å; F367-T400 HydrophobicContact CZ-CG2 4.46Å; I368-T400 PolarHBondContact N-O 3.02Å; T400-T402 HydrophobicContact CG2-CG2 4.36Å
401V96.8Very high90.6Very high25 Ų2552.4 Ų52.415%0.15230%0.298CS..EExtended strand (participates in β ladder)trans-91.2124.7173.2-176.60000109.2K375 I378 I379K375-V401 HydrophobicContact CB-CB 4.32Å; K375-V401 HydrophobicContact CB-CG1 3.99Å; K375-V401 HydrophobicContact CD-CB 4.12Å; K375-V401 HydrophobicContact CG-CB 3.84Å; K375-V401 HydrophobicContact CG-CG1 4.09Å; K375-V401 HydrophobicContact CG-CG2 4.05Å; I378-V401 HydrophobicContact CB-CG2 4.12Å; I378-V401 HydrophobicContact CD1-CG1 3.89Å; I378-V401 HydrophobicContact CD1-CG2 4.22Å; I378-V401 HydrophobicContact CG2-CG2 3.88Å; I379-V401 HydrophobicContact CD1-CG2 4.21Å
402T96.6Very high92.1Very high10 Ų1049.4 Ų49.46%0.06128%0.282CS..  trans-107.6158.8-177.360.90000111.2F367 I368 T400 E407 A408F367-T402 HydrophobicContact CB-CG2 4.43Å; F367-T402 HydrophobicContact CD1-CG2 3.93Å; I368-T402 PolarHBondContact O-N 3.44Å; I368-T402 PolarHBondContact O-OG1 3.07Å; I368-T402 VanDerWaalsContact O-OG1 3.04Å; T400-T402 HydrophobicContact CG2-CG2 4.36Å; T402-E407 HydrophobicContact CG2-CB 4.42Å; T402-E407 HydrophobicContact CG2-CG 4.09Å; T402-A408 HydrophobicContact CG2-CB 4.39Å
403S94.4Very high93.7Very high107 Ų10746.9 Ų46.975%0.74826%0.262SS*.SBendtrans-103.1-4.317863.40000113.7Y369Y369-S403 VanDerWaalsContact CE2-O 3.27Å; Y369-S403 WeakPolarHBondContact CE2-O 3.47Å
404D95.8Very high94.7Very high63 Ų6342.1 Ų42.134%0.33724%0.236SC..SBendtrans-137.2126.6-178.3175.819000109.9Y406 E407 A408D404-Y406 PolarHBondContact O-N 3.15Å; D404-Y406 WeakPolarHBondContact OD1-CD2 3.37Å; D404-Y406 PolarHBondContact OD1-N 3.19Å; D404-Y406 VanDerWaalsContact OD1-N 3.17Å; D404-E407 HydrophobicContact CB-CB 4.2Å; D404-E407 WeakPolarHBondContact O-CB 3.35Å; D404-E407 PolarHBondContact O-N 3.23Å; D404-E407 VanDerWaalsContact O-N 3.1Å; D404-A408 PolarHBondContact O-N 3.33Å
405P97.3Very high95.6Very high5 Ų541.3 Ų41.33%0.03223%0.23CC..Hα-helixtrans-59.1-28.3177.624.6-35.9000113L334 Y369 A408 C409 M423 L427L334-P405 HydrophobicContact CD2-CB 4.08Å; Y369-P405 HydrophobicContact CD1-CB 3.81Å; Y369-P405 HydrophobicContact CD1-CG 4.27Å; Y369-P405 HydrophobicContact CE1-CB 4.12Å; Y369-P405 HydrophobicContact CE1-CG 4.07Å; Y369-P405 HydrophobicContact CG-CB 4.19Å; P405-A408 PolarHBondContact O-N 2.9Å; P405-C409 PolarHBondContact O-N 2.75Å; P405-C409 PolarHBondContact O-SG 3.41Å; P405-M423 HydrophobicContact CG-CE 4.37Å; P405-L427 HydrophobicContact CB-CD1 4.17Å; P405-L427 HydrophobicContact CB-CD2 4.42Å; P405-L427 HydrophobicContact CG-CD1 4.45Å; P405-L427 HydrophobicContact CG-CD2 3.82Å
406Y97.9Very high96.3Very high53 Ų5341.2 Ų41.221%0.20823%0.23CC..Hα-helixtrans-69.7-34.2177.5-58.8-74.5000112.4D404 C409 Q410 L427 D428 K431 I432D404-Y406 PolarHBondContact O-N 3.15Å; D404-Y406 WeakPolarHBondContact OD1-CD2 3.37Å; D404-Y406 PolarHBondContact OD1-N 3.19Å; D404-Y406 VanDerWaalsContact OD1-N 3.17Å; Y406-C409 PolarHBondContact O-N 2.74Å; Y406-Q410 PolarHBondContact O-N 2.78Å; Y406-Q410 VanDerWaalsContact O-N 3.1Å; Y406-L427 HydrophobicContact CE2-CD2 4.48Å; Y406-D428 HydrophobicContact CE1-CB 4.08Å; Y406-D428 PolarHBondContact OH-N 2.86Å; Y406-D428 VanDerWaalsContact OH-N 3.1Å; Y406-K431 HydrophobicContact CD1-CD 4.17Å; Y406-K431 HydrophobicContact CE1-CD 4.19Å; Y406-I432 HydrophobicContact CD1-CD1 4.2Å; Y406-I432 HydrophobicContact CD1-CG1 3.68Å; Y406-I432 HydrophobicContact CE1-CD1 4.13Å; Y406-I432 HydrophobicContact CE1-CG1 3.94Å
407E97.7Very high96.8Very high86 Ų8636.7 Ų36.740%0.40220%0.198SC..Hα-helixtrans-65.5-43.5174.3-173.2-167.417300110.9K330 T402 D404 C409 Q410K330-E407 PolarHBondContact NZ-O 2.97Å; T402-E407 HydrophobicContact CG2-CB 4.42Å; T402-E407 HydrophobicContact CG2-CG 4.09Å; D404-E407 HydrophobicContact CB-CB 4.2Å; D404-E407 WeakPolarHBondContact O-CB 3.35Å; D404-E407 PolarHBondContact O-N 3.23Å; D404-E407 VanDerWaalsContact O-N 3.1Å; E407-C409 PolarHBondContact O-N 3.39Å; E407-Q410 PolarHBondContact O-N 2.83Å
408A97.2Very high97.2Very high0 Ų030.6 Ų30.60%017%0.17CC..Hα-helixtrans-56.4-42.3175.600000111.3K330 A332 L334 F367 T402 D404 P405K330-A408 WeakPolarHBondContact CE-O 3.47Å; K330-A408 PolarHBondContact NZ-O 2.82Å; A332-A408 HydrophobicContact CB-CB 4.13Å; A332-A408 WeakPolarHBondContact CB-O 3.46Å; L334-A408 HydrophobicContact CD2-CB 4.27Å; F367-A408 HydrophobicContact CB-CB 4.2Å; T402-A408 HydrophobicContact CG2-CB 4.39Å; D404-A408 PolarHBondContact O-N 3.33Å; P405-A408 PolarHBondContact O-N 2.9Å
409C98Very high97.3Very high1 Ų129.4 Ų29.41%0.00716%0.163CC..Hα-helixtrans-82.8-15.7-175.9-57.20000114.8A332 P405 Y406 E407 S411 A412 L415 I432 M436A332-C409 HydrophobicContact CB-CB 4.43Å; P405-C409 PolarHBondContact O-N 2.75Å; P405-C409 PolarHBondContact O-SG 3.41Å; Y406-C409 PolarHBondContact O-N 2.74Å; E407-C409 PolarHBondContact O-N 3.39Å; C409-S411 PolarHBondContact O-N 3.19Å; C409-A412 VanDerWaalsContact O-CB 3.31Å; C409-A412 WeakPolarHBondContact O-CB 3.29Å; C409-A412 PolarHBondContact O-N 2.83Å; C409-A412 VanDerWaalsContact O-N 3.08Å; C409-L415 VanDerWaalsContact SG-CD1 3.55Å; C409-I432 HydrophobicContact CB-CG1 4.43Å; C409-I432 HydrophobicContact CB-CG2 3.69Å; C409-M436 VanDerWaalsContact O-CG 3.27Å; C409-M436 WeakPolarHBondContact O-CG 3.36Å
410Q97.8Very high97.2Very high90 Ų9030.9 Ų30.942%0.42117%0.17SC..THydrogen-bonded Turntrans-61.5124.5-178.4179.4171.7-17.500111.8K330 Y406 E407 A412 K435K330-Q410 WeakPolarHBondContact CD-O 3.27Å; K330-Q410 WeakPolarHBondContact CE-O 3.33Å; K330-Q410 PolarHBondContact NZ-O 2.83Å; Y406-Q410 PolarHBondContact O-N 2.78Å; Y406-Q410 VanDerWaalsContact O-N 3.1Å; E407-Q410 PolarHBondContact O-N 2.83Å; Q410-A412 PolarHBondContact O-N 2.87Å; Q410-K435 HydrophobicContact CG-CD 4.46Å
411S97.9Very high97.1Very high59 Ų5928.9 Ų28.941%0.41316%0.156SC..THydrogen-bonded Turntrans5721.4-175.4-51.10000114.5C409 K435 L437C409-S411 PolarHBondContact O-N 3.19Å; S411-K435 WeakPolarHBondContact CA-O 3.42Å; S411-K435 PolarHBondContact N-O 3.26Å; S411-L437 WeakPolarHBondContact O-CD1 3.42Å
412A98.4Very high97Very high0 Ų031 Ų310%017%0.166CC..  trans-77.6150.5173.500000111.4K330 A332 C409 Q410 M436 L437K330-A412 HydrophobicContact CD-CB 4.5Å; K330-A412 HydrophobicContact CG-CB 4.05Å; K330-A412 WeakPolarHBondContact O-CA 3.36Å; A332-A412 HydrophobicContact CB-CB 4.22Å; C409-A412 VanDerWaalsContact O-CB 3.31Å; C409-A412 WeakPolarHBondContact O-CB 3.29Å; C409-A412 PolarHBondContact O-N 2.83Å; C409-A412 VanDerWaalsContact O-N 3.08Å; Q410-A412 PolarHBondContact O-N 2.87Å; A412-M436 HydrophobicContact CB-CE 4.24Å; A412-M436 HydrophobicContact CB-CG 4.47Å; A412-M436 WeakPolarHBondContact O-CB 3.5Å; A412-L437 PolarHBondContact O-N 2.91Å
413H98.3Very high97Very high49 Ų4933.7 Ų33.723%0.22718%0.179CC..SBendtrans-85.1-35.7171.7-62.180.4000111.3L322 K330 L437 F441L322-H413 HydrophobicContact CD2-CB 4.19Å; K330-H413 PolarHBondContact N-ND1 3.21Å; K330-H413 PolarHBondContact O-N 3.05Å; K330-H413 PolarHBondContact O-ND1 3.39Å; H413-L437 WeakPolarHBondContact CE1-CD1 3.44Å; H413-L437 WeakPolarHBondContact NE2-CD1 3.5Å; H413-F441 PolarHBondContact O-N 3.37Å; H413-F441 VanDerWaalsContact O-N 3.13Å
