G4VNZ4_SCHMA Loading...

Cytospin-A

AlphaFold DB , UniProt , Accession G4VNZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,305 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
1M28.5Very low31.5Very low225 Ų225153.6 Ų153.6100%1.10882%0.817SS**  098.30-60.9177.17800105
2L34.8Very low31.4Very low153 Ų153152.8 Ų152.880%0.80180%0.804SS**  78.3117.887.4-76.8176.6000111.9
3Q32Very low31.5Very low164 Ų164153.5 Ų153.577%0.76680%0.797SS**  cis174129.3-41.4165171.51.700108
4E26.8Very low31.4Very low176 Ų176154.6 Ų154.682%0.82280%0.796SS**  trans-88152.4164.6-67.6-160158.200111.6
5P49Very low31.3Very low112 Ų112152.7 Ų152.773%0.72779%0.788SS**  trans-121.7111.8165.535.3-21.1000112.6
6I28.5Very low31.3Very low152 Ų152151.8 Ų151.878%0.77978%0.784SS**  trans-80.1138152.9-63.5173.5000107.5
7L37.5Very low31.2Very low167 Ų167150.8 Ų150.887%0.87478%0.781SS**  trans-118.9127.6161.8-78.5179000110.7
8H25.8Very low31.1Very low166 Ų166148.4 Ų148.477%0.76978%0.779SS**  trans-60.5152169.1-114.1-105.8000111.4
9L29.7Very low31Very low163 Ų163144.9 Ų144.985%0.85377%0.774SS**  -165.7146.5122.1-103.8162.3000110.7
10S24.8Very low30.9Very low98 Ų98147.9 Ų147.969%0.68578%0.78SS**  trans-154160.5176.3-600000109.1
11S29.8Very low30.8Very low114 Ų114148.8 Ų148.880%0.79778%0.784SS**  trans73.3138.6-164.3-133.20000112.8
12E29.3Very low31.3Very low143 Ų143143.7 Ų143.767%0.66877%0.768SS**  cis-131.7157.420.8-71.1-170.492.900115.5
13K33.3Very low31Very low162 Ų162143 Ų14370%0.70477%0.765SS**  trans39.9114.2139.4-64.1165.2-174.6152.80121
14E30Very low30.9Very low169 Ų169141.2 Ų141.279%0.7976%0.76SS**  40139.8116.3-63.3-168.515800123.3
15N30.4Very low31Very low126 Ų126138.6 Ų138.667%0.67476%0.761SS**  trans89.5110.9141.1-82.2-42.6000121.7
16L30.8Very low30.1Very low139 Ų139141.3 Ų141.373%0.72876%0.763SS**  trans86.4113.3138.5-60.7169.9000121.3
17N30.3Very low30.3Very low135 Ų135140.4 Ų140.472%0.72277%0.77SS**  trans78103132.4-65.3-7.4000121.7
18S28.2Very low29.9Very low108 Ų108143.6 Ų143.676%0.75577%0.771SS**  69.5119.7124.567.60000121.1
19A29.7Very low30.1Very low82 Ų82147.5 Ų147.568%0.67878%0.779SS**  trans53117.6140.900000119.6
20F29.8Very low30Very low204 Ų204150.7 Ų150.790%0.89578%0.779SS**  -173.913497.3-106.3-77.9000111
21L27.8Very low30.4Very low167 Ų167154.1 Ų154.187%0.87479%0.788SS**  trans-119.2131.1166.1-85.4175.7000109.7
22P38.7Very low30.3Very low118 Ų118154.1 Ų154.177%0.76678%0.779SS**  trans-119.895.415933.7-21.1000112
23N30.1Very low30.4Very low138 Ų138156.1 Ų156.174%0.73879%0.786SS**  39.9129.4126.7-87-19.4000122.6
24I28.5Very low30.3Very low127 Ų127152.9 Ų152.965%0.65178%0.784SS**  trans73.4114.1130.9-59.4165.8000118.5
25S30.4Very low30.2Very low121 Ų121152 Ų15285%0.84678%0.784SS**  -146.6143.2119.351.60000110.8
26H29.6Very low30.3Very low169 Ų169151.3 Ų151.378%0.78279%0.785SS**  trans-95.8148.3-178.3-63.2-81000111.8
27S32.3Very low30.4Very low132 Ų132152.8 Ų152.892%0.92379%0.788SS**  -162.4156.3122.1-96.40000114.2
28R28.1Very low30.5Very low235 Ų235151 Ų15189%0.88778%0.778SS**  trans-150.9110.5-172.5177.9-163.5-167.1-154.28.3110
29R30.1Very low31Very low247 Ų247154.1 Ų154.193%0.93279%0.785SS**  trans-171.5149.3145.8-105.8155.8-161.4-153.45.8114.5
30R27.3Very low31.3Very low230 Ų230158.5 Ų158.587%0.86879%0.788SS**  trans-53.6158.7170.4-52.6161.7173.7167.8-5.8112.6
31I34Very low31.5Very low171 Ų171152.4 Ų152.488%0.87778%0.784SS**  -163.5147.3111.7-99.4155.7000112.6
32D28.2Very low31.7Very low113 Ų113152.5 Ų152.560%0.60478%0.784SS**  trans-45.9160.6-178.5-79.212.6000121.9
33K31.5Very low31.3Very low186 Ų186152.1 Ų152.181%0.80978%0.783SS**  trans88.2172.4140.9-78.2156.8-169.2130.20119.9
34S30.7Very low31Very low94 Ų94157.1 Ų157.166%0.65779%0.791SS**  trans-158.6156-135.4560000114.7
35N28.7Very low31.1Very low149 Ų149157.6 Ų157.680%0.79780%0.8SS**  trans74.1136.1169.7-51.7-6.2000114.2
36T32.6Very low31Very low113 Ų113157.1 Ų157.169%0.69380%0.797SS**  -153.4159.864.335.30000115.2
37E32.5Very low31.2Very low169 Ų169157 Ų15779%0.7980%0.797SS**  trans65.2148.2142.5-75.5166.4-133.800121.2
38D32.8Very low30.8Very low98 Ų98156.6 Ų156.652%0.52478%0.78SS.*  cis-165130.2-22.4-155.633.9000111.1K40D38-K40 WeakPolarHBondContact OD2-CE 3.32Å; D38-K40 IonicContact OD2-NZ 3.7Å; D38-K40 PolarHBondContact OD2-NZ 3.39Å
39I38.3Very low30.9Very low173 Ų173155.4 Ų155.489%0.88778%0.776SS**  trans-141.2135.5156.9-63.7-172.7000108.3
40K35.7Very low31Very low174 Ų174153.5 Ų153.576%0.75777%0.774SS**  trans-102143.3-162.7-70.2169.3171.31070113.7D38D38-K40 WeakPolarHBondContact OD2-CE 3.32Å; D38-K40 IonicContact OD2-NZ 3.7Å; D38-K40 PolarHBondContact OD2-NZ 3.39Å
