A0A087YE52_POEFO Loading...

Transmembrane protein with EGF-like and two follistatin-like domains 2a

AlphaFold DB , UniProt , Accession A0A087YE52, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 371 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
1M40Very low40.6Very low240 Ų240145.8 Ų145.8100%1.18285%0.846SS**  0122.80-73.985.1160.700108.7
2G40Very low41.1Very low76 Ų76142.4 Ų142.478%0.78484%0.835SS**  trans-86.4172.916800000111.6
3P41.2Very low41.2Very low134 Ų134148.6 Ų148.687%0.8784%0.836SS**  trans-123.4124.9130.631.6-20.9000110.7
4S34.3Very low41.4Very low119 Ų119146.1 Ų146.183%0.83283%0.825SS**PPolyproline II helixtrans-75.7131.7172.145.80000111.2
5A38.7Very low41.6Very low90 Ų90142.9 Ų142.974%0.74481%0.81SS**PPolyproline II helixtrans-65.1151.2166.400000111.6
6P40.9Very low41.8Very low126 Ų126137.6 Ų137.682%0.81879%0.79SS**PPolyproline II helixtrans-71.6130.2-179.827.4-32.7000112.3
7A38.8Very low41.9Very low99 Ų99133.6 Ų133.682%0.81878%0.777SS**PPolyproline II helixtrans-70.1132.9173.600000111.2
8R41.8Very low42.1Very low235 Ų235130.4 Ų130.489%0.88777%0.769SS**PPolyproline II helixtrans-70136.8172.5-67.5-179.5-177.5-165.5-0.6110.3
9P42.1Very low42.3Very low121 Ų121129.8 Ų129.879%0.78676%0.761SS**PPolyproline II helixtrans-74.3147.1175.828.7-31.3000112.2
10N41Very low42.8Very low136 Ų136127.6 Ų127.673%0.72775%0.749SS**PPolyproline II helixtrans-64.1130.2-177.7-75.2-36.7000112.6C12 W13N10-C12 PolarHBondContact O-N 3.37Å; N10-W13 PolarHBondContact O-N 2.95Å
11R48Very low42.9Very low228 Ų228123.4 Ų123.486%0.8673%0.734SS**THydrogen-bonded Turntrans-61.2-4.4-177.8-75-174.8178.7-138.40.5116.3
12C46.8Very low43.2Very low105 Ų105113.5 Ų113.571%0.70969%0.693SS**Hα-helixtrans-81.6-17.9177.7-75.90000114.5N10N10-C12 PolarHBondContact O-N 3.37Å
13W42.4Very low43.5Very low223 Ų223118.6 Ų118.685%0.84569%0.689SS**Hα-helixtrans-81.3-28.7179-93.156.6000113N10N10-W13 PolarHBondContact O-N 2.95Å
14V43Very low43.9Very low113 Ų113116.9 Ų116.969%0.68567%0.671SS**Hα-helixtrans-80.4-29-172.8-175.30000112.2
15T45.3Very low44.6Very low98 Ų98120.5 Ų120.560%0.60167%0.666SS**Hα-helixtrans-85.1-19.2-179.750.10000114.3
16A44.9Very low45.3Very low59 Ų59121.2 Ų121.249%0.48866%0.657SS.*Hα-helixtrans-80.3-29.417600000113T20A16-T20 PolarHBondContact O-OG1 3.37Å
17A43.6Very low45.9Very low69 Ų69119 Ų11957%0.5764%0.641SS**Hα-helixtrans-74.1-26.3178.700000113.3
18A44.2Very low46.6Very low77 Ų77118.7 Ų118.764%0.63663%0.625SS**Hα-helixtrans-79.5-23-178.300000113.8
19L47Very low47.1Very low119 Ų119112.1 Ų112.162%0.62361%0.61SS**Hα-helixtrans-97.6-19.8-178.7-70.6170.6000113.8
20T51.6Low47.5Very low84 Ų84109.4 Ų109.452%0.51559%0.594SS.*Hα-helixtrans-85.5-30177.9530000113A16 I24A16-T20 PolarHBondContact O-OG1 3.37Å; T20-I24 WeakPolarHBondContact O-CB 3.37Å; T20-I24 VanDerWaalsContact O-CD1 3.31Å; T20-I24 WeakPolarHBondContact O-CD1 3.31Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 3.47Å; T20-I24 PolarHBondContact O-N 3.18Å
21G44.8Very low47.8Very low41 Ų41110.3 Ų110.342%0.42359%0.592SS.*Hα-helixtrans-71.6-35.5178.600000114.2R25G21-R25 WeakPolarHBondContact O-CG 3.39Å; G21-R25 PolarHBondContact O-N 3.39Å
22G46.6Very low47.9Very low32 Ų32104.9 Ų104.933%0.3358%0.579SS.*Hα-helixtrans-74.5-43.5179.400000112.8R25 I26G22-R25 PolarHBondContact O-N 3.38Å; G22-I26 WeakPolarHBondContact O-CB 3.36Å; G22-I26 WeakPolarHBondContact O-CD1 3.37Å; G22-I26 WeakPolarHBondContact O-CG1 3.14Å; G22-I26 PolarHBondContact O-N 3.44Å
23W45.4Very low47.8Very low183 Ų183103.7 Ų103.769%0.69358%0.577SS**Hα-helixtrans-72.9-33.1-176.8-73.967.2000112.7I26 T27W23-I26 PolarHBondContact O-N 3.42Å; W23-T27 WeakPolarHBondContact O-CB 3.36Å; W23-T27 VanDerWaalsContact O-CG2 3.28Å; W23-T27 WeakPolarHBondContact O-CG2 3.23Å; W23-T27 PolarHBondContact O-N 2.97Å; W23-T27 PolarHBondContact O-OG1 2.94Å
24I50.6Low48Very low98 Ų9897.9 Ų97.950%0.50357%0.566SS.*Hα-helixtrans-71.3-36.6175.9-65.6169.6000111.4T20 T27 I28T20-I24 WeakPolarHBondContact O-CB 3.37Å; T20-I24 VanDerWaalsContact O-CD1 3.31Å; T20-I24 WeakPolarHBondContact O-CD1 3.31Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 3.47Å; T20-I24 PolarHBondContact O-N 3.18Å; I24-T27 PolarHBondContact O-OG1 3.38Å; I24-I28 HydrophobicContact CG2-CD1 3.79Å; I24-I28 WeakPolarHBondContact O-CB 3.16Å; I24-I28 WeakPolarHBondContact O-CD1 3.22Å; I24-I28 WeakPolarHBondContact O-CG1 3.39Å; I24-I28 PolarHBondContact O-N 3.29Å
25R50Low48Very low194 Ų19497 Ų9773%0.73256%0.558SS**Hα-helixtrans-70.2-39.1173.8-74.3-86.9-177.9160.8-2111.5G21 G22 V29G21-R25 WeakPolarHBondContact O-CG 3.39Å; G21-R25 PolarHBondContact O-N 3.39Å; G22-R25 PolarHBondContact O-N 3.38Å; R25-V29 WeakPolarHBondContact O-CB 3.28Å; R25-V29 VanDerWaalsContact O-CG2 3.23Å; R25-V29 WeakPolarHBondContact O-CG2 3.45Å; R25-V29 PolarHBondContact O-N 3.05Å
26I51.9Low47.9Very low105 Ų10598.2 Ų98.254%0.53857%0.567SS.*Hα-helixtrans-69.9-39.3177.2-67.5164.9000111G22 W23 S30G22-I26 WeakPolarHBondContact O-CB 3.36Å; G22-I26 WeakPolarHBondContact O-CD1 3.37Å; G22-I26 WeakPolarHBondContact O-CG1 3.14Å; G22-I26 PolarHBondContact O-N 3.44Å; W23-I26 PolarHBondContact O-N 3.42Å; I26-S30 WeakPolarHBondContact O-CB 3.16Å; I26-S30 PolarHBondContact O-N 3.49Å; I26-S30 PolarHBondContact O-OG 3.48Å; I26-S30 VanDerWaalsContact O-OG 3.11Å
27T53.6Low48.2Very low80 Ų80101.4 Ų101.449%0.49158%0.58SS.*Hα-helixtrans-70.9-34.7175.755.40000112.4W23 I24 F31W23-T27 WeakPolarHBondContact O-CB 3.36Å; W23-T27 VanDerWaalsContact O-CG2 3.28Å; W23-T27 WeakPolarHBondContact O-CG2 3.23Å; W23-T27 PolarHBondContact O-N 2.97Å; W23-T27 PolarHBondContact O-OG1 2.94Å; I24-T27 PolarHBondContact O-OG1 3.38Å; T27-F31 WeakPolarHBondContact O-CB 2.78Å; T27-F31 PolarHBondContact O-N 3.45Å
28I54.4Low48Very low93 Ų93106.1 Ų106.148%0.47759%0.59SS.*Hα-helixtrans-70.1-40.3174.9-68.1167.6000111.2I24 L32I24-I28 HydrophobicContact CG2-CD1 3.79Å; I24-I28 WeakPolarHBondContact O-CB 3.16Å; I24-I28 WeakPolarHBondContact O-CD1 3.22Å; I24-I28 WeakPolarHBondContact O-CG1 3.39Å; I24-I28 PolarHBondContact O-N 3.29Å; I28-L32 HydrophobicContact CG2-CD1 4.1Å; I28-L32 WeakPolarHBondContact O-CB 3.3Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.39Å; I28-L32 PolarHBondContact O-N 3.11Å
29V51.8Low47.6Very low96 Ų96110.7 Ų110.758%0.58260%0.599SS**Hα-helixtrans-72.3-35.8176.21750000111.4R25 A33R25-V29 WeakPolarHBondContact O-CB 3.28Å; R25-V29 VanDerWaalsContact O-CG2 3.23Å; R25-V29 WeakPolarHBondContact O-CG2 3.45Å; R25-V29 PolarHBondContact O-N 3.05Å; V29-A33 WeakPolarHBondContact O-CB 3.17Å; V29-A33 PolarHBondContact O-N 3.48Å
30S50.4Low47.4Very low64 Ų64112.6 Ų112.645%0.44861%0.608SS.*Hα-helixtrans-71.1-34.6172.7-72.50000112.7I26 A33 T34I26-S30 WeakPolarHBondContact O-CB 3.16Å; I26-S30 PolarHBondContact O-N 3.49Å; I26-S30 PolarHBondContact O-OG 3.48Å; I26-S30 VanDerWaalsContact O-OG 3.11Å; S30-A33 CarbonylContact O-C 3.59Å; S30-A33 PolarHBondContact O-N 3.34Å; S30-T34 VanDerWaalsContact O-CG2 3.3Å; S30-T34 WeakPolarHBondContact O-CG2 3.3Å; S30-T34 PolarHBondContact O-N 2.99Å; S30-T34 PolarHBondContact O-OG1 3.23Å; S30-T34 VanDerWaalsContact O-OG1 3.09Å
31F48.5Very low47.1Very low156 Ų156119.3 Ų119.368%0.68462%0.624SS**Hα-helixtrans-73-32.7176.1-153.1-96.9000111.8T27 T34 L35T27-F31 WeakPolarHBondContact O-CB 2.78Å; T27-F31 PolarHBondContact O-N 3.45Å; F31-T34 WeakPolarHBondContact CA-OG1 3.31Å; F31-T34 PolarHBondContact O-OG1 2.85Å; F31-L35 PolarHBondContact O-N 2.78Å
32L48.3Very low47.1Very low113 Ų113121.8 Ų121.859%0.59264%0.641SS**Hα-helixtrans-74.9-23.5169.8-71170.5000112.9I28 L35I28-L32 HydrophobicContact CG2-CD1 4.1Å; I28-L32 WeakPolarHBondContact O-CB 3.3Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.39Å; I28-L32 PolarHBondContact O-N 3.11Å; L32-L35 HydrophobicContact CD2-CD1 3.97Å
33A46Very low46.5Very low80 Ų80130.1 Ų130.166%0.66167%0.668SS**Hα-helixtrans-89.9-11.2174.200000114.2V29 S30V29-A33 WeakPolarHBondContact O-CB 3.17Å; V29-A33 PolarHBondContact O-N 3.48Å; S30-A33 CarbonylContact O-C 3.59Å; S30-A33 PolarHBondContact O-N 3.34Å
34T46.1Very low46.3Very low101 Ų101125.1 Ų125.162%0.6266%0.659SS**SBendtrans-97.41.1169.356.10000113S30 F31 P36S30-T34 VanDerWaalsContact O-CG2 3.3Å; S30-T34 WeakPolarHBondContact O-CG2 3.3Å; S30-T34 PolarHBondContact O-N 2.99Å; S30-T34 PolarHBondContact O-OG1 3.23Å; S30-T34 VanDerWaalsContact O-OG1 3.09Å; F31-T34 WeakPolarHBondContact CA-OG1 3.31Å; F31-T34 PolarHBondContact O-OG1 2.85Å; T34-P36 WeakPolarHBondContact O-CD 3.47Å
35L43.3Very low46.1Very low96 Ų96126.9 Ų126.950%0.50368%0.681SS.*SBendtrans-67.7118.3159.7-70.7172.5000106.6F31 L32 V37F31-L35 PolarHBondContact O-N 2.78Å; L32-L35 HydrophobicContact CD2-CD1 3.97Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 3.5Å
36P42.3Very low45.8Very low122 Ų122120.9 Ų120.979%0.79267%0.668SS**  trans-68.492.8178.428.4-31.9000108.7T34 E38T34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-E38 VanDerWaalsContact C-N 3.25Å; P36-E38 PolarHBondContact O-N 3.19Å
37V51.1Low45.7Very low127 Ų127124.1 Ų124.177%0.7769%0.686SS**  trans-83.579.4159-177.90000106.2L35L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 3.5Å
38E39.4Very low45.6Very low167 Ų167124.3 Ų124.378%0.7869%0.69SS**  trans17093.8145.5-100164.4137.700110.5P36P36-E38 VanDerWaalsContact C-N 3.25Å; P36-E38 PolarHBondContact O-N 3.19Å
39Q37.4Very low45.1Very low174 Ų174125.9 Ų125.981%0.81370%0.699SS**  -13971.4121.9-84.3-64.8-10.900106.6R41Q39-R41 PolarHBondContact OE1-O 3.41Å
40L42.6Very low45Very low159 Ų159126.6 Ų126.683%0.83271%0.707SS**  trans-76.9123.7147.5-90.4161.3000105.9
41R44.6Very low45.1Very low225 Ų225131.4 Ų131.485%0.84972%0.723SS**SBendtrans89.8119.7-170.4-58.2-176.3-179.2147.40.8112.7Q39Q39-R41 PolarHBondContact OE1-O 3.41Å
42A45.2Very low44.8Very low93 Ų93130.1 Ų130.177%0.76973%0.728SS**  cis-156.3124.11.900000105.7
43F34.1Very low44.9Very low207 Ų207130.4 Ų130.491%0.90874%0.737SS**  trans-89.2137.5156.9-78.7-78000107.4
44P40.2Very low45.1Very low77 Ų77131.9 Ų131.950%0.574%0.738SS.*  trans-64.8136.6-172.226.8-33.3000110.1S46P44-S46 PolarHBondContact O-N 3Å; P44-S46 VanDerWaalsContact O-N 3.11Å
45S46.1Very low45.4Very low136 Ų136131.3 Ų131.395%0.95175%0.752SS**SBendtrans-78.224.7176.340.20000113.3
46S44.9Very low45.4Very low67 Ų67137.3 Ų137.347%0.46977%0.768SS.*SBendtrans-158.9141.3-177.6176.20000112.7P44 S48P44-S46 PolarHBondContact O-N 3Å; P44-S46 VanDerWaalsContact O-N 3.11Å; S46-S48 PolarHBondContact O-N 2.89Å; S46-S48 PolarHBondContact OG-OG 3.29Å; S46-S48 VanDerWaalsContact OG-OG 3.13Å
47L49.5Very low45.7Very low174 Ų174138.4 Ų138.491%0.91177%0.767SS**THydrogen-bonded Turntrans-7459.2169.4-165.984.4000110.9
48S51.9Low45.6Very low84 Ų84138.1 Ų138.159%0.58777%0.77SS**THydrogen-bonded Turntrans-134.2-2.6176.158.10000115.6S46S46-S48 PolarHBondContact O-N 2.89Å; S46-S48 PolarHBondContact OG-OG 3.29Å; S46-S48 VanDerWaalsContact OG-OG 3.13Å
49D42.7Very low46.2Very low125 Ų125134.4 Ų134.467%0.66876%0.762SS**  trans-103.316.8-179.4-72.3-24.8000114.6Q51D49-Q51 PolarHBondContact O-N 2.92Å
50C50.8Low47.1Very low111 Ų111129.4 Ų129.475%0.7576%0.757SS**  trans-78.869.5170.1-77.50000111.2
51Q51.4Low47Very low165 Ų165130.9 Ų130.977%0.77176%0.757SS**  trans-132.5124163.9-139.685.89.100110.5D49D49-Q51 PolarHBondContact O-N 2.92Å
52T43Very low47Very low129 Ų129128.5 Ų128.579%0.79176%0.761SS**SBendtrans102.7159.116780.60000117.8
53P49.1Very low47.2Very low120 Ų120129.5 Ų129.578%0.77975%0.754SS**SBend-125.566-86.535-14.9000109.7
54T50.5Low48Very low110 Ų110131.3 Ų131.368%0.67576%0.755SS**SBendtrans-140.6110.6167.251.10000107.4W56T54-W56 VanDerWaalsContact O-CD1 3.25Å; T54-W56 PolarHBondContact O-N 2.81Å; T54-W56 VanDerWaalsContact O-N 3.09Å
55G53.6Low48.4Very low89 Ų89134.5 Ų134.592%0.91877%0.768SS**  trans-63.5105-164.800000114.4
56W42.2Very low48.7Very low223 Ų223133.5 Ų133.585%0.84576%0.756SS**  trans-109.9121.8163.4-69.385.9000108.9T54 C58T54-W56 VanDerWaalsContact O-CD1 3.25Å; T54-W56 PolarHBondContact O-N 2.81Å; T54-W56 VanDerWaalsContact O-N 3.09Å; W56-C58 PolarHBondContact O-N 3.09Å
57N49.7Very low48.9Very low144 Ų144137 Ų13777%0.7777%0.769SS**  trans-79110.8175.9-179.25.5000108.9S59N57-S59 PolarHBondContact ND2-OG 3.37Å; N57-S59 PolarHBondContact O-N 3.48Å; N57-S59 PolarHBondContact OD1-OG 2.75Å
58C48.5Very low49.1Very low122 Ų122134.9 Ų134.982%0.82476%0.758SS**  trans-88.788.8173.7-64.60000108.9W56W56-C58 PolarHBondContact O-N 3.09Å
59S52.6Low49.4Very low88 Ų88137.1 Ų137.162%0.61576%0.757SS**  trans-149.3120.7165.541.80000111.4N57N57-S59 PolarHBondContact ND2-OG 3.37Å; N57-S59 PolarHBondContact O-N 3.48Å; N57-S59 PolarHBondContact OD1-OG 2.75Å
60G55.8Low50.2Low70 Ų70136.4 Ų136.472%0.72275%0.753SS**  trans96.589154.100000116.2
61F39.8Very low50.9Low190 Ų190133.4 Ų133.483%0.83373%0.733SS**  trans-156.880.2143.7-104.2-77.8000107.6D63F61-D63 VanDerWaalsContact C-N 3.3Å; F61-D63 HydrophobicContact CD1-CB 4.34Å; F61-D63 VanDerWaalsContact CD1-OD2 3.26Å; F61-D63 WeakPolarHBondContact CD1-OD2 3.3Å; F61-D63 VanDerWaalsContact CE1-OD2 3.27Å; F61-D63 WeakPolarHBondContact CE1-OD2 3.14Å; F61-D63 PolarHBondContact O-N 2.85Å
62D46Very low51.6Low174 Ų174130.5 Ų130.593%0.9372%0.723SS**  trans-89.578.1162.5-123.5-38.9000106.9
63D48.8Very low52.5Low115 Ų115130.3 Ų130.362%0.61572%0.721SS**  trans-109.397.7170.3-99.6-31.9000107.6F61F61-D63 VanDerWaalsContact C-N 3.3Å; F61-D63 HydrophobicContact CD1-CB 4.34Å; F61-D63 VanDerWaalsContact CD1-OD2 3.26Å; F61-D63 WeakPolarHBondContact CD1-OD2 3.3Å; F61-D63 VanDerWaalsContact CE1-OD2 3.27Å; F61-D63 WeakPolarHBondContact CE1-OD2 3.14Å; F61-D63 PolarHBondContact O-N 2.85Å
64R51.2Low53.2Low245 Ų245130.5 Ų130.593%0.92572%0.716SS**  trans-142.992.6150.5-75.3-154.8-178.2-153.33111.6
65D47.8Very low54.3Low144 Ų144127.7 Ų127.777%0.7770%0.701SS**  trans-69.8133159.6-106.4-40000111.4
66T53.3Low55.5Low115 Ų115124 Ų12471%0.70666%0.661SS**SBendtrans65.2111.7154.557.30000121.1
67D49.6Very low57.2Low140 Ų140119.5 Ų119.575%0.74965%0.647SS**  trans69.651.3138.5-59.6-20.4000120.4
68L53.2Low58.7Low129 Ų129115.4 Ų115.468%0.67562%0.623SS**  trans-131.298144-161.572.4000107.3L70L68-L70 HydrophobicContact CD2-CD1 3.99Å; L68-L70 HydrophobicContact CG-CD1 4.37Å; L68-L70 PolarHBondContact O-N 3.45Å
69F58.4Low60Low131 Ų131115.9 Ų115.958%0.57562%0.617SS**  trans-59.682.5170.7-74.1-88.8000109.1V89F69-V89 HydrophobicContact CB-CG2 4.01Å; F69-V89 HydrophobicContact CD1-CG2 3.92Å; F69-V89 HydrophobicContact CG-CG2 4.38Å
70L59.8Low61.3Low110 Ų110112.3 Ų112.358%0.57660%0.595SS**  trans-91.9134.1170.9-141.673.7000105.4L68 D72L68-L70 HydrophobicContact CD2-CD1 3.99Å; L68-L70 HydrophobicContact CG-CD1 4.37Å; L68-L70 PolarHBondContact O-N 3.45Å; L70-D72 PolarHBondContact O-N 3.18Å
71C65.2Low62.7Low49 Ų49115.7 Ų115.733%0.33159%0.591SS.*  trans-61.990.4163.5-81.90000107.4C82C71-C82 WeakPolarHBondContact CA-SG 3.31Å; C71-C82 HydrophobicContact CB-CB 3.5Å; C71-C82 VanDerWaalsContact CB-CB 3.5Å; C71-C82 WeakPolarHBondContact CB-SG 3.31Å; C71-C82 WeakPolarHBondContact SG-CB 3.25Å; C71-C82 PolarHBondContact SG-O 3.26Å; C71-C82 CovalentContact SG-SG 2.03Å; C71-C82 PolarHBondContact SG-SG 2.93Å
72D64.9Low64.8Low103 Ų103108 Ų10855%0.55156%0.561SS**  trans-81.8160.4174.6-155.2-3.7000108.6L70 N74 S75L70-D72 PolarHBondContact O-N 3.18Å; D72-N74 PolarHBondContact O-N 3.27Å; D72-S75 PolarHBondContact N-OG 3.27Å; D72-S75 VanDerWaalsContact N-OG 3.14Å; D72-S75 PolarHBondContact O-N 2.92Å; D72-S75 PolarHBondContact O-OG 3.32Å
73T61.9Low66.6Low125 Ų125103.5 Ų103.577%0.76754%0.536SS*.THydrogen-bonded Turntrans-58.5-13.5-179.646.40000113.4
74N63.6Low68Low125 Ų125104 Ų10467%0.66853%0.53SS*.THydrogen-bonded Turntrans-108.80.6-178.1-63.416.5000113.6D72D72-N74 PolarHBondContact O-N 3.27Å
