G4VSD6_SCHMA Loading...

Mucin-5AC-like

AlphaFold DB , UniProt , Accession G4VSD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 282 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
1M44.3Very low59.1Low228 Ų228160.9 Ų160.9100%1.12384%0.837SS**  099.10-73.2175.370.900109.3
2P61.7Low58.4Low134 Ų134156.7 Ų156.787%0.8783%0.829SS**PPolyproline II helixtrans-64.5132.3172.5-25.737.1000111.9
3R71.4Confident58.5Low249 Ų249153.3 Ų153.394%0.9482%0.822SS**PPolyproline II helixtrans-73.1129.8-178.5-68.9178.5174.3158-1.7109.7
4R66.7Low58.4Low232 Ų232152.5 Ų152.588%0.87583%0.825SS**PPolyproline II helixtrans-66.1140.8174.7-75.6175.1146.2-179.5-8.1110.4N6R4-N6 PolarHBondContact O-N 3.38Å
5S65.4Low58.5Low107 Ų107150.7 Ų150.775%0.74882%0.821SS**  trans-44.6121.3174.547.20000114.1
6N61.4Low58.7Low170 Ų170156.4 Ų156.491%0.90983%0.827SS**  trans-95.774.9156.2-68.23.7000107.2R4R4-N6 PolarHBondContact O-N 3.38Å
7A57.8Low58.8Low86 Ų86161.6 Ų161.671%0.71183%0.833SS**  trans-94.1109.8166.300000106.4
8N54Low59.2Low133 Ų133160.3 Ų160.371%0.71183%0.833SS**  trans-59131.6176.8-100.1-37.6000109.4D10N8-D10 PolarHBondContact O-N 3.04Å
9P61.2Low59.8Low117 Ų117157.9 Ų157.976%0.7683%0.832SS**THydrogen-bonded Turntrans-75.8-2.6179.330.2-34.6000114.1E11P9-E11 VanDerWaalsContact C-N 3.34Å; P9-E11 PolarHBondContact O-N 3.46Å
10D56.1Low60.1Low138 Ų138154.7 Ų154.774%0.73883%0.828SS**THydrogen-bonded Turntrans-85.3-1.4-174.3-67.8-36.1000114.6N8 C12N8-D10 PolarHBondContact O-N 3.04Å; D10-C12 VanDerWaalsContact C-N 3.3Å; D10-C12 PolarHBondContact O-N 2.96Å
11E50.7Low60.4Low176 Ų176159.1 Ų159.182%0.82283%0.833SS**  trans-85.579.3177.3-152.5157.5-168.500109.4P9P9-E11 VanDerWaalsContact C-N 3.34Å; P9-E11 PolarHBondContact O-N 3.46Å
12C49.6Very low61.1Low110 Ų110156 Ų15674%0.74382%0.819SS**  trans-54.3127.7169.9-74.70000109.2D10 V14D10-C12 VanDerWaalsContact C-N 3.3Å; D10-C12 PolarHBondContact O-N 2.96Å; C12-V14 PolarHBondContact O-N 3.06Å
13P59.6Low61.4Low113 Ų113154 Ų15473%0.73481%0.814SS**  trans-60.5132.5-176.723.6-32.7000110T15P13-T15 PolarHBondContact O-N 3.23Å
14V57.8Low60.7Low142 Ų142146.7 Ų146.786%0.86181%0.807SS**  trans-51.7105.1175.8178.70000108.7C12 R16C12-V14 PolarHBondContact O-N 3.06Å; V14-R16 PolarHBondContact O-N 3.12Å; V14-R16 VanDerWaalsContact O-N 3.1Å
15T59.9Low60Low125 Ų125140.4 Ų140.477%0.76781%0.805SS**PPolyproline II helixtrans-60116.7176.743.60000108.6P13 R17P13-T15 PolarHBondContact O-N 3.23Å; T15-R17 PolarHBondContact O-N 3.03Å; T15-R17 VanDerWaalsContact O-N 3.09Å
16R61.9Low59.6Low242 Ų242144.3 Ų144.391%0.91381%0.811SS**PPolyproline II helixtrans-49.3118175.1-82.5-179.1170.7-165.5-2.6108.8V14 T18V14-R16 PolarHBondContact O-N 3.12Å; V14-R16 VanDerWaalsContact O-N 3.1Å; R16-T18 PolarHBondContact O-N 3.01Å; R16-T18 VanDerWaalsContact O-N 3.09Å
17R60.7Low59.1Low246 Ų246141 Ų14193%0.92881%0.807SS**PPolyproline II helixtrans-50.4116.7-179.9-68.3170.474.3-178.63.8108.9T15 S19T15-R17 PolarHBondContact O-N 3.03Å; T15-R17 VanDerWaalsContact O-N 3.09Å; R17-S19 PolarHBondContact O-N 3.19Å
18T65.1Low58.7Low138 Ų138141.6 Ų141.685%0.84781%0.813SS**PPolyproline II helixtrans-57.2124.2168.249.20000108.2R16R16-T18 PolarHBondContact O-N 3.01Å; R16-T18 VanDerWaalsContact O-N 3.09Å
19S70.1Confident58.4Low115 Ų115140 Ų14080%0.80481%0.812SS**PPolyproline II helixtrans-55135.5-177.741.70000111.8R17 R21R17-S19 PolarHBondContact O-N 3.19Å; S19-R21 PolarHBondContact O-N 2.93Å
20A65.9Low57.9Low92 Ų92140.8 Ų140.876%0.7682%0.817SS**PPolyproline II helixtrans-71.5124.117600000109.7I22A20-I22 PolarHBondContact O-N 3.25Å
21R66.4Low57.5Low248 Ų248138.3 Ų138.394%0.93682%0.816SS**  trans-72.8111.5170-65.6-178.1-171-176.42.1108.2S19S19-R21 PolarHBondContact O-N 2.93Å
22I59.6Low57.3Low162 Ų162139.4 Ų139.483%0.83182%0.818SS**PPolyproline II helixtrans-77.2123.2171.3-57.9175.5000107.5A20A20-I22 PolarHBondContact O-N 3.25Å
23A68.4Low56.7Low92 Ų92139.5 Ų139.576%0.7682%0.82SS**PPolyproline II helixtrans-72.3125.4174.700000109.9A25A23-A25 PolarHBondContact O-N 3.5Å
24A55.8Low56Low96 Ų96139.8 Ų139.879%0.79382%0.822SS**PPolyproline II helixtrans-67.2116.917200000109.5Q26A24-Q26 PolarHBondContact O-N 3.44Å
25A51.7Low55.5Low100 Ų100137.7 Ų137.783%0.82682%0.819SS**PPolyproline II helixtrans-65.2123.8169.600000108.8A23 A27A23-A25 PolarHBondContact O-N 3.5Å; A25-A27 PolarHBondContact O-N 3.33Å
26Q57.3Low54.7Low189 Ų189141.1 Ų141.188%0.88382%0.823SS**PPolyproline II helixtrans-65.2120.7176.6-65.2-174-8.200109.2A24 A28A24-Q26 PolarHBondContact O-N 3.44Å; Q26-A28 PolarHBondContact O-N 3.02Å
27A52Low53.5Low100 Ų100134.7 Ų134.783%0.82682%0.816SS**PPolyproline II helixtrans-57.5122.1171.200000109.1A25 S29A25-A27 PolarHBondContact O-N 3.33Å; A27-S29 PolarHBondContact O-N 3.3Å
28A48.6Very low53.5Low99 Ų99128.5 Ų128.582%0.81881%0.807SS**PPolyproline II helixtrans-57.3135174.800000110.1Q26Q26-A28 PolarHBondContact O-N 3.02Å
29S48Very low52.4Low100 Ų100131.6 Ų131.670%0.69980%0.803SS**  trans-44.6147.6-176.852.70000116A27 A31A27-S29 PolarHBondContact O-N 3.3Å; S29-A31 PolarHBondContact O-N 3.22Å
30P50.2Low51.4Low133 Ų133137.5 Ų137.586%0.86481%0.808SS**  trans-66.6116.3178.226.8-32.9000111.5K32P30-K32 PolarHBondContact O-N 3.47Å
31A48.1Very low50.2Low87 Ų87141.2 Ų141.272%0.71981%0.807SS**  trans-82.4116.3173.200000110.7S29S29-A31 PolarHBondContact O-N 3.22Å
32K45.8Very low49.1Very low199 Ų199134 Ų13487%0.86580%0.795SS**  trans69.794.9142.9-57.1173.6-178.7176.40118.2P30P30-K32 PolarHBondContact O-N 3.47Å
33S38.3Very low48.2Very low111 Ų111132.3 Ų132.378%0.77679%0.792SS**  trans-72.9176131.761.70000109.4
34P44.4Very low46.6Very low120 Ų120135.4 Ų135.478%0.77979%0.791SS**  cis-129.1159.5-14.638-22.8000112.4
35A46.9Very low45.6Very low97 Ų97138.8 Ų138.880%0.80279%0.79SS**  trans-159.5110157.200000114.8
36K43.4Very low45Very low198 Ų198138.5 Ų138.586%0.86179%0.788SS**  trans53.3104.7137.9-74.8174.5174.9175.40119.4P38K36-P38 WeakPolarHBondContact O-CD 3.38Å
37S36.9Very low44.2Very low107 Ų107139.1 Ų139.175%0.74879%0.787SS**  trans-34.3133.2143.3-177.50000114.7R39S37-R39 PolarHBondContact OG-N 3.28Å
38P60.7Low43.6Very low116 Ų116139.9 Ų139.975%0.75378%0.782SS**  trans-109.4106.9140.6-9.929.7000110.7K36 R40K36-P38 WeakPolarHBondContact O-CD 3.38Å; P38-R40 PolarHBondContact O-N 3.16Å
39R41.5Very low43.2Very low203 Ų203141.1 Ų141.177%0.76678%0.779SS**  trans-71.2101.5165-173.8-177.2-164.4175.85108.5S37 K41S37-R39 PolarHBondContact OG-N 3.28Å; R39-K41 HydrophobicContact CG-CG 4.38Å
40R50Low42.9Very low238 Ų238141.6 Ų141.690%0.89878%0.782SS**  trans-95.1105.6162.8-80.4-174.2172.6163.8-1.4109.1P38P38-R40 PolarHBondContact O-N 3.16Å
41K40Very low42.5Very low170 Ų170141.5 Ų141.574%0.73978%0.775SS**  trans-90115.5159.7-75.3-118.3-175.7-175.90106.9R39R39-K41 HydrophobicContact CG-CG 4.38Å
42S44.7Very low42.3Very low97 Ų97143.6 Ų143.668%0.67877%0.774SS**  trans-166.3113.8155.358.60000110.1
43T39.4Very low42.6Very low126 Ų126140.7 Ų140.777%0.77377%0.773SS**  trans42.5104.3137.242.30000117.5
44E34.7Very low43Very low157 Ų157142.5 Ų142.573%0.73477%0.769SS**  69.811477.7-168.8170.5-178.600113.1
45Q36.2Very low43.2Very low168 Ų168142 Ų14279%0.78577%0.768SS**  trans7095.4159.8-67.2178.848.500118.8
46A39Very low43.4Very low94 Ų94145.5 Ų145.578%0.77777%0.768SS**  trans-138.795.9139.700000108.2T48A46-T48 PolarHBondContact O-N 3.26Å; A46-T48 VanDerWaalsContact O-N 3.16Å
47K39.7Very low43.7Very low201 Ų201144.8 Ų144.887%0.87477%0.768SS**  trans-76.887.3172-164.1178.3-170.4-177.40106.5
48T40.4Very low44.3Very low117 Ų117144 Ų14472%0.71876%0.763SS**  trans-116.192.4165.652.10000107.5A46 S50A46-T48 PolarHBondContact O-N 3.26Å; A46-T48 VanDerWaalsContact O-N 3.16Å; T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 3.3Å