414A98.4Very high97.1Very high0 Ų028.6 Ų28.60%014%0.143CC..EExtended strand (participates in β ladder)trans-138.2148-179.600000110.9L322 I331 A332 F441 F443L322-A414 HydrophobicContact CD1-CB 4.01Å; L322-A414 HydrophobicContact CD2-CB 4.34Å; I331-A414 HydrophobicContact CG1-CB 4.5Å; I331-A414 HydrophobicContact CG2-CB 4.28Å; A332-A414 PolarHBondContact N-O 3.26Å; A414-F441 CarbonylContact C-O 3.54Å; A414-F441 WeakPolarHBondContact CA-O 3.49Å; A414-F441 HydrophobicContact CB-CB 4.09Å; A414-F443 HydrophobicContact CB-CD2 4.11Å; A414-F443 HydrophobicContact CB-CE2 3.86Å
415L98Very high97.1Very high0 Ų030.2 Ų30.20%014%0.144CC..EExtended strand (participates in β ladder)trans-111.7126.9167.1-179.4168.9000107.5A332 L334 C409 I417 Y429 I432 M436 F441 I442 F443A332-L415 CarbonylContact O-C 3.55Å; A332-L415 WeakPolarHBondContact O-CA 3.27Å; L334-L415 HydrophobicContact CD1-CD1 3.89Å; L334-L415 HydrophobicContact CD1-CD2 3.84Å; L334-L415 HydrophobicContact CD1-CG 3.88Å; L334-L415 HydrophobicContact CG-CD2 4.24Å; L334-L415 HydrophobicContact CG-CG 4.24Å; C409-L415 VanDerWaalsContact SG-CD1 3.55Å; L415-I417 HydrophobicContact CD2-CD1 4.1Å; L415-I417 HydrophobicContact CD2-CG1 3.51Å; L415-Y429 HydrophobicContact CD1-CE1 4.26Å; L415-I432 HydrophobicContact CD1-CG2 4.27Å; L415-M436 HydrophobicContact CB-CE 4.34Å; L415-F441 PolarHBondContact N-O 2.91Å; L415-I442 HydrophobicContact CB-CG1 4.39Å; L415-I442 HydrophobicContact CD2-CG2 4.3Å; L415-I442 CarbonylContact O-C 3.53Å; L415-I442 WeakPolarHBondContact O-CA 3.45Å; L415-F443 PolarHBondContact O-N 2.9Å
416V98.6Very high97Very high0 Ų037.9 Ų37.90%018%0.18CC..EExtended strand (participates in β ladder)trans-120.7121.1-177.8-174.40000108.5F314 I318 I331 A332 L333 L334 F443F314-V416 HydrophobicContact CE1-CG1 3.77Å; F314-V416 HydrophobicContact CZ-CG1 4.21Å; I318-V416 HydrophobicContact CD1-CG1 3.83Å; I318-V416 HydrophobicContact CD1-CG2 3.88Å; I318-V416 HydrophobicContact CG1-CG2 4.5Å; I331-V416 HydrophobicContact CG2-CG2 3.68Å; A332-V416 PolarHBondContact O-N 3.25Å; L333-V416 WeakPolarHBondContact CA-O 3.44Å; L334-V416 PolarHBondContact N-O 3.01Å; V416-F443 WeakPolarHBondContact CA-O 3.49Å; V416-F443 HydrophobicContact CG1-CB 4.4Å; V416-F443 HydrophobicContact CG2-CB 4.35Å; V416-F443 HydrophobicContact CG2-CD2 4.19Å
417I98.4Very high97Very high0 Ų036.2 Ų36.20%018%0.175CC..EExtended strand (participates in β ladder)trans-97.9114.9176.4-56.7-178.4000109L334 L415 T419 F424 F443 G445 V448 L449L334-I417 HydrophobicContact CB-CG1 4.45Å; L415-I417 HydrophobicContact CD2-CD1 4.1Å; L415-I417 HydrophobicContact CD2-CG1 3.51Å; I417-T419 WeakPolarHBondContact CG2-O 3.37Å; I417-F424 HydrophobicContact CG2-CD2 4.04Å; I417-F443 PolarHBondContact N-O 3.45Å; I417-G445 WeakPolarHBondContact O-CA 3.4Å; I417-G445 PolarHBondContact O-N 3.22Å; I417-V448 HydrophobicContact CD1-CG1 3.69Å; I417-V448 HydrophobicContact CG2-CG1 3.95Å; I417-L449 HydrophobicContact CD1-CD1 3.62Å; I417-L449 HydrophobicContact CD1-CD2 4.21Å; I417-L449 HydrophobicContact CD1-CG 3.84Å
418C96.6Very high97Very high0 Ų035.7 Ų35.70%017%0.174CC..  trans-108.3-13.7-179.6-66.90000113.5L333 L334 S352 R446L333-C418 HydrophobicContact CD2-CB 4.43Å; L334-C418 PolarHBondContact O-N 2.91Å; S352-C418 WeakPolarHBondContact OG-CB 3.48Å; C418-R446 VanDerWaalsContact O-CZ 3.25Å; C418-R446 PolarHBondContact O-NE 2.91Å; C418-R446 PolarHBondContact O-NH2 2.87Å
419T95.5Very high97Very high0 Ų036.1 Ų36.10%018%0.176CC..SBendtrans-135.3138.7177.9-41.40000111.4G335 F336 S337 I417 W421 F424G335-T419 VanDerWaalsContact CA-OG1 3.28Å; G335-T419 WeakPolarHBondContact CA-OG1 3.4Å; G335-T419 PolarHBondContact O-OG1 2.79Å; F336-T419 PolarHBondContact N-OG1 2.97Å; S337-T419 VanDerWaalsContact O-CG2 3.27Å; S337-T419 WeakPolarHBondContact O-CG2 3.47Å; S337-T419 PolarHBondContact O-OG1 3.15Å; I417-T419 WeakPolarHBondContact CG2-O 3.37Å; T419-W421 PolarHBondContact O-N 2.84Å; T419-F424 WeakPolarHBondContact O-CD2 3.48Å; T419-F424 WeakPolarHBondContact O-CE2 3.48Å
420E94.5Very high97Very high43 Ų4340.9 Ų40.920%0.20120%0.198CC..  trans-80.742.1-172.868.9-7216900115K339 K340 D422 R446K339-E420 WeakPolarHBondContact CA-OE1 3.36Å; K339-E420 WeakPolarHBondContact CB-OE1 3.15Å; K340-E420 HydrophobicContact CB-CG 4.27Å; K340-E420 HydrophobicContact CD-CG 4.26Å; K340-E420 WeakPolarHBondContact CD-O 3.3Å; K340-E420 HydrophobicContact CG-CG 4.14Å; K340-E420 PolarHBondContact N-OE1 2.88Å; E420-D422 PolarHBondContact O-N 3.28Å; E420-R446 HydrophobicContact CB-CB 4.02Å; E420-R446 HydrophobicContact CB-CG 4.23Å; E420-R446 IonicContact OE1-NH1 2.82Å; E420-R446 VanDerWaalsContact OE2-CD 3.31Å; E420-R446 WeakPolarHBondContact OE2-CD 3.39Å; E420-R446 IonicContact OE2-CZ 2.84Å; E420-R446 IonicContact OE2-NE 3.36Å; E420-R446 PolarHBondContact OE2-NE 3.21Å; E420-R446 IonicContact OE2-NH1 2.69Å; E420-R446 PolarHBondContact OE2-NH1 2.94Å; E420-R446 IonicContact OE2-NH2 2.73Å
421W95.4Very high97Very high16 Ų1640.8 Ų40.86%0.06120%0.196CC..  trans-60.6130.3175.3-70.4105.4000111.3S337 K340 T342 D370 P371 K372 T419 M423 F424S337-W421 WeakPolarHBondContact OG-CZ2 3.46Å; S337-W421 PolarHBondContact OG-NE1 2.84Å; S337-W421 VanDerWaalsContact OG-NE1 3.1Å; K340-W421 HydrophobicContact CB-CD2 4.14Å; K340-W421 HydrophobicContact CB-CE3 4.01Å; K340-W421 HydrophobicContact CB-CZ3 4.42Å; T342-W421 WeakPolarHBondContact O-CZ2 3.44Å; D370-W421 PolarHBondContact OD2-NE1 2.89Å; P371-W421 HydrophobicContact CG-CD2 3.48Å; P371-W421 VanDerWaalsContact CG-CD2 3.48Å; P371-W421 VanDerWaalsContact CG-CE2 3.48Å; P371-W421 HydrophobicContact CG-CE3 3.87Å; P371-W421 HydrophobicContact CG-CG 3.85Å; P371-W421 HydrophobicContact CG-CH2 4.23Å; P371-W421 HydrophobicContact CG-CZ2 3.89Å; P371-W421 HydrophobicContact CG-CZ3 4.21Å; K372-W421 HydrophobicContact CB-CH2 4.09Å; K372-W421 HydrophobicContact CB-CZ2 4.17Å; K372-W421 HydrophobicContact CG-CH2 3.54Å; K372-W421 HydrophobicContact CG-CZ2 4.07Å; K372-W421 HydrophobicContact CG-CZ3 4.25Å; T419-W421 PolarHBondContact O-N 2.84Å; W421-M423 HydrophobicContact CB-CG 4.11Å; W421-M423 PolarHBondContact O-N 3.42Å; W421-F424 HydrophobicContact CB-CD2 3.82Å; W421-F424 HydrophobicContact CB-CE2 3.72Å; W421-F424 HydrophobicContact CB-CG 4.28Å; W421-F424 HydrophobicContact CB-CZ 4.07Å; W421-F424 AromaticContact CD1-CE2 3.68Å; W421-F424 AromaticContact CD1-CZ 3.88Å; W421-F424 HydrophobicContact CG-CE2 4.1Å; W421-F424 HydrophobicContact CG-CZ 4.3Å; W421-F424 WeakPolarHBondContact O-CB 3.49Å; W421-F424 PolarHBondContact O-N 2.76Å
422D94.4Very high97Very high69 Ų6938.1 Ų38.137%0.36918%0.178SC..G310 helixtrans-61.9-32.2-174.8-64.8-42000111.9K340 E420 F424 R425K340-D422 IonicContact NZ-OD1 3.21Å; K340-D422 PolarHBondContact NZ-OD1 3.26Å; K340-D422 IonicContact NZ-OD2 3.78Å; K340-D422 PolarHBondContact NZ-OD2 3Å; E420-D422 PolarHBondContact O-N 3.28Å; D422-F424 PolarHBondContact O-N 3.1Å; D422-F424 VanDerWaalsContact O-N 3.09Å; D422-R425 VanDerWaalsContact O-CB 3.31Å; D422-R425 WeakPolarHBondContact O-CB 3.47Å; D422-R425 WeakPolarHBondContact O-CG 3.36Å; D422-R425 PolarHBondContact O-N 3.45Å