75S74.7Confident69.3Low51 Ų5197.5 Ų97.536%0.35751%0.512SS..THydrogen-bonded Turntrans-75.3-35.3-178.2-58.90000113.3D72D72-S75 PolarHBondContact N-OG 3.27Å; D72-S75 VanDerWaalsContact N-OG 3.14Å; D72-S75 PolarHBondContact O-N 2.92Å; D72-S75 PolarHBondContact O-OG 3.32Å
76C78.7Confident70.6Confident12 Ų1293.2 Ų93.28%0.08150%0.502CS..SBendtrans-116.4109.2172.6-65.90000108.6G80 C82 C91C76-G80 WeakPolarHBondContact CB-O 3.34Å; C76-C82 HydrophobicContact CB-CB 4.32Å; C76-C82 VanDerWaalsContact SG-CB 3.55Å; C76-C91 VanDerWaalsContact CA-SG 3.51Å; C76-C91 HydrophobicContact CB-CB 3.84Å; C76-C91 WeakPolarHBondContact CB-SG 3.25Å; C76-C91 WeakPolarHBondContact SG-CA 3.32Å; C76-C91 WeakPolarHBondContact SG-CB 3.14Å; C76-C91 CovalentContact SG-SG 2.03Å; C76-C91 PolarHBondContact SG-SG 2.86Å
77K76.8Confident71.3Confident127 Ų12794.5 Ų94.555%0.55251%0.505SS*.  trans-78.7157.7174.7-67.2-174.1177.2-176.70110.6Q126K77-Q126 PolarHBondContact O-NE2 3.36Å; K77-Q126 VanDerWaalsContact O-NE2 3.09Å
78F82.1Confident72Confident59 Ų5994.4 Ų94.426%0.25950%0.501SS..SBendtrans6557.2176.3-42.8-74.3000113.2G80 F95 A122 C123 E128F78-G80 PolarHBondContact O-N 2.83Å; F78-F95 WeakPolarHBondContact O-CZ 3.32Å; F78-A122 HydrophobicContact CB-CB 4.35Å; F78-A122 HydrophobicContact CD1-CB 4.43Å; F78-A122 HydrophobicContact CD2-CB 4.35Å; F78-A122 HydrophobicContact CG-CB 4.1Å; F78-C123 HydrophobicContact CB-CB 4.27Å; F78-C123 WeakPolarHBondContact O-CB 3.44Å; F78-E128 HydrophobicContact CE1-CB 3.77Å; F78-E128 HydrophobicContact CE1-CG 3.87Å; F78-E128 HydrophobicContact CZ-CB 3.57Å; F78-E128 HydrophobicContact CZ-CG 4.21Å
79D75.1Confident73.1Confident131 Ų13190.6 Ų90.670%0.70148%0.483SS*.SBendtrans55.324.7172.4-58.5-33.5000116F95D79-F95 HydrophobicContact CB-CE1 4.01Å; D79-F95 HydrophobicContact CB-CZ 4.01Å
80G81.5Confident74.2Confident14 Ų1486.8 Ų86.814%0.14447%0.471CS..PPolyproline II helixtrans-79.3136.517500000112.8C76 F78 C82 C123C76-G80 WeakPolarHBondContact CB-O 3.34Å; F78-G80 PolarHBondContact O-N 2.83Å; G80-C82 PolarHBondContact O-N 2.8Å; G80-C123 WeakPolarHBondContact CA-SG 3.43Å
81E84.8Confident75.5Confident140 Ų14083.4 Ų83.465%0.65446%0.456SS*.EExtended strand (participates in β ladder)trans-78.6120.3174.4-170.5177.5-173.600109.8L83 I92E81-L83 PolarHBondContact O-N 3.25Å; E81-I92 HydrophobicContact CB-CB 4.41Å; E81-I92 PolarHBondContact N-O 3.42Å; E81-I92 WeakPolarHBondContact O-CB 3.28Å; E81-I92 PolarHBondContact O-N 3.26Å
82C83.4Confident76.5Confident30 Ų3084 Ų8420%0.20346%0.455CS..EExtended strand (participates in β ladder)trans-82.9117.8179.7-1750000110.5C71 C76 G80 V89C71-C82 WeakPolarHBondContact CA-SG 3.31Å; C71-C82 HydrophobicContact CB-CB 3.5Å; C71-C82 VanDerWaalsContact CB-CB 3.5Å; C71-C82 WeakPolarHBondContact CB-SG 3.31Å; C71-C82 WeakPolarHBondContact SG-CB 3.25Å; C71-C82 PolarHBondContact SG-O 3.26Å; C71-C82 CovalentContact SG-SG 2.03Å; C71-C82 PolarHBondContact SG-SG 2.93Å; C76-C82 HydrophobicContact CB-CB 4.32Å; C76-C82 VanDerWaalsContact SG-CB 3.55Å; G80-C82 PolarHBondContact O-N 2.8Å; C82-V89 WeakPolarHBondContact SG-CG1 3.39Å
83L83.1Confident77.7Confident78 Ų7880 Ų8041%0.40844%0.435SS..EExtended strand (participates in β ladder)trans-112.3136.5173.2-169.570.3000110.7E81 I85 T90 I92E81-L83 PolarHBondContact O-N 3.25Å; L83-I85 HydrophobicContact CD2-CD1 4.09Å; L83-I85 HydrophobicContact CD2-CG1 3.95Å; L83-I85 HydrophobicContact CG-CG1 4.24Å; L83-T90 PolarHBondContact N-O 3.43Å; L83-T90 PolarHBondContact O-N 3.46Å; L83-I92 HydrophobicContact CB-CD1 3.61Å; L83-I92 HydrophobicContact CB-CG1 4.17Å; L83-I92 HydrophobicContact CD2-CD1 3.7Å; L83-I92 HydrophobicContact CG-CD1 4.23Å
84R78.9Confident78.9Confident125 Ų12579.1 Ų79.147%0.47243%0.426SS..EExtended strand (participates in β ladder)trans-96.9113173.4-176-179.7173.9173.71.8110.1G86R84-G86 PolarHBondContact NE-O 3.2Å
85I78.8Confident80Confident110 Ų11074.7 Ų74.756%0.56440%0.4SS*.EExtended strand (participates in β ladder)trans-110.394.9171.8-54.8174.8000107.4L83 N87 M88L83-I85 HydrophobicContact CD2-CD1 4.09Å; L83-I85 HydrophobicContact CD2-CG1 3.95Å; L83-I85 HydrophobicContact CG-CG1 4.24Å; I85-N87 PolarHBondContact O-N 3.26Å; I85-M88 PolarHBondContact N-O 2.95Å; I85-M88 VanDerWaalsContact N-O 3.13Å; I85-M88 PolarHBondContact O-N 3.5Å
86G74.1Confident80.6Confident53 Ų5380.5 Ų80.555%0.54642%0.419SS..THydrogen-bonded Turntrans70.6-115.2-177.200000113.2R84R84-G86 PolarHBondContact NE-O 3.2Å
87N68.1Low81.2Confident143 Ų14381 Ų8177%0.76542%0.423SS*.THydrogen-bonded Turntrans-102.83.9175.8-795.7000113.2I85I85-N87 PolarHBondContact O-N 3.26Å
88M64.8Low81.7Confident137 Ų13779.5 Ų79.568%0.67542%0.421SS*.EExtended strand (participates in β ladder)trans-104.8130.3178.7-164.7172.8-171.700109.8I85I85-M88 PolarHBondContact N-O 2.95Å; I85-M88 VanDerWaalsContact N-O 3.13Å; I85-M88 PolarHBondContact O-N 3.5Å
89V76.1Confident81.9Confident49 Ų4982.3 Ų82.330%0.29744%0.439SS..EExtended strand (participates in β ladder)trans-88.5128.1171.2-179.20000107.8F69 C82F69-V89 HydrophobicContact CB-CG2 4.01Å; F69-V89 HydrophobicContact CD1-CG2 3.92Å; F69-V89 HydrophobicContact CG-CG2 4.38Å; C82-V89 WeakPolarHBondContact SG-CG1 3.39Å
90T81.4Confident82.6Confident52 Ų5280.9 Ų80.932%0.31943%0.431SS..EExtended strand (participates in β ladder)trans-129.9129.7-177.9-540000110.1L83L83-T90 PolarHBondContact N-O 3.43Å; L83-T90 PolarHBondContact O-N 3.46Å
91C86.6Confident82.9Confident38 Ų3887.6 Ų87.626%0.25745%0.453SS..EExtended strand (participates in β ladder)trans-89.9118.6176-58.40000110.4C76C76-C91 VanDerWaalsContact CA-SG 3.51Å; C76-C91 HydrophobicContact CB-CB 3.84Å; C76-C91 WeakPolarHBondContact CB-SG 3.25Å; C76-C91 WeakPolarHBondContact SG-CA 3.32Å; C76-C91 WeakPolarHBondContact SG-CB 3.14Å; C76-C91 CovalentContact SG-SG 2.03Å; C76-C91 PolarHBondContact SG-SG 2.86Å
92I88.1Confident83.2Confident63 Ų6383.6 Ų83.632%0.32344%0.444SS..EExtended strand (participates in β ladder)trans-93.4112.4175.8-57.4-179.9000108.1E81 L83 D94E81-I92 HydrophobicContact CB-CB 4.41Å; E81-I92 PolarHBondContact N-O 3.42Å; E81-I92 WeakPolarHBondContact O-CB 3.28Å; E81-I92 PolarHBondContact O-N 3.26Å; L83-I92 HydrophobicContact CB-CD1 3.61Å; L83-I92 HydrophobicContact CB-CG1 4.17Å; L83-I92 HydrophobicContact CD2-CD1 3.7Å; L83-I92 HydrophobicContact CG-CD1 4.23Å; I92-D94 HydrophobicContact CG2-CB 4.14Å; I92-D94 PolarHBondContact O-N 2.94Å
93C89.2Confident83.6Confident19 Ų1983.5 Ų83.513%0.12844%0.443CS..  trans-100.559.8-179.5-54.40000110.7F95 R120 C123 K124C93-F95 HydrophobicContact CB-CD2 4.25Å; C93-F95 HydrophobicContact CB-CE2 3.93Å; C93-F95 PolarHBondContact O-N 2.93Å; C93-R120 HydrophobicContact CB-CG 4.44Å; C93-C123 VanDerWaalsContact CA-SG 3.58Å; C93-C123 HydrophobicContact CB-CB 3.71Å; C93-C123 WeakPolarHBondContact CB-SG 3.49Å; C93-C123 WeakPolarHBondContact SG-CB 3.26Å; C93-C123 PolarHBondContact SG-O 3.5Å; C93-C123 CovalentContact SG-SG 2.04Å; C93-C123 PolarHBondContact SG-SG 3.39Å; C93-K124 HydrophobicContact CB-CG 3.94Å; C93-K124 PolarHBondContact SG-N 3.43Å
94D86.4Confident84.1Confident106 Ų10680.4 Ų80.457%0.56743%0.427SS*.  trans-91.478.3178.8-172.614.1000111.5I92 K96I92-D94 HydrophobicContact CG2-CB 4.14Å; I92-D94 PolarHBondContact O-N 2.94Å; D94-K96 IonicContact OD1-NZ 3.08Å; D94-K96 PolarHBondContact OD1-NZ 3.28Å; D94-K96 IonicContact OD2-NZ 2.65Å; D94-K96 PolarHBondContact OD2-NZ 3.24Å
95F86.8Confident84.8Confident31 Ų3174.6 Ų74.614%0.13641%0.405CS..  trans-83.5124.4176-67.1-106.3000110F78 D79 C93 C97 R119 R120 C123F78-F95 WeakPolarHBondContact O-CZ 3.32Å; D79-F95 HydrophobicContact CB-CE1 4.01Å; D79-F95 HydrophobicContact CB-CZ 4.01Å; C93-F95 HydrophobicContact CB-CD2 4.25Å; C93-F95 HydrophobicContact CB-CE2 3.93Å; C93-F95 PolarHBondContact O-N 2.93Å; F95-C97 VanDerWaalsContact C-N 3.29Å; F95-C97 PolarHBondContact O-N 2.79Å; F95-R119 HydrophobicContact CE1-CB 4.27Å; F95-R120 HydrophobicContact CB-CB 4.26Å; F95-R120 HydrophobicContact CB-CG 4.48Å; F95-R120 HydrophobicContact CD2-CB 3.69Å; F95-R120 HydrophobicContact CD2-CG 3.75Å; F95-R120 HydrophobicContact CE2-CB 4.29Å; F95-R120 HydrophobicContact CE2-CG 4.46Å; F95-R120 HydrophobicContact CG-CB 4.01Å; F95-R120 HydrophobicContact CG-CG 4.39Å; F95-R120 PolarHBondContact O-NH2 3.14Å; F95-C123 HydrophobicContact CE2-CB 3.73Å; F95-C123 HydrophobicContact CZ-CB 4.04Å
96K88.5Confident85.4Confident174 Ų17469.3 Ų69.376%0.75738%0.379SS*.  trans-76.781.5169.3-57.9-56.6173.7-146.50109.8D94D94-K96 IonicContact OD1-NZ 3.08Å; D94-K96 PolarHBondContact OD1-NZ 3.28Å; D94-K96 IonicContact OD2-NZ 2.65Å; D94-K96 PolarHBondContact OD2-NZ 3.24Å
97C89.8Confident86.1Confident23 Ų2369.4 Ų69.416%0.15537%0.37CS..  trans-82.9138.6177.5-56.90000110.9F95 C116 F117 R120F95-C97 VanDerWaalsContact C-N 3.29Å; F95-C97 PolarHBondContact O-N 2.79Å; C97-C116 WeakPolarHBondContact CA-SG 3.34Å; C97-C116 HydrophobicContact CB-CB 3.66Å; C97-C116 WeakPolarHBondContact CB-SG 3.38Å; C97-C116 WeakPolarHBondContact SG-CB 2.94Å; C97-C116 CovalentContact SG-SG 2.04Å; C97-C116 PolarHBondContact SG-SG 2.95Å; C97-F117 HydrophobicContact CB-CD2 4.31Å; C97-F117 HydrophobicContact CB-CE1 4.19Å; C97-F117 HydrophobicContact CB-CE2 3.93Å; C97-F117 HydrophobicContact CB-CZ 3.87Å; C97-R120 PolarHBondContact SG-NH2 2.8Å
98N88.6Confident87.1Confident95 Ų9565.8 Ų65.851%0.50835%0.351SS..  trans-74.8158.5165.9-162.18.2000110D100 N114N98-D100 PolarHBondContact ND2-OD1 3.44Å; N98-D100 PolarHBondContact ND2-OD2 3.05Å; N98-D100 PolarHBondContact O-N 3.33Å; N98-N114 PolarHBondContact O-ND2 2.98Å
99N86.3Confident88.2Confident118 Ų11863 Ų6363%0.63134%0.339SS*.  trans-88.612.2175.9-69.3-30.5000112.8Y101 Q113N99-Y101 PolarHBondContact O-N 2.97Å; N99-Q113 PolarHBondContact O-NE2 3.45Å
100D88.4Confident88.9Confident101 Ų10165.3 Ų65.354%0.5435%0.345SS..  trans-56.8123.5171.7-63-21.2000108.8N98 A102 N114N98-D100 PolarHBondContact ND2-OD1 3.44Å; N98-D100 PolarHBondContact ND2-OD2 3.05Å; N98-D100 PolarHBondContact O-N 3.33Å; D100-A102 PolarHBondContact O-N 3.3Å; D100-N114 PolarHBondContact O-ND2 2.93Å
101Y88.6Confident89.4Confident155 Ų15566.2 Ų66.261%0.60835%0.348SS*.  trans-85.9102.6-178.5-167.3-95.8000108.7N99 P103 Q113N99-Y101 PolarHBondContact O-N 2.97Å; Y101-P103 HydrophobicContact CD1-CG 4.27Å; Y101-P103 HydrophobicContact CE1-CB 4.22Å; Y101-P103 HydrophobicContact CE1-CG 3.66Å; Y101-Q113 HydrophobicContact CD2-CG 3.85Å; Y101-Q113 HydrophobicContact CE2-CG 4.37Å
102A91.8Very high89.6Confident56 Ų5664.9 Ų64.946%0.46334%0.338SS..  trans-138.575.6177.700000107.3D100 Q113 N114D100-A102 PolarHBondContact O-N 3.3Å; A102-Q113 CarbonylContact C-O 3.59Å; A102-Q113 PolarHBondContact N-O 3.47Å; A102-Q113 VanDerWaalsContact O-O 3.13Å; A102-N114 HydrophobicContact CB-CB 4.44Å; A102-N114 VanDerWaalsContact O-CA 3.29Å; A102-N114 WeakPolarHBondContact O-CA 3.49Å
103P91.3Very high89.9Confident28 Ų2865.2 Ų65.218%0.18234%0.338CS..  trans-62.7143.1-165.924.4-33.1000111.5Y101 Y112 G135Y101-P103 HydrophobicContact CD1-CG 4.27Å; Y101-P103 HydrophobicContact CE1-CB 4.22Å; Y101-P103 HydrophobicContact CE1-CG 3.66Å; P103-Y112 CarbonylContact C-O 3.38Å; P103-Y112 VanDerWaalsContact CA-O 3.22Å; P103-Y112 WeakPolarHBondContact CA-O 3.23Å; P103-G135 WeakPolarHBondContact O-CA 3.33Å; P103-G135 PolarHBondContact O-N 3.41Å
104V93.3Very high90Very high13 Ų1365 Ų658%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-134.1142.5175.5-62.20000110.4Y112 L118 I131 G135V104-Y112 PolarHBondContact N-O 3.13Å; V104-Y112 PolarHBondContact O-N 3.32Å; V104-L118 HydrophobicContact CG2-CB 4.2Å; V104-L118 HydrophobicContact CG2-CD1 3.71Å; V104-I131 HydrophobicContact CB-CG1 4.3Å; V104-I131 HydrophobicContact CB-CG2 4.15Å; V104-I131 HydrophobicContact CG1-CD1 4.32Å; V104-I131 HydrophobicContact CG1-CG2 4.34Å; V104-I131 HydrophobicContact CG2-CG1 4.38Å; V104-G135 CarbonylContact C-O 2.99Å; V104-G135 VanDerWaalsContact CA-O 3.3Å; V104-G135 WeakPolarHBondContact CA-O 3.41Å
105C93.3Very high90.2Very high2 Ų264.1 Ų64.11%0.01433%0.328CS..EExtended strand (participates in β ladder)trans-90.6121.5172.5-178.50000109.5M132 S133 G135 C137C105-M132 PolarHBondContact O-N 3.33Å; C105-S133 PolarHBondContact N-O 2.95Å; C105-G135 PolarHBondContact N-O 3.3Å; C105-C137 WeakPolarHBondContact CA-SG 3.45Å; C105-C137 HydrophobicContact CB-CB 3.95Å; C105-C137 WeakPolarHBondContact CB-SG 3.27Å; C105-C137 WeakPolarHBondContact SG-CA 3.28Å; C105-C137 WeakPolarHBondContact SG-CB 3.32Å; C105-C137 CovalentContact SG-SG 2.04Å; C105-C137 PolarHBondContact SG-SG 3.32Å
106G91.9Very high90.5Very high0 Ų064.3 Ų64.30%033%0.333CS..EExtended strand (participates in β ladder)trans-81.5158.6175.400000113.1N108 N109 K110 L130G106-N108 PolarHBondContact O-N 3.3Å; G106-N109 PolarHBondContact O-N 2.96Å; G106-K110 PolarHBondContact N-O 3.23Å; G106-L130 CarbonylContact C-O 3.47Å; G106-L130 WeakPolarHBondContact CA-O 3.05Å
107S89.3Confident90.7Very high54 Ų5457.9 Ų57.938%0.37831%0.305SS..THydrogen-bonded Turntrans-59.8-11174.8610000115.1N109 V129 L130 M132S107-N109 VanDerWaalsContact C-N 3.35Å; S107-V129 WeakPolarHBondContact OG-CA 3.39Å; S107-L130 PolarHBondContact N-O 2.95Å; S107-L130 PolarHBondContact OG-N 3.1Å; S107-M132 VanDerWaalsContact CA-SD 3.55Å
108N88.1Confident90.9Very high68 Ų6857 Ų5736%0.36430%0.299SS..THydrogen-bonded Turntrans-94.715.9173.161.9-11000113.1G106 K110 Y112G106-N108 PolarHBondContact O-N 3.3Å; N108-K110 PolarHBondContact O-N 2.89Å; N108-K110 WeakPolarHBondContact OD1-CB 3.31Å; N108-K110 PolarHBondContact OD1-N 2.99Å; N108-Y112 PolarHBondContact ND2-OH 2.94Å
109N88.3Confident91Very high77 Ų7758.2 Ų58.241%0.41230%0.296SS..SBendtrans56.530.8-177.5-148.655.2000113.5G106 S107G106-N109 PolarHBondContact O-N 2.96Å; S107-N109 VanDerWaalsContact C-N 3.35Å
110K90.5Very high91.2Very high98 Ų9855.3 Ų55.343%0.42628%0.276SS..  trans-112.4135.8179-171.6179.6173.3-1720110.4G106 N108 Y112 D121 C137G106-K110 PolarHBondContact N-O 3.23Å; N108-K110 PolarHBondContact O-N 2.89Å; N108-K110 WeakPolarHBondContact OD1-CB 3.31Å; N108-K110 PolarHBondContact OD1-N 2.99Å; K110-Y112 HydrophobicContact CB-CE2 3.96Å; K110-Y112 HydrophobicContact CD-CE1 4.23Å; K110-Y112 HydrophobicContact CD-CE2 4.48Å; K110-Y112 HydrophobicContact CG-CE2 4.29Å; K110-Y112 WeakPolarHBondContact O-CD2 3.42Å; K110-Y112 VanDerWaalsContact O-CE2 3.28Å; K110-Y112 WeakPolarHBondContact O-CE2 3.3Å; K110-D121 IonicContact NZ-OD2 3.78Å; K110-D121 PolarHBondContact NZ-OD2 2.89Å; K110-C137 VanDerWaalsContact C-SG 3.53Å
111N91.5Very high91.4Very high72 Ų7251.9 Ų51.939%0.38526%0.258SS..EExtended strand (participates in β ladder)trans-79.1134.7175.4-54.253.5000110.2D136 C137N111-D136 WeakPolarHBondContact ND2-CA 3.04Å; N111-D136 WeakPolarHBondContact ND2-CB 3.02Å; N111-D136 VanDerWaalsContact ND2-CG 3.27Å; N111-D136 PolarHBondContact ND2-OD1 3.24Å; N111-C137 PolarHBondContact ND2-N 2.95Å; N111-C137 WeakPolarHBondContact OD1-CB 3.37Å
112Y92.4Very high91.5Very high10 Ų1044.6 Ų44.64%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-123.2136.7176.1-65.5-84.3000109.8P103 V104 N108 K110 N114 F117 L118 D121 V129P103-Y112 CarbonylContact C-O 3.38Å; P103-Y112 VanDerWaalsContact CA-O 3.22Å; P103-Y112 WeakPolarHBondContact CA-O 3.23Å; V104-Y112 PolarHBondContact N-O 3.13Å; V104-Y112 PolarHBondContact O-N 3.32Å; N108-Y112 PolarHBondContact ND2-OH 2.94Å; K110-Y112 HydrophobicContact CB-CE2 3.96Å; K110-Y112 HydrophobicContact CD-CE1 4.23Å; K110-Y112 HydrophobicContact CD-CE2 4.48Å; K110-Y112 HydrophobicContact CG-CE2 4.29Å; K110-Y112 WeakPolarHBondContact O-CD2 3.42Å; K110-Y112 VanDerWaalsContact O-CE2 3.28Å; K110-Y112 WeakPolarHBondContact O-CE2 3.3Å; Y112-N114 PolarHBondContact O-N 3.3Å; Y112-F117 HydrophobicContact CD1-CB 4.4Å; Y112-L118 VanDerWaalsContact CD1-CA 3.45Å; Y112-L118 HydrophobicContact CD1-CB 3.95Å; Y112-L118 HydrophobicContact CD2-CB 3.81Å; Y112-L118 HydrophobicContact CD2-CD1 3.73Å; Y112-L118 HydrophobicContact CD2-CG 3.83Å; Y112-L118 HydrophobicContact CE1-CB 4.39Å; Y112-L118 HydrophobicContact CE2-CB 4.27Å; Y112-L118 HydrophobicContact CE2-CD1 4.1Å; Y112-L118 HydrophobicContact CE2-CG 3.95Å; Y112-L118 HydrophobicContact CG-CB 3.62Å; Y112-L118 HydrophobicContact CG-CD1 4.35Å; Y112-L118 HydrophobicContact CG-CG 4.17Å; Y112-D121 HydrophobicContact CE1-CB 3.63Å; Y112-D121 WeakPolarHBondContact CE1-OD2 3.31Å; Y112-V129 HydrophobicContact CE2-CG1 4.14Å
