A0A087XHA3_POEFO Loading...

Serum response factor-binding protein 1

May be involved in regulating transcriptional activation of cardiac genes during the aging process. May play a role in biosynthesis and/or processing of SLC2A4 in adipose cells.

AlphaFold DB , UniProt , Accession A0A087XHA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 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
1M37.2Very low44.4Very low236 Ų236157.5 Ų157.5100%1.16384%0.838SS**  0139.20-77.2166.8166.700107.6
2I40.8Very low44Very low148 Ų148159.7 Ų159.776%0.75984%0.839SS**  trans40.9109.7162.6-46175.7000117.2T4I2-T4 HydrophobicContact CG2-CG2 4.32Å
3N42.2Very low44.2Very low169 Ų169160.7 Ų160.790%0.90484%0.837SS**  trans-132.8111.9140.5-96.6-16.4000106.2
4T47.6Very low43.9Very low114 Ų114161.5 Ų161.570%0.69984%0.835SS**  trans-75.5120.3170.845.30000108.4I2I2-T4 HydrophobicContact CG2-CG2 4.32Å
5E45.7Very low43.9Very low179 Ų179162.5 Ų162.584%0.83683%0.834SS**  57.6101.887.3-67.3-172155.500112.9
6Q48.3Very low43.5Very low199 Ų199162.7 Ų162.793%0.9383%0.83SS**  trans-120.3143.8148.3-109-173.6-400108
7T37.9Very low43.1Very low128 Ų128161.4 Ų161.479%0.78583%0.825SS**  trans-101143.6-157.8190000114
8F44.5Very low43.2Very low211 Ų211163.2 Ų163.293%0.92583%0.83SS**  trans-128.1108.4160.4-84.5-79.8000109.6
9P50.8Low42.9Very low114 Ų114163.4 Ų163.474%0.7483%0.829SS**  trans-93.4169.4164.835.2-27.3000111.1
10P48.8Very low42.9Very low115 Ų115164.3 Ų164.375%0.74783%0.83SS**  -128.3-179.7-127.442.1-29.3000116.3
11V45Very low42.7Very low120 Ų120165 Ų16573%0.72783%0.831SS**  trans35124.2144.1174.10000118.6
12E39.3Very low42.7Very low183 Ų183161.7 Ų161.786%0.85581%0.813SS**  -143.4142.3127.4-128.4161.9-142.500110.4
13E46.3Very low42.4Very low173 Ų173162.3 Ų162.381%0.80882%0.817SS**  trans-94.4150.4176.1-64.1171.9134.800108.9
14Q39.6Very low42.3Very low172 Ų172162.6 Ų162.680%0.80481%0.813SS**  trans-153.8134.3162.4-133.6144.49900111.8
15E44.2Very low42Very low176 Ų176166.2 Ų166.282%0.82282%0.822SS**  trans-82.4148.9-178.5-60.3153.6129.400110.4
16Q37.8Very low41.5Very low166 Ų166164.6 Ų164.678%0.77682%0.819SS**  trans-159.299.7152.4-121.3133.8105.800110.9
17D36.6Very low40.9Very low140 Ų140162.2 Ų162.275%0.74981%0.813SS**  trans56112.2131.4-49.5-24.3000119.7
18E45.7Very low41.1Very low194 Ų194164.4 Ų164.491%0.90781%0.814SS**  trans-64.4139.3154.3-60.8169.9141.200109.2
19M36.3Very low40.8Very low167 Ų167163 Ų16382%0.82381%0.81SS**  trans-140110.9164-154.8175-60.200108.6
20E43.1Very low40.2Very low182 Ų182166 Ų16685%0.8582%0.815SS**  trans-78.8126.3169.4-62.1176121.500107.4
21E39.5Very low39.5Very low178 Ų178168.4 Ų168.483%0.83282%0.816SS**  trans-101111.9163.3-77.4-169.3144.100108.1
22E37.2Very low38.9Very low168 Ų168167.1 Ų167.179%0.78582%0.818SS**  trans-85.1104.4172.4-62.8-179.5119.800108.6E24E22-E24 PolarHBondContact O-N 3.1Å
23D34.8Very low38.5Very low160 Ų160163.5 Ų163.586%0.85681%0.809SS**  trans-71.872.4170.8-81.6-35.8000110.4E25D23-E25 PolarHBondContact O-N 3.45Å
24E40.1Very low37.8Very low175 Ų175160.8 Ų160.882%0.81881%0.809SS**  trans-77.382163.5-70.9-161.5138.200110.3E22 D26E22-E24 PolarHBondContact O-N 3.1Å; E24-D26 PolarHBondContact O-N 3.41Å
25E41.1Very low37.5Very low191 Ų191157.5 Ų157.589%0.89381%0.805SS**  trans-84.691.3159.6-77.1-166.5151.200109.7D23D23-E25 PolarHBondContact O-N 3.45Å
26D35.7Very low36.8Very low145 Ų145155.5 Ų155.578%0.77580%0.8SS**  trans-75.2130.5165.6-166.318.6000109.8E24E24-D26 PolarHBondContact O-N 3.41Å
27D35.2Very low36.7Very low148 Ų148154.8 Ų154.879%0.79180%0.801SS**  trans-138.158.7-170-160.224.2000110.7E29D27-E29 PolarHBondContact O-N 3.18Å
28E41.3Very low36.5Very low175 Ų175154.6 Ų154.682%0.81880%0.8SS**  trans-7490.7170.2-71.8-160144.800111.9
29E38.8Very low35.8Very low180 Ų180152.5 Ų152.584%0.84180%0.795SS**  trans-123.891.1158.7-79.9-152.1158.900113.6D27D27-E29 PolarHBondContact O-N 3.18Å
30E38.4Very low35.7Very low179 Ų179152 Ų15284%0.83680%0.796SS**  trans41.1128.1131.9-75.1-72.3-173.200122.1A32E30-A32 PolarHBondContact O-N 2.64Å; E30-A32 VanDerWaalsContact O-N 3.11Å
31E33.1Very low35.2Very low164 Ų164150.4 Ų150.477%0.76679%0.793SS**  trans-79.889.2174.2-81.4-150.2172.600113.8T33E31-T33 HydrophobicContact CB-CG2 4.4Å; E31-T33 PolarHBondContact O-N 3.01Å
32A32.5Very low35.1Very low93 Ų93151 Ų15177%0.76980%0.796SS**  trans-78.873.6167.900000113.1E30 S34E30-A32 PolarHBondContact O-N 2.64Å; E30-A32 VanDerWaalsContact O-N 3.11Å; A32-S34 PolarHBondContact O-N 3.31Å
33T31.9Very low35Very low108 Ų108151.9 Ų151.966%0.66380%0.8SS**  trans-75.480.6-177.347.40000114.8E31 S35E31-T33 HydrophobicContact CB-CG2 4.4Å; E31-T33 PolarHBondContact O-N 3.01Å; T33-S35 PolarHBondContact O-N 3.01Å
34S31Very low34.8Very low116 Ų116153.6 Ų153.681%0.81180%0.803SS**  trans-84.191.2172.947.40000113.2A32 D36A32-S34 PolarHBondContact O-N 3.31Å; S34-D36 PolarHBondContact O-N 3.29Å
35S34.1Very low34.4Very low103 Ų103154 Ų15472%0.7281%0.805SS**  trans-83.581.6175.6-66.10000112.4T33 N37T33-S35 PolarHBondContact O-N 3.01Å; S35-N37 VanDerWaalsContact C-N 3.25Å; S35-N37 PolarHBondContact O-N 2.91Å
36D29.8Very low34Very low134 Ų134149.7 Ų149.772%0.71780%0.801SS**  trans-78.767.5-179.5-151.6-30.5000112.7S34 N38S34-D36 PolarHBondContact O-N 3.29Å; D36-N38 PolarHBondContact O-N 2.91Å; D36-N38 PolarHBondContact O-ND2 2.87Å; D36-N38 PolarHBondContact OD1-ND2 3.44Å
37N34.3Very low33.7Very low150 Ų150146.5 Ų146.580%0.80280%0.803SS**  trans-75.885.1176.5-88.4-21.5000111S35 N39S35-N37 VanDerWaalsContact C-N 3.25Å; S35-N37 PolarHBondContact O-N 2.91Å; N37-N39 VanDerWaalsContact C-N 3.34Å; N37-N39 PolarHBondContact O-N 2.85Å
38N32.5Very low33.4Very low137 Ų137143.7 Ų143.773%0.73381%0.809SS**  trans-73.889.7167.7-71.3-92.1000109.6D36D36-N38 PolarHBondContact O-N 2.91Å; D36-N38 PolarHBondContact O-ND2 2.87Å; D36-N38 PolarHBondContact OD1-ND2 3.44Å
39N31.5Very low32.9Very low149 Ų149139.1 Ų139.180%0.79781%0.809SS**  trans-97.297.2168.2-175.691.4000108.1N37N37-N39 VanDerWaalsContact C-N 3.34Å; N37-N39 PolarHBondContact O-N 2.85Å
40D34.6Very low32.7Very low156 Ų156140.4 Ų140.483%0.83481%0.812SS**PPolyproline II helixtrans-60.2148.3179.4-97-44.4000112.2
41D32.2Very low32.4Very low149 Ų149141.4 Ų141.480%0.79782%0.817SS**PPolyproline II helixtrans-91.4118.9-173.1-163.527.2000109.9
42E36.6Very low32.5Very low191 Ų191138.4 Ų138.489%0.89382%0.82SS**PPolyproline II helixtrans-92.1120.8169.3-82.5-160.5156.300110
43E35.3Very low32.5Very low187 Ų187141.4 Ų141.487%0.87482%0.818SS**PPolyproline II helixtrans-62143.7-173.4-64.5-177.5124.200113.4
44Q32Very low33.1Very low195 Ų195141.8 Ų141.891%0.91182%0.822SS**PPolyproline II helixtrans-76.6127175.7-60.9173.91200111.1
45E31.7Very low33.3Very low185 Ų185140.8 Ų140.886%0.86482%0.815SS**  trans-107.8143.5160.9-100.2-69.2-166.500111.2
46A32.1Very low33.3Very low99 Ų99141.5 Ų141.582%0.81882%0.82SS**  trans-102.2114.5-159.100000113.6
47G29.1Very low33.5Very low79 Ų79140.2 Ų140.281%0.81483%0.828SS**  trans-124.989.1174.500000112.5
48G28.8Very low33.7Very low89 Ų89137.3 Ų137.392%0.91883%0.825SS**  trans-79.7125-176.100000114.3
49G30.8Very low34.1Very low79 Ų79139 Ų13981%0.81483%0.828SS**  trans-161.497171.500000112
50K34.9Very low34.4Very low206 Ų206140.8 Ų140.890%0.89683%0.832SS**  trans-79130171.9-71.7-178.7175.5-178.70110.1
51E32.4Very low34.8Very low201 Ų201142 Ų14294%0.93983%0.83SS**  -145.7179.5124.9-73.4-142.7141.300107.9
52A33.9Very low35.4Very low100 Ų100143.8 Ų143.883%0.82683%0.83SS**  trans-96.8148.8-15100000117.9
53E33Very low35.6Very low157 Ų157140.4 Ų140.473%0.73483%0.825SS**  trans-41.7148.6157.1-82.9-72149.500113.8S55E53-S55 PolarHBondContact OE2-N 3.26Å
54P44.1Very low36.3Very low115 Ų115135.4 Ų135.475%0.74781%0.811SS**  -144.9122.97136.3-16.6000118.5
55S36Very low37.5Very low95 Ų95132.4 Ų132.466%0.66480%0.801SS**  4499.6128.971.40000119.8E53E53-S55 PolarHBondContact OE2-N 3.26Å
56S34.1Very low39Very low118 Ų118128.3 Ų128.383%0.82579%0.788SS**  trans-160.260.8145.960.80000112.2A58S56-A58 VanDerWaalsContact C-N 3.29Å; S56-A58 PolarHBondContact O-N 2.81Å
57A33.1Very low40.8Very low108 Ų108126.7 Ų126.789%0.89377%0.766SS**  trans-71.983.2171.800000110.5E59A57-E59 PolarHBondContact O-N 3.18Å
58A38.4Very low43.5Very low89 Ų89127 Ų12774%0.73675%0.749SS**  trans-68.5114.2167.200000108.8S56 E60S56-A58 VanDerWaalsContact C-N 3.29Å; S56-A58 PolarHBondContact O-N 2.81Å; A58-E60 PolarHBondContact O-N 3.04Å
59E40.8Very low46.3Very low171 Ų171126.5 Ų126.580%0.79973%0.725SS**  trans-62.5101.6164.1-76.3-165.3125.700108.7A57 K61A57-E59 PolarHBondContact O-N 3.18Å; E59-K61 PolarHBondContact O-N 3.15Å
60E39.1Very low49.1Very low187 Ų187127.9 Ų127.987%0.87471%0.714SS**  trans-63.588159.7-73.1-162.2150.800108.2A58 K62A58-E60 PolarHBondContact O-N 3.04Å; E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 3.28Å
61K42.7Very low51.8Low181 Ų181122.2 Ų122.279%0.78769%0.693SS**  trans-53.4103.6163.4-72.4-176.1177.8-179.70106.9E59E59-K61 PolarHBondContact O-N 3.15Å
62K44.3Very low54.7Low187 Ų187114.1 Ų114.181%0.81366%0.655SS**  trans-44.6126.8172.5-67.5174.9-177.8170.50106.9E60 S64E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 3.28Å; K62-S64 PolarHBondContact O-N 3.29Å
63P41.5Very low57.5Low120 Ų120110.1 Ų110.178%0.77962%0.62SS**  trans-53.1131.7-179.123-33.4000107.7D65P63-D65 PolarHBondContact O-N 2.94Å
64S49.7Very low60.4Low83 Ų83105.5 Ų105.558%0.5860%0.603SS**  trans-48.3119.4-175.835.10000108.6K62 V66K62-S64 PolarHBondContact O-N 3.29Å; S64-V66 WeakPolarHBondContact O-CG2 3.35Å; S64-V66 PolarHBondContact O-N 3Å
65D57.9Low62.7Low131 Ų131105.6 Ų105.670%0.70159%0.591SS**  trans-61.399.1-170.9-175.114.7000108.1P63 L67P63-D65 PolarHBondContact O-N 2.94Å; D65-L67 VanDerWaalsContact C-N 3.27Å; D65-L67 WeakPolarHBondContact O-CG 2.92Å; D65-L67 PolarHBondContact O-N 3.48Å
66V61.8Low65.5Low99 Ų99101.4 Ų101.460%0.656%0.561SS**  trans-71.789.8-165-177.20000107.1S64 N68 F183S64-V66 WeakPolarHBondContact O-CG2 3.35Å; S64-V66 PolarHBondContact O-N 3Å; V66-N68 VanDerWaalsContact C-N 3.35Å; V66-N68 PolarHBondContact O-N 3.05Å; V66-F183 HydrophobicContact CG1-CE2 4.41Å; V66-F183 HydrophobicContact CG1-CZ 4.45Å
67L69.8Low68.4Low66 Ų66100.6 Ų100.635%0.34654%0.54SS..  trans-5896.6-166.4-68.9-167.6000111D65 L69 A179D65-L67 VanDerWaalsContact C-N 3.27Å; D65-L67 WeakPolarHBondContact O-CG 2.92Å; D65-L67 PolarHBondContact O-N 3.48Å; L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.11Å; L67-A179 HydrophobicContact CD1-CB 3.37Å; L67-A179 HydrophobicContact CG-CB 4.41Å
68N86.9Confident71.4Confident85 Ų85102.9 Ų102.946%0.45553%0.53SS..  trans-69.397.5171.8-177.9-20.1000107V66 N70 N71 E72V66-N68 VanDerWaalsContact C-N 3.35Å; V66-N68 PolarHBondContact O-N 3.05Å; N68-N70 PolarHBondContact O-N 3.34Å; N68-N70 WeakPolarHBondContact OD1-CB 3.5Å; N68-N70 PolarHBondContact OD1-N 2.81Å; N68-N71 HydrophobicContact CB-CB 4.15Å; N68-N71 WeakPolarHBondContact O-CA 3.11Å; N68-N71 WeakPolarHBondContact O-CB 3.42Å; N68-N71 PolarHBondContact O-N 2.82Å; N68-E72 PolarHBondContact O-N 2.88Å; N68-E72 VanDerWaalsContact O-N 3.12Å
69L86.9Confident74.1Confident78 Ų7899.9 Ų99.941%0.40850%0.501SS..Hα-helixtrans-51.8-32.1-176.1-172.363.7000112.6L67 E72 V73 L138 I176 V180L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.11Å; L69-E72 PolarHBondContact O-N 2.85Å; L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.39Å; L69-V73 PolarHBondContact O-N 3.03Å; L69-L138 HydrophobicContact CD1-CD1 3.99Å; L69-I176 HydrophobicContact CD1-CG2 3.57Å; L69-V180 HydrophobicContact CD1-CG2 4.38Å
70N90.8Very high76.8Confident109 Ų10991.8 Ų91.858%0.58346%0.463SS*.Hα-helixtrans-66.5-42.9175.4-167.721.6000111.8N68 E72 V73 V74N68-N70 PolarHBondContact O-N 3.34Å; N68-N70 WeakPolarHBondContact OD1-CB 3.5Å; N68-N70 PolarHBondContact OD1-N 2.81Å; N70-E72 VanDerWaalsContact C-N 3.33Å; N70-E72 PolarHBondContact O-N 3.09Å; N70-V73 PolarHBondContact O-N 3.41Å; N70-V74 VanDerWaalsContact O-CG2 3.32Å; N70-V74 WeakPolarHBondContact O-CG2 3.43Å; N70-V74 PolarHBondContact O-N 2.78Å
71N91.6Very high79.5Confident87 Ų8789.2 Ų89.247%0.46545%0.449SS..Hα-helixtrans-64.1-38.2175.3-68.2-8.7000111.5N68 V74 K75N68-N71 HydrophobicContact CB-CB 4.15Å; N68-N71 WeakPolarHBondContact O-CA 3.11Å; N68-N71 WeakPolarHBondContact O-CB 3.42Å; N68-N71 PolarHBondContact O-N 2.82Å; N71-V74 PolarHBondContact O-N 3.1Å; N71-K75 WeakPolarHBondContact O-CG 3.25Å; N71-K75 PolarHBondContact O-N 3Å
72E91.6Very high82.1Confident31 Ų3187.3 Ų87.315%0.14544%0.437CS..Hα-helixtrans-66.4-44.2173.3-66.8-44.9122.200112.3N68 L69 N70 V74 K75 M76 I176N68-E72 PolarHBondContact O-N 2.88Å; N68-E72 VanDerWaalsContact O-N 3.12Å; L69-E72 PolarHBondContact O-N 2.85Å; N70-E72 VanDerWaalsContact C-N 3.33Å; N70-E72 PolarHBondContact O-N 3.09Å; E72-V74 VanDerWaalsContact C-N 3.26Å; E72-V74 PolarHBondContact O-N 3.25Å; E72-K75 WeakPolarHBondContact O-CB 3.28Å; E72-K75 PolarHBondContact O-N 2.91Å; E72-K75 VanDerWaalsContact O-N 3.08Å; E72-K75 VanDerWaalsContact OE1-CD 3.32Å; E72-K75 WeakPolarHBondContact OE1-CD 3.34Å; E72-K75 WeakPolarHBondContact OE1-CE 3.34Å; E72-K75 IonicContact OE1-NZ 2.94Å; E72-K75 PolarHBondContact OE1-NZ 2.79Å; E72-K75 VanDerWaalsContact OE2-CD 3.22Å; E72-K75 WeakPolarHBondContact OE2-CD 3.49Å; E72-K75 IonicContact OE2-NZ 3.49Å; E72-M76 WeakPolarHBondContact O-CB 3.33Å; E72-M76 VanDerWaalsContact O-CG 3.27Å; E72-M76 WeakPolarHBondContact O-CG 3.46Å; E72-M76 PolarHBondContact O-N 2.75Å; E72-I176 HydrophobicContact CB-CD1 4Å; E72-I176 HydrophobicContact CB-CG1 4.39Å; E72-I176 HydrophobicContact CG-CG1 4.48Å
73V93.1Very high84.6Confident16 Ų1678.6 Ų78.610%0.09740%0.399CS..Hα-helixtrans-56.3-42.5173169.40000111L69 N70 M76 R77 D131 T134 L138L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.39Å; L69-V73 PolarHBondContact O-N 3.03Å; N70-V73 PolarHBondContact O-N 3.41Å; V73-M76 PolarHBondContact O-N 3.1Å; V73-R77 PolarHBondContact O-N 2.87Å; V73-D131 HydrophobicContact CG1-CB 4.47Å; V73-T134 HydrophobicContact CB-CG2 4.38Å; V73-T134 HydrophobicContact CG1-CG2 4.36Å; V73-T134 HydrophobicContact CG2-CG2 3.94Å; V73-L138 HydrophobicContact CG2-CD1 3.92Å
74V93.8Very high87.2Confident60 Ų6074.6 Ų74.636%0.36437%0.369SS..Hα-helixtrans-65.2-38.2175.6172.30000112.6N70 N71 E72 R77N70-V74 VanDerWaalsContact O-CG2 3.32Å; N70-V74 WeakPolarHBondContact O-CG2 3.43Å; N70-V74 PolarHBondContact O-N 2.78Å; N71-V74 PolarHBondContact O-N 3.1Å; E72-V74 VanDerWaalsContact C-N 3.26Å; E72-V74 PolarHBondContact O-N 3.25Å; V74-R77 VanDerWaalsContact O-CB 3.31Å; V74-R77 WeakPolarHBondContact O-CB 3.24Å; V74-R77 WeakPolarHBondContact O-CG 2.94Å; V74-R77 PolarHBondContact O-N 3.46Å
75K93Very high89.4Confident117 Ų11773.4 Ų73.451%0.50937%0.365SS..Hα-helixtrans-63.1-45.1171.6-73.6164.6176.5177.40110.9N71 E72 R77 K78N71-K75 WeakPolarHBondContact O-CG 3.25Å; N71-K75 PolarHBondContact O-N 3Å; E72-K75 WeakPolarHBondContact O-CB 3.28Å; E72-K75 PolarHBondContact O-N 2.91Å; E72-K75 VanDerWaalsContact O-N 3.08Å; E72-K75 VanDerWaalsContact OE1-CD 3.32Å; E72-K75 WeakPolarHBondContact OE1-CD 3.34Å; E72-K75 WeakPolarHBondContact OE1-CE 3.34Å; E72-K75 IonicContact OE1-NZ 2.94Å; E72-K75 PolarHBondContact OE1-NZ 2.79Å; E72-K75 VanDerWaalsContact OE2-CD 3.22Å; E72-K75 WeakPolarHBondContact OE2-CD 3.49Å; E72-K75 IonicContact OE2-NZ 3.49Å; K75-R77 PolarHBondContact O-N 2.92Å; K75-K78 PolarHBondContact O-N 3.1Å; K75-K78 VanDerWaalsContact O-N 3.16Å
76M95.3Very high91.3Very high6 Ų671.2 Ų71.23%0.0335%0.353CS..Hα-helixtrans-62.4-21.4-179.5-68.9-56.3-70.200113.6E72 V73 K78 E79 V80 T134 F169 K172 I173 I176E72-M76 WeakPolarHBondContact O-CB 3.33Å; E72-M76 VanDerWaalsContact O-CG 3.27Å; E72-M76 WeakPolarHBondContact O-CG 3.46Å; E72-M76 PolarHBondContact O-N 2.75Å; V73-M76 PolarHBondContact O-N 3.1Å; M76-K78 PolarHBondContact O-N 2.99Å; M76-K78 VanDerWaalsContact O-N 3.14Å; M76-E79 HydrophobicContact CE-CB 4.09Å; M76-E79 HydrophobicContact CE-CG 4.37Å; M76-E79 WeakPolarHBondContact O-CA 3.16Å; M76-E79 WeakPolarHBondContact O-CB 3.47Å; M76-E79 PolarHBondContact O-N 3.11Å; M76-E79 HydrophobicContact SD-CB 4.33Å; M76-E79 HydrophobicContact SD-CG 4.01Å; M76-V80 PolarHBondContact O-N 3.46Å; M76-T134 HydrophobicContact CB-CG2 3.69Å; M76-T134 HydrophobicContact CG-CG2 4.03Å; M76-F169 HydrophobicContact CE-CD2 3.28Å; M76-F169 HydrophobicContact CE-CE2 3.33Å; M76-F169 HydrophobicContact CE-CG 4.3Å; M76-F169 HydrophobicContact CE-CZ 4.39Å; M76-K172 HydrophobicContact CE-CB 3.7Å; M76-K172 HydrophobicContact CE-CD 4.28Å; M76-K172 HydrophobicContact SD-CB 3.84Å; M76-K172 HydrophobicContact SD-CD 3.96Å; M76-I173 HydrophobicContact CE-CD1 4.42Å; M76-I173 HydrophobicContact CE-CG1 4.5Å; M76-I176 HydrophobicContact CG-CD1 4.09Å; M76-I176 HydrophobicContact SD-CD1 4.4Å
77R95.4Very high92.9Very high101 Ų10167 Ų6738%0.38133%0.326SS..Hα-helixtrans-49.2-38.8169.9-68.7174.3169.1170.9-3.9113.4V73 V74 K75 K81 P130 D131V73-R77 PolarHBondContact O-N 2.87Å; V74-R77 VanDerWaalsContact O-CB 3.31Å; V74-R77 WeakPolarHBondContact O-CB 3.24Å; V74-R77 WeakPolarHBondContact O-CG 2.94Å; V74-R77 PolarHBondContact O-N 3.46Å; K75-R77 PolarHBondContact O-N 2.92Å; R77-K81 WeakPolarHBondContact O-CB 3.4Å; R77-K81 VanDerWaalsContact O-CG 3.23Å; R77-K81 WeakPolarHBondContact O-CG 3.43Å; R77-K81 PolarHBondContact O-N 3Å; R77-P130 HydrophobicContact CB-CB 4.31Å; R77-P130 HydrophobicContact CG-CB 4.2Å; R77-D131 WeakPolarHBondContact CG-OD1 3.4Å; R77-D131 IonicContact CZ-OD1 2.64Å; R77-D131 IonicContact CZ-OD2 3.29Å; R77-D131 VanDerWaalsContact CZ-OD2 3.28Å; R77-D131 VanDerWaalsContact NE-CG 3.34Å; R77-D131 IonicContact NE-OD1 2.73Å; R77-D131 PolarHBondContact NE-OD1 2.86Å; R77-D131 IonicContact NE-OD2 2.74Å; R77-D131 PolarHBondContact NE-OD2 2.8Å; R77-D131 VanDerWaalsContact NE-OD2 3.07Å; R77-D131 IonicContact NH2-OD1 2.68Å; R77-D131 IonicContact NH2-OD2 2.88Å; R77-D131 PolarHBondContact NH2-OD2 2.99Å