423M95.9Very high97Very high66 Ų6640.8 Ų40.833%0.32519%0.188SC..G310 helixtrans-57.7-25.1176.571.5176.9-66.400114Y369 P371 P405 W421 R425 E426Y369-M423 HydrophobicContact CE1-CE 3.9Å; Y369-M423 HydrophobicContact CE1-SD 4Å; Y369-M423 WeakPolarHBondContact OH-CE 3.37Å; P371-M423 HydrophobicContact CB-SD 3.9Å; P371-M423 HydrophobicContact CG-SD 4.03Å; P405-M423 HydrophobicContact CG-CE 4.37Å; W421-M423 HydrophobicContact CB-CG 4.11Å; W421-M423 PolarHBondContact O-N 3.42Å; M423-R425 PolarHBondContact O-N 2.82Å; M423-E426 PolarHBondContact O-N 3.03Å
424F97.1Very high96.9Very high0 Ų045.1 Ų45.10%021%0.206CC..G310 helixtrans-69.8-21.3178.6-60.8-27.6000112.2L334 Y369 I417 T419 W421 D422 E426 L427 Y429L334-F424 HydrophobicContact CB-CD1 4.5Å; L334-F424 HydrophobicContact CB-CD2 4.36Å; L334-F424 HydrophobicContact CB-CE1 4.06Å; L334-F424 HydrophobicContact CB-CE2 3.88Å; L334-F424 HydrophobicContact CB-CZ 3.74Å; L334-F424 HydrophobicContact CD1-CD1 4.39Å; L334-F424 HydrophobicContact CD1-CE1 4.49Å; Y369-F424 AromaticContact CD1-CE1 3.87Å; Y369-F424 HydrophobicContact CD1-CE1 3.87Å; Y369-F424 HydrophobicContact CD1-CZ 4.21Å; Y369-F424 AromaticContact CE1-CE1 3.87Å; Y369-F424 HydrophobicContact CE1-CE1 3.87Å; Y369-F424 HydrophobicContact CE1-CZ 4.41Å; I417-F424 HydrophobicContact CG2-CD2 4.04Å; T419-F424 WeakPolarHBondContact O-CD2 3.48Å; T419-F424 WeakPolarHBondContact O-CE2 3.48Å; W421-F424 HydrophobicContact CB-CD2 3.82Å; W421-F424 HydrophobicContact CB-CE2 3.72Å; W421-F424 HydrophobicContact CB-CG 4.28Å; W421-F424 HydrophobicContact CB-CZ 4.07Å; W421-F424 AromaticContact CD1-CE2 3.68Å; W421-F424 AromaticContact CD1-CZ 3.88Å; W421-F424 HydrophobicContact CG-CE2 4.1Å; W421-F424 HydrophobicContact CG-CZ 4.3Å; W421-F424 WeakPolarHBondContact O-CB 3.49Å; W421-F424 PolarHBondContact O-N 2.76Å; D422-F424 PolarHBondContact O-N 3.1Å; D422-F424 VanDerWaalsContact O-N 3.09Å; F424-E426 PolarHBondContact O-N 2.76Å; F424-L427 HydrophobicContact CD1-CD1 4.09Å; F424-Y429 PolarHBondContact O-OH 2.94Å
425R95.3Very high96.9Very high97 Ų9750 Ų5037%0.36623%0.227SC..G310 helixtrans-69.5-23.9174.2-60.1175.3180-94.5-5.2112.7D422 M423 V448D422-R425 VanDerWaalsContact O-CB 3.31Å; D422-R425 WeakPolarHBondContact O-CB 3.47Å; D422-R425 WeakPolarHBondContact O-CG 3.36Å; D422-R425 PolarHBondContact O-N 3.45Å; M423-R425 PolarHBondContact O-N 2.82Å; R425-V448 HydrophobicContact CG-CG2 3.49Å; R425-V448 VanDerWaalsContact CG-CG2 3.49Å; R425-V448 PolarHBondContact NH1-O 3.27Å
426E95.6Very high96.9Very high167 Ų16750.3 Ų50.378%0.7823%0.229SC*.G310 helixtrans-109.27-167.1-60178.2-178.400112.9M423 F424M423-E426 PolarHBondContact O-N 3.03Å; F424-E426 PolarHBondContact O-N 2.76Å
427L97.1Very high96.9Very high18 Ų1853.9 Ų53.99%0.09425%0.248CC..SBendtrans-68.8147.8179.5-64178.3000111.8L334 P405 Y406 F424 Y429 I432L334-L427 HydrophobicContact CD1-CD1 4.13Å; P405-L427 HydrophobicContact CB-CD1 4.17Å; P405-L427 HydrophobicContact CB-CD2 4.42Å; P405-L427 HydrophobicContact CG-CD1 4.45Å; P405-L427 HydrophobicContact CG-CD2 3.82Å; Y406-L427 HydrophobicContact CE2-CD2 4.48Å; F424-L427 HydrophobicContact CD1-CD1 4.09Å; L427-Y429 HydrophobicContact CB-CD2 4.47Å; L427-Y429 HydrophobicContact CB-CE2 4.13Å; L427-Y429 WeakPolarHBondContact O-CD2 3.49Å; L427-Y429 PolarHBondContact O-N 2.79Å; L427-I432 HydrophobicContact CB-CD1 4.1Å; L427-I432 HydrophobicContact CD1-CD1 4.25Å
428D97.7Very high96.8Very high75 Ų7558.8 Ų58.840%0.40127%0.269SS..  trans-75.288.5171.8-178.4-13.3000110.1Y406 E430 K431 I432Y406-D428 HydrophobicContact CE1-CB 4.08Å; Y406-D428 PolarHBondContact OH-N 2.86Å; Y406-D428 VanDerWaalsContact OH-N 3.1Å; D428-E430 VanDerWaalsContact C-N 3.29Å; D428-E430 PolarHBondContact O-N 3.17Å; D428-E430 PolarHBondContact OD1-N 3.44Å; D428-K431 HydrophobicContact CB-CB 4.05Å; D428-K431 PolarHBondContact O-N 2.85Å; D428-K431 WeakPolarHBondContact OD1-CB 3.28Å; D428-K431 PolarHBondContact OD1-N 2.79Å; D428-K431 WeakPolarHBondContact OD2-CB 3.48Å; D428-I432 WeakPolarHBondContact O-CG1 3.46Å; D428-I432 PolarHBondContact O-N 2.81Å; D428-I432 VanDerWaalsContact O-N 3.08Å
429Y98Very high96.8Very high8 Ų861.2 Ų61.23%0.03129%0.285CS..Hα-helixtrans-68.4-25.4-179.2-77.7-75.9000113.6L415 F424 L427 I432 Y433 I442 L449 L452 L456 F461L415-Y429 HydrophobicContact CD1-CE1 4.26Å; F424-Y429 PolarHBondContact O-OH 2.94Å; L427-Y429 HydrophobicContact CB-CD2 4.47Å; L427-Y429 HydrophobicContact CB-CE2 4.13Å; L427-Y429 WeakPolarHBondContact O-CD2 3.49Å; L427-Y429 PolarHBondContact O-N 2.79Å; Y429-I432 HydrophobicContact CD1-CD1 4.14Å; Y429-I432 HydrophobicContact CE1-CD1 4.34Å; Y429-I432 PolarHBondContact O-N 2.94Å; Y429-Y433 VanDerWaalsContact O-CB 3.31Å; Y429-Y433 WeakPolarHBondContact O-CB 3.29Å; Y429-Y433 PolarHBondContact O-N 2.89Å; Y429-I442 HydrophobicContact CD1-CD1 4.06Å; Y429-I442 HydrophobicContact CE1-CD1 4.12Å; Y429-L449 HydrophobicContact CE1-CD1 4.21Å; Y429-L449 HydrophobicContact CE2-CD2 4.07Å; Y429-L449 WeakPolarHBondContact OH-CD1 3.45Å; Y429-L449 WeakPolarHBondContact OH-CD2 3.33Å; Y429-L452 HydrophobicContact CD2-CD1 4.18Å; Y429-L452 HydrophobicContact CE2-CD1 3.98Å; Y429-L456 VanDerWaalsContact CB-CD2 3.47Å; Y429-L456 HydrophobicContact CD1-CD2 3.7Å; Y429-L456 HydrophobicContact CD2-CD2 3.93Å; Y429-L456 HydrophobicContact CE1-CD2 4.43Å; Y429-L456 HydrophobicContact CG-CD2 3.42Å; Y429-L456 VanDerWaalsContact CG-CD2 3.42Å; Y429-F461 HydrophobicContact CD1-CE2 4.38Å; Y429-F461 WeakPolarHBondContact O-CE2 3.31Å
430E97.6Very high96.8Very high101 Ų10161.3 Ų61.347%0.47229%0.285SS..Hα-helixtrans-68.3-43.4175.5-162.9-168.6152.600110.4D428 Y433 K434 I459D428-E430 VanDerWaalsContact C-N 3.29Å; D428-E430 PolarHBondContact O-N 3.17Å; D428-E430 PolarHBondContact OD1-N 3.44Å; E430-Y433 PolarHBondContact O-N 3.14Å; E430-K434 WeakPolarHBondContact O-CG 3.36Å; E430-K434 PolarHBondContact O-N 3.1Å; E430-K434 VanDerWaalsContact OE1-CE 3.24Å; E430-K434 WeakPolarHBondContact OE1-CE 3.37Å; E430-K434 IonicContact OE1-NZ 3.9Å; E430-K434 PolarHBondContact OE1-NZ 3.12Å; E430-I459 HydrophobicContact CB-CD1 4.45Å
431K97.7Very high97Very high88 Ų8859.5 Ų59.538%0.38328%0.277SS..Hα-helixtrans-62.8-41.8172.8-179.4-176.3178.9-170.60112Y406 D428Y406-K431 HydrophobicContact CD1-CD 4.17Å; Y406-K431 HydrophobicContact CE1-CD 4.19Å; D428-K431 HydrophobicContact CB-CB 4.05Å; D428-K431 PolarHBondContact O-N 2.85Å; D428-K431 WeakPolarHBondContact OD1-CB 3.28Å; D428-K431 PolarHBondContact OD1-N 2.79Å; D428-K431 WeakPolarHBondContact OD2-CB 3.48Å