113Q92.9Very high91.5Very high70 Ų7042 Ų4233%0.32721%0.208SC..SBendtrans-57-34179.9175.6174.515.200113.1N99 Y101 A102 F117N99-Q113 PolarHBondContact O-NE2 3.45Å; Y101-Q113 HydrophobicContact CD2-CG 3.85Å; Y101-Q113 HydrophobicContact CE2-CG 4.37Å; A102-Q113 CarbonylContact C-O 3.59Å; A102-Q113 PolarHBondContact N-O 3.47Å; A102-Q113 VanDerWaalsContact O-O 3.13Å; Q113-F117 HydrophobicContact CB-CD2 3.79Å; Q113-F117 HydrophobicContact CB-CE2 4.13Å; Q113-F117 HydrophobicContact CG-CD2 4.22Å; Q113-F117 HydrophobicContact CG-CE2 4.12Å; Q113-F117 VanDerWaalsContact OE1-CE2 3.28Å
114N91.8Very high91.4Very high15 Ų1546.6 Ų46.68%0.0823%0.225CC..SBendtrans-161.5171.1170.557.752.2000110.8N98 D100 A102 Y112 C116 F117 L118N98-N114 PolarHBondContact O-ND2 2.98Å; D100-N114 PolarHBondContact O-ND2 2.93Å; A102-N114 HydrophobicContact CB-CB 4.44Å; A102-N114 VanDerWaalsContact O-CA 3.29Å; A102-N114 WeakPolarHBondContact O-CA 3.49Å; Y112-N114 PolarHBondContact O-N 3.3Å; N114-C116 PolarHBondContact O-N 2.03Å; N114-C116 VanDerWaalsContact OD1-CB 3.26Å; N114-C116 WeakPolarHBondContact OD1-CB 3.28Å; N114-C116 PolarHBondContact OD1-N 3.28Å; N114-C116 VanDerWaalsContact OD1-N 3.09Å; N114-F117 VanDerWaalsContact CG-CD2 3.46Å; N114-F117 WeakPolarHBondContact ND2-CE2 3.37Å; N114-F117 PolarHBondContact O-N 2.96Å; N114-F117 VanDerWaalsContact O-N 3.08Å; N114-F117 WeakPolarHBondContact OD1-CD2 3.42Å; N114-F117 PolarHBondContact OD1-N 3.35Å; N114-L118 PolarHBondContact O-N 2.67Å
115E91.8Very high91.2Very high87 Ų8751 Ų5141%0.40725%0.248SC..Hα-helixtrans-54.1-34.2178.7178.9175.1-172.800113.2F117 L118 R119 I131E115-F117 PolarHBondContact O-N 3.24Å; E115-L118 WeakPolarHBondContact O-CB 3.5Å; E115-L118 PolarHBondContact O-N 2.73Å; E115-R119 HydrophobicContact CG-CG 4.41Å; E115-R119 WeakPolarHBondContact O-CG 3.03Å; E115-R119 PolarHBondContact O-N 3.49Å; E115-R119 IonicContact OE1-CZ 2.96Å; E115-R119 IonicContact OE1-NE 3.55Å; E115-R119 PolarHBondContact OE1-NE 2.96Å; E115-R119 VanDerWaalsContact OE1-NE 3.08Å; E115-R119 IonicContact OE1-NH2 3.98Å; E115-R119 PolarHBondContact OE1-NH2 3.46Å; E115-I131 HydrophobicContact CB-CD1 4.27Å; E115-I131 HydrophobicContact CG-CD1 3.96Å
116C92.8Very high90.8Very high35 Ų3554.1 Ų54.124%0.23626%0.262CS..Hα-helixtrans-65-40.9178.8-177.30000111.9C97 N114 L118 R119 R120C97-C116 WeakPolarHBondContact CA-SG 3.34Å; C97-C116 HydrophobicContact CB-CB 3.66Å; C97-C116 WeakPolarHBondContact CB-SG 3.38Å; C97-C116 WeakPolarHBondContact SG-CB 2.94Å; C97-C116 CovalentContact SG-SG 2.04Å; C97-C116 PolarHBondContact SG-SG 2.95Å; N114-C116 PolarHBondContact O-N 2.03Å; N114-C116 VanDerWaalsContact OD1-CB 3.26Å; N114-C116 WeakPolarHBondContact OD1-CB 3.28Å; N114-C116 PolarHBondContact OD1-N 3.28Å; N114-C116 VanDerWaalsContact OD1-N 3.09Å; C116-L118 VanDerWaalsContact C-N 3.32Å; C116-R119 PolarHBondContact O-N 3.42Å; C116-R120 WeakPolarHBondContact O-CB 3.39Å; C116-R120 PolarHBondContact O-N 2.77Å
117F92.9Very high90.6Very high39 Ų3956.6 Ų56.617%0.17128%0.28CS..Hα-helixtrans-67.3-33.7174.9-70.4-76.4000112.4C97 Y112 Q113 N114 E115 R120 D121C97-F117 HydrophobicContact CB-CD2 4.31Å; C97-F117 HydrophobicContact CB-CE1 4.19Å; C97-F117 HydrophobicContact CB-CE2 3.93Å; C97-F117 HydrophobicContact CB-CZ 3.87Å; Y112-F117 HydrophobicContact CD1-CB 4.4Å; Q113-F117 HydrophobicContact CB-CD2 3.79Å; Q113-F117 HydrophobicContact CB-CE2 4.13Å; Q113-F117 HydrophobicContact CG-CD2 4.22Å; Q113-F117 HydrophobicContact CG-CE2 4.12Å; Q113-F117 VanDerWaalsContact OE1-CE2 3.28Å; N114-F117 VanDerWaalsContact CG-CD2 3.46Å; N114-F117 WeakPolarHBondContact ND2-CE2 3.37Å; N114-F117 PolarHBondContact O-N 2.96Å; N114-F117 VanDerWaalsContact O-N 3.08Å; N114-F117 WeakPolarHBondContact OD1-CD2 3.42Å; N114-F117 PolarHBondContact OD1-N 3.35Å; E115-F117 PolarHBondContact O-N 3.24Å; F117-R120 PolarHBondContact O-N 2.88Å; F117-D121 PolarHBondContact O-N 3.31Å; F117-D121 VanDerWaalsContact O-N 3.11Å
118L93.2Very high90.4Very high5 Ų560.2 Ų60.23%0.02629%0.291CS..Hα-helixtrans-63-50.4173.6-178.6157.3000111.2V104 Y112 N114 E115 C116 R120 D121 A122 V129 I131V104-L118 HydrophobicContact CG2-CB 4.2Å; V104-L118 HydrophobicContact CG2-CD1 3.71Å; Y112-L118 VanDerWaalsContact CD1-CA 3.45Å; Y112-L118 HydrophobicContact CD1-CB 3.95Å; Y112-L118 HydrophobicContact CD2-CB 3.81Å; Y112-L118 HydrophobicContact CD2-CD1 3.73Å; Y112-L118 HydrophobicContact CD2-CG 3.83Å; Y112-L118 HydrophobicContact CE1-CB 4.39Å; Y112-L118 HydrophobicContact CE2-CB 4.27Å; Y112-L118 HydrophobicContact CE2-CD1 4.1Å; Y112-L118 HydrophobicContact CE2-CG 3.95Å; Y112-L118 HydrophobicContact CG-CB 3.62Å; Y112-L118 HydrophobicContact CG-CD1 4.35Å; Y112-L118 HydrophobicContact CG-CG 4.17Å; N114-L118 PolarHBondContact O-N 2.67Å; E115-L118 WeakPolarHBondContact O-CB 3.5Å; E115-L118 PolarHBondContact O-N 2.73Å; C116-L118 VanDerWaalsContact C-N 3.32Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 2.91Å; L118-D121 PolarHBondContact O-N 2.89Å; L118-A122 PolarHBondContact O-N 3.48Å; L118-V129 HydrophobicContact CD1-CG1 4.2Å; L118-V129 HydrophobicContact CD2-CB 4.09Å; L118-V129 HydrophobicContact CD2-CG1 4.1Å; L118-V129 VanDerWaalsContact CD2-O 3.26Å; L118-V129 WeakPolarHBondContact CD2-O 3.39Å; L118-V129 HydrophobicContact CG-CB 4.37Å; L118-V129 HydrophobicContact CG-CG1 3.91Å; L118-I131 HydrophobicContact CD1-CG1 3.7Å
119R90.2Very high90.5Very high120 Ų12057.6 Ų57.645%0.45328%0.277SS..Hα-helixtrans-61.5-37.8177.4-68.2-179.8-175.2-159.4-3.9112.5F95 E115 C116 D121 A122 C123F95-R119 HydrophobicContact CE1-CB 4.27Å; E115-R119 HydrophobicContact CG-CG 4.41Å; E115-R119 WeakPolarHBondContact O-CG 3.03Å; E115-R119 PolarHBondContact O-N 3.49Å; E115-R119 IonicContact OE1-CZ 2.96Å; E115-R119 IonicContact OE1-NE 3.55Å; E115-R119 PolarHBondContact OE1-NE 2.96Å; E115-R119 VanDerWaalsContact OE1-NE 3.08Å; E115-R119 IonicContact OE1-NH2 3.98Å; E115-R119 PolarHBondContact OE1-NH2 3.46Å; C116-R119 PolarHBondContact O-N 3.42Å; R119-D121 PolarHBondContact O-N 3.11Å; R119-A122 WeakPolarHBondContact O-CB 3.26Å; R119-A122 PolarHBondContact O-N 3.43Å; R119-C123 PolarHBondContact O-N 2.93Å
120R91.5Very high90.6Very high56 Ų5658.6 Ų58.621%0.21128%0.282CS..Hα-helixtrans-60.6-44.5174.9-176.8-169-62.8175.9-2.7111.9C93 F95 C97 C116 F117 L118 C123 K124C93-R120 HydrophobicContact CB-CG 4.44Å; F95-R120 HydrophobicContact CB-CB 4.26Å; F95-R120 HydrophobicContact CB-CG 4.48Å; F95-R120 HydrophobicContact CD2-CB 3.69Å; F95-R120 HydrophobicContact CD2-CG 3.75Å; F95-R120 HydrophobicContact CE2-CB 4.29Å; F95-R120 HydrophobicContact CE2-CG 4.46Å; F95-R120 HydrophobicContact CG-CB 4.01Å; F95-R120 HydrophobicContact CG-CG 4.39Å; F95-R120 PolarHBondContact O-NH2 3.14Å; C97-R120 PolarHBondContact SG-NH2 2.8Å; C116-R120 WeakPolarHBondContact O-CB 3.39Å; C116-R120 PolarHBondContact O-N 2.77Å; F117-R120 PolarHBondContact O-N 2.88Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 2.91Å; R120-C123 WeakPolarHBondContact O-CB 3.47Å; R120-C123 PolarHBondContact O-N 3.45Å; R120-K124 WeakPolarHBondContact O-CG 3.25Å; R120-K124 PolarHBondContact O-N 3.44Å
121D91.7Very high90.6Very high29 Ų2957.3 Ų57.316%0.15528%0.279CS..Hα-helixtrans-70-37.8177.6-94.816.9000111.5K110 Y112 F117 L118 R119 C123 K124 L125K110-D121 IonicContact NZ-OD2 3.78Å; K110-D121 PolarHBondContact NZ-OD2 2.89Å; Y112-D121 HydrophobicContact CE1-CB 3.63Å; Y112-D121 WeakPolarHBondContact CE1-OD2 3.31Å; F117-D121 PolarHBondContact O-N 3.31Å; F117-D121 VanDerWaalsContact O-N 3.11Å; L118-D121 PolarHBondContact O-N 2.89Å; R119-D121 PolarHBondContact O-N 3.11Å; D121-C123 VanDerWaalsContact C-N 3.29Å; D121-C123 PolarHBondContact O-N 3.31Å; D121-K124 PolarHBondContact O-N 2.96Å; D121-K124 VanDerWaalsContact O-N 3.11Å; D121-K124 IonicContact OD1-NZ 2.73Å; D121-L125 WeakPolarHBondContact O-CB 3.43Å; D121-L125 WeakPolarHBondContact O-CG 3.03Å; D121-L125 PolarHBondContact O-N 3.27Å
122A92.1Very high90.5Very high3 Ų359.2 Ų59.23%0.02529%0.287CS..Hα-helixtrans-56.8-42.7171.300000111.8F78 L118 R119 L125 Q126 S127 V129F78-A122 HydrophobicContact CB-CB 4.35Å; F78-A122 HydrophobicContact CD1-CB 4.43Å; F78-A122 HydrophobicContact CD2-CB 4.35Å; F78-A122 HydrophobicContact CG-CB 4.1Å; L118-A122 PolarHBondContact O-N 3.48Å; R119-A122 WeakPolarHBondContact O-CB 3.26Å; R119-A122 PolarHBondContact O-N 3.43Å; A122-L125 PolarHBondContact O-N 3.37Å; A122-Q126 WeakPolarHBondContact O-CA 3.15Å; A122-Q126 PolarHBondContact O-N 2.88Å; A122-S127 WeakPolarHBondContact CA-O 3.35Å; A122-S127 WeakPolarHBondContact CB-O 3.49Å; A122-S127 PolarHBondContact O-N 3.3Å; A122-V129 HydrophobicContact CB-CB 4.12Å; A122-V129 HydrophobicContact CB-CG2 4.01Å
123C91.4Very high90.2Very high0 Ų061.5 Ų61.50%031%0.305CS..Hα-helixtrans-61.5-45.5172.6175.50000112.2F78 G80 C93 F95 R119 R120 D121 L125 Q126F78-C123 HydrophobicContact CB-CB 4.27Å; F78-C123 WeakPolarHBondContact O-CB 3.44Å; G80-C123 WeakPolarHBondContact CA-SG 3.43Å; C93-C123 VanDerWaalsContact CA-SG 3.58Å; C93-C123 HydrophobicContact CB-CB 3.71Å; C93-C123 WeakPolarHBondContact CB-SG 3.49Å; C93-C123 WeakPolarHBondContact SG-CB 3.26Å; C93-C123 PolarHBondContact SG-O 3.5Å; C93-C123 CovalentContact SG-SG 2.04Å; C93-C123 PolarHBondContact SG-SG 3.39Å; F95-C123 HydrophobicContact CE2-CB 3.73Å; F95-C123 HydrophobicContact CZ-CB 4.04Å; R119-C123 PolarHBondContact O-N 2.93Å; R120-C123 WeakPolarHBondContact O-CB 3.47Å; R120-C123 PolarHBondContact O-N 3.45Å; D121-C123 VanDerWaalsContact C-N 3.29Å; D121-C123 PolarHBondContact O-N 3.31Å; C123-L125 VanDerWaalsContact C-N 3.31Å; C123-L125 PolarHBondContact O-N 2.92Å; C123-Q126 PolarHBondContact O-N 2.95Å; C123-Q126 PolarHBondContact O-NE2 2.97Å
124K88.9Confident90Very high126 Ų12666.6 Ų66.655%0.54833%0.328SS..Hα-helixtrans-65.3-37.3-179.3-71.9173.2-174.41670112.6C93 R120 D121 Q126C93-K124 HydrophobicContact CB-CG 3.94Å; C93-K124 PolarHBondContact SG-N 3.43Å; R120-K124 WeakPolarHBondContact O-CG 3.25Å; R120-K124 PolarHBondContact O-N 3.44Å; D121-K124 PolarHBondContact O-N 2.96Å; D121-K124 VanDerWaalsContact O-N 3.11Å; D121-K124 IonicContact OD1-NZ 2.73Å; K124-Q126 VanDerWaalsContact C-N 3.28Å
125L88.7Confident89.7Confident105 Ų10567 Ų6755%0.5534%0.336SS..Hα-helixtrans-80.6-13.6178.8-64.6171.5000112.3D121 A122 C123 S127D121-L125 WeakPolarHBondContact O-CB 3.43Å; D121-L125 WeakPolarHBondContact O-CG 3.03Å; D121-L125 PolarHBondContact O-N 3.27Å; A122-L125 PolarHBondContact O-N 3.37Å; C123-L125 VanDerWaalsContact C-N 3.31Å; C123-L125 PolarHBondContact O-N 2.92Å; L125-S127 VanDerWaalsContact CB-OG 3.22Å; L125-S127 WeakPolarHBondContact CB-OG 3.4Å; L125-S127 PolarHBondContact O-N 3.26Å
126Q85.4Confident89.5Confident67 Ų6767 Ų6731%0.31334%0.339SS..THydrogen-bonded Turntrans50.533.7-170-70-67-62.200111.9K77 A122 C123 K124K77-Q126 PolarHBondContact O-NE2 3.36Å; K77-Q126 VanDerWaalsContact O-NE2 3.09Å; A122-Q126 WeakPolarHBondContact O-CA 3.15Å; A122-Q126 PolarHBondContact O-N 2.88Å; C123-Q126 PolarHBondContact O-N 2.95Å; C123-Q126 PolarHBondContact O-NE2 2.97Å; K124-Q126 VanDerWaalsContact C-N 3.28Å
127S86.8Confident89.3Confident53 Ų5365.9 Ų65.937%0.37133%0.331SS..SBendtrans-133.8141.7-177.367.70000110.2A122 L125 V129A122-S127 WeakPolarHBondContact CA-O 3.35Å; A122-S127 WeakPolarHBondContact CB-O 3.49Å; A122-S127 PolarHBondContact O-N 3.3Å; L125-S127 VanDerWaalsContact CB-OG 3.22Å; L125-S127 WeakPolarHBondContact CB-OG 3.4Å; L125-S127 PolarHBondContact O-N 3.26Å; S127-V129 PolarHBondContact O-N 2.84Å
128E85.6Confident88.8Confident130 Ų13068.6 Ų68.661%0.60735%0.353SS*.  trans-68.1124.4179.5-168.2165.2-148.400110.8F78 L130F78-E128 HydrophobicContact CE1-CB 3.77Å; F78-E128 HydrophobicContact CE1-CG 3.87Å; F78-E128 HydrophobicContact CZ-CB 3.57Å; F78-E128 HydrophobicContact CZ-CG 4.21Å; E128-L130 HydrophobicContact CG-CD2 3.83Å; E128-L130 HydrophobicContact CG-CG 4.12Å
129V90.4Very high87.8Confident13 Ų1372.9 Ų72.98%0.07939%0.389CS..  trans-115.8117.1170.2-174.70000106S107 Y112 L118 A122 S127S107-V129 WeakPolarHBondContact OG-CA 3.39Å; Y112-V129 HydrophobicContact CE2-CG1 4.14Å; L118-V129 HydrophobicContact CD1-CG1 4.2Å; L118-V129 HydrophobicContact CD2-CB 4.09Å; L118-V129 HydrophobicContact CD2-CG1 4.1Å; L118-V129 VanDerWaalsContact CD2-O 3.26Å; L118-V129 WeakPolarHBondContact CD2-O 3.39Å; L118-V129 HydrophobicContact CG-CB 4.37Å; L118-V129 HydrophobicContact CG-CG1 3.91Å; A122-V129 HydrophobicContact CB-CB 4.12Å; A122-V129 HydrophobicContact CB-CG2 4.01Å; S127-V129 PolarHBondContact O-N 2.84Å
130L89.8Confident86.6Confident98 Ų9873.2 Ų73.251%0.51340%0.399SS..  trans-96.7154178.9-61.6175.9000109.5G106 S107 E128 M132G106-L130 CarbonylContact C-O 3.47Å; G106-L130 WeakPolarHBondContact CA-O 3.05Å; S107-L130 PolarHBondContact N-O 2.95Å; S107-L130 PolarHBondContact OG-N 3.1Å; E128-L130 HydrophobicContact CG-CD2 3.83Å; E128-L130 HydrophobicContact CG-CG 4.12Å; L130-M132 PolarHBondContact O-N 2.7Å
131I91.4Very high85Confident71 Ų7176.2 Ų76.236%0.36444%0.436SS..EExtended strand (participates in β ladder)trans-77.7116.9171-63.8165.6000107.6V104 E115 L118V104-I131 HydrophobicContact CB-CG1 4.3Å; V104-I131 HydrophobicContact CB-CG2 4.15Å; V104-I131 HydrophobicContact CG1-CD1 4.32Å; V104-I131 HydrophobicContact CG1-CG2 4.34Å; V104-I131 HydrophobicContact CG2-CG1 4.38Å; E115-I131 HydrophobicContact CB-CD1 4.27Å; E115-I131 HydrophobicContact CG-CD1 3.96Å; L118-I131 HydrophobicContact CD1-CG1 3.7Å
132M88Confident83.5Confident111 Ų11177.8 Ų77.855%0.54746%0.459SS..EExtended strand (participates in β ladder)trans-84.7-39174.2-75.9-175.47200112.1C105 S107 L130C105-M132 PolarHBondContact O-N 3.33Å; S107-M132 VanDerWaalsContact CA-SD 3.55Å; L130-M132 PolarHBondContact O-N 2.7Å
133S87.5Confident81.5Confident59 Ų5983.4 Ų83.441%0.41350%0.498SS..EExtended strand (participates in β ladder)trans-149145.4179.5-173.20000110.3C105C105-S133 PolarHBondContact N-O 2.95Å
134E88Confident79.8Confident177 Ų17787 Ų8783%0.82754%0.536SS*.EExtended strand (participates in β ladder)trans-67.9136.7159.2-64.8177.8-174.300107.9
135G86.6Confident77.9Confident23 Ų2386.9 Ų86.924%0.23755%0.551CS.*SBendtrans96.5-175.6-172.500000114.5P103 V104 C105P103-G135 WeakPolarHBondContact O-CA 3.33Å; P103-G135 PolarHBondContact O-N 3.41Å; V104-G135 CarbonylContact C-O 2.99Å; V104-G135 VanDerWaalsContact CA-O 3.3Å; V104-G135 WeakPolarHBondContact CA-O 3.41Å; C105-G135 PolarHBondContact N-O 3.3Å
136D86.4Confident76.3Confident87 Ų8785 Ų8547%0.46556%0.557SS.*SBendtrans-70.9147.1177.2-77.9-48.4000111.5N111N111-D136 WeakPolarHBondContact ND2-CA 3.04Å; N111-D136 WeakPolarHBondContact ND2-CB 3.02Å; N111-D136 VanDerWaalsContact ND2-CG 3.27Å; N111-D136 PolarHBondContact ND2-OD1 3.24Å
137C87.9Confident74.8Confident11 Ų1189.4 Ų89.47%0.07458%0.582CS.*PPolyproline II helixtrans-58.3144173.9-66.60000110.3C105 K110 N111 A139C105-C137 WeakPolarHBondContact CA-SG 3.45Å; C105-C137 HydrophobicContact CB-CB 3.95Å; C105-C137 WeakPolarHBondContact CB-SG 3.27Å; C105-C137 WeakPolarHBondContact SG-CA 3.28Å; C105-C137 WeakPolarHBondContact SG-CB 3.32Å; C105-C137 CovalentContact SG-SG 2.04Å; C105-C137 PolarHBondContact SG-SG 3.32Å; K110-C137 VanDerWaalsContact C-SG 3.53Å; N111-C137 PolarHBondContact ND2-N 2.95Å; N111-C137 WeakPolarHBondContact OD1-CB 3.37Å; C137-A139 PolarHBondContact O-N 3.33Å
138P82.4Confident73.1Confident97 Ų9795 Ų9563%0.6361%0.608SS**PPolyproline II helixtrans-55.9117.2176.523.2-31.7000108D140P138-D140 PolarHBondContact O-N 2.04Å