41G34.6Very low31Very low77 Ų77150.9 Ų150.979%0.79477%0.774SS**  trans-152.7114.8174.100000112.9
42L30.9Very low31.3Very low169 Ų169148.6 Ų148.689%0.88577%0.77SS**  trans-62160.8-179.6-89.365.3000113.9
43C29.9Very low31.3Very low110 Ų110147.7 Ų147.774%0.74378%0.778SS**  cis-167.8162.3-18.2-163.10000109.8
44R24.4Very low31.2Very low242 Ų242146.8 Ų146.891%0.91378%0.781SS**  trans-92.3143.5158-86.9-175.3174178.6-1.2110.3
45V30.2Very low31Very low137 Ų137147.6 Ų147.683%0.8379%0.787SS**  trans-146137.2157.4-1790000109.7
46S29.5Very low31.3Very low112 Ų112146.4 Ų146.478%0.78379%0.785SS**  trans-144115.1163.8-66.50000109.8
47Q32.2Very low31.2Very low166 Ų166147 Ų14778%0.77679%0.789SS**  trans-177.4131.3135.7-109.3177.8-75.400115
48E25.8Very low31.6Very low123 Ų123145.1 Ų145.158%0.57579%0.791SS**  trans59.4136.9135.9-89.1-175.198.500125.9
49R29.9Very low31.4Very low210 Ų210149.8 Ų149.879%0.79280%0.802SS**  trans72.4102.3148.4-65.9173.6-157.7-175.811.9120.4
50K31Very low31.2Very low208 Ų208148.6 Ų148.690%0.90480%0.802SS**  -161.7138.6106-108.7171.4-177.4176.70112.5
51M27.4Very low30.9Very low175 Ų175147.4 Ų147.486%0.86280%0.8SS**  trans-91.1153.3153.5-79.4-74.7-168.700108.2
52P40.6Very low30.8Very low123 Ų123147.1 Ų147.180%0.79980%0.797SS**  -132.8167.6112.338.1-30.5000112.9
53A28.4Very low30.8Very low93 Ų93147.1 Ų147.177%0.76979%0.792SS**  trans-82.9155.4-177.100000113.3
54L30.3Very low30.7Very low168 Ų168147.1 Ų147.188%0.8879%0.792SS**  trans-133.9120.2145.9-97.1175000109.1
55S25.9Very low31Very low111 Ų111146.6 Ų146.678%0.77679%0.79SS**  trans-115.8132.5161.7530000107.9
56T34.6Very low31Very low123 Ų123145.9 Ų145.976%0.75579%0.791SS**  trans-142.1102.6173.7-49.70000108.9
57T31.2Very low31Very low126 Ų126144.2 Ų144.277%0.77379%0.792SS**  trans-81.8159.5159.650.90000109.2
58P40.7Very low31.1Very low130 Ų130141.2 Ų141.284%0.84479%0.789SS**  trans-116.1161.2131.333.4-31.9000111.7
59R28.2Very low31.5Very low196 Ų196141 Ų14174%0.7480%0.796SS**  trans-136.4130.7-169.9154.9-175162.6-174.1-3.7109Q61R59-Q61 VanDerWaalsContact CZ-OE1 3.26Å
60T34Very low31.5Very low147 Ų147137.4 Ų137.490%0.90279%0.793SS**  trans-134.6137.3163.531.30000109.4
61Q29Very low31.7Very low149 Ų149133.3 Ų133.370%0.69679%0.785SS**  trans-108.7150-175-68.7166.4-107.400110.4R59R59-Q61 VanDerWaalsContact CZ-OE1 3.26Å
62G32.6Very low31.7Very low72 Ų72132.8 Ų132.874%0.74279%0.786SS**  trans-151.435.3-167.100000118
63H31Very low31.1Very low169 Ų169132 Ų13278%0.78278%0.783SS**  trans50.8120.1157.6-7289.5000122.4
64C28.2Very low31Very low109 Ų109134.9 Ų134.974%0.73679%0.785SS**  trans70.9154.5139.7-61.90000119
65R29.8Very low30.7Very low232 Ų232136 Ų13688%0.87578%0.783SS**  cis-157.2148.92.9-134.2174.8-175.6-162.61.7110.8
66S31.3Very low30.9Very low122 Ų122137.7 Ų137.785%0.85379%0.788SS**  trans45.291.5153.6-174.50000118.6
67G30.1Very low30.8Very low77 Ų77142.9 Ų142.979%0.79479%0.794SS**  126.1-175.387.300000110.7
68S33.1Very low31.1Very low102 Ų102141.7 Ų141.771%0.71379%0.789SS**  cis-168.3147.1-10.9-177.60000110.5
69T33.4Very low30.4Very low118 Ų118142.3 Ų142.372%0.72479%0.785SS**  trans54.7132.8169.151.80000118.6
70N31.6Very low30.5Very low136 Ų136137.4 Ų137.473%0.72778%0.781SS**  cis-158150.46-111.6-6.9000111.9
71T34.3Very low30.3Very low121 Ų121138.9 Ų138.974%0.74278%0.777SS**  trans45.1109.1153.856.60000118.3
72D26.9Very low30.3Very low164 Ų164137.1 Ų137.188%0.87778%0.776SS**  cis59.813942.7-94.7-33.6000114.9
73S29.6Very low30.2Very low106 Ų106139 Ų13974%0.74178%0.778SS**  cis-156.1174.512.753.10000114.1
74L24.5Very low30Very low155 Ų155135 Ų13581%0.81277%0.774SS**  trans-113.1154.3169.5-81.4167.2000111.9
75F25.4Very low30.1Very low192 Ų192138.9 Ų138.984%0.84278%0.779SS**  trans52.6114.4150.6-102.5-97.1000121.5
76V29.5Very low30Very low146 Ų146134.7 Ų134.789%0.88577%0.773SS**  trans-144.9137.5143.6-175.60000112.5
77R33.4Very low29.8Very low232 Ų232140.2 Ų140.288%0.87578%0.775SS**  trans-146.7160.4154.2-115.2-173.5176.8-169.70.7105.3
78P36.8Very low29.8Very low101 Ų101141 Ų14166%0.65677%0.774SS**  cis-158.6-164.649.443.1-19.3000117.7
79N26.2Very low29.6Very low142 Ų142141.2 Ų141.276%0.75978%0.781SS**  trans78.399.4142.5-75-1.1000125.8
80S29.9Very low29.4Very low94 Ų94138.6 Ų138.666%0.65778%0.778SS**  102.7146.9100.181.90000122.9
81Q30.1Very low29.1Very low178 Ų178140.1 Ų140.183%0.83278%0.781SS**  trans70.9149.2157.5-62.4-154.112.200118.7
82V29.2Very low29.1Very low112 Ų112139.3 Ų139.368%0.67978%0.778SS**  cis-161.3144.7-10.1120.40000111.7
83S29.1Very low29.2Very low111 Ų111136.1 Ų136.178%0.77676%0.764SS**  trans46.3169.5153.4-62.30000123.8