49V38.5Very low43.8Very low124 Ų124146.7 Ų146.775%0.75277%0.765SS**  trans-55.799.9151.9173.80000104.9
50S42.5Very low44.5Very low110 Ų110142.2 Ų142.277%0.76976%0.76SS**  trans-105.3108.2169.1174.80000105.4T48T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 3.3Å
51D42.9Very low45Very low131 Ų131139.5 Ų139.570%0.70176%0.755SS**  trans-48.5145.5171-68.4-72.3000112.9
52D42.9Very low45.9Very low132 Ų132136.3 Ų136.371%0.70675%0.754SS**  trans6277.9132.9-153.628.2000117.4E54D52-E54 PolarHBondContact OD1-N 3.28Å
53T51.9Low46.8Very low138 Ų138140.4 Ų140.485%0.84776%0.763SS**  trans-97.184.3142.856.10000107.5S55T53-S55 VanDerWaalsContact C-N 3.32Å; T53-S55 PolarHBondContact O-N 3.36Å
54E46.7Very low47.7Very low148 Ų148139.8 Ų139.869%0.69276%0.763SS**  trans-42.7101.6155.9-174.2-175.911300107.3D52 Q56D52-E54 PolarHBondContact OD1-N 3.28Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.27Å
55S48.8Very low49Very low109 Ų109137.2 Ų137.276%0.76276%0.762SS**  trans-64.299179.2-172.30000106.2T53 Q57T53-S55 VanDerWaalsContact C-N 3.32Å; T53-S55 PolarHBondContact O-N 3.36Å; S55-Q57 VanDerWaalsContact C-N 3.3Å; S55-Q57 PolarHBondContact O-N 3.29Å
56Q51.1Low50.5Low171 Ų171137.2 Ų137.280%0.79977%0.765SS**  trans-48.7100.4170.2-70.4-115.7-3.900107.4E54 S58E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.27Å; Q56-S58 PolarHBondContact O-N 3.26Å
57Q49.1Very low51.8Low183 Ų183140.6 Ų140.686%0.85576%0.764SS**  trans-67.488.7175.6-166.2177.10.900105S55 Q59S55-Q57 VanDerWaalsContact C-N 3.3Å; S55-Q57 PolarHBondContact O-N 3.29Å; Q57-Q59 PolarHBondContact O-N 3.04Å
58S50.8Low53.1Low91 Ų91139.3 Ų139.364%0.63676%0.762SS**  trans-53.9106179.3-175.70000107.3Q56 V60Q56-S58 PolarHBondContact O-N 3.26Å; S58-V60 PolarHBondContact O-N 3.14Å
59Q49.1Very low54.4Low172 Ų172141.6 Ų141.680%0.80477%0.768SS**  trans-69.770.6168.4-66.3-166-5.600107.6Q57 K61Q57-Q59 PolarHBondContact O-N 3.04Å; Q59-K61 PolarHBondContact O-N 3.09Å
60V56.2Low55.5Low110 Ų110144 Ų14467%0.66778%0.777SS**  trans-68.796.3159.8-730000105.9S58 S62S58-V60 PolarHBondContact O-N 3.14Å; V60-S62 PolarHBondContact O-N 3.32Å
61K60.7Low56.3Low180 Ų180141.3 Ų141.378%0.78377%0.766SS**  trans-60.687.1159.9-65.9172.3179.1177.70105.7Q59 E63Q59-K61 PolarHBondContact O-N 3.09Å; K61-E63 VanDerWaalsContact C-N 3.32Å; K61-E63 PolarHBondContact O-N 3.46Å
62S59.9Low56.8Low104 Ų104142.4 Ų142.473%0.72777%0.771SS**  trans-67.6102.8168.3-63.90000106.1V60 S64V60-S62 PolarHBondContact O-N 3.32Å; S62-S64 PolarHBondContact O-N 3.3Å
63E62.7Low57.5Low183 Ų183143.6 Ų143.686%0.85578%0.777SS**  trans-53.6108.5167.5-68.3165.512800106.7K61 S65K61-E63 VanDerWaalsContact C-N 3.32Å; K61-E63 PolarHBondContact O-N 3.46Å; E63-S65 VanDerWaalsContact C-N 3.3Å; E63-S65 PolarHBondContact O-N 3.04Å
64S57.7Low58Low112 Ų112143.1 Ų143.178%0.78377%0.774SS**  trans-64.794.7174.155.20000107.8S62 M66S62-S64 PolarHBondContact O-N 3.3Å; S64-M66 PolarHBondContact O-N 2.98Å
65S62.7Low58.1Low103 Ų103141 Ų14172%0.7278%0.776SS**  trans-69.695.4169.6-176.80000107.4E63 E67E63-S65 VanDerWaalsContact C-N 3.3Å; E63-S65 PolarHBondContact O-N 3.04Å; S65-E67 VanDerWaalsContact C-N 3.33Å; S65-E67 PolarHBondContact O-N 3.36Å; S65-E67 VanDerWaalsContact O-N 3.16Å
66M67.8Low57.8Low169 Ų169140.9 Ų140.983%0.83378%0.775SS**  trans-7395.2162.7-77-83.2-146.100105.9S64 E68S64-M66 PolarHBondContact O-N 2.98Å; M66-E68 PolarHBondContact O-N 3.37Å; M66-E68 VanDerWaalsContact O-N 3.07Å
67E65.3Low57.7Low165 Ų165138.7 Ų138.777%0.77177%0.773SS**  trans-60.8110.6165.4-156.596.417700106.4S65 L69S65-E67 VanDerWaalsContact C-N 3.33Å; S65-E67 PolarHBondContact O-N 3.36Å; S65-E67 VanDerWaalsContact O-N 3.16Å; E67-L69 PolarHBondContact O-N 3.34Å
68E68Low57.5Low174 Ų174138.8 Ų138.881%0.81377%0.771SS**  trans-63.2100.4179.9-56.8-177.7156.600107.6M66 N70M66-E68 PolarHBondContact O-N 3.37Å; M66-E68 VanDerWaalsContact O-N 3.07Å; E68-N70 PolarHBondContact O-N 3.29Å
69L67.7Low57.1Low164 Ų164142.2 Ų142.286%0.85978%0.782SS**  trans-56.7118171.4-67.3174.3000106.6E67 G71E67-L69 PolarHBondContact O-N 3.34Å; L69-G71 PolarHBondContact O-N 3.17Å
70N62.1Low57.1Low175 Ų175139.5 Ų139.594%0.93678%0.782SS**  trans-61.568.1170-74.1-53.9000109.7E68 I72E68-N70 PolarHBondContact O-N 3.29Å; N70-I72 PolarHBondContact O-N 3.34Å
71G58.8Low56.5Low53 Ų53142.3 Ų142.355%0.54679%0.788SS.*  trans-82.6110.2170.500000107.2L69 D73L69-G71 PolarHBondContact O-N 3.17Å; G71-D73 PolarHBondContact O-N 3.23Å; G71-D73 VanDerWaalsContact O-N 3.09Å
72I53.4Low55.9Low155 Ų155140.4 Ų140.480%0.79579%0.785SS**  trans-43.7115.9172.9-170.478.2000110.2N70 T74N70-I72 PolarHBondContact O-N 3.34Å; I72-T74 PolarHBondContact O-N 3.41Å
73D58.1Low55.2Low157 Ų157141 Ų14184%0.8479%0.785SS**  trans-63.592.5175.2-69.2-53.5000109.5G71 S75G71-D73 PolarHBondContact O-N 3.23Å; G71-D73 VanDerWaalsContact O-N 3.09Å; D73-S75 VanDerWaalsContact C-N 3.27Å; D73-S75 PolarHBondContact O-N 3.16Å
74T62.4Low54.7Low127 Ų127140.3 Ų140.378%0.77978%0.781SS**  trans-78.290.3162.555.90000107.6I72 S76I72-T74 PolarHBondContact O-N 3.41Å; T74-S76 PolarHBondContact O-N 3.19Å
75S46.9Very low53.7Low104 Ų104140.9 Ų140.973%0.72778%0.775SS**  trans-42127.8171.955.40000113.3D73D73-S75 VanDerWaalsContact C-N 3.27Å; D73-S75 PolarHBondContact O-N 3.16Å
76S44Very low53Low106 Ų106144 Ų14474%0.74178%0.783SS**  trans-12.5131.5156.259.20000117.8T74T74-S76 PolarHBondContact O-N 3.19Å
77V48.5Very low52Low126 Ų126141.3 Ų141.376%0.76478%0.776SS**  trans-155.2125.1141.11730000110.4
78K45.9Very low50.7Low185 Ų185142.7 Ų142.780%0.80478%0.78SS**  trans86.286.8159.6-74.3162.5-168.1-179.40118.6S80K78-S80 PolarHBondContact O-N 2.95Å
79D42.4Very low49.5Very low162 Ų162141 Ų14187%0.86678%0.775SS**  trans-41.5114.8139.8-52.8-65.1000111.2
80S47.1Very low49.1Very low115 Ų115138.6 Ų138.680%0.80477%0.769SS**  trans-115.378.3155.267.10000107.7K78 L82K78-S80 PolarHBondContact O-N 2.95Å; S80-L82 PolarHBondContact O-N 3.44Å; S80-L82 VanDerWaalsContact O-N 3.09Å
81E45.1Very low48.1Very low170 Ų170138.1 Ų138.179%0.79476%0.761SS**  trans-65.595.2164.8-169.5176.5-171.500108T83E81-T83 HydrophobicContact CG-CG2 4.49Å
82L47Very low47.4Very low140 Ų140145.2 Ų145.273%0.73378%0.777SS**  trans-122.581.3161.5-166.776.4000108.2S80 H84S80-L82 PolarHBondContact O-N 3.44Å; S80-L82 VanDerWaalsContact O-N 3.09Å; L82-H84 VanDerWaalsContact C-N 3.32Å; L82-H84 PolarHBondContact O-N 2.89Å
83T45.6Very low47.1Very low117 Ų117147.6 Ų147.672%0.71878%0.781SS**  trans-58.688.1164.538.40000109.9E81 D85E81-T83 HydrophobicContact CG-CG2 4.49Å; T83-D85 VanDerWaalsContact C-N 3.31Å; T83-D85 PolarHBondContact O-N 3.44Å; T83-D85 VanDerWaalsContact O-N 3.11Å
84H52.4Low46.6Very low167 Ų167145.6 Ų145.677%0.77378%0.775SS**  trans-81.788.9162.8-108.9-67.1000109.4L82 L86L82-H84 VanDerWaalsContact C-N 3.32Å; L82-H84 PolarHBondContact O-N 2.89Å; H84-L86 PolarHBondContact O-N 2.74Å
85D37.6Very low45.7Very low124 Ų124149.6 Ų149.666%0.66378%0.782SS**  trans-23.3113.1167.9-159.89.2000115.5T83 T87T83-D85 VanDerWaalsContact C-N 3.31Å; T83-D85 PolarHBondContact O-N 3.44Å; T83-D85 VanDerWaalsContact O-N 3.11Å; D85-T87 VanDerWaalsContact C-N 3.27Å; D85-T87 PolarHBondContact O-N 3.42Å
86L46.7Very low45.5Very low170 Ų170151 Ų15189%0.8979%0.785SS**  trans-6482.6166.1-85.1101.7000110.1H84 K88H84-L86 PolarHBondContact O-N 2.74Å; L86-K88 PolarHBondContact O-N 2.91Å
87T48.1Very low45.2Very low112 Ų112152.1 Ų152.169%0.68778%0.783SS**  trans-85.990172.635.90000111.3D85D85-T87 VanDerWaalsContact C-N 3.27Å; D85-T87 PolarHBondContact O-N 3.42Å