139A74Confident72Confident95 Ų9592.4 Ų92.479%0.78562%0.616SS**  trans-61.1115.2174.900000107C137 A141C137-A139 PolarHBondContact O-N 3.33Å; A139-A141 PolarHBondContact O-N 3.43Å
140D64.4Low70Confident126 Ų12695.5 Ų95.567%0.67465%0.65SS**  trans-46130.2166.4-69.7-43.4000107.2P138 G142P138-D140 PolarHBondContact O-N 2.04Å; D140-G142 PolarHBondContact O-N 3.09Å
141A58.4Low68.7Low119 Ų119100.8 Ų100.898%0.98367%0.673SS**SBendtrans-67.956.5-178.600000112A139A139-A141 PolarHBondContact O-N 3.43Å
142G59.8Low66.5Low62 Ų62101 Ų10164%0.63969%0.692SS**  trans-171.946.4-161.400000114.8D140D140-G142 PolarHBondContact O-N 3.09Å
143S50.5Low65.1Low121 Ų121101.9 Ų101.985%0.84671%0.709SS**  trans-169.1103.1143.2-93.30000110.9
144G54.1Low63.1Low76 Ų76103.1 Ų103.178%0.78472%0.723SS**  trans-70.2134.9167.200000111.3
145S50.5Low61.1Low123 Ų123103.7 Ų103.786%0.8673%0.726SS**  trans-159.5113.6141.1-75.50000106.4
146G53.8Low59.4Low66 Ų66109.3 Ų109.368%0.6876%0.756SS**  trans-66.4-174.3175.300000112.1
147D54.3Low57.4Low159 Ų159108.3 Ų108.385%0.8577%0.766SS**  cis-150.91472-64.5-55.3000104.5
148D52.3Low55.5Low172 Ų172116.1 Ų116.192%0.9280%0.801SS**  171.3153.9119.8-129.9-75.9000111.5
149G61.6Low53.8Low75 Ų75120.3 Ų120.377%0.77381%0.809SS**  trans-79.2158.8-151.600000118.2
150G49.1Very low52.7Low77 Ų77124.3 Ų124.379%0.79481%0.812SS**  trans-171.183.417300000111.2
151E60.9Low52Low210 Ų210123.2 Ų123.298%0.98181%0.81SS**  trans-56.9131.7166.7-88.5172132.400111.3
152G46.7Very low51.7Low74 Ų74120.8 Ų120.876%0.76379%0.786SS**  trans-175.882.7171.800000110.8
153S57.9Low51.6Low130 Ų130122.1 Ų122.191%0.90978%0.782SS**  trans-60129.6165.4-60.30000110.6
154A45.8Very low52Low86 Ų86118.2 Ų118.271%0.71175%0.754SS**  trans-171.4121.8136.900000111.3
155E44.9Very low52.3Low188 Ų188120.3 Ų120.388%0.87975%0.747SS**  trans66.591.3144.6-60-175.2155.800117.4G157E155-G157 PolarHBondContact O-N 2.03Å
156T51.6Low53Low141 Ų141120.3 Ų120.387%0.86574%0.736SS**  trans-51.282.114741.20000110.7Q158T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 2.72Å
157G44.4Very low53.9Low66 Ų66118.7 Ų118.768%0.6871%0.714SS**  trans-76.388152.800000107.3E155 K159E155-G157 PolarHBondContact O-N 2.03Å; G157-K159 PolarHBondContact O-N 3.05Å
158Q48.4Very low54.8Low175 Ų175115.5 Ų115.582%0.81869%0.694SS**  trans-62.485.5159.4-72.3179.8-1900106.6T156 E160T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 2.72Å; Q158-E160 VanDerWaalsContact C-N 3.29Å; Q158-E160 PolarHBondContact O-N 2.62Å; Q158-E160 VanDerWaalsContact O-N 3.13Å
159K45.8Very low56.1Low185 Ų185110.2 Ų110.280%0.80466%0.663SS**  trans-70.9102.3157.4-160.5177.3-174.8-173.90103.1G157 T161G157-K159 PolarHBondContact O-N 3.05Å; K159-T161 PolarHBondContact O-N 3Å
160E50.6Low56.4Low179 Ų179109.7 Ų109.784%0.83666%0.657SS**  trans-54.289.8165.9-65.9176.4168.100106.4Q158 S162Q158-E160 VanDerWaalsContact C-N 3.29Å; Q158-E160 PolarHBondContact O-N 2.62Å; Q158-E160 VanDerWaalsContact O-N 3.13Å; E160-S162 PolarHBondContact O-N 2.72Å; E160-S162 VanDerWaalsContact O-N 3.14Å
161T50.2Low57.8Low103 Ų103106.9 Ų106.963%0.63263%0.627SS**  trans-64.1111.3162.450.90000103.4K159 T163K159-T161 PolarHBondContact O-N 3Å; T161-T163 PolarHBondContact O-N 3.38Å; T161-T163 VanDerWaalsContact O-N 3.09Å
162S52.6Low58.5Low68 Ų68103.5 Ų103.548%0.47661%0.611SS.*  trans-42.7124.8172.128.10000107.8E160 C164 D165E160-S162 PolarHBondContact O-N 2.72Å; E160-S162 VanDerWaalsContact O-N 3.14Å; S162-C164 PolarHBondContact O-N 2.97Å; S162-D165 PolarHBondContact O-N 3.35Å; S162-D165 VanDerWaalsContact O-N 3.15Å; S162-D165 PolarHBondContact OG-OD2 3.35Å
163T57.8Low59.9Low90 Ų90101.5 Ų101.555%0.55259%0.585SS**THydrogen-bonded Turntrans-58.13-175.5-47.60000113.2T161 W181T161-T163 PolarHBondContact O-N 3.38Å; T161-T163 VanDerWaalsContact O-N 3.09Å; T163-W181 VanDerWaalsContact C-CD2 3.48Å; T163-W181 VanDerWaalsContact CB-CE3 3.42Å; T163-W181 VanDerWaalsContact CB-CH2 3.49Å; T163-W181 HydrophobicContact CG2-CD2 3.69Å; T163-W181 HydrophobicContact CG2-CE3 3.19Å; T163-W181 HydrophobicContact CG2-CG 4.38Å; T163-W181 HydrophobicContact CG2-CH2 4.26Å; T163-W181 HydrophobicContact CG2-CZ3 3.55Å; T163-W181 VanDerWaalsContact O-CD1 3.22Å; T163-W181 VanDerWaalsContact O-CG 3.24Å; T163-W181 PolarHBondContact O-NE1 2.84Å
164C57.7Low60.7Low40 Ų4098.5 Ų98.527%0.2756%0.559SS.*THydrogen-bonded Turntrans-84.8-18.5177.3-154.10000117.7S162 I166 C173 W181S162-C164 PolarHBondContact O-N 2.97Å; C164-I166 PolarHBondContact O-N 3.49Å; C164-I166 VanDerWaalsContact O-N 3.11Å; C164-C173 HydrophobicContact CB-CB 4.18Å; C164-C173 WeakPolarHBondContact CB-SG 3.41Å; C164-C173 WeakPolarHBondContact SG-CB 3.26Å; C164-C173 CovalentContact SG-SG 2Å; C164-C173 PolarHBondContact SG-SG 2.78Å; C164-W181 VanDerWaalsContact CA-CZ2 3.43Å; C164-W181 HydrophobicContact CB-CZ2 3.39Å
165D60.7Low61.6Low119 Ų11998.7 Ų98.764%0.63655%0.551SS**THydrogen-bonded Turntrans-82.19.8-168.5-64.6-43.7000113.7S162S162-D165 PolarHBondContact O-N 3.35Å; S162-D165 VanDerWaalsContact O-N 3.15Å; S162-D165 PolarHBondContact OG-OD2 3.35Å
166I66.9Low62.7Low124 Ų12496.5 Ų96.564%0.63655%0.545SS*.THydrogen-bonded Turntrans-1141.4-171.5-43.8174.8000112.9C164 Q168 Q218C164-I166 PolarHBondContact O-N 3.49Å; C164-I166 VanDerWaalsContact O-N 3.11Å; I166-Q168 PolarHBondContact O-N 3.13Å; I166-Q218 PolarHBondContact O-OE1 2.97Å
167C72Confident63.4Low31 Ų3191.3 Ų91.321%0.20952%0.517CS..  trans-81.2117.7178-58.60000112A171 C182C167-A171 HydrophobicContact CB-CB 3.97Å; C167-C182 WeakPolarHBondContact CA-SG 3.45Å; C167-C182 HydrophobicContact CB-CB 3.95Å; C167-C182 WeakPolarHBondContact CB-SG 3.37Å; C167-C182 WeakPolarHBondContact SG-CA 3.2Å; C167-C182 WeakPolarHBondContact SG-CB 3.24Å; C167-C182 CovalentContact SG-SG 2.05Å; C167-C182 PolarHBondContact SG-SG 2.02Å
168Q73.8Confident64.3Low92 Ų9297.2 Ų97.243%0.4353%0.527SS..  trans-116.1174178.3-61.2-174.732.800111.4I166 G170 A171 Q218I166-Q168 PolarHBondContact O-N 3.13Å; Q168-G170 VanDerWaalsContact C-N 3.3Å; Q168-G170 PolarHBondContact O-N 3.47Å; Q168-A171 PolarHBondContact O-N 3.39Å; Q168-Q218 PolarHBondContact O-NE2 2.75Å; Q168-Q218 PolarHBondContact O-OE1 2.97Å
169F78.4Confident64.8Low62 Ų6296.5 Ų96.527%0.27253%0.528SS..THydrogen-bonded Turntrans59.729.5170.9-46.7-69.1000116.2R220F169-R220 HydrophobicContact CE1-CB 3.75Å; F169-R220 HydrophobicContact CE1-CG 4.21Å; F169-R220 HydrophobicContact CZ-CB 3.77Å
170G67.8Low65.6Low63 Ų6392.3 Ų92.365%0.64952%0.518SS*.THydrogen-bonded Turntrans92.113.9174.600000114.9Q168Q168-G170 VanDerWaalsContact C-N 3.3Å; Q168-G170 PolarHBondContact O-N 3.47Å
171A78.1Confident66.5Low19 Ų1986.8 Ų86.816%0.15749%0.49CS..PPolyproline II helixtrans-77.3139.9170.200000111.8C167 Q168 C182 V183 C215C167-A171 HydrophobicContact CB-CB 3.97Å; Q168-A171 PolarHBondContact O-N 3.39Å; A171-C182 HydrophobicContact CB-CB 3.85Å; A171-V183 WeakPolarHBondContact CA-O 3.14Å; A171-C215 VanDerWaalsContact CA-SG 3.55Å; A171-C215 PolarHBondContact N-SG 3.47Å; A171-C215 VanDerWaalsContact N-SG 3.42Å
172E76.6Confident67.9Low138 Ų13883.4 Ų83.465%0.64547%0.47SS*.EExtended strand (participates in β ladder)trans-95.9137.9170.3-174.5167.1-166.500109V183E172-V183 PolarHBondContact N-O 2.89Å; E172-V183 PolarHBondContact O-N 2.95Å
173C75.6Confident69.4Low33 Ų3383.1 Ų83.122%0.22347%0.465CS..EExtended strand (participates in β ladder)trans-84123.5179.7146.10000109.4C164 W181C164-C173 HydrophobicContact CB-CB 4.18Å; C164-C173 WeakPolarHBondContact CB-SG 3.41Å; C164-C173 WeakPolarHBondContact SG-CB 3.26Å; C164-C173 CovalentContact SG-SG 2Å; C164-C173 PolarHBondContact SG-SG 2.78Å; C173-W181 WeakPolarHBondContact CA-O 3.37Å; C173-W181 VanDerWaalsContact SG-CE2 3.56Å; C173-W181 PolarHBondContact SG-NE1 2.84Å
174D74.5Confident70.8Confident67 Ų6780.5 Ų80.536%0.35845%0.45SS..  trans-107.2105.1172.1-168.8-7.8000109.1D176 A177 W181 V183D174-D176 PolarHBondContact O-N 3.04Å; D174-D176 PolarHBondContact OD1-N 3.41Å; D174-D176 VanDerWaalsContact OD1-N 3.1Å; D174-A177 HydrophobicContact CB-CB 4.33Å; D174-A177 PolarHBondContact O-N 3.09Å; D174-W181 PolarHBondContact N-O 3.37Å; D174-V183 HydrophobicContact CB-CG2 3.65Å
175V65.1Low72Confident90 Ų9085.5 Ų85.555%0.54547%0.474SS..THydrogen-bonded Turntrans-69.5-14.8-178.5-67.30000113W181V175-W181 HydrophobicContact CB-CH2 4.4Å; V175-W181 HydrophobicContact CB-CZ2 4.45Å; V175-W181 HydrophobicContact CG1-CH2 4.05Å; V175-W181 HydrophobicContact CG1-CZ2 3.75Å
176D68.6Low73.1Confident141 Ų14182 Ų8275%0.75446%0.455SS*.THydrogen-bonded Turntrans-95.8-1.9-177.6-63.6-42.1000112.4D174D174-D176 PolarHBondContact O-N 3.04Å; D174-D176 PolarHBondContact OD1-N 3.41Å; D174-D176 VanDerWaalsContact OD1-N 3.1Å
177A66.2Low74Confident32 Ų3281.1 Ų81.126%0.26445%0.452SS..  trans-81.2118.617800000111.4D174 D179 V180D174-A177 HydrophobicContact CB-CB 4.33Å; D174-A177 PolarHBondContact O-N 3.09Å; A177-D179 VanDerWaalsContact C-N 3.33Å; A177-D179 PolarHBondContact O-N 3.28Å; A177-V180 WeakPolarHBondContact CB-O 3.27Å
178E62.6Low74.8Confident191 Ų19180.4 Ų80.489%0.89345%0.446SS*.SBendtrans-69.6-25.5-175.5-64.6179.6154.300113.5
179D59.7Low75.2Confident159 Ų15980.9 Ų80.985%0.8546%0.46SS*.SBendtrans-128.6-19.2-172.1-71.9-44.1000115.7A177A177-D179 VanDerWaalsContact C-N 3.33Å; A177-D179 PolarHBondContact O-N 3.28Å
180V61.6Low75.1Confident97 Ų9786.6 Ų86.659%0.58849%0.487SS*.  trans-140.8109.3-176-176.90000110.8A177A177-V180 WeakPolarHBondContact CB-O 3.27Å
181W69.7Low75.6Confident64 Ų6487.3 Ų87.324%0.24248%0.475CS..  trans-77.4-32.7-170-167.6-71.1000114.4T163 C164 C173 D174 V175T163-W181 VanDerWaalsContact C-CD2 3.48Å; T163-W181 VanDerWaalsContact CB-CE3 3.42Å; T163-W181 VanDerWaalsContact CB-CH2 3.49Å; T163-W181 HydrophobicContact CG2-CD2 3.69Å; T163-W181 HydrophobicContact CG2-CE3 3.19Å; T163-W181 HydrophobicContact CG2-CG 4.38Å; T163-W181 HydrophobicContact CG2-CH2 4.26Å; T163-W181 HydrophobicContact CG2-CZ3 3.55Å; T163-W181 VanDerWaalsContact O-CD1 3.22Å; T163-W181 VanDerWaalsContact O-CG 3.24Å; T163-W181 PolarHBondContact O-NE1 2.84Å; C164-W181 VanDerWaalsContact CA-CZ2 3.43Å; C164-W181 HydrophobicContact CB-CZ2 3.39Å; C173-W181 WeakPolarHBondContact CA-O 3.37Å; C173-W181 VanDerWaalsContact SG-CE2 3.56Å; C173-W181 PolarHBondContact SG-NE1 2.84Å; D174-W181 PolarHBondContact N-O 3.37Å; V175-W181 HydrophobicContact CB-CH2 4.4Å; V175-W181 HydrophobicContact CB-CZ2 4.45Å; V175-W181 HydrophobicContact CG1-CH2 4.05Å; V175-W181 HydrophobicContact CG1-CZ2 3.75Å
182C80.9Confident75.7Confident31 Ų3191 Ų9121%0.20950%0.5CS..EExtended strand (participates in β ladder)trans-104.9116-174.9-59.80000111.5C167 A171C167-C182 WeakPolarHBondContact CA-SG 3.45Å; C167-C182 HydrophobicContact CB-CB 3.95Å; C167-C182 WeakPolarHBondContact CB-SG 3.37Å; C167-C182 WeakPolarHBondContact SG-CA 3.2Å; C167-C182 WeakPolarHBondContact SG-CB 3.24Å; C167-C182 CovalentContact SG-SG 2.05Å; C167-C182 PolarHBondContact SG-SG 2.02Å; A171-C182 HydrophobicContact CB-CB 3.85Å
183V84.1Confident76Confident62 Ų6290.8 Ų90.838%0.37650%0.497SS..EExtended strand (participates in β ladder)trans-104.7127.2-178.4-177.40000110.4A171 E172 D174A171-V183 WeakPolarHBondContact CA-O 3.14Å; E172-V183 PolarHBondContact N-O 2.89Å; E172-V183 PolarHBondContact O-N 2.95Å; D174-V183 HydrophobicContact CB-CG2 3.65Å
184C86.4Confident76.4Confident36 Ų3692.6 Ų92.624%0.24351%0.505CS..  trans-101.4107.6179.6-66.60000111C215 Q216C184-C215 VanDerWaalsContact CA-SG 3.56Å; C184-C215 HydrophobicContact CB-CB 3.92Å; C184-C215 WeakPolarHBondContact CB-SG 3.37Å; C184-C215 WeakPolarHBondContact SG-CB 3.06Å; C184-C215 PolarHBondContact SG-O 2.89Å; C184-C215 CovalentContact SG-SG 2.03Å; C184-C215 PolarHBondContact SG-SG 3.44Å; C184-Q216 HydrophobicContact CB-CG 4.27Å; C184-Q216 PolarHBondContact SG-N 3.45Å; C184-Q216 VanDerWaalsContact SG-N 3.42Å
185N82.5Confident77Confident145 Ų14590.9 Ų90.978%0.77550%0.497SS*.  trans-103.166.5178.5-160.225.8000111.2
186I84.9Confident78.2Confident46 Ų4686.6 Ų86.624%0.23647%0.471CS..  trans-114.9115.9-177.6-62.2170.1000108.7E212 C215I186-E212 HydrophobicContact CB-CB 4.31Å; I186-E212 HydrophobicContact CB-CG 4.41Å; I186-E212 HydrophobicContact CG2-CB 4.02Å; I186-C215 HydrophobicContact CD1-CB 3.73Å
187D86Confident79.3Confident105 Ų10580.1 Ų80.156%0.56144%0.437SS*.  trans-102.3114.4175.9-178.28.9000111.1S189D187-S189 WeakPolarHBondContact OD1-CB 2.97Å; D187-S189 PolarHBondContact OD1-N 3.15Å; D187-S189 PolarHBondContact OD1-OG 3.1Å
188C86.9Confident80.4Confident15 Ų1578.6 Ų78.610%0.10142%0.424CS..  trans-101.75.8179.1-57.50000114H190 I191 C208 Q209C188-H190 VanDerWaalsContact C-N 3.29Å; C188-H190 PolarHBondContact O-N 2.02Å; C188-I191 PolarHBondContact O-N 2.87Å; C188-C208 WeakPolarHBondContact CA-SG 3.09Å; C188-C208 HydrophobicContact CB-CB 3.83Å; C188-C208 WeakPolarHBondContact CB-SG 3.39Å; C188-C208 WeakPolarHBondContact SG-CB 3.46Å; C188-C208 PolarHBondContact SG-O 2.92Å; C188-C208 CovalentContact SG-SG 2.05Å; C188-C208 PolarHBondContact SG-SG 3.3Å; C188-Q209 HydrophobicContact CB-CG 4.47Å
189S82.3Confident81.6Confident102 Ų10272.7 Ų72.771%0.71340%0.404SS*.THydrogen-bonded Turntrans-66.7-25.3-170.6-51.70000114.4D187D187-S189 WeakPolarHBondContact OD1-CB 2.97Å; D187-S189 PolarHBondContact OD1-N 3.15Å; D187-S189 PolarHBondContact OD1-OG 3.1Å
190H77.4Confident82.9Confident182 Ų18267.6 Ų67.684%0.84338%0.377SS*.THydrogen-bonded Turntrans-99.611.1-177.2-72.3-72.7000114.2C188C188-H190 VanDerWaalsContact C-N 3.29Å; C188-H190 PolarHBondContact O-N 2.02Å
191I78.4Confident84.1Confident79 Ų7965.4 Ų65.441%0.40537%0.373SS..SBendtrans-102.3138.7-173.5-62.7172.1000110.2C188 N206 C208C188-I191 PolarHBondContact O-N 2.87Å; I191-N206 HydrophobicContact CG2-CB 4.05Å; I191-C208 HydrophobicContact CD1-CB 3.24Å; I191-C208 WeakPolarHBondContact CD1-SG 3.46Å
192S79.1Confident85Confident96 Ų9669.9 Ų69.967%0.67139%0.39SS*.  trans-67.3145.4-178.252.40000112.3N194S192-N194 PolarHBondContact O-N 2.77Å; S192-N194 VanDerWaalsContact O-N 3.16Å
193F83.9Confident85.5Confident133 Ų13369.7 Ų69.758%0.58339%0.389SS*.  trans-62.2113.7173.9-174.8-92.6000110P195 D205F193-P195 HydrophobicContact CE1-CB 4.34Å; F193-P195 HydrophobicContact CE1-CG 3.89Å; F193-P195 HydrophobicContact CZ-CB 4.3Å; F193-P195 HydrophobicContact CZ-CG 4.32Å; F193-D205 HydrophobicContact CD2-CB 3.82Å; F193-D205 HydrophobicContact CE2-CB 3.8Å; F193-D205 WeakPolarHBondContact CE2-OD1 3.29Å
194N83.8Confident85.7Confident72 Ų7267.4 Ų67.439%0.38537%0.374SS..  trans-145.787.5177.3-177.615.8000108.3S192 V196 D205 N206S192-N194 PolarHBondContact O-N 2.77Å; S192-N194 VanDerWaalsContact O-N 3.16Å; N194-V196 PolarHBondContact O-N 3.49Å; N194-D205 CarbonylContact C-O 3.33Å; N194-D205 PolarHBondContact N-O 2.94Å; N194-N206 WeakPolarHBondContact O-CA 3.34Å
195P86.9Confident85.7Confident31 Ų3168.8 Ų68.820%0.20138%0.379CS..  trans-65.1139.6-167.926.1-33.6000110.8F193 Y204 G227 R228F193-P195 HydrophobicContact CE1-CB 4.34Å; F193-P195 HydrophobicContact CE1-CG 3.89Å; F193-P195 HydrophobicContact CZ-CB 4.3Å; F193-P195 HydrophobicContact CZ-CG 4.32Å; P195-Y204 CarbonylContact C-O 3.57Å; P195-Y204 WeakPolarHBondContact CA-O 3.46Å; P195-G227 WeakPolarHBondContact O-CA 3.29Å; P195-G227 PolarHBondContact O-N 2.65Å; P195-R228 HydrophobicContact CB-CG 4.2Å
196V89.7Confident86Confident0 Ų062.2 Ų62.20%034%0.344CS..EExtended strand (participates in β ladder)trans-135.4148.4-179.3-64.50000111.2N194 S203 Y204 P207 V210 V223 L226 G227N194-V196 PolarHBondContact O-N 3.49Å; V196-S203 CarbonylContact O-C 3.08Å; V196-S203 WeakPolarHBondContact O-CA 3.44Å; V196-Y204 PolarHBondContact N-O 3.2Å; V196-Y204 PolarHBondContact O-N 3.4Å; V196-P207 HydrophobicContact CG1-CG 3.99Å; V196-V210 HydrophobicContact CG2-CG2 3.48Å; V196-V210 VanDerWaalsContact CG2-CG2 3.48Å; V196-V223 HydrophobicContact CB-CG1 3.9Å; V196-V223 HydrophobicContact CB-CG2 4.16Å; V196-V223 HydrophobicContact CG1-CG1 4.06Å; V196-V223 HydrophobicContact CG1-CG2 4.43Å; V196-V223 HydrophobicContact CG2-CG2 3.98Å; V196-L226 HydrophobicContact CG1-CD2 3.84Å; V196-G227 CarbonylContact C-O 3.58Å; V196-G227 VanDerWaalsContact CA-O 3.29Å; V196-G227 WeakPolarHBondContact CA-O 3.44Å