78K95.5Very high94.2Very high157 Ų15765.3 Ų65.368%0.68332%0.318SS*.Hα-helixtrans-69.7-41.4177.7-68.6-179.1179.6176.80111K75 M76 K81 R82K75-K78 PolarHBondContact O-N 3.1Å; K75-K78 VanDerWaalsContact O-N 3.16Å; M76-K78 PolarHBondContact O-N 2.99Å; M76-K78 VanDerWaalsContact O-N 3.14Å; K78-K81 PolarHBondContact O-N 3.35Å; K78-R82 WeakPolarHBondContact O-CG 3.45Å; K78-R82 PolarHBondContact O-N 3.46Å
79E95.3Very high94.7Very high25 Ų2569.4 Ų69.412%0.11733%0.327CS..Hα-helixtrans-67.5-48.8-179.1-52.8-54.59000111.4M76 K81 R82 V83 K172M76-E79 HydrophobicContact CE-CB 4.09Å; M76-E79 HydrophobicContact CE-CG 4.37Å; M76-E79 WeakPolarHBondContact O-CA 3.16Å; M76-E79 WeakPolarHBondContact O-CB 3.47Å; M76-E79 PolarHBondContact O-N 3.11Å; M76-E79 HydrophobicContact SD-CB 4.33Å; M76-E79 HydrophobicContact SD-CG 4.01Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.48Å; E79-R82 PolarHBondContact O-N 3.3Å; E79-R82 VanDerWaalsContact O-N 3.15Å; E79-R82 IonicContact OE1-CZ 2.73Å; E79-R82 IonicContact OE1-NE 3.8Å; E79-R82 PolarHBondContact OE1-NE 3Å; E79-R82 IonicContact OE1-NH2 2.63Å; E79-R82 PolarHBondContact OE1-NH2 3.12Å; E79-R82 IonicContact OE2-CZ 2.62Å; E79-R82 IonicContact OE2-NH2 3.92Å; E79-R82 PolarHBondContact OE2-NH2 2.62Å; E79-V83 WeakPolarHBondContact O-CB 3.37Å; E79-V83 WeakPolarHBondContact O-CG2 3.02Å; E79-V83 PolarHBondContact O-N 2.73Å; E79-K172 HydrophobicContact CG-CD 4.17Å; E79-K172 IonicContact OE2-NZ 2.68Å; E79-K172 PolarHBondContact OE2-NZ 3.05Å
80V96.9Very high95.2Very high1 Ų171.7 Ų71.71%0.00633%0.333CS..Hα-helixtrans-58.3-43.1175.1176.60000110.8M76 R82 V83 K84 P130 V133 I163 F169M76-V80 PolarHBondContact O-N 3.46Å; V80-R82 PolarHBondContact O-N 3.36Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-K84 WeakPolarHBondContact O-CB 3.38Å; V80-K84 PolarHBondContact O-N 3.06Å; V80-P130 HydrophobicContact CB-CB 4.11Å; V80-P130 HydrophobicContact CG1-CB 4.06Å; V80-V133 HydrophobicContact CG1-CB 4.17Å; V80-V133 HydrophobicContact CG1-CG1 4.08Å; V80-V133 HydrophobicContact CG2-CG1 4.27Å; V80-I163 HydrophobicContact CG1-CG2 4.32Å; V80-F169 HydrophobicContact CG2-CD2 3.88Å; V80-F169 HydrophobicContact CG2-CE2 3.26Å; V80-F169 HydrophobicContact CG2-CZ 3.92Å
81K96.7Very high95.4Very high134 Ų13466.7 Ų66.758%0.58331%0.306SS*.Hα-helixtrans-61.4-43.5176.2-76.7175.7-179.9-174.80112.3R77 K78 E79 A85 P130R77-K81 WeakPolarHBondContact O-CB 3.4Å; R77-K81 VanDerWaalsContact O-CG 3.23Å; R77-K81 WeakPolarHBondContact O-CG 3.43Å; R77-K81 PolarHBondContact O-N 3Å; K78-K81 PolarHBondContact O-N 3.35Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.48Å; K81-A85 PolarHBondContact O-N 2.93Å; K81-A85 VanDerWaalsContact O-N 3.14Å; K81-P130 HydrophobicContact CG-CG 4.19Å
82R96.3Very high95.7Very high141 Ų14165.6 Ų65.653%0.53230%0.303SS..Hα-helixtrans-63.1-49175.7-70.3-164.6-68.1153.7-11.4111.8K78 E79 V80 A85 L86K78-R82 WeakPolarHBondContact O-CG 3.45Å; K78-R82 PolarHBondContact O-N 3.46Å; E79-R82 PolarHBondContact O-N 3.3Å; E79-R82 VanDerWaalsContact O-N 3.15Å; E79-R82 IonicContact OE1-CZ 2.73Å; E79-R82 IonicContact OE1-NE 3.8Å; E79-R82 PolarHBondContact OE1-NE 3Å; E79-R82 IonicContact OE1-NH2 2.63Å; E79-R82 PolarHBondContact OE1-NH2 3.12Å; E79-R82 IonicContact OE2-CZ 2.62Å; E79-R82 IonicContact OE2-NH2 3.92Å; E79-R82 PolarHBondContact OE2-NH2 2.62Å; V80-R82 PolarHBondContact O-N 3.36Å; R82-A85 PolarHBondContact O-N 2.91Å; R82-L86 WeakPolarHBondContact O-CG 3.28Å; R82-L86 PolarHBondContact O-N 3.43Å
83V96.8Very high96Very high3 Ų371 Ų712%0.01832%0.322CS..Hα-helixtrans-66-43.6-178.8169.90000111.9E79 V80 A85 L86 I87 I163 H166 F169E79-V83 WeakPolarHBondContact O-CB 3.37Å; E79-V83 WeakPolarHBondContact O-CG2 3.02Å; E79-V83 PolarHBondContact O-N 2.73Å; V80-V83 PolarHBondContact O-N 2.96Å; V83-A85 VanDerWaalsContact C-N 3.29Å; V83-A85 PolarHBondContact O-N 2.72Å; V83-L86 PolarHBondContact O-N 3.31Å; V83-I87 HydrophobicContact CG1-CD1 3.53Å; V83-I87 HydrophobicContact CG1-CG1 4.23Å; V83-I87 WeakPolarHBondContact O-CB 3.13Å; V83-I87 WeakPolarHBondContact O-CG1 3.42Å; V83-I87 PolarHBondContact O-N 3.45Å; V83-I163 HydrophobicContact CG1-CG2 3.96Å; V83-H166 HydrophobicContact CG1-CB 3.57Å; V83-H166 VanDerWaalsContact CG1-CG 3.41Å; V83-H166 WeakPolarHBondContact CG2-ND1 3.24Å; V83-F169 HydrophobicContact CG2-CB 4.28Å
84K96.1Very high96.1Very high36 Ų3674.2 Ų74.216%0.15734%0.336CS..Hα-helixtrans-54.5-44172.4174163.9156.4155.20111.2V80 I88 M125 K126 L128V80-K84 WeakPolarHBondContact O-CB 3.38Å; V80-K84 PolarHBondContact O-N 3.06Å; K84-I88 HydrophobicContact CG-CD1 3.91Å; K84-I88 WeakPolarHBondContact O-CB 3.43Å; K84-I88 WeakPolarHBondContact O-CD1 3.48Å; K84-I88 WeakPolarHBondContact O-CG1 3.22Å; K84-I88 PolarHBondContact O-N 3.36Å; K84-M125 HydrophobicContact CB-CE 4.46Å; K84-M125 WeakPolarHBondContact CD-O 3.46Å; K84-M125 WeakPolarHBondContact CE-O 3.35Å; K84-M125 HydrophobicContact CG-CE 4.33Å; K84-M125 PolarHBondContact NZ-O 2.92Å; K84-K126 PolarHBondContact NZ-O 3.28Å; K84-L128 PolarHBondContact NZ-O 3.16Å
85A96.7Very high96.3Very high59 Ų5971.8 Ų71.849%0.48832%0.321SS..Hα-helixtrans-67.1-43.9175.600000113.4K81 R82 V83 R89K81-A85 PolarHBondContact O-N 2.93Å; K81-A85 VanDerWaalsContact O-N 3.14Å; R82-A85 PolarHBondContact O-N 2.91Å; V83-A85 VanDerWaalsContact C-N 3.29Å; V83-A85 PolarHBondContact O-N 2.72Å; A85-R89 WeakPolarHBondContact O-CB 3.37Å; A85-R89 PolarHBondContact O-N 2.87Å
86L96.5Very high96.5Very high85 Ų8569.5 Ų69.545%0.44532%0.317SS..Hα-helixtrans-61.7-46.4177.7-72.3173.6000112.2R82 V83 R89 K90R82-L86 WeakPolarHBondContact O-CG 3.28Å; R82-L86 PolarHBondContact O-N 3.43Å; V83-L86 PolarHBondContact O-N 3.31Å; L86-R89 PolarHBondContact O-N 3.03Å; L86-K90 PolarHBondContact O-N 3.06Å
87I96.1Very high96.5Very high9 Ų971.6 Ų71.65%0.04634%0.335CS..Hα-helixtrans-66-49.9177.7-65.2167000109.9V83 R89 K90 L91 M125 R162 I163 H166V83-I87 HydrophobicContact CG1-CD1 3.53Å; V83-I87 HydrophobicContact CG1-CG1 4.23Å; V83-I87 WeakPolarHBondContact O-CB 3.13Å; V83-I87 WeakPolarHBondContact O-CG1 3.42Å; V83-I87 PolarHBondContact O-N 3.45Å; I87-R89 PolarHBondContact O-N 3.39Å; I87-K90 CarbonylContact O-C 3.58Å; I87-K90 WeakPolarHBondContact O-CA 3.29Å; I87-K90 VanDerWaalsContact O-CB 3.3Å; I87-K90 WeakPolarHBondContact O-CB 3.31Å; I87-K90 PolarHBondContact O-N 3.35Å; I87-L91 HydrophobicContact CG2-CD1 4.04Å; I87-L91 HydrophobicContact CG2-CG 4.08Å; I87-L91 WeakPolarHBondContact O-CG 3.35Å; I87-L91 PolarHBondContact O-N 2.93Å; I87-M125 HydrophobicContact CB-CE 3.79Å; I87-M125 HydrophobicContact CB-SD 4.38Å; I87-M125 HydrophobicContact CD1-CE 4.37Å; I87-M125 HydrophobicContact CG2-CE 3.58Å; I87-M125 HydrophobicContact CG2-SD 3.57Å; I87-M125 VanDerWaalsContact CG2-SD 3.57Å; I87-R162 HydrophobicContact CD1-CG 4.47Å; I87-R162 WeakPolarHBondContact CD1-O 3.39Å; I87-R162 HydrophobicContact CG2-CG 4.15Å; I87-I163 HydrophobicContact CD1-CB 4.5Å; I87-I163 HydrophobicContact CD1-CG1 4.11Å; I87-H166 HydrophobicContact CD1-CB 4.18Å
88I96.8Very high96.5Very high31 Ų3168.1 Ų68.116%0.15932%0.324CS..Hα-helixtrans-53.2-44.3175.9-72.7167.5000110.3K84 K90 L91 T92 V122 M125 K126K84-I88 HydrophobicContact CG-CD1 3.91Å; K84-I88 WeakPolarHBondContact O-CB 3.43Å; K84-I88 WeakPolarHBondContact O-CD1 3.48Å; K84-I88 WeakPolarHBondContact O-CG1 3.22Å; K84-I88 PolarHBondContact O-N 3.36Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 2.94Å; I88-L91 PolarHBondContact O-N 3.37Å; I88-T92 PolarHBondContact O-N 2.95Å; I88-T92 PolarHBondContact O-OG1 3.15Å; I88-T92 VanDerWaalsContact O-OG1 3.05Å; I88-V122 HydrophobicContact CG2-CG1 4.12Å; I88-M125 HydrophobicContact CD1-CB 4.19Å; I88-M125 HydrophobicContact CG1-CB 4.16Å; I88-M125 HydrophobicContact CG1-CE 4.02Å; I88-M125 HydrophobicContact CG1-SD 3.97Å; I88-K126 HydrophobicContact CD1-CG 4.23Å
89R97.3Very high96.4Very high172 Ų17267.8 Ų67.865%0.64932%0.322SS*.Hα-helixtrans-63-33.9175.4-165.5179.9177.9176-0.4112.8A85 L86 I87 R93A85-R89 WeakPolarHBondContact O-CB 3.37Å; A85-R89 PolarHBondContact O-N 2.87Å; L86-R89 PolarHBondContact O-N 3.03Å; I87-R89 PolarHBondContact O-N 3.39Å; R89-R93 WeakPolarHBondContact O-CG 3.44Å; R89-R93 PolarHBondContact O-N 3.21Å; R89-R93 PolarHBondContact O-NE 3.42Å; R89-R93 PolarHBondContact O-NH2 3.09Å
90K96.6Very high96.4Very high125 Ų12574.1 Ų74.154%0.54335%0.349SS..Hα-helixtrans-65-49.3171.1-172.9177.6180177.90110.8L86 I87 I88 R93 Q94L86-K90 PolarHBondContact O-N 3.06Å; I87-K90 CarbonylContact O-C 3.58Å; I87-K90 WeakPolarHBondContact O-CA 3.29Å; I87-K90 VanDerWaalsContact O-CB 3.3Å; I87-K90 WeakPolarHBondContact O-CB 3.31Å; I87-K90 PolarHBondContact O-N 3.35Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 2.94Å; K90-R93 PolarHBondContact O-N 2.93Å; K90-Q94 PolarHBondContact O-N 2.96Å
91L96.6Very high96.2Very high4 Ų479.9 Ų79.92%0.02137%0.374CS..Hα-helixtrans-65.1-45-178.3-54.9-175.7000112.1I87 I88 R93 Q94 I95 L118 V122 M125I87-L91 HydrophobicContact CG2-CD1 4.04Å; I87-L91 HydrophobicContact CG2-CG 4.08Å; I87-L91 WeakPolarHBondContact O-CG 3.35Å; I87-L91 PolarHBondContact O-N 2.93Å; I88-L91 PolarHBondContact O-N 3.37Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 2.62Å; L91-Q94 CarbonylContact O-C 3.58Å; L91-Q94 WeakPolarHBondContact O-CA 3.36Å; L91-Q94 WeakPolarHBondContact O-CB 3.34Å; L91-Q94 PolarHBondContact O-N 3.46Å; L91-I95 WeakPolarHBondContact O-CD1 3.46Å; L91-I95 VanDerWaalsContact O-CG1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.48Å; L91-I95 PolarHBondContact O-N 2.65Å; L91-L118 HydrophobicContact CD2-CD2 4.36Å; L91-V122 HydrophobicContact CB-CG2 3.65Å; L91-V122 HydrophobicContact CD1-CG2 3.76Å; L91-V122 HydrophobicContact CG-CG2 4.33Å; L91-M125 HydrophobicContact CD1-SD 3.72Å
92T97.3Very high96Very high64 Ų6482.9 Ų82.939%0.39339%0.388SS..Hα-helixtrans-59.3-37.1176-55.90000112I88 I95 V96I88-T92 PolarHBondContact O-N 2.95Å; I88-T92 PolarHBondContact O-OG1 3.15Å; I88-T92 VanDerWaalsContact O-OG1 3.05Å; T92-I95 PolarHBondContact O-N 2.99Å; T92-V96 WeakPolarHBondContact O-CB 3.34Å; T92-V96 VanDerWaalsContact O-CG2 3.31Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 3.01Å
93R97.2Very high95.6Very high146 Ų14678.5 Ų78.555%0.55139%0.386SS*.Hα-helixtrans-66.7-40.6173.1-76.8174.9-71.7-173.61.6112.1R89 K90 L91 V96 A97R89-R93 WeakPolarHBondContact O-CG 3.44Å; R89-R93 PolarHBondContact O-N 3.21Å; R89-R93 PolarHBondContact O-NE 3.42Å; R89-R93 PolarHBondContact O-NH2 3.09Å; K90-R93 PolarHBondContact O-N 2.93Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 2.62Å; R93-V96 PolarHBondContact O-N 2.63Å; R93-A97 WeakPolarHBondContact O-CB 3.29Å; R93-A97 PolarHBondContact O-N 3.26Å
94Q96.5Very high95.4Very high83 Ų8385.7 Ų85.739%0.38842%0.417SS..Hα-helixtrans-64.6-42.4174.5-71173.5-39.600112.2K90 L91 A97 L98 L118K90-Q94 PolarHBondContact O-N 2.96Å; L91-Q94 CarbonylContact O-C 3.58Å; L91-Q94 WeakPolarHBondContact O-CA 3.36Å; L91-Q94 WeakPolarHBondContact O-CB 3.34Å; L91-Q94 PolarHBondContact O-N 3.46Å; Q94-A97 PolarHBondContact O-N 3.44Å; Q94-L98 WeakPolarHBondContact O-CB 3.4Å; Q94-L98 WeakPolarHBondContact O-CG 3.35Å; Q94-L98 PolarHBondContact O-N 3.41Å; Q94-L118 HydrophobicContact CB-CD1 4.12Å
95I96.9Very high95.2Very high9 Ų992 Ų925%0.04645%0.447CS..Hα-helixtrans-58.5-49.1173.8-69.8155.7000110.7L91 T92 A97 L98 K99 A115 L118 L119 V122L91-I95 WeakPolarHBondContact O-CD1 3.46Å; L91-I95 VanDerWaalsContact O-CG1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.48Å; L91-I95 PolarHBondContact O-N 2.65Å; T92-I95 PolarHBondContact O-N 2.99Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 2.9Å; I95-L98 PolarHBondContact O-N 3.02Å; I95-K99 HydrophobicContact CG2-CD 4.32Å; I95-K99 WeakPolarHBondContact O-CG 3.34Å; I95-K99 PolarHBondContact O-N 3.34Å; I95-A115 HydrophobicContact CG2-CB 4.33Å; I95-L118 HydrophobicContact CD1-CB 3.88Å; I95-L118 HydrophobicContact CG1-CB 3.6Å; I95-L118 HydrophobicContact CG1-CD1 4.32Å; I95-L119 HydrophobicContact CD1-CD2 3.84Å; I95-L119 HydrophobicContact CD1-CG 3.81Å; I95-L119 HydrophobicContact CG1-CG 4.29Å; I95-L119 HydrophobicContact CG2-CD1 4.23Å; I95-L119 HydrophobicContact CG2-CD2 4.24Å; I95-L119 HydrophobicContact CG2-CG 4.07Å; I95-V122 HydrophobicContact CD1-CG2 4.3Å
96V97.1Very high95Very high68 Ų6891.8 Ų91.841%0.41245%0.445SS..Hα-helixtrans-64.1-36.8177.6169.90000111.6T92 R93 K100T92-V96 WeakPolarHBondContact O-CB 3.34Å; T92-V96 VanDerWaalsContact O-CG2 3.31Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 3.01Å; R93-V96 PolarHBondContact O-N 2.63Å; V96-K100 HydrophobicContact CG1-CD 3.96Å; V96-K100 VanDerWaalsContact O-CB 3.29Å; V96-K100 WeakPolarHBondContact O-CB 3.48Å; V96-K100 VanDerWaalsContact O-CG 3.22Å; V96-K100 WeakPolarHBondContact O-CG 3.39Å; V96-K100 PolarHBondContact O-N 3.04Å; V96-K100 VanDerWaalsContact O-N 3.11Å
97A96.5Very high94.8Very high51 Ų5191.8 Ų91.842%0.42144%0.443SS..Hα-helixtrans-66-46.5174.200000111.9R93 Q94 I95 K99 K100 K101R93-A97 WeakPolarHBondContact O-CB 3.29Å; R93-A97 PolarHBondContact O-N 3.26Å; Q94-A97 PolarHBondContact O-N 3.44Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 2.9Å; A97-K99 PolarHBondContact O-N 3.11Å; A97-K100 PolarHBondContact O-N 3.11Å; A97-K100 VanDerWaalsContact O-N 3.11Å; A97-K101 PolarHBondContact O-N 2.93Å
98L95.8Very high94.6Very high28 Ų2894.9 Ų94.915%0.14746%0.458CS..Hα-helixtrans-60.7-43.9177.1-72.9170.4000112Q94 I95 K100 K101 N111 R114 A115 L118Q94-L98 WeakPolarHBondContact O-CB 3.4Å; Q94-L98 WeakPolarHBondContact O-CG 3.35Å; Q94-L98 PolarHBondContact O-N 3.41Å; I95-L98 PolarHBondContact O-N 3.02Å; L98-K100 PolarHBondContact O-N 3.48Å; L98-K101 PolarHBondContact O-N 2.99Å; L98-N111 HydrophobicContact CD2-CB 4.16Å; L98-R114 HydrophobicContact CD1-CB 3.83Å; L98-A115 HydrophobicContact CB-CB 4.11Å; L98-A115 HydrophobicContact CD1-CB 4.28Å; L98-L118 HydrophobicContact CD1-CD1 3.96Å
99K93.3Very high94.6Very high149 Ų14998 Ų9865%0.64847%0.472SS*.Hα-helixtrans-72.3-11.4176-65.4-171.569.7162.80114.1I95 A97 A115I95-K99 HydrophobicContact CG2-CD 4.32Å; I95-K99 WeakPolarHBondContact O-CG 3.34Å; I95-K99 PolarHBondContact O-N 3.34Å; A97-K99 PolarHBondContact O-N 3.11Å; K99-A115 HydrophobicContact CG-CB 4Å
100K93.6Very high94.4Very high158 Ų15897.5 Ų97.569%0.68747%0.47SS*.Hα-helixtrans-97.9-19.4174.6-79.7179.9176.6-173.90113.9V96 A97 L98 K102V96-K100 HydrophobicContact CG1-CD 3.96Å; V96-K100 VanDerWaalsContact O-CB 3.29Å; V96-K100 WeakPolarHBondContact O-CB 3.48Å; V96-K100 VanDerWaalsContact O-CG 3.22Å; V96-K100 WeakPolarHBondContact O-CG 3.39Å; V96-K100 PolarHBondContact O-N 3.04Å; V96-K100 VanDerWaalsContact O-N 3.11Å; A97-K100 PolarHBondContact O-N 3.11Å; A97-K100 VanDerWaalsContact O-N 3.11Å; L98-K100 PolarHBondContact O-N 3.48Å; K100-K102 PolarHBondContact O-N 2.97Å
101K93.9Very high94.4Very high122 Ų12292.5 Ų92.553%0.5345%0.449SS..  trans-60.7134.7171.3-73-173178.4-166.70108.8A97 L98A97-K101 PolarHBondContact O-N 2.93Å; L98-K101 PolarHBondContact O-N 2.99Å
102K91.3Very high94.3Very high198 Ų19897.5 Ų97.586%0.86147%0.473SS*.  trans-120.5137.3171.7-63.5-173.2-179.7-173.80107.7K100 M108K100-K102 PolarHBondContact O-N 2.97Å; K102-M108 VanDerWaalsContact CA-SD 3.59Å
103G89.3Confident94.2Very high48 Ų48100 Ų10050%0.49548%0.475SS..  trans-172.4-158.4-172.900000111.3
104K92.2Very high94Very high154 Ų15499.7 Ų99.767%0.6747%0.474SS*.  trans-61.4149.2174.9-61.5178.8-171.4162.50110.2A106 E107 M108K104-A106 VanDerWaalsContact C-N 3.34Å; K104-A106 PolarHBondContact O-N 3.05Å; K104-E107 HydrophobicContact CB-CG 4.2Å; K104-E107 WeakPolarHBondContact CD-OE1 3.31Å; K104-E107 CarbonylContact O-C 3.58Å; K104-E107 WeakPolarHBondContact O-CA 3.38Å; K104-E107 WeakPolarHBondContact O-CB 3.42Å; K104-E107 PolarHBondContact O-N 3.33Å; K104-M108 PolarHBondContact O-N 3.49Å
105E91.6Very high94Very high169 Ų16995.9 Ų95.979%0.7946%0.456SS*.Hα-helixtrans-56.1-44.3-176.5-174167.1-148.900113.1E107 M108 E109E105-E107 PolarHBondContact O-N 3.12Å; E105-M108 WeakPolarHBondContact O-CB 3.5Å; E105-M108 PolarHBondContact O-N 2.79Å; E105-M108 VanDerWaalsContact O-N 3.14Å; E105-E109 WeakPolarHBondContact O-CB 3.43Å; E105-E109 PolarHBondContact O-N 3.37Å
106A92.2Very high94Very high54 Ų5499 Ų9945%0.44647%0.471SS..Hα-helixtrans-61.3-29.3173.700000113.6K104 R110K104-A106 VanDerWaalsContact C-N 3.34Å; K104-A106 PolarHBondContact O-N 3.05Å; A106-R110 VanDerWaalsContact O-CB 3.31Å; A106-R110 WeakPolarHBondContact O-CB 3.47Å; A106-R110 VanDerWaalsContact O-CD 3.23Å; A106-R110 WeakPolarHBondContact O-CD 3.44Å; A106-R110 WeakPolarHBondContact O-CG 3.34Å; A106-R110 PolarHBondContact O-N 3.3Å; A106-R110 VanDerWaalsContact O-N 3.11Å
107E93.3Very high93.9Very high85 Ų85101.9 Ų101.940%0.39747%0.474SS..Hα-helixtrans-78.4-38174.4-64.9164.6-158.700111.6K104 E105 R110 N111K104-E107 HydrophobicContact CB-CG 4.2Å; K104-E107 WeakPolarHBondContact CD-OE1 3.31Å; K104-E107 CarbonylContact O-C 3.58Å; K104-E107 WeakPolarHBondContact O-CA 3.38Å; K104-E107 WeakPolarHBondContact O-CB 3.42Å; K104-E107 PolarHBondContact O-N 3.33Å; E105-E107 PolarHBondContact O-N 3.12Å; E107-R110 PolarHBondContact O-N 3.4Å; E107-N111 VanDerWaalsContact O-CB 3.29Å; E107-N111 WeakPolarHBondContact O-CB 3.48Å; E107-N111 PolarHBondContact O-N 2.95Å; E107-N111 PolarHBondContact O-ND2 3.27Å