88K36.5Very low45.2Very low193 Ų193154.5 Ų154.584%0.83978%0.783SS**  trans42105140.2-70.4173.7178.8175.30118.4L86 P90L86-K88 PolarHBondContact O-N 2.91Å; K88-P90 WeakPolarHBondContact O-CD 3.34Å
89I44.3Very low44.8Very low138 Ų138154.9 Ų154.971%0.70879%0.788SS**  trans-63.1124.8157.7-59.2162.5000110.3
90P58.1Low44.7Very low115 Ų115152.3 Ų152.375%0.74778%0.783SS**  trans-92.4109.7160.628.9-21000110.3K88 K92K88-P90 WeakPolarHBondContact O-CD 3.34Å; P90-K92 PolarHBondContact O-N 3.2Å; P90-K92 VanDerWaalsContact O-N 3.07Å
91H42.5Very low44.5Very low164 Ų164154.3 Ų154.376%0.75978%0.784SS**  trans-64.8100.1172.2-54.4-88.5000110.6
92K43.8Very low44.2Very low202 Ų202153.7 Ų153.788%0.87879%0.787SS**  trans-85.2111.9166.1-94.3-168175179.90109.9P90P90-K92 PolarHBondContact O-N 3.2Å; P90-K92 VanDerWaalsContact O-N 3.07Å
93K45.4Very low43.7Very low205 Ų205153.3 Ų153.389%0.89179%0.785SS**  trans-75.1123.6166.2-61.4-158.4176.3-1720109.2
94T48Very low43.6Very low116 Ų116155.8 Ų155.871%0.71279%0.788SS**  trans-125.8109.8159.9-61.30000107.8V96T94-V96 HydrophobicContact CG2-CG2 3.85Å
95K43.7Very low43.2Very low211 Ų211155 Ų15592%0.91779%0.789SS**  trans-71.6116159.1-85.9178.2168.7-175.80106.6
96V44Very low43.3Very low132 Ų132155.9 Ų155.980%0.880%0.803SS**  trans-119.8116.5156.1165.80000106.8T94T94-V96 HydrophobicContact CG2-CG2 3.85Å
97D36Very low43.2Very low131 Ų131152.2 Ų152.270%0.70179%0.792SS**  trans-80.1156.1176.3173.437.1000109.5
98K48.2Very low42.6Very low175 Ų175155 Ų15576%0.76180%0.802SS**  trans90.298170.6-62.4177.8-179.7167.90118.7S100K98-S100 PolarHBondContact O-N 3.45Å
99E38.8Very low42.7Very low194 Ų194153.9 Ų153.991%0.90780%0.8SS**  trans-39.5120.1139-68.2164.9147.100110.7
100S40.1Very low42.3Very low108 Ų108154.4 Ų154.476%0.75580%0.799SS**  trans-129100.7153.168.90000107K98 D102K98-S100 PolarHBondContact O-N 3.45Å; S100-D102 PolarHBondContact O-N 2.86Å
101D42.4Very low41.4Very low156 Ų156157.2 Ų157.283%0.83480%0.8SS**  trans-63.6106.4160.6-73.6-40000107.7
102D39.7Very low41.1Very low158 Ų158156.3 Ų156.385%0.84580%0.801SS**  trans-139.6101.9154.5-107.2-35.4000107.2S100S100-D102 PolarHBondContact O-N 2.86Å
103D36.9Very low41.1Very low132 Ų132155.4 Ų155.471%0.70680%0.8SS**  trans-54.5151.6165.8-79.2-55.7000110.9
104H42.4Very low41.1Very low169 Ų169150.3 Ų150.378%0.78279%0.785SS**  trans106.8141.6158.2-50.3-51.9000117.5
105L43.3Very low40.6Very low150 Ų150152.9 Ų152.979%0.78579%0.789SS**  trans93.983.2162.6-46.6-178.6000114.2S107L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3.04Å
106C40.5Very low40.4Very low142 Ų142149.7 Ų149.796%0.95978%0.781SS**  trans-35.7101141.2-73.60000109.6
107S44.4Very low40.3Very low94 Ų94148.9 Ų148.966%0.65778%0.779SS**  trans-115.1102.7163.6-69.70000106L105 H109L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3.04Å; S107-H109 VanDerWaalsContact C-N 3.31Å; S107-H109 PolarHBondContact O-N 3.42Å
108D36.5Very low40.6Very low169 Ų169151.1 Ų151.190%0.90478%0.783SS**  trans-49.597.5159-88.7-39.7000108.8
109H37.1Very low40.4Very low170 Ų170151.4 Ų151.479%0.78779%0.786SS**  trans-133.785162-105.6-64.2000108.4S107S107-H109 VanDerWaalsContact C-N 3.31Å; S107-H109 PolarHBondContact O-N 3.42Å
110E36.4Very low40.7Very low149 Ų149148.4 Ų148.470%0.69678%0.777SS**  15.3124124.9-134-178.1123.500115.5
111K39.3Very low41Very low174 Ų174150.3 Ų150.376%0.75778%0.778SS**  trans81.676158.2-44.9-174.8-168.1172.10116.7
112N37Very low41.2Very low146 Ų146148.4 Ų148.478%0.78177%0.773SS**  trans-129.587.2132.4-156.121.9000109.1V114N112-V114 PolarHBondContact O-N 3.29Å
113E42.6Very low41.5Very low183 Ų183145.4 Ų145.486%0.85576%0.76SS**  trans-64.979.7161.7-169.5179.3-170.100107.2
114V45.6Very low42.3Very low97 Ų97144.4 Ų144.459%0.58876%0.758SS**  trans-103.786.7158.7175.70000105.4N112 L116N112-V114 PolarHBondContact O-N 3.29Å; V114-L116 PolarHBondContact O-N 3.1Å
115E37.7Very low42.5Very low170 Ų170142 Ų14279%0.79475%0.751SS**  trans-39.185159.6-167.3176.3-167.200110P117E115-P117 WeakPolarHBondContact O-CD 3.48Å
116L39.2Very low42.8Very low144 Ų144140.8 Ų140.875%0.75474%0.741SS**  trans-68.5119156.9-85.2138.6000104.9V114 K118V114-L116 PolarHBondContact O-N 3.1Å; L116-K118 PolarHBondContact O-N 2.96Å
117P41.8Very low43.1Very low116 Ų116138.7 Ų138.775%0.75372%0.724SS**  trans-62.199.8167.4-5.921000104.4E115 E119E115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-E119 PolarHBondContact O-N 2.99Å
118K42.6Very low43.5Very low178 Ų178140.6 Ų140.677%0.77472%0.723SS**  trans-54.4111.7149.6-70.7-170.4177.1-174.30102.5L116 N120L116-K118 PolarHBondContact O-N 2.96Å; K118-N120 PolarHBondContact O-N 3.28Å
119E44.2Very low44.2Very low180 Ų180138.6 Ų138.684%0.84171%0.712SS**  trans-45.393.1149.7-84.8175.1129.400104.1P117 D121P117-E119 PolarHBondContact O-N 2.99Å; E119-D121 PolarHBondContact O-N 2.99Å
120N44.9Very low45.1Very low132 Ų132135.4 Ų135.471%0.70671%0.709SS**  trans-61.387.8147.5-65.3-66.2000100.7K118 T122K118-N120 PolarHBondContact O-N 3.28Å; N120-T122 VanDerWaalsContact O-CA 3.23Å; N120-T122 WeakPolarHBondContact O-CA 3.35Å; N120-T122 PolarHBondContact O-N 2.85Å
121D46Very low46Very low147 Ų147134.3 Ų134.379%0.78671%0.708SS**  trans-31104.6151.1-112.4-32.4000103E119 V123E119-D121 PolarHBondContact O-N 2.99Å; D121-V123 VanDerWaalsContact C-N 3.26Å; D121-V123 PolarHBondContact O-N 3.05Å
122T47Very low46.8Very low117 Ų117132 Ų13272%0.71871%0.709SS**  trans-45106-160.7-8.80000103.8N120 V124N120-T122 VanDerWaalsContact O-CA 3.23Å; N120-T122 WeakPolarHBondContact O-CA 3.35Å; N120-T122 PolarHBondContact O-N 2.85Å; T122-V124 PolarHBondContact O-N 3.08Å
123V46.3Very low48Very low95 Ų95128.9 Ų128.958%0.57670%0.695SS**  trans-60.691.6153177.6000097.8D121 N125D121-V123 VanDerWaalsContact C-N 3.26Å; D121-V123 PolarHBondContact O-N 3.05Å; V123-N125 HydrophobicContact CG1-CB 4.46Å; V123-N125 VanDerWaalsContact CG1-CG 3.48Å; V123-N125 VanDerWaalsContact CG1-OD1 3.26Å; V123-N125 WeakPolarHBondContact CG1-OD1 3.31Å; V123-N125 PolarHBondContact O-N 3.11Å; V123-N125 PolarHBondContact O-ND2 3.43Å
124V52.6Low48.7Very low110 Ų110125.7 Ų125.767%0.66769%0.693SS**  trans-59.376.6152.1178.8000099.9T122 Q126T122-V124 PolarHBondContact O-N 3.08Å; V124-Q126 HydrophobicContact CG1-CB 3.9Å; V124-Q126 PolarHBondContact O-N 3.05Å
125N47.3Very low49.8Very low120 Ų120125.9 Ų125.964%0.64270%0.695SS**  trans-53.172.1131.6-58.7-60.3000102.2V123 T127V123-N125 HydrophobicContact CG1-CB 4.46Å; V123-N125 VanDerWaalsContact CG1-CG 3.48Å; V123-N125 VanDerWaalsContact CG1-OD1 3.26Å; V123-N125 WeakPolarHBondContact CG1-OD1 3.31Å; V123-N125 PolarHBondContact O-N 3.11Å; V123-N125 PolarHBondContact O-ND2 3.43Å; N125-T127 PolarHBondContact O-N 3.25Å
126Q50.1Low51.9Low123 Ų123125.8 Ų125.858%0.57570%0.699SS**  -56.577124.2-156.7174.546.300102.7V124 Q128V124-Q126 HydrophobicContact CG1-CB 3.9Å; V124-Q126 PolarHBondContact O-N 3.05Å; Q126-Q128 HydrophobicContact CG-CB 3.89Å; Q126-Q128 HydrophobicContact CG-CG 3.94Å; Q126-Q128 PolarHBondContact O-N 3.4Å
127T46.6Very low54.1Low98 Ų98127 Ų12760%0.60170%0.699SS**  trans-47.470.8130.7-44.50000103.6N125 D129N125-T127 PolarHBondContact O-N 3.25Å; T127-D129 PolarHBondContact O-N 2.78Å
128Q53.5Low56.3Low134 Ų134129.9 Ų129.963%0.62670%0.702SS**  trans-69.688.5156.2-132.2-175.9-24.20099.3Q126 S130Q126-Q128 HydrophobicContact CG-CB 3.89Å; Q126-Q128 HydrophobicContact CG-CG 3.94Å; Q126-Q128 PolarHBondContact O-N 3.4Å; Q128-S130 VanDerWaalsContact C-N 3.3Å; Q128-S130 PolarHBondContact O-N 3.08Å
129D49.9Very low58.4Low128 Ų128127.3 Ų127.368%0.68470%0.701SS**  trans-32.8111.5158.5-68.4-49.6000104.2T127 N131T127-D129 PolarHBondContact O-N 2.78Å; D129-N131 PolarHBondContact O-N 3.09Å