432I98.1Very high97.1Very high4 Ų458.7 Ų58.72%0.02127%0.274CS..Hα-helixtrans-60.6-50.7174.8-69.7169.4000109.9Y406 C409 L415 L427 D428 Y429 K434 K435 M436 F461Y406-I432 HydrophobicContact CD1-CD1 4.2Å; Y406-I432 HydrophobicContact CD1-CG1 3.68Å; Y406-I432 HydrophobicContact CE1-CD1 4.13Å; Y406-I432 HydrophobicContact CE1-CG1 3.94Å; C409-I432 HydrophobicContact CB-CG1 4.43Å; C409-I432 HydrophobicContact CB-CG2 3.69Å; L415-I432 HydrophobicContact CD1-CG2 4.27Å; L427-I432 HydrophobicContact CB-CD1 4.1Å; L427-I432 HydrophobicContact CD1-CD1 4.25Å; D428-I432 WeakPolarHBondContact O-CG1 3.46Å; D428-I432 PolarHBondContact O-N 2.81Å; D428-I432 VanDerWaalsContact O-N 3.08Å; Y429-I432 HydrophobicContact CD1-CD1 4.14Å; Y429-I432 HydrophobicContact CE1-CD1 4.34Å; Y429-I432 PolarHBondContact O-N 2.94Å; I432-K434 VanDerWaalsContact C-N 3.35Å; I432-K434 PolarHBondContact O-N 3.03Å; I432-K435 PolarHBondContact O-N 3.44Å; I432-K435 VanDerWaalsContact O-N 3.1Å; I432-M436 HydrophobicContact CG2-CG 4.14Å; I432-M436 HydrophobicContact CG2-SD 3.61Å; I432-M436 WeakPolarHBondContact O-CG 3.45Å; I432-M436 PolarHBondContact O-N 2.94Å; I432-M436 VanDerWaalsContact O-N 3.1Å; I432-F461 HydrophobicContact CG2-CZ 4.07Å
433Y98.1Very high97.3Very high56 Ų5655.4 Ų55.422%0.2226%0.256CS..Hα-helixtrans-56.3-48-178.5-176.6-107.7000112Y429 E430 K435 M436 K438 A440 I459 G460 F461Y429-Y433 VanDerWaalsContact O-CB 3.31Å; Y429-Y433 WeakPolarHBondContact O-CB 3.29Å; Y429-Y433 PolarHBondContact O-N 2.89Å; E430-Y433 PolarHBondContact O-N 3.14Å; Y433-K435 PolarHBondContact O-N 3.23Å; Y433-K435 VanDerWaalsContact O-N 3.13Å; Y433-M436 PolarHBondContact O-N 3.02Å; Y433-M436 VanDerWaalsContact O-N 3.14Å; Y433-K438 HydrophobicContact CE2-CD 3.91Å; Y433-K438 PolarHBondContact O-NZ 3.43Å; Y433-A440 HydrophobicContact CD2-CB 3.97Å; Y433-A440 HydrophobicContact CE2-CB 3.92Å; Y433-I459 VanDerWaalsContact CB-CG2 3.5Å; Y433-I459 HydrophobicContact CD1-CG2 3.68Å; Y433-I459 HydrophobicContact CD2-CG2 4.06Å; Y433-I459 HydrophobicContact CE1-CG2 4.38Å; Y433-I459 WeakPolarHBondContact CE1-O 3.22Å; Y433-I459 HydrophobicContact CG-CG2 3.48Å; Y433-I459 VanDerWaalsContact CG-CG2 3.48Å; Y433-G460 VanDerWaalsContact CE2-C 3.41Å; Y433-G460 WeakPolarHBondContact CE2-O 3.48Å; Y433-G460 PolarHBondContact OH-O 3.27Å; Y433-F461 VanDerWaalsContact CB-CZ 3.5Å; Y433-F461 AromaticContact CD2-CD1 3.87Å; Y433-F461 HydrophobicContact CD2-CD1 3.87Å; Y433-F461 AromaticContact CD2-CD2 3.93Å; Y433-F461 HydrophobicContact CD2-CD2 3.93Å; Y433-F461 AromaticContact CD2-CE1 3.78Å; Y433-F461 HydrophobicContact CD2-CE1 3.78Å; Y433-F461 AromaticContact CD2-CE2 3.85Å; Y433-F461 HydrophobicContact CD2-CE2 3.85Å; Y433-F461 AromaticContact CD2-CG 3.96Å; Y433-F461 HydrophobicContact CD2-CG 3.96Å; Y433-F461 AromaticContact CD2-CZ 3.78Å; Y433-F461 HydrophobicContact CD2-CZ 3.78Å; Y433-F461 HydrophobicContact CE2-CD1 4.5Å; Y433-F461 HydrophobicContact CG-CD2 4.49Å; Y433-F461 HydrophobicContact CG-CE2 4.1Å; Y433-F461 HydrophobicContact CG-CZ 4.13Å
434K97.8Very high97.4Very high140 Ų14052.3 Ų52.361%0.60924%0.241SC*.Hα-helixtrans-54.7-33.4-179.9-77.1170.8-175.9164.10112.7E430 I432E430-K434 WeakPolarHBondContact O-CG 3.36Å; E430-K434 PolarHBondContact O-N 3.1Å; E430-K434 VanDerWaalsContact OE1-CE 3.24Å; E430-K434 WeakPolarHBondContact OE1-CE 3.37Å; E430-K434 IonicContact OE1-NZ 3.9Å; E430-K434 PolarHBondContact OE1-NZ 3.12Å; I432-K434 VanDerWaalsContact C-N 3.35Å; I432-K434 PolarHBondContact O-N 3.03Å
435K97.8Very high97.4Very high102 Ų10252.3 Ų52.344%0.44324%0.241SC..Hα-helixtrans-95-11.9-177.8-67.2-172174.7-170.30114.6Q410 S411 I432 Y433Q410-K435 HydrophobicContact CG-CD 4.46Å; S411-K435 WeakPolarHBondContact CA-O 3.42Å; S411-K435 PolarHBondContact N-O 3.26Å; I432-K435 PolarHBondContact O-N 3.44Å; I432-K435 VanDerWaalsContact O-N 3.1Å; Y433-K435 PolarHBondContact O-N 3.23Å; Y433-K435 VanDerWaalsContact O-N 3.13Å
436M98.4Very high97.5Very high7 Ų748.9 Ų48.93%0.03423%0.228CC..SBendtrans-79.2156.8177.2-77.9-177.171.900112.7C409 A412 L415 I432 Y433 K438 A440 F461C409-M436 VanDerWaalsContact O-CG 3.27Å; C409-M436 WeakPolarHBondContact O-CG 3.36Å; A412-M436 HydrophobicContact CB-CE 4.24Å; A412-M436 HydrophobicContact CB-CG 4.47Å; A412-M436 WeakPolarHBondContact O-CB 3.5Å; L415-M436 HydrophobicContact CB-CE 4.34Å; I432-M436 HydrophobicContact CG2-CG 4.14Å; I432-M436 HydrophobicContact CG2-SD 3.61Å; I432-M436 WeakPolarHBondContact O-CG 3.45Å; I432-M436 PolarHBondContact O-N 2.94Å; I432-M436 VanDerWaalsContact O-N 3.1Å; Y433-M436 PolarHBondContact O-N 3.02Å; Y433-M436 VanDerWaalsContact O-N 3.14Å; M436-K438 PolarHBondContact O-NZ 3.35Å; M436-A440 HydrophobicContact CB-CB 4.04Å; M436-A440 HydrophobicContact CE-CB 4.18Å; M436-A440 HydrophobicContact SD-CB 4.47Å; M436-F461 HydrophobicContact SD-CE1 3.69Å; M436-F461 HydrophobicContact SD-CZ 4.3Å
437L97.6Very high97.4Very high75 Ų7541.2 Ų41.239%0.39319%0.192SC..  trans-72.9156.7169.7-66.7173.5000110.3S411 A412 H413 P439 A440S411-L437 WeakPolarHBondContact O-CD1 3.42Å; A412-L437 PolarHBondContact O-N 2.91Å; H413-L437 WeakPolarHBondContact CE1-CD1 3.44Å; H413-L437 WeakPolarHBondContact NE2-CD1 3.5Å; L437-P439 CarbonylContact O-C 3.55Å; L437-A440 WeakPolarHBondContact O-CA 3.35Å; L437-A440 WeakPolarHBondContact O-CB 3.31Å; L437-A440 PolarHBondContact O-N 2.95Å
438K96.8Very high97.4Very high102 Ų10240.3 Ų40.344%0.44319%0.187SC..SBendtrans-112.9141.2-176.1-55.8-59.3-177.2-76.40110.7Y433 M436 A440Y433-K438 HydrophobicContact CE2-CD 3.91Å; Y433-K438 PolarHBondContact O-NZ 3.43Å; M436-K438 PolarHBondContact O-NZ 3.35Å; K438-A440 HydrophobicContact CD-CB 4.12Å
439P95.9Very high97.3Very high52 Ų5236.8 Ų36.834%0.33817%0.168SC..SBendcis-64.6139.5-6.726.8-33.9000112.6F323 L437 F441F323-P439 HydrophobicContact CE2-CG 4.34Å; F323-P439 HydrophobicContact CZ-CG 4.09Å; L437-P439 CarbonylContact O-C 3.55Å; P439-F441 HydrophobicContact CB-CE2 4.08Å; P439-F441 HydrophobicContact CB-CZ 4.48Å; P439-F441 HydrophobicContact CG-CE2 3.8Å; P439-F441 HydrophobicContact CG-CZ 4.3Å
440A96.7Very high97Very high1 Ų138.6 Ų38.61%0.00818%0.178CC..  trans-95.8122.7-178.500000110.2Y433 M436 L437 K438 F461 Q462Y433-A440 HydrophobicContact CD2-CB 3.97Å; Y433-A440 HydrophobicContact CE2-CB 3.92Å; M436-A440 HydrophobicContact CB-CB 4.04Å; M436-A440 HydrophobicContact CE-CB 4.18Å; M436-A440 HydrophobicContact SD-CB 4.47Å; L437-A440 WeakPolarHBondContact O-CA 3.35Å; L437-A440 WeakPolarHBondContact O-CB 3.31Å; L437-A440 PolarHBondContact O-N 2.95Å; K438-A440 HydrophobicContact CD-CB 4.12Å; A440-F461 HydrophobicContact CB-CD1 3.77Å; A440-F461 HydrophobicContact CB-CE1 3.88Å; A440-Q462 PolarHBondContact O-N 3.06Å