108M92.4Very high93.8Very high75 Ų75100.8 Ų100.837%0.36946%0.461SS..Hα-helixtrans-56.2-52.5171.6-68.5-63.9-65.300110.4K102 K104 E105 R110 N111 Q112K102-M108 VanDerWaalsContact CA-SD 3.59Å; K104-M108 PolarHBondContact O-N 3.49Å; E105-M108 WeakPolarHBondContact O-CB 3.5Å; E105-M108 PolarHBondContact O-N 2.79Å; E105-M108 VanDerWaalsContact O-N 3.14Å; M108-R110 PolarHBondContact O-N 2.97Å; M108-N111 CarbonylContact O-C 3.56Å; M108-N111 PolarHBondContact O-N 2.87Å; M108-N111 VanDerWaalsContact O-N 3.14Å; M108-Q112 WeakPolarHBondContact O-CB 3.36Å; M108-Q112 PolarHBondContact O-N 3.3Å
109E95Very high93.8Very high95 Ų95102.5 Ų102.544%0.44447%0.47SS..Hα-helixtrans-64.5-41.6-178.3-160.8-153.9-160.600111.8E105 N111 Q112 R113E105-E109 WeakPolarHBondContact O-CB 3.43Å; E105-E109 PolarHBondContact O-N 3.37Å; E109-N111 PolarHBondContact O-N 3.06Å; E109-Q112 PolarHBondContact O-N 2.85Å; E109-R113 VanDerWaalsContact CD-CZ 3.4Å; E109-R113 WeakPolarHBondContact O-CG 3.47Å; E109-R113 PolarHBondContact O-N 2.98Å; E109-R113 IonicContact OE1-CZ 2.75Å; E109-R113 IonicContact OE1-NH1 2.82Å; E109-R113 PolarHBondContact OE1-NH1 2.88Å; E109-R113 IonicContact OE1-NH2 3.27Å; E109-R113 PolarHBondContact OE1-NH2 2.87Å; E109-R113 IonicContact OE2-CZ 2.68Å; E109-R113 IonicContact OE2-NH1 3.42Å; E109-R113 PolarHBondContact OE2-NH1 3.49Å; E109-R113 IonicContact OE2-NH2 3.18Å; E109-R113 PolarHBondContact OE2-NH2 3.38Å
110R94.8Very high93.9Very high162 Ų162100 Ų10061%0.61146%0.461SS*.Hα-helixtrans-62.3-38.3171.5-74.9167.4-176.6-168.5-0.9112.5A106 E107 M108 R114A106-R110 VanDerWaalsContact O-CB 3.31Å; A106-R110 WeakPolarHBondContact O-CB 3.47Å; A106-R110 VanDerWaalsContact O-CD 3.23Å; A106-R110 WeakPolarHBondContact O-CD 3.44Å; A106-R110 WeakPolarHBondContact O-CG 3.34Å; A106-R110 PolarHBondContact O-N 3.3Å; A106-R110 VanDerWaalsContact O-N 3.11Å; E107-R110 PolarHBondContact O-N 3.4Å; M108-R110 PolarHBondContact O-N 2.97Å; R110-R114 WeakPolarHBondContact O-CD 3.48Å; R110-R114 VanDerWaalsContact O-CG 3.27Å; R110-R114 WeakPolarHBondContact O-CG 3.3Å; R110-R114 PolarHBondContact O-N 3.25Å; R110-R114 VanDerWaalsContact O-N 3.17Å
111N95.2Very high94Very high21 Ų2192.7 Ų92.711%0.11243%0.429CS..Hα-helixtrans-73.6-33.8177.2-73.5-37.9000112.2L98 E107 M108 E109 R114 A115L98-N111 HydrophobicContact CD2-CB 4.16Å; E107-N111 VanDerWaalsContact O-CB 3.29Å; E107-N111 WeakPolarHBondContact O-CB 3.48Å; E107-N111 PolarHBondContact O-N 2.95Å; E107-N111 PolarHBondContact O-ND2 3.27Å; M108-N111 CarbonylContact O-C 3.56Å; M108-N111 PolarHBondContact O-N 2.87Å; M108-N111 VanDerWaalsContact O-N 3.14Å; E109-N111 PolarHBondContact O-N 3.06Å; N111-R114 WeakPolarHBondContact O-CB 3.4Å; N111-R114 PolarHBondContact O-N 3.05Å; N111-A115 WeakPolarHBondContact O-CB 3.27Å; N111-A115 PolarHBondContact O-N 3.44Å
112Q94.3Very high94.1Very high108 Ų10887.2 Ų87.251%0.50541%0.406SS..Hα-helixtrans-63.9-51.7172175.2162.8-15.600111.1M108 E109 R114 A115 E116M108-Q112 WeakPolarHBondContact O-CB 3.36Å; M108-Q112 PolarHBondContact O-N 3.3Å; E109-Q112 PolarHBondContact O-N 2.85Å; Q112-R114 PolarHBondContact O-N 3.29Å; Q112-R114 VanDerWaalsContact O-N 3.08Å; Q112-A115 CarbonylContact O-C 3.54Å; Q112-A115 WeakPolarHBondContact O-CA 3.48Å; Q112-A115 WeakPolarHBondContact O-CB 3.31Å; Q112-A115 PolarHBondContact O-N 2.95Å; Q112-E116 VanDerWaalsContact CG-CD 3.47Å; Q112-E116 HydrophobicContact CG-CG 4.39Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.23Å; Q112-E116 PolarHBondContact NE2-OE1 3.21Å; Q112-E116 WeakPolarHBondContact O-CG 3.08Å; Q112-E116 PolarHBondContact O-N 3.32Å
113R95.8Very high94.4Very high118 Ų11882.2 Ų82.245%0.44539%0.385SS..Hα-helixtrans-59.7-21.1173.3-68.4-170.6-171.599-3.1114.1E109 E116 R117E109-R113 VanDerWaalsContact CD-CZ 3.4Å; E109-R113 WeakPolarHBondContact O-CG 3.47Å; E109-R113 PolarHBondContact O-N 2.98Å; E109-R113 IonicContact OE1-CZ 2.75Å; E109-R113 IonicContact OE1-NH1 2.82Å; E109-R113 PolarHBondContact OE1-NH1 2.88Å; E109-R113 IonicContact OE1-NH2 3.27Å; E109-R113 PolarHBondContact OE1-NH2 2.87Å; E109-R113 IonicContact OE2-CZ 2.68Å; E109-R113 IonicContact OE2-NH1 3.42Å; E109-R113 PolarHBondContact OE2-NH1 3.49Å; E109-R113 IonicContact OE2-NH2 3.18Å; E109-R113 PolarHBondContact OE2-NH2 3.38Å; R113-E116 WeakPolarHBondContact CA-OE2 3.42Å; R113-E116 PolarHBondContact N-OE2 3.14Å; R113-R117 PolarHBondContact O-NE 2.9Å
114R94.1Very high94.7Very high139 Ų13980.8 Ų80.853%0.52537%0.367SS..Hα-helixtrans-79.8-42.4170.6-76.1166.5169.4175.1-5.7111.2L98 R110 N111 Q112 L118L98-R114 HydrophobicContact CD1-CB 3.83Å; R110-R114 WeakPolarHBondContact O-CD 3.48Å; R110-R114 VanDerWaalsContact O-CG 3.27Å; R110-R114 WeakPolarHBondContact O-CG 3.3Å; R110-R114 PolarHBondContact O-N 3.25Å; R110-R114 VanDerWaalsContact O-N 3.17Å; N111-R114 WeakPolarHBondContact O-CB 3.4Å; N111-R114 PolarHBondContact O-N 3.05Å; Q112-R114 PolarHBondContact O-N 3.29Å; Q112-R114 VanDerWaalsContact O-N 3.08Å; R114-L118 WeakPolarHBondContact O-CG 3.08Å; R114-L118 PolarHBondContact O-N 3.05Å; R114-L118 VanDerWaalsContact O-N 3.12Å
115A96.4Very high94.8Very high2 Ų273.4 Ų73.42%0.01734%0.335CS..Hα-helixtrans-65.3-37.5176.600000112.6I95 L98 K99 N111 Q112 L118 L119I95-A115 HydrophobicContact CG2-CB 4.33Å; L98-A115 HydrophobicContact CB-CB 4.11Å; L98-A115 HydrophobicContact CD1-CB 4.28Å; K99-A115 HydrophobicContact CG-CB 4Å; N111-A115 WeakPolarHBondContact O-CB 3.27Å; N111-A115 PolarHBondContact O-N 3.44Å; Q112-A115 CarbonylContact O-C 3.54Å; Q112-A115 WeakPolarHBondContact O-CA 3.48Å; Q112-A115 WeakPolarHBondContact O-CB 3.31Å; Q112-A115 PolarHBondContact O-N 2.95Å; A115-L118 PolarHBondContact O-N 2.84Å; A115-L119 WeakPolarHBondContact O-CG 3.18Å; A115-L119 PolarHBondContact O-N 2.91Å
116E96.1Very high95Very high76 Ų7671.1 Ų71.136%0.35532%0.323SS..Hα-helixtrans-66.1-49177.5-73.5155.617100111.7Q112 R113 L118 L119 E120Q112-E116 VanDerWaalsContact CG-CD 3.47Å; Q112-E116 HydrophobicContact CG-CG 4.39Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.23Å; Q112-E116 PolarHBondContact NE2-OE1 3.21Å; Q112-E116 WeakPolarHBondContact O-CG 3.08Å; Q112-E116 PolarHBondContact O-N 3.32Å; R113-E116 WeakPolarHBondContact CA-OE2 3.42Å; R113-E116 PolarHBondContact N-OE2 3.14Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.49Å; E116-L119 CarbonylContact O-C 3.59Å; E116-L119 WeakPolarHBondContact O-CA 3.41Å; E116-L119 WeakPolarHBondContact O-CB 3.44Å; E116-L119 PolarHBondContact O-N 3.29Å; E116-E120 PolarHBondContact O-N 2.92Å
117R94.3Very high95.1Very high127 Ų12776.9 Ų76.948%0.47934%0.338SS..Hα-helixtrans-59.6-36.8172.8-74.3179.8-70.8168-6.2113.2R113 L119 E121 M155R113-R117 PolarHBondContact O-NE 2.9Å; R117-L119 VanDerWaalsContact C-N 3.34Å; R117-E121 WeakPolarHBondContact O-CB 3.32Å; R117-E121 PolarHBondContact O-N 3.14Å; R117-M155 HydrophobicContact CB-CE 4.37Å; R117-M155 WeakPolarHBondContact O-CE 3.43Å
118L95.7Very high95.2Very high29 Ų2973.5 Ų73.515%0.15232%0.322CS..Hα-helixtrans-69.2-31.1172.8-70.6178.9000112.5L91 Q94 I95 L98 R114 A115 E116 V122L91-L118 HydrophobicContact CD2-CD2 4.36Å; Q94-L118 HydrophobicContact CB-CD1 4.12Å; I95-L118 HydrophobicContact CD1-CB 3.88Å; I95-L118 HydrophobicContact CG1-CB 3.6Å; I95-L118 HydrophobicContact CG1-CD1 4.32Å; L98-L118 HydrophobicContact CD1-CD1 3.96Å; R114-L118 WeakPolarHBondContact O-CG 3.08Å; R114-L118 PolarHBondContact O-N 3.05Å; R114-L118 VanDerWaalsContact O-N 3.12Å; A115-L118 PolarHBondContact O-N 2.84Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.49Å; L118-V122 WeakPolarHBondContact O-CG2 3.44Å; L118-V122 PolarHBondContact O-N 2.82Å
119L96.2Very high95.3Very high63 Ų6371.5 Ų71.533%0.3332%0.316SS..Hα-helixtrans-69.4-46.6173-78.7164.2000111.4I95 A115 E116 R117 E121 V122 H123I95-L119 HydrophobicContact CD1-CD2 3.84Å; I95-L119 HydrophobicContact CD1-CG 3.81Å; I95-L119 HydrophobicContact CG1-CG 4.29Å; I95-L119 HydrophobicContact CG2-CD1 4.23Å; I95-L119 HydrophobicContact CG2-CD2 4.24Å; I95-L119 HydrophobicContact CG2-CG 4.07Å; A115-L119 WeakPolarHBondContact O-CG 3.18Å; A115-L119 PolarHBondContact O-N 2.91Å; E116-L119 CarbonylContact O-C 3.59Å; E116-L119 WeakPolarHBondContact O-CA 3.41Å; E116-L119 WeakPolarHBondContact O-CB 3.44Å; E116-L119 PolarHBondContact O-N 3.29Å; R117-L119 VanDerWaalsContact C-N 3.34Å; L119-E121 VanDerWaalsContact C-N 3.27Å; L119-E121 PolarHBondContact O-N 2.81Å; L119-V122 WeakPolarHBondContact O-CB 3.36Å; L119-V122 PolarHBondContact O-N 3.5Å; L119-V122 VanDerWaalsContact O-N 3.14Å; L119-H123 PolarHBondContact O-N 2.79Å; L119-H123 PolarHBondContact O-ND1 3.36Å
120E95.3Very high95.4Very high98 Ų9868.1 Ų68.146%0.45830%0.302SS..Hα-helixtrans-52.6-47.4172-71162.2-165.800110.9E116 V122 H123 S124 M155E116-E120 PolarHBondContact O-N 2.92Å; E120-V122 VanDerWaalsContact C-N 3.35Å; E120-V122 PolarHBondContact O-N 3.37Å; E120-H123 WeakPolarHBondContact O-CA 3.32Å; E120-H123 WeakPolarHBondContact O-CB 3.38Å; E120-H123 PolarHBondContact O-N 3.03Å; E120-S124 PolarHBondContact O-N 3.06Å; E120-M155 HydrophobicContact CB-CE 3.77Å
121E94.8Very high95.4Very high4 Ų462 Ų622%0.01928%0.281CS..Hα-helixtrans-66-36.1179-157.2-178.9160.100112.2R117 L119 H123 S124 M125 M155 A159 R162R117-E121 WeakPolarHBondContact O-CB 3.32Å; R117-E121 PolarHBondContact O-N 3.14Å; L119-E121 VanDerWaalsContact C-N 3.27Å; L119-E121 PolarHBondContact O-N 2.81Å; E121-H123 VanDerWaalsContact C-N 3.3Å; E121-H123 PolarHBondContact O-N 2.98Å; E121-S124 PolarHBondContact O-N 2.71Å; E121-M125 WeakPolarHBondContact O-CB 3.47Å; E121-M125 VanDerWaalsContact O-CG 3.27Å; E121-M125 WeakPolarHBondContact O-CG 3.23Å; E121-M125 PolarHBondContact O-N 3.27Å; E121-M155 HydrophobicContact CB-CE 3.85Å; E121-M155 HydrophobicContact CG-CE 4.49Å; E121-A159 HydrophobicContact CG-CB 4.01Å; E121-R162 VanDerWaalsContact CD-NH2 3.33Å; E121-R162 IonicContact OE1-CZ 3.42Å; E121-R162 IonicContact OE1-NE 2.68Å; E121-R162 PolarHBondContact OE1-NE 3.01Å; E121-R162 IonicContact OE1-NH1 3.09Å; E121-R162 PolarHBondContact OE1-NH1 3.42Å; E121-R162 IonicContact OE1-NH2 3.36Å; E121-R162 PolarHBondContact OE1-NH2 2.88Å; E121-R162 VanDerWaalsContact OE1-NH2 3.12Å; E121-R162 IonicContact OE2-CZ 3.43Å; E121-R162 IonicContact OE2-NH1 2.69Å; E121-R162 PolarHBondContact OE2-NH1 3.35Å; E121-R162 IonicContact OE2-NH2 3.33Å; E121-R162 PolarHBondContact OE2-NH2 3.04Å
122V96.8Very high95.3Very high6 Ų665 Ų654%0.03630%0.295CS..Hα-helixtrans-63-34.6170.5164.80000111.7I88 L91 I95 L118 L119 E120 K126I88-V122 HydrophobicContact CG2-CG1 4.12Å; L91-V122 HydrophobicContact CB-CG2 3.65Å; L91-V122 HydrophobicContact CD1-CG2 3.76Å; L91-V122 HydrophobicContact CG-CG2 4.33Å; I95-V122 HydrophobicContact CD1-CG2 4.3Å; L118-V122 WeakPolarHBondContact O-CG2 3.44Å; L118-V122 PolarHBondContact O-N 2.82Å; L119-V122 WeakPolarHBondContact O-CB 3.36Å; L119-V122 PolarHBondContact O-N 3.5Å; L119-V122 VanDerWaalsContact O-N 3.14Å; E120-V122 VanDerWaalsContact C-N 3.35Å; E120-V122 PolarHBondContact O-N 3.37Å; V122-K126 HydrophobicContact CG1-CD 4.48Å; V122-K126 VanDerWaalsContact O-CG 3.27Å; V122-K126 WeakPolarHBondContact O-CG 3.27Å; V122-K126 PolarHBondContact O-N 3.48Å
123H96.5Very high95.4Very high94 Ų9459.9 Ų59.944%0.43527%0.271SS..Hα-helixtrans-70.8-42.5173.9-68.597.7000112.1L119 E120 E121 K126 K127L119-H123 PolarHBondContact O-N 2.79Å; L119-H123 PolarHBondContact O-ND1 3.36Å; E120-H123 WeakPolarHBondContact O-CA 3.32Å; E120-H123 WeakPolarHBondContact O-CB 3.38Å; E120-H123 PolarHBondContact O-N 3.03Å; E121-H123 VanDerWaalsContact C-N 3.3Å; E121-H123 PolarHBondContact O-N 2.98Å; H123-K126 WeakPolarHBondContact O-CB 3.41Å; H123-K126 PolarHBondContact O-N 2.88Å; H123-K127 WeakPolarHBondContact O-CG 3.49Å; H123-K127 PolarHBondContact O-N 2.87Å
124S95.9Very high95.3Very high17 Ų1754.2 Ų54.212%0.11925%0.25CC..Hα-helixtrans-58.6-48.9170.7-74.40000111.5E120 E121 K126 K127 L128 M155E120-S124 PolarHBondContact O-N 3.06Å; E121-S124 PolarHBondContact O-N 2.71Å; S124-K126 VanDerWaalsContact C-N 3.29Å; S124-K126 PolarHBondContact O-N 3.38Å; S124-K127 PolarHBondContact O-N 3.4Å; S124-K127 VanDerWaalsContact O-N 3.08Å; S124-L128 WeakPolarHBondContact O-CG 3.48Å; S124-L128 PolarHBondContact O-N 2.82Å; S124-M155 VanDerWaalsContact CB-O 3.24Å; S124-M155 WeakPolarHBondContact CB-O 3.4Å; S124-M155 PolarHBondContact OG-O 2.75Å
125M95Very high95.3Very high0 Ų053.3 Ų53.30%025%0.246CC..Hα-helixtrans-54.9-42173.9-78.4-165.576.200112.5K84 I87 I88 L91 E121 A159 I163K84-M125 HydrophobicContact CB-CE 4.46Å; K84-M125 WeakPolarHBondContact CD-O 3.46Å; K84-M125 WeakPolarHBondContact CE-O 3.35Å; K84-M125 HydrophobicContact CG-CE 4.33Å; K84-M125 PolarHBondContact NZ-O 2.92Å; I87-M125 HydrophobicContact CB-CE 3.79Å; I87-M125 HydrophobicContact CB-SD 4.38Å; I87-M125 HydrophobicContact CD1-CE 4.37Å; I87-M125 HydrophobicContact CG2-CE 3.58Å; I87-M125 HydrophobicContact CG2-SD 3.57Å; I87-M125 VanDerWaalsContact CG2-SD 3.57Å; I88-M125 HydrophobicContact CD1-CB 4.19Å; I88-M125 HydrophobicContact CG1-CB 4.16Å; I88-M125 HydrophobicContact CG1-CE 4.02Å; I88-M125 HydrophobicContact CG1-SD 3.97Å; L91-M125 HydrophobicContact CD1-SD 3.72Å; E121-M125 WeakPolarHBondContact O-CB 3.47Å; E121-M125 VanDerWaalsContact O-CG 3.27Å; E121-M125 WeakPolarHBondContact O-CG 3.23Å; E121-M125 PolarHBondContact O-N 3.27Å; M125-A159 HydrophobicContact CB-CB 4.46Å; M125-A159 HydrophobicContact CG-CB 3.61Å; M125-I163 HydrophobicContact CE-CD1 3.86Å; M125-I163 HydrophobicContact CE-CG1 3.68Å
126K94.9Very high95.2Very high120 Ų12054.8 Ų54.852%0.52226%0.255SS..Hα-helixtrans-61.6-45.1175.2-77.8170.7-179.21800111.7K84 I88 V122 H123 S124K84-K126 PolarHBondContact NZ-O 3.28Å; I88-K126 HydrophobicContact CD1-CG 4.23Å; V122-K126 HydrophobicContact CG1-CD 4.48Å; V122-K126 VanDerWaalsContact O-CG 3.27Å; V122-K126 WeakPolarHBondContact O-CG 3.27Å; V122-K126 PolarHBondContact O-N 3.48Å; H123-K126 WeakPolarHBondContact O-CB 3.41Å; H123-K126 PolarHBondContact O-N 2.88Å; S124-K126 VanDerWaalsContact C-N 3.29Å; S124-K126 PolarHBondContact O-N 3.38Å
127K94.9Very high95.1Very high175 Ų17551.4 Ų51.476%0.76124%0.24SC*.Hα-helixtrans-66.2-42.5-178.6-71.1178.3177.6-1740114.1H123 S124 S129H123-K127 WeakPolarHBondContact O-CG 3.49Å; H123-K127 PolarHBondContact O-N 2.87Å; S124-K127 PolarHBondContact O-N 3.4Å; S124-K127 VanDerWaalsContact O-N 3.08Å; K127-S129 PolarHBondContact O-N 3.2Å
128L94.6Very high95Very high15 Ų1546.9 Ų46.98%0.07923%0.225CC..SBendtrans-52.3131.7-175.8-74.6169.9000113.8K84 S124 V133 L156 A159 T160 I163K84-L128 PolarHBondContact NZ-O 3.16Å; S124-L128 WeakPolarHBondContact O-CG 3.48Å; S124-L128 PolarHBondContact O-N 2.82Å; L128-V133 HydrophobicContact CB-CG2 4.06Å; L128-V133 HydrophobicContact CD1-CG2 4.21Å; L128-L156 HydrophobicContact CD2-CB 4.49Å; L128-L156 HydrophobicContact CD2-CD2 3.93Å; L128-L156 HydrophobicContact CG-CD2 4.09Å; L128-A159 HydrophobicContact CD1-CB 3.68Å; L128-T160 VanDerWaalsContact CD1-OG1 3.27Å; L128-T160 WeakPolarHBondContact CD1-OG1 3.5Å; L128-T160 WeakPolarHBondContact CD2-OG1 3.22Å; L128-I163 HydrophobicContact CD1-CD1 4.39Å
129S95.3Very high94.8Very high32 Ų3251.6 Ų51.622%0.22425%0.246CC..  trans-77.8150.3174.396.10000111.7K127 D131 E132 V133K127-S129 PolarHBondContact O-N 3.2Å; S129-D131 PolarHBondContact O-N 3.02Å; S129-D131 PolarHBondContact OG-N 3.43Å; S129-E132 WeakPolarHBondContact CB-OE1 3.32Å; S129-E132 PolarHBondContact N-OE2 3.49Å; S129-E132 PolarHBondContact OG-N 3.27Å; S129-E132 PolarHBondContact OG-OE1 3.11Å; S129-E132 PolarHBondContact OG-OE2 3.41Å; S129-V133 WeakPolarHBondContact O-CG2 3.46Å; S129-V133 PolarHBondContact O-N 3.15Å
130P96Very high94.4Very high25 Ų2554 Ų5416%0.16225%0.254CS..Hα-helixtrans-61.5-26.6177.4-23.835.2000114.1R77 V80 K81 T134R77-P130 HydrophobicContact CB-CB 4.31Å; R77-P130 HydrophobicContact CG-CB 4.2Å; V80-P130 HydrophobicContact CB-CB 4.11Å; V80-P130 HydrophobicContact CG1-CB 4.06Å; K81-P130 HydrophobicContact CG-CG 4.19Å; P130-T134 PolarHBondContact O-N 3.19Å; P130-T134 VanDerWaalsContact O-N 3.11Å; P130-T134 PolarHBondContact O-OG1 2.8Å
131D94.9Very high93.8Very high33 Ų3356.1 Ų56.118%0.17627%0.269CS..Hα-helixtrans-87.7-31.6-174-59-25.2000112V73 R77 S129 R135V73-D131 HydrophobicContact CG1-CB 4.47Å; R77-D131 WeakPolarHBondContact CG-OD1 3.4Å; R77-D131 IonicContact CZ-OD1 2.64Å; R77-D131 IonicContact CZ-OD2 3.29Å; R77-D131 VanDerWaalsContact CZ-OD2 3.28Å; R77-D131 VanDerWaalsContact NE-CG 3.34Å; R77-D131 IonicContact NE-OD1 2.73Å; R77-D131 PolarHBondContact NE-OD1 2.86Å; R77-D131 IonicContact NE-OD2 2.74Å; R77-D131 PolarHBondContact NE-OD2 2.8Å; R77-D131 VanDerWaalsContact NE-OD2 3.07Å; R77-D131 IonicContact NH2-OD1 2.68Å; R77-D131 IonicContact NH2-OD2 2.88Å; R77-D131 PolarHBondContact NH2-OD2 2.99Å; S129-D131 PolarHBondContact O-N 3.02Å; S129-D131 PolarHBondContact OG-N 3.43Å; D131-R135 WeakPolarHBondContact O-CB 3.46Å; D131-R135 VanDerWaalsContact O-CG 3.3Å; D131-R135 WeakPolarHBondContact O-CG 3.48Å; D131-R135 PolarHBondContact O-N 3.01Å; D131-R135 PolarHBondContact O-NE 3.31Å
132E94Very high93.2Very high83 Ų8358.1 Ų58.139%0.38828%0.279SS..Hα-helixtrans-59.3-50.6164.6-78.8124.4-12000110.6S129 T134 R135 T136S129-E132 WeakPolarHBondContact CB-OE1 3.32Å; S129-E132 PolarHBondContact N-OE2 3.49Å; S129-E132 PolarHBondContact OG-N 3.27Å; S129-E132 PolarHBondContact OG-OE1 3.11Å; S129-E132 PolarHBondContact OG-OE2 3.41Å; E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 3.35Å; E132-R135 PolarHBondContact O-N 3.12Å; E132-T136 WeakPolarHBondContact O-CB 3.29Å; E132-T136 WeakPolarHBondContact O-CG2 3.46Å; E132-T136 PolarHBondContact O-N 3.4Å; E132-T136 PolarHBondContact O-OG1 2.92Å