130S56.5Low60.5Low102 Ų102123 Ų12371%0.71369%0.687SS**  trans-65.171.6177.230.70000105.3Q128 T132Q128-S130 VanDerWaalsContact C-N 3.3Å; Q128-S130 PolarHBondContact O-N 3.08Å; S130-T132 PolarHBondContact O-N 3.09Å; S130-T132 PolarHBondContact O-OG1 3.01Å
131N54.9Low62.8Low127 Ų127123.3 Ų123.368%0.67968%0.684SS**  trans-69.979.1162.5-1552.7000102.8D129 T133D129-N131 PolarHBondContact O-N 3.09Å; N131-T133 PolarHBondContact O-N 3.26Å; N131-T133 PolarHBondContact O-OG1 3.02Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.49Å
132T57.4Low64.8Low125 Ų125124.3 Ų124.377%0.76768%0.684SS**  trans-66.634.9178.937.10000110.2S130 S134S130-T132 PolarHBondContact O-N 3.09Å; S130-T132 PolarHBondContact O-OG1 3.01Å; T132-S134 PolarHBondContact O-N 2.78Å
133T60.5Low66.9Low80 Ų80123.4 Ų123.449%0.49168%0.682SS.*  trans-71.880.8170.151.60000107.9N131 T135N131-T133 PolarHBondContact O-N 3.26Å; N131-T133 PolarHBondContact O-OG1 3.02Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.49Å; T133-T135 PolarHBondContact O-N 2.66Å; T133-T135 PolarHBondContact O-OG1 2.76Å
134S58.8Low69.1Low117 Ų117122.4 Ų122.482%0.81868%0.68SS**  trans52.132131.4680000117.3T132T132-S134 PolarHBondContact O-N 2.78Å
135T67.5Low71Confident101 Ų101121.4 Ų121.462%0.6267%0.674SS**  trans-101.9117.4175.4-390000107.2T133 F137T133-T135 PolarHBondContact O-N 2.66Å; T133-T135 PolarHBondContact O-OG1 2.76Å; T135-F137 HydrophobicContact CG2-CD2 3.52Å; T135-F137 HydrophobicContact CG2-CE2 4.18Å; T135-F137 HydrophobicContact CG2-CG 4.49Å; T135-F137 PolarHBondContact O-N 2.74Å
136D82.1Confident73.3Confident168 Ų168118.5 Ų118.590%0.89866%0.661SS**SBendtrans-65.920.3-177.6-127.97.7000113.2
137F86.3Confident75.4Confident168 Ų168116 Ų11674%0.73766%0.656SS**SBendtrans-115.1131.6-178.6-61.4-66.4000109.9T135 V139T135-F137 HydrophobicContact CG2-CD2 3.52Å; T135-F137 HydrophobicContact CG2-CE2 4.18Å; T135-F137 HydrophobicContact CG2-CG 4.49Å; T135-F137 PolarHBondContact O-N 2.74Å; F137-V139 PolarHBondContact O-N 2.74Å
138E87.5Confident77.6Confident178 Ų178116.6 Ų116.683%0.83266%0.661SS**  trans-66.8121.6170.5-175.4173.8178.500109.4V140E138-V140 PolarHBondContact O-N 3.39Å
139V87.6Confident79.5Confident124 Ų124115.2 Ų115.275%0.75266%0.658SS**  trans-79.4112.5171.7179.60000107.5F137F137-V139 PolarHBondContact O-N 2.74Å
140V88.3Confident81.7Confident90 Ų90110.2 Ų110.255%0.54563%0.633SS.*  trans-82.6125.7175.1178.50000108.9E138 S144 V145E138-V140 PolarHBondContact O-N 3.39Å; V140-S144 WeakPolarHBondContact CG1-OG 3.48Å; V140-V145 HydrophobicContact CG1-CG2 4.37Å
141E91.8Very high83.5Confident137 Ų137109.3 Ų109.364%0.6463%0.632SS**  trans-68139.7177-62.1-176.8-178.400111S143 S144E141-S143 VanDerWaalsContact CB-OG 3.31Å; E141-S143 WeakPolarHBondContact CB-OG 3.44Å; E141-S143 PolarHBondContact O-N 2.89Å; E141-S143 PolarHBondContact OE2-OG 2.97Å; E141-S143 VanDerWaalsContact OE2-OG 3.07Å; E141-S144 WeakPolarHBondContact O-CB 3.5Å; E141-S144 PolarHBondContact O-N 3.37Å; E141-S144 PolarHBondContact O-OG 2.88Å
142H88.4Confident85.4Confident169 Ų169110.1 Ų110.178%0.78263%0.631SS**G310 helixtrans-59.4-29.4176.2-67.3-63.3000113.2S144 V145H142-S144 PolarHBondContact O-N 3.08Å; H142-V145 PolarHBondContact O-N 3.33Å
143S91.7Very high87.1Confident97 Ų97106.1 Ų106.168%0.67861%0.607SS**G310 helixtrans-63.8-22.6174.652.90000113.6E141E141-S143 VanDerWaalsContact CB-OG 3.31Å; E141-S143 WeakPolarHBondContact CB-OG 3.44Å; E141-S143 PolarHBondContact O-N 2.89Å; E141-S143 PolarHBondContact OE2-OG 2.97Å; E141-S143 VanDerWaalsContact OE2-OG 3.07Å
144S92.4Very high88.7Confident75 Ų75108.1 Ų108.152%0.52461%0.609SS.*G310 helixtrans-84.1-16.5-179.273.70000113.5V140 E141 H142V140-S144 WeakPolarHBondContact CG1-OG 3.48Å; E141-S144 WeakPolarHBondContact O-CB 3.5Å; E141-S144 PolarHBondContact O-N 3.37Å; E141-S144 PolarHBondContact O-OG 2.88Å; H142-S144 PolarHBondContact O-N 3.08Å
145V92.5Very high90.1Very high89 Ų89105.5 Ų105.554%0.53959%0.594SS.*SBendtrans-92.9127.4176.6-178.50000108.4V140 H142V140-V145 HydrophobicContact CG1-CG2 4.37Å; H142-V145 PolarHBondContact O-N 3.33Å
146P94.1Very high91.2Very high58 Ų58103.2 Ų103.238%0.37759%0.585SS.*PPolyproline II helixtrans-54.2136.2177.6-26.634.5000111.4V153P146-V153 HydrophobicContact CB-CG2 4.13Å
147P95.1Very high91.5Very high72 Ų72100 Ų10047%0.46857%0.567SS.*PPolyproline II helixtrans-66.9152179.929.1-34.4000110.2D149 S150P147-D149 WeakPolarHBondContact CB-OD1 3.22Å; P147-D149 PolarHBondContact O-N 3.1Å; P147-D149 VanDerWaalsContact O-N 3.12Å; P147-S150 WeakPolarHBondContact O-CB 3.4Å; P147-S150 PolarHBondContact O-N 2.95Å; P147-S150 PolarHBondContact O-OG 3.3Å
148P92.4Very high91.5Very high109 Ų10996.5 Ų96.571%0.70856%0.563SS**THydrogen-bonded Turntrans-63.4-22.6-172.125.3-35.3000113.5V153P148-V153 WeakPolarHBondContact O-CG1 3.49Å
149D94.5Very high91.4Very high106 Ų10690.3 Ų90.357%0.56754%0.543SS*.THydrogen-bonded Turntrans-93.30.3177.966.5-26.7000113.6P147 K154P147-D149 WeakPolarHBondContact CB-OD1 3.22Å; P147-D149 PolarHBondContact O-N 3.1Å; P147-D149 VanDerWaalsContact O-N 3.12Å; D149-K154 VanDerWaalsContact O-CE 3.29Å; D149-K154 WeakPolarHBondContact O-CE 3.37Å; D149-K154 PolarHBondContact O-NZ 2.59Å
150S95.7Very high91.2Very high23 Ų2388.3 Ų88.316%0.16153%0.525CS..SBendtrans-59.5150.9176.3670000111.9P147 E152 V153 K154P147-S150 WeakPolarHBondContact O-CB 3.4Å; P147-S150 PolarHBondContact O-N 2.95Å; P147-S150 PolarHBondContact O-OG 3.3Å; S150-E152 PolarHBondContact O-N 3.2Å; S150-V153 PolarHBondContact O-N 3.04Å; S150-V153 WeakPolarHBondContact OG-CB 3.38Å; S150-V153 VanDerWaalsContact OG-CG2 3.23Å; S150-V153 WeakPolarHBondContact OG-CG2 3.2Å; S150-V153 PolarHBondContact OG-N 3.38Å; S150-K154 WeakPolarHBondContact O-CG 3.37Å; S150-K154 PolarHBondContact O-N 2.88Å
151A95.1Very high90.9Very high83 Ų8384.9 Ų84.969%0.68651%0.508SS*.Hα-helixtrans-60.8-34.2176.800000112A155A151-A155 VanDerWaalsContact O-CB 3.26Å; A151-A155 WeakPolarHBondContact O-CB 3.27Å; A151-A155 PolarHBondContact O-N 2.78Å
152E93.7Very high90.5Very high143 Ų14388 Ų8867%0.66852%0.523SS*.Hα-helixtrans-64.8-49177.6-176.4176.2-177.700111.7S150 K154 A155 A156S150-E152 PolarHBondContact O-N 3.2Å; E152-K154 VanDerWaalsContact C-N 3.34Å; E152-K154 PolarHBondContact O-N 3.1Å; E152-A155 PolarHBondContact O-N 2.84Å; E152-A156 WeakPolarHBondContact O-CB 3.38Å; E152-A156 PolarHBondContact O-N 2.98Å
153V94.2Very high90.4Very high41 Ų4185.5 Ų85.525%0.24852%0.515CS..Hα-helixtrans-63-42.9177.9173.10000110.7P146 P148 S150 A155 A156 I157P146-V153 HydrophobicContact CB-CG2 4.13Å; P148-V153 WeakPolarHBondContact O-CG1 3.49Å; S150-V153 PolarHBondContact O-N 3.04Å; S150-V153 WeakPolarHBondContact OG-CB 3.38Å; S150-V153 VanDerWaalsContact OG-CG2 3.23Å; S150-V153 WeakPolarHBondContact OG-CG2 3.2Å; S150-V153 PolarHBondContact OG-N 3.38Å; V153-A155 VanDerWaalsContact C-N 3.35Å; V153-A155 PolarHBondContact O-N 3.31Å; V153-A156 PolarHBondContact O-N 3.24Å; V153-I157 HydrophobicContact CG1-CD1 3.85Å; V153-I157 HydrophobicContact CG1-CG1 4.49Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 3.27Å
154K92.9Very high90.1Very high123 Ų12382.7 Ų82.754%0.53550%0.502SS..Hα-helixtrans-61.7-41175.4-74.4171174.8155.60112.6D149 S150 E152 I157 S158D149-K154 VanDerWaalsContact O-CE 3.29Å; D149-K154 WeakPolarHBondContact O-CE 3.37Å; D149-K154 PolarHBondContact O-NZ 2.59Å; S150-K154 WeakPolarHBondContact O-CG 3.37Å; S150-K154 PolarHBondContact O-N 2.88Å; E152-K154 VanDerWaalsContact C-N 3.34Å; E152-K154 PolarHBondContact O-N 3.1Å; K154-I157 PolarHBondContact O-N 2.88Å; K154-S158 WeakPolarHBondContact O-CB 3.49Å; K154-S158 PolarHBondContact O-N 2.9Å