84A27.2Very low29.1Very low84 Ų84136.9 Ų136.969%0.69476%0.76SS**  cis-176.8134.5-40.900000112
85K29.8Very low29.3Very low192 Ų192136.4 Ų136.484%0.83575%0.751SS**  trans-173.6118.2149-106.6156.8178172.60110.1
86L28.7Very low29.5Very low144 Ų144134.9 Ų134.975%0.75474%0.744SS**  65.3114.798.4-88.676.2000114
87R26.6Very low29.5Very low238 Ų238132.2 Ų132.290%0.89873%0.732SS**  75.5144.577.6-83.1-166.4173.1-171.6-1.7113.2
88A29.9Very low29.6Very low94 Ų94126.9 Ų126.978%0.77773%0.73SS**  cis-167.1-176.9-14.400000106.8
89A29.1Very low29.5Very low105 Ų105126.1 Ų126.187%0.86873%0.727SS**  cis-150.1-1733.700000107.5
90G29.3Very low29.5Very low64 Ų64129.6 Ų129.666%0.6673%0.731SS**  cis-145.4-174.2-1.100000110.2
91E25.2Very low29.8Very low168 Ų168131.3 Ų131.379%0.78573%0.729SS**  cis63.7148.730.7-86.9-129.8126.100115
92P35.3Very low29.8Very low104 Ų104127.8 Ų127.868%0.67572%0.716SS**  cis-139.6155.716.441.7-23.5000119.4
93T27.6Very low29.9Very low96 Ų96127.9 Ų127.959%0.58971%0.711SS**  trans37.6126.1136.972.40000126.6
94L28.9Very low29.9Very low123 Ų123132 Ų13264%0.64472%0.715SS**  57.4119.7119.3-58.9171.9000123.8
95K28.1Very low30.1Very low144 Ų144134.5 Ų134.563%0.62672%0.715SS**  160129.5102.7-98.6140.9-177.7175.40116.9T728K95-T728 CarbonylContact C-O 3.5Å; K95-T728 VanDerWaalsContact C-O 3.27Å; K95-T728 PolarHBondContact N-O 3Å
96K29.6Very low30.1Very low161 Ų161129.2 Ų129.270%0.771%0.707SS**  trans6899.9134.8-73-171.6172.5-169.90123.5T728K96-T728 PolarHBondContact N-O 3.26Å
97S30.4Very low30.1Very low90 Ų90129.2 Ų129.263%0.62971%0.708SS**  68.6124.7119.1660000125.3
98S34.2Very low30.1Very low120 Ų120125.2 Ų125.284%0.83971%0.705SS**  trans67.8147.6143-72.60000121.5
99S34.7Very low30.1Very low85 Ų85124.3 Ų124.359%0.59470%0.704SS**  cis-169.8147.5-17.961.90000112
100Y27.4Very low30.1Very low214 Ų214129.7 Ų129.784%0.83971%0.708SS**  trans56.2142.7161.3-62.9-65.7000117.7
101Q35.6Very low30.1Very low131 Ų131130.3 Ų130.361%0.61272%0.715SS**  cis-148.8-159.412.4-129.3171.727.800107.6
102N29.3Very low30.4Very low104 Ų104131.8 Ų131.856%0.55672%0.721SS**  cis-151.9-171.813.3-139.6-27.1000114.9
103I31.1Very low30.2Very low113 Ų113131 Ų13158%0.57972%0.724SS**  trans-82.4141-169.3-65.9154.9000115.8I105I103-I105 HydrophobicContact CG2-CD1 3.89Å; I103-I105 HydrophobicContact CG2-CG1 3.98Å
104K30.8Very low30.3Very low197 Ų197134.3 Ų134.386%0.85774%0.735SS**  -178.6151118.5-95.4-174.1179.3178.70108.9
105I29.8Very low30.5Very low137 Ų137137.4 Ų137.470%0.70375%0.745SS**  cis162.8149.4-19.8-104.7175.6000104.4I103I103-I105 HydrophobicContact CG2-CD1 3.89Å; I103-I105 HydrophobicContact CG2-CG1 3.98Å
106A31.4Very low30.5Very low81 Ų81135.8 Ų135.867%0.66975%0.752SS**  trans81.3105.9164.700000121.2
107N27.7Very low30.7Very low144 Ų144133.3 Ų133.377%0.7776%0.755SS**  62.1134.6123.7-673.7000124.6
108N26.6Very low30.6Very low155 Ų155135.8 Ų135.883%0.82976%0.761SS**  trans65.3133.3141.6-68-3.1000121.2
109G29.5Very low30.5Very low74 Ų74136.9 Ų136.976%0.76376%0.757SS**  trans12095.6134.100000117
110K29.4Very low30.3Very low219 Ų219140.2 Ų140.295%0.95276%0.763SS**  trans-4.5136154.6-60.4174.8175.9-179.20118
111G30.8Very low30.3Very low77 Ų77135.6 Ų135.679%0.79476%0.757SS**  trans138.396.4135.300000117.8
112Q29.8Very low30.1Very low198 Ų198135.6 Ų135.693%0.92577%0.766SS**  trans-93.9150.9137.6-65.2178.8-9.200106.6
113A32.3Very low30.3Very low88 Ų88139 Ų13973%0.72778%0.779SS**  cis-146.8170.26.900000112.1
114M30.2Very low30.8Very low166 Ų166140.1 Ų140.182%0.81879%0.793SS**  trans16.4120.8154.6-53.7-54.8-17000119.8
115H31.7Very low30.9Very low187 Ų187133.8 Ų133.887%0.86678%0.784SS**  179.6137.5106.3-98.6-75.5000112.3
116S29.1Very low31Very low111 Ų111137 Ų13778%0.77679%0.793SS**  trans-101.7160.9160.3-50.60000107.9
117S33.7Very low31.1Very low109 Ų109144.6 Ų144.676%0.76280%0.804SS**  cis-158.5133.110.144.10000108.4
118N28.7Very low31.3Very low142 Ų142146.6 Ų146.676%0.75981%0.806SS**  85.5152.988.2-157.714.8000115.7
119L30.9Very low31.5Very low143 Ų143145.5 Ų145.575%0.74980%0.8SS**  trans73.9162.9178.4-61.1143.7000117.9
120Q30.7Very low31.8Very low155 Ų155148.2 Ų148.272%0.72480%0.796SS**  -169.4145.9-74.2-110.2-172.6-47.500112.2
121V28.5Very low31.9Very low117 Ų117144.8 Ų144.871%0.70979%0.789SS**  trans62.7129147.4-179.50000117
122T30.4Very low32.2Very low130 Ų130145.9 Ų145.980%0.79878%0.784SS**  -171.3160.367.6-29.80000111.8
123Q33.7Very low32.4Very low176 Ų176144.9 Ų144.982%0.82278%0.777SS**  trans-96.6164.4159.9-61-171.8-6.200111.3
124P41.7Very low32.5Very low136 Ų136148.1 Ų148.188%0.88378%0.777SS**  -149.917590.838.2-20.1000115.5
125G32.3Very low32.6Very low64 Ų64147.6 Ų147.666%0.6677%0.77SS**  trans-154.7175.717400000114.1