133V95.1Very high92.7Very high1 Ų161.3 Ų61.31%0.00630%0.296CS..Hα-helixtrans-62.2-37.3-177.6175.20000111.3V80 L128 S129 T136 A137 T160 I163 F169V80-V133 HydrophobicContact CG1-CB 4.17Å; V80-V133 HydrophobicContact CG1-CG1 4.08Å; V80-V133 HydrophobicContact CG2-CG1 4.27Å; L128-V133 HydrophobicContact CB-CG2 4.06Å; L128-V133 HydrophobicContact CD1-CG2 4.21Å; S129-V133 WeakPolarHBondContact O-CG2 3.46Å; S129-V133 PolarHBondContact O-N 3.15Å; V133-T136 PolarHBondContact O-OG1 3.14Å; V133-A137 WeakPolarHBondContact O-CB 3.45Å; V133-A137 PolarHBondContact O-N 3.08Å; V133-A137 VanDerWaalsContact O-N 3.13Å; V133-T160 HydrophobicContact CG2-CG2 4.37Å; V133-I163 HydrophobicContact CG1-CB 3.91Å; V133-I163 HydrophobicContact CG1-CD1 4.31Å; V133-I163 HydrophobicContact CG1-CG2 3.57Å; V133-I163 HydrophobicContact CG2-CD1 4.16Å; V133-F169 HydrophobicContact CG1-CE1 4.49Å; V133-F169 HydrophobicContact CG1-CZ 4.25Å
134T94.9Very high92.3Very high0 Ų059.2 Ų59.20%029%0.286CS..Hα-helixtrans-72.9-44.5177.1-49.30000112.3V73 M76 P130 E132 A137 L138 I173V73-T134 HydrophobicContact CB-CG2 4.38Å; V73-T134 HydrophobicContact CG1-CG2 4.36Å; V73-T134 HydrophobicContact CG2-CG2 3.94Å; M76-T134 HydrophobicContact CB-CG2 3.69Å; M76-T134 HydrophobicContact CG-CG2 4.03Å; P130-T134 PolarHBondContact O-N 3.19Å; P130-T134 VanDerWaalsContact O-N 3.11Å; P130-T134 PolarHBondContact O-OG1 2.8Å; E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 3.35Å; T134-A137 PolarHBondContact O-N 2.96Å; T134-L138 HydrophobicContact CG2-CD1 4.16Å; T134-L138 VanDerWaalsContact O-CG 3.32Å; T134-L138 WeakPolarHBondContact O-CG 3.35Å; T134-L138 PolarHBondContact O-N 2.86Å; T134-I173 HydrophobicContact CG2-CD1 4.17Å
135R94.1Very high92Very high120 Ų12064 Ų6445%0.45331%0.306SS..Hα-helixtrans-61.7-52.7177-77177.2-69.6160.8-2.8112D131 E132 A137 L138 E139D131-R135 WeakPolarHBondContact O-CB 3.46Å; D131-R135 VanDerWaalsContact O-CG 3.3Å; D131-R135 WeakPolarHBondContact O-CG 3.48Å; D131-R135 PolarHBondContact O-N 3.01Å; D131-R135 PolarHBondContact O-NE 3.31Å; E132-R135 PolarHBondContact O-N 3.12Å; R135-A137 VanDerWaalsContact C-N 3.29Å; R135-A137 PolarHBondContact O-N 3.17Å; R135-L138 WeakPolarHBondContact O-CB 3.43Å; R135-L138 PolarHBondContact O-N 2.96Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 VanDerWaalsContact O-CG 3.25Å; R135-E139 WeakPolarHBondContact O-CG 3.48Å; R135-E139 PolarHBondContact O-N 3.47Å
136T93.9Very high91.5Very high33 Ų3367.2 Ų67.220%0.20233%0.328CS..Hα-helixtrans-60.7-35.3178.653.10000113.1E132 V133 K140 T160E132-T136 WeakPolarHBondContact O-CB 3.29Å; E132-T136 WeakPolarHBondContact O-CG2 3.46Å; E132-T136 PolarHBondContact O-N 3.4Å; E132-T136 PolarHBondContact O-OG1 2.92Å; V133-T136 PolarHBondContact O-OG1 3.14Å; T136-K140 WeakPolarHBondContact O-CB 3.02Å; T136-K140 PolarHBondContact O-N 2.68Å; T136-T160 VanDerWaalsContact OG1-CG2 3.3Å; T136-T160 WeakPolarHBondContact OG1-CG2 3.45Å
137A94.4Very high91.3Very high4 Ų462.3 Ų62.33%0.03331%0.308CS..Hα-helixtrans-74.1-24.7174.700000113.9V133 T134 R135 A164 F169 I173 R177V133-A137 WeakPolarHBondContact O-CB 3.45Å; V133-A137 PolarHBondContact O-N 3.08Å; V133-A137 VanDerWaalsContact O-N 3.13Å; T134-A137 PolarHBondContact O-N 2.96Å; R135-A137 VanDerWaalsContact C-N 3.29Å; R135-A137 PolarHBondContact O-N 3.17Å; A137-A164 HydrophobicContact CB-CB 3.97Å; A137-F169 HydrophobicContact CB-CE1 3.55Å; A137-F169 HydrophobicContact CB-CZ 3.93Å; A137-I173 HydrophobicContact CB-CD1 4.07Å; A137-I173 HydrophobicContact CB-CG1 4.24Å; A137-I173 VanDerWaalsContact O-CG2 3.28Å; A137-I173 WeakPolarHBondContact O-CG2 3.45Å; A137-R177 PolarHBondContact O-NH2 2.86Å
138L92.2Very high90.9Very high32 Ų3256.3 Ų56.317%0.16829%0.287CS..Hα-helixtrans-76.5-46.7170-72.6164.7000110.8L69 V73 T134 R135 I173 I176 R177L69-L138 HydrophobicContact CD1-CD1 3.99Å; V73-L138 HydrophobicContact CG2-CD1 3.92Å; T134-L138 HydrophobicContact CG2-CD1 4.16Å; T134-L138 VanDerWaalsContact O-CG 3.32Å; T134-L138 WeakPolarHBondContact O-CG 3.35Å; T134-L138 PolarHBondContact O-N 2.86Å; R135-L138 WeakPolarHBondContact O-CB 3.43Å; R135-L138 PolarHBondContact O-N 2.96Å; L138-I173 HydrophobicContact CD2-CD1 4.01Å; L138-I173 HydrophobicContact CD2-CG2 4.35Å; L138-I173 HydrophobicContact CG-CD1 3.96Å; L138-I176 HydrophobicContact CD2-CB 4.08Å; L138-I176 HydrophobicContact CD2-CG2 3.63Å; L138-R177 HydrophobicContact CD2-CG 4.38Å; L138-R177 PolarHBondContact O-NE 3.3Å; L138-R177 PolarHBondContact O-NH2 3.5Å
139E90.7Very high90.7Very high128 Ų12863.6 Ų63.660%0.59832%0.319SS*.Hα-helixtrans-64.6-42.6-179.4-69.9158.9-159.400113.6R135R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 VanDerWaalsContact O-CG 3.25Å; R135-E139 WeakPolarHBondContact O-CG 3.48Å; R135-E139 PolarHBondContact O-N 3.47Å
140K87.5Confident90.3Very high113 Ų11366.4 Ų66.449%0.49133%0.331SS..SBendtrans-122.5141.2-167.3-58.7176.1-173.51770111.6T136 L142 R177T136-K140 WeakPolarHBondContact O-CB 3.02Å; T136-K140 PolarHBondContact O-N 2.68Å; K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 HydrophobicContact CB-CD2 3.82Å; K140-L142 HydrophobicContact CB-CG 3.82Å; K140-L142 HydrophobicContact CD-CD2 4.31Å; K140-L142 PolarHBondContact O-N 3.43Å; K140-R177 VanDerWaalsContact C-NH2 3.28Å; K140-R177 PolarHBondContact O-NH2 3.11Å
141N82.6Confident89.8Confident144 Ų14471.3 Ų71.377%0.7736%0.363SS*.  trans-82.272.1171.9-75.1-36.3000110.3N143 R177N141-N143 PolarHBondContact O-N 3.33Å; N141-R177 VanDerWaalsContact OD1-CZ 3.26Å; N141-R177 PolarHBondContact OD1-NH1 2.78Å; N141-R177 PolarHBondContact OD1-NH2 3.34Å
142L82.4Confident89.5Confident45 Ų4579.4 Ų79.424%0.23640%0.397CS..  trans-79.198.5-176.6-60.9-179.2000111.9K140 T160 A161 A164 S165K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 HydrophobicContact CB-CD2 3.82Å; K140-L142 HydrophobicContact CB-CG 3.82Å; K140-L142 HydrophobicContact CD-CD2 4.31Å; K140-L142 PolarHBondContact O-N 3.43Å; L142-T160 HydrophobicContact CD1-CG2 4.14Å; L142-A161 HydrophobicContact CB-CB 4.12Å; L142-A164 HydrophobicContact CB-CB 4.21Å; L142-S165 PolarHBondContact O-OG 3.11Å
143N87.3Confident89.2Confident74 Ų7476.6 Ų76.640%0.39639%0.386SS..  trans-80.9121.3159.5-176.6-9.8000109.5N141 E145 C146 V147N141-N143 PolarHBondContact O-N 3.33Å; N143-E145 PolarHBondContact O-N 3.14Å; N143-E145 PolarHBondContact OD1-N 2.96Å; N143-C146 HydrophobicContact CB-CB 4.45Å; N143-C146 PolarHBondContact O-N 3.44Å; N143-V147 PolarHBondContact O-N 2.75Å
144F87.9Confident89.1Confident50 Ų5079.9 Ų79.922%0.21941%0.406CS..Hα-helixtrans-49.2-37.2174.1167.6-105.3000114.1V147 C148 R158 R162 S165F144-V147 PolarHBondContact O-N 2.95Å; F144-C148 WeakPolarHBondContact CE2-SG 3.37Å; F144-C148 WeakPolarHBondContact CZ-SG 3.27Å; F144-C148 PolarHBondContact O-N 3.44Å; F144-C148 PolarHBondContact O-SG 3.04Å; F144-R158 HydrophobicContact CD2-CG 4.46Å; F144-R158 HydrophobicContact CE2-CG 3.93Å; F144-R162 HydrophobicContact CD2-CB 3.59Å; F144-R162 HydrophobicContact CD2-CG 4.07Å; F144-R162 HydrophobicContact CE2-CB 3.94Å; F144-R162 HydrophobicContact CE2-CG 4.19Å; F144-R162 HydrophobicContact CG-CB 4.37Å; F144-S165 WeakPolarHBondContact CB-OG 3.44Å; F144-S165 PolarHBondContact N-OG 3.22Å
145E89.1Confident89Confident116 Ų11681.8 Ų81.854%0.54242%0.415SS..Hα-helixtrans-73.3-44.4-175.9-65.2-178.5-172.100112.5N143 V147 C148 K149N143-E145 PolarHBondContact O-N 3.14Å; N143-E145 PolarHBondContact OD1-N 2.96Å; E145-V147 VanDerWaalsContact C-N 3.27Å; E145-V147 PolarHBondContact O-N 2.86Å; E145-C148 WeakPolarHBondContact O-CA 3.49Å; E145-C148 WeakPolarHBondContact O-CB 3.31Å; E145-C148 PolarHBondContact O-N 2.95Å; E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 2.68Å
146C85.8Confident88.9Confident68 Ų6879.8 Ų79.846%0.45941%0.413SS..Hα-helixtrans-57.9-43.3173.5-54.70000110.5N143 C148 K149 N150N143-C146 HydrophobicContact CB-CB 4.45Å; N143-C146 PolarHBondContact O-N 3.44Å; C146-C148 VanDerWaalsContact C-N 3.3Å; C146-C148 PolarHBondContact O-N 2.92Å; C146-K149 PolarHBondContact O-N 2.91Å; C146-N150 PolarHBondContact O-N 3.19Å; C146-N150 PolarHBondContact O-ND2 3.39Å
147V89.9Confident88.8Confident18 Ų1881.8 Ų81.811%0.10942%0.423CS..Hα-helixtrans-66.1-30.5175.3179.30000112N143 F144 E145 S153 D157 R158 A161N143-V147 PolarHBondContact O-N 2.75Å; F144-V147 PolarHBondContact O-N 2.95Å; E145-V147 VanDerWaalsContact C-N 3.27Å; E145-V147 PolarHBondContact O-N 2.86Å; V147-S153 WeakPolarHBondContact O-CB 3.2Å; V147-S153 PolarHBondContact O-OG 2.99Å; V147-D157 HydrophobicContact CG1-CB 4.11Å; V147-R158 HydrophobicContact CG1-CB 4.23Å; V147-A161 HydrophobicContact CB-CB 4.02Å; V147-A161 HydrophobicContact CG1-CB 4.21Å; V147-A161 HydrophobicContact CG2-CB 3.84Å
148C86.1Confident88.7Confident48 Ų4883.8 Ų83.832%0.32443%0.43SS..Hα-helixtrans-72.9-35.4172.8-71.70000114.1F144 E145 C146F144-C148 WeakPolarHBondContact CE2-SG 3.37Å; F144-C148 WeakPolarHBondContact CZ-SG 3.27Å; F144-C148 PolarHBondContact O-N 3.44Å; F144-C148 PolarHBondContact O-SG 3.04Å; E145-C148 WeakPolarHBondContact O-CA 3.49Å; E145-C148 WeakPolarHBondContact O-CB 3.31Å; E145-C148 PolarHBondContact O-N 2.95Å; C146-C148 VanDerWaalsContact C-N 3.3Å; C146-C148 PolarHBondContact O-N 2.92Å
149K89.8Confident88.8Confident169 Ų16982.3 Ų82.374%0.73542%0.422SS*.Hα-helixtrans-71.8-30.5177.1-67.5176.3-176.8179.90111.9E145 C146 P151E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 2.68Å; C146-K149 PolarHBondContact O-N 2.91Å; K149-P151 WeakPolarHBondContact O-CD 2.94Å
150N87.9Confident89Confident90 Ų9076.8 Ų76.848%0.48140%0.397SS..  trans-71118.5-177.7-73.9-19.1000113.3C146 K152 S153C146-N150 PolarHBondContact O-N 3.19Å; C146-N150 PolarHBondContact O-ND2 3.39Å; N150-K152 VanDerWaalsContact C-N 3.26Å; N150-K152 PolarHBondContact O-N 2.91Å; N150-S153 WeakPolarHBondContact O-CB 3.33Å; N150-S153 PolarHBondContact O-N 3.25Å; N150-S153 PolarHBondContact O-OG 3.17Å
151P85.9Confident89.4Confident129 Ų12971.4 Ų71.484%0.83837%0.374SS*.THydrogen-bonded Turntrans-71-20.3-179.228.8-35.6000113.5K149 S153K149-P151 WeakPolarHBondContact O-CD 2.94Å; P151-S153 VanDerWaalsContact C-N 3.29Å
152K88Confident89.9Confident203 Ų20366.6 Ų66.688%0.88335%0.345SS*.THydrogen-bonded Turntrans-82.61.3175.1-60.3-178.9-178.9178.20113.6N150N150-K152 VanDerWaalsContact C-N 3.26Å; N150-K152 PolarHBondContact O-N 2.91Å
153S88.3Confident90.5Very high24 Ų2464.4 Ų64.417%0.16833%0.333CS..  trans-73.8129.2-178.758.10000112V147 N150 P151 R158V147-S153 WeakPolarHBondContact O-CB 3.2Å; V147-S153 PolarHBondContact O-OG 2.99Å; N150-S153 WeakPolarHBondContact O-CB 3.33Å; N150-S153 PolarHBondContact O-N 3.25Å; N150-S153 PolarHBondContact O-OG 3.17Å; P151-S153 VanDerWaalsContact C-N 3.29Å; S153-R158 PolarHBondContact OG-NH2 3.17Å
154T92.9Very high90.9Very high69 Ų6961.4 Ų61.442%0.42332%0.319SS..  trans-78.9161.2169.775.10000110.8L156 D157 R158T154-L156 PolarHBondContact O-N 3.11Å; T154-L156 PolarHBondContact OG1-N 2.69Å; T154-D157 VanDerWaalsContact CB-OD2 3.26Å; T154-D157 WeakPolarHBondContact CB-OD2 3.44Å; T154-D157 WeakPolarHBondContact CG2-OD2 3.47Å; T154-D157 PolarHBondContact N-OD2 3.48Å; T154-D157 PolarHBondContact O-N 2.74Å; T154-D157 VanDerWaalsContact OG1-CG 3.23Å; T154-D157 PolarHBondContact OG1-N 3.12Å; T154-D157 PolarHBondContact OG1-OD2 2.96Å; T154-R158 PolarHBondContact O-N 3.14Å
155M91.5Very high91.2Very high40 Ų4061 Ų6120%0.19732%0.322CS..Hα-helixtrans-66.6-16.3172.5-63-62.5-87.200112.7R117 E120 E121 S124 R158 A159R117-M155 HydrophobicContact CB-CE 4.37Å; R117-M155 WeakPolarHBondContact O-CE 3.43Å; E120-M155 HydrophobicContact CB-CE 3.77Å; E121-M155 HydrophobicContact CB-CE 3.85Å; E121-M155 HydrophobicContact CG-CE 4.49Å; S124-M155 VanDerWaalsContact CB-O 3.24Å; S124-M155 WeakPolarHBondContact CB-O 3.4Å; S124-M155 PolarHBondContact OG-O 2.75Å; M155-R158 PolarHBondContact SD-NH1 2.85Å; M155-A159 WeakPolarHBondContact O-CB 3.07Å; M155-A159 PolarHBondContact O-N 3.37Å
156L91.9Very high91.5Very high78 Ų7857.4 Ų57.441%0.40831%0.305SS..Hα-helixtrans-77.9-43170.4-69.9166.2000111.1L128 T154 R158 A159 T160L128-L156 HydrophobicContact CD2-CB 4.49Å; L128-L156 HydrophobicContact CD2-CD2 3.93Å; L128-L156 HydrophobicContact CG-CD2 4.09Å; T154-L156 PolarHBondContact O-N 3.11Å; T154-L156 PolarHBondContact OG1-N 2.69Å; L156-R158 PolarHBondContact O-N 3.16Å; L156-A159 PolarHBondContact O-N 3.2Å; L156-T160 WeakPolarHBondContact O-CB 3.43Å; L156-T160 PolarHBondContact O-N 2.75Å; L156-T160 PolarHBondContact O-OG1 2.79Å
157D92.1Very high91.9Very high76 Ų7658.3 Ų58.341%0.40631%0.31SS..Hα-helixtrans-61.4-45.1175.1-58.7-59.4000110.9V147 T154 T160 A161V147-D157 HydrophobicContact CG1-CB 4.11Å; T154-D157 VanDerWaalsContact CB-OD2 3.26Å; T154-D157 WeakPolarHBondContact CB-OD2 3.44Å; T154-D157 WeakPolarHBondContact CG2-OD2 3.47Å; T154-D157 PolarHBondContact N-OD2 3.48Å; T154-D157 PolarHBondContact O-N 2.74Å; T154-D157 VanDerWaalsContact OG1-CG 3.23Å; T154-D157 PolarHBondContact OG1-N 3.12Å; T154-D157 PolarHBondContact OG1-OD2 2.96Å; D157-T160 PolarHBondContact O-N 2.96Å; D157-A161 VanDerWaalsContact O-CB 3.31Å; D157-A161 WeakPolarHBondContact O-CB 3.24Å; D157-A161 PolarHBondContact O-N 2.7Å
158R93.5Very high92Very high46 Ų4662.5 Ų62.517%0.17433%0.328CS..Hα-helixtrans-63.6-44.9179.1-167.2174.8-66.3154.54.3112.2F144 V147 S153 T154 M155 L156 T160 A161 R162F144-R158 HydrophobicContact CD2-CG 4.46Å; F144-R158 HydrophobicContact CE2-CG 3.93Å; V147-R158 HydrophobicContact CG1-CB 4.23Å; S153-R158 PolarHBondContact OG-NH2 3.17Å; T154-R158 PolarHBondContact O-N 3.14Å; M155-R158 PolarHBondContact SD-NH1 2.85Å; L156-R158 PolarHBondContact O-N 3.16Å; R158-T160 VanDerWaalsContact C-N 3.34Å; R158-T160 PolarHBondContact O-N 2.72Å; R158-A161 PolarHBondContact O-N 3.3Å; R158-R162 WeakPolarHBondContact O-CB 3.36Å; R158-R162 PolarHBondContact O-N 2.78Å
159A94.6Very high92.4Very high0 Ų060.2 Ų60.20%031%0.313CS..Hα-helixtrans-61.8-40.6174.100000112.2E121 M125 L128 M155 L156 I163E121-A159 HydrophobicContact CG-CB 4.01Å; M125-A159 HydrophobicContact CB-CB 4.46Å; M125-A159 HydrophobicContact CG-CB 3.61Å; L128-A159 HydrophobicContact CD1-CB 3.68Å; M155-A159 WeakPolarHBondContact O-CB 3.07Å; M155-A159 PolarHBondContact O-N 3.37Å; L156-A159 PolarHBondContact O-N 3.2Å; A159-I163 WeakPolarHBondContact O-CG1 3.5Å; A159-I163 PolarHBondContact O-N 2.85Å
160T94.7Very high92.6Very high13 Ų1358.8 Ų58.88%0.0830%0.303CS..Hα-helixtrans-65.5-49.5176.8-58.70000110.9L128 V133 T136 L142 L156 D157 R158 R162 I163 A164L128-T160 VanDerWaalsContact CD1-OG1 3.27Å; L128-T160 WeakPolarHBondContact CD1-OG1 3.5Å; L128-T160 WeakPolarHBondContact CD2-OG1 3.22Å; V133-T160 HydrophobicContact CG2-CG2 4.37Å; T136-T160 VanDerWaalsContact OG1-CG2 3.3Å; T136-T160 WeakPolarHBondContact OG1-CG2 3.45Å; L142-T160 HydrophobicContact CD1-CG2 4.14Å; L156-T160 WeakPolarHBondContact O-CB 3.43Å; L156-T160 PolarHBondContact O-N 2.75Å; L156-T160 PolarHBondContact O-OG1 2.79Å; D157-T160 PolarHBondContact O-N 2.96Å; R158-T160 VanDerWaalsContact C-N 3.34Å; R158-T160 PolarHBondContact O-N 2.72Å; T160-R162 VanDerWaalsContact C-N 3.34Å; T160-R162 PolarHBondContact O-N 3.08Å; T160-I163 PolarHBondContact O-N 3.45Å; T160-I163 VanDerWaalsContact O-N 3.12Å; T160-A164 WeakPolarHBondContact O-CB 3.46Å; T160-A164 PolarHBondContact O-N 3.03Å
161A94.9Very high92.9Very high0 Ų061.7 Ų61.70%031%0.311CS..Hα-helixtrans-61.4-39.3177.800000112L142 V147 D157 R158 I163 A164 S165L142-A161 HydrophobicContact CB-CB 4.12Å; V147-A161 HydrophobicContact CB-CB 4.02Å; V147-A161 HydrophobicContact CG1-CB 4.21Å; V147-A161 HydrophobicContact CG2-CB 3.84Å; D157-A161 VanDerWaalsContact O-CB 3.31Å; D157-A161 WeakPolarHBondContact O-CB 3.24Å; D157-A161 PolarHBondContact O-N 2.7Å; R158-A161 PolarHBondContact O-N 3.3Å; A161-I163 VanDerWaalsContact C-N 3.29Å; A161-I163 PolarHBondContact O-N 3.23Å; A161-A164 PolarHBondContact O-N 2.94Å; A161-A164 VanDerWaalsContact O-N 3.17Å; A161-S165 PolarHBondContact O-N 2.63Å; A161-S165 PolarHBondContact O-OG 3.12Å; A161-S165 VanDerWaalsContact O-OG 3.05Å
162R94.1Very high93.3Very high42 Ų4259.7 Ų59.716%0.15829%0.289CS..Hα-helixtrans-63.6-32.5175.2-168.1175.8-73.415012.3112.9I87 E121 F144 R158 T160I87-R162 HydrophobicContact CD1-CG 4.47Å; I87-R162 WeakPolarHBondContact CD1-O 3.39Å; I87-R162 HydrophobicContact CG2-CG 4.15Å; E121-R162 VanDerWaalsContact CD-NH2 3.33Å; E121-R162 IonicContact OE1-CZ 3.42Å; E121-R162 IonicContact OE1-NE 2.68Å; E121-R162 PolarHBondContact OE1-NE 3.01Å; E121-R162 IonicContact OE1-NH1 3.09Å; E121-R162 PolarHBondContact OE1-NH1 3.42Å; E121-R162 IonicContact OE1-NH2 3.36Å; E121-R162 PolarHBondContact OE1-NH2 2.88Å; E121-R162 VanDerWaalsContact OE1-NH2 3.12Å; E121-R162 IonicContact OE2-CZ 3.43Å; E121-R162 IonicContact OE2-NH1 2.69Å; E121-R162 PolarHBondContact OE2-NH1 3.35Å; E121-R162 IonicContact OE2-NH2 3.33Å; E121-R162 PolarHBondContact OE2-NH2 3.04Å; F144-R162 HydrophobicContact CD2-CB 3.59Å; F144-R162 HydrophobicContact CD2-CG 4.07Å; F144-R162 HydrophobicContact CE2-CB 3.94Å; F144-R162 HydrophobicContact CE2-CG 4.19Å; F144-R162 HydrophobicContact CG-CB 4.37Å; R158-R162 WeakPolarHBondContact O-CB 3.36Å; R158-R162 PolarHBondContact O-N 2.78Å; T160-R162 VanDerWaalsContact C-N 3.34Å; T160-R162 PolarHBondContact O-N 3.08Å