155A89.1Confident89.9Confident61 Ų6184 Ų8450%0.50450%0.499SS..Hα-helixtrans-66.5-40.9176.500000111.6A151 E152 V153 S158 A159A151-A155 VanDerWaalsContact O-CB 3.26Å; A151-A155 WeakPolarHBondContact O-CB 3.27Å; A151-A155 PolarHBondContact O-N 2.78Å; E152-A155 PolarHBondContact O-N 2.84Å; V153-A155 VanDerWaalsContact C-N 3.35Å; V153-A155 PolarHBondContact O-N 3.31Å; A155-S158 PolarHBondContact O-N 3.47Å; A155-A159 PolarHBondContact O-N 3.11Å
156A88.8Confident89.4Confident53 Ų5384.9 Ų84.944%0.43850%0.5SS..Hα-helixtrans-62.4-43.617600000111.9E152 V153 A159 Q160E152-A156 WeakPolarHBondContact O-CB 3.38Å; E152-A156 PolarHBondContact O-N 2.98Å; V153-A156 PolarHBondContact O-N 3.24Å; A156-A159 PolarHBondContact O-N 2.77Å; A156-Q160 PolarHBondContact O-N 3Å
157I88.5Confident88.7Confident102 Ų10286.5 Ų86.552%0.52351%0.505SS..Hα-helixtrans-64.8-42.8174.6-65.9165.9000110.5V153 K154 A159 Q160V153-I157 HydrophobicContact CG1-CD1 3.85Å; V153-I157 HydrophobicContact CG1-CG1 4.49Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 3.27Å; K154-I157 PolarHBondContact O-N 2.88Å; I157-A159 PolarHBondContact O-N 3.29Å; I157-Q160 WeakPolarHBondContact O-CB 3.35Å; I157-Q160 PolarHBondContact O-N 3.43Å
158S86.3Confident88.1Confident93 Ų9388.6 Ų88.665%0.6552%0.516SS*.Hα-helixtrans-66.4-21.7178.7-173.60000113.6K154 A155 Q160K154-S158 WeakPolarHBondContact O-CB 3.49Å; K154-S158 PolarHBondContact O-N 2.9Å; A155-S158 PolarHBondContact O-N 3.47Å; S158-Q160 VanDerWaalsContact C-N 3.28Å
159A85.7Confident87.5Confident49 Ų4987 Ų8741%0.40552%0.52SS..THydrogen-bonded Turntrans-81.2-10.7173.500000112.7A155 A156 I157 L167A155-A159 PolarHBondContact O-N 3.11Å; A156-A159 PolarHBondContact O-N 2.77Å; I157-A159 PolarHBondContact O-N 3.29Å; A159-L167 WeakPolarHBondContact O-CB 3.5Å; A159-L167 WeakPolarHBondContact O-CG 3.37Å; A159-L167 PolarHBondContact O-N 2.9Å
160Q84.1Confident86.8Confident81 Ų8189.3 Ų89.338%0.37953%0.525SS..BIsolated β-bridgetrans-90.6144.4172.8-65.1169.4-8.600109.8A156 I157 S158 Q165 L166A156-Q160 PolarHBondContact O-N 3Å; I157-Q160 WeakPolarHBondContact O-CB 3.35Å; I157-Q160 PolarHBondContact O-N 3.43Å; S158-Q160 VanDerWaalsContact C-N 3.28Å; Q160-Q165 CarbonylContact C-O 3.46Å; Q160-Q165 VanDerWaalsContact CA-O 3.27Å; Q160-Q165 WeakPolarHBondContact CA-O 3.45Å; Q160-L166 HydrophobicContact CG-CD2 4.02Å
161G82Confident86.1Confident18 Ų1894 Ų9419%0.18655%0.553CS.*  trans-70.6173.9167.700000111.3D163 G164 Q165G161-D163 PolarHBondContact O-N 3.14Å; G161-D163 VanDerWaalsContact O-N 3.1Å; G161-G164 WeakPolarHBondContact O-CA 3.31Å; G161-G164 PolarHBondContact O-N 3.47Å; G161-Q165 PolarHBondContact N-O 2.68Å
162E84.1Confident85.4Confident203 Ų20399 Ų9995%0.94956%0.562SS**THydrogen-bonded Turntrans-55-27.5175.8-179.262.1-157.300112.8G164E162-G164 VanDerWaalsContact C-N 3.3Å
163D84.8Confident85Confident117 Ų11795.8 Ų95.863%0.62655%0.552SS**THydrogen-bonded Turntrans-85.32.5177.465.7-14.2000113.9G161 Q165G161-D163 PolarHBondContact O-N 3.14Å; G161-D163 VanDerWaalsContact O-N 3.1Å; D163-Q165 PolarHBondContact O-N 3.29Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.46Å; D163-Q165 PolarHBondContact OD1-N 3.01Å; D163-Q165 WeakPolarHBondContact OD2-CG 3.26Å
164G87.2Confident84.6Confident38 Ų3898.1 Ų98.139%0.39256%0.563SS.*SBendtrans76.90.9-175.700000114.4G161 E162G161-G164 WeakPolarHBondContact O-CA 3.31Å; G161-G164 PolarHBondContact O-N 3.47Å; E162-G164 VanDerWaalsContact C-N 3.3Å
165Q86.5Confident84.1Confident101 Ų101101.3 Ų101.347%0.47258%0.577SS.*  trans-79.3145.5177.6-63.5-63.9-22.700110.7Q160 G161 D163 L167Q160-Q165 CarbonylContact C-O 3.46Å; Q160-Q165 VanDerWaalsContact CA-O 3.27Å; Q160-Q165 WeakPolarHBondContact CA-O 3.45Å; G161-Q165 PolarHBondContact N-O 2.68Å; D163-Q165 PolarHBondContact O-N 3.29Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.46Å; D163-Q165 PolarHBondContact OD1-N 3.01Å; D163-Q165 WeakPolarHBondContact OD2-CG 3.26Å; Q165-L167 PolarHBondContact O-N 2.69Å
166L83.8Confident84Confident109 Ų109105.5 Ų105.557%0.57159%0.586SS**BIsolated β-bridgetrans-62.9135174.8-67.7176.2000110.5Q160 V168Q160-L166 HydrophobicContact CG-CD2 4.02Å; L166-V168 HydrophobicContact CB-CG2 3.79Å; L166-V168 PolarHBondContact O-N 2.88Å
167L78.6Confident83.9Confident91 Ų91108.4 Ų108.448%0.47659%0.594SS.*  trans-72.273.5173.6-63.2176000110.3A159 Q165 F170A159-L167 WeakPolarHBondContact O-CB 3.5Å; A159-L167 WeakPolarHBondContact O-CG 3.37Å; A159-L167 PolarHBondContact O-N 2.9Å; Q165-L167 PolarHBondContact O-N 2.69Å; L167-F170 VanDerWaalsContact C-CD2 3.42Å; L167-F170 HydrophobicContact CB-CD2 3.73Å; L167-F170 HydrophobicContact CB-CE2 4Å; L167-F170 HydrophobicContact CD2-CD2 4.05Å; L167-F170 HydrophobicContact CD2-CE2 3.68Å; L167-F170 HydrophobicContact CD2-CZ 3.96Å; L167-F170 HydrophobicContact CG-CE2 4.47Å
168V81.8Confident83.6Confident116 Ų116108.2 Ų108.270%0.70359%0.593SS**  trans-93.9130.9178.2-175.60000110.4L166 F170L166-V168 HydrophobicContact CB-CG2 3.79Å; L166-V168 PolarHBondContact O-N 2.88Å; V168-F170 VanDerWaalsContact C-N 3.35Å
169G79.4Confident83.4Confident76 Ų76107.1 Ų107.178%0.78458%0.584SS**SBendtrans82.27.617300000115.2
170F79.7Confident83.2Confident155 Ų155107.2 Ų107.268%0.6859%0.585SS**PPolyproline II helixtrans-76.1134.7173-63.6-92.3000110.3L167 V168L167-F170 VanDerWaalsContact C-CD2 3.42Å; L167-F170 HydrophobicContact CB-CD2 3.73Å; L167-F170 HydrophobicContact CB-CE2 4Å; L167-F170 HydrophobicContact CD2-CD2 4.05Å; L167-F170 HydrophobicContact CD2-CE2 3.68Å; L167-F170 HydrophobicContact CD2-CZ 3.96Å; L167-F170 HydrophobicContact CG-CE2 4.47Å; V168-F170 VanDerWaalsContact C-N 3.35Å
171V82.9Confident82.6Confident121 Ų121109.1 Ų109.173%0.73360%0.604SS**PPolyproline II helixtrans-87.3122.6172.1178.60000107.4V173V171-V173 HydrophobicContact CG1-CG1 4.29Å; V171-V173 PolarHBondContact O-N 3.1Å
172Q79.7Confident82.2Confident189 Ų189114.6 Ų114.688%0.88363%0.629SS**PPolyproline II helixtrans-65.5118.2170.2-175.31658.500108.7
173V84.3Confident81.8Confident75 Ų75106.1 Ų106.146%0.45559%0.593SS.*  trans-113.2147.4176.7-65.90000109.2V171 L178V171-V173 HydrophobicContact CG1-CG1 4.29Å; V171-V173 PolarHBondContact O-N 3.1Å; V173-L178 HydrophobicContact CG2-CD1 4.09Å; V173-L178 HydrophobicContact CG2-CD2 3.64Å; V173-L178 HydrophobicContact CG2-CG 3.84Å
174N86.9Confident81.1Confident89 Ų89107 Ų10748%0.47660%0.597SS.*  trans-72.5153.2176.3-54.1-55.4000110.1E176 D177N174-E176 HydrophobicContact CB-CG 4.05Å; N174-E176 WeakPolarHBondContact CB-OE1 3.37Å; N174-E176 WeakPolarHBondContact CB-OE2 3.38Å; N174-E176 PolarHBondContact O-N 2.97Å; N174-D177 PolarHBondContact ND2-OD2 2.88Å; N174-D177 VanDerWaalsContact ND2-OD2 3.14Å; N174-D177 PolarHBondContact O-N 2.81Å; N174-D177 VanDerWaalsContact O-N 3.09Å
175K82.7Confident80.3Confident190 Ų190112 Ų11283%0.82661%0.61SS**G310 helixtrans-65.3-30.3-176.8-68.4-173.8178.4-178.70111.9D177 L178K175-D177 VanDerWaalsContact C-N 3.33Å; K175-L178 PolarHBondContact O-N 3.49Å
176E87.3Confident79.2Confident150 Ų150108.8 Ų108.870%0.70160%0.597SS**G310 helixtrans-73.6-20.8176.161.5-88.9-153.600113.8N174 L178N174-E176 HydrophobicContact CB-CG 4.05Å; N174-E176 WeakPolarHBondContact CB-OE1 3.37Å; N174-E176 WeakPolarHBondContact CB-OE2 3.38Å; N174-E176 PolarHBondContact O-N 2.97Å; E176-L178 VanDerWaalsContact C-N 3.35Å
177D86.2Confident78Confident114 Ų114110.8 Ų110.861%0.6160%0.601SS**G310 helixtrans-84.7-12.8175.4-70-37.2000112N174 K175N174-D177 PolarHBondContact ND2-OD2 2.88Å; N174-D177 VanDerWaalsContact ND2-OD2 3.14Å; N174-D177 PolarHBondContact O-N 2.81Å; N174-D177 VanDerWaalsContact O-N 3.09Å; K175-D177 VanDerWaalsContact C-N 3.33Å