197C91.6Very high86.1Confident4 Ų462.5 Ų62.53%0.02735%0.348CS..EExtended strand (participates in β ladder)trans-99.5120173.1-1790000107.3K224 Y225 G227 C229C197-K224 WeakPolarHBondContact O-CA 3.47Å; C197-K224 WeakPolarHBondContact O-CB 3.3Å; C197-K224 PolarHBondContact O-N 3.22Å; C197-Y225 HydrophobicContact CB-CD1 4.15Å; C197-Y225 HydrophobicContact CB-CD2 3.81Å; C197-Y225 HydrophobicContact CB-CE1 3.81Å; C197-Y225 HydrophobicContact CB-CE2 3.44Å; C197-Y225 VanDerWaalsContact CB-CE2 3.44Å; C197-Y225 HydrophobicContact CB-CG 4.16Å; C197-Y225 VanDerWaalsContact CB-CZ 3.45Å; C197-Y225 PolarHBondContact N-O 3.27Å; C197-Y225 PolarHBondContact O-N 3.09Å; C197-Y225 VanDerWaalsContact SG-CE1 3.58Å; C197-Y225 PolarHBondContact SG-OH 2.94Å; C197-G227 WeakPolarHBondContact CB-O 3.01Å; C197-G227 PolarHBondContact N-O 2.91Å; C197-C229 WeakPolarHBondContact CA-SG 3.43Å; C197-C229 HydrophobicContact CB-CB 4.12Å; C197-C229 WeakPolarHBondContact CB-SG 3.26Å; C197-C229 WeakPolarHBondContact SG-CA 3.39Å; C197-C229 WeakPolarHBondContact SG-CB 3.17Å; C197-C229 CovalentContact SG-SG 2.04Å; C197-C229 PolarHBondContact SG-SG 3.08Å
198A89.9Confident86.4Confident0 Ų058.3 Ų58.30%033%0.327CS..EExtended strand (participates in β ladder)trans-89.2169.7-17900000112.3D200 G201 R202 Y204 V210 I221 E222A198-D200 WeakPolarHBondContact CB-OD1 2.98Å; A198-D200 PolarHBondContact O-N 3.2Å; A198-G201 PolarHBondContact O-N 3.49Å; A198-G201 VanDerWaalsContact O-N 3.08Å; A198-R202 PolarHBondContact N-O 3.47Å; A198-Y204 HydrophobicContact CB-CD2 3.55Å; A198-Y204 HydrophobicContact CB-CE2 3.51Å; A198-V210 HydrophobicContact CB-CG1 4.26Å; A198-V210 HydrophobicContact CB-CG2 4.44Å; A198-I221 HydrophobicContact CB-CG2 3.58Å; A198-E222 CarbonylContact C-O 3.52Å; A198-E222 VanDerWaalsContact CA-O 3.25Å; A198-E222 WeakPolarHBondContact CA-O 2.92Å
199S88.3Confident86.6Confident67 Ų6759.9 Ų59.947%0.46933%0.333SS..THydrogen-bonded Turntrans-64.1-25.1179.654.70000112.8G201 I221 E222S199-G201 PolarHBondContact O-N 3.18Å; S199-I221 WeakPolarHBondContact OG-CA 3.38Å; S199-E222 PolarHBondContact N-O 3.11Å; S199-E222 PolarHBondContact OG-N 3.48Å
200D86.2Confident87Confident53 Ų5355.3 Ų55.328%0.28330%0.301SS..THydrogen-bonded Turntrans-74.8-1.8174.475.5-24.1000113.3A198 R202 Y204 I221A198-D200 WeakPolarHBondContact CB-OD1 2.98Å; A198-D200 PolarHBondContact O-N 3.2Å; D200-R202 VanDerWaalsContact C-N 3.27Å; D200-R202 PolarHBondContact O-N 3.05Å; D200-R202 WeakPolarHBondContact OD1-CB 3Å; D200-R202 PolarHBondContact OD1-N 3.37Å; D200-R202 WeakPolarHBondContact OD2-CB 3.44Å; D200-R202 WeakPolarHBondContact OD2-CD 3.49Å; D200-R202 VanDerWaalsContact OD2-CG 3.27Å; D200-R202 WeakPolarHBondContact OD2-CG 3.06Å; D200-Y204 PolarHBondContact OD2-OH 3.41Å; D200-Y204 VanDerWaalsContact OD2-OH 3.07Å; D200-I221 HydrophobicContact CB-CG2 4.32Å
201G86.8Confident87.5Confident50 Ų5053.4 Ų53.452%0.51529%0.29SS..SBendtrans76.211.4-179.400000114A198 S199 C229A198-G201 PolarHBondContact O-N 3.49Å; A198-G201 VanDerWaalsContact O-N 3.08Å; S199-G201 PolarHBondContact O-N 3.18Å; G201-C229 WeakPolarHBondContact O-CB 3.4Å; G201-C229 PolarHBondContact O-SG 2.9Å
202R89Confident88.1Confident159 Ų15952.3 Ų52.360%0.628%0.283SS*.  trans-100.4149.3175.4-60-176.6120.581.60.3111.8A198 D200 Y204 C229A198-R202 PolarHBondContact N-O 3.47Å; D200-R202 VanDerWaalsContact C-N 3.27Å; D200-R202 PolarHBondContact O-N 3.05Å; D200-R202 WeakPolarHBondContact OD1-CB 3Å; D200-R202 PolarHBondContact OD1-N 3.37Å; D200-R202 WeakPolarHBondContact OD2-CB 3.44Å; D200-R202 WeakPolarHBondContact OD2-CD 3.49Å; D200-R202 VanDerWaalsContact OD2-CG 3.27Å; D200-R202 WeakPolarHBondContact OD2-CG 3.06Å; R202-Y204 HydrophobicContact CB-CE2 3.94Å; R202-C229 PolarHBondContact O-SG 3.49Å
203S90.8Very high88.7Confident26 Ų2650.3 Ų50.318%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-88.9129.1174.1-44.60000109.6V196 R228 C229 D232V196-S203 CarbonylContact O-C 3.08Å; V196-S203 WeakPolarHBondContact O-CA 3.44Å; S203-R228 WeakPolarHBondContact OG-CB 3.46Å; S203-C229 PolarHBondContact OG-N 3.08Å; S203-D232 PolarHBondContact OG-OD2 3Å; S203-D232 VanDerWaalsContact OG-OD2 3.05Å
204Y88.8Confident89Confident15 Ų1544.5 Ų44.56%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-113.2147.8174.4-69.3-81.1000110P195 V196 A198 D200 R202 N206 Q209 V210 E213 I221P195-Y204 CarbonylContact C-O 3.57Å; P195-Y204 WeakPolarHBondContact CA-O 3.46Å; V196-Y204 PolarHBondContact N-O 3.2Å; V196-Y204 PolarHBondContact O-N 3.4Å; A198-Y204 HydrophobicContact CB-CD2 3.55Å; A198-Y204 HydrophobicContact CB-CE2 3.51Å; D200-Y204 PolarHBondContact OD2-OH 3.41Å; D200-Y204 VanDerWaalsContact OD2-OH 3.07Å; R202-Y204 HydrophobicContact CB-CE2 3.94Å; Y204-N206 VanDerWaalsContact C-N 3.26Å; Y204-N206 PolarHBondContact O-N 3.11Å; Y204-Q209 HydrophobicContact CD1-CB 3.89Å; Y204-Q209 HydrophobicContact CG-CB 4.46Å; Y204-V210 HydrophobicContact CD2-CG2 3.68Å; Y204-V210 HydrophobicContact CE2-CG2 4.48Å; Y204-V210 HydrophobicContact CG-CG2 3.72Å; Y204-E213 HydrophobicContact CD1-CG 4.38Å; Y204-E213 HydrophobicContact CE1-CB 3.93Å; Y204-E213 HydrophobicContact CE1-CG 3.5Å; Y204-E213 PolarHBondContact OH-OE2 3.47Å; Y204-I221 HydrophobicContact CE2-CG2 4.42Å
205D87.3Confident89.2Confident64 Ų6441.1 Ų41.134%0.34222%0.221SC..SBendtrans-72.6-23.5-175.9-66.5-32.7000112.4F193 N194F193-D205 HydrophobicContact CD2-CB 3.82Å; F193-D205 HydrophobicContact CE2-CB 3.8Å; F193-D205 WeakPolarHBondContact CE2-OD1 3.29Å; N194-D205 CarbonylContact C-O 3.33Å; N194-D205 PolarHBondContact N-O 2.94Å
206N87.9Confident89.3Confident8 Ų845 Ų454%0.04324%0.237CC..SBendtrans-156161.3175.563.571.8000111.3I191 N194 Y204 C208 Q209I191-N206 HydrophobicContact CG2-CB 4.05Å; N194-N206 WeakPolarHBondContact O-CA 3.34Å; Y204-N206 VanDerWaalsContact C-N 3.26Å; Y204-N206 PolarHBondContact O-N 3.11Å; N206-C208 PolarHBondContact O-N 3.18Å; N206-C208 VanDerWaalsContact OD1-CA 3.29Å; N206-C208 WeakPolarHBondContact OD1-CA 3.22Å; N206-C208 WeakPolarHBondContact OD1-CB 3.44Å; N206-C208 PolarHBondContact OD1-N 3.2Å; N206-Q209 PolarHBondContact O-N 3.38Å; N206-Q209 PolarHBondContact OD1-N 2.92Å
207P88Confident89.1Confident51 Ų5149.2 Ų49.233%0.33126%0.255SS..Hα-helixtrans-63.1-17.9177.2-23.333.5000115.3V196 K211V196-P207 HydrophobicContact CG1-CG 3.99Å; P207-K211 PolarHBondContact O-N 3.45Å
208C90.7Very high88.6Confident18 Ų1851.7 Ų51.712%0.12227%0.266CS..Hα-helixtrans-72.5-42175.1175.40000111.3C188 I191 N206 V210 K211 E212C188-C208 WeakPolarHBondContact CA-SG 3.09Å; C188-C208 HydrophobicContact CB-CB 3.83Å; C188-C208 WeakPolarHBondContact CB-SG 3.39Å; C188-C208 WeakPolarHBondContact SG-CB 3.46Å; C188-C208 PolarHBondContact SG-O 2.92Å; C188-C208 CovalentContact SG-SG 2.05Å; C188-C208 PolarHBondContact SG-SG 3.3Å; I191-C208 HydrophobicContact CD1-CB 3.24Å; I191-C208 WeakPolarHBondContact CD1-SG 3.46Å; N206-C208 PolarHBondContact O-N 3.18Å; N206-C208 VanDerWaalsContact OD1-CA 3.29Å; N206-C208 WeakPolarHBondContact OD1-CA 3.22Å; N206-C208 WeakPolarHBondContact OD1-CB 3.44Å; N206-C208 PolarHBondContact OD1-N 3.2Å; C208-V210 PolarHBondContact O-N 2.92Å; C208-K211 WeakPolarHBondContact O-CA 3.46Å; C208-K211 WeakPolarHBondContact O-CB 3.44Å; C208-K211 PolarHBondContact O-N 2.9Å; C208-E212 PolarHBondContact O-N 2.93Å
209Q91.1Very high88.4Confident48 Ų4857.1 Ų57.122%0.22429%0.292CS..Hα-helixtrans-58.1-34.3174.2-72.9178.1-0.600111.8C188 Y204 N206 K211 E212 E213C188-Q209 HydrophobicContact CB-CG 4.47Å; Y204-Q209 HydrophobicContact CD1-CB 3.89Å; Y204-Q209 HydrophobicContact CG-CB 4.46Å; N206-Q209 PolarHBondContact O-N 3.38Å; N206-Q209 PolarHBondContact OD1-N 2.92Å; Q209-K211 VanDerWaalsContact C-N 3.3Å; Q209-K211 PolarHBondContact O-N 3.31Å; Q209-E212 PolarHBondContact O-N 3.18Å; Q209-E213 VanDerWaalsContact O-CB 3.27Å; Q209-E213 WeakPolarHBondContact O-CB 3.42Å; Q209-E213 VanDerWaalsContact O-CG 3.24Å; Q209-E213 WeakPolarHBondContact O-CG 3.37Å; Q209-E213 PolarHBondContact O-N 2.67Å
210V91.2Very high88.2Confident5 Ų562 Ų623%0.0330%0.3CS..Hα-helixtrans-60.6-40.8173.4-176.20000111.4V196 A198 Y204 C208 S214 I221 V223V196-V210 HydrophobicContact CG2-CG2 3.48Å; V196-V210 VanDerWaalsContact CG2-CG2 3.48Å; A198-V210 HydrophobicContact CB-CG1 4.26Å; A198-V210 HydrophobicContact CB-CG2 4.44Å; Y204-V210 HydrophobicContact CD2-CG2 3.68Å; Y204-V210 HydrophobicContact CE2-CG2 4.48Å; Y204-V210 HydrophobicContact CG-CG2 3.72Å; C208-V210 PolarHBondContact O-N 2.92Å; V210-S214 WeakPolarHBondContact O-CB 3.01Å; V210-S214 PolarHBondContact O-N 2.04Å; V210-I221 HydrophobicContact CG1-CB 4.33Å; V210-I221 HydrophobicContact CG1-CG2 3.79Å; V210-V223 HydrophobicContact CB-CG2 4.44Å; V210-V223 HydrophobicContact CG1-CG2 4.28Å; V210-V223 HydrophobicContact CG2-CG2 4.05Å
211K88.9Confident88.5Confident143 Ų14360.1 Ų60.162%0.62229%0.289SS*.Hα-helixtrans-72.9-40.5177.5-67.7-178.1177-175.60112.5P207 C208 Q209 E213 S214 C215P207-K211 PolarHBondContact O-N 3.45Å; C208-K211 WeakPolarHBondContact O-CA 3.46Å; C208-K211 WeakPolarHBondContact O-CB 3.44Å; C208-K211 PolarHBondContact O-N 2.9Å; Q209-K211 VanDerWaalsContact C-N 3.3Å; Q209-K211 PolarHBondContact O-N 3.31Å; K211-E213 VanDerWaalsContact C-N 3.29Å; K211-E213 PolarHBondContact O-N 3.32Å; K211-S214 PolarHBondContact O-N 3.35Å; K211-C215 WeakPolarHBondContact O-CB 3.26Å; K211-C215 PolarHBondContact O-N 3.43Å
212E90.5Very high88.4Confident56 Ų5662.6 Ų62.626%0.26229%0.287SS..Hα-helixtrans-57.5-46.3174.6-175.6-179.2-170.600110.6I186 C208 Q209 C215 Q216I186-E212 HydrophobicContact CB-CB 4.31Å; I186-E212 HydrophobicContact CB-CG 4.41Å; I186-E212 HydrophobicContact CG2-CB 4.02Å; C208-E212 PolarHBondContact O-N 2.93Å; Q209-E212 PolarHBondContact O-N 3.18Å; E212-C215 WeakPolarHBondContact O-CB 3.23Å; E212-C215 PolarHBondContact O-N 3.09Å; E212-Q216 WeakPolarHBondContact O-CG 3.43Å; E212-Q216 PolarHBondContact O-N 3.16Å; E212-Q216 PolarHBondContact OE1-NE2 2.03Å
213E90.8Very high88.4Confident54 Ų5458 Ų5825%0.25228%0.277SS..Hα-helixtrans-73.6-37.1-179.3-73.6-99.6177.400113Y204 Q209 K211 C215 Q216 K217 I221Y204-E213 HydrophobicContact CD1-CG 4.38Å; Y204-E213 HydrophobicContact CE1-CB 3.93Å; Y204-E213 HydrophobicContact CE1-CG 3.5Å; Y204-E213 PolarHBondContact OH-OE2 3.47Å; Q209-E213 VanDerWaalsContact O-CB 3.27Å; Q209-E213 WeakPolarHBondContact O-CB 3.42Å; Q209-E213 VanDerWaalsContact O-CG 3.24Å; Q209-E213 WeakPolarHBondContact O-CG 3.37Å; Q209-E213 PolarHBondContact O-N 2.67Å; K211-E213 VanDerWaalsContact C-N 3.29Å; K211-E213 PolarHBondContact O-N 3.32Å; E213-C215 VanDerWaalsContact C-N 3.26Å; E213-C215 PolarHBondContact O-N 2.89Å; E213-Q216 PolarHBondContact O-N 2.92Å; E213-K217 WeakPolarHBondContact O-CB 3.4Å; E213-K217 PolarHBondContact O-N 3.29Å; E213-K217 WeakPolarHBondContact OE2-CE 3.06Å; E213-K217 IonicContact OE2-NZ 3.22Å; E213-K217 PolarHBondContact OE2-NZ 2.75Å; E213-I221 HydrophobicContact CB-CD1 4.33Å
214S90.7Very high88Confident11 Ų1164.1 Ų64.18%0.07730%0.3CS..Hα-helixtrans-56.3-43.2169.5-1740000110.9V210 K211 Q218 E219 I221V210-S214 WeakPolarHBondContact O-CB 3.01Å; V210-S214 PolarHBondContact O-N 2.04Å; K211-S214 PolarHBondContact O-N 3.35Å; S214-Q218 WeakPolarHBondContact O-CA 3.18Å; S214-Q218 PolarHBondContact O-N 2.89Å; S214-Q218 VanDerWaalsContact O-N 3.11Å; S214-E219 WeakPolarHBondContact CA-O 3.04Å; S214-E219 PolarHBondContact O-N 2.93Å; S214-E219 PolarHBondContact OG-O 3.35Å; S214-I221 PolarHBondContact OG-N 3.18Å
215C89.3Confident87.7Confident1 Ų167.8 Ų67.81%0.00732%0.315CS..Hα-helixtrans-67.6-50.7175.7-174.30000112A171 C184 I186 K211 E212 E213 K217 Q218A171-C215 VanDerWaalsContact CA-SG 3.55Å; A171-C215 PolarHBondContact N-SG 3.47Å; A171-C215 VanDerWaalsContact N-SG 3.42Å; C184-C215 VanDerWaalsContact CA-SG 3.56Å; C184-C215 HydrophobicContact CB-CB 3.92Å; C184-C215 WeakPolarHBondContact CB-SG 3.37Å; C184-C215 WeakPolarHBondContact SG-CB 3.06Å; C184-C215 PolarHBondContact SG-O 2.89Å; C184-C215 CovalentContact SG-SG 2.03Å; C184-C215 PolarHBondContact SG-SG 3.44Å; I186-C215 HydrophobicContact CD1-CB 3.73Å; K211-C215 WeakPolarHBondContact O-CB 3.26Å; K211-C215 PolarHBondContact O-N 3.43Å; E212-C215 WeakPolarHBondContact O-CB 3.23Å; E212-C215 PolarHBondContact O-N 3.09Å; E213-C215 VanDerWaalsContact C-N 3.26Å; E213-C215 PolarHBondContact O-N 2.89Å; C215-K217 VanDerWaalsContact C-N 3.31Å; C215-K217 PolarHBondContact O-N 2.93Å; C215-Q218 PolarHBondContact O-N 3.14Å; C215-Q218 PolarHBondContact O-NE2 2.87Å
216Q87.2Confident87.5Confident112 Ų11270.8 Ų70.852%0.52333%0.33SS..Hα-helixtrans-63.8-35.7-175.7-74.6176.68.100112.8C184 E212 E213C184-Q216 HydrophobicContact CB-CG 4.27Å; C184-Q216 PolarHBondContact SG-N 3.45Å; C184-Q216 VanDerWaalsContact SG-N 3.42Å; E212-Q216 WeakPolarHBondContact O-CG 3.43Å; E212-Q216 PolarHBondContact O-N 3.16Å; E212-Q216 PolarHBondContact OE1-NE2 2.03Å; E213-Q216 PolarHBondContact O-N 2.92Å
217K86.8Confident87.3Confident88 Ų8871.5 Ų71.538%0.38334%0.34SS..Hα-helixtrans-87.2-11178.4-72169.6174.1145.60113.6E213 C215 E219 I221E213-K217 WeakPolarHBondContact O-CB 3.4Å; E213-K217 PolarHBondContact O-N 3.29Å; E213-K217 WeakPolarHBondContact OE2-CE 3.06Å; E213-K217 IonicContact OE2-NZ 3.22Å; E213-K217 PolarHBondContact OE2-NZ 2.75Å; C215-K217 VanDerWaalsContact C-N 3.31Å; C215-K217 PolarHBondContact O-N 2.93Å; K217-E219 HydrophobicContact CB-CB 4.19Å; K217-E219 HydrophobicContact CB-CG 4.31Å; K217-E219 PolarHBondContact O-N 2.81Å; K217-I221 HydrophobicContact CD-CD1 4Å
218Q80.9Confident87.2Confident56 Ų5676.1 Ų76.126%0.26235%0.35SS..THydrogen-bonded Turntrans53.438.6-170.6-66.9-67.7-62.900112.1I166 Q168 S214 C215I166-Q218 PolarHBondContact O-OE1 2.97Å; Q168-Q218 PolarHBondContact O-NE2 2.75Å; Q168-Q218 PolarHBondContact O-OE1 2.97Å; S214-Q218 WeakPolarHBondContact O-CA 3.18Å; S214-Q218 PolarHBondContact O-N 2.89Å; S214-Q218 VanDerWaalsContact O-N 3.11Å; C215-Q218 PolarHBondContact O-N 3.14Å; C215-Q218 PolarHBondContact O-NE2 2.87Å
219E86.1Confident87.1Confident115 Ų11575.9 Ų75.954%0.53735%0.349SS..SBendtrans-127.6143.1-177.6-75.8-179.7179.600110.4S214 K217 I221S214-E219 WeakPolarHBondContact CA-O 3.04Å; S214-E219 PolarHBondContact O-N 2.93Å; S214-E219 PolarHBondContact OG-O 3.35Å; K217-E219 HydrophobicContact CB-CB 4.19Å; K217-E219 HydrophobicContact CB-CG 4.31Å; K217-E219 PolarHBondContact O-N 2.81Å; E219-I221 HydrophobicContact CB-CG1 4.45Å; E219-I221 PolarHBondContact O-N 3.22Å
220R83.9Confident86.3Confident170 Ų17081.1 Ų81.164%0.64237%0.373SS*.  trans-71.291.7176.9-178.2-179-76.4-96.81110.8F169 E222F169-R220 HydrophobicContact CE1-CB 3.75Å; F169-R220 HydrophobicContact CE1-CG 4.21Å; F169-R220 HydrophobicContact CZ-CB 3.77Å; R220-E222 VanDerWaalsContact CD-OE1 3.29Å; R220-E222 WeakPolarHBondContact CD-OE1 2.97Å; R220-E222 HydrophobicContact CG-CG 3.99Å; R220-E222 IonicContact CZ-OE1 2.81Å; R220-E222 IonicContact NE-OE1 2.75Å; R220-E222 IonicContact NH1-OE1 2.71Å; R220-E222 PolarHBondContact NH1-OE1 3.19Å
221I91.1Very high85.1Confident12 Ų1283.8 Ų83.86%0.06240%0.402CS..  trans-99.1118.5171.4-50.7179.5000109.2A198 S199 D200 Y204 V210 E213 S214 K217 E219A198-I221 HydrophobicContact CB-CG2 3.58Å; S199-I221 WeakPolarHBondContact OG-CA 3.38Å; D200-I221 HydrophobicContact CB-CG2 4.32Å; Y204-I221 HydrophobicContact CE2-CG2 4.42Å; V210-I221 HydrophobicContact CG1-CB 4.33Å; V210-I221 HydrophobicContact CG1-CG2 3.79Å; E213-I221 HydrophobicContact CB-CD1 4.33Å; S214-I221 PolarHBondContact OG-N 3.18Å; K217-I221 HydrophobicContact CD-CD1 4Å; E219-I221 HydrophobicContact CB-CG1 4.45Å; E219-I221 PolarHBondContact O-N 3.22Å