163I94.9Very high93.6Very high0 Ų050.3 Ų50.30%025%0.249CC..Hα-helixtrans-74.7-43172-60162000110.2V80 V83 I87 M125 L128 V133 A159 T160 A161 S165 H166 F169V80-I163 HydrophobicContact CG1-CG2 4.32Å; V83-I163 HydrophobicContact CG1-CG2 3.96Å; I87-I163 HydrophobicContact CD1-CB 4.5Å; I87-I163 HydrophobicContact CD1-CG1 4.11Å; M125-I163 HydrophobicContact CE-CD1 3.86Å; M125-I163 HydrophobicContact CE-CG1 3.68Å; L128-I163 HydrophobicContact CD1-CD1 4.39Å; V133-I163 HydrophobicContact CG1-CB 3.91Å; V133-I163 HydrophobicContact CG1-CD1 4.31Å; V133-I163 HydrophobicContact CG1-CG2 3.57Å; V133-I163 HydrophobicContact CG2-CD1 4.16Å; A159-I163 WeakPolarHBondContact O-CG1 3.5Å; A159-I163 PolarHBondContact O-N 2.85Å; T160-I163 PolarHBondContact O-N 3.45Å; T160-I163 VanDerWaalsContact O-N 3.12Å; A161-I163 VanDerWaalsContact C-N 3.29Å; A161-I163 PolarHBondContact O-N 3.23Å; I163-S165 PolarHBondContact O-N 3.02Å; I163-H166 VanDerWaalsContact O-CB 3.29Å; I163-H166 WeakPolarHBondContact O-CB 3.21Å; I163-H166 PolarHBondContact O-N 3.07Å; I163-H166 VanDerWaalsContact O-N 3.17Å; I163-F169 WeakPolarHBondContact O-CD1 3.47Å
164A94.9Very high93.9Very high11 Ų1152.6 Ų52.69%0.09126%0.257CS..Hα-helixtrans-59.9-44.6-179.800000113A137 L142 T160 A161 H166 F169A137-A164 HydrophobicContact CB-CB 3.97Å; L142-A164 HydrophobicContact CB-CB 4.21Å; T160-A164 WeakPolarHBondContact O-CB 3.46Å; T160-A164 PolarHBondContact O-N 3.03Å; A161-A164 PolarHBondContact O-N 2.94Å; A161-A164 VanDerWaalsContact O-N 3.17Å; A164-H166 PolarHBondContact O-N 3.11Å; A164-F169 HydrophobicContact CB-CE1 4.45Å
165S94Very high93.9Very high40 Ų4053 Ų5328%0.2826%0.263SS..THydrogen-bonded Turntrans-76.2-0.6178.5-47.10000114.2L142 F144 A161 I163L142-S165 PolarHBondContact O-OG 3.11Å; F144-S165 WeakPolarHBondContact CB-OG 3.44Å; F144-S165 PolarHBondContact N-OG 3.22Å; A161-S165 PolarHBondContact O-N 2.63Å; A161-S165 PolarHBondContact O-OG 3.12Å; A161-S165 VanDerWaalsContact O-OG 3.05Å; I163-S165 PolarHBondContact O-N 3.02Å
166H95.1Very high94Very high41 Ų4151.6 Ų51.619%0.1926%0.256CS..  trans-72.5126.5-178.5-175.2-91.8000111.5V83 I87 I163 A164 Q168 F169 R170V83-H166 HydrophobicContact CG1-CB 3.57Å; V83-H166 VanDerWaalsContact CG1-CG 3.41Å; V83-H166 WeakPolarHBondContact CG2-ND1 3.24Å; I87-H166 HydrophobicContact CD1-CB 4.18Å; I163-H166 VanDerWaalsContact O-CB 3.29Å; I163-H166 WeakPolarHBondContact O-CB 3.21Å; I163-H166 PolarHBondContact O-N 3.07Å; I163-H166 VanDerWaalsContact O-N 3.17Å; A164-H166 PolarHBondContact O-N 3.11Å; H166-Q168 PolarHBondContact O-N 3.28Å; H166-Q168 VanDerWaalsContact O-N 3.11Å; H166-F169 WeakPolarHBondContact O-CA 3.23Å; H166-F169 PolarHBondContact O-N 3.37Å; H166-R170 PolarHBondContact O-N 3.05Å
167P94.2Very high94Very high87 Ų8751.3 Ų51.357%0.56525%0.249SC*.Hα-helixtrans-52.1-44.2-167.6-31.535.6000115.9F169 K171P167-F169 PolarHBondContact O-N 2.86Å; P167-K171 WeakPolarHBondContact O-CG 3.39Å; P167-K171 PolarHBondContact O-N 3.47Å; P167-K171 VanDerWaalsContact O-N 3.11Å
168Q92.9Very high94.1Very high106 Ų10649.9 Ų49.950%0.49525%0.248SC..Hα-helixtrans-66.2-22.9179.5-67.1179.6-20.500114.2H166H166-Q168 PolarHBondContact O-N 3.28Å; H166-Q168 VanDerWaalsContact O-N 3.11Å
169F95Very high94Very high0 Ų049.2 Ų49.20%025%0.253CS..Hα-helixtrans-94.7-45.9178.1178.6-101.4000110.3M76 V80 V83 V133 A137 I163 A164 H166 P167 K171 K172 I173M76-F169 HydrophobicContact CE-CD2 3.28Å; M76-F169 HydrophobicContact CE-CE2 3.33Å; M76-F169 HydrophobicContact CE-CG 4.3Å; M76-F169 HydrophobicContact CE-CZ 4.39Å; V80-F169 HydrophobicContact CG2-CD2 3.88Å; V80-F169 HydrophobicContact CG2-CE2 3.26Å; V80-F169 HydrophobicContact CG2-CZ 3.92Å; V83-F169 HydrophobicContact CG2-CB 4.28Å; V133-F169 HydrophobicContact CG1-CE1 4.49Å; V133-F169 HydrophobicContact CG1-CZ 4.25Å; A137-F169 HydrophobicContact CB-CE1 3.55Å; A137-F169 HydrophobicContact CB-CZ 3.93Å; I163-F169 WeakPolarHBondContact O-CD1 3.47Å; A164-F169 HydrophobicContact CB-CE1 4.45Å; H166-F169 WeakPolarHBondContact O-CA 3.23Å; H166-F169 PolarHBondContact O-N 3.37Å; P167-F169 PolarHBondContact O-N 2.86Å; F169-K171 PolarHBondContact O-N 2.85Å; F169-K172 PolarHBondContact O-N 2.85Å; F169-I173 HydrophobicContact CD1-CG1 3.97Å; F169-I173 HydrophobicContact CE1-CD1 4.03Å; F169-I173 HydrophobicContact CE1-CG1 3.61Å; F169-I173 HydrophobicContact CE2-CD1 4.16Å; F169-I173 HydrophobicContact CE2-CG1 4.2Å; F169-I173 HydrophobicContact CG-CG1 4.44Å; F169-I173 HydrophobicContact CZ-CD1 3.68Å; F169-I173 HydrophobicContact CZ-CG1 3.74Å; F169-I173 WeakPolarHBondContact O-CG1 3.44Å; F169-I173 PolarHBondContact O-N 2.88Å
170R93.9Very high93.8Very high139 Ų13951.4 Ų51.453%0.52527%0.266SS..Hα-helixtrans-48.1-54.4174.1-174.8-170.8159.7-168.1-11.1111.7H166 K172 I173 E174H166-R170 PolarHBondContact O-N 3.05Å; R170-K172 PolarHBondContact O-N 3.17Å; R170-K172 VanDerWaalsContact O-N 3.12Å; R170-I173 PolarHBondContact O-N 3.28Å; R170-I173 VanDerWaalsContact O-N 3.09Å; R170-E174 HydrophobicContact CG-CG 4.45Å; R170-E174 IonicContact CZ-OE1 3.12Å; R170-E174 IonicContact NE-OE1 2.64Å; R170-E174 PolarHBondContact NE-OE1 3.21Å; R170-E174 IonicContact NE-OE2 2.77Å; R170-E174 PolarHBondContact NE-OE2 2.63Å; R170-E174 IonicContact NH2-OE1 3.48Å; R170-E174 PolarHBondContact NH2-OE1 3.17Å; R170-E174 WeakPolarHBondContact O-CG 3.27Å; R170-E174 PolarHBondContact O-N 3.02Å
171K94Very high93.6Very high151 Ų15156.6 Ų56.666%0.65729%0.287SS*.Hα-helixtrans-53.5-37.2-179.9-73.6-170.2176.2-162.20113.2P167 F169 S175P167-K171 WeakPolarHBondContact O-CG 3.39Å; P167-K171 PolarHBondContact O-N 3.47Å; P167-K171 VanDerWaalsContact O-N 3.11Å; F169-K171 PolarHBondContact O-N 2.85Å; K171-S175 PolarHBondContact O-N 2.91Å; K171-S175 PolarHBondContact O-OG 3.46Å
172K93.6Very high93.4Very high87 Ų8760.9 Ų60.938%0.37831%0.31SS..Hα-helixtrans-78.2-37.7-179.9-66.6-172.9172.4-170.30113M76 E79 F169 R170 E174 S175 I176M76-K172 HydrophobicContact CE-CB 3.7Å; M76-K172 HydrophobicContact CE-CD 4.28Å; M76-K172 HydrophobicContact SD-CB 3.84Å; M76-K172 HydrophobicContact SD-CD 3.96Å; E79-K172 HydrophobicContact CG-CD 4.17Å; E79-K172 IonicContact OE2-NZ 2.68Å; E79-K172 PolarHBondContact OE2-NZ 3.05Å; F169-K172 PolarHBondContact O-N 2.85Å; R170-K172 PolarHBondContact O-N 3.17Å; R170-K172 VanDerWaalsContact O-N 3.12Å; K172-E174 VanDerWaalsContact C-N 3.25Å; K172-E174 PolarHBondContact O-N 3.36Å; K172-S175 PolarHBondContact O-N 3.08Å; K172-I176 VanDerWaalsContact O-CG1 3.31Å; K172-I176 WeakPolarHBondContact O-CG1 3.49Å; K172-I176 PolarHBondContact O-N 2.83Å
173I94.4Very high93.2Very high6 Ų662.9 Ų62.93%0.03132%0.32CS..Hα-helixtrans-61.4-38.4171.3-67.1-67.3000110.2M76 T134 A137 L138 F169 R170 R177M76-I173 HydrophobicContact CE-CD1 4.42Å; M76-I173 HydrophobicContact CE-CG1 4.5Å; T134-I173 HydrophobicContact CG2-CD1 4.17Å; A137-I173 HydrophobicContact CB-CD1 4.07Å; A137-I173 HydrophobicContact CB-CG1 4.24Å; A137-I173 VanDerWaalsContact O-CG2 3.28Å; A137-I173 WeakPolarHBondContact O-CG2 3.45Å; L138-I173 HydrophobicContact CD2-CD1 4.01Å; L138-I173 HydrophobicContact CD2-CG2 4.35Å; L138-I173 HydrophobicContact CG-CD1 3.96Å; F169-I173 HydrophobicContact CD1-CG1 3.97Å; F169-I173 HydrophobicContact CE1-CD1 4.03Å; F169-I173 HydrophobicContact CE1-CG1 3.61Å; F169-I173 HydrophobicContact CE2-CD1 4.16Å; F169-I173 HydrophobicContact CE2-CG1 4.2Å; F169-I173 HydrophobicContact CG-CG1 4.44Å; F169-I173 HydrophobicContact CZ-CD1 3.68Å; F169-I173 HydrophobicContact CZ-CG1 3.74Å; F169-I173 WeakPolarHBondContact O-CG1 3.44Å; F169-I173 PolarHBondContact O-N 2.88Å; R170-I173 PolarHBondContact O-N 3.28Å; R170-I173 VanDerWaalsContact O-N 3.09Å; I173-R177 WeakPolarHBondContact O-CB 3.32Å; I173-R177 VanDerWaalsContact O-CG 3.25Å; I173-R177 WeakPolarHBondContact O-CG 3.4Å; I173-R177 PolarHBondContact O-N 2.97Å
174E94Very high92.9Very high72 Ų7271.4 Ų71.434%0.33635%0.352SS..Hα-helixtrans-66.3-45174.5-71.2167149.400112.1R170 K172 I176 R177 A178R170-E174 HydrophobicContact CG-CG 4.45Å; R170-E174 IonicContact CZ-OE1 3.12Å; R170-E174 IonicContact NE-OE1 2.64Å; R170-E174 PolarHBondContact NE-OE1 3.21Å; R170-E174 IonicContact NE-OE2 2.77Å; R170-E174 PolarHBondContact NE-OE2 2.63Å; R170-E174 IonicContact NH2-OE1 3.48Å; R170-E174 PolarHBondContact NH2-OE1 3.17Å; R170-E174 WeakPolarHBondContact O-CG 3.27Å; R170-E174 PolarHBondContact O-N 3.02Å; K172-E174 VanDerWaalsContact C-N 3.25Å; K172-E174 PolarHBondContact O-N 3.36Å; E174-I176 PolarHBondContact O-N 3.22Å; E174-R177 PolarHBondContact O-N 3.49Å; E174-A178 PolarHBondContact O-N 2.96Å
175S93.6Very high92.8Very high79 Ų7973.6 Ų73.655%0.55236%0.361SS*.Hα-helixtrans-57.8-44.3173.4-52.10000113K171 K172 A178 A179K171-S175 PolarHBondContact O-N 2.91Å; K171-S175 PolarHBondContact O-OG 3.46Å; K172-S175 PolarHBondContact O-N 3.08Å; S175-A178 PolarHBondContact O-N 3.37Å; S175-A179 PolarHBondContact O-N 3.19Å
176I92.8Very high92.5Very high9 Ų976.9 Ų76.95%0.04637%0.372CS..Hα-helixtrans-65.5-41177.9-65.3162.6000110.4L69 E72 M76 L138 K172 E174 V180L69-I176 HydrophobicContact CD1-CG2 3.57Å; E72-I176 HydrophobicContact CB-CD1 4Å; E72-I176 HydrophobicContact CB-CG1 4.39Å; E72-I176 HydrophobicContact CG-CG1 4.48Å; M76-I176 HydrophobicContact CG-CD1 4.09Å; M76-I176 HydrophobicContact SD-CD1 4.4Å; L138-I176 HydrophobicContact CD2-CB 4.08Å; L138-I176 HydrophobicContact CD2-CG2 3.63Å; K172-I176 VanDerWaalsContact O-CG1 3.31Å; K172-I176 WeakPolarHBondContact O-CG1 3.49Å; K172-I176 PolarHBondContact O-N 2.83Å; E174-I176 PolarHBondContact O-N 3.22Å; I176-V180 HydrophobicContact CG2-CG2 4.37Å; I176-V180 WeakPolarHBondContact O-CB 3.48Å; I176-V180 VanDerWaalsContact O-CG2 3.23Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 2.89Å
177R92.8Very high92.1Very high72 Ų7283.1 Ų83.127%0.27239%0.394SS..Hα-helixtrans-65.7-39.7177.5-79.4170164.7179.3-9.2113.1A137 L138 K140 N141 I173 E174 K181A137-R177 PolarHBondContact O-NH2 2.86Å; L138-R177 HydrophobicContact CD2-CG 4.38Å; L138-R177 PolarHBondContact O-NE 3.3Å; L138-R177 PolarHBondContact O-NH2 3.5Å; K140-R177 VanDerWaalsContact C-NH2 3.28Å; K140-R177 PolarHBondContact O-NH2 3.11Å; N141-R177 VanDerWaalsContact OD1-CZ 3.26Å; N141-R177 PolarHBondContact OD1-NH1 2.78Å; N141-R177 PolarHBondContact OD1-NH2 3.34Å; I173-R177 WeakPolarHBondContact O-CB 3.32Å; I173-R177 VanDerWaalsContact O-CG 3.25Å; I173-R177 WeakPolarHBondContact O-CG 3.4Å; I173-R177 PolarHBondContact O-N 2.97Å; E174-R177 PolarHBondContact O-N 3.49Å; R177-K181 WeakPolarHBondContact O-CB 3.33Å; R177-K181 PolarHBondContact O-N 3.26Å
178A93.3Very high91.8Very high46 Ų4682.7 Ų82.738%0.3839%0.389SS..Hα-helixtrans-58.8-59174.700000110.2E174 S175 V180 K181 D182E174-A178 PolarHBondContact O-N 2.96Å; S175-A178 PolarHBondContact O-N 3.37Å; A178-V180 VanDerWaalsContact C-N 3.28Å; A178-V180 PolarHBondContact O-N 3.12Å; A178-K181 CarbonylContact O-C 3.56Å; A178-K181 WeakPolarHBondContact O-CA 3.31Å; A178-K181 VanDerWaalsContact O-CB 3.27Å; A178-K181 WeakPolarHBondContact O-CB 3.32Å; A178-K181 PolarHBondContact O-N 3.24Å; A178-D182 VanDerWaalsContact C-OD2 3.31Å; A178-D182 PolarHBondContact O-N 3.41Å; A178-D182 VanDerWaalsContact O-OD2 3.09Å
179A91.8Very high91.3Very high33 Ų3383.2 Ų83.227%0.27339%0.39SS..Hα-helixtrans-61.9-31.3-179.300000113.9L67 S175 F183L67-A179 HydrophobicContact CD1-CB 3.37Å; L67-A179 HydrophobicContact CG-CB 4.41Å; S175-A179 PolarHBondContact O-N 3.19Å; A179-F183 VanDerWaalsContact O-CB 3.31Å; A179-F183 WeakPolarHBondContact O-CB 3.42Å; A179-F183 PolarHBondContact O-N 3.01Å
180V90.4Very high90.5Very high45 Ų4586 Ų8627%0.27341%0.413SS..Hα-helixtrans-69.5-33.2171.1168.30000112.4L69 I176 A178 R184L69-V180 HydrophobicContact CD1-CG2 4.38Å; I176-V180 HydrophobicContact CG2-CG2 4.37Å; I176-V180 WeakPolarHBondContact O-CB 3.48Å; I176-V180 VanDerWaalsContact O-CG2 3.23Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 2.89Å; A178-V180 VanDerWaalsContact C-N 3.28Å; A178-V180 PolarHBondContact O-N 3.12Å; V180-R184 WeakPolarHBondContact O-CD 3.41Å; V180-R184 VanDerWaalsContact O-CG 3.24Å; V180-R184 WeakPolarHBondContact O-CG 3.09Å; V180-R184 PolarHBondContact O-N 2.8Å
181K91.6Very high89.4Confident122 Ų12287.1 Ų87.153%0.5342%0.417SS..Hα-helixtrans-68.7-47.5171.1-179.4-178.6179-83.70110.4R177 A178 F183 R184 E185R177-K181 WeakPolarHBondContact O-CB 3.33Å; R177-K181 PolarHBondContact O-N 3.26Å; A178-K181 CarbonylContact O-C 3.56Å; A178-K181 WeakPolarHBondContact O-CA 3.31Å; A178-K181 VanDerWaalsContact O-CB 3.27Å; A178-K181 WeakPolarHBondContact O-CB 3.32Å; A178-K181 PolarHBondContact O-N 3.24Å; K181-F183 PolarHBondContact O-N 3.5Å; K181-R184 WeakPolarHBondContact O-CB 3.27Å; K181-R184 PolarHBondContact O-N 3.44Å; K181-R184 VanDerWaalsContact O-N 3.09Å; K181-E185 WeakPolarHBondContact CE-OE1 3.36Å; K181-E185 IonicContact NZ-OE1 2.75Å; K181-E185 PolarHBondContact NZ-OE1 2.88Å; K181-E185 PolarHBondContact O-N 3.27Å
182D90.9Very high88.2Confident90 Ų9087.1 Ų87.148%0.48142%0.417SS..Hα-helixtrans-60.6-44.3-178.7-56.7-33000111.3A178 R184 E185 E186A178-D182 VanDerWaalsContact C-OD2 3.31Å; A178-D182 PolarHBondContact O-N 3.41Å; A178-D182 VanDerWaalsContact O-OD2 3.09Å; D182-R184 PolarHBondContact O-N 3.49Å; D182-E185 CarbonylContact O-C 3.59Å; D182-E185 PolarHBondContact O-N 3.24Å; D182-E186 WeakPolarHBondContact O-CB 3.11Å; D182-E186 PolarHBondContact O-N 3.44Å
183F89.6Confident86.6Confident84 Ų8490.5 Ų90.537%0.36843%0.434SS..Hα-helixtrans-63.7-35.4174.4-177.1-112.2000113.5V66 A179 K181 R187V66-F183 HydrophobicContact CG1-CE2 4.41Å; V66-F183 HydrophobicContact CG1-CZ 4.45Å; A179-F183 VanDerWaalsContact O-CB 3.31Å; A179-F183 WeakPolarHBondContact O-CB 3.42Å; A179-F183 PolarHBondContact O-N 3.01Å; K181-F183 PolarHBondContact O-N 3.5Å; F183-R187 PolarHBondContact O-N 3.23Å; F183-R187 VanDerWaalsContact O-N 3.08Å
184R89Confident84.6Confident179 Ų17998.3 Ų98.368%0.67547%0.471SS*.Hα-helixtrans-70-39.2173.3-75.7172.1175.2-147.4-1111.5V180 K181 D182 T188V180-R184 WeakPolarHBondContact O-CD 3.41Å; V180-R184 VanDerWaalsContact O-CG 3.24Å; V180-R184 WeakPolarHBondContact O-CG 3.09Å; V180-R184 PolarHBondContact O-N 2.8Å; K181-R184 WeakPolarHBondContact O-CB 3.27Å; K181-R184 PolarHBondContact O-N 3.44Å; K181-R184 VanDerWaalsContact O-N 3.09Å; D182-R184 PolarHBondContact O-N 3.49Å; R184-T188 WeakPolarHBondContact O-CB 3.36Å; R184-T188 WeakPolarHBondContact O-CG2 3.31Å; R184-T188 PolarHBondContact O-N 2.91Å; R184-T188 PolarHBondContact O-OG1 2.75Å
185E90.9Very high82.5Confident58 Ų58100.3 Ų100.327%0.27148%0.48SS..Hα-helixtrans-66.1-44.1174.2-78.8-166.8-142.700112K181 D182 T188 K189K181-E185 WeakPolarHBondContact CE-OE1 3.36Å; K181-E185 IonicContact NZ-OE1 2.75Å; K181-E185 PolarHBondContact NZ-OE1 2.88Å; K181-E185 PolarHBondContact O-N 3.27Å; D182-E185 CarbonylContact O-C 3.59Å; D182-E185 PolarHBondContact O-N 3.24Å; E185-T188 WeakPolarHBondContact CA-OG1 3.28Å; E185-T188 PolarHBondContact O-N 3.46Å; E185-T188 PolarHBondContact O-OG1 2.8Å; E185-T188 VanDerWaalsContact O-OG1 3.1Å; E185-K189 HydrophobicContact CB-CD 4.46Å; E185-K189 VanDerWaalsContact O-CB 3.27Å; E185-K189 WeakPolarHBondContact O-CB 3.25Å; E185-K189 WeakPolarHBondContact O-CD 3.32Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 3.07Å; E185-K189 WeakPolarHBondContact OE2-CE 3.11Å; E185-K189 IonicContact OE2-NZ 2.96Å; E185-K189 PolarHBondContact OE2-NZ 3.28Å
186E89.7Confident80Confident109 Ų109104.2 Ų104.251%0.50949%0.489SS..Hα-helixtrans-57.3-50.9174.1-175.8177.5-148.300111D182 T188 K189 A190D182-E186 WeakPolarHBondContact O-CB 3.11Å; D182-E186 PolarHBondContact O-N 3.44Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 2.93Å; E186-K189 PolarHBondContact O-N 3.18Å; E186-A190 VanDerWaalsContact O-CB 3.27Å; E186-A190 WeakPolarHBondContact O-CB 3.47Å; E186-A190 PolarHBondContact O-N 3.4Å
187R86.6Confident77.9Confident171 Ų171109.5 Ų109.565%0.64552%0.524SS*.Hα-helixtrans-61.4-35.9177.7-110.3-174.8162.3119.9-1.9113.7F183 R191F183-R187 PolarHBondContact O-N 3.23Å; F183-R187 VanDerWaalsContact O-N 3.08Å; R187-R191 WeakPolarHBondContact O-CB 3.44Å; R187-R191 PolarHBondContact O-N 2.55Å; R187-R191 VanDerWaalsContact O-N 3.12Å
188T86.3Confident75.6Confident78 Ų78116.1 Ų116.148%0.47956%0.555SS.*Hα-helixtrans-80.2-32.2179.3490000112.9R184 E185 E186 K192R184-T188 WeakPolarHBondContact O-CB 3.36Å; R184-T188 WeakPolarHBondContact O-CG2 3.31Å; R184-T188 PolarHBondContact O-N 2.91Å; R184-T188 PolarHBondContact O-OG1 2.75Å; E185-T188 WeakPolarHBondContact CA-OG1 3.28Å; E185-T188 PolarHBondContact O-N 3.46Å; E185-T188 PolarHBondContact O-OG1 2.8Å; E185-T188 VanDerWaalsContact O-OG1 3.1Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 2.93Å; T188-K192 WeakPolarHBondContact O-CG 3.3Å; T188-K192 PolarHBondContact O-N 3.32Å; T188-K192 VanDerWaalsContact O-N 3.15Å
189K84Confident73Confident117 Ų117117.6 Ų117.651%0.50957%0.574SS.*Hα-helixtrans-67.2-45.6170.9-70.5163-168.91710110.7E185 E186 R191 K192 Q193E185-K189 HydrophobicContact CB-CD 4.46Å; E185-K189 VanDerWaalsContact O-CB 3.27Å; E185-K189 WeakPolarHBondContact O-CB 3.25Å; E185-K189 WeakPolarHBondContact O-CD 3.32Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 3.07Å; E185-K189 WeakPolarHBondContact OE2-CE 3.11Å; E185-K189 IonicContact OE2-NZ 2.96Å; E185-K189 PolarHBondContact OE2-NZ 3.28Å; E186-K189 PolarHBondContact O-N 3.18Å; K189-R191 PolarHBondContact O-N 3.18Å; K189-K192 PolarHBondContact O-N 3.07Å; K189-Q193 PolarHBondContact O-N 3.23Å; K189-Q193 VanDerWaalsContact O-N 3.1Å