178L82.8Confident77.1Confident97 Ų97113.2 Ų113.251%0.50861%0.61SS.*SBendtrans-84.4140.6176.8-70176.4000111V173 K175 E176 A180V173-L178 HydrophobicContact CG2-CD1 4.09Å; V173-L178 HydrophobicContact CG2-CD2 3.64Å; V173-L178 HydrophobicContact CG2-CG 3.84Å; K175-L178 PolarHBondContact O-N 3.49Å; E176-L178 VanDerWaalsContact C-N 3.35Å; L178-A180 PolarHBondContact O-N 2.94Å
179P82Confident76Confident71 Ų71110.4 Ų110.446%0.46160%0.599SS.*PPolyproline II helixtrans-59.713917326-33000109.4T186P179-T186 HydrophobicContact CB-CG2 4.26Å; P179-T186 HydrophobicContact CG-CG2 4.13Å
180A79.9Confident74.9Confident51 Ų51110.2 Ų110.242%0.42159%0.586SS.*PPolyproline II helixtrans-54137.6179.600000109.9L178 N182 S183 T186L178-A180 PolarHBondContact O-N 2.94Å; A180-N182 WeakPolarHBondContact CB-OD1 3.23Å; A180-N182 PolarHBondContact O-N 3.45Å; A180-S183 WeakPolarHBondContact O-CB 3.39Å; A180-S183 PolarHBondContact O-N 3.23Å; A180-S183 PolarHBondContact O-OG 2.88Å; A180-T186 WeakPolarHBondContact O-CG2 3.42Å
181P71.5Confident73.7Confident120 Ų120106.4 Ų106.478%0.77958%0.583SS**THydrogen-bonded Turntrans-60.5-24.3-173.923.2-33.9000112.6T186P181-T186 PolarHBondContact O-OG1 3.28Å
182N73.9Confident72.3Confident133 Ų133103.3 Ų103.371%0.71157%0.566SS**THydrogen-bonded Turntrans-97.57.8177.363.1-7.8000114.1A180A180-N182 WeakPolarHBondContact CB-OD1 3.23Å; A180-N182 PolarHBondContact O-N 3.45Å
183S75.6Confident71.1Confident26 Ų2699.6 Ų99.618%0.18255%0.552CS.*SBendtrans-65.1155.7174.571.70000110.9A180 E185 T186A180-S183 WeakPolarHBondContact O-CB 3.39Å; A180-S183 PolarHBondContact O-N 3.23Å; A180-S183 PolarHBondContact O-OG 2.88Å; S183-E185 PolarHBondContact O-N 3.46Å; S183-T186 PolarHBondContact O-N 3.05Å; S183-T186 PolarHBondContact O-OG1 3.17Å; S183-T186 WeakPolarHBondContact OG-CG2 3.46Å; S183-T186 PolarHBondContact OG-N 3.35Å; S183-T186 PolarHBondContact OG-OG1 3.21Å
184L71Confident69.5Low136 Ų136102.1 Ų102.171%0.71256%0.563SS**Hα-helixtrans-64.4-25.5178.3-172.9124.9000112
185E70.3Confident67.7Low142 Ų142102.3 Ų102.366%0.66457%0.571SS**Hα-helixtrans-71.9-40.9-179.3-63.5171.6145.300111.6S183 K187 Q188 A189S183-E185 PolarHBondContact O-N 3.46Å; E185-K187 VanDerWaalsContact C-N 3.32Å; E185-K187 PolarHBondContact O-N 3.31Å; E185-Q188 PolarHBondContact O-N 2.9Å; E185-A189 PolarHBondContact O-N 2.97Å; E185-A189 VanDerWaalsContact O-N 3.17Å
186T63.2Low66.2Low33 Ų33100.4 Ų100.420%0.20256%0.563CS.*Hα-helixtrans-66.8-32.6178.853.50000112.4P179 A180 P181 S183 Q188 A189 S190P179-T186 HydrophobicContact CB-CG2 4.26Å; P179-T186 HydrophobicContact CG-CG2 4.13Å; A180-T186 WeakPolarHBondContact O-CG2 3.42Å; P181-T186 PolarHBondContact O-OG1 3.28Å; S183-T186 PolarHBondContact O-N 3.05Å; S183-T186 PolarHBondContact O-OG1 3.17Å; S183-T186 WeakPolarHBondContact OG-CG2 3.46Å; S183-T186 PolarHBondContact OG-N 3.35Å; S183-T186 PolarHBondContact OG-OG1 3.21Å; T186-Q188 VanDerWaalsContact C-N 3.27Å; T186-Q188 PolarHBondContact O-N 2.96Å; T186-A189 PolarHBondContact O-N 2.86Å; T186-S190 PolarHBondContact O-N 3.26Å; T186-S190 PolarHBondContact O-OG 3.33Å
187K59.3Low64.4Low152 Ų15298.5 Ų98.566%0.66156%0.558SS**Hα-helixtrans-63.1-29.7175.4-69.9-170177.9-168.60113.6E185 S190E185-K187 VanDerWaalsContact C-N 3.32Å; E185-K187 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-OG 2.62Å
188Q58.6Low62.6Low142 Ų142100.9 Ų100.966%0.66457%0.565SS**Hα-helixtrans-83.9-36.3175.8-64.6-166.226.300111.6E185 T186 A191 S192E185-Q188 PolarHBondContact O-N 2.9Å; T186-Q188 VanDerWaalsContact C-N 3.27Å; T186-Q188 PolarHBondContact O-N 2.96Å; Q188-A191 PolarHBondContact O-N 3.17Å; Q188-S192 PolarHBondContact O-N 3.05Å
189A58.4Low60.9Low57 Ų57101.4 Ų101.447%0.47157%0.573SS.*Hα-helixtrans-65.9-39.4177.400000112.1E185 T186 A191 S192 L193E185-A189 PolarHBondContact O-N 2.97Å; E185-A189 VanDerWaalsContact O-N 3.17Å; T186-A189 PolarHBondContact O-N 2.86Å; A189-A191 VanDerWaalsContact C-N 3.28Å; A189-A191 PolarHBondContact O-N 2.94Å; A189-S192 CarbonylContact O-C 3.59Å; A189-S192 WeakPolarHBondContact O-CA 3.16Å; A189-S192 WeakPolarHBondContact O-CB 3.29Å; A189-S192 PolarHBondContact O-N 2.95Å; A189-L193 PolarHBondContact O-N 3.12Å
190S57.4Low59.4Low71 Ų71104.1 Ų104.150%0.49759%0.588SS.*Hα-helixtrans-61.8-35.5176.755.60000112.5T186 K187 S192 L193T186-S190 PolarHBondContact O-N 3.26Å; T186-S190 PolarHBondContact O-OG 3.33Å; K187-S190 PolarHBondContact O-OG 2.62Å; S190-S192 VanDerWaalsContact C-N 3.26Å; S190-S192 PolarHBondContact O-N 2.77Å; S190-L193 WeakPolarHBondContact O-CB 3.07Å; S190-L193 PolarHBondContact O-N 2.83Å
191A54.3Low57.7Low75 Ų75106.3 Ų106.362%0.6260%0.596SS**Hα-helixtrans-68.2-25.1173.400000113.2Q188 A189Q188-A191 PolarHBondContact O-N 3.17Å; A189-A191 VanDerWaalsContact C-N 3.28Å; A189-A191 PolarHBondContact O-N 2.94Å
192S54Low56.7Low56 Ų56104.2 Ų104.239%0.39258%0.583SS.*Hα-helixtrans-86-16.2175.5-166.60000113Q188 A189 S190 D194 S195 F196Q188-S192 PolarHBondContact O-N 3.05Å; A189-S192 CarbonylContact O-C 3.59Å; A189-S192 WeakPolarHBondContact O-CA 3.16Å; A189-S192 WeakPolarHBondContact O-CB 3.29Å; A189-S192 PolarHBondContact O-N 2.95Å; S190-S192 VanDerWaalsContact C-N 3.26Å; S190-S192 PolarHBondContact O-N 2.77Å; S192-D194 VanDerWaalsContact C-N 3.28Å; S192-D194 PolarHBondContact O-N 3.33Å; S192-S195 WeakPolarHBondContact O-CB 3.39Å; S192-S195 PolarHBondContact O-N 3.32Å; S192-F196 VanDerWaalsContact O-CD2 3.31Å; S192-F196 WeakPolarHBondContact O-CD2 3.39Å
193L53.1Low55.2Low111 Ų111101.5 Ų101.558%0.58159%0.586SS**Hα-helixtrans-69.3-28.6-176.2-134.8147000111.8A189 S190 S195 F196A189-L193 PolarHBondContact O-N 3.12Å; S190-L193 WeakPolarHBondContact O-CB 3.07Å; S190-L193 PolarHBondContact O-N 2.83Å; L193-S195 PolarHBondContact O-N 3.22Å; L193-S195 VanDerWaalsContact O-N 3.11Å; L193-F196 PolarHBondContact O-N 3.18Å; L193-F196 VanDerWaalsContact O-N 3.08Å
194D50.6Low53.8Low129 Ų129104.5 Ų104.569%0.6961%0.608SS**THydrogen-bonded Turntrans-59.3-22.5170.1-77.7-32.4000113.1S192S192-D194 VanDerWaalsContact C-N 3.28Å; S192-D194 PolarHBondContact O-N 3.33Å
195S50.2Low52.5Low92 Ų92106 Ų10664%0.64361%0.611SS**THydrogen-bonded Turntrans-85.6-17.3178.3-168.50000113.9S192 L193S192-S195 WeakPolarHBondContact O-CB 3.39Å; S192-S195 PolarHBondContact O-N 3.32Å; L193-S195 PolarHBondContact O-N 3.22Å; L193-S195 VanDerWaalsContact O-N 3.11Å
196F50.6Low51.2Low151 Ų151104.8 Ų104.866%0.66262%0.618SS**THydrogen-bonded Turntrans-963.7179.5-60.2-72.1000113.3S192 L193 E198S192-F196 VanDerWaalsContact O-CD2 3.31Å; S192-F196 WeakPolarHBondContact O-CD2 3.39Å; L193-F196 PolarHBondContact O-N 3.18Å; L193-F196 VanDerWaalsContact O-N 3.08Å; F196-E198 PolarHBondContact O-N 3.35Å
197N49.5Very low50.4Low110 Ų110108.9 Ų108.959%0.58864%0.643SS**  trans-6728.4158.3-64.1-33.9000111.9T199N197-T199 PolarHBondContact O-N 3.48Å
198E48Very low49.6Very low164 Ų164110.3 Ų110.377%0.76665%0.649SS**  trans-62.987.8156.9-173.1174-17300104.9F196 V200F196-E198 PolarHBondContact O-N 3.35Å; E198-V200 VanDerWaalsContact C-N 3.3Å; E198-V200 PolarHBondContact O-N 2.71Å
199T47.8Very low48.9Very low108 Ų108115.7 Ų115.766%0.66366%0.663SS**  trans-42.2103.5169.9-52.80000105.5N197 T201N197-T199 PolarHBondContact O-N 3.48Å; T199-T201 PolarHBondContact O-N 3.16Å; T199-T201 PolarHBondContact O-OG1 3.04Å
200V50.6Low48.1Very low127 Ų127120 Ų12077%0.7768%0.675SS**  trans-64.886.4163.9179.50000102.7E198 C202E198-V200 VanDerWaalsContact C-N 3.3Å; E198-V200 PolarHBondContact O-N 2.71Å; V200-C202 PolarHBondContact O-N 2.88Å
201T44.3Very low47.5Very low98 Ų98122.9 Ų122.960%0.60169%0.686SS**  trans-68.590.3177.4-62.70000102.7T199 G203T199-T201 PolarHBondContact O-N 3.16Å; T199-T201 PolarHBondContact O-OG1 3.04Å; T201-G203 PolarHBondContact O-N 3.01Å