222E85.8Confident83.5Confident102 Ų10280.7 Ų80.748%0.47739%0.392SS..  trans-120150.6-177.7-68.7-177.5-176.100111A198 S199 R220 K224A198-E222 CarbonylContact C-O 3.52Å; A198-E222 VanDerWaalsContact CA-O 3.25Å; A198-E222 WeakPolarHBondContact CA-O 2.92Å; S199-E222 PolarHBondContact N-O 3.11Å; S199-E222 PolarHBondContact OG-N 3.48Å; R220-E222 VanDerWaalsContact CD-OE1 3.29Å; R220-E222 WeakPolarHBondContact CD-OE1 2.97Å; R220-E222 HydrophobicContact CG-CG 3.99Å; R220-E222 IonicContact CZ-OE1 2.81Å; R220-E222 IonicContact NE-OE1 2.75Å; R220-E222 IonicContact NH1-OE1 2.71Å; R220-E222 PolarHBondContact NH1-OE1 3.19Å; E222-K224 PolarHBondContact O-N 3.33Å
223V88.1Confident81.8Confident64 Ų6484.1 Ų84.139%0.38841%0.411SS..EExtended strand (participates in β ladder)trans-71.9116.1174.91750000109.3V196 V210V196-V223 HydrophobicContact CB-CG1 3.9Å; V196-V223 HydrophobicContact CB-CG2 4.16Å; V196-V223 HydrophobicContact CG1-CG1 4.06Å; V196-V223 HydrophobicContact CG1-CG2 4.43Å; V196-V223 HydrophobicContact CG2-CG2 3.98Å; V210-V223 HydrophobicContact CB-CG2 4.44Å; V210-V223 HydrophobicContact CG1-CG2 4.28Å; V210-V223 HydrophobicContact CG2-CG2 4.05Å
224K83.2Confident79.8Confident153 Ų15387.7 Ų87.767%0.66544%0.437SS*.EExtended strand (participates in β ladder)trans-79.2-44.6177.1-166.5-179.3-178.5170.40111.6C197 E222C197-K224 WeakPolarHBondContact O-CA 3.47Å; C197-K224 WeakPolarHBondContact O-CB 3.3Å; C197-K224 PolarHBondContact O-N 3.22Å; E222-K224 PolarHBondContact O-N 3.33Å
225Y82.4Confident77.9Confident92 Ų9293 Ų9336%0.36147%0.469SS..EExtended strand (participates in β ladder)trans-161.4163.5175.158.2-96.7000111.7C197 C229 Q230C197-Y225 HydrophobicContact CB-CD1 4.15Å; C197-Y225 HydrophobicContact CB-CD2 3.81Å; C197-Y225 HydrophobicContact CB-CE1 3.81Å; C197-Y225 HydrophobicContact CB-CE2 3.44Å; C197-Y225 VanDerWaalsContact CB-CE2 3.44Å; C197-Y225 HydrophobicContact CB-CG 4.16Å; C197-Y225 VanDerWaalsContact CB-CZ 3.45Å; C197-Y225 PolarHBondContact N-O 3.27Å; C197-Y225 PolarHBondContact O-N 3.09Å; C197-Y225 VanDerWaalsContact SG-CE1 3.58Å; C197-Y225 PolarHBondContact SG-OH 2.94Å; Y225-C229 WeakPolarHBondContact OH-CA 3.41Å; Y225-Q230 PolarHBondContact OH-N 3.35Å
226L83.4Confident75.7Confident128 Ų12896.3 Ų96.367%0.6750%0.503SS*.EExtended strand (participates in β ladder)trans-77.2137.2176-62.1171.3000110.9V196V196-L226 HydrophobicContact CG1-CD2 3.84Å
227G83.1Confident73.5Confident23 Ų2396.8 Ų96.824%0.23752%0.518CS..SBendtrans103.8175.6-174.300000113.1P195 V196 C197P195-G227 WeakPolarHBondContact O-CA 3.29Å; P195-G227 PolarHBondContact O-N 2.65Å; V196-G227 CarbonylContact C-O 3.58Å; V196-G227 VanDerWaalsContact CA-O 3.29Å; V196-G227 WeakPolarHBondContact CA-O 3.44Å; C197-G227 WeakPolarHBondContact CB-O 3.01Å; C197-G227 PolarHBondContact N-O 2.91Å
228R86.8Confident71.6Confident147 Ų147103.1 Ų103.156%0.55555%0.546SS*.  trans-76.5155.5-179.6-66.3-169.5173-167.4-5.4112.3P195 S203P195-R228 HydrophobicContact CB-CG 4.2Å; S203-R228 WeakPolarHBondContact OG-CB 3.46Å
229C88Confident69.5Low13 Ų13103.8 Ų103.89%0.08857%0.568CS.*  trans-68.6146.2175.4-61.40000111.8C197 G201 R202 S203 Y225 G231 D232C197-C229 WeakPolarHBondContact CA-SG 3.43Å; C197-C229 HydrophobicContact CB-CB 4.12Å; C197-C229 WeakPolarHBondContact CB-SG 3.26Å; C197-C229 WeakPolarHBondContact SG-CA 3.39Å; C197-C229 WeakPolarHBondContact SG-CB 3.17Å; C197-C229 CovalentContact SG-SG 2.04Å; C197-C229 PolarHBondContact SG-SG 3.08Å; G201-C229 WeakPolarHBondContact O-CB 3.4Å; G201-C229 PolarHBondContact O-SG 2.9Å; R202-C229 PolarHBondContact O-SG 3.49Å; S203-C229 PolarHBondContact OG-N 3.08Å; Y225-C229 WeakPolarHBondContact OH-CA 3.41Å; C229-G231 PolarHBondContact O-N 3.28Å; C229-D232 PolarHBondContact O-N 2.87Å
230Q74.9Confident67.5Low159 Ų159102.6 Ų102.674%0.74359%0.587SS**THydrogen-bonded Turntrans-66.9-4.9-172.9-167.960.24400114.4Y225Y225-Q230 PolarHBondContact OH-N 3.35Å
231G64.8Low65.1Low61 Ų6197.7 Ų97.763%0.62959%0.589SS**THydrogen-bonded Turntrans-106.2-0.6-176.900000116C229 I233C229-G231 PolarHBondContact O-N 3.28Å; G231-I233 VanDerWaalsContact C-N 3.31Å; G231-I233 PolarHBondContact O-N 2.76Å
232D55.2Low62.6Low77 Ų77106.5 Ų106.541%0.41263%0.629SS.*THydrogen-bonded Turntrans-92.322.9-167.1-141.8-0.3000114.2S203 C229 T234S203-D232 PolarHBondContact OG-OD2 3Å; S203-D232 VanDerWaalsContact OG-OD2 3.05Å; C229-D232 PolarHBondContact O-N 2.87Å; D232-T234 VanDerWaalsContact C-N 3.33Å
233I55.1Low60.3Low129 Ų129110.8 Ų110.866%0.66265%0.647SS**THydrogen-bonded Turntrans-83.8-8.8-179.7-59.3178.8000111.6G231 M280G231-I233 VanDerWaalsContact C-N 3.31Å; G231-I233 PolarHBondContact O-N 2.76Å; I233-M280 HydrophobicContact CD1-CE 4.5Å
234T49Very low58.3Low129 Ų129113.4 Ų113.479%0.79167%0.665SS**SBendtrans-99.71.4-167.844.90000117.9D232D232-T234 VanDerWaalsContact C-N 3.33Å
235T50.3Low56.4Low123 Ų123114.6 Ų114.676%0.75567%0.673SS**SBendtrans-132.984.3173.7520000112.3
236G44.1Very low54.1Low70 Ų70116.2 Ų116.272%0.72269%0.692SS**SBendtrans142.853.4158.300000117.7
237S41.4Very low51.8Low121 Ų121116 Ų11685%0.84670%0.696SS**  trans-171.9113137.7-93.50000111.6G239S237-G239 PolarHBondContact O-N 2.91Å
238K45.1Very low49.7Very low222 Ų222124.2 Ų124.297%0.96573%0.729SS**  trans-59.1113154.8-79.6-178.9173.91760108.1
239G38.1Very low47.2Very low70 Ų70125 Ų12572%0.72274%0.744SS**  trans-163.995.5167.400000108S237S237-G239 PolarHBondContact O-N 2.91Å
240G43.5Very low45.1Very low90 Ų90129.9 Ų129.993%0.92878%0.778SS**  trans-63.1152.8-166.500000115
241G34.8Very low43.2Very low67 Ų67125.3 Ų125.369%0.69177%0.774SS**  trans-178.5110.1167.500000109.6F243G241-F243 PolarHBondContact O-N 3.37Å
242H36.9Very low41.7Very low196 Ų196129.5 Ų129.591%0.90779%0.787SS**PPolyproline II helixtrans-46.7130.5174.7-105.253.4000112.6
243F38.6Very low40.9Very low192 Ų192129.3 Ų129.384%0.84280%0.803SS**PPolyproline II helixtrans-84.7137.2157.3-75-87.3000109.4G241G241-F243 PolarHBondContact O-N 3.37Å
244P45.1Very low39.9Very low120 Ų120130.9 Ų130.978%0.77981%0.808SS**PPolyproline II helixtrans-84.8123.3150.81.717.5000109
245H43.9Very low39.5Very low178 Ų178130 Ų13082%0.82481%0.814SS**PPolyproline II helixtrans-51143.9160.7-92.4-97.2000111.6
246T34.3Very low39.1Very low125 Ų125135 Ų13577%0.76782%0.819SS**  trans-159.9101.8134.926.30000107.9
247T34.7Very low39.2Very low124 Ų124135 Ų13576%0.76182%0.819SS**  78.5113.710453.70000113.5
248E39.5Very low39.7Very low196 Ų196136.4 Ų136.492%0.91682%0.816SS**  trans-46.5139.8164.2-59.2172149.500111.5
249D33.3Very low39.8Very low163 Ų163130.6 Ų130.687%0.87279%0.789SS**  trans-140.3137.1140.3-155.84.4000110.2
250S43.8Very low40.7Very low116 Ų116131.1 Ų131.181%0.81177%0.774SS**  trans-92.3124.5-175.7-69.60000109.7
251G34.8Very low41.4Very low63 Ų63131.9 Ų131.965%0.64976%0.763SS**  trans166.4103168.100000115.2
252T34.3Very low42.6Very low148 Ų148129.6 Ų129.691%0.90874%0.736SS**  trans57.2110.6147.660.70000119.4
253G38.3Very low44Very low73 Ų73122.9 Ų122.975%0.75371%0.71SS**  trans85.4129.514000000118.3
254Q34.9Very low45.1Very low162 Ų162120.6 Ų120.676%0.75771%0.706SS**  trans73.4102.1161.9-133.470.71900117R256Q254-R256 VanDerWaalsContact C-N 3.29Å; Q254-R256 PolarHBondContact O-N 3.23Å
255A39.6Very low45.9Very low111 Ų111121.5 Ų121.592%0.91770%0.7SS**  trans-62.185.6166.700000111.3
256R41.4Very low47Very low228 Ų228116.9 Ų116.986%0.8668%0.676SS**  trans-10940.4162.9-84.3-170.3153.4112-1.5110.5Q254Q254-R256 VanDerWaalsContact C-N 3.29Å; Q254-R256 PolarHBondContact O-N 3.23Å
257G46.7Very low48.3Very low70 Ų70118.3 Ų118.372%0.72267%0.671SS**  trans-110.533.5-164.700000116.6
258L52.4Low50Low150 Ų150119.6 Ų119.679%0.78567%0.674SS**SBendtrans-142.243.9173.5-149.977.5000113.1
259Y47.6Very low51.8Low101 Ų101113 Ų11340%0.39664%0.641SS.*  trans-137.8105.1173.6-137.9-95.5000108.5P261 D274 C275 Q276Y259-P261 WeakPolarHBondContact O-CD 3.45Å; Y259-D274 PolarHBondContact OH-O 2.99Å; Y259-C275 WeakPolarHBondContact CE1-O 3.22Å; Y259-C275 PolarHBondContact OH-O 2.78Å; Y259-Q276 HydrophobicContact CD2-CG 3.79Å; Y259-Q276 HydrophobicContact CE1-CB 4.24Å; Y259-Q276 HydrophobicContact CE1-CG 4.37Å; Y259-Q276 HydrophobicContact CE2-CB 3.63Å; Y259-Q276 HydrophobicContact CE2-CG 3.22Å; Y259-Q276 VanDerWaalsContact CZ-CB 3.42Å; Y259-Q276 VanDerWaalsContact OH-CA 3.24Å; Y259-Q276 WeakPolarHBondContact OH-CA 3.44Å; Y259-Q276 WeakPolarHBondContact OH-CB 2.94Å; Y259-Q276 PolarHBondContact OH-N 2.89Å
260I56.7Low54.2Low81 Ų81105.9 Ų105.942%0.41560%0.603SS.*PPolyproline II helixtrans-75.1118.4165-65.4159.4000105.2C262 N279I260-C262 PolarHBondContact O-N 2.98Å; I260-N279 WeakPolarHBondContact CD1-OD1 3.49Å
261P56.8Low56Low106 Ų106103.1 Ų103.169%0.68859%0.588SS**BIsolated β-bridgetrans-58.9130.8173.423.8-30.9000108.4Y259Y259-P261 WeakPolarHBondContact O-CD 3.45Å
262C61Low58.2Low19 Ų19104.3 Ų104.313%0.12858%0.576CS.*PPolyproline II helixtrans-53.3136.2177.2-71.10000110I260 C275I260-C262 PolarHBondContact O-N 2.98Å; C262-C275 HydrophobicContact CB-CB 3.81Å; C262-C275 WeakPolarHBondContact CB-SG 3.15Å; C262-C275 WeakPolarHBondContact SG-CB 3.28Å; C262-C275 PolarHBondContact SG-O 2.89Å; C262-C275 CovalentContact SG-SG 2.03Å; C262-C275 PolarHBondContact SG-SG 3.4Å
263P66.4Low60.4Low54 Ų5498 Ų9835%0.35154%0.541SS..PPolyproline II helixtrans-48.3149.3174.6-29.535.4000112.3H265 Y266P263-H265 WeakPolarHBondContact CB-CE1 3.32Å; P263-H265 WeakPolarHBondContact CB-ND1 3.38Å; P263-H265 PolarHBondContact O-N 2.79Å; P263-Y266 PolarHBondContact O-N 2.76Å
264D62.3Low62.5Low144 Ų14499.2 Ų99.277%0.7753%0.53SS*.G310 helixtrans-53.4-25.1-171.6-73.5-50.2000115Y266 K267D264-Y266 VanDerWaalsContact C-N 3.32Å; D264-Y266 PolarHBondContact O-N 3.01Å; D264-K267 WeakPolarHBondContact O-CB 3.22Å; D264-K267 PolarHBondContact O-N 3.42Å
265H61.9Low64.4Low139 Ų13992.5 Ų92.564%0.64450%0.501SS*.G310 helixtrans-73.6-18.6176.558.6-90.4000114.4P263P263-H265 WeakPolarHBondContact CB-CE1 3.32Å; P263-H265 WeakPolarHBondContact CB-ND1 3.38Å; P263-H265 PolarHBondContact O-N 2.79Å
266Y65.3Low65.9Low82 Ų8290.8 Ų90.832%0.32247%0.474SS..G310 helixtrans-102.95.8175.6-67.6-57.1000113.4P263 D264 N268 Y269 P284P263-Y266 PolarHBondContact O-N 2.76Å; D264-Y266 VanDerWaalsContact C-N 3.32Å; D264-Y266 PolarHBondContact O-N 3.01Å; Y266-N268 PolarHBondContact O-N 3.08Å; Y266-N268 VanDerWaalsContact O-N 3.09Å; Y266-Y269 HydrophobicContact CD1-CD2 4.12Å; Y266-Y269 HydrophobicContact CD1-CG 4.32Å; Y266-Y269 WeakPolarHBondContact O-CB 3.3Å; Y266-Y269 PolarHBondContact O-N 2.74Å; Y266-P284 HydrophobicContact CD1-CG 3.89Å; Y266-P284 HydrophobicContact CD2-CG 4.35Å; Y266-P284 HydrophobicContact CE1-CG 4.03Å; Y266-P284 HydrophobicContact CE2-CG 4.44Å; Y266-P284 HydrophobicContact CG-CB 4.42Å; Y266-P284 HydrophobicContact CG-CG 4.09Å
267K63.1Low67Low154 Ų15482.5 Ų82.567%0.6744%0.444SS*.THydrogen-bonded Turntrans-57.5-26.8179.7-169.1172.7-177.6173.10114D264D264-K267 WeakPolarHBondContact O-CB 3.22Å; D264-K267 PolarHBondContact O-N 3.42Å
268N69.9Low67.6Low152 Ų15281.3 Ų81.381%0.81342%0.423SS*.THydrogen-bonded Turntrans-108.114.7176.7-59.9-30.8000113.1Y266Y266-N268 PolarHBondContact O-N 3.08Å; Y266-N268 VanDerWaalsContact O-N 3.09Å
269Y77.5Confident67.6Low57 Ų5780 Ų8022%0.22442%0.417CS..THydrogen-bonded Turntrans-70.6-38.9179.8-178.5-96.3000111.6Y266 P284 C286 K296Y266-Y269 HydrophobicContact CD1-CD2 4.12Å; Y266-Y269 HydrophobicContact CD1-CG 4.32Å; Y266-Y269 WeakPolarHBondContact O-CB 3.3Å; Y266-Y269 PolarHBondContact O-N 2.74Å; Y269-P284 HydrophobicContact CD1-CB 4.08Å; Y269-P284 HydrophobicContact CD1-CG 3.91Å; Y269-P284 HydrophobicContact CD2-CG 4.23Å; Y269-P284 HydrophobicContact CE1-CB 4.25Å; Y269-P284 HydrophobicContact CE1-CG 3.87Å; Y269-P284 HydrophobicContact CE2-CG 4.15Å; Y269-P284 HydrophobicContact CG-CG 4.11Å; Y269-C286 VanDerWaalsContact CD1-SG 3.52Å; Y269-K296 HydrophobicContact CE1-CG 4.09Å; Y269-K296 HydrophobicContact CE2-CD 4.43Å; Y269-K296 VanDerWaalsContact CE2-CE 3.43Å; Y269-K296 HydrophobicContact CE2-CG 4.43Å; Y269-K296 WeakPolarHBondContact O-CB 3.33Å; Y269-K296 WeakPolarHBondContact O-CG 3.44Å
270C82.6Confident67.6Low13 Ų1382.7 Ų82.79%0.08844%0.435CS..  trans-92.5120.9173.7-50.10000109.5G273 C275 C286C270-G273 WeakPolarHBondContact CB-O 3.29Å; C270-C275 VanDerWaalsContact SG-CA 3.57Å; C270-C275 VanDerWaalsContact SG-CB 3.58Å; C270-C286 WeakPolarHBondContact CA-SG 3.42Å; C270-C286 HydrophobicContact CB-CB 3.73Å; C270-C286 WeakPolarHBondContact CB-SG 3.14Å; C270-C286 WeakPolarHBondContact SG-CA 3.47Å; C270-C286 WeakPolarHBondContact SG-CB 3.44Å; C270-C286 CovalentContact SG-SG 2.02Å; C270-C286 PolarHBondContact SG-SG 3.3Å
271A82.3Confident67.4Low59 Ų5984 Ų8449%0.48844%0.443SS..SBendtrans-74.5-51.2-179.400000111.6K296 D298A271-K296 PolarHBondContact N-O 3.01Å; A271-D298 HydrophobicContact CB-CB 4.31Å
272H81.6Confident67.3Low88 Ų8885 Ų8541%0.40745%0.452SS..SBendtrans-129.859.2179.9-62.6-73.3000111.4H289 Y292 C297H272-H289 PolarHBondContact O-N 2.97Å; H272-H289 PolarHBondContact O-ND1 2.04Å; H272-Y292 HydrophobicContact CB-CD1 3.63Å; H272-Y292 HydrophobicContact CB-CD2 3.87Å; H272-Y292 HydrophobicContact CB-CE1 3.89Å; H272-Y292 HydrophobicContact CB-CE2 4.13Å; H272-Y292 HydrophobicContact CB-CG 3.61Å; H272-Y292 AromaticContact CD2-CD1 3.53Å; H272-Y292 AromaticContact CD2-CE1 3.15Å; H272-Y292 WeakPolarHBondContact CD2-CE1 3.49Å; H272-Y292 AromaticContact CD2-CZ 3.78Å; H272-Y292 AromaticContact CG-CD1 3.73Å; H272-Y292 AromaticContact CG-CE1 3.48Å; H272-Y292 VanDerWaalsContact CG-CE1 3.48Å; H272-Y292 AromaticContact CG-CZ 3.71Å; H272-Y292 AromaticContact NE2-CE1 3.7Å; H272-C297 WeakPolarHBondContact CB-O 3.39Å; H272-C297 PolarHBondContact N-O 3.48Å; H272-C297 WeakPolarHBondContact O-CB 3.25Å
273G79.8Confident67.1Low16 Ų1690.3 Ų90.317%0.16548%0.475CS..EExtended strand (participates in β ladder)trans-167.6162.2-17500000113.1C270 S287 H289C270-G273 WeakPolarHBondContact CB-O 3.29Å; G273-S287 CarbonylContact C-O 3.4Å; G273-S287 WeakPolarHBondContact CA-O 3.04Å; G273-H289 WeakPolarHBondContact CA-ND1 3.4Å
274D82.2Confident67.2Low97 Ų9788.3 Ų88.352%0.51946%0.462SS..EExtended strand (participates in β ladder)trans-87.9129.1172.5-64.2-49.9000109.5Y259 Q276 S287 H289Y259-D274 PolarHBondContact OH-O 2.99Å; D274-Q276 PolarHBondContact O-N 2.95Å; D274-S287 PolarHBondContact N-O 2.04Å; D274-S287 PolarHBondContact O-N 2.73Å; D274-H289 IonicContact OD2-CE1 3.95Å
275C75.4Confident67.8Low22 Ų2284.2 Ų84.215%0.14945%0.445CS..EExtended strand (participates in β ladder)trans-80.4110.5-177.4-175.20000110.9Y259 C262 C270Y259-C275 WeakPolarHBondContact CE1-O 3.22Å; Y259-C275 PolarHBondContact OH-O 2.78Å; C262-C275 HydrophobicContact CB-CB 3.81Å; C262-C275 WeakPolarHBondContact CB-SG 3.15Å; C262-C275 WeakPolarHBondContact SG-CB 3.28Å; C262-C275 PolarHBondContact SG-O 2.89Å; C262-C275 CovalentContact SG-SG 2.03Å; C262-C275 PolarHBondContact SG-SG 3.4Å; C270-C275 VanDerWaalsContact SG-CA 3.57Å; C270-C275 VanDerWaalsContact SG-CB 3.58Å
276Q71Confident68.8Low74 Ų7478.5 Ų78.535%0.34642%0.42SS..EExtended strand (participates in β ladder)trans-93.7135.6172.3-159154.317.600109.5Y259 D274 P278 S285Y259-Q276 HydrophobicContact CD2-CG 3.79Å; Y259-Q276 HydrophobicContact CE1-CB 4.24Å; Y259-Q276 HydrophobicContact CE1-CG 4.37Å; Y259-Q276 HydrophobicContact CE2-CB 3.63Å; Y259-Q276 HydrophobicContact CE2-CG 3.22Å; Y259-Q276 VanDerWaalsContact CZ-CB 3.42Å; Y259-Q276 VanDerWaalsContact OH-CA 3.24Å; Y259-Q276 WeakPolarHBondContact OH-CA 3.44Å; Y259-Q276 WeakPolarHBondContact OH-CB 2.94Å; Y259-Q276 PolarHBondContact OH-N 2.89Å; D274-Q276 PolarHBondContact O-N 2.95Å; Q276-P278 HydrophobicContact CG-CG 4.49Å; Q276-P278 VanDerWaalsContact O-CD 3.3Å; Q276-P278 WeakPolarHBondContact O-CD 3.33Å; Q276-S285 CarbonylContact C-O 3.53Å; Q276-S285 WeakPolarHBondContact CA-O 3.06Å; Q276-S285 PolarHBondContact N-O 2.9Å; Q276-S285 PolarHBondContact O-N 3.34Å