190A76.4Confident70.9Confident58 Ų58125.2 Ų125.248%0.47960%0.604SS.*Hα-helixtrans-59.2-46.1175.500000112.2E186 K192 Q193 Q194E186-A190 VanDerWaalsContact O-CB 3.27Å; E186-A190 WeakPolarHBondContact O-CB 3.47Å; E186-A190 PolarHBondContact O-N 3.4Å; A190-K192 PolarHBondContact O-N 3.14Å; A190-Q193 PolarHBondContact O-N 2.68Å; A190-Q194 PolarHBondContact O-N 3.38Å
191R72Confident68.5Low163 Ų163134.9 Ų134.962%0.61564%0.636SS**Hα-helixtrans-57.6-46.1174.3179.6178.5166.8179.3-4.1112.1R187 K189 Q193 Q194 E195R187-R191 WeakPolarHBondContact O-CB 3.44Å; R187-R191 PolarHBondContact O-N 2.55Å; R187-R191 VanDerWaalsContact O-N 3.12Å; K189-R191 PolarHBondContact O-N 3.18Å; R191-Q193 VanDerWaalsContact C-N 3.31Å; R191-Q193 PolarHBondContact O-N 2.87Å; R191-Q194 WeakPolarHBondContact O-CB 3.3Å; R191-Q194 PolarHBondContact O-N 2.75Å; R191-Q194 VanDerWaalsContact O-N 3.07Å; R191-E195 IonicContact CZ-OE1 2.63Å; R191-E195 VanDerWaalsContact CZ-OE1 3.29Å; R191-E195 IonicContact NE-OE1 2.63Å; R191-E195 PolarHBondContact NE-OE1 3Å; R191-E195 IonicContact NH2-OE1 3.74Å; R191-E195 PolarHBondContact NH2-OE1 3.05Å; R191-E195 PolarHBondContact O-N 2.75Å
192K69.6Low66Low151 Ų151137.2 Ų137.266%0.65765%0.649SS**Hα-helixtrans-63.3-33.5-179.5-75.1176.6178.1-173.80113.1T188 K189 A190 Q194 E195T188-K192 WeakPolarHBondContact O-CG 3.3Å; T188-K192 PolarHBondContact O-N 3.32Å; T188-K192 VanDerWaalsContact O-N 3.15Å; K189-K192 PolarHBondContact O-N 3.07Å; A190-K192 PolarHBondContact O-N 3.14Å; K192-Q194 VanDerWaalsContact C-N 3.29Å; K192-Q194 PolarHBondContact O-N 3.19Å; K192-E195 PolarHBondContact O-N 3.34Å
193Q58.1Low63.9Low158 Ų158138.1 Ų138.174%0.73866%0.659SS**Hα-helixtrans-74-18.2174.7-70.8-171.7-9.500113.7K189 A190 R191 E195K189-Q193 PolarHBondContact O-N 3.23Å; K189-Q193 VanDerWaalsContact O-N 3.1Å; A190-Q193 PolarHBondContact O-N 2.68Å; R191-Q193 VanDerWaalsContact C-N 3.31Å; R191-Q193 PolarHBondContact O-N 2.87Å; Q193-E195 VanDerWaalsContact C-N 3.34Å
194Q54.4Low61.5Low170 Ų170143.5 Ų143.579%0.79469%0.686SS**Hα-helixtrans-80.5-14.8171.6-161.7172.22.200112.7A190 R191 K192 H196A190-Q194 PolarHBondContact O-N 3.38Å; R191-Q194 WeakPolarHBondContact O-CB 3.3Å; R191-Q194 PolarHBondContact O-N 2.75Å; R191-Q194 VanDerWaalsContact O-N 3.07Å; K192-Q194 VanDerWaalsContact C-N 3.29Å; K192-Q194 PolarHBondContact O-N 3.19Å; Q194-H196 PolarHBondContact O-N 2.99Å
195E49.9Very low59Low114 Ų114144 Ų14453%0.53370%0.696SS.*  trans-9747.9-177.4-68.8175.9-176.600112.5R191 K192 Q193R191-E195 IonicContact CZ-OE1 2.63Å; R191-E195 VanDerWaalsContact CZ-OE1 3.29Å; R191-E195 IonicContact NE-OE1 2.63Å; R191-E195 PolarHBondContact NE-OE1 3Å; R191-E195 IonicContact NH2-OE1 3.74Å; R191-E195 PolarHBondContact NH2-OE1 3.05Å; R191-E195 PolarHBondContact O-N 2.75Å; K192-E195 PolarHBondContact O-N 3.34Å; Q193-E195 VanDerWaalsContact C-N 3.34Å
196H41.1Very low56.6Low161 Ų161145 Ų14575%0.74571%0.714SS**  trans-94.6138.5163.8-84.6-64.6000111.4Q194Q194-H196 PolarHBondContact O-N 2.99Å
197P48.6Very low54Low120 Ų120146.5 Ų146.578%0.77973%0.731SS**  trans-86.3136.2-151.831.9-36.8000115.1
198K42.9Very low51.8Low212 Ų212145.8 Ų145.892%0.92274%0.735SS**  trans-145.7119.7159.1-119176.6-176.7175.80111.1
199G38.4Very low49.1Very low76 Ų76149.3 Ų149.378%0.78475%0.75SS**  trans94.195.5170.600000115
200Q48.8Very low46.8Very low193 Ų193148.7 Ų148.790%0.90276%0.761SS**  trans-63.7132.7150.1-67.9170-41.300108.5
201R39.3Very low45.5Very low248 Ų248151.3 Ų151.394%0.93677%0.773SS**  trans-137133146.6-74.1-162.5173.5-170-2.2108.6
202Q40.4Very low43.5Very low171 Ų171150.6 Ų150.680%0.79978%0.781SS**PPolyproline II helixtrans-75.7160.5177.7-70.9-71.28.300110.6
203P46Very low41.8Very low109 Ų109148.1 Ų148.171%0.70878%0.778SS**PPolyproline II helixtrans-78.9130.5175.131.9-32.6000111.3
204E38.4Very low40.6Very low198 Ų198151.8 Ų151.893%0.92579%0.786SS**PPolyproline II helixtrans-103.6149.4163.8-74.2-173.1128.900110.4
205Q37.7Very low39.9Very low189 Ų189152 Ų15288%0.88379%0.786SS**  trans-107.9138.2-172.1-63.7-176.10.200112.7
206A39.6Very low39.1Very low80 Ų80151.8 Ų151.866%0.66179%0.789SS**  trans43.8117.3145.200000121.9
207T35.4Very low39Very low139 Ų139154 Ų15485%0.85379%0.791SS**  trans-159.4108.5135.9-70.50000105.5
208Q39.8Very low38.4Very low157 Ų157156.3 Ų156.373%0.73479%0.789SS**  82.1127.554.8-71.5-149.249.900115.2
209L31Very low38Very low151 Ų151151.8 Ų151.879%0.79178%0.775SS**  trans72.8126.1168.4-54.5164.5000116
210S34.5Very low37.8Very low105 Ų105156.3 Ų156.373%0.73478%0.775SS**  cis87.2155.536.4-63.40000114
211P50Low37.1Very low113 Ų113153.1 Ų153.173%0.73477%0.765SS**  cis-135-173.5-35.739.6-23.5000112.6
212D29.4Very low36.9Very low147 Ų147148.4 Ų148.479%0.78675%0.751SS**  trans-143158.2147.8-167.418.7000110.7
213T33.4Very low36.6Very low99 Ų99145.7 Ų145.761%0.60774%0.742SS**  trans-151.9130.9-154.717.50000114.7
214R34.3Very low36.1Very low235 Ų235150.5 Ų150.589%0.88775%0.752SS**  trans-142.9104.7151.6-58.2-174.3-173.5-1700.5106.2
215Q39.4Very low35.9Very low174 Ų174148.4 Ų148.481%0.81375%0.747SS**  59.6131.874.5-64.8-173.8-9.900111.9
216D32.8Very low35.5Very low110 Ų110146.8 Ų146.859%0.58874%0.744SS**  cis-156143.66.5-164.220.9000105.6
217R38.2Very low35.7Very low207 Ų207147.9 Ų147.978%0.78175%0.745SS**  -158.1169.351.3-80.7-178178.7116.132.1110
218K37.7Very low35.6Very low170 Ų170148.9 Ų148.974%0.73974%0.744SS**  cis76.7122.734-151.2-173-178179.10113.6
219N32.6Very low35.1Very low116 Ų116149 Ų14962%0.6275%0.75SS**  cis-141.5-174.8-6.4-113.714.3000106.9
220E35.2Very low35.4Very low171 Ų171149.4 Ų149.480%0.79975%0.747SS**  cis-149.6177.818.2-153123.4-108.600111.1
221D34.7Very low35.2Very low127 Ų127153.1 Ų153.168%0.67975%0.753SS**  trans-102.9144.4-170.7179.634.9000112.2
222K34.4Very low34.5Very low149 Ų149153.8 Ų153.865%0.64876%0.755SS**  165.7144.2117.3-89.5-172.8149.5-76.50119.3
223D33.3Very low34.6Very low113 Ų113155.1 Ų155.160%0.60476%0.756SS**  trans56.7104.2143-52.6-15.4000120.5
224K37Very low34.7Very low211 Ų211157.5 Ų157.592%0.91777%0.765SS**  trans-144.3144.3140.7-76.9-153.2175.6-172.60111.7
225D33.1Very low34.8Very low154 Ų154154.2 Ų154.282%0.82476%0.764SS**  trans-94.9167.1-160.3-53.9-90.6000117.4
226N30.6Very low34.8Very low154 Ų154154.4 Ų154.482%0.82476%0.762SS**  trans93.3134.3142-148.255.7000118.6
227P42.9Very low35Very low104 Ų104157.6 Ų157.668%0.67577%0.773SS**  trans-106.6-176.3-16542.7-37.3000115.8
228L33.9Very low34.6Very low159 Ų159151 Ų15183%0.83277%0.769SS**  trans-51.6158170.6-73.868.5000114.1
229N28.8Very low34.2Very low161 Ų161148 Ų14886%0.86178%0.776SS**  -150.9153.5115.3-145.6-15.4000113.4
230Q36.6Very low34Very low159 Ų159150 Ų15074%0.74379%0.787SS**  trans-157.9104179.2-177.9-174.117.200112.6
231Q31.8Very low33.9Very low182 Ų182147.1 Ų147.185%0.8578%0.781SS**  trans177.7144.6160.3-98.2140.375.900106.3
232V33.5Very low34Very low127 Ų127147.5 Ų147.577%0.7778%0.782SS**  cis79.390.316.8-167.30000115.5
233E32.8Very low33.8Very low176 Ų176149.6 Ų149.682%0.82279%0.792SS**  trans-162.9125.8140.6-74.5-146.4157.300105
234D35.1Very low33.4Very low149 Ų149147.8 Ų147.880%0.79780%0.799SS**  77.711576.3-81.2-53.6000115.9
235I36Very low33.2Very low166 Ų166142.3 Ų142.385%0.85179%0.793SS**  trans-146.1134.5167-58.7-177.8000109.8
236K40.4Very low33.1Very low178 Ų178144.5 Ų144.577%0.77480%0.795SS**  trans-132.1141.6162.2-87.7-170.1170.2-163.30109.2
237E36.9Very low33Very low176 Ų176147 Ų14782%0.82280%0.799SS**  trans56.9153.8160.3-64.4165.6103.900116.3
238G28.7Very low32.2Very low68 Ų68147.1 Ų147.170%0.70180%0.803SS**  cis174.5141.9-9.100000109.1
239A29.3Very low31.9Very low107 Ų107146 Ų14688%0.88480%0.802SS**  trans48.3125.7170.300000120.2
240D30.1Very low31.9Very low159 Ų159144.3 Ų144.385%0.8580%0.797SS**  -162.3176.6104.6-155.63000111.1
241V32.4Very low31.5Very low111 Ų111145.9 Ų145.967%0.67380%0.804SS**  trans-108.2150.7-164.2-178.50000111.4
242L35.6Very low31.3Very low135 Ų135142.3 Ų142.371%0.70780%0.8SS**  161.4132.6127.8-82.7165.4000115.4
243K30.2Very low31.7Very low193 Ų193142 Ų14284%0.83980%0.8SS**  trans8.7140139.4-50.7167.1-166.2165.50117.9
244G26.7Very low31.3Very low74 Ų74137.6 Ų137.676%0.76379%0.794SS**  cis125.5160.62.100000114.8
245A31Very low31Very low96 Ų96140.6 Ų140.679%0.79380%0.796SS**  trans85.6156.1163.900000121.7
246K31.2Very low30.9Very low200 Ų200140.6 Ų140.687%0.8779%0.792SS**  trans77.3117.3173.3-53.3172.2-172.1175.10114.5
247K28.9Very low30.3Very low206 Ų206140.2 Ų140.290%0.89679%0.793SS**  cis68.99832.5-66.2-169.5173.8-178.10116.6
248S27Very low30.4Very low108 Ų108139.4 Ų139.476%0.75579%0.787SS**  trans173.8114.3137.951.70000109.3
249V26.6Very low31.3Very low135 Ų135140.1 Ų140.182%0.81878%0.779SS**  71.2100.482.2175.80000114.3
250V28.4Very low31.4Very low126 Ų126142.4 Ų142.476%0.76477%0.771SS**  trans35.7115139.4-164.30000119.4
251Q28.9Very low31.6Very low191 Ų191139.9 Ų139.989%0.89377%0.766SS**  -174.4146.7113.8-99.7-179.72200112.8
252S27.8Very low31.4Very low107 Ų107140.5 Ų140.575%0.74877%0.77SS**  trans-123.4154164.360.20000107.8
253P41.1Very low31.2Very low121 Ų121139 Ų13979%0.78677%0.771SS**  -158.5174.291.241.7-22.5000118.2
254A24.5Very low31.1Very low84 Ų84134.1 Ų134.169%0.69477%0.767SS**  trans70121.8143.700000123.1
255Y28.5Very low31.3Very low212 Ų212140.3 Ų140.383%0.83177%0.773SS**  -162123.9128-84.4-65.2000106.6
256Q35.2Very low31.3Very low166 Ų166139.7 Ų139.778%0.77677%0.768SS**  60.2131.299.4-78.8-178-28.600114.9
257E28.2Very low31.1Very low169 Ų169136.2 Ų136.279%0.7976%0.764SS**  cis-143.1149.75.6-93.8-177.5130.500110.3
258K38.2Very low31.2Very low159 Ų159132.7 Ų132.769%0.69176%0.759SS**  64145.681.1-112.5-130.3161.7-146.60115.2E260K258-E260 IonicContact NZ-OE1 2.8Å; K258-E260 PolarHBondContact NZ-OE1 3.46Å
259P48.4Very low31.3Very low84 Ų84133.2 Ų133.255%0.54576%0.757SS.*  cis-147.9-176.6-26.543.9-26.5000118.5
260E29.8Very low31.5Very low154 Ų154135.6 Ų135.672%0.7276%0.757SS**  trans67.8138.9143.1-79.2138.1-126.500120.6K258K258-E260 IonicContact NZ-OE1 2.8Å; K258-E260 PolarHBondContact NZ-OE1 3.46Å
261S34.8Very low31.5Very low106 Ų106134 Ų13474%0.74175%0.751SS**  cis-155175.3-3.864.60000108.6
262T28.9Very low31.3Very low124 Ų124129.8 Ų129.876%0.76174%0.743SS**  cis-114.517712.147.70000111.5
263S30Very low31.3Very low104 Ų104131.5 Ų131.573%0.72775%0.749SS**  cis7588.537-134.70000114
264A29.7Very low30.8Very low90 Ų90135.1 Ų135.174%0.74475%0.752SS**  74.5154.177.100000112.8
265K31.1Very low32.2Very low205 Ų205136.5 Ų136.589%0.89175%0.754SS**  cis-153.7176.29.2-138.2166.7-179.4177.60105.4
266A30.1Very low32.1Very low83 Ų83135.7 Ų135.769%0.68676%0.755SS**  cis-164172.628.700000114.5
267T27.8Very low32.5Very low127 Ų127131.9 Ų131.978%0.77975%0.745SS**  trans-35.3147.5165.451.80000118.6
268V30.3Very low32.6Very low131 Ų131132 Ų13279%0.79475%0.745SS**  -171.5123.8113.5143.90000113.9
269V29.6Very low32.4Very low120 Ų120130.5 Ų130.573%0.72774%0.744SS**  trans15.3137.9145.7-149.50000122.9
270K31.1Very low31.6Very low184 Ų184136.1 Ų136.180%0.876%0.759SS**  trans91109.2142.9-105.9170.1-175.2177.90122.9
271S27.4Very low31.6Very low92 Ų92136.8 Ų136.864%0.64376%0.762SS**  61.5121.5124.266.30000123.7
272S25.5Very low31.4Very low103 Ų103140.1 Ų140.172%0.7277%0.766SS**  81.1127.7129.9-60.10000122.7
273T27.6Very low31.7Very low144 Ų144141.1 Ų141.188%0.88376%0.762SS**  trans75.6149.8140.9470000122.5
274K30.2Very low31.9Very low197 Ų197143.5 Ų143.586%0.85776%0.759SS**  trans-68.8178.7171.1-54.3171.6-179.7176.50111.5
275P52.9Low32Very low112 Ų112145.9 Ų145.973%0.72776%0.76SS**  cis-136-156.8-49.839.6-21.6000111.9
276K27.9Very low32.2Very low195 Ų195141.3 Ų141.385%0.84875%0.753SS**  trans72.8170161.5-99.1-166.3166.5-178.50116.4
277P44Very low32.1Very low87 Ų87147.8 Ų147.857%0.56576%0.76SS**  cis-141-164.6-30.140.8-22.7000114.7
278Q28.8Very low32.3Very low170 Ų170148.5 Ų148.579%0.79476%0.758SS**  trans73.6153.5150.7-73.8175.9-16.500118.5
279I34.9Very low32.4Very low129 Ų129151 Ų15166%0.66276%0.761SS**  cis-149.5144.1-0.3-116.5151.6000110.2
280K30.7Very low33.2Very low201 Ų201150.3 Ų150.387%0.87476%0.759SS**  trans-174.7156.4131-102.6178.4-178.3-173.70110.7
281H30Very low33.2Very low169 Ų169147.6 Ų147.678%0.78276%0.758SS**  trans-141.6146.7-165.8-104.5-105.3000110.7
282E31.4Very low34Very low176 Ų176148.4 Ų148.482%0.82276%0.761SS**  trans172115.7141.8-93.6150.9-159.700107
283E33.8Very low34Very low145 Ų145150.2 Ų150.268%0.67876%0.762SS**  65.1132.793.9-65.2-148.213500114.5
284K36.2Very low34.4Very low153 Ų153150.6 Ų150.667%0.66576%0.758SS**  cis-159.8150.57.6-113.5158177.7144.30112.4
285N31.2Very low34.3Very low141 Ų141145.1 Ų145.175%0.75475%0.75SS**  trans47.699.3146.5-63.63.5000124.7
286S34Very low33.3Very low108 Ų108146.7 Ų146.776%0.75575%0.751SS**  65.8129.1111.677.40000125.6
287R28.2Very low33.3Very low220 Ų220146.5 Ų146.583%0.8375%0.75SS**  100.9136.6127.1-138.7-164.6179-154.2-0.7120.9
288L33.3Very low32.6Very low142 Ų142147.4 Ų147.474%0.74376%0.759SS**  trans86.9153.7162.3-55.2-177000119.5
289Q31.6Very low32.6Very low183 Ų183143.4 Ų143.486%0.85576%0.755SS**  trans-117.9-172174.6-48.1-177.3-38.900107.6
290P46.4Very low32.5Very low106 Ų106144.2 Ų144.269%0.68876%0.761SS**  cis-137.2-174.3-543.5-24.9000115.1
291V31.3Very low32.7Very low126 Ų126142.3 Ų142.376%0.76476%0.755SS**  trans17.3136.3133.4175.20000117.9
292P43.6Very low33.2Very low110 Ų110142.7 Ų142.771%0.71476%0.757SS**  cis-143.4-172.229.435.7-12.6000118.1
293D26.7Very low33.4Very low140 Ų140142.5 Ų142.575%0.74976%0.756SS**  trans83.6160.7137.2-126-28.2000122.9
294L35.1Very low33.4Very low153 Ų153139.6 Ų139.680%0.80175%0.752SS**  trans62.6108.1175.2-50.4-177.5000115.3
295A29.4Very low34.2Very low82 Ų82139 Ų13968%0.67876%0.756SS**  cis91.1140.933.500000115.2
296L30.1Very low34.6Very low145 Ų145138.1 Ų138.176%0.75976%0.755SS**  trans75.7126.5179.9-50.6-177.9000113.8
297K28.7Very low34.7Very low190 Ų190142 Ų14283%0.82676%0.762SS**  57.213688.5-57.1-179.9-172179.50112.4
298S28.5Very low35.2Very low107 Ų107137.1 Ų137.175%0.74876%0.761SS**  cis-156.4136.910.5340000108.4
299A30.1Very low35.2Very low86 Ų86135 Ų13571%0.71176%0.759SS**  82.4-179.7102.600000113.5
300D31.8Very low35.4Very low146 Ų146133 Ų13378%0.78175%0.754SS**  trans71.3135.8171-55.7-161.8000118.1
301E35.5Very low35.2Very low161 Ų161134.6 Ų134.675%0.75276%0.756SS**  cis-156.7176.9-27.9-85.3-148.8140.900108
302E40.9Very low35.8Very low177 Ų177134.6 Ų134.683%0.82775%0.748SS**  trans65.8150.1166.7-52.9-173.8175.100117.5
303E36Very low36Very low172 Ų172138.5 Ų138.580%0.80476%0.756SS**  cis-165.7157.7-17.2-106.6-71.484.800106.1
304S33.8Very low37.2Very low83 Ų83139.4 Ų139.458%0.5875%0.754SS**  cis-126.7-134.5-4.159.50000110.4
305D51.8Low38.5Very low142 Ų142142 Ų14276%0.75976%0.762SS**  cis-154.5177.715.5-155.93.1000111.7
306V40.7Very low39.3Very low122 Ų122147 Ų14774%0.73977%0.765SS**  trans-90.7173.6-172.9-58.40000114.1
307E34.3Very low40.1Very low189 Ų189149.8 Ų149.888%0.88377%0.771SS**  cis-150.4-176.117.7-151.6171.1-162.900112.6
308S38.6Very low41.2Very low117 Ų117145 Ų14582%0.81875%0.754SS**  trans-141159.7-162.3-172.60000115.1
309S34Very low42.2Very low99 Ų99145.9 Ų145.969%0.69275%0.751SS**  trans166139162.6166.40000107.9
310D36.3Very low43.2Very low141 Ų141146.8 Ų146.875%0.75475%0.752SS**  cis-139.8152.10-101.5-171.7000106
311D41Very low43.9Very low138 Ų138144.9 Ų144.974%0.73875%0.745SS**  cis68.8143.440.1-129.6-141.7000114.3
312E43.9Very low44.5Very low126 Ų126143.3 Ų143.359%0.58974%0.738SS**  cis-137.1154.3-16.4-159.5-171-177.100108K314E312-K314 IonicContact OE1-NZ 2.75Å; E312-K314 PolarHBondContact OE1-NZ 3.18Å
313E49.5Very low45.1Very low192 Ų192144 Ų14490%0.89774%0.742SS**  -178.3141.4126.1-103179.7-163.300110.4
314K50.7Low46.3Very low159 Ų159143.8 Ų143.869%0.69173%0.733SS**  trans-120.8133.4176-54.3165.9-16960.70108.1E312E312-K314 IonicContact OE1-NZ 2.75Å; E312-K314 PolarHBondContact OE1-NZ 3.18Å
315E62Low47Very low208 Ų208149.2 Ų149.297%0.97275%0.747SS**  trans-144.6152.7144.7-130.5173.2-151.400111.3
316Y47.7Very low46.7Very low188 Ų188150.9 Ų150.974%0.73775%0.75SS**  trans-125.8130-153.6157.8-89.8000110.3
317F45.8Very low46.9Very low202 Ų202153.3 Ų153.389%0.88675%0.75SS**  trans-145.8134.6157.4-131.4-85.4000112
318D53.4Low47.2Very low89 Ų89152.8 Ų152.848%0.47675%0.748SS.*  trans-97.9126.1177.9175.816000109.3S320D318-S320 VanDerWaalsContact OD1-CB 3.28Å; D318-S320 WeakPolarHBondContact OD1-CB 3.33Å; D318-S320 PolarHBondContact OD1-N 3.05Å; D318-S320 PolarHBondContact OD1-OG 3.35Å
319D48.5Very low47.1Very low126 Ų126152 Ų15267%0.67474%0.742SS**  trans-130.364.6164.3-170.2-0.3000109.6T321D319-T321 PolarHBondContact O-N 2.88Å; D319-T321 WeakPolarHBondContact OD1-CB 3.15Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.34Å; D319-T321 PolarHBondContact OD1-OG1 3.22Å
320S50.6Low47.6Very low105 Ų105153 Ų15373%0.73475%0.749SS**  trans-73.664.7167.3-60.70000111.3D318D318-S320 VanDerWaalsContact OD1-CB 3.28Å; D318-S320 WeakPolarHBondContact OD1-CB 3.33Å; D318-S320 PolarHBondContact OD1-N 3.05Å; D318-S320 PolarHBondContact OD1-OG 3.35Å
321T48Very low47.8Very low106 Ų106150.6 Ų150.665%0.6575%0.749SS**  trans-125152174.570.30000115.2D319D319-T321 PolarHBondContact O-N 2.88Å; D319-T321 WeakPolarHBondContact OD1-CB 3.15Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.34Å; D319-T321 PolarHBondContact OD1-OG1 3.22Å