441F97.9Very high96.8Very high5 Ų539.3 Ų39.32%0.02218%0.182CC..EExtended strand (participates in β ladder)trans-104.2145.2-178.9-69.2-90.5000112.7C321 L322 H413 A414 L415 P439 F443 Q462C321-F441 HydrophobicContact CB-CD1 4.29Å; C321-F441 HydrophobicContact CB-CE1 3.95Å; C321-F441 HydrophobicContact CB-CZ 4.41Å; C321-F441 VanDerWaalsContact O-CZ 3.23Å; C321-F441 WeakPolarHBondContact O-CZ 3.31Å; L322-F441 HydrophobicContact CD2-CD2 3.67Å; L322-F441 HydrophobicContact CD2-CE2 3.99Å; L322-F441 HydrophobicContact CD2-CG 4.43Å; H413-F441 PolarHBondContact O-N 3.37Å; H413-F441 VanDerWaalsContact O-N 3.13Å; A414-F441 CarbonylContact C-O 3.54Å; A414-F441 WeakPolarHBondContact CA-O 3.49Å; A414-F441 HydrophobicContact CB-CB 4.09Å; L415-F441 PolarHBondContact N-O 2.91Å; P439-F441 HydrophobicContact CB-CE2 4.08Å; P439-F441 HydrophobicContact CB-CZ 4.48Å; P439-F441 HydrophobicContact CG-CE2 3.8Å; P439-F441 HydrophobicContact CG-CZ 4.3Å; F441-F443 HydrophobicContact CB-CD2 4.23Å; F441-F443 HydrophobicContact CB-CE2 3.52Å; F441-F443 HydrophobicContact CB-CZ 3.98Å; F441-F443 HydrophobicContact CD1-CE2 4.42Å; F441-F443 HydrophobicContact CD1-CZ 4.01Å; F441-F443 HydrophobicContact CG-CE2 4.16Å; F441-F443 HydrophobicContact CG-CZ 4.18Å; F441-Q462 WeakPolarHBondContact CA-O 3.27Å; F441-Q462 HydrophobicContact CD1-CB 3.5Å; F441-Q462 VanDerWaalsContact CD1-CB 3.5Å; F441-Q462 HydrophobicContact CD1-CG 4.48Å; F441-Q462 HydrophobicContact CE1-CB 3.61Å; F441-Q462 HydrophobicContact CE1-CG 4.2Å; F441-Q462 HydrophobicContact CG-CB 4.24Å; F441-Q462 HydrophobicContact CZ-CB 4.43Å; F441-Q462 VanDerWaalsContact CZ-OE1 3.26Å
442I98.2Very high96.6Very high0 Ų036.2 Ų36.20%017%0.169CC..EExtended strand (participates in β ladder)trans-122.1125.1165.9-64.9174.9000107.6L415 Y429 L449 L456 F461 Q462 I463 E464L415-I442 HydrophobicContact CB-CG1 4.39Å; L415-I442 HydrophobicContact CD2-CG2 4.3Å; L415-I442 CarbonylContact O-C 3.53Å; L415-I442 WeakPolarHBondContact O-CA 3.45Å; Y429-I442 HydrophobicContact CD1-CD1 4.06Å; Y429-I442 HydrophobicContact CE1-CD1 4.12Å; I442-L449 HydrophobicContact CG2-CD1 3.83Å; I442-L456 HydrophobicContact CD1-CD1 4.17Å; I442-L456 HydrophobicContact CD1-CD2 4.03Å; I442-F461 HydrophobicContact CD1-CB 4.04Å; I442-F461 HydrophobicContact CD1-CD1 3.57Å; I442-F461 HydrophobicContact CD1-CD2 3.75Å; I442-F461 HydrophobicContact CD1-CE1 3.8Å; I442-F461 HydrophobicContact CD1-CE2 3.95Å; I442-F461 HydrophobicContact CD1-CG 3.52Å; I442-F461 HydrophobicContact CD1-CZ 3.97Å; I442-F461 HydrophobicContact CG1-CB 4.39Å; I442-F461 HydrophobicContact CG1-CD1 3.58Å; I442-F461 HydrophobicContact CG1-CE1 3.88Å; I442-F461 HydrophobicContact CG1-CG 4Å; I442-Q462 PolarHBondContact N-O 3.3Å; I442-I463 HydrophobicContact CB-CB 4.42Å; I442-I463 HydrophobicContact CB-CG1 4.31Å; I442-I463 HydrophobicContact CG2-CD1 4.24Å; I442-I463 HydrophobicContact CG2-CG1 4.25Å; I442-I463 WeakPolarHBondContact O-CA 3.27Å; I442-E464 PolarHBondContact O-N 3.49Å
443F98.3Very high96.3Very high0 Ų036.8 Ų36.80%017%0.172CC..EExtended strand (participates in β ladder)trans-112103.8171.8-60.8-85.9000109.3F314 I318 C321 A414 L415 V416 I417 F441 G445 E464F314-F443 HydrophobicContact CE2-CB 4.28Å; F314-F443 HydrophobicContact CZ-CB 3.8Å; I318-F443 HydrophobicContact CB-CD2 4.45Å; I318-F443 HydrophobicContact CB-CE2 4.32Å; I318-F443 HydrophobicContact CB-CZ 4.37Å; I318-F443 HydrophobicContact CD1-CB 4.48Å; I318-F443 HydrophobicContact CD1-CG 4.48Å; I318-F443 HydrophobicContact CG1-CB 4.11Å; I318-F443 HydrophobicContact CG1-CD1 3.81Å; I318-F443 HydrophobicContact CG1-CD2 3.83Å; I318-F443 HydrophobicContact CG1-CE1 4.16Å; I318-F443 HydrophobicContact CG1-CE2 4.16Å; I318-F443 HydrophobicContact CG1-CG 3.64Å; I318-F443 HydrophobicContact CG1-CZ 4.33Å; I318-F443 HydrophobicContact CG2-CD2 4.22Å; I318-F443 HydrophobicContact CG2-CE2 3.97Å; I318-F443 HydrophobicContact CG2-CZ 4.4Å; C321-F443 HydrophobicContact CB-CE1 3.98Å; C321-F443 HydrophobicContact CB-CZ 3.63Å; A414-F443 HydrophobicContact CB-CD2 4.11Å; A414-F443 HydrophobicContact CB-CE2 3.86Å; L415-F443 PolarHBondContact O-N 2.9Å; V416-F443 WeakPolarHBondContact CA-O 3.49Å; V416-F443 HydrophobicContact CG1-CB 4.4Å; V416-F443 HydrophobicContact CG2-CB 4.35Å; V416-F443 HydrophobicContact CG2-CD2 4.19Å; I417-F443 PolarHBondContact N-O 3.45Å; F441-F443 HydrophobicContact CB-CD2 4.23Å; F441-F443 HydrophobicContact CB-CE2 3.52Å; F441-F443 HydrophobicContact CB-CZ 3.98Å; F441-F443 HydrophobicContact CD1-CE2 4.42Å; F441-F443 HydrophobicContact CD1-CZ 4.01Å; F441-F443 HydrophobicContact CG-CE2 4.16Å; F441-F443 HydrophobicContact CG-CZ 4.18Å; F443-G445 PolarHBondContact O-N 2.89Å; F443-E464 CarbonylContact C-O 3.56Å; F443-E464 WeakPolarHBondContact CA-O 3.47Å; F443-E464 HydrophobicContact CD1-CB 3.76Å; F443-E464 HydrophobicContact CE1-CB 3.99Å; F443-E464 HydrophobicContact CE1-CG 4.24Å
444D97.8Very high96.1Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-89.1101.5177.5-176.3-1.4000110.2R446 R447 V448 L449 E464 T465 I466D444-R446 VanDerWaalsContact C-N 3.25Å; D444-R446 PolarHBondContact O-N 3.26Å; D444-R446 WeakPolarHBondContact OD1-CA 3.42Å; D444-R446 PolarHBondContact OD1-N 2.83Å; D444-R447 PolarHBondContact OD1-N 2.85Å; D444-R447 VanDerWaalsContact OD2-CA 3.3Å; D444-R447 WeakPolarHBondContact OD2-CA 3.32Å; D444-R447 PolarHBondContact OD2-N 2.81Å; D444-V448 PolarHBondContact OD1-N 3.09Å; D444-V448 PolarHBondContact OD2-N 3.36Å; D444-L449 PolarHBondContact OD2-N 3.29Å; D444-E464 PolarHBondContact N-O 3.01Å; D444-T465 WeakPolarHBondContact O-CA 3.37Å; D444-T465 PolarHBondContact O-OG1 2.8Å; D444-I466 PolarHBondContact O-N 3.29Å
445G97.4Very high95.9Very high0 Ų036.5 Ų36.50%019%0.188CC..SBendtrans-81.50.9176.400000114.1S269 V270 I417 F443S269-G445 CarbonylContact C-O 3.51Å; S269-G445 WeakPolarHBondContact CA-O 3.49Å; V270-G445 PolarHBondContact N-O 2.74Å; I417-G445 WeakPolarHBondContact O-CA 3.4Å; I417-G445 PolarHBondContact O-N 3.22Å; F443-G445 PolarHBondContact O-N 2.89Å
446R96.9Very high95.8Very high25 Ų2531.8 Ų31.89%0.09417%0.167CC..SBendtrans-132.8-0.5-169.9-69.1-65.6-177148.20.5114.9F338 C418 E420 D444 V448F338-R446 PolarHBondContact O-NH2 3.4Å; C418-R446 VanDerWaalsContact O-CZ 3.25Å; C418-R446 PolarHBondContact O-NE 2.91Å; C418-R446 PolarHBondContact O-NH2 2.87Å; E420-R446 HydrophobicContact CB-CB 4.02Å; E420-R446 HydrophobicContact CB-CG 4.23Å; E420-R446 IonicContact OE1-NH1 2.82Å; E420-R446 VanDerWaalsContact OE2-CD 3.31Å; E420-R446 WeakPolarHBondContact OE2-CD 3.39Å; E420-R446 IonicContact OE2-CZ 2.84Å; E420-R446 IonicContact OE2-NE 3.36Å; E420-R446 PolarHBondContact OE2-NE 3.21Å; E420-R446 IonicContact OE2-NH1 2.69Å; E420-R446 PolarHBondContact OE2-NH1 2.94Å; E420-R446 IonicContact OE2-NH2 2.73Å; D444-R446 VanDerWaalsContact C-N 3.25Å; D444-R446 PolarHBondContact O-N 3.26Å; D444-R446 WeakPolarHBondContact OD1-CA 3.42Å; D444-R446 PolarHBondContact OD1-N 2.83Å; R446-V448 PolarHBondContact O-N 2.68Å
447R94.6Very high95.6Very high6 Ų636.1 Ų36.12%0.02319%0.187CC..SBendtrans56.636-177.1-56-61.8-63.6-130-6.1111.8D247 K267 D444 D450 T465 I466D247-R447 IonicContact OD1-CZ 3.23Å; D247-R447 IonicContact OD1-NH1 3.49Å; D247-R447 IonicContact OD1-NH2 2.94Å; D247-R447 PolarHBondContact OD1-NH2 3.27Å; D247-R447 IonicContact OD2-CZ 2.89Å; D247-R447 IonicContact OD2-NH1 3.32Å; D247-R447 IonicContact OD2-NH2 3.9Å; D247-R447 PolarHBondContact OD2-NH2 3.16Å; D247-R447 VanDerWaalsContact OD2-NH2 3.09Å; K267-R447 VanDerWaalsContact NZ-CB 3.3Å; D444-R447 PolarHBondContact OD1-N 2.85Å; D444-R447 VanDerWaalsContact OD2-CA 3.3Å; D444-R447 WeakPolarHBondContact OD2-CA 3.32Å; D444-R447 PolarHBondContact OD2-N 2.81Å; R447-D450 VanDerWaalsContact CA-OD1 3.32Å; R447-D450 WeakPolarHBondContact CA-OD1 3.45Å; R447-D450 WeakPolarHBondContact CB-OD1 3.48Å; R447-D450 IonicContact CZ-OD1 2.74Å; R447-D450 IonicContact CZ-OD2 2.64Å; R447-D450 VanDerWaalsContact CZ-OD2 3.29Å; R447-D450 VanDerWaalsContact NE-CG 3.26Å; R447-D450 IonicContact NE-OD1 2.68Å; R447-D450 PolarHBondContact NE-OD1 3.44Å; R447-D450 IonicContact NE-OD2 2.66Å; R447-D450 PolarHBondContact NE-OD2 2.97Å; R447-D450 IonicContact NH2-OD1 2.75Å; R447-D450 IonicContact NH2-OD2 3.93Å; R447-D450 PolarHBondContact NH2-OD2 2.85Å; R447-T465 WeakPolarHBondContact CD-OG1 3.09Å; R447-I466 VanDerWaalsContact CD-O 3.29Å; R447-I466 WeakPolarHBondContact CD-O 3.1Å; R447-I466 PolarHBondContact NH1-O 3.34Å