202C49.1Very low47Very low76 Ų76125.7 Ų125.751%0.51470%0.697SS.*  trans-46.1118.5158.9-64.70000104.4V200 S204V200-C202 PolarHBondContact O-N 2.88Å; C202-S204 PolarHBondContact O-N 3.35Å; C202-S204 PolarHBondContact O-OG 3.33Å
203G42.7Very low46.6Very low75 Ų75129.8 Ų129.877%0.77372%0.715SS**  trans-54.183.6-173.700000110.7T201 E205T201-G203 PolarHBondContact O-N 3.01Å; G203-E205 PolarHBondContact O-N 2.63Å
204S46.5Very low46Very low90 Ų90130.4 Ų130.463%0.62972%0.723SS**  trans-73.484.8153.725.70000101.8C202 S206C202-S204 PolarHBondContact O-N 3.35Å; C202-S204 PolarHBondContact O-OG 3.33Å; S204-S206 PolarHBondContact O-N 2.97Å
205E44.4Very low45.9Very low166 Ų166132.4 Ų132.478%0.77673%0.728SS**  trans-30112152.246.9-173.6149.600106.8G203 V207G203-E205 PolarHBondContact O-N 2.63Å; E205-V207 PolarHBondContact O-N 3.09Å
206S42.4Very low45.5Very low117 Ų117133.6 Ų133.682%0.81873%0.734SS**  trans-57.4101.5174.9-52.10000104.2S204 K208S204-S206 PolarHBondContact O-N 2.97Å; S206-K208 PolarHBondContact O-N 3.44Å
207V46.3Very low45.2Very low120 Ų120131.9 Ų131.973%0.72774%0.739SS**  trans-61.892.5170.6177.80000102.3E205 R209E205-V207 PolarHBondContact O-N 3.09Å; V207-R209 PolarHBondContact O-N 3.04Å
208K44Very low45.3Very low181 Ų181132.2 Ų132.279%0.78775%0.745SS**  trans-47.2116.4164.3-87.2-175.1177.1-178.10102.9S206 M210S206-K208 PolarHBondContact O-N 3.44Å; K208-M210 WeakPolarHBondContact O-CA 3.31Å; K208-M210 WeakPolarHBondContact O-CB 3.26Å; K208-M210 PolarHBondContact O-N 3.07Å
209R42.3Very low44.9Very low255 Ų255131.4 Ų131.496%0.96275%0.746SS**  trans-34.787.5173.4-152.8-174.4-75.4160-8.7107.7V207V207-R209 PolarHBondContact O-N 3.04Å
210M42.8Very low44.6Very low147 Ų147133.3 Ų133.372%0.72475%0.752SS**  trans-97.1122.7-175.8-165.378.5100.300102.4K208K208-M210 WeakPolarHBondContact O-CA 3.31Å; K208-M210 WeakPolarHBondContact O-CB 3.26Å; K208-M210 PolarHBondContact O-N 3.07Å
211D43.2Very low44.1Very low133 Ų133135.5 Ų135.571%0.71176%0.758SS**  trans-34.2128.1178.4-130-52.2000110.5N213D211-N213 PolarHBondContact O-N 2.83Å
212P45.9Very low43.8Very low133 Ų133137.6 Ų137.686%0.86477%0.766SS**THydrogen-bonded Turntrans-70.131.8-168.629.4-37.1000114.5
213N44Very low43Very low143 Ų143137 Ų13777%0.76577%0.772SS**THydrogen-bonded Turntrans-1117.2-177.7-154.2-96.1000114.7D211D211-N213 PolarHBondContact O-N 2.83Å
214V41.4Very low42.8Very low123 Ų123140.3 Ų140.375%0.74577%0.772SS**  trans-102.698.2176-1700000109.2
215E47.6Very low42.5Very low172 Ų172145.4 Ų145.480%0.80478%0.784SS**  trans-53141172.6-80-139133.600111.7C217E215-C217 PolarHBondContact O-N 2.92Å
216P42.5Very low42Very low117 Ų117140.5 Ų140.576%0.7678%0.778SS**  trans-63.2110.3177.124.8-31.2000109.8V218P216-V218 PolarHBondContact O-N 3.37Å
217C44.9Very low41.7Very low115 Ų115140.9 Ų140.978%0.77778%0.78SS**  trans-66.9102.8173.9-164.30000108.5E215 N219E215-C217 PolarHBondContact O-N 2.92Å; C217-N219 PolarHBondContact O-N 3.38Å
218V50.5Low41.2Very low116 Ų116144.2 Ų144.270%0.70379%0.788SS**  trans-56.5115.3170.3-78.50000109.1P216 N220P216-V218 PolarHBondContact O-N 3.37Å; V218-N220 PolarHBondContact O-N 3.07Å
219N40.8Very low40.7Very low148 Ų148144.6 Ų144.679%0.79179%0.792SS**  trans-65.699.8176-81.9-18.2000109.2C217 L221C217-N219 PolarHBondContact O-N 3.38Å; N219-L221 PolarHBondContact O-N 3.19Å; N219-L221 VanDerWaalsContact O-N 3.1Å
220N40Very low40.6Very low147 Ų147138.2 Ų138.279%0.78678%0.784SS**  trans-70.8103.9168.7-70.3-16.1000109.1V218 N222V218-N220 PolarHBondContact O-N 3.07Å; N220-N222 VanDerWaalsContact C-N 3.27Å; N220-N222 PolarHBondContact O-N 3.23Å
221L40.1Very low40.2Very low173 Ų173136.4 Ų136.491%0.90679%0.786SS**  trans-63.584.8167.1-86.794.5000109.5N219N219-L221 PolarHBondContact O-N 3.19Å; N219-L221 VanDerWaalsContact O-N 3.1Å
222N38.8Very low39.7Very low142 Ų142139.6 Ų139.676%0.75979%0.794SS**  trans-10491.2158.6-177.6-3.6000108.1N220 N224N220-N222 VanDerWaalsContact C-N 3.27Å; N220-N222 PolarHBondContact O-N 3.23Å; N222-N224 PolarHBondContact O-N 3.49Å
223G31.9Very low39.4Very low63 Ų63140.8 Ų140.865%0.64979%0.793SS**  trans-69.4104.3171.400000110.4
224N39.3Very low38.8Very low145 Ų145142.9 Ų142.978%0.77580%0.798SS**  trans-121.483.7157.1-17018.7000108.6N222 G226N222-N224 PolarHBondContact O-N 3.49Å; N224-G226 VanDerWaalsContact C-N 3.27Å; N224-G226 PolarHBondContact O-N 2.66Å
225F39.4Very low38.8Very low198 Ų198142.5 Ų142.587%0.86880%0.798SS**  trans-75.285.8168.6-71.8-84.1000108.3S227F225-S227 PolarHBondContact O-N 2.87Å
226G34.1Very low38.2Very low63 Ų63139.4 Ų139.465%0.64980%0.795SS**  trans-61.7106.6165.700000109N224 Q228N224-G226 VanDerWaalsContact C-N 3.27Å; N224-G226 PolarHBondContact O-N 2.66Å; G226-Q228 PolarHBondContact O-N 2.84Å
227S36.5Very low37.8Very low125 Ų125143 Ų14387%0.87480%0.799SS**  trans-61.8100.6170.7-670000108.7F225F225-S227 PolarHBondContact O-N 2.87Å
228Q35.9Very low38.1Very low190 Ų190143.5 Ų143.589%0.88880%0.8SS**  trans-86.3110.4160-84.9-165.80.100108G226 P230G226-Q228 PolarHBondContact O-N 2.84Å; Q228-P230 WeakPolarHBondContact O-CD 3.23Å
229E32.4Very low37.6Very low188 Ų188145.6 Ų145.688%0.87981%0.808SS**  trans-58.1117.1171.1-162.2-175.8151.900109.6S231E229-S231 PolarHBondContact O-N 2.75Å
230P40Very low37.6Very low121 Ų121141.5 Ų141.579%0.78680%0.8SS**  trans-76.9112.8177.627.9-30.4000109.9Q228 K232Q228-P230 WeakPolarHBondContact O-CD 3.23Å; P230-K232 PolarHBondContact O-N 2.66Å
231S34.6Very low37.7Very low110 Ų110140.9 Ų140.977%0.76980%0.802SS**  trans-66.4117170.259.80000110.6E229 D233E229-S231 PolarHBondContact O-N 2.75Å; S231-D233 PolarHBondContact O-N 2.78Å
232K34.1Very low37.9Very low200 Ų200138.5 Ų138.587%0.8780%0.795SS**  trans17.798.3145.3-58.9-176.6-178.9-177.90116.5P230P230-K232 PolarHBondContact O-N 2.66Å
233D39Very low38Very low158 Ų158139.2 Ų139.285%0.84579%0.793SS**  trans-140.6109.6143.3-91.6-39.9000108.5S231 P235S231-D233 PolarHBondContact O-N 2.78Å; D233-P235 WeakPolarHBondContact O-CD 3.38Å
234E30.2Very low39Very low187 Ų187142.1 Ų142.187%0.87480%0.798SS**  trans-88121174178.5-172.9141.500108.6
235P42Very low39.3Very low115 Ų115141.4 Ų141.475%0.74779%0.79SS**  trans-124.5114.4149.432.8-21.4000111.4D233D233-P235 WeakPolarHBondContact O-CD 3.38Å
236S35.6Very low39.8Very low106 Ų106135.6 Ų135.674%0.74178%0.779SS**  trans27.2120.2146.3-82.30000120.6
237K34.3Very low40.6Very low194 Ų194139.5 Ų139.584%0.84378%0.78SS**  trans-43.2134.2161.5-59169.6-179.91760113.9
238P50.8Low41.5Very low124 Ų124141.3 Ų141.381%0.80577%0.774SS**  trans-96.1120.5140.630.8-23.8000109.1G240P238-G240 PolarHBondContact O-N 2.91Å
239N39.7Very low42.4Very low160 Ų160141.6 Ų141.686%0.85677%0.772SS**  trans-60102.9169.4-81.8-53.5000109.7
240G40Very low43.4Very low62 Ų62138.1 Ų138.164%0.63976%0.764SS**  trans-121.287166.200000108.8P238 V242P238-G240 PolarHBondContact O-N 2.91Å; G240-V242 VanDerWaalsContact C-N 3.34Å; G240-V242 PolarHBondContact O-N 3.43Å
241T42.2Very low44Very low135 Ų135137.9 Ų137.983%0.82876%0.763SS**  trans-68.195.1169.9-57.10000107.6H243T241-H243 PolarHBondContact O-N 2.89Å
242V45.1Very low44.7Very low123 Ų123138.7 Ų138.775%0.74576%0.762SS**  trans-79.9110.9170.9-166.30000106.7G240 V244G240-V242 VanDerWaalsContact C-N 3.34Å; G240-V242 PolarHBondContact O-N 3.43Å; V242-V244 PolarHBondContact O-N 3.09Å
243H41.1Very low45.4Very low156 Ų156134.5 Ų134.572%0.72276%0.756SS**  trans-71.697.1174.3-165.2-89.7000108T241 E245T241-H243 PolarHBondContact O-N 2.89Å; H243-E245 PolarHBondContact O-N 2.87Å; H243-E245 VanDerWaalsContact O-N 3.12Å
244V51.7Low46.2Very low125 Ų125134.6 Ų134.676%0.75876%0.755SS**  trans-80.390.6173.1-1740000107V242 A246V242-V244 PolarHBondContact O-N 3.09Å; V244-A246 PolarHBondContact O-N 2.81Å