126K31.7Very low32.7Very low206 Ų206145 Ų14590%0.89676%0.758SS**  trans-173.3158.6173.4-111.9156.7-171.6171.50115.2
127R32.8Very low32.8Very low239 Ų239147.2 Ų147.290%0.90276%0.755SS**  trans77.8151170.4-60.1177173.2178.8-2.7117.4
128K33.5Very low32.7Very low186 Ų186147.4 Ų147.481%0.80976%0.757SS**  cis-173.9158.9-45.5-119.9-172.4178.3-169.70110.1
129N30.5Very low32.6Very low132 Ų132146.6 Ų146.671%0.70676%0.763SS**  trans72.1148.4168.9-62.32.9000117.1
130L34.5Very low32.8Very low131 Ų131144.7 Ų144.769%0.68677%0.767SS**  cis-161.4139.3-14.3-110.4168.3000110.5
131N32.9Very low32.7Very low148 Ų148141.3 Ų141.379%0.79177%0.766SS**  trans43.8145147.1-71.21.3000123
132S36.1Very low32.7Very low99 Ų99143.3 Ų143.369%0.69277%0.773SS**  cis-161.8144.73.549.60000116.2
133K35.1Very low33Very low178 Ų178144.4 Ų144.477%0.77477%0.772SS**  trans63.7122.3143.7-77.3-175.1176.9179.40122.8
134Q34.5Very low33Very low156 Ų156141.3 Ų141.373%0.72977%0.767SS**  trans71.7144.2140.2-62.3-178.7-55.200118.3
135K32.6Very low32.6Very low155 Ų155140.4 Ų140.467%0.67476%0.759SS**  cis-156.9144.3-8.4-126.4-175169.8-161.30111.3
136H32.6Very low32.6Very low131 Ų131143.4 Ų143.461%0.60676%0.764SS**  trans50.1123.9157.1-61.5-55.5000122.9
137H32.3Very low32.4Very low158 Ų158138.7 Ų138.773%0.73176%0.756SS**  trans38.599.1134.9-46.7-55.5000118.8
138S29.9Very low32.3Very low113 Ų113131.9 Ų131.979%0.7975%0.745SS**  87.286.36173.70000115
139S27.4Very low32.3Very low126 Ų126131.9 Ų131.988%0.88175%0.745SS**  trans-138.8133.9139.6-174.70000107.3
140A34.2Very low32.3Very low102 Ų102132.8 Ų132.884%0.84375%0.75SS**  trans-151.6121179.900000109.4
141A29.4Very low32.3Very low85 Ų85130.7 Ų130.770%0.70275%0.752SS**  trans-111.1171.9173.600000110.4
142N29.1Very low32.1Very low159 Ų159131.7 Ų131.785%0.8575%0.752SS**  trans81.1152.4157.7-60.3-23.4000120.2
143I36.7Very low31.7Very low152 Ų152133.7 Ų133.778%0.77975%0.754SS**  trans-96.6159.1-176.8-62151.4000108.9
144P34.2Very low31.6Very low111 Ų111132.5 Ų132.572%0.72176%0.762SS**  trans-124.4135.9134.91010.5000112.3
145T32.5Very low31.3Very low117 Ų117130.3 Ų130.372%0.71876%0.764SS**  59.4136.673.1-5.30000112.4
146V31.4Very low31.2Very low127 Ų127129 Ų12977%0.7777%0.774SS**  cis-149.9162.836.1-177.60000114
147C28Very low31Very low107 Ų107131.4 Ų131.472%0.72379%0.785SS**  trans-50.7171.8175.7-43.20000117.2
148S31.8Very low31.5Very low96 Ų96128.2 Ų128.267%0.67178%0.779SS**  179.9156.166.8-54.90000116.8
149K33.6Very low31.6Very low187 Ų187131.8 Ų131.881%0.81378%0.783SS**  trans73.2149.1151.5-72.3166.1-177.4179.90120.4
150N30.1Very low31.7Very low150 Ų150133.3 Ų133.380%0.80277%0.774SS**  cis-172165.5-28.4-114.124.1000111.2
151A33.5Very low31.5Very low88 Ų88136.7 Ų136.773%0.72777%0.772SS**  trans71.6147.8164.800000118.1
152E29Very low31.5Very low168 Ų168138.2 Ų138.279%0.78577%0.773SS**  cis-157.6159.6-7.1-121.1178.9156.500113.2
153L29Very low31.5Very low142 Ų142137.6 Ų137.674%0.74376%0.764SS**  trans43.6117.8155.7-60.8171.7000122.6
154T32.5Very low31.3Very low152 Ų152138.8 Ų138.893%0.93377%0.772SS**  173.9177.511432.10000111.8
155S27Very low31.5Very low111 Ų111139.7 Ų139.778%0.77677%0.77SS**  trans-134.5179.3-165.560.60000114.7
156S32.1Very low32Very low127 Ų127138.5 Ų138.589%0.88876%0.763SS**  trans95171.9174.579.70000117.7
157E27.5Very low32.5Very low181 Ų181140.4 Ų140.485%0.84676%0.763SS**  trans-128.6-163-135.8-143.2-159128.400113.7
158P43.1Very low33.3Very low92 Ų92139 Ų13960%0.59776%0.755SS**  -115.7175-117.242.4-28.1000115.4
159H32.4Very low33.9Very low187 Ų187138.7 Ų138.787%0.86675%0.745SS**  trans-149163.7157.5-119.254.3000116
160F28.2Very low34.6Very low159 Ų159132.8 Ų132.870%0.69773%0.731SS**  trans-74.3157.4-168.5-81-113.8000115.2
161Q29.8Very low35.5Very low172 Ų172132.1 Ų132.180%0.80472%0.723SS**  trans-157.191.2141.5-159.868.99.200113
162T30.3Very low36.5Very low117 Ų117136 Ų13672%0.71872%0.719SS**  trans-130.344.1179.342.70000114
163H28.8Very low38.2Very low146 Ų146133.6 Ų133.668%0.67671%0.711SS**  trans-11660.7-174.7-81.2-77.2000115.1
164L33.5Very low40.1Very low178 Ų178129.7 Ų129.793%0.93270%0.695SS**SBendtrans-139.317.5174-83.2-176.6000116.6
165N37.9Very low41.7Very low129 Ų129125.7 Ų125.769%0.6967%0.67SS**SBendtrans-128.89.8-175.7-144.25.8000116.5
166T43.6Very low43.6Very low93 Ų93125.3 Ų125.357%0.57166%0.659SS**SBendtrans-87-36.7-176.1510000114.3S168 N169 A170T166-S168 PolarHBondContact O-N 2.95Å; T166-N169 PolarHBondContact O-N 3.48Å; T166-A170 PolarHBondContact O-N 2.67Å
167H40Very low45.6Very low167 Ų167122.5 Ų122.577%0.77364%0.64SS**Hα-helixtrans-71.6-27.3-169.5-76.960.8000114