277F64.6Low69.5Low55 Ų5577.5 Ų77.524%0.24143%0.425CS..  trans-110.289.3169.4-157.1-90.6000108.7N279 P284F277-N279 PolarHBondContact O-N 2.79Å; F277-P284 HydrophobicContact CD2-CB 4.34Å
278P58Low70.5Confident44 Ų4472.1 Ų72.129%0.28641%0.406SS..  trans-69.6123.9177.2-10.726.5000108.6Q276 M280 L281Q276-P278 HydrophobicContact CG-CG 4.49Å; Q276-P278 VanDerWaalsContact O-CD 3.3Å; Q276-P278 WeakPolarHBondContact O-CD 3.33Å; P278-M280 PolarHBondContact O-N 3.23Å; P278-L281 PolarHBondContact O-N 2.99Å; P278-L281 VanDerWaalsContact O-N 3.08Å; P278-L281 VanDerWaalsContact O-O 3.14Å
279N54.1Low71.2Confident123 Ų12369.6 Ų69.666%0.65839%0.39SS*.THydrogen-bonded Turntrans-56-6.5-177.4-78.2-24000116I260 F277I260-N279 WeakPolarHBondContact CD1-OD1 3.49Å; F277-N279 PolarHBondContact O-N 2.79Å
280M47.4Very low71.2Confident157 Ų15773 Ų7377%0.77342%0.421SS*.THydrogen-bonded Turntrans-105.2-12-176.8-72.7-77.4160.600114I233 P278I233-M280 HydrophobicContact CD1-CE 4.5Å; P278-M280 PolarHBondContact O-N 3.23Å
281L51.6Low70.6Confident109 Ų10974 Ų7457%0.57143%0.434SS*.SBendtrans-121.1120.3171.8-73.796.1000107.2P278 Q283P278-L281 PolarHBondContact O-N 2.99Å; P278-L281 VanDerWaalsContact O-N 3.08Å; P278-L281 VanDerWaalsContact O-O 3.14Å; L281-Q283 PolarHBondContact O-N 2.82Å
282S54.5Low70.4Confident127 Ų12773.8 Ų73.889%0.88842%0.421SS*.SBendtrans-67.535.2171.1460000112.6
283Q56.8Low69.9Low131 Ų13174.3 Ų74.361%0.61243%0.425SS*.SBendtrans-145.5130.5-176-156.3166.289.200109.8L281L281-Q283 PolarHBondContact O-N 2.82Å
284P68.3Low69.6Low11 Ų1174.9 Ų74.97%0.07143%0.432CS..  trans-66138.3-179.527.2-34.4000111Y266 Y269 F277Y266-P284 HydrophobicContact CD1-CG 3.89Å; Y266-P284 HydrophobicContact CD2-CG 4.35Å; Y266-P284 HydrophobicContact CE1-CG 4.03Å; Y266-P284 HydrophobicContact CE2-CG 4.44Å; Y266-P284 HydrophobicContact CG-CB 4.42Å; Y266-P284 HydrophobicContact CG-CG 4.09Å; Y269-P284 HydrophobicContact CD1-CB 4.08Å; Y269-P284 HydrophobicContact CD1-CG 3.91Å; Y269-P284 HydrophobicContact CD2-CG 4.23Å; Y269-P284 HydrophobicContact CE1-CB 4.25Å; Y269-P284 HydrophobicContact CE1-CG 3.87Å; Y269-P284 HydrophobicContact CE2-CG 4.15Å; Y269-P284 HydrophobicContact CG-CG 4.11Å; F277-P284 HydrophobicContact CD2-CB 4.34Å
285S75.3Confident69.4Low59 Ų5975.1 Ų75.141%0.41344%0.438SS..EExtended strand (participates in β ladder)trans-116.3139.9177.5-172.90000110Q276Q276-S285 CarbonylContact C-O 3.53Å; Q276-S285 WeakPolarHBondContact CA-O 3.06Å; Q276-S285 PolarHBondContact N-O 2.9Å; Q276-S285 PolarHBondContact O-N 3.34Å
286C83.3Confident69.7Low18 Ų1878.6 Ų78.612%0.12245%0.451CS..EExtended strand (participates in β ladder)trans-103.6126.6-178.9-61.80000111.2Y269 C270 C297Y269-C286 VanDerWaalsContact CD1-SG 3.52Å; C270-C286 WeakPolarHBondContact CA-SG 3.42Å; C270-C286 HydrophobicContact CB-CB 3.73Å; C270-C286 WeakPolarHBondContact CB-SG 3.14Å; C270-C286 WeakPolarHBondContact SG-CA 3.47Å; C270-C286 WeakPolarHBondContact SG-CB 3.44Å; C270-C286 CovalentContact SG-SG 2.02Å; C270-C286 PolarHBondContact SG-SG 3.3Å; C286-C297 WeakPolarHBondContact CB-SG 3.18Å
287S81.3Confident70.3Confident62 Ų6275 Ų7543%0.43443%0.434SS..EExtended strand (participates in β ladder)trans-86.6110.9165.2-172.80000108.8G273 D274G273-S287 CarbonylContact C-O 3.4Å; G273-S287 WeakPolarHBondContact CA-O 3.04Å; D274-S287 PolarHBondContact N-O 2.04Å; D274-S287 PolarHBondContact O-N 2.73Å
288C83.9Confident71.2Confident40 Ų4077.1 Ų77.127%0.2745%0.448SS..EExtended strand (participates in β ladder)trans-80.7142.2-172.4-54.10000113.3Y292 C297C288-Y292 WeakPolarHBondContact CB-O 3.04Å; C288-C297 WeakPolarHBondContact CA-SG 3.34Å; C288-C297 HydrophobicContact CB-CB 3.61Å; C288-C297 WeakPolarHBondContact CB-SG 3.39Å; C288-C297 PolarHBondContact N-SG 2.75Å; C288-C297 VanDerWaalsContact N-SG 3.44Å; C288-C297 WeakPolarHBondContact SG-CA 3.19Å; C288-C297 WeakPolarHBondContact SG-CB 3.46Å; C288-C297 CovalentContact SG-SG 2.02Å; C288-C297 PolarHBondContact SG-SG 3.08Å
289H83.9Confident72.1Confident100 Ų10079.6 Ų79.646%0.46346%0.458SS..PPolyproline II helixtrans-66.2153.4168.3-7671.9000110.5H272 G273 D274 G291 Y292H272-H289 PolarHBondContact O-N 2.97Å; H272-H289 PolarHBondContact O-ND1 2.04Å; G273-H289 WeakPolarHBondContact CA-ND1 3.4Å; D274-H289 IonicContact OD2-CE1 3.95Å; H289-G291 PolarHBondContact O-N 2.89Å; H289-Y292 HydrophobicContact CB-CD2 4.44Å; H289-Y292 WeakPolarHBondContact O-CB 3.03Å; H289-Y292 PolarHBondContact O-N 2.81Å
290S77.1Confident73Confident127 Ų12779 Ų7989%0.88845%0.449SS*.THydrogen-bonded Turntrans-50.4126.5-177.7-530000112.6
291G70.1Confident73.7Confident35 Ų3576.6 Ų76.636%0.36144%0.436SS..THydrogen-bonded Turntrans85.56.1-178.300000115H289 K300 E301H289-G291 PolarHBondContact O-N 2.89Å; G291-K300 CarbonylContact O-C 3.13Å; G291-K300 WeakPolarHBondContact O-CA 3.47Å; G291-E301 PolarHBondContact O-N 3.28Å
292Y78.6Confident74.1Confident54 Ų5479.9 Ų79.921%0.21244%0.442CS..EExtended strand (participates in β ladder)trans-115.9140.5170.1-66.6-93.3000110.7H272 C288 H289 I299 K300H272-Y292 HydrophobicContact CB-CD1 3.63Å; H272-Y292 HydrophobicContact CB-CD2 3.87Å; H272-Y292 HydrophobicContact CB-CE1 3.89Å; H272-Y292 HydrophobicContact CB-CE2 4.13Å; H272-Y292 HydrophobicContact CB-CG 3.61Å; H272-Y292 AromaticContact CD2-CD1 3.53Å; H272-Y292 AromaticContact CD2-CE1 3.15Å; H272-Y292 WeakPolarHBondContact CD2-CE1 3.49Å; H272-Y292 AromaticContact CD2-CZ 3.78Å; H272-Y292 AromaticContact CG-CD1 3.73Å; H272-Y292 AromaticContact CG-CE1 3.48Å; H272-Y292 VanDerWaalsContact CG-CE1 3.48Å; H272-Y292 AromaticContact CG-CZ 3.71Å; H272-Y292 AromaticContact NE2-CE1 3.7Å; C288-Y292 WeakPolarHBondContact CB-O 3.04Å; H289-Y292 HydrophobicContact CB-CD2 4.44Å; H289-Y292 WeakPolarHBondContact O-CB 3.03Å; H289-Y292 PolarHBondContact O-N 2.81Å; Y292-I299 CarbonylContact C-O 3.53Å; Y292-I299 VanDerWaalsContact CA-O 3.25Å; Y292-I299 WeakPolarHBondContact CA-O 3.29Å; Y292-K300 HydrophobicContact CD1-CB 4.17Å; Y292-K300 HydrophobicContact CE1-CB 3.94Å; Y292-K300 HydrophobicContact CE1-CD 4.36Å; Y292-K300 HydrophobicContact CE1-CG 4.14Å
293M69.9Low73.8Confident99 Ų9980.8 Ų80.849%0.48844%0.437SS..EExtended strand (participates in β ladder)trans-138.1170.3-174.9-69.8-95.188.800109.9C297 I299M293-C297 WeakPolarHBondContact O-CA 3.41Å; M293-I299 PolarHBondContact N-O 2.82Å; M293-I299 VanDerWaalsContact O-CB 3.29Å; M293-I299 WeakPolarHBondContact O-CB 3.4Å; M293-I299 PolarHBondContact O-N 3.49Å; M293-I299 VanDerWaalsContact O-N 3.1Å
294G75.3Confident73.4Confident29 Ų2980.1 Ų80.130%0.29944%0.442SS..SBendtrans98.3167.7178.700000113.9K296 C297G294-K296 PolarHBondContact O-N 3.28Å; G294-K296 VanDerWaalsContact O-N 3.14Å; G294-C297 PolarHBondContact O-N 2.66Å; G294-C297 VanDerWaalsContact O-N 3.15Å
295P77.1Confident72.3Confident102 Ų10286.7 Ų86.766%0.66248%0.476SS*.THydrogen-bonded Turntrans-65.2-19.7-172.926.5-34.7000113.6
296K81.1Confident70.7Confident94 Ų9493.7 Ų93.741%0.40949%0.494SS..THydrogen-bonded Turntrans-118.88.6176.6-66.8-174.5177.5-179.10113.6Y269 A271 G294 D298Y269-K296 HydrophobicContact CE1-CG 4.09Å; Y269-K296 HydrophobicContact CE2-CD 4.43Å; Y269-K296 VanDerWaalsContact CE2-CE 3.43Å; Y269-K296 HydrophobicContact CE2-CG 4.43Å; Y269-K296 WeakPolarHBondContact O-CB 3.33Å; Y269-K296 WeakPolarHBondContact O-CG 3.44Å; A271-K296 PolarHBondContact N-O 3.01Å; G294-K296 PolarHBondContact O-N 3.28Å; G294-K296 VanDerWaalsContact O-N 3.14Å; K296-D298 PolarHBondContact O-N 3.42Å
297C84.2Confident68.8Low0 Ų097.1 Ų97.10%052%0.515CS..SBendtrans54.438.1-175.5-490000113.4H272 C286 C288 M293 G294H272-C297 WeakPolarHBondContact CB-O 3.39Å; H272-C297 PolarHBondContact N-O 3.48Å; H272-C297 WeakPolarHBondContact O-CB 3.25Å; C286-C297 WeakPolarHBondContact CB-SG 3.18Å; C288-C297 WeakPolarHBondContact CA-SG 3.34Å; C288-C297 HydrophobicContact CB-CB 3.61Å; C288-C297 WeakPolarHBondContact CB-SG 3.39Å; C288-C297 PolarHBondContact N-SG 2.75Å; C288-C297 VanDerWaalsContact N-SG 3.44Å; C288-C297 WeakPolarHBondContact SG-CA 3.19Å; C288-C297 WeakPolarHBondContact SG-CB 3.46Å; C288-C297 CovalentContact SG-SG 2.02Å; C288-C297 PolarHBondContact SG-SG 3.08Å; M293-C297 WeakPolarHBondContact O-CA 3.41Å; G294-C297 PolarHBondContact O-N 2.66Å; G294-C297 VanDerWaalsContact O-N 3.15Å
298D83.2Confident66.9Low98 Ų9899.8 Ų99.852%0.52453%0.528SS..  trans-97.7-12.9-179.158.7-33.2000112.8A271 K296A271-D298 HydrophobicContact CB-CB 4.31Å; K296-D298 PolarHBondContact O-N 3.42Å
299I77.7Confident64.9Low97 Ų97100.8 Ų100.850%0.49753%0.534SS..EExtended strand (participates in β ladder)trans-93.9113.3-179.2-50.9172.8000108.7Y292 M293Y292-I299 CarbonylContact C-O 3.53Å; Y292-I299 VanDerWaalsContact CA-O 3.25Å; Y292-I299 WeakPolarHBondContact CA-O 3.29Å; M293-I299 PolarHBondContact N-O 2.82Å; M293-I299 VanDerWaalsContact O-CB 3.29Å; M293-I299 WeakPolarHBondContact O-CB 3.4Å; M293-I299 PolarHBondContact O-N 3.49Å; M293-I299 VanDerWaalsContact O-N 3.1Å
300K73Confident63.3Low109 Ų10998.3 Ų98.347%0.47454%0.536SS..EExtended strand (participates in β ladder)trans-83.3124.9171.4-168.6175.6-178.51750109.9G291 Y292 Y302G291-K300 CarbonylContact O-C 3.13Å; G291-K300 WeakPolarHBondContact O-CA 3.47Å; Y292-K300 HydrophobicContact CD1-CB 4.17Å; Y292-K300 HydrophobicContact CE1-CB 3.94Å; Y292-K300 HydrophobicContact CE1-CD 4.36Å; Y292-K300 HydrophobicContact CE1-CG 4.14Å; K300-Y302 PolarHBondContact O-N 3.45Å
301E61.2Low62.3Low108 Ų10897.1 Ų97.151%0.50553%0.527SS..  trans-73.490.7175.6-156165.3-145.200108.6G291 N303G291-E301 PolarHBondContact O-N 3.28Å; E301-N303 PolarHBondContact O-N 3.2Å
302Y59.4Low61.8Low178 Ų17897.6 Ų97.670%0.69853%0.532SS*.  trans-68111.9151.7-58.1-82000104.2K300 V304K300-Y302 PolarHBondContact O-N 3.45Å; Y302-V304 PolarHBondContact O-N 2.94Å
303N48.7Very low60.8Low146 Ų146101.8 Ų101.878%0.78155%0.552SS**  trans-57.874.2167.2-78.1-32.7000109.4E301 L305E301-N303 PolarHBondContact O-N 3.2Å; N303-L305 VanDerWaalsContact C-N 3.35Å; N303-L305 PolarHBondContact O-N 2.9Å
304V49.5Very low60.4Low117 Ų117101.3 Ų101.371%0.70955%0.551SS**  trans-85.895.2162172.90000103.5Y302 Y306Y302-V304 PolarHBondContact O-N 2.94Å; V304-Y306 VanDerWaalsContact C-N 3.26Å; V304-Y306 PolarHBondContact O-N 3.05Å
305L44.6Very low60.2Low149 Ų149105.9 Ų105.978%0.7856%0.564SS**  trans-38.684.9170-153.781.2000111N303 V307N303-L305 VanDerWaalsContact C-N 3.35Å; N303-L305 PolarHBondContact O-N 2.9Å; L305-V307 HydrophobicContact CD2-CG2 3.62Å; L305-V307 HydrophobicContact CG-CG2 3.67Å; L305-V307 PolarHBondContact O-N 3.21Å
306Y40.6Very low60.1Low206 Ų206109.4 Ų109.481%0.80857%0.565SS**  trans-81.877.7170.1-141.8-88.2000106.5V304 V308V304-Y306 VanDerWaalsContact C-N 3.26Å; V304-Y306 PolarHBondContact O-N 3.05Å; Y306-V308 VanDerWaalsContact C-N 3.3Å; Y306-V308 HydrophobicContact CD1-CG2 4.16Å; Y306-V308 PolarHBondContact O-N 3Å
307V44.3Very low60Low90 Ų90109.6 Ų109.655%0.54557%0.574SS.*  trans-6496.8170.5-175.40000106.6L305 P309L305-V307 HydrophobicContact CD2-CG2 3.62Å; L305-V307 HydrophobicContact CG-CG2 3.67Å; L305-V307 PolarHBondContact O-N 3.21Å; V307-P309 VanDerWaalsContact O-CD 3.23Å; V307-P309 WeakPolarHBondContact O-CD 3.13Å
308V41.6Very low59.8Low117 Ų117114.5 Ų114.571%0.70960%0.6SS**  trans-72.3109.6160.5179.60000105.7Y306 G310Y306-V308 VanDerWaalsContact C-N 3.3Å; Y306-V308 HydrophobicContact CD1-CG2 4.16Å; Y306-V308 PolarHBondContact O-N 3Å; V308-G310 PolarHBondContact O-N 3.02Å
309P42Very low59.9Low61 Ų61114.1 Ų114.140%0.39660%0.596SS.*  trans-80.5115.9-17830.5-26000108.7V307 K313 L314V307-P309 VanDerWaalsContact O-CD 3.23Å; V307-P309 WeakPolarHBondContact O-CD 3.13Å; P309-K313 HydrophobicContact CB-CB 4.4Å; P309-L314 HydrophobicContact CB-CD2 4.37Å; P309-L314 HydrophobicContact CB-CG 4.47Å; P309-L314 HydrophobicContact CG-CD2 4.09Å; P309-L314 HydrophobicContact CG-CG 4.49Å
310G50.7Low60.1Low49 Ų49112.4 Ų112.451%0.50560%0.597SS.*  trans-55.5144157.700000109.7V308 G312 K313V308-G310 PolarHBondContact O-N 3.02Å; G310-G312 PolarHBondContact O-N 3.07Å; G310-K313 PolarHBondContact O-N 2.85Å
311S54.8Low61Low102 Ų102111 Ų11171%0.71360%0.601SS**THydrogen-bonded Turntrans-51.3-23-170.149.30000115.7
312G59.5Low62.5Low45 Ų45110.8 Ų110.846%0.46460%0.602SS.*THydrogen-bonded Turntrans-73.7-24.1174.400000115.3G310G310-G312 PolarHBondContact O-N 3.07Å
313K58Low64.1Low142 Ų142106.5 Ų106.562%0.61759%0.59SS**Hα-helixtrans-83.4-17.7-178.4-67.8-178.1179.3169.90113.3P309 G310 H315 V317P309-K313 HydrophobicContact CB-CB 4.4Å; G310-K313 PolarHBondContact O-N 2.85Å; K313-H315 VanDerWaalsContact C-N 3.33Å; K313-H315 PolarHBondContact O-N 2.88Å; K313-V317 WeakPolarHBondContact O-CG2 3.4Å; K313-V317 PolarHBondContact O-N 2.9Å
314L62.8Low66.2Low89 Ų89101.3 Ų101.347%0.46657%0.571SS.*Hα-helixtrans-66.8-34.4175.9-72.9174.8000112.2P309 Y316 V317 L318P309-L314 HydrophobicContact CB-CD2 4.37Å; P309-L314 HydrophobicContact CB-CG 4.47Å; P309-L314 HydrophobicContact CG-CD2 4.09Å; P309-L314 HydrophobicContact CG-CG 4.49Å; L314-Y316 PolarHBondContact O-N 3.46Å; L314-V317 PolarHBondContact O-N 2.94Å; L314-L318 WeakPolarHBondContact O-CB 3.37Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.34Å; L314-L318 PolarHBondContact O-N 3.5Å
315H69.6Low68.3Low124 Ų12498.4 Ų98.457%0.57456%0.56SS**Hα-helixtrans-63.3-42.4179.1-71.3-72.7000112.1K313 L318 I319K313-H315 VanDerWaalsContact C-N 3.33Å; K313-H315 PolarHBondContact O-N 2.88Å; H315-L318 PolarHBondContact O-N 2.87Å; H315-I319 WeakPolarHBondContact O-CB 3.14Å; H315-I319 WeakPolarHBondContact O-CD1 3.21Å; H315-I319 WeakPolarHBondContact O-CG1 3.36Å; H315-I319 PolarHBondContact O-N 3.25Å
316Y75.5Confident70.8Confident177 Ų17796.1 Ų96.169%0.69455%0.547SS*.Hα-helixtrans-67.1-39.5177.4-67.6-75.3000112.7L314 I319 A320L314-Y316 PolarHBondContact O-N 3.46Å; Y316-I319 PolarHBondContact O-N 3.19Å; Y316-A320 VanDerWaalsContact O-CB 3.31Å; Y316-A320 WeakPolarHBondContact O-CB 3.1Å; Y316-A320 PolarHBondContact O-N 2.79Å
317V78.9Confident73.4Confident98 Ų9891.1 Ų91.159%0.59453%0.532SS*.Hα-helixtrans-66.2-40.6175.9176.40000111.1K313 L314 A320 S321K313-V317 WeakPolarHBondContact O-CG2 3.4Å; K313-V317 PolarHBondContact O-N 2.9Å; L314-V317 PolarHBondContact O-N 2.94Å; V317-A320 PolarHBondContact O-N 3.16Å; V317-S321 WeakPolarHBondContact O-CB 3.13Å; V317-S321 PolarHBondContact O-N 3.47Å
318L81.1Confident75.9Confident103 Ų10391.1 Ų91.154%0.53953%0.532SS..Hα-helixtrans-65.1-44175-74171000111.9L314 H315 S321 I322L314-L318 WeakPolarHBondContact O-CB 3.37Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.34Å; L314-L318 PolarHBondContact O-N 3.5Å; H315-L318 PolarHBondContact O-N 2.87Å; L318-S321 PolarHBondContact O-N 2.87Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.43Å; L318-I322 PolarHBondContact O-N 3.23Å
319I83.3Confident78.5Confident89 Ų8989.8 Ų89.846%0.45652%0.524SS..Hα-helixtrans-61.8-46.9176.4-69.1162.9000110.3H315 Y316 S321 I322 I323H315-I319 WeakPolarHBondContact O-CB 3.14Å; H315-I319 WeakPolarHBondContact O-CD1 3.21Å; H315-I319 WeakPolarHBondContact O-CG1 3.36Å; H315-I319 PolarHBondContact O-N 3.25Å; Y316-I319 PolarHBondContact O-N 3.19Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 2.9Å; I319-I322 PolarHBondContact O-N 3.4Å; I319-I323 HydrophobicContact CG2-CD1 3.7Å; I319-I323 HydrophobicContact CG2-CG1 4.41Å; I319-I323 VanDerWaalsContact O-CG1 3.28Å; I319-I323 WeakPolarHBondContact O-CG1 3.45Å; I319-I323 PolarHBondContact O-N 3.17Å
320A82.4Confident81Confident61 Ų6191.2 Ų91.250%0.50453%0.527SS..Hα-helixtrans-60.7-40.2177.600000112.1Y316 V317 I323 G324Y316-A320 VanDerWaalsContact O-CB 3.31Å; Y316-A320 WeakPolarHBondContact O-CB 3.1Å; Y316-A320 PolarHBondContact O-N 2.79Å; V317-A320 PolarHBondContact O-N 3.16Å; A320-I323 PolarHBondContact O-N 2.91Å; A320-G324 PolarHBondContact O-N 3.48Å