322E46.5Very low47.5Very low129 Ų129149.2 Ų149.260%0.60375%0.75SS**  trans61.946.9172.7-140.867.3162.300117.7R324E322-R324 VanDerWaalsContact CD-CD 3.44Å; E322-R324 HydrophobicContact CG-CB 3.83Å; E322-R324 PolarHBondContact O-N 3.42Å; E322-R324 WeakPolarHBondContact OE1-CD 3.3Å; E322-R324 IonicContact OE1-CZ 3.8Å; E322-R324 IonicContact OE1-NE 3.84Å; E322-R324 IonicContact OE1-NH1 2.92Å; E322-R324 PolarHBondContact OE1-NH1 3.49Å
323E54.8Low47.3Very low192 Ų192152 Ų15290%0.89776%0.763SS**  trans-62.274.1144.9-170.3-160.6157.300109.6
324R59.7Low46.6Very low166 Ų166151.8 Ų151.863%0.62676%0.762SS**  trans-152.260-173.2-160.8-158.4-174.9174.82.6114.1E322E322-R324 VanDerWaalsContact CD-CD 3.44Å; E322-R324 HydrophobicContact CG-CB 3.83Å; E322-R324 PolarHBondContact O-N 3.42Å; E322-R324 WeakPolarHBondContact OE1-CD 3.3Å; E322-R324 IonicContact OE1-CZ 3.8Å; E322-R324 IonicContact OE1-NE 3.84Å; E322-R324 IonicContact OE1-NH1 2.92Å; E322-R324 PolarHBondContact OE1-NH1 3.49Å
325F48.4Very low46Very low197 Ų197149.5 Ų149.586%0.86477%0.766SS**  -174.795.7125.2-106.9-71.8000110.1
326H45.9Very low45.2Very low177 Ų177146.3 Ų146.382%0.81976%0.756SS**  trans-142.2143.8164.8-13267.3000110
327K45.7Very low45.1Very low173 Ų173145 Ų14575%0.75276%0.757SS**  trans75.188.2-174.5-48.5154.4-175.8160.90115.4
328Q40.4Very low45.2Very low179 Ų179142.4 Ų142.484%0.83675%0.752SS**  trans-175.7131137-76.7-38.5-86.700105
329S36.1Very low45.7Very low100 Ų100144.2 Ų144.270%0.69976%0.762SS**  cis-151.4175-7.1-73.60000109.5
330S44.6Very low46.3Very low120 Ų120145.9 Ų145.984%0.83976%0.763SS**  trans-104.2154.9179.6-59.60000113.4
331A40.6Very low46.5Very low91 Ų91149.8 Ų149.875%0.75277%0.767SS**  trans75.3121.5150.800000121.5
332S35.1Very low46.6Very low109 Ų109150.8 Ų150.876%0.76277%0.767SS**  trans91.1151.9135-59.70000123.2
333E39.8Very low46.4Very low184 Ų184148.1 Ų148.186%0.8677%0.774SS**  trans78.493.9158.5-71.9171121.500122.5
334E34.1Very low46.2Very low187 Ų187148.5 Ų148.587%0.87477%0.773SS**  42.199117.4-162.2157.5-158.500123.1
335S39.2Very low45.7Very low111 Ų111147.9 Ų147.978%0.77679%0.787SS**  trans-163.1137.9137.9-84.30000107.6
336D44.8Very low45.6Very low142 Ų142143.8 Ų143.876%0.75978%0.783SS**  49.7127.683.8-97.3177.2000113.7
337E44.3Very low45.5Very low160 Ų160145.2 Ų145.275%0.74879%0.787SS**  cis-139.7145.3-3.5-58.597.3146.100111.2
338D49.5Very low45.4Very low147 Ų147146.7 Ų146.779%0.78679%0.794SS**  trans-170.554.1143.1-128.4-19.7000115.2F340D338-F340 PolarHBondContact O-N 2.91Å
339D62.8Low45.5Very low127 Ų127147.4 Ų147.468%0.67979%0.794SS**  trans-79.841.7-177.6-140.7-5.9000113.4F341 I342D339-F341 PolarHBondContact O-N 3.47Å; D339-I342 VanDerWaalsContact CG-CD1 3.45Å; D339-I342 PolarHBondContact O-N 3.09Å; D339-I342 WeakPolarHBondContact OD1-CD1 3.38Å; D339-I342 WeakPolarHBondContact OD1-CG1 3.33Å; D339-I342 WeakPolarHBondContact OD2-CD1 3.39Å
340F61.4Low45.8Very low162 Ų162151.1 Ų151.171%0.71180%0.798SS**THydrogen-bonded Turntrans-61.7-8.7-163.8-170.6-103.7000115.7D338D338-F340 PolarHBondContact O-N 2.91Å
341F54.6Low45.5Very low186 Ų186155.9 Ų155.982%0.81680%0.803SS**THydrogen-bonded Turntrans-119.617.3-179-81.7-72.4000116.3D339 G343D339-F341 PolarHBondContact O-N 3.47Å; F341-G343 PolarHBondContact O-N 2.94Å
342I50.2Low45.3Very low128 Ų128159.2 Ų159.266%0.65680%0.801SS**  trans-80.256.6166.3-52.1-164.4000111.5D339 K344D339-I342 VanDerWaalsContact CG-CD1 3.45Å; D339-I342 PolarHBondContact O-N 3.09Å; D339-I342 WeakPolarHBondContact OD1-CD1 3.38Å; D339-I342 WeakPolarHBondContact OD1-CG1 3.33Å; D339-I342 WeakPolarHBondContact OD2-CD1 3.39Å; I342-K344 VanDerWaalsContact C-N 3.34Å; I342-K344 PolarHBondContact O-N 2.73Å
343G42Very low45.4Very low72 Ų72163.7 Ų163.774%0.74281%0.806SS**  trans-79.959.1-177.400000115.6F341F341-G343 PolarHBondContact O-N 2.94Å
344K51.1Low45.3Very low201 Ų201161.4 Ų161.487%0.87479%0.793SS**  trans3891.3161.9-64.4175.3-179.4168.60118.2I342I342-K344 VanDerWaalsContact C-N 3.34Å; I342-K344 PolarHBondContact O-N 2.73Å
345V48.8Very low45.2Very low153 Ų153158.9 Ų158.993%0.92778%0.782SS**  trans-127.6145.6137.5-740000109.9
346S46.6Very low44.7Very low111 Ų111159.4 Ų159.478%0.77678%0.78SS**  trans-91.7152.6-153.456.90000115.7F348S346-F348 PolarHBondContact O-N 3.02Å
347K43.8Very low43.8Very low206 Ų206158.2 Ų158.290%0.89678%0.783SS**  trans-68.5112.5175.5-61.3170.3-177.5171.10110.4
348F43.9Very low43Very low204 Ų204154.5 Ų154.590%0.89579%0.788SS**  trans-93.3111.6158.765.8-91000109.9S346S346-F348 PolarHBondContact O-N 3.02Å
349K42.4Very low42.1Very low195 Ų195157.1 Ų157.185%0.84880%0.795SS**  trans-111103.7-174.1-166177.8-177.1-178.40110.9
350K41.4Very low40.5Very low178 Ų178156 Ų15677%0.77480%0.804SS**  trans40.2107.6148.5-176.4180179.6175.60117.3
351K39.6Very low39Very low219 Ų219156.9 Ų156.995%0.95281%0.811SS**  trans-109.5120.2142.5-85.7-167174-1780110.2
352K35.2Very low37.9Very low162 Ų162153.6 Ų153.670%0.70481%0.806SS**  trans-93.5131.3165.4174.6-174177.5-175.70106.6
353K38Very low37.1Very low203 Ų203152.7 Ų152.788%0.88380%0.802SS**  trans-118.6145.8161.6-152.7-177.5-179.2-1670107.7
354K36.8Very low36.9Very low135 Ų135156 Ų15659%0.58780%0.796SS**  trans-146.6139.7-178.8-171-167.8174.2-121.60106.7
355E33.8Very low35.9Very low134 Ų134154.8 Ų154.863%0.62679%0.793SS**  trans63.5160.6174.2-72.2142165.700115
356T27.5Very low35.1Very low122 Ų122151.2 Ų151.275%0.74879%0.788SS**  cis-133.4157.115.751.80000113.8
357S27.2Very low34.5Very low118 Ų118153.7 Ų153.783%0.82579%0.787SS**  trans26.7142.414265.70000122.9
358G27.2Very low33.9Very low82 Ų82147.6 Ų147.685%0.84578%0.782SS**  trans172.185.2156.700000114.2
359E29.1Very low33.7Very low201 Ų201145.8 Ų145.894%0.93977%0.774SS**  trans-84.5136.8166.9-66.1170.2154.900109.9
360A30.7Very low33.4Very low105 Ų105146.5 Ų146.587%0.86878%0.777SS**  trans-157.7130.4161.800000108.8
361E30Very low33.4Very low180 Ų180145.5 Ų145.584%0.84178%0.78SS**  trans-112.6-173.8-178.4-161.3-179.7-13000109.3
362V31.5Very low33.9Very low117 Ų117141 Ų14171%0.70977%0.774SS**  trans73.8129.8161.11680000114.4
363D32.3Very low33.8Very low108 Ų108136.4 Ų136.458%0.57877%0.772SS**  cis-160.3162.19.2-137.6-15.6000112.8
364K38.4Very low34Very low143 Ų143133.5 Ų133.562%0.62277%0.766SS**  trans55.1158.2144.6-78.1169-175.867.30122.3
365E29.6Very low34.5Very low175 Ų175132.4 Ų132.482%0.81877%0.773SS**  cis-170.2156.6-34.5-121168.2-157.100107.1
366G31.5Very low35.1Very low78 Ų78133.8 Ų133.880%0.80478%0.777SS**  trans164.397.717300000115
367E33.9Very low36.2Very low163 Ų163132.6 Ų132.676%0.76277%0.769SS**  trans-76.6146.4175.4-72.8-159.4102.800113.5K369E367-K369 WeakPolarHBondContact OE1-CE 3.26Å; E367-K369 IonicContact OE1-NZ 3.28Å; E367-K369 PolarHBondContact OE1-NZ 2.96Å; E367-K369 IonicContact OE2-NZ 3.07Å
368G32.7Very low37.6Very low77 Ų77132.9 Ų132.979%0.79476%0.761SS**  trans-165.386169.600000111.7
369K40.1Very low39.2Very low166 Ų166136.5 Ų136.572%0.72275%0.754SS**  trans-84130.6-170.7-70.1164.9170.5142.70113.5E367E367-K369 WeakPolarHBondContact OE1-CE 3.26Å; E367-K369 IonicContact OE1-NZ 3.28Å; E367-K369 PolarHBondContact OE1-NZ 2.96Å; E367-K369 IonicContact OE2-NZ 3.07Å
370K34.8Very low40.6Very low210 Ų210132.6 Ų132.691%0.91374%0.739SS**  trans-176.5135.2138.6-101.6160.5-171.8-178.60112.1
371D42.7Very low42.3Very low157 Ų157134.1 Ų134.184%0.8473%0.728SS**  trans-100173.6175.3-95.5-56.8000111.6
372P48.3Very low44.3Very low126 Ų126128.8 Ų128.882%0.81871%0.711SS**  cis-127.5168.9-11.131.5-13.2000114.5
373G33.5Very low46.3Very low65 Ų65128.3 Ų128.367%0.6770%0.701SS**  trans173128.4165.400000113.5P375G373-P375 WeakPolarHBondContact O-CD 3.39Å
374D42.6Very low48.1Very low141 Ų141128.6 Ų128.675%0.75470%0.702SS**  trans-66.6124.7-166.5-74.5-89.8000116.7
375P46.7Very low49.8Very low113 Ų113126.9 Ų126.973%0.73470%0.699SS**  trans-115.781.3171.636.4-22000111.7G373G373-P375 WeakPolarHBondContact O-CD 3.39Å
376K47.1Very low52.4Low163 Ų163123.6 Ų123.671%0.70968%0.684SS**  trans-124.4-12.1176.6-74.3177.3-177160.50115.6
377T50Low53.9Low97 Ų97124.2 Ų124.260%0.59567%0.668SS**SBendtrans-79.6-50.8-17644.10000113.7K379 L380 Q381T377-K379 PolarHBondContact O-N 2.86Å; T377-L380 PolarHBondContact O-N 3.19Å; T377-Q381 PolarHBondContact O-N 3.38Å; T377-Q381 VanDerWaalsContact O-N 3.09Å
378D56Low55.6Low123 Ų123120.4 Ų120.466%0.65865%0.65SS**Hα-helixtrans-55.6-31.8-171.1-73-28.8000114.6L380 Q381 S382D378-L380 VanDerWaalsContact C-N 3.31Å; D378-L380 PolarHBondContact O-N 3.04Å; D378-Q381 PolarHBondContact O-N 3.38Å; D378-S382 WeakPolarHBondContact O-CB 3.35Å; D378-S382 PolarHBondContact O-N 3.28Å; D378-S382 PolarHBondContact O-OG 3.41Å
379K62.1Low57.1Low158 Ų158119.8 Ų119.869%0.68763%0.634SS**Hα-helixtrans-75.2-20.9-177.1-158.3168.8-1731740113.3T377 Q383T377-K379 PolarHBondContact O-N 2.86Å; K379-Q383 WeakPolarHBondContact O-CG 3.27Å
380L58.8Low58.3Low119 Ų119119 Ų11962%0.62363%0.627SS**Hα-helixtrans-89-41.6168.9-65176.6000110.4T377 D378 S382 Q383 L384T377-L380 PolarHBondContact O-N 3.19Å; D378-L380 VanDerWaalsContact C-N 3.31Å; D378-L380 PolarHBondContact O-N 3.04Å; L380-S382 VanDerWaalsContact C-N 3.34Å; L380-S382 PolarHBondContact O-N 2.92Å; L380-Q383 PolarHBondContact O-N 3.01Å; L380-Q383 VanDerWaalsContact O-N 3.16Å; L380-L384 PolarHBondContact O-N 3.24Å
381Q66.8Low59.4Low138 Ų138116.3 Ų116.365%0.64562%0.622SS**Hα-helixtrans-53.1-48.9176.1-15379.15.200112T377 D378 L384 D385T377-Q381 PolarHBondContact O-N 3.38Å; T377-Q381 VanDerWaalsContact O-N 3.09Å; D378-Q381 PolarHBondContact O-N 3.38Å; Q381-L384 PolarHBondContact O-N 3.05Å; Q381-D385 PolarHBondContact O-N 3.42Å
382S70.3Confident60.1Low68 Ų68115.3 Ų115.348%0.47661%0.61SS.*Hα-helixtrans-66.9-34.3178.650.60000113.7D378 L380 E386D378-S382 WeakPolarHBondContact O-CB 3.35Å; D378-S382 PolarHBondContact O-N 3.28Å; D378-S382 PolarHBondContact O-OG 3.41Å; L380-S382 VanDerWaalsContact C-N 3.34Å; L380-S382 PolarHBondContact O-N 2.92Å; S382-E386 WeakPolarHBondContact O-CB 3.43Å; S382-E386 PolarHBondContact O-N 2.84Å
383Q73.6Confident60.1Low106 Ų106112.7 Ų112.750%0.49559%0.594SS.*Hα-helixtrans-70.9-33.1174.1-73.2-176.7200112.3K379 L380 L387K379-Q383 WeakPolarHBondContact O-CG 3.27Å; L380-Q383 PolarHBondContact O-N 3.01Å; L380-Q383 VanDerWaalsContact O-N 3.16Å; Q383-L387 WeakPolarHBondContact O-CB 3.15Å; Q383-L387 VanDerWaalsContact O-CG 3.24Å; Q383-L387 WeakPolarHBondContact O-CG 3.37Å; Q383-L387 PolarHBondContact O-N 3.31Å
384L70.7Confident61.1Low114 Ų114118 Ų11860%0.59760%0.599SS**Hα-helixtrans-69.5-42.3176.3-131.6153.5000111.1L380 Q381 L387 E388L380-L384 PolarHBondContact O-N 3.24Å; Q381-L384 PolarHBondContact O-N 3.05Å; L384-L387 PolarHBondContact O-N 3.26Å; L384-E388 PolarHBondContact O-N 3.02Å
385D75Confident61.2Low108 Ų108117.2 Ų117.258%0.57860%0.602SS**Hα-helixtrans-67.8-37.2174-170.460.3000112.9Q381 L387 E388 S389Q381-D385 PolarHBondContact O-N 3.42Å; D385-L387 VanDerWaalsContact C-N 3.33Å; D385-L387 PolarHBondContact O-N 3.12Å; D385-E388 PolarHBondContact O-N 3.47Å; D385-S389 VanDerWaalsContact O-CB 3.28Å; D385-S389 WeakPolarHBondContact O-CB 3.25Å; D385-S389 PolarHBondContact O-N 2.91Å; D385-S389 PolarHBondContact O-OG 3.02Å
386E83.1Confident61.3Low106 Ų106119.4 Ų119.450%0.49561%0.606SS.*Hα-helixtrans-63.5-38.6172-160.4-154.6118.800111.6S382 S389 R390S382-E386 WeakPolarHBondContact O-CB 3.43Å; S382-E386 PolarHBondContact O-N 2.84Å; E386-S389 WeakPolarHBondContact CA-OG 3.47Å; E386-S389 PolarHBondContact O-OG 3.45Å; E386-S389 VanDerWaalsContact O-OG 3.1Å; E386-R390 WeakPolarHBondContact O-CB 3.45Å; E386-R390 VanDerWaalsContact O-CD 3.24Å; E386-R390 WeakPolarHBondContact O-CD 3.42Å; E386-R390 WeakPolarHBondContact O-CG 3.39Å; E386-R390 PolarHBondContact O-N 3.13Å; E386-R390 VanDerWaalsContact O-N 3.11Å; E386-R390 IonicContact OE1-CZ 3.72Å; E386-R390 IonicContact OE1-NH1 3.78Å; E386-R390 PolarHBondContact OE1-NH1 3.03Å
387L64.1Low61.4Low90 Ų90117.8 Ų117.847%0.47161%0.61SS.*Hα-helixtrans-72-41.9176.9-72.5172.3000112.3Q383 L384 D385 R390 L391Q383-L387 WeakPolarHBondContact O-CB 3.15Å; Q383-L387 VanDerWaalsContact O-CG 3.24Å; Q383-L387 WeakPolarHBondContact O-CG 3.37Å; Q383-L387 PolarHBondContact O-N 3.31Å; L384-L387 PolarHBondContact O-N 3.26Å; D385-L387 VanDerWaalsContact C-N 3.33Å; D385-L387 PolarHBondContact O-N 3.12Å; L387-R390 PolarHBondContact O-N 3.29Å; L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CG 3.23Å; L387-L391 PolarHBondContact O-N 2.67Å
388E67.8Low61.3Low83 Ų83119.6 Ų119.639%0.38862%0.621SS.*Hα-helixtrans-61.7-48.9173.6-82.8-138.7109.600112L384 D385 R390 L391 K392L384-E388 PolarHBondContact O-N 3.02Å; D385-E388 PolarHBondContact O-N 3.47Å; E388-R390 VanDerWaalsContact C-N 3.28Å; E388-R390 PolarHBondContact O-N 3.32Å; E388-L391 PolarHBondContact O-N 2.86Å; E388-L391 VanDerWaalsContact O-N 3.1Å; E388-K392 HydrophobicContact CB-CD 4.37Å; E388-K392 VanDerWaalsContact CD-CE 3.48Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 VanDerWaalsContact O-CG 3.25Å; E388-K392 WeakPolarHBondContact O-CG 3.31Å; E388-K392 PolarHBondContact O-N 3.3Å; E388-K392 WeakPolarHBondContact OE1-CE 3.48Å; E388-K392 IonicContact OE1-NZ 3Å; E388-K392 PolarHBondContact OE1-NZ 3.17Å; E388-K392 IonicContact OE2-NZ 4Å; E388-K392 PolarHBondContact OE2-NZ 3.21Å
389S64.6Low61Low65 Ų65122.2 Ų122.246%0.45563%0.629SS.*Hα-helixtrans-63.6-33.2-179.856.70000112.4D385 E386D385-S389 VanDerWaalsContact O-CB 3.28Å; D385-S389 WeakPolarHBondContact O-CB 3.25Å; D385-S389 PolarHBondContact O-N 2.91Å; D385-S389 PolarHBondContact O-OG 3.02Å; E386-S389 WeakPolarHBondContact CA-OG 3.47Å; E386-S389 PolarHBondContact O-OG 3.45Å; E386-S389 VanDerWaalsContact O-OG 3.1Å
390R66.3Low60.6Low149 Ų149119 Ų11956%0.56263%0.626SS**Hα-helixtrans-66.2-44.1169.7-75.5165.257.1-172-8.3112.3E386 L387 E388 S393E386-R390 WeakPolarHBondContact O-CB 3.45Å; E386-R390 VanDerWaalsContact O-CD 3.24Å; E386-R390 WeakPolarHBondContact O-CD 3.42Å; E386-R390 WeakPolarHBondContact O-CG 3.39Å; E386-R390 PolarHBondContact O-N 3.13Å; E386-R390 VanDerWaalsContact O-N 3.11Å; E386-R390 IonicContact OE1-CZ 3.72Å; E386-R390 IonicContact OE1-NH1 3.78Å; E386-R390 PolarHBondContact OE1-NH1 3.03Å; L387-R390 PolarHBondContact O-N 3.29Å; E388-R390 VanDerWaalsContact C-N 3.28Å; E388-R390 PolarHBondContact O-N 3.32Å; R390-S393 PolarHBondContact O-OG 3.02Å
391L56.5Low60.5Low154 Ų154120.2 Ų120.281%0.80664%0.638SS**Hα-helixtrans-71.5-34179.9-74.3168.4000113.7L387 E388 S393L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CG 3.23Å; L387-L391 PolarHBondContact O-N 2.67Å; E388-L391 PolarHBondContact O-N 2.86Å; E388-L391 VanDerWaalsContact O-N 3.1Å; L391-S393 PolarHBondContact O-N 2.96Å
392K57.6Low60.2Low136 Ų136121.6 Ų121.659%0.59164%0.643SS**THydrogen-bonded Turntrans-77-3.7179.2-69.2169.2-178.5176.50113.3E388 K394E388-K392 HydrophobicContact CB-CD 4.37Å; E388-K392 VanDerWaalsContact CD-CE 3.48Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 VanDerWaalsContact O-CG 3.25Å; E388-K392 WeakPolarHBondContact O-CG 3.31Å; E388-K392 PolarHBondContact O-N 3.3Å; E388-K392 WeakPolarHBondContact OE1-CE 3.48Å; E388-K392 IonicContact OE1-NZ 3Å; E388-K392 PolarHBondContact OE1-NZ 3.17Å; E388-K392 IonicContact OE2-NZ 4Å; E388-K392 PolarHBondContact OE2-NZ 3.21Å; K392-K394 PolarHBondContact O-N 3.32Å
393S48.7Very low59Low70 Ų70121.6 Ų121.649%0.4964%0.642SS.*SBendtrans-7992.3-174.472.20000113.8R390 L391R390-S393 PolarHBondContact O-OG 3.02Å; L391-S393 PolarHBondContact O-N 2.96Å
394K55.1Low58.2Low178 Ų178121 Ų12177%0.77465%0.649SS**  trans90.4112.9174.6-53.2141.9-171.7156.40114.8K392 L396K392-K394 PolarHBondContact O-N 3.32Å; K394-L396 PolarHBondContact O-N 2.7Å; K394-L396 VanDerWaalsContact O-N 3.1Å
395P45.5Very low57.5Low124 Ų124121.6 Ų121.681%0.80566%0.663SS**  trans-68.7107.2161.229.2-31.9000109.1T397P395-T397 PolarHBondContact O-N 2.59Å
396L48Very low56.5Low158 Ų158123.6 Ų123.683%0.82767%0.673SS**  trans-67.8100.8167-84.2165.6000108.5K394 V398K394-L396 PolarHBondContact O-N 2.7Å; K394-L396 VanDerWaalsContact O-N 3.1Å; L396-V398 VanDerWaalsContact C-N 3.25Å; L396-V398 PolarHBondContact O-N 2.87Å
397T49.9Very low55Low130 Ų130122.3 Ų122.380%0.79868%0.681SS**  trans-64.488.6168.948.60000109.2P395 Q399P395-T397 PolarHBondContact O-N 2.59Å; T397-Q399 PolarHBondContact O-N 2.94Å
398V47.7Very low53.9Low134 Ų134121.6 Ų121.681%0.81270%0.695SS**  trans-66.881169.1-76.80000108.9L396 S400L396-V398 VanDerWaalsContact C-N 3.25Å; L396-V398 PolarHBondContact O-N 2.87Å; V398-S400 VanDerWaalsContact C-N 3.32Å; V398-S400 PolarHBondContact O-N 2.92Å
399Q48.7Very low52.9Low179 Ų179129.4 Ų129.484%0.83672%0.721SS**  trans-66.793179.8-167.1173.63400108.5T397 V401T397-Q399 PolarHBondContact O-N 2.94Å; Q399-V401 PolarHBondContact O-N 3.27Å
400S55Low51.9Low89 Ų89136.2 Ų136.262%0.62274%0.742SS**  trans-58.9110-179.5-177.60000109.7V398 F402V398-S400 VanDerWaalsContact C-N 3.32Å; V398-S400 PolarHBondContact O-N 2.92Å; S400-F402 PolarHBondContact O-N 2.79Å; S400-F402 VanDerWaalsContact O-N 3.09Å
401V56.1Low50.7Low146 Ų146133 Ų13389%0.88576%0.756SS**  trans-75.410.1178.2-133.20000112.3Q399 C403Q399-V401 PolarHBondContact O-N 3.27Å; V401-C403 PolarHBondContact O-N 2.93Å
402F59.7Low49.7Very low167 Ų167129.6 Ų129.673%0.73276%0.758SS**SBendtrans-82.8100.8-178.4-167.2-101.4000111.3S400 S404S400-F402 PolarHBondContact O-N 2.79Å; S400-F402 VanDerWaalsContact O-N 3.09Å; F402-S404 PolarHBondContact O-N 2.84Å
403C46.3Very low49Very low67 Ų67135.6 Ų135.645%0.45378%0.777SS.*  trans61.434.5154.9-59.30000117.9V401 S405 L406V401-C403 PolarHBondContact O-N 2.93Å; C403-S405 PolarHBondContact O-N 2.83Å; C403-L406 HydrophobicContact CB-CD1 4.2Å; C403-L406 PolarHBondContact O-N 3.19Å; C403-L406 VanDerWaalsContact O-N 3.15Å