168S44.7Very low47.9Very low77 Ų77119 Ų11954%0.53863%0.627SS.*Hα-helixtrans-68.4-43.4176.9-175.10000112.2T166 R172T166-S168 PolarHBondContact O-N 2.95Å; S168-R172 PolarHBondContact O-N 2.8Å
169N44.6Very low49.8Very low89 Ų89119.3 Ų119.348%0.47662%0.623SS.*Hα-helixtrans-70.4-39.9-176.8-78.3-26.5000112.8T166 H171 R172 I173T166-N169 PolarHBondContact O-N 3.48Å; N169-H171 VanDerWaalsContact C-N 3.28Å; N169-H171 PolarHBondContact O-N 3.32Å; N169-R172 PolarHBondContact O-N 2.91Å; N169-R172 VanDerWaalsContact O-N 3.17Å; N169-I173 VanDerWaalsContact O-CG1 3.31Å; N169-I173 WeakPolarHBondContact O-CG1 3.26Å; N169-I173 PolarHBondContact O-N 3.4Å
170A49.3Very low52.1Low63 Ų63115.9 Ų115.952%0.52161%0.61SS.*Hα-helixtrans-55.2-43.5177.700000112.1T166 R172 I173 S174T166-A170 PolarHBondContact O-N 2.67Å; A170-R172 PolarHBondContact O-N 2.92Å; A170-I173 PolarHBondContact O-N 3.04Å; A170-S174 PolarHBondContact O-N 3.35Å; A170-S174 VanDerWaalsContact O-N 3.09Å
171H48.8Very low54.7Low137 Ų137111 Ų11163%0.63460%0.596SS**Hα-helixtrans-70.2-32.5-178.7-149-30.6000112.9N169 V175N169-H171 VanDerWaalsContact C-N 3.28Å; N169-H171 PolarHBondContact O-N 3.32Å; H171-V175 WeakPolarHBondContact O-CG2 3.47Å; H171-V175 PolarHBondContact O-N 3.27Å
172R55.3Low57.3Low169 Ų169109.8 Ų109.864%0.63858%0.584SS**Hα-helixtrans-72.4-37.1174.2-63.8-173.376.9-170.24.2112.5S168 N169 A170 V175 N176S168-R172 PolarHBondContact O-N 2.8Å; N169-R172 PolarHBondContact O-N 2.91Å; N169-R172 VanDerWaalsContact O-N 3.17Å; A170-R172 PolarHBondContact O-N 2.92Å; R172-V175 PolarHBondContact O-N 2.75Å; R172-N176 WeakPolarHBondContact O-CB 3.44Å; R172-N176 VanDerWaalsContact O-CG 3.26Å; R172-N176 PolarHBondContact O-N 3.3Å; R172-N176 PolarHBondContact O-OD1 2.83Å
173I64.9Low60Low118 Ų118108.4 Ų108.461%0.60558%0.575SS**Hα-helixtrans-64.6-43.9176.5-67.7163.8000110.5N169 A170 N176 S177N169-I173 VanDerWaalsContact O-CG1 3.31Å; N169-I173 WeakPolarHBondContact O-CG1 3.26Å; N169-I173 PolarHBondContact O-N 3.4Å; A170-I173 PolarHBondContact O-N 3.04Å; I173-N176 PolarHBondContact O-N 2.91Å; I173-S177 WeakPolarHBondContact O-CB 3.29Å; I173-S177 PolarHBondContact O-N 2.71Å
174S67.7Low62.6Low59 Ų59105.2 Ų105.241%0.41356%0.561SS.*Hα-helixtrans-58.1-51.6173.7156.60000112.3A170 N176 S177 D178A170-S174 PolarHBondContact O-N 3.35Å; A170-S174 VanDerWaalsContact O-N 3.09Å; S174-N176 VanDerWaalsContact C-N 3.32Å; S174-N176 PolarHBondContact O-N 2.86Å; S174-S177 WeakPolarHBondContact O-CB 3.12Å; S174-S177 PolarHBondContact O-N 2.76Å; S174-S177 VanDerWaalsContact O-N 3.09Å; S174-D178 PolarHBondContact O-N 2.68Å
175V66.2Low65.2Low69 Ų69103.7 Ų103.742%0.41854%0.543SS..Hα-helixtrans-62.6-38.5-179.3170.80000112H171 R172 L179H171-V175 WeakPolarHBondContact O-CG2 3.47Å; H171-V175 PolarHBondContact O-N 3.27Å; R172-V175 PolarHBondContact O-N 2.75Å; V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 WeakPolarHBondContact O-CB 3.21Å; V175-L179 WeakPolarHBondContact O-CG 3.39Å; V175-L179 PolarHBondContact O-N 3.28Å
176N66.7Low67.5Low102 Ų102101.4 Ų101.455%0.54553%0.528SS..Hα-helixtrans-65.9-37.3174.6-73.4-0.3000112.1R172 I173 S174 L179 L180R172-N176 WeakPolarHBondContact O-CB 3.44Å; R172-N176 VanDerWaalsContact O-CG 3.26Å; R172-N176 PolarHBondContact O-N 3.3Å; R172-N176 PolarHBondContact O-OD1 2.83Å; I173-N176 PolarHBondContact O-N 2.91Å; S174-N176 VanDerWaalsContact C-N 3.32Å; S174-N176 PolarHBondContact O-N 2.86Å; N176-L179 PolarHBondContact O-N 3.49Å; N176-L180 WeakPolarHBondContact O-CB 3.4Å; N176-L180 PolarHBondContact O-N 3.19Å
177S75.1Confident69.6Low69 Ų69101.4 Ų101.448%0.48352%0.52SS..Hα-helixtrans-65.9-43.3177.1-169.90000112.3I173 S174 L180 S181I173-S177 WeakPolarHBondContact O-CB 3.29Å; I173-S177 PolarHBondContact O-N 2.71Å; S174-S177 WeakPolarHBondContact O-CB 3.12Å; S174-S177 PolarHBondContact O-N 2.76Å; S174-S177 VanDerWaalsContact O-N 3.09Å; S177-L180 PolarHBondContact O-N 2.81Å; S177-S181 VanDerWaalsContact O-CB 3.24Å; S177-S181 WeakPolarHBondContact O-CB 3.15Å; S177-S181 PolarHBondContact O-N 3.44Å; S177-S181 PolarHBondContact O-OG 2.81Å
178D76.1Confident72Confident106 Ų106100.2 Ų100.257%0.56751%0.512SS*.Hα-helixtrans-65.9-38.5175.8-81.8-39.9000112.5S174 R182S174-D178 PolarHBondContact O-N 2.68Å; D178-R182 WeakPolarHBondContact O-CB 3.1Å; D178-R182 PolarHBondContact O-N 2.89Å; D178-R182 VanDerWaalsContact O-N 3.09Å
179L81.3Confident74.2Confident99 Ų99103.3 Ų103.352%0.51852%0.518SS..Hα-helixtrans-63.6-48.9173.7-78.1168.2000111.5V175 N176 S181 R182 V183V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 WeakPolarHBondContact O-CB 3.21Å; V175-L179 WeakPolarHBondContact O-CG 3.39Å; V175-L179 PolarHBondContact O-N 3.28Å; N176-L179 PolarHBondContact O-N 3.49Å; L179-S181 PolarHBondContact O-N 3.24Å; L179-R182 WeakPolarHBondContact O-CB 3.48Å; L179-R182 PolarHBondContact O-N 3.47Å; L179-R182 VanDerWaalsContact O-N 3.08Å; L179-V183 WeakPolarHBondContact O-CG2 3.37Å; L179-V183 PolarHBondContact O-N 3.21Å