321S91.4Very high83Confident80 Ų8093.8 Ų93.856%0.55953%0.528SS*.Hα-helixtrans-63.8-44.9175.8-177.10000112.4V317 L318 I319 G324 A325V317-S321 WeakPolarHBondContact O-CB 3.13Å; V317-S321 PolarHBondContact O-N 3.47Å; L318-S321 PolarHBondContact O-N 2.87Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 2.9Å; S321-G324 PolarHBondContact O-N 2.94Å; S321-A325 PolarHBondContact O-N 2.71Å
322I94.3Very high84.9Confident103 Ų10392.1 Ų92.153%0.52852%0.516SS..Hα-helixtrans-63.3-44.3177.8-67.8164.2000110.9L318 I319 A325 L326L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.43Å; L318-I322 PolarHBondContact O-N 3.23Å; I319-I322 PolarHBondContact O-N 3.4Å; I322-A325 PolarHBondContact O-N 3.46Å; I322-L326 HydrophobicContact CG2-CD1 4.07Å; I322-L326 WeakPolarHBondContact O-CG 3.29Å; I322-L326 PolarHBondContact O-N 3.32Å
323I91.5Very high86.5Confident89 Ų8993.7 Ų93.746%0.45652%0.516SS..Hα-helixtrans-61.9-46.1176.8-66.2167.9000109.9I319 A320 A325 L326 Q327I319-I323 HydrophobicContact CG2-CD1 3.7Å; I319-I323 HydrophobicContact CG2-CG1 4.41Å; I319-I323 VanDerWaalsContact O-CG1 3.28Å; I319-I323 WeakPolarHBondContact O-CG1 3.45Å; I319-I323 PolarHBondContact O-N 3.17Å; A320-I323 PolarHBondContact O-N 2.91Å; I323-A325 PolarHBondContact O-N 3.18Å; I323-L326 PolarHBondContact O-N 3.11Å; I323-Q327 HydrophobicContact CG2-CG 4.39Å; I323-Q327 VanDerWaalsContact O-CG 3.31Å; I323-Q327 WeakPolarHBondContact O-CG 3.48Å; I323-Q327 PolarHBondContact O-N 3.35Å
324G92.9Very high88.1Confident36 Ų3690.6 Ų90.637%0.37151%0.509SS..Hα-helixtrans-56.8-46.7176.400000112.6A320 S321 Q327 V328A320-G324 PolarHBondContact O-N 3.48Å; S321-G324 PolarHBondContact O-N 2.94Å; G324-Q327 PolarHBondContact O-N 2.97Å; G324-V328 WeakPolarHBondContact O-CG2 3.47Å; G324-V328 PolarHBondContact O-N 2.91Å; G324-V328 VanDerWaalsContact O-N 3.1Å
325A94.8Very high89.5Confident57 Ų5790 Ų9047%0.47151%0.509SS..Hα-helixtrans-63-43.6177.800000112.4S321 I322 I323 Q327 V328 V329S321-A325 PolarHBondContact O-N 2.71Å; I322-A325 PolarHBondContact O-N 3.46Å; I323-A325 PolarHBondContact O-N 3.18Å; A325-Q327 VanDerWaalsContact C-N 3.34Å; A325-Q327 PolarHBondContact O-N 3.44Å; A325-V328 PolarHBondContact O-N 3.38Å; A325-V329 WeakPolarHBondContact O-CG2 3.27Å; A325-V329 PolarHBondContact O-N 3.43Å
326L96.4Very high90.3Very high100 Ų10088.3 Ų88.352%0.52450%0.503SS..Hα-helixtrans-61.2-41.7176.3-77.4170.5000112I322 I323 V329 I330I322-L326 HydrophobicContact CG2-CD1 4.07Å; I322-L326 WeakPolarHBondContact O-CG 3.29Å; I322-L326 PolarHBondContact O-N 3.32Å; I323-L326 PolarHBondContact O-N 3.11Å; L326-V329 PolarHBondContact O-N 2.8Å; L326-I330 VanDerWaalsContact O-CG1 3.3Å; L326-I330 WeakPolarHBondContact O-CG1 3.27Å; L326-I330 PolarHBondContact O-N 3.42Å
327Q95.8Very high90.7Very high102 Ų10283.3 Ų83.348%0.47749%0.493SS..Hα-helixtrans-63.9-42.7177.9-68.1-60.2-13.200112I323 G324 A325 V329 I330 I331I323-Q327 HydrophobicContact CG2-CG 4.39Å; I323-Q327 VanDerWaalsContact O-CG 3.31Å; I323-Q327 WeakPolarHBondContact O-CG 3.48Å; I323-Q327 PolarHBondContact O-N 3.35Å; G324-Q327 PolarHBondContact O-N 2.97Å; A325-Q327 VanDerWaalsContact C-N 3.34Å; A325-Q327 PolarHBondContact O-N 3.44Å; Q327-V329 VanDerWaalsContact C-N 3.33Å; Q327-V329 PolarHBondContact O-N 2.96Å; Q327-I330 PolarHBondContact O-N 3.37Å; Q327-I331 VanDerWaalsContact O-CG1 3.26Å; Q327-I331 WeakPolarHBondContact O-CG1 3.05Å; Q327-I331 PolarHBondContact O-N 3.43Å
328V96.2Very high91Very high90 Ų9083.5 Ų83.555%0.54549%0.49SS..Hα-helixtrans-61.8-41.6176.1174.20000111.2G324 A325 I331 C332G324-V328 WeakPolarHBondContact O-CG2 3.47Å; G324-V328 PolarHBondContact O-N 2.91Å; G324-V328 VanDerWaalsContact O-N 3.1Å; A325-V328 PolarHBondContact O-N 3.38Å; V328-I331 PolarHBondContact O-N 3.41Å; V328-C332 WeakPolarHBondContact O-CB 3.34Å; V328-C332 PolarHBondContact O-N 3.42Å; V328-C332 PolarHBondContact O-SG 3.5Å
329V95.8Very high90.9Very high89 Ų8982.3 Ų82.354%0.53949%0.487SS..Hα-helixtrans-62.5-45176.7171.80000111.3A325 L326 Q327 I331 C332 V333A325-V329 WeakPolarHBondContact O-CG2 3.27Å; A325-V329 PolarHBondContact O-N 3.43Å; L326-V329 PolarHBondContact O-N 2.8Å; Q327-V329 VanDerWaalsContact C-N 3.33Å; Q327-V329 PolarHBondContact O-N 2.96Å; V329-I331 PolarHBondContact O-N 3.3Å; V329-C332 WeakPolarHBondContact O-CB 3.38Å; V329-C332 PolarHBondContact O-N 2.92Å; V329-V333 WeakPolarHBondContact O-CG2 3.24Å; V329-V333 PolarHBondContact O-N 3.35Å
330I94.8Very high90.3Very high90 Ų9086.6 Ų86.646%0.46250%0.498SS..Hα-helixtrans-61.6-46.4178.3-67.8165.1000110.6L326 Q327 C332 V333 V334L326-I330 VanDerWaalsContact O-CG1 3.3Å; L326-I330 WeakPolarHBondContact O-CG1 3.27Å; L326-I330 PolarHBondContact O-N 3.42Å; Q327-I330 PolarHBondContact O-N 3.37Å; I330-C332 VanDerWaalsContact C-N 3.33Å; I330-C332 PolarHBondContact O-N 2.86Å; I330-V333 PolarHBondContact O-N 3.28Å; I330-V334 WeakPolarHBondContact O-CG2 3.32Å; I330-V334 PolarHBondContact O-N 3.48Å
331I94Very high89.4Confident103 Ų10391.8 Ų91.853%0.52851%0.509SS..Hα-helixtrans-59.2-45.7177.3-67.7166.3000110.3Q327 V328 V329 V333 V334 V335Q327-I331 VanDerWaalsContact O-CG1 3.26Å; Q327-I331 WeakPolarHBondContact O-CG1 3.05Å; Q327-I331 PolarHBondContact O-N 3.43Å; V328-I331 PolarHBondContact O-N 3.41Å; V329-I331 PolarHBondContact O-N 3.3Å; I331-V333 PolarHBondContact O-N 3.19Å; I331-V334 PolarHBondContact O-N 2.05Å; I331-V335 HydrophobicContact CG2-CG2 4.41Å; I331-V335 WeakPolarHBondContact O-CG2 3.35Å; I331-V335 PolarHBondContact O-N 2.77Å
332C93.5Very high87.7Confident68 Ų6891.8 Ų91.846%0.45951%0.508SS..Hα-helixtrans-59.5-43176.3-760000112.4V328 V329 I330 V335 L336V328-C332 WeakPolarHBondContact O-CB 3.34Å; V328-C332 PolarHBondContact O-N 3.42Å; V328-C332 PolarHBondContact O-SG 3.5Å; V329-C332 WeakPolarHBondContact O-CB 3.38Å; V329-C332 PolarHBondContact O-N 2.92Å; I330-C332 VanDerWaalsContact C-N 3.33Å; I330-C332 PolarHBondContact O-N 2.86Å; C332-V335 PolarHBondContact O-N 2.73Å; C332-L336 WeakPolarHBondContact O-CB 3.41Å; C332-L336 VanDerWaalsContact O-CG 3.23Å; C332-L336 WeakPolarHBondContact O-CG 3.35Å; C332-L336 PolarHBondContact O-N 2.84Å
333V93.7Very high85.9Confident77 Ų7790.3 Ų90.347%0.46751%0.505SS..Hα-helixtrans-63.2-44.5176.8171.90000111V329 I330 I331 V335 L336 C337V329-V333 WeakPolarHBondContact O-CG2 3.24Å; V329-V333 PolarHBondContact O-N 3.35Å; I330-V333 PolarHBondContact O-N 3.28Å; I331-V333 PolarHBondContact O-N 3.19Å; V333-V335 PolarHBondContact O-N 3.11Å; V333-L336 CarbonylContact O-C 3.13Å; V333-L336 PolarHBondContact O-N 3.18Å; V333-C337 WeakPolarHBondContact O-CB 3.45Å; V333-C337 PolarHBondContact O-N 2.03Å; V333-C337 PolarHBondContact O-SG 3.23Å
334V91.5Very high83.9Confident77 Ų7795.7 Ų95.747%0.46752%0.52SS..Hα-helixtrans-61.4-46.6177.7172.90000110.9I330 I331 L336 C337 I338I330-V334 WeakPolarHBondContact O-CG2 3.32Å; I330-V334 PolarHBondContact O-N 3.48Å; I331-V334 PolarHBondContact O-N 2.05Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 3.33Å; V334-C337 PolarHBondContact O-N 3.26Å; V334-I338 HydrophobicContact CG1-CD1 3.85Å; V334-I338 VanDerWaalsContact O-CG1 3.31Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 2.78Å
335V91.7Very high82Confident77 Ų7798 Ų9847%0.46753%0.526SS..Hα-helixtrans-61.1-43.1176.2173.30000110.8I331 C332 V333 C337 I338 T339I331-V335 HydrophobicContact CG2-CG2 4.41Å; I331-V335 WeakPolarHBondContact O-CG2 3.35Å; I331-V335 PolarHBondContact O-N 2.77Å; C332-V335 PolarHBondContact O-N 2.73Å; V333-V335 PolarHBondContact O-N 3.11Å; V335-C337 PolarHBondContact O-N 3.15Å; V335-I338 PolarHBondContact O-N 3.42Å; V335-T339 HydrophobicContact CG1-CG2 4.2Å; V335-T339 WeakPolarHBondContact O-CB 3.12Å; V335-T339 VanDerWaalsContact O-CG2 3.25Å; V335-T339 WeakPolarHBondContact O-CG2 3.08Å; V335-T339 PolarHBondContact O-N 2.83Å; V335-T339 PolarHBondContact O-OG1 2.9Å
336L87.3Confident80.1Confident88 Ų88100.9 Ų100.946%0.46153%0.534SS..Hα-helixtrans-64.3-37.3175.2-73.8173.2000112.3C332 V333 V334 T339 R340C332-L336 WeakPolarHBondContact O-CB 3.41Å; C332-L336 VanDerWaalsContact O-CG 3.23Å; C332-L336 WeakPolarHBondContact O-CG 3.35Å; C332-L336 PolarHBondContact O-N 2.84Å; V333-L336 CarbonylContact O-C 3.13Å; V333-L336 PolarHBondContact O-N 3.18Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 3.33Å; L336-T339 VanDerWaalsContact CA-OG1 3.31Å; L336-T339 WeakPolarHBondContact CA-OG1 3.41Å; L336-T339 PolarHBondContact O-OG1 3.13Å; L336-R340 WeakPolarHBondContact O-CB 3.47Å; L336-R340 VanDerWaalsContact O-CG 3.28Å; L336-R340 WeakPolarHBondContact O-CG 2.99Å; L336-R340 PolarHBondContact O-N 3.09Å
337C83.6Confident78.1Confident72 Ų72106.3 Ų106.349%0.48655%0.548SS..Hα-helixtrans-67.1-41.2176.3-74.80000111.9V333 V334 V335 K341V333-C337 WeakPolarHBondContact O-CB 3.45Å; V333-C337 PolarHBondContact O-N 2.03Å; V333-C337 PolarHBondContact O-SG 3.23Å; V334-C337 PolarHBondContact O-N 3.26Å; V335-C337 PolarHBondContact O-N 3.15Å; C337-K341 VanDerWaalsContact O-CB 3.3Å; C337-K341 WeakPolarHBondContact O-CB 3.15Å; C337-K341 PolarHBondContact O-N 3.39Å
338I84.9Confident76.2Confident103 Ų103106.1 Ų106.153%0.52855%0.549SS..Hα-helixtrans-67-50.7176.1-65.3166.4000109.8V334 V335 R340 K341 C342V334-I338 HydrophobicContact CG1-CD1 3.85Å; V334-I338 VanDerWaalsContact O-CG1 3.31Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 2.78Å; V335-I338 PolarHBondContact O-N 3.42Å; I338-R340 VanDerWaalsContact C-N 3.28Å; I338-R340 PolarHBondContact O-N 2.68Å; I338-K341 PolarHBondContact O-N 3.32Å; I338-C342 PolarHBondContact O-N 2.92Å
339T78.6Confident74.1Confident77 Ų77106.2 Ų106.247%0.47255%0.546SS..Hα-helixtrans-69.3-20.2-179.257.40000113.5V335 L336 P343V335-T339 HydrophobicContact CG1-CG2 4.2Å; V335-T339 WeakPolarHBondContact O-CB 3.12Å; V335-T339 VanDerWaalsContact O-CG2 3.25Å; V335-T339 WeakPolarHBondContact O-CG2 3.08Å; V335-T339 PolarHBondContact O-N 2.83Å; V335-T339 PolarHBondContact O-OG1 2.9Å; L336-T339 VanDerWaalsContact CA-OG1 3.31Å; L336-T339 WeakPolarHBondContact CA-OG1 3.41Å; L336-T339 PolarHBondContact O-OG1 3.13Å; T339-P343 WeakPolarHBondContact O-CD 2.89Å; T339-P343 VanDerWaalsContact O-CG 3.25Å; T339-P343 WeakPolarHBondContact O-CG 3.07Å
340R70.2Confident72.1Confident180 Ų180111.5 Ų111.568%0.67956%0.556SS**Hα-helixtrans-93.1-22.9171.1-72.4-172.1163.8149.6-1114.5L336 I338 P343L336-R340 WeakPolarHBondContact O-CB 3.47Å; L336-R340 VanDerWaalsContact O-CG 3.28Å; L336-R340 WeakPolarHBondContact O-CG 2.99Å; L336-R340 PolarHBondContact O-N 3.09Å; I338-R340 VanDerWaalsContact C-N 3.28Å; I338-R340 PolarHBondContact O-N 2.68Å; R340-P343 VanDerWaalsContact C-CD 3.43Å; R340-P343 VanDerWaalsContact O-CD 3.31Å; R340-P343 WeakPolarHBondContact O-CD 3.06Å; R340-P343 VanDerWaalsContact O-CG 3.32Å; R340-P343 WeakPolarHBondContact O-CG 3.15Å
341K64.6Low70.1Confident169 Ų169114.3 Ų114.374%0.73557%0.568SS**Hα-helixtrans-71-34.4169.9-91.5-172.1172.1178.70112.4C337 I338C337-K341 VanDerWaalsContact O-CB 3.3Å; C337-K341 WeakPolarHBondContact O-CB 3.15Å; C337-K341 PolarHBondContact O-N 3.39Å; I338-K341 PolarHBondContact O-N 3.32Å
342C56.3Low68.1Low80 Ų80116.7 Ų116.754%0.54157%0.574SS.*Hα-helixtrans-65.7-38.3176.1-71.10000116.1I338I338-C342 PolarHBondContact O-N 2.92Å
343P56.8Low66.2Low73 Ų73121.3 Ų121.347%0.47459%0.589SS.*Hα-helixtrans-76.2-24.2177.824.8-34.3000113.2T339 R340 R347T339-P343 WeakPolarHBondContact O-CD 2.89Å; T339-P343 VanDerWaalsContact O-CG 3.25Å; T339-P343 WeakPolarHBondContact O-CG 3.07Å; R340-P343 VanDerWaalsContact C-CD 3.43Å; R340-P343 VanDerWaalsContact O-CD 3.31Å; R340-P343 WeakPolarHBondContact O-CD 3.06Å; R340-P343 VanDerWaalsContact O-CG 3.32Å; R340-P343 WeakPolarHBondContact O-CG 3.15Å; P343-R347 PolarHBondContact O-N 2.67Å
344R48.5Very low64.2Low202 Ų202124.5 Ų124.576%0.76260%0.604SS**Hα-helixtrans-73.1-35.6-178.5-133.5176.8-177.2154.60.1112.5R347R344-R347 PolarHBondContact O-N 3.14Å
345T53.6Low62.3Low83 Ų83127.8 Ų127.851%0.50962%0.618SS.*Hα-helixtrans-68.5-37.4174.4-69.50000112.7R347 I348 N349T345-R347 VanDerWaalsContact C-N 3.3Å; T345-R347 PolarHBondContact O-N 2.05Å; T345-I348 PolarHBondContact O-N 3.06Å; T345-N349 PolarHBondContact O-N 2.76Å
346N53.9Low60.2Low118 Ų118129.9 Ų129.963%0.63163%0.631SS**Hα-helixtrans-70.3-23.2179.4-78.3-17.6000113.6
347R54.4Low58.4Low215 Ų215134.6 Ų134.681%0.81165%0.65SS**Hα-helixtrans-75.6-39.1173.4-113.5-178.6178.4176.2-0.2112.8P343 R344 T345 R350 Q351P343-R347 PolarHBondContact O-N 2.67Å; R344-R347 PolarHBondContact O-N 3.14Å; T345-R347 VanDerWaalsContact C-N 3.3Å; T345-R347 PolarHBondContact O-N 2.05Å; R347-R350 PolarHBondContact O-N 2Å; R347-Q351 PolarHBondContact O-N 3.3Å
348I55.4Low56.5Low98 Ų98140.8 Ų140.850%0.50367%0.67SS.*Hα-helixtrans-71-35.9-177.3-63.8168.2000111.4T345 R350 K352T345-I348 PolarHBondContact O-N 3.06Å; I348-R350 PolarHBondContact O-N 3.1Å; I348-K352 PolarHBondContact O-N 3.4Å
349N53.9Low54.2Low92 Ų92141 Ų14149%0.49268%0.68SS.*Hα-helixtrans-72.3-26.4177.6-73-15.3000113.4T345 Q353T345-N349 PolarHBondContact O-N 2.76Å; N349-Q353 PolarHBondContact O-N 3.38Å
350R53Low52.2Low199 Ų199142.4 Ų142.475%0.75169%0.693SS**Hα-helixtrans-74.5-31.1177.2-138.7175.8178.8-170.8-1.7112.5R347 I348R347-R350 PolarHBondContact O-N 2Å; I348-R350 PolarHBondContact O-N 3.1Å
351Q52.6Low50.6Low149 Ų149142.3 Ų142.370%0.69670%0.7SS**Hα-helixtrans-74.5-28.5174.3-112.3178.7-21.600113.1R347R347-Q351 PolarHBondContact O-N 3.3Å
352K52Low49.2Very low154 Ų154141.6 Ų141.667%0.6771%0.705SS**Hα-helixtrans-77.5-25.8175.8-84.6-173.7174.7-175.20114.2I348I348-K352 PolarHBondContact O-N 3.4Å
353Q54.6Low48.5Very low164 Ų164144.2 Ų144.277%0.76672%0.718SS**Hα-helixtrans-78-27.2175-87-178.1-2500113.8N349N349-Q353 PolarHBondContact O-N 3.38Å
354N51.6Low47.6Very low145 Ų145149 Ų14978%0.77574%0.736SS**THydrogen-bonded Turntrans-85.7-6-178.6-88.53.4000115.1
355N51.5Low47.4Very low145 Ų145151.2 Ų151.278%0.77575%0.745SS**THydrogen-bonded Turntrans-113.816.8-175.4-99.5-37.4000114.4
356V47.2Very low46.7Very low121 Ų121151.7 Ų151.773%0.73376%0.757SS**SBendtrans-123.410.1-177.7-174.60000112.9
357H48.1Very low46Very low187 Ų187151 Ų15187%0.86676%0.761SS**  trans-123.246.1179.6-128.8-61.9000114
358F44Very low45.3Very low203 Ų203146.3 Ų146.389%0.8976%0.757SS**  trans-143.586.5165.1-155.5-91.9000110.8
359S36.3Very low44.6Very low107 Ų107152.6 Ų152.675%0.74877%0.774SS**  176.2147.2126.4-156.80000111.8
360S36.7Very low43.9Very low106 Ų106155.5 Ų155.574%0.74179%0.789SS**  trans72.792.3167.3-79.70000119.2
361E38Very low43.5Very low179 Ų179156.9 Ų156.984%0.83681%0.809SS**  -172.9109.8110.2-110.2173.811400110.4
362N34.3Very low43Very low154 Ų154157.3 Ų157.382%0.82482%0.815SS**  169.495122.3-87-16.6000110.7
363T41.2Very low42.5Very low134 Ų134157.5 Ų157.582%0.82282%0.822SS**  trans-73.9151.3147.739.10000109.4
364M39.5Very low41.9Very low175 Ų175157.1 Ų157.186%0.86283%0.825SS**  trans84.2102173.9-61.9-162.4173.300118.3
365R43.8Very low41.3Very low248 Ų248157.8 Ų157.894%0.93683%0.828SS**  -161.7144.1100.7-103.1175.4-170.191.3-3.7111.8
366A37.9Very low40.7Very low93 Ų93158.6 Ų158.677%0.76983%0.832SS**  trans-77.5151.9-168.100000113.6
367S39Very low40.2Very low102 Ų102161.1 Ų161.171%0.71384%0.838SS**  53129.5123.4-154.20000120.5
368T40.2Very low39.7Very low118 Ų118159.3 Ų159.372%0.72484%0.836SS**  trans95.9123.4137.713.20000121.8
369R41.5Very low39.3Very low229 Ų229155.9 Ų155.986%0.86483%0.832SS**  trans82.2121.7150.9-68.5-166.6175.6-171.4-0.7118.8
370L39.9Very low39.6Very low154 Ų154160 Ų16081%0.80684%0.839SS**  -162.8113.3107.6-87.9155.2000106.9
371I43.2Very low39.9Very low228 Ų228164.9 Ų164.9100%1.16985%0.848SS**  73.40116.8-61.8176.6000113

Retrieved 371 of 371 residues in 172.3 ms (Link to these results)