448V95.4Very high95.4Very high0 Ų037.8 Ų37.80%021%0.205CC..  trans-83.8-26.8-178.572.50000111I417 R425 D444 R446 H451I417-V448 HydrophobicContact CD1-CG1 3.69Å; I417-V448 HydrophobicContact CG2-CG1 3.95Å; R425-V448 HydrophobicContact CG-CG2 3.49Å; R425-V448 VanDerWaalsContact CG-CG2 3.49Å; R425-V448 PolarHBondContact NH1-O 3.27Å; D444-V448 PolarHBondContact OD1-N 3.09Å; D444-V448 PolarHBondContact OD2-N 3.36Å; R446-V448 PolarHBondContact O-N 2.68Å; V448-H451 PolarHBondContact O-CE1 3.42Å; V448-H451 PolarHBondContact O-ND1 2.72Å
449L96.3Very high95.4Very high0 Ų034.7 Ų34.70%019%0.193CC..SBendtrans-100.77.1-175.5-54.4-174.6000114.4I417 Y429 I442 D444 H451 L452 H453 L456 I463I417-L449 HydrophobicContact CD1-CD1 3.62Å; I417-L449 HydrophobicContact CD1-CD2 4.21Å; I417-L449 HydrophobicContact CD1-CG 3.84Å; Y429-L449 HydrophobicContact CE1-CD1 4.21Å; Y429-L449 HydrophobicContact CE2-CD2 4.07Å; Y429-L449 WeakPolarHBondContact OH-CD1 3.45Å; Y429-L449 WeakPolarHBondContact OH-CD2 3.33Å; I442-L449 HydrophobicContact CG2-CD1 3.83Å; D444-L449 PolarHBondContact OD2-N 3.29Å; L449-H451 PolarHBondContact O-N 2.81Å; L449-L452 HydrophobicContact CD2-CD1 4.37Å; L449-L452 WeakPolarHBondContact O-CA 3.23Å; L449-L452 PolarHBondContact O-N 3.03Å; L449-H453 PolarHBondContact O-CD2 3.43Å; L449-H453 PolarHBondContact O-N 3.43Å; L449-L456 HydrophobicContact CB-CD1 4.26Å; L449-L456 HydrophobicContact CD1-CD1 3.98Å; L449-I463 HydrophobicContact CB-CD1 4.27Å; L449-I463 HydrophobicContact CD1-CD1 4.41Å
450D92.2Very high95.3Very high46 Ų4633.8 Ų33.825%0.24619%0.193CC..G310 helixtrans-45.9-43.8-175.1-77.419.8000113.9R447 L452 H453R447-D450 VanDerWaalsContact CA-OD1 3.32Å; R447-D450 WeakPolarHBondContact CA-OD1 3.45Å; R447-D450 WeakPolarHBondContact CB-OD1 3.48Å; R447-D450 IonicContact CZ-OD1 2.74Å; R447-D450 IonicContact CZ-OD2 2.64Å; R447-D450 VanDerWaalsContact CZ-OD2 3.29Å; R447-D450 VanDerWaalsContact NE-CG 3.26Å; R447-D450 IonicContact NE-OD1 2.68Å; R447-D450 PolarHBondContact NE-OD1 3.44Å; R447-D450 IonicContact NE-OD2 2.66Å; R447-D450 PolarHBondContact NE-OD2 2.97Å; R447-D450 IonicContact NH2-OD1 2.75Å; R447-D450 IonicContact NH2-OD2 3.93Å; R447-D450 PolarHBondContact NH2-OD2 2.85Å; D450-L452 VanDerWaalsContact C-N 3.29Å; D450-L452 PolarHBondContact O-N 2.99Å; D450-H453 PolarHBondContact O-N 2.84Å
451H91.9Very high95.3Very high117 Ų11734.1 Ų34.154%0.54219%0.194SC..G310 helixtrans-67.1-21.6178.764.7-64.6000114.9V448 L449V448-H451 PolarHBondContact O-CE1 3.42Å; V448-H451 PolarHBondContact O-ND1 2.72Å; L449-H451 PolarHBondContact O-N 2.81Å
452L94.4Very high95.2Very high22 Ų2237.8 Ų37.812%0.11521%0.212CC..G310 helixtrans-100.70.1-178.1-60178.4000113.3Y429 L449 D450 A454 E455 L456Y429-L452 HydrophobicContact CD2-CD1 4.18Å; Y429-L452 HydrophobicContact CE2-CD1 3.98Å; L449-L452 HydrophobicContact CD2-CD1 4.37Å; L449-L452 WeakPolarHBondContact O-CA 3.23Å; L449-L452 PolarHBondContact O-N 3.03Å; D450-L452 VanDerWaalsContact C-N 3.29Å; D450-L452 PolarHBondContact O-N 2.99Å; L452-A454 VanDerWaalsContact C-N 3.33Å; L452-A454 PolarHBondContact O-N 3.22Å; L452-E455 PolarHBondContact O-N 3.4Å; L452-E455 VanDerWaalsContact O-N 3.14Å; L452-L456 HydrophobicContact CB-CD1 3.88Å; L452-L456 HydrophobicContact CB-CG 4.05Å; L452-L456 WeakPolarHBondContact O-CB 3.29Å; L452-L456 VanDerWaalsContact O-CG 3.27Å; L452-L456 WeakPolarHBondContact O-CG 3.42Å; L452-L456 PolarHBondContact O-N 3.33Å
453H92.8Very high95.1Very high17 Ų1738.7 Ų38.78%0.07922%0.216CC..Hα-helixtrans-51.9-47.5-174.8-93.2-128.5000113.7L449 D450 Q457L449-H453 PolarHBondContact O-CD2 3.43Å; L449-H453 PolarHBondContact O-N 3.43Å; D450-H453 PolarHBondContact O-N 2.84Å; H453-Q457 WeakPolarHBondContact O-CB 3.46Å; H453-Q457 VanDerWaalsContact O-CG 3.29Å; H453-Q457 WeakPolarHBondContact O-CG 3.4Å; H453-Q457 PolarHBondContact O-N 3.45Å; H453-Q457 VanDerWaalsContact O-N 3.08Å
454A92.1Very high94.9Very high75 Ų7539.1 Ų39.162%0.6222%0.218SC*.Hα-helixtrans-66.6-41.8-178.800000111.8L452 Q457 S458L452-A454 VanDerWaalsContact C-N 3.33Å; L452-A454 PolarHBondContact O-N 3.22Å; A454-Q457 PolarHBondContact O-N 3.3Å; A454-S458 WeakPolarHBondContact O-CB 3.33Å; A454-S458 PolarHBondContact O-N 2.63Å
455E95.3Very high94.8Very high115 Ų11539.2 Ų39.254%0.53722%0.219SC..Hα-helixtrans-64.5-46.7177.6-174.9-177.8160.200111.4L452 Q457 S458 I459L452-E455 PolarHBondContact O-N 3.4Å; L452-E455 VanDerWaalsContact O-N 3.14Å; E455-Q457 VanDerWaalsContact C-N 3.32Å; E455-Q457 PolarHBondContact O-N 2.97Å; E455-S458 CarbonylContact O-C 3.56Å; E455-S458 WeakPolarHBondContact O-CA 3.34Å; E455-S458 WeakPolarHBondContact O-CB 3.04Å; E455-S458 PolarHBondContact O-N 3.3Å; E455-I459 HydrophobicContact CG-CD1 4.25Å; E455-I459 WeakPolarHBondContact O-CG1 3.46Å; E455-I459 PolarHBondContact O-N 3.39Å
456L95.6Very high94.8Very high2 Ų239.2 Ų39.21%0.0122%0.219CC..Hα-helixtrans-61.7-39.2178.7-67.8171.2000112Y429 I442 L449 L452 S458 I459 G460 F461 I463Y429-L456 VanDerWaalsContact CB-CD2 3.47Å; Y429-L456 HydrophobicContact CD1-CD2 3.7Å; Y429-L456 HydrophobicContact CD2-CD2 3.93Å; Y429-L456 HydrophobicContact CE1-CD2 4.43Å; Y429-L456 HydrophobicContact CG-CD2 3.42Å; Y429-L456 VanDerWaalsContact CG-CD2 3.42Å; I442-L456 HydrophobicContact CD1-CD1 4.17Å; I442-L456 HydrophobicContact CD1-CD2 4.03Å; L449-L456 HydrophobicContact CB-CD1 4.26Å; L449-L456 HydrophobicContact CD1-CD1 3.98Å; L452-L456 HydrophobicContact CB-CD1 3.88Å; L452-L456 HydrophobicContact CB-CG 4.05Å; L452-L456 WeakPolarHBondContact O-CB 3.29Å; L452-L456 VanDerWaalsContact O-CG 3.27Å; L452-L456 WeakPolarHBondContact O-CG 3.42Å; L452-L456 PolarHBondContact O-N 3.33Å; L456-S458 VanDerWaalsContact C-N 3.35Å; L456-I459 HydrophobicContact CD2-CD1 4.46Å; L456-I459 PolarHBondContact O-N 3.15Å; L456-G460 PolarHBondContact O-N 3.32Å; L456-G460 VanDerWaalsContact O-N 3.12Å; L456-F461 HydrophobicContact CB-CB 4.41Å; L456-F461 HydrophobicContact CB-CD2 4.32Å; L456-F461 HydrophobicContact CD2-CD2 3.88Å; L456-F461 HydrophobicContact CD2-CE2 4.11Å; L456-F461 WeakPolarHBondContact O-CB 3.41Å; L456-F461 PolarHBondContact O-N 3.43Å; L456-I463 HydrophobicContact CD1-CD1 3.5Å