180L81.6Confident76.2Confident115 Ų115106.8 Ų106.860%0.60253%0.526SS*.Hα-helixtrans-61.4-45.9178.3-165.271.1000110.9N176 S177 R182 V183 E184N176-L180 WeakPolarHBondContact O-CB 3.4Å; N176-L180 PolarHBondContact O-N 3.19Å; S177-L180 PolarHBondContact O-N 2.81Å; L180-R182 PolarHBondContact O-N 2.8Å; L180-R182 VanDerWaalsContact O-N 3.11Å; L180-V183 PolarHBondContact O-N 2.89Å; L180-E184 PolarHBondContact O-N 2.73Å
181S83.1Confident78.1Confident56 Ų56108 Ų10839%0.39252%0.521SS..Hα-helixtrans-59.5-23175.2-61.10000113.7S177 L179 R185S177-S181 VanDerWaalsContact O-CB 3.24Å; S177-S181 WeakPolarHBondContact O-CB 3.15Å; S177-S181 PolarHBondContact O-N 3.44Å; S177-S181 PolarHBondContact O-OG 2.81Å; L179-S181 PolarHBondContact O-N 3.24Å; S181-R185 PolarHBondContact O-NE 2.96Å; S181-R185 PolarHBondContact O-NH2 3.38Å
182R83.6Confident80Confident148 Ų148104.4 Ų104.456%0.55852%0.515SS*.Hα-helixtrans-85.2-45.5175.4-172.9174-169.8143.13.1112D178 L179 L180 E184 R185 E186D178-R182 WeakPolarHBondContact O-CB 3.1Å; D178-R182 PolarHBondContact O-N 2.89Å; D178-R182 VanDerWaalsContact O-N 3.09Å; L179-R182 WeakPolarHBondContact O-CB 3.48Å; L179-R182 PolarHBondContact O-N 3.47Å; L179-R182 VanDerWaalsContact O-N 3.08Å; L180-R182 PolarHBondContact O-N 2.8Å; L180-R182 VanDerWaalsContact O-N 3.11Å; R182-E184 VanDerWaalsContact C-N 3.3Å; R182-E184 PolarHBondContact O-N 2.97Å; R182-R185 PolarHBondContact O-N 3.48Å; R182-E186 WeakPolarHBondContact CG-OE1 3.09Å; R182-E186 IonicContact NE-OE1 2.91Å; R182-E186 PolarHBondContact NE-OE1 2.77Å; R182-E186 VanDerWaalsContact NE-OE1 3.17Å; R182-E186 PolarHBondContact O-N 2.84Å
183V87Confident81.6Confident88 Ų88103.3 Ų103.353%0.53351%0.511SS..Hα-helixtrans-58.4-42.9174173.10000110.8L179 L180 R185 E186 K187L179-V183 WeakPolarHBondContact O-CG2 3.37Å; L179-V183 PolarHBondContact O-N 3.21Å; L180-V183 PolarHBondContact O-N 2.89Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 3.36Å; V183-E186 PolarHBondContact O-N 2.78Å; V183-K187 VanDerWaalsContact O-CB 3.23Å; V183-K187 WeakPolarHBondContact O-CB 3.15Å; V183-K187 PolarHBondContact O-N 3.02Å
184E84.9Confident82.8Confident78 Ų78102.7 Ų102.736%0.36451%0.507SS..Hα-helixtrans-64.7-31.7179.3-146.366.2-133.600112.8L180 R182 K187 K188L180-E184 PolarHBondContact O-N 2.73Å; R182-E184 VanDerWaalsContact C-N 3.3Å; R182-E184 PolarHBondContact O-N 2.97Å; E184-K187 WeakPolarHBondContact OE1-CD 3.49Å; E184-K187 WeakPolarHBondContact OE1-CE 3.1Å; E184-K187 IonicContact OE1-NZ 3.86Å; E184-K187 PolarHBondContact OE1-NZ 3.38Å; E184-K188 WeakPolarHBondContact O-CG 3.41Å; E184-K188 PolarHBondContact O-N 3.3Å; E184-K188 VanDerWaalsContact O-N 3.08Å
185R87.5Confident83.9Confident147 Ų147103.5 Ų103.556%0.55551%0.513SS*.Hα-helixtrans-74.9-42.5174.1-86.5-178.5-78.699.8-2.8112.6S181 R182 V183 K188 Q189S181-R185 PolarHBondContact O-NE 2.96Å; S181-R185 PolarHBondContact O-NH2 3.38Å; R182-R185 PolarHBondContact O-N 3.48Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 3.36Å; R185-K188 PolarHBondContact O-N 3.22Å; R185-Q189 PolarHBondContact O-N 2.78Å
186E84.8Confident85.1Confident80 Ų80104.8 Ų104.837%0.37452%0.515SS..Hα-helixtrans-66.2-41.3176.6-71.2171.4-160.900110.1R182 V183 Q189 Y190R182-E186 WeakPolarHBondContact CG-OE1 3.09Å; R182-E186 IonicContact NE-OE1 2.91Å; R182-E186 PolarHBondContact NE-OE1 2.77Å; R182-E186 VanDerWaalsContact NE-OE1 3.17Å; R182-E186 PolarHBondContact O-N 2.84Å; V183-E186 PolarHBondContact O-N 2.78Å; E186-Q189 WeakPolarHBondContact O-CB 3.46Å; E186-Q189 PolarHBondContact O-N 2.67Å; E186-Q189 VanDerWaalsContact O-N 3.17Å; E186-Y190 HydrophobicContact CB-CE2 4.44Å; E186-Y190 WeakPolarHBondContact O-CD2 3.19Å; E186-Y190 PolarHBondContact O-N 3.5Å
187K89.5Confident86.2Confident94 Ų94104.9 Ų104.941%0.40951%0.514SS..Hα-helixtrans-53.8-54.8169.3172.8-176.7155.3-162.40112.2V183 E184 Q189 Y190 E191V183-K187 VanDerWaalsContact O-CB 3.23Å; V183-K187 WeakPolarHBondContact O-CB 3.15Å; V183-K187 PolarHBondContact O-N 3.02Å; E184-K187 WeakPolarHBondContact OE1-CD 3.49Å; E184-K187 WeakPolarHBondContact OE1-CE 3.1Å; E184-K187 IonicContact OE1-NZ 3.86Å; E184-K187 PolarHBondContact OE1-NZ 3.38Å; K187-Q189 PolarHBondContact O-N 2.76Å; K187-Y190 CarbonylContact O-C 3.27Å; K187-Y190 WeakPolarHBondContact O-CA 3.46Å; K187-Y190 PolarHBondContact O-N 3.34Å; K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 HydrophobicContact CG-CG 4.36Å; K187-E191 WeakPolarHBondContact O-CG 3.19Å; K187-E191 PolarHBondContact O-N 3.04Å