245E46.3Very low47Very low129 Ų129134.3 Ų134.360%0.60375%0.753SS**  trans-7395.1169.5-164168.7170.100108.2H243 H247H243-E245 PolarHBondContact O-N 2.87Å; H243-E245 VanDerWaalsContact O-N 3.12Å; E245-H247 PolarHBondContact O-N 3.35Å; E245-H247 IonicContact OE1-CE1 3.53Å; E245-H247 IonicContact OE1-NE2 3.92Å
246A51.1Low47.1Very low76 Ų76137.2 Ų137.263%0.62876%0.757SS**  trans-72.490.517600000109.6V244 H248V244-A246 PolarHBondContact O-N 2.81Å; A246-H248 VanDerWaalsContact C-N 3.29Å; A246-H248 PolarHBondContact O-N 3.25Å; A246-H248 PolarHBondContact O-ND1 2.62Å
247H50Low47.8Very low145 Ų145137 Ų13767%0.67175%0.753SS**  trans-68.691.2164.8-66.7-71.9000109E245 K249E245-H247 PolarHBondContact O-N 3.35Å; E245-H247 IonicContact OE1-CE1 3.53Å; E245-H247 IonicContact OE1-NE2 3.92Å; H247-K249 PolarHBondContact O-N 2.78Å
248H55Low48.5Very low164 Ų164133.8 Ų133.876%0.75975%0.749SS**  trans-69.891.1167.849.4-80.2000108.3A246 T250A246-H248 VanDerWaalsContact C-N 3.29Å; A246-H248 PolarHBondContact O-N 3.25Å; A246-H248 PolarHBondContact O-ND1 2.62Å; H248-T250 PolarHBondContact O-N 2.77Å
249K54.8Low48.3Very low195 Ų195135.2 Ų135.285%0.84875%0.749SS**  trans-77.8108.6163.1-90.8167.9172.4-179.60107.5H247H247-K249 PolarHBondContact O-N 2.78Å
250T53.9Low48.3Very low116 Ų116135.5 Ų135.571%0.71275%0.745SS**PPolyproline II helixtrans-52.7127.2173.5-48.70000109.6H248 V252H248-T250 PolarHBondContact O-N 2.77Å; T250-V252 PolarHBondContact O-N 2.86Å
251P51.8Low48.6Very low116 Ų116138 Ų13875%0.75375%0.75SS**PPolyproline II helixtrans-61.4124.9173.8-18.730.5000109.6
252V49.2Very low48.5Very low126 Ų126139.9 Ų139.976%0.76475%0.754SS**PPolyproline II helixtrans-73125.8170.3179.70000107.2T250 I254T250-V252 PolarHBondContact O-N 2.86Å; V252-I254 PolarHBondContact O-N 2.82Å
253P49.9Very low48.5Very low112 Ų112140.4 Ų140.473%0.72776%0.757SS**PPolyproline II helixtrans-63.6122.8176.724.1-30.4000109.4E255P253-E255 PolarHBondContact O-N 2.7Å
254I56.1Low48.5Very low161 Ų161137 Ų13783%0.82676%0.756SS**  trans-73.8111.4174.4-61.7160.4000105.9V252 E256V252-I254 PolarHBondContact O-N 2.82Å; I254-E256 PolarHBondContact O-N 2.81Å
255E46.9Very low48.1Very low181 Ų181137 Ų13785%0.84676%0.759SS**  trans-66.1121.4168.6-62.4-151.7164.300108.4P253 P257P253-E255 PolarHBondContact O-N 2.7Å; E255-P257 WeakPolarHBondContact O-CD 3.37Å
256E43.1Very low47.9Very low175 Ų175137.5 Ų137.582%0.81877%0.77SS**  trans-63.6120.9-178.9-163.4175.6-166.100109.3I254 V258I254-E256 PolarHBondContact O-N 2.81Å; E256-V258 PolarHBondContact O-N 2.63Å; E256-V258 VanDerWaalsContact O-N 3.1Å
257P51.6Low47.6Very low103 Ų103138.5 Ų138.567%0.66978%0.778SS**  trans-72110.2-17827.1-31.5000109.5E255 I259E255-P257 WeakPolarHBondContact O-CD 3.37Å; P257-I259 PolarHBondContact O-N 2.66Å
258V47.6Very low47.1Very low125 Ų125134.9 Ų134.976%0.75878%0.78SS**  trans-62.9102.7168.11750000108E256 Q260E256-V258 PolarHBondContact O-N 2.63Å; E256-V258 VanDerWaalsContact O-N 3.1Å; V258-Q260 HydrophobicContact CG1-CG 4.41Å; V258-Q260 PolarHBondContact O-N 3.31Å
259I46.6Very low46.4Very low154 Ų154134.3 Ų134.379%0.7978%0.783SS**  trans-66.599174-55.2175.8000107.3P257P257-I259 PolarHBondContact O-N 2.66Å
260Q41Very low46.1Very low166 Ų166132.3 Ų132.378%0.77678%0.78SS**  trans-77.8125.4168.5-66.6-171.32.200108.8V258 L262V258-Q260 HydrophobicContact CG1-CG 4.41Å; V258-Q260 PolarHBondContact O-N 3.31Å; Q260-L262 PolarHBondContact O-N 2.77Å; Q260-L262 VanDerWaalsContact O-N 3.08Å
261P45.6Very low45.8Very low115 Ų115133.2 Ų133.275%0.74779%0.785SS**  trans-66.7110.2176.624.2-30000109.8V263P261-V263 PolarHBondContact O-N 2.67Å; P261-V263 VanDerWaalsContact O-N 3.08Å
262L40.7Very low45.9Very low174 Ų174135.4 Ų135.491%0.91179%0.789SS**  trans-68.1101.1174.1-175.168.7000108.8Q260Q260-L262 PolarHBondContact O-N 2.77Å; Q260-L262 VanDerWaalsContact O-N 3.08Å
263V45.2Very low45.7Very low134 Ų134136.8 Ų136.881%0.81279%0.793SS**PPolyproline II helixtrans-67.5132.2172.5177.90000109.2P261P261-V263 PolarHBondContact O-N 2.67Å; P261-V263 VanDerWaalsContact O-N 3.08Å
264A41.1Very low45.6Very low84 Ų84135.7 Ų135.769%0.69479%0.793SS**PPolyproline II helixtrans-63167.5-167.600000115.1
265P43.6Very low45.6Very low127 Ų127135.7 Ų135.783%0.82579%0.793SS**PPolyproline II helixtrans-81149.9-155.832.6-33.3000114.4
266V41.8Very low45.9Very low138 Ų138132.3 Ų132.384%0.83679%0.787SS**PPolyproline II helixtrans-58.5129.8176.768.10000111.5G268V266-G268 PolarHBondContact O-N 2.96Å; V266-G268 VanDerWaalsContact O-N 3.11Å
267A43.6Very low46.6Very low97 Ų97132.5 Ų132.580%0.80279%0.787SS**  trans-62.2110.1172.900000109.5D269A267-D269 PolarHBondContact O-N 3.03Å
268G39.4Very low47Very low69 Ų69134 Ų13471%0.71180%0.795SS**  trans-76.3113.6172.200000109.9V266 I270V266-G268 PolarHBondContact O-N 2.96Å; V266-G268 VanDerWaalsContact O-N 3.11Å; G268-I270 PolarHBondContact O-N 2.76Å
269D40.2Very low47.3Very low153 Ų153133.7 Ų133.782%0.81879%0.793SS**  trans-63112.5177-144.3-1.9000109.7A267 V271A267-D269 PolarHBondContact O-N 3.03Å; D269-V271 PolarHBondContact O-N 3.44Å; D269-V271 VanDerWaalsContact O-N 3.14Å
270I48.7Very low47.9Very low152 Ų152131.6 Ų131.678%0.77979%0.792SS**  trans-73.799.5176.440.9165.5000109G268 L272G268-I270 PolarHBondContact O-N 2.76Å; I270-L272 PolarHBondContact O-N 2.8Å; I270-L272 VanDerWaalsContact O-N 3.17Å
271V48.2Very low48.1Very low135 Ų135132.5 Ų132.582%0.81880%0.796SS**  trans-68110.8172.6-1800000108.6D269 D273D269-V271 PolarHBondContact O-N 3.44Å; D269-V271 VanDerWaalsContact O-N 3.14Å; V271-D273 PolarHBondContact O-N 2.92Å
272L53.2Low48.2Very low162 Ų162139.6 Ų139.685%0.84882%0.819SS**  trans-64111.5172.4-77.1153.7000109.3I270 A274I270-L272 PolarHBondContact O-N 2.8Å; I270-L272 VanDerWaalsContact O-N 3.17Å; L272-A274 PolarHBondContact O-N 3.45Å
273D45.6Very low48.6Very low156 Ų156137.9 Ų137.983%0.83481%0.814SS**  trans-65.4118.2177.9-153.411.1000109.6V271 I275V271-D273 PolarHBondContact O-N 2.92Å; D273-I275 PolarHBondContact O-N 3.27Å
274A48.9Very low48.8Very low88 Ų88138.1 Ų138.173%0.72782%0.815SS**  trans-74.4114.6-174.400000110.3L272 P276L272-A274 PolarHBondContact O-N 3.45Å; A274-P276 WeakPolarHBondContact O-CD 3.37Å
275I54.8Low49.2Very low162 Ų162141.1 Ų141.183%0.83182%0.821SS**  trans-72.6121.8174.8-56.6174.1000108.8D273 E277D273-I275 PolarHBondContact O-N 3.27Å; I275-E277 PolarHBondContact O-N 3.18Å
276P53.4Low49.5Very low110 Ų110141.9 Ų141.971%0.71482%0.821SS**  trans-74.1116177.425.9-29.9000111.4A274 V278A274-P276 WeakPolarHBondContact O-CD 3.37Å; P276-V278 PolarHBondContact O-N 3.09Å
277E57.1Low50Low178 Ų178142.2 Ų142.283%0.83282%0.82SS**  trans-70.7104.3173.3-167.7176.5-174.600109.9I275 V279I275-E277 PolarHBondContact O-N 3.18Å; E277-V279 PolarHBondContact O-N 3.07Å
278V60.1Low50.4Low136 Ų136145.2 Ų145.282%0.82482%0.821SS**  trans-77.696.9172.9-80.30000109.7P276 S280P276-V278 PolarHBondContact O-N 3.09Å; V278-S280 PolarHBondContact O-N 3.11Å; V278-S280 VanDerWaalsContact O-N 3.09Å
279V54.8Low51.2Low118 Ų118150.6 Ų150.672%0.71583%0.829SS**  trans-67.9103.3171-1770000108.7E277 Q281E277-V279 PolarHBondContact O-N 3.07Å; V279-Q281 PolarHBondContact O-N 2.94Å
280S58.7Low52Low110 Ų110150.5 Ų150.577%0.76983%0.83SS**  trans-77.1108.2174.8-177.80000109.8V278 Q282V278-S280 PolarHBondContact O-N 3.11Å; V278-S280 VanDerWaalsContact O-N 3.09Å; S280-Q282 PolarHBondContact O-N 2.87Å
281Q45.4Very low52.3Low185 Ų185150.3 Ų150.386%0.86483%0.834SS**  trans-73.4116.5169.8-67.7-167.675.600110.1V279V279-Q281 PolarHBondContact O-N 2.94Å
282Q47.7Very low52.7Low264 Ų264151.7 Ų151.7100%1.23484%0.836SS**  trans-142.40151.3-97-172.72.600109.4S280S280-Q282 PolarHBondContact O-N 2.87Å

Retrieved 282 of 282 residues in 60.5 ms (Link to these results)