404S56Low48.4Very low94 Ų94136 Ų13666%0.65779%0.792SS**G310 helixtrans-54.1-26.2172.1-43.80000113.7F402 L406 A407F402-S404 PolarHBondContact O-N 2.84Å; S404-L406 PolarHBondContact O-N 3.2Å; S404-A407 WeakPolarHBondContact O-CB 3.24Å; S404-A407 PolarHBondContact O-N 2.87Å
405S56.8Low47.5Very low126 Ų126131.6 Ų131.688%0.88180%0.797SS**G310 helixtrans-69.6-3.1179.6-47.40000115.5C403C403-S405 PolarHBondContact O-N 2.83Å
406L53.2Low47Very low150 Ų150132.6 Ų132.679%0.78580%0.796SS**G310 helixtrans-92.6-7.2173.3-64.2178.4000113.4C403 S404 G408C403-L406 HydrophobicContact CB-CD1 4.2Å; C403-L406 PolarHBondContact O-N 3.19Å; C403-L406 VanDerWaalsContact O-N 3.15Å; S404-L406 PolarHBondContact O-N 3.2Å; L406-G408 PolarHBondContact O-N 3.05Å
407A51.5Low46.7Very low80 Ų80134 Ų13466%0.66180%0.795SS**  trans-78.758.2-17800000113.5S404 R409S404-A407 WeakPolarHBondContact O-CB 3.24Å; S404-A407 PolarHBondContact O-N 2.87Å; A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 2.95Å
408G40.9Very low45.9Very low75 Ų75131.3 Ų131.377%0.77379%0.793SS**  trans-69.672.7-177.300000115.1L406 K410L406-G408 PolarHBondContact O-N 3.05Å; G408-K410 PolarHBondContact O-N 2.76Å; G408-K410 VanDerWaalsContact O-N 3.11Å
409R46.7Very low45.6Very low246 Ų246135.2 Ų135.293%0.92880%0.799SS**  trans-68.3102.7176.2-84.4-173.9165.3-102.7-1.8112.6A407 G411A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 2.95Å; R409-G411 PolarHBondContact O-N 2.75Å
410K43.7Very low44.9Very low208 Ų208130.1 Ų130.190%0.90480%0.795SS**  trans-91.689.7174.6-173.5-173.9176.3-175.50112.5G408G408-K410 PolarHBondContact O-N 2.76Å; G408-K410 VanDerWaalsContact O-N 3.11Å
411G41.6Very low43.8Very low83 Ų83134.6 Ų134.686%0.85681%0.808SS**  trans77.4131.5152.300000118.8R409R409-G411 PolarHBondContact O-N 2.75Å
412G35.8Very low42.9Very low82 Ų82132.3 Ų132.385%0.84580%0.799SS**  trans-171.8131.9167.200000110
413R42Very low41.8Very low262 Ų262133.7 Ų133.799%0.98980%0.804SS**  trans-115.3146.1-179.6-84.7-178.4167.9-178.3-3.8110.8
414G37Very low41.2Very low78 Ų78135.9 Ų135.980%0.80482%0.82SS**  trans131131.9-174.800000108.3
415G35.2Very low39.9Very low85 Ų85135.5 Ų135.588%0.87683%0.832SS**  cis89.4124.523.600000109.1
416D36.1Very low39Very low146 Ų146134.1 Ų134.178%0.78183%0.828SS**  cis-155.3175.23.5171.2-125.5000108.9
417K41Very low38.6Very low186 Ų186133.1 Ų133.181%0.80983%0.83SS**  trans74.4126-179.9-56159.6-174.2163.20114.4
418G33.9Very low37.6Very low74 Ų74132.9 Ų132.976%0.76384%0.835SS**  cis99.981.3-6.600000115.1
419K41Very low37.5Very low217 Ų217137.1 Ų137.194%0.94384%0.841SS**  trans-158.4121.8146.6-122179.6-177-179.20109.5
420G33.6Very low37Very low72 Ų72130 Ų13074%0.74283%0.828SS**  trans-105.1168171.700000111.6
421M32.6Very low36.9Very low183 Ų183129.2 Ų129.290%0.90183%0.825SS**  trans-140.6142.1160.2-174.153.165.400109
422S36.5Very low36.6Very low98 Ų98131.8 Ų131.869%0.68582%0.824SS**  trans-118.6145.7-167.255.70000113
423K36.6Very low36.5Very low195 Ų195131.5 Ų131.585%0.84882%0.822SS**  trans-174.1102.3148.5-100.6154.4-177.2-175.70107.4
424S33.7Very low35.9Very low113 Ų113123 Ų12379%0.7982%0.815SS**  76.8107.571.372.50000113.2
425G29.4Very low35.7Very low87 Ų87123 Ų12390%0.89782%0.815SS**  trans176.371.3-179.200000114.2
426A36.4Very low35.9Very low97 Ų97126.8 Ų126.880%0.80281%0.814SS**  trans-123.7153.8165.700000107.1
427P45.8Very low36.1Very low128 Ų128127 Ų12783%0.83182%0.815SS**  cis-119.1177.843.223.7-2.2000113.2
428G30.1Very low36Very low75 Ų75126.6 Ų126.677%0.77382%0.822SS**  cis124.9124.93.500000111.7
429N38.8Very low36Very low165 Ų165126.5 Ų126.588%0.88282%0.821SS**  trans-151.3150.9168.9-166.914.8000110.2
430S37.3Very low35.8Very low96 Ų96123.5 Ų123.567%0.67182%0.815SS**  trans-134.2142.8-17662.60000111.3
431K41.1Very low36.3Very low191 Ų191125.1 Ų125.183%0.8382%0.815SS**  trans-174.5129.7151.1-107.7155.6-173.9177.90113.6
432T35.3Very low36.3Very low137 Ų137119.6 Ų119.684%0.8481%0.805SS**  trans28.6139.1139.2540000121.3
433G32.5Very low36.4Very low77 Ų77124.4 Ų124.479%0.79481%0.814SS**  cis164.1-177.70.900000114.2
434G31Very low36.5Very low83 Ų83123.5 Ų123.586%0.85682%0.817SS**  trans93135.4-172.300000112.1
435G31Very low36.9Very low77 Ų77127.4 Ų127.479%0.79482%0.82SS**  cis96124.213.300000110.4
436L40.4Very low37.1Very low166 Ų166133.8 Ų133.887%0.86982%0.823SS**  cis-126152.116.6-62.5108.8000110.1
437N39.5Very low37.2Very low150 Ų150134 Ų13480%0.80283%0.825SS**  64.786.861.8-87.8-0.2000115.5
438D39.7Very low37Very low178 Ų178136 Ų13695%0.95282%0.82SS**  trans-157.8149.4148.9-99.9-43.6000109.2
439G34.3Very low37.4Very low71 Ų71141.6 Ų141.673%0.73283%0.826SS**  cis178.2-15.9-1.900000118.2
440D37.3Very low37.4Very low154 Ų154140.4 Ų140.482%0.82482%0.816SS**  trans-138.8157.9-176.8-174.1-122.9000115.4
441S42.3Very low37.4Very low107 Ų107143.7 Ų143.775%0.74883%0.826SS**  trans-14660-172.657.80000115.3K443S441-K443 PolarHBondContact O-N 3Å; S441-K443 VanDerWaalsContact O-N 3.1Å
442G33Very low37.1Very low66 Ų66145.8 Ų145.868%0.6883%0.828SS**  trans-70.59317700000116.3L444G442-L444 PolarHBondContact O-N 2.81Å
443K39Very low37.6Very low200 Ų200146 Ų14687%0.8783%0.83SS**  trans-70.8102.7169.6-71.6179.6-179.2173.20112.1S441 K445S441-K443 PolarHBondContact O-N 3Å; S441-K443 VanDerWaalsContact O-N 3.1Å; K443-K445 PolarHBondContact O-N 3.04Å
444L39.3Very low37.9Very low175 Ų175147.8 Ų147.892%0.91683%0.83SS**PPolyproline II helixtrans-69126.1170.7-70174.6000111.6G442G442-L444 PolarHBondContact O-N 2.81Å
445K40.5Very low38.4Very low196 Ų196150.2 Ų150.285%0.85282%0.823SS**PPolyproline II helixtrans-90.2153.6172.7-68.8179179.6175.30110.4K443 A447K443-K445 PolarHBondContact O-N 3.04Å; K445-A447 PolarHBondContact O-N 3.25Å
446F34.6Very low39.2Very low220 Ų220152.7 Ų152.797%0.96583%0.825SS**PPolyproline II helixtrans-60.1129.2171.8-72.3-100.4000111.3
447A39.2Very low39.7Very low101 Ų101148.1 Ų148.184%0.83581%0.807SS**  trans-119.1124.3159.200000108K445K445-A447 PolarHBondContact O-N 3.25Å
448K41.1Very low40.5Very low170 Ų170148.9 Ų148.974%0.73981%0.806SS**  trans-89.5124.4-177.5178.6-163.6174.5-157.80109.3E450K448-E450 VanDerWaalsContact CE-CD 3.5Å; K448-E450 WeakPolarHBondContact CE-OE2 3.39Å; K448-E450 IonicContact NZ-OE2 2.64Å; K448-E450 PolarHBondContact NZ-OE2 2.94Å
449Q39Very low41.4Very low193 Ų193145.5 Ų145.590%0.90279%0.794SS**  trans-139.8134.1156.6-162.3164.2-0.300110.4
450E38.6Very low42.8Very low141 Ų141146.7 Ų146.766%0.65980%0.797SS**  trans-94.4123.7-176.3-72.7166.694.500110.5K448K448-E450 VanDerWaalsContact CE-CD 3.5Å; K448-E450 WeakPolarHBondContact CE-OE2 3.39Å; K448-E450 IonicContact NZ-OE2 2.64Å; K448-E450 PolarHBondContact NZ-OE2 2.94Å
451N36Very low44.3Very low164 Ų164142.3 Ų142.388%0.87777%0.773SS**  trans-160.1103.6137.5-108.4-26.3000110.4
452R34.8Very low45.8Very low236 Ų236143.7 Ų143.789%0.89177%0.767SS**  trans-86.2136.9155.1-62.6177.9176.4-172-2.1104.9
453T46Very low47.8Very low142 Ų142144.9 Ų144.987%0.87176%0.763SS**  cis-139122.244.650.90000114.4
454S40Very low49.4Very low113 Ų113139.1 Ų139.179%0.7975%0.748SS**  trans-135.6134149.460.30000108.1
455N40.5Very low51Low135 Ų135138.9 Ų138.972%0.72274%0.735SS**  trans-122.191.1-175.7-176.749.5000110.2S457N455-S457 VanDerWaalsContact C-N 3.32Å; N455-S457 PolarHBondContact ND2-OG 2.73Å; N455-S457 PolarHBondContact O-N 2.73Å
456P47.5Very low52.9Low129 Ų129134.8 Ų134.884%0.83872%0.719SS**  trans-83.171.9-176.334.3-35000110.9
457S50.5Low55Low69 Ų69127.2 Ų127.248%0.48370%0.697SS.*  trans-135.232.5-174.381.90000115.8N455N455-S457 VanDerWaalsContact C-N 3.32Å; N455-S457 PolarHBondContact ND2-OG 2.73Å; N455-S457 PolarHBondContact O-N 2.73Å
458Q56.8Low56.9Low167 Ų167125.7 Ų125.778%0.7868%0.68SS**SBendtrans-140.8131155.3-71.7-66.3-85.800108A460Q458-A460 PolarHBondContact O-N 2.9Å
459P58.9Low58.9Low107 Ų107124.8 Ų124.870%0.69568%0.676SS**PPolyproline II helixtrans-67.3130.3162.829.6-31.5000108.2L461P459-L461 PolarHBondContact O-N 2.86Å
460A64Low60.9Low96 Ų96122.2 Ų122.279%0.79366%0.662SS**PPolyproline II helixtrans-59.3126.4176.200000109.6Q458Q458-A460 PolarHBondContact O-N 2.9Å
461L68.9Low62.9Low62 Ų62123.4 Ų123.433%0.32566%0.66SS.*PPolyproline II helixtrans-65.5140179.5-84.570.7000109P459 W465 E466P459-L461 PolarHBondContact O-N 2.86Å; L461-W465 HydrophobicContact CB-CE3 4.22Å; L461-W465 HydrophobicContact CD2-CD2 3.94Å; L461-W465 HydrophobicContact CD2-CE3 3.52Å; L461-W465 HydrophobicContact CD2-CG 4.42Å; L461-W465 HydrophobicContact CD2-CZ3 3.97Å; L461-W465 HydrophobicContact CG-CD2 4.47Å; L461-W465 HydrophobicContact CG-CE3 3.63Å; L461-W465 HydrophobicContact CG-CZ3 4.01Å; L461-E466 HydrophobicContact CB-CG 3.93Å
462H73Confident65Low135 Ų135123.4 Ų123.463%0.62565%0.653SS**PPolyproline II helixtrans-57.1139.6178.1-170.6-99000110.2S464 W465 E466H462-S464 PolarHBondContact ND1-OG 2.98Å; H462-S464 PolarHBondContact O-N 2.92Å; H462-W465 WeakPolarHBondContact O-CA 3.36Å; H462-W465 WeakPolarHBondContact O-CB 3.37Å; H462-W465 PolarHBondContact O-N 2.64Å; H462-E466 PolarHBondContact O-N 3.42Å
463P75.6Confident67.1Low91 Ų91118.1 Ų118.159%0.59164%0.638SS**Hα-helixtrans-55.7-30.7-168.5-30.536.4000115.3W465 E466 A467P463-W465 VanDerWaalsContact C-N 3.25Å; P463-W465 PolarHBondContact O-N 3.22Å; P463-E466 PolarHBondContact O-N 3.09Å; P463-A467 WeakPolarHBondContact O-CB 3.27Å; P463-A467 PolarHBondContact O-N 2.86Å
464S73.5Confident68.4Low80 Ų80117.9 Ų117.956%0.55963%0.627SS**Hα-helixtrans-63.2-28.517455.70000113.7H462 S468H462-S464 PolarHBondContact ND1-OG 2.98Å; H462-S464 PolarHBondContact O-N 2.92Å; S464-S468 WeakPolarHBondContact O-CB 3.41Å; S464-S468 PolarHBondContact O-N 2.78Å; S464-S468 VanDerWaalsContact O-N 3.12Å
465W72.5Confident69.7Low170 Ų170118 Ų11864%0.64462%0.615SS**Hα-helixtrans-85.1-36-179.3-150.820.4000111.7L461 H462 P463 S468 K469L461-W465 HydrophobicContact CB-CE3 4.22Å; L461-W465 HydrophobicContact CD2-CD2 3.94Å; L461-W465 HydrophobicContact CD2-CE3 3.52Å; L461-W465 HydrophobicContact CD2-CG 4.42Å; L461-W465 HydrophobicContact CD2-CZ3 3.97Å; L461-W465 HydrophobicContact CG-CD2 4.47Å; L461-W465 HydrophobicContact CG-CE3 3.63Å; L461-W465 HydrophobicContact CG-CZ3 4.01Å; H462-W465 WeakPolarHBondContact O-CA 3.36Å; H462-W465 WeakPolarHBondContact O-CB 3.37Å; H462-W465 PolarHBondContact O-N 2.64Å; P463-W465 VanDerWaalsContact C-N 3.25Å; P463-W465 PolarHBondContact O-N 3.22Å; W465-S468 WeakPolarHBondContact O-CB 3.27Å; W465-S468 PolarHBondContact O-N 3.43Å; W465-K469 PolarHBondContact O-N 2.83Å
466E79.8Confident71Confident110 Ų110114.9 Ų114.951%0.51462%0.615SS.*Hα-helixtrans-62.4-43.6167.9-61.7-161.9147.300111.9L461 H462 P463 S468 K469 K470L461-E466 HydrophobicContact CB-CG 3.93Å; H462-E466 PolarHBondContact O-N 3.42Å; P463-E466 PolarHBondContact O-N 3.09Å; E466-S468 VanDerWaalsContact C-N 3.31Å; E466-S468 PolarHBondContact O-N 3.27Å; E466-K469 PolarHBondContact O-N 2.82Å; E466-K470 PolarHBondContact O-N 2.68Å
467A78.3Confident71.6Confident60 Ų60116.3 Ų116.350%0.49661%0.61SS.*Hα-helixtrans-60.4-40.117400000112.1P463 R471P463-A467 WeakPolarHBondContact O-CB 3.27Å; P463-A467 PolarHBondContact O-N 2.86Å; A467-R471 WeakPolarHBondContact O-CB 3.35Å; A467-R471 PolarHBondContact O-N 3.43Å
468S80.1Confident72.2Confident70 Ų70119.2 Ų119.249%0.4962%0.619SS.*Hα-helixtrans-63.6-42.6174.2-169.70000112.1S464 W465 E466 R471 K472S464-S468 WeakPolarHBondContact O-CB 3.41Å; S464-S468 PolarHBondContact O-N 2.78Å; S464-S468 VanDerWaalsContact O-N 3.12Å; W465-S468 WeakPolarHBondContact O-CB 3.27Å; W465-S468 PolarHBondContact O-N 3.43Å; E466-S468 VanDerWaalsContact C-N 3.31Å; E466-S468 PolarHBondContact O-N 3.27Å; S468-R471 PolarHBondContact O-N 3.33Å; S468-K472 PolarHBondContact O-N 3.33Å
469K83.1Confident72.5Confident151 Ų151119 Ų11966%0.65762%0.623SS**Hα-helixtrans-62.9-49.5176.5-169.3177.3178.6-176.60111.5W465 E466 R471 K472 E473W465-K469 PolarHBondContact O-N 2.83Å; E466-K469 PolarHBondContact O-N 2.82Å; K469-R471 VanDerWaalsContact C-N 3.32Å; K469-R471 PolarHBondContact O-N 3.1Å; K469-K472 PolarHBondContact O-N 3.29Å; K469-K472 VanDerWaalsContact O-N 3.15Å; K469-E473 WeakPolarHBondContact O-CB 3.39Å; K469-E473 PolarHBondContact O-N 3.08Å
470K81.1Confident72.7Confident138 Ų138118 Ų11860%0.662%0.623SS**Hα-helixtrans-59.6-38.1174.9-84.9-176.4171.8175.20112.8E466 E473 Q474E466-K470 PolarHBondContact O-N 2.68Å; K470-E473 PolarHBondContact O-N 3.05Å; K470-Q474 WeakPolarHBondContact O-CG 3.14Å; K470-Q474 PolarHBondContact O-N 3.29Å
471R80.4Confident72.8Confident166 Ų166122.8 Ų122.863%0.62663%0.626SS**Hα-helixtrans-63.1-41.7175-175.5-179.8-179.3178.63.3112.1A467 S468 K469 Q475A467-R471 WeakPolarHBondContact O-CB 3.35Å; A467-R471 PolarHBondContact O-N 3.43Å; S468-R471 PolarHBondContact O-N 3.33Å; K469-R471 VanDerWaalsContact C-N 3.32Å; K469-R471 PolarHBondContact O-N 3.1Å; R471-Q475 WeakPolarHBondContact O-CG 3.48Å; R471-Q475 PolarHBondContact O-N 3.15Å; R471-Q475 VanDerWaalsContact O-N 3.12Å
472K79.2Confident72.5Confident165 Ų165128.8 Ų128.872%0.71765%0.652SS**Hα-helixtrans-68.3-37.4176.9-169.2175.7-179.5-178.40111.8S468 K469 Q475 G476S468-K472 PolarHBondContact O-N 3.33Å; K469-K472 PolarHBondContact O-N 3.29Å; K469-K472 VanDerWaalsContact O-N 3.15Å; K472-Q475 PolarHBondContact O-N 3.12Å; K472-G476 PolarHBondContact O-N 3.28Å
473E78.6Confident72.6Confident124 Ų124124.6 Ų124.658%0.57965%0.646SS**Hα-helixtrans-62.3-48.8174.5-173.1169.4-147.400111.7K469 K470 Q475 G476 Q477K469-E473 WeakPolarHBondContact O-CB 3.39Å; K469-E473 PolarHBondContact O-N 3.08Å; K470-E473 PolarHBondContact O-N 3.05Å; E473-Q475 VanDerWaalsContact C-N 3.27Å; E473-Q475 PolarHBondContact O-N 3.1Å; E473-G476 PolarHBondContact O-N 3.21Å; E473-Q477 PolarHBondContact O-N 3.48Å
474Q74.8Confident72.6Confident137 Ų137129.8 Ų129.864%0.6466%0.659SS**Hα-helixtrans-59.3-35173.6-73.8174.8-12.600113.2K470 Q477K470-Q474 WeakPolarHBondContact O-CG 3.14Å; K470-Q474 PolarHBondContact O-N 3.29Å; Q474-Q477 PolarHBondContact O-N 2.79Å
475Q67.3Low72.3Confident117 Ų117135.7 Ų135.755%0.54768%0.675SS.*Hα-helixtrans-74.2-29.5174.9-72.9178.5-28.400113R471 K472 E473 Q477 I478R471-Q475 WeakPolarHBondContact O-CG 3.48Å; R471-Q475 PolarHBondContact O-N 3.15Å; R471-Q475 VanDerWaalsContact O-N 3.12Å; K472-Q475 PolarHBondContact O-N 3.12Å; E473-Q475 VanDerWaalsContact C-N 3.27Å; E473-Q475 PolarHBondContact O-N 3.1Å; Q475-Q477 VanDerWaalsContact C-N 3.32Å; Q475-I478 WeakPolarHBondContact O-CD1 3.42Å; Q475-I478 WeakPolarHBondContact O-CG1 3.49Å
476G66.8Low72.5Confident69 Ų69134.1 Ų134.171%0.71168%0.678SS**Hα-helixtrans-73.4-22.5170.500000113.6K472 E473 I478K472-G476 PolarHBondContact O-N 3.28Å; E473-G476 PolarHBondContact O-N 3.21Å; G476-I478 VanDerWaalsContact C-N 3.3Å; G476-I478 PolarHBondContact O-N 3.07Å
477Q61.6Low72.1Confident159 Ų159137.5 Ų137.574%0.74369%0.691SS**THydrogen-bonded Turntrans-88.912.2179-154.2170.812.100113.6E473 Q474 Q475 L479E473-Q477 PolarHBondContact O-N 3.48Å; Q474-Q477 PolarHBondContact O-N 2.79Å; Q475-Q477 VanDerWaalsContact C-N 3.32Å; Q477-L479 PolarHBondContact O-N 3.38Å
478I63Low71.4Confident130 Ų130143.6 Ų143.667%0.66771%0.706SS**  trans-67.8104.2170.5-62.5173.4000108.3Q475 G476 A480Q475-I478 WeakPolarHBondContact O-CD1 3.42Å; Q475-I478 WeakPolarHBondContact O-CG1 3.49Å; G476-I478 VanDerWaalsContact C-N 3.3Å; G476-I478 PolarHBondContact O-N 3.07Å; I478-A480 PolarHBondContact O-N 3.48Å
479L61.8Low70.9Confident163 Ų163147.8 Ų147.885%0.85372%0.723SS**  trans-56.2129.9179.3-161.876.8000110.2Q477 F481Q477-L479 PolarHBondContact O-N 3.38Å; L479-F481 PolarHBondContact O-N 3.27Å
480A63.7Low69.6Low85 Ų85152 Ų15270%0.70275%0.753SS**  trans-56.3122.9-175.300000111.3I478 Q482I478-A480 PolarHBondContact O-N 3.48Å; A480-Q482 PolarHBondContact O-N 2.88Å
481F64.9Low69Low196 Ų196152.8 Ų152.886%0.8676%0.761SS**  trans-68.895.9-172.8-176.2-100.7000111.3L479 G483L479-F481 PolarHBondContact O-N 3.27Å; F481-G483 PolarHBondContact O-N 3.4Å
482Q64Low68.4Low188 Ų188152.1 Ų152.188%0.87977%0.768SS**  trans-72.675.9172-67.7-167.9-0.900110.4A480 K484A480-Q482 PolarHBondContact O-N 2.88Å; Q482-K484 PolarHBondContact O-N 2.77Å
483G75.4Confident67.8Low47 Ų47151.3 Ų151.349%0.48577%0.771SS.*  trans-61.298.9176.300000111.4F481 K485F481-G483 PolarHBondContact O-N 3.4Å; G483-K485 PolarHBondContact O-N 3.42Å; G483-K485 VanDerWaalsContact O-N 3.14Å
484K75.1Confident67.2Low200 Ų200152.9 Ų152.987%0.8778%0.782SS**  trans-70.3108179.7-154.1172.7-170.21780109Q482 I486Q482-K484 PolarHBondContact O-N 2.77Å; K484-I486 PolarHBondContact O-N 2.64Å
485K67.8Low66.7Low204 Ų204153.9 Ų153.989%0.88779%0.791SS**  trans-61.5109.8178.9-78.4-174.8173.9-179.20110.3G483G483-K485 PolarHBondContact O-N 3.42Å; G483-K485 VanDerWaalsContact O-N 3.14Å
486I76.6Confident66.7Low138 Ų138156.4 Ų156.471%0.70881%0.807SS**PPolyproline II helixtrans-80.9130.6165.3-55.6173.9000106.9K484 F488K484-I486 PolarHBondContact O-N 2.64Å; I486-F488 HydrophobicContact CG2-CE2 4.31Å
487K70.4Confident66.7Low181 Ų181162.6 Ų162.679%0.78781%0.814SS**PPolyproline II helixtrans-95.7142.7159.7-69.9-174.7176.7-174.50107.6
488F64.6Low67.1Low188 Ų188162.9 Ų162.983%0.82582%0.819SS**PPolyproline II helixtrans-94.1135.6158.6-69.8-96.4000106.5I486I486-F488 HydrophobicContact CG2-CE2 4.31Å
489D68.1Low67.4Low157 Ų157165.7 Ų165.784%0.8483%0.832SS**PPolyproline II helixtrans-86.8147.6164.3-59.8-48.4000107.8
490D57Low67.9Low241 Ų241165.9 Ų165.9100%1.28983%0.83SS**  trans-104.90-170.2-170.151.4000110.5

Retrieved 490 of 490 residues in 644.8 ms (Link to these results)