188K90Very high87.1Confident141 Ų141105 Ų10561%0.61351%0.512SS*.Hα-helixtrans-58.9-32.5177.3-80.3-168.8174.3-168.30113.3E184 R185 E191 A192E184-K188 WeakPolarHBondContact O-CG 3.41Å; E184-K188 PolarHBondContact O-N 3.3Å; E184-K188 VanDerWaalsContact O-N 3.08Å; R185-K188 PolarHBondContact O-N 3.22Å; K188-E191 WeakPolarHBondContact CA-OE2 3.37Å; K188-A192 WeakPolarHBondContact O-CB 3.2Å; K188-A192 PolarHBondContact O-N 2.98Å
189Q89.6Confident87.8Confident143 Ų143106.5 Ų106.567%0.66852%0.516SS*.Hα-helixtrans-70.1-37.1175-170173.82.200112.1R185 E186 K187 R193R185-Q189 PolarHBondContact O-N 2.78Å; E186-Q189 WeakPolarHBondContact O-CB 3.46Å; E186-Q189 PolarHBondContact O-N 2.67Å; E186-Q189 VanDerWaalsContact O-N 3.17Å; K187-Q189 PolarHBondContact O-N 2.76Å; Q189-R193 WeakPolarHBondContact O-CB 3.44Å; Q189-R193 PolarHBondContact O-N 2.72Å; Q189-R193 VanDerWaalsContact O-N 3.16Å
190Y87.9Confident88.2Confident161 Ų161105 Ų10563%0.63151%0.511SS*.Hα-helixtrans-70.7-41.8172.2-69.2-61.5000112.6E186 K187 A192 R193 I194E186-Y190 HydrophobicContact CB-CE2 4.44Å; E186-Y190 WeakPolarHBondContact O-CD2 3.19Å; E186-Y190 PolarHBondContact O-N 3.5Å; K187-Y190 CarbonylContact O-C 3.27Å; K187-Y190 WeakPolarHBondContact O-CA 3.46Å; K187-Y190 PolarHBondContact O-N 3.34Å; Y190-A192 PolarHBondContact O-N 2.67Å; Y190-R193 PolarHBondContact O-N 3.21Å; Y190-I194 WeakPolarHBondContact O-CB 3.28Å; Y190-I194 VanDerWaalsContact O-CG1 3.26Å; Y190-I194 WeakPolarHBondContact O-CG1 3.24Å; Y190-I194 PolarHBondContact O-N 3.29Å
191E88.4Confident88.7Confident90 Ų90103.8 Ų103.842%0.42151%0.508SS..Hα-helixtrans-56.5-50.8175.1-72167.9162.800110.9K187 K188 R193 I194 S195K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 HydrophobicContact CG-CG 4.36Å; K187-E191 WeakPolarHBondContact O-CG 3.19Å; K187-E191 PolarHBondContact O-N 3.04Å; K188-E191 WeakPolarHBondContact CA-OE2 3.37Å; E191-R193 VanDerWaalsContact C-N 3.32Å; E191-R193 PolarHBondContact O-N 3.43Å; E191-I194 PolarHBondContact O-N 3.4Å; E191-S195 PolarHBondContact O-N 3.41Å; E191-S195 PolarHBondContact O-OG 2.93Å
192A88.4Confident89Confident61 Ų61106 Ų10650%0.50451%0.512SS..Hα-helixtrans-59.7-39.5175.800000113K188 Y190 S195 E196K188-A192 WeakPolarHBondContact O-CB 3.2Å; K188-A192 PolarHBondContact O-N 2.98Å; Y190-A192 PolarHBondContact O-N 2.67Å; A192-S195 PolarHBondContact O-N 3.35Å; A192-E196 WeakPolarHBondContact O-CB 3.38Å; A192-E196 PolarHBondContact O-N 3.48Å
193R89Confident89.3Confident145 Ų145102.4 Ų102.455%0.54751%0.507SS..Hα-helixtrans-70.7-30.6178.7-168.955.7160.6-169.50.2112.8Q189 Y190 E191 E196 L197Q189-R193 WeakPolarHBondContact O-CB 3.44Å; Q189-R193 PolarHBondContact O-N 2.72Å; Q189-R193 VanDerWaalsContact O-N 3.16Å; Y190-R193 PolarHBondContact O-N 3.21Å; E191-R193 VanDerWaalsContact C-N 3.32Å; E191-R193 PolarHBondContact O-N 3.43Å; R193-E196 WeakPolarHBondContact CD-OE2 3.19Å; R193-E196 IonicContact CZ-OE2 2.7Å; R193-E196 IonicContact NE-OE2 3.63Å; R193-E196 VanDerWaalsContact NH1-CD 3.33Å; R193-E196 IonicContact NH1-OE1 2.67Å; R193-E196 PolarHBondContact NH1-OE1 3.49Å; R193-E196 IonicContact NH1-OE2 2.72Å; R193-E196 PolarHBondContact NH1-OE2 3.18Å; R193-L197 WeakPolarHBondContact O-CG 3.31Å; R193-L197 PolarHBondContact O-N 2.89Å
194I90.4Very high89.4Confident105 Ų105106 Ų10654%0.53851%0.511SS..Hα-helixtrans-70-47.6172.3-70.3163000109.4Y190 E191 E196 L197 T198Y190-I194 WeakPolarHBondContact O-CB 3.28Å; Y190-I194 VanDerWaalsContact O-CG1 3.26Å; Y190-I194 WeakPolarHBondContact O-CG1 3.24Å; Y190-I194 PolarHBondContact O-N 3.29Å; E191-I194 PolarHBondContact O-N 3.4Å; I194-E196 VanDerWaalsContact C-N 3.33Å; I194-E196 PolarHBondContact O-N 2.88Å; I194-L197 PolarHBondContact O-N 3.37Å; I194-L197 VanDerWaalsContact O-N 3.12Å; I194-T198 PolarHBondContact O-N 2.84Å; I194-T198 PolarHBondContact O-OG1 3.36Å; I194-T198 VanDerWaalsContact O-OG1 3.13Å
195S90.8Very high89.7Confident76 Ų76107.6 Ų107.653%0.53152%0.517SS..Hα-helixtrans-57.3-43.2176.1-56.90000112.9E191 A192 T198 Q199E191-S195 PolarHBondContact O-N 3.41Å; E191-S195 PolarHBondContact O-OG 2.93Å; A192-S195 PolarHBondContact O-N 3.35Å; S195-T198 PolarHBondContact O-N 3.34Å; S195-Q199 PolarHBondContact O-N 2.9Å