457Q93.4Very high94.7Very high98 Ų9838 Ų3846%0.45821%0.214SC..Hα-helixtrans-65-39.2172.3-73.6176.1-12.900111.8H453 A454 E455 I459 G460 I463H453-Q457 WeakPolarHBondContact O-CB 3.46Å; H453-Q457 VanDerWaalsContact O-CG 3.29Å; H453-Q457 WeakPolarHBondContact O-CG 3.4Å; H453-Q457 PolarHBondContact O-N 3.45Å; H453-Q457 VanDerWaalsContact O-N 3.08Å; A454-Q457 PolarHBondContact O-N 3.3Å; E455-Q457 VanDerWaalsContact C-N 3.32Å; E455-Q457 PolarHBondContact O-N 2.97Å; Q457-I459 VanDerWaalsContact C-N 3.34Å; Q457-G460 WeakPolarHBondContact O-CA 3.47Å; Q457-G460 PolarHBondContact O-N 2.86Å; Q457-G460 VanDerWaalsContact O-N 3.08Å; Q457-I463 HydrophobicContact CG-CG2 3.85Å
458S94.3Very high94.7Very high111 Ų11141.4 Ų41.478%0.77623%0.229SC*.Hα-helixtrans-67.2-33.5177.2-141.20000112.7A454 E455 L456 G460A454-S458 WeakPolarHBondContact O-CB 3.33Å; A454-S458 PolarHBondContact O-N 2.63Å; E455-S458 CarbonylContact O-C 3.56Å; E455-S458 WeakPolarHBondContact O-CA 3.34Å; E455-S458 WeakPolarHBondContact O-CB 3.04Å; E455-S458 PolarHBondContact O-N 3.3Å; L456-S458 VanDerWaalsContact C-N 3.35Å; S458-G460 VanDerWaalsContact C-N 3.28Å
459I95.6Very high94.4Very high37 Ų3746.8 Ų46.819%0.1925%0.253CS..Hα-helixtrans-66-33.6170.4-68.2166.7000110.8E430 Y433 E455 L456 Q457 F461E430-I459 HydrophobicContact CB-CD1 4.45Å; Y433-I459 VanDerWaalsContact CB-CG2 3.5Å; Y433-I459 HydrophobicContact CD1-CG2 3.68Å; Y433-I459 HydrophobicContact CD2-CG2 4.06Å; Y433-I459 HydrophobicContact CE1-CG2 4.38Å; Y433-I459 WeakPolarHBondContact CE1-O 3.22Å; Y433-I459 HydrophobicContact CG-CG2 3.48Å; Y433-I459 VanDerWaalsContact CG-CG2 3.48Å; E455-I459 HydrophobicContact CG-CD1 4.25Å; E455-I459 WeakPolarHBondContact O-CG1 3.46Å; E455-I459 PolarHBondContact O-N 3.39Å; L456-I459 HydrophobicContact CD2-CD1 4.46Å; L456-I459 PolarHBondContact O-N 3.15Å; Q457-I459 VanDerWaalsContact C-N 3.34Å; I459-F461 HydrophobicContact CB-CD2 4.38Å; I459-F461 HydrophobicContact CG2-CD2 4.04Å; I459-F461 HydrophobicContact CG2-CE2 4.01Å
460G94.5Very high93.7Very high33 Ų3348.2 Ų48.234%0.3426%0.261SS..THydrogen-bonded Turntrans119.611.2175.600000114.9Y433 L456 Q457 S458Y433-G460 VanDerWaalsContact CE2-C 3.41Å; Y433-G460 WeakPolarHBondContact CE2-O 3.48Å; Y433-G460 PolarHBondContact OH-O 3.27Å; L456-G460 PolarHBondContact O-N 3.32Å; L456-G460 VanDerWaalsContact O-N 3.12Å; Q457-G460 WeakPolarHBondContact O-CA 3.47Å; Q457-G460 PolarHBondContact O-N 2.86Å; Q457-G460 VanDerWaalsContact O-N 3.08Å; S458-G460 VanDerWaalsContact C-N 3.28Å
461F96.6Very high92.4Very high7 Ų752.3 Ų52.33%0.03129%0.288CS..  trans-70.9144.9174-75.2-75.4000112.3Y429 I432 Y433 M436 A440 I442 L456 I459 I463Y429-F461 HydrophobicContact CD1-CE2 4.38Å; Y429-F461 WeakPolarHBondContact O-CE2 3.31Å; I432-F461 HydrophobicContact CG2-CZ 4.07Å; Y433-F461 VanDerWaalsContact CB-CZ 3.5Å; Y433-F461 AromaticContact CD2-CD1 3.87Å; Y433-F461 HydrophobicContact CD2-CD1 3.87Å; Y433-F461 AromaticContact CD2-CD2 3.93Å; Y433-F461 HydrophobicContact CD2-CD2 3.93Å; Y433-F461 AromaticContact CD2-CE1 3.78Å; Y433-F461 HydrophobicContact CD2-CE1 3.78Å; Y433-F461 AromaticContact CD2-CE2 3.85Å; Y433-F461 HydrophobicContact CD2-CE2 3.85Å; Y433-F461 AromaticContact CD2-CG 3.96Å; Y433-F461 HydrophobicContact CD2-CG 3.96Å; Y433-F461 AromaticContact CD2-CZ 3.78Å; Y433-F461 HydrophobicContact CD2-CZ 3.78Å; Y433-F461 HydrophobicContact CE2-CD1 4.5Å; Y433-F461 HydrophobicContact CG-CD2 4.49Å; Y433-F461 HydrophobicContact CG-CE2 4.1Å; Y433-F461 HydrophobicContact CG-CZ 4.13Å; M436-F461 HydrophobicContact SD-CE1 3.69Å; M436-F461 HydrophobicContact SD-CZ 4.3Å; A440-F461 HydrophobicContact CB-CD1 3.77Å; A440-F461 HydrophobicContact CB-CE1 3.88Å; I442-F461 HydrophobicContact CD1-CB 4.04Å; I442-F461 HydrophobicContact CD1-CD1 3.57Å; I442-F461 HydrophobicContact CD1-CD2 3.75Å; I442-F461 HydrophobicContact CD1-CE1 3.8Å; I442-F461 HydrophobicContact CD1-CE2 3.95Å; I442-F461 HydrophobicContact CD1-CG 3.52Å; I442-F461 HydrophobicContact CD1-CZ 3.97Å; I442-F461 HydrophobicContact CG1-CB 4.39Å; I442-F461 HydrophobicContact CG1-CD1 3.58Å; I442-F461 HydrophobicContact CG1-CE1 3.88Å; I442-F461 HydrophobicContact CG1-CG 4Å; L456-F461 HydrophobicContact CB-CB 4.41Å; L456-F461 HydrophobicContact CB-CD2 4.32Å; L456-F461 HydrophobicContact CD2-CD2 3.88Å; L456-F461 HydrophobicContact CD2-CE2 4.11Å; L456-F461 WeakPolarHBondContact O-CB 3.41Å; L456-F461 PolarHBondContact O-N 3.43Å; I459-F461 HydrophobicContact CB-CD2 4.38Å; I459-F461 HydrophobicContact CG2-CD2 4.04Å; I459-F461 HydrophobicContact CG2-CE2 4.01Å; F461-I463 PolarHBondContact O-N 3.3Å
462Q95.8Very high90.8Very high83 Ų8349.9 Ų49.939%0.38828%0.284SS..EExtended strand (participates in β ladder)trans-89.192.1160.4-63.2-16933.400108.3A440 F441 I442A440-Q462 PolarHBondContact O-N 3.06Å; F441-Q462 WeakPolarHBondContact CA-O 3.27Å; F441-Q462 HydrophobicContact CD1-CB 3.5Å; F441-Q462 VanDerWaalsContact CD1-CB 3.5Å; F441-Q462 HydrophobicContact CD1-CG 4.48Å; F441-Q462 HydrophobicContact CE1-CB 3.61Å; F441-Q462 HydrophobicContact CE1-CG 4.2Å; F441-Q462 HydrophobicContact CG-CB 4.24Å; F441-Q462 HydrophobicContact CZ-CB 4.43Å; F441-Q462 VanDerWaalsContact CZ-OE1 3.26Å; I442-Q462 PolarHBondContact N-O 3.3Å
463I95.1Very high88.4Confident18 Ų1854 Ų549%0.09232%0.322CS..EExtended strand (participates in β ladder)trans-87.8129.3178.7-176.3159.2000111.5I442 L449 L456 Q457 F461I442-I463 HydrophobicContact CB-CB 4.42Å; I442-I463 HydrophobicContact CB-CG1 4.31Å; I442-I463 HydrophobicContact CG2-CD1 4.24Å; I442-I463 HydrophobicContact CG2-CG1 4.25Å; I442-I463 WeakPolarHBondContact O-CA 3.27Å; L449-I463 HydrophobicContact CB-CD1 4.27Å; L449-I463 HydrophobicContact CD1-CD1 4.41Å; L456-I463 HydrophobicContact CD1-CD1 3.5Å; Q457-I463 HydrophobicContact CG-CG2 3.85Å; F461-I463 PolarHBondContact O-N 3.3Å
464E94.5Very high86.6Confident9 Ų958.5 Ų58.54%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-127.4140.8175.8-69.5-149.9-173.700110R317 C321 I442 F443 D444 V470 R474R317-E464 IonicContact CZ-OE2 2.76Å; R317-E464 VanDerWaalsContact CZ-OE2 3.23Å; R317-E464 IonicContact NE-OE2 2.7Å; R317-E464 PolarHBondContact NE-OE2 3.02Å; R317-E464 IonicContact NH2-OE2 3.73Å; R317-E464 PolarHBondContact NH2-OE2 3.08Å; C321-E464 VanDerWaalsContact SG-CD 3.59Å; C321-E464 PolarHBondContact SG-OE1 3.48Å; I442-E464 PolarHBondContact O-N 3.49Å; F443-E464 CarbonylContact C-O 3.56Å; F443-E464 WeakPolarHBondContact CA-O 3.47Å; F443-E464 HydrophobicContact CD1-CB 3.76Å; F443-E464 HydrophobicContact CE1-CB 3.99Å; F443-E464 HydrophobicContact CE1-CG 4.24Å; D444-E464 PolarHBondContact N-O 3.01Å; E464-V470 VanDerWaalsContact CD-CG2 3.5Å; E464-V470 HydrophobicContact CG-CG2 4.04Å; E464-V470 WeakPolarHBondContact OE2-CG2 3.18Å; E464-R474 IonicContact OE1-NH2 3.9Å; E464-R474 PolarHBondContact OE1-NH2 3.36Å; E464-R474 IonicContact OE2-CZ 3.86Å; E464-R474 IonicContact OE2-NH2 3.28Å; E464-R474 PolarHBondContact OE2-NH2 3.09Å
465T96.4Very high84.1Confident2 Ų262.9 Ų62.91%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-144.5155.7-177.5-162.70000111R317 D444 R447 K468R317-T465 PolarHBondContact NH1-O 3.47Å; R317-T465 PolarHBondContact NH2-O 3.33Å; D444-T465 WeakPolarHBondContact O-CA 3.37Å; D444-T465 PolarHBondContact O-OG1 2.8Å; R447-T465 WeakPolarHBondContact CD-OG1 3.09Å; T465-K468 HydrophobicContact CG2-CB 3.65Å; T465-K468 HydrophobicContact CG2-CD 4.11Å; T465-K468 HydrophobicContact CG2-CG 4.49Å
466I96.9Very high81.5Confident0 Ų062.5 Ų62.50%036%0.357CS..THydrogen-bonded Turntrans-63.8137.6178.7-72.6178000110.2A268 V270 F314 D444 R447 K468A268-I466 HydrophobicContact CB-CG2 4.22Å; V270-I466 HydrophobicContact CB-CD1 3.97Å; F314-I466 HydrophobicContact CD2-CD1 3.82Å; F314-I466 HydrophobicContact CD2-CG1 3.69Å; F314-I466 HydrophobicContact CE2-CD1 4.11Å; F314-I466 HydrophobicContact CE2-CG1 3.89Å; F314-I466 HydrophobicContact CG-CD1 4.41Å; D444-I466 PolarHBondContact O-N 3.29Å; R447-I466 VanDerWaalsContact CD-O 3.29Å; R447-I466 WeakPolarHBondContact CD-O 3.1Å; R447-I466 PolarHBondContact NH1-O 3.34Å; I466-K468 VanDerWaalsContact C-N 3.3Å; I466-K468 PolarHBondContact O-N 3.17Å
467G95.9Very high79Confident0 Ų069.6 Ų69.60%038%0.384CS..THydrogen-bonded Turntrans72.717.4174.200000115.8S238 E242 D247 V248S238-G467 WeakPolarHBondContact O-CA 3.44Å; E242-G467 PolarHBondContact OE1-N 3.07Å; D247-G467 WeakPolarHBondContact CA-O 3.32Å; V248-G467 PolarHBondContact N-O 2.94Å
468K93.6Very high76.3Confident78 Ų7870.6 Ų70.634%0.33940%0.398SS..BIsolated β-bridgetrans-135131.9173.4-168.3169.1-172.7159.40110.5D247 T465 I466D247-K468 IonicContact OD2-NZ 3.8Å; T465-K468 HydrophobicContact CG2-CB 3.65Å; T465-K468 HydrophobicContact CG2-CD 4.11Å; T465-K468 HydrophobicContact CG2-CG 4.49Å; I466-K468 VanDerWaalsContact C-N 3.3Å; I466-K468 PolarHBondContact O-N 3.17Å
469K90Very high73.5Confident113 Ų11369.1 Ų69.149%0.49139%0.385SS..  trans-63.9138.5179.4-177.4168.9-178173.10111.1
470V81.4Confident70.5Confident29 Ų2971.6 Ų71.618%0.17641%0.411CS..  trans-75.6130.8172.2-178.90000109.1E464 S472E464-V470 VanDerWaalsContact CD-CG2 3.5Å; E464-V470 HydrophobicContact CG-CG2 4.04Å; E464-V470 WeakPolarHBondContact OE2-CG2 3.18Å; V470-S472 VanDerWaalsContact C-N 3.31Å; V470-S472 WeakPolarHBondContact CG1-OG 3.46Å; V470-S472 PolarHBondContact O-N 3.39Å
471T64.6Low67.7Low133 Ų13377.6 Ų77.682%0.81643%0.434SS*.SBendtrans-76.9-13.8-176.8380000113.6
472S57.8Low64.7Low65 Ų6584.1 Ų84.146%0.45547%0.474SS..SBendtrans-96.9141.2173.353.30000112.5V470 R474V470-S472 VanDerWaalsContact C-N 3.31Å; V470-S472 WeakPolarHBondContact CG1-OG 3.46Å; V470-S472 PolarHBondContact O-N 3.39Å; S472-R474 PolarHBondContact O-N 3.05Å
473A45.2Very low61.6Low110 Ų11082.7 Ų82.791%0.90948%0.482SS*.PPolyproline II helixtrans-67.6127179.300000111.2
474R54.5Low58.6Low110 Ų11086.8 Ų86.842%0.41551%0.512SS..PPolyproline II helixtrans-94.4150.6176.4-66.2-178.2175.8176.1-4.3111.4E464 S472E464-R474 IonicContact OE1-NH2 3.9Å; E464-R474 PolarHBondContact OE1-NH2 3.36Å; E464-R474 IonicContact OE2-CZ 3.86Å; E464-R474 IonicContact OE2-NH2 3.28Å; E464-R474 PolarHBondContact OE2-NH2 3.09Å; S472-R474 PolarHBondContact O-N 3.05Å
475I39.6Very low55.6Low168 Ų16898.3 Ų98.386%0.86256%0.555SS**  trans-92.7112.7159.1-58.5171.9000106.1
476P40.7Very low52.4Low106 Ų106103.9 Ų103.969%0.68859%0.589SS**  trans-67.2138.5-176.8-15.828.4000112.3
477Y43.2Very low49.4Very low151 Ų151108.6 Ų108.659%0.59263%0.628SS**  trans-79.1126.9161.4179.4-104.7000109.5P479Y477-P479 HydrophobicContact CD1-CB 4.47Å; Y477-P479 HydrophobicContact CE1-CB 3.81Å; Y477-P479 HydrophobicContact CE1-CG 4.44Å
478T35.6Very low46.2Very low120 Ų120114.1 Ų114.174%0.73667%0.667SS**  trans-104.1108.8169.6-48.90000107.4A480T478-A480 PolarHBondContact O-N 3.02Å
479P36.3Very low43.4Very low79 Ų79116.8 Ų116.851%0.51369%0.69SS.*  trans-63.8134.1171.323.7-28.5000108.6Y477 I481Y477-P479 HydrophobicContact CD1-CB 4.47Å; Y477-P479 HydrophobicContact CE1-CB 3.81Å; Y477-P479 HydrophobicContact CE1-CG 4.44Å; P479-I481 PolarHBondContact O-N 3.25Å
480A32.2Very low40.7Very low89 Ų89120.3 Ų120.374%0.73671%0.708SS**  trans-60.2114.6171.100000108.5T478 V482T478-A480 PolarHBondContact O-N 3.02Å; A480-V482 PolarHBondContact O-N 3.33Å; A480-V482 VanDerWaalsContact O-N 3.1Å
481I34.4Very low38.6Very low159 Ų159124.4 Ų124.482%0.81574%0.735SS**  trans-57.8116.7165.4-63171.2000105.7P479 G483P479-I481 PolarHBondContact O-N 3.25Å; I481-G483 PolarHBondContact O-N 3Å
482V35.1Very low37.2Very low144 Ų144124.2 Ų124.287%0.87374%0.736SS**  trans-6594.6168.3179.20000106.2A480 S484A480-V482 PolarHBondContact O-N 3.33Å; A480-V482 VanDerWaalsContact O-N 3.1Å; V482-S484 PolarHBondContact O-N 3.11Å
483G31.3Very low36.2Very low54 Ų54127.8 Ų127.856%0.55776%0.756SS**  trans-58.9130.5-178.600000110.8I481 R485I481-G483 PolarHBondContact O-N 3Å; G483-R485 PolarHBondContact O-N 3.05Å; G483-R485 VanDerWaalsContact O-N 3.11Å
484S31.5Very low35.8Very low103 Ų103132.2 Ų132.272%0.7275%0.754SS**  trans-47.4114.8163.153.90000109.6V482 T486V482-S484 PolarHBondContact O-N 3.11Å; S484-T486 PolarHBondContact O-N 3.03Å
485R31Very low34.9Very low252 Ų252137.1 Ų137.195%0.95178%0.778SS**  trans-68.886164.5-73.6-176.9-176.7-175.91.6108.3G483 A487G483-R485 PolarHBondContact O-N 3.05Å; G483-R485 VanDerWaalsContact O-N 3.11Å; R485-A487 PolarHBondContact O-N 2.92Å
486T29.9Very low34.9Very low119 Ų119133.9 Ų133.973%0.7378%0.777SS**  trans-76109.8156.844.60000107.3S484 S488S484-T486 PolarHBondContact O-N 3.03Å; T486-S488 PolarHBondContact O-N 2.78Å
487A32.6Very low34.8Very low98 Ų98138.9 Ų138.981%0.8179%0.788SS**  trans-63.9112.9172.500000109.5R485R485-A487 PolarHBondContact O-N 2.92Å
488S29.5Very low34.7Very low117 Ų117140.1 Ų140.182%0.81883%0.829SS**  trans-105.6101162.559.10000108.3T486T486-S488 PolarHBondContact O-N 2.78Å
489T34.2Very low34.7Very low134 Ų134141.1 Ų141.182%0.82283%0.834SS**  trans-79.8110.3168.146.20000109.5
490E33.3Very low34.6Very low186 Ų186144.4 Ų144.487%0.86985%0.851SS**  trans-129.9134.2154.5-83-169.2160.600109.4
491P37.1Very low34.7Very low115 Ų115147.4 Ų147.475%0.74786%0.857SS**PPolyproline II helixtrans-83.4152.3-177.532.7-32.2000111.8T493P491-T493 PolarHBondContact O-N 2.96Å
492P37.1Very low34.8Very low129 Ų129146.8 Ų146.884%0.83886%0.859SS**PPolyproline II helixtrans-75.1122.6-175.327.9-31.6000112.1
493T35.9Very low34.7Very low141 Ų141146.9 Ų146.987%0.86586%0.859SS**PPolyproline II helixtrans-67.3126.1167.332.40000111.4P491P491-T493 PolarHBondContact O-N 2.96Å
494K36.5Very low35Very low203 Ų203153.1 Ų153.188%0.88388%0.879SS**PPolyproline II helixtrans-59.4132.9174.7-77.6174.8173.8174.60111.7A496K494-A496 PolarHBondContact O-N 2.63Å
495K35.4Very low35.2Very low212 Ų212156.7 Ų156.792%0.92289%0.89SS**PPolyproline II helixtrans-61.9124.6161.6-75.1-179.4174.2-1800109.9
496A39.1Very low35.5Very low100 Ų100149.4 Ų149.483%0.82689%0.885SS**PPolyproline II helixtrans-88.1132.2158.700000108.9K494K494-A496 PolarHBondContact O-N 2.63Å
497K40Very low36Very low211 Ų211151.9 Ų151.992%0.91790%0.898SS**PPolyproline II helixtrans-77.8128.1168.4-75.2177172.5179.80109.1
498A41.6Very low36.3Very low177 Ų177156.8 Ų156.8100%1.46391%0.906SS**  trans-178.70133.300000107.6

Retrieved 498 of 498 residues in 144.8 ms (Link to these results)

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