196E92.5Very high89.8Confident97 Ų97105.9 Ų105.945%0.45352%0.517SS..Hα-helixtrans-59.1-45.3174.4-175-175.1-165.300111.7A192 R193 I194 V200A192-E196 WeakPolarHBondContact O-CB 3.38Å; A192-E196 PolarHBondContact O-N 3.48Å; R193-E196 WeakPolarHBondContact CD-OE2 3.19Å; R193-E196 IonicContact CZ-OE2 2.7Å; R193-E196 IonicContact NE-OE2 3.63Å; R193-E196 VanDerWaalsContact NH1-CD 3.33Å; R193-E196 IonicContact NH1-OE1 2.67Å; R193-E196 PolarHBondContact NH1-OE1 3.49Å; R193-E196 IonicContact NH1-OE2 2.72Å; R193-E196 PolarHBondContact NH1-OE2 3.18Å; I194-E196 VanDerWaalsContact C-N 3.33Å; I194-E196 PolarHBondContact O-N 2.88Å; E196-V200 WeakPolarHBondContact O-CG2 3.17Å; E196-V200 PolarHBondContact O-N 3.28Å; E196-V200 VanDerWaalsContact O-N 3.14Å
197L89.5Confident90.1Very high103 Ų103108.2 Ų108.254%0.53953%0.527SS..Hα-helixtrans-67.6-39.5177-80.7165.4000113R193 I194 V200 T201R193-L197 WeakPolarHBondContact O-CG 3.31Å; R193-L197 PolarHBondContact O-N 2.89Å; I194-L197 PolarHBondContact O-N 3.37Å; I194-L197 VanDerWaalsContact O-N 3.12Å; L197-V200 PolarHBondContact O-N 3.36Å; L197-T201 WeakPolarHBondContact O-CB 3.2Å; L197-T201 PolarHBondContact O-N 3.39Å; L197-T201 PolarHBondContact O-OG1 3.39Å
198T92.6Very high90.2Very high71 Ų71108.7 Ų108.744%0.43653%0.533SS..Hα-helixtrans-61.2-49175.3-60.80000110.4I194 S195 V200 T201 E202I194-T198 PolarHBondContact O-N 2.84Å; I194-T198 PolarHBondContact O-OG1 3.36Å; I194-T198 VanDerWaalsContact O-OG1 3.13Å; S195-T198 PolarHBondContact O-N 3.34Å; T198-V200 VanDerWaalsContact C-N 3.33Å; T198-V200 PolarHBondContact O-N 3.04Å; T198-T201 WeakPolarHBondContact O-CA 3.3Å; T198-T201 WeakPolarHBondContact O-CB 3.43Å; T198-T201 PolarHBondContact O-N 2.88Å; T198-E202 PolarHBondContact O-N 3.27Å
199Q91.1Very high90.3Very high139 Ų139106.8 Ų106.865%0.6553%0.526SS*.Hα-helixtrans-61.3-38.7179.3-168.8177.525.400112.9S195 T201 T203S195-Q199 PolarHBondContact O-N 2.9Å; Q199-T201 VanDerWaalsContact C-N 3.28Å; Q199-T201 PolarHBondContact O-N 2.94Å; Q199-T203 PolarHBondContact O-N 2.88Å; Q199-T203 VanDerWaalsContact O-N 3.1Å; Q199-T203 PolarHBondContact O-OG1 3.43Å
200V90.3Very high90.5Very high67 Ų67105.3 Ų105.341%0.40652%0.518SS..Hα-helixtrans-68-28173.9170.50000112.2E196 L197 T198 T203 R204E196-V200 WeakPolarHBondContact O-CG2 3.17Å; E196-V200 PolarHBondContact O-N 3.28Å; E196-V200 VanDerWaalsContact O-N 3.14Å; L197-V200 PolarHBondContact O-N 3.36Å; T198-V200 VanDerWaalsContact C-N 3.33Å; T198-V200 PolarHBondContact O-N 3.04Å; V200-T203 WeakPolarHBondContact CA-OG1 3.5Å; V200-T203 PolarHBondContact O-OG1 3.09Å; V200-R204 PolarHBondContact O-N 3.19Å
201T92.4Very high90.7Very high90 Ų90102 Ų10255%0.55251%0.511SS*.Hα-helixtrans-77.3-44.8176.6-53.80000110.9L197 T198 Q199 T203 R204 K205L197-T201 WeakPolarHBondContact O-CB 3.2Å; L197-T201 PolarHBondContact O-N 3.39Å; L197-T201 PolarHBondContact O-OG1 3.39Å; T198-T201 WeakPolarHBondContact O-CA 3.3Å; T198-T201 WeakPolarHBondContact O-CB 3.43Å; T198-T201 PolarHBondContact O-N 2.88Å; Q199-T201 VanDerWaalsContact C-N 3.28Å; Q199-T201 PolarHBondContact O-N 2.94Å; T201-T203 PolarHBondContact O-N 3.3Å; T201-R204 PolarHBondContact O-N 2.68Å; T201-K205 PolarHBondContact O-N 3.27Å
202E89.7Confident90.9Very high101 Ų101100.9 Ų100.947%0.47251%0.51SS..Hα-helixtrans-58.7-45.8176.5-137.868.3-111.300111.9T198 R204 K205 M206T198-E202 PolarHBondContact O-N 3.27Å; E202-R204 PolarHBondContact O-N 2.69Å; E202-K205 WeakPolarHBondContact O-CB 3.41Å; E202-K205 PolarHBondContact O-N 3.07Å; E202-M206 PolarHBondContact O-N 2.96Å; E202-M206 VanDerWaalsContact O-N 3.09Å
203T90.1Very high91.1Very high74 Ų74104.1 Ų104.145%0.45451%0.513SS..Hα-helixtrans-64.9-37.1176.8460000112.6Q199 V200 T201 M206 E207Q199-T203 PolarHBondContact O-N 2.88Å; Q199-T203 VanDerWaalsContact O-N 3.1Å; Q199-T203 PolarHBondContact O-OG1 3.43Å; V200-T203 WeakPolarHBondContact CA-OG1 3.5Å; V200-T203 PolarHBondContact O-OG1 3.09Å; T201-T203 PolarHBondContact O-N 3.3Å; T203-M206 HydrophobicContact CG2-CE 4.19Å; T203-E207 PolarHBondContact O-N 2.83Å; T203-E207 VanDerWaalsContact O-N 3.16Å
204R88.9Confident91.2Very high164 Ų164101.8 Ų101.862%0.61951%0.508SS*.Hα-helixtrans-65.8-37.9170.5-94.9-171.5163.4100-0.5113.2V200 T201 E202 E207 I208V200-R204 PolarHBondContact O-N 3.19Å; T201-R204 PolarHBondContact O-N 2.68Å; E202-R204 PolarHBondContact O-N 2.69Å; R204-E207 PolarHBondContact O-N 3.44Å; R204-I208 WeakPolarHBondContact O-CB 3.49Å; R204-I208 WeakPolarHBondContact O-CD1 3.45Å; R204-I208 VanDerWaalsContact O-CG1 3.25Å; R204-I208 WeakPolarHBondContact O-CG1 3.22Å; R204-I208 PolarHBondContact O-N 3.47Å
205K91Very high91.2Very high110 Ų110101.5 Ų101.548%0.47851%0.511SS..Hα-helixtrans-61.3-49177.7-170.9-179.9-175.3-85.80110.8T201 E202 E207 I208 E209T201-K205 PolarHBondContact O-N 3.27Å; E202-K205 WeakPolarHBondContact O-CB 3.41Å; E202-K205 PolarHBondContact O-N 3.07Å; K205-E207 VanDerWaalsContact C-N 3.34Å; K205-E207 PolarHBondContact O-N 2.87Å; K205-I208 PolarHBondContact O-N 3.23Å; K205-E209 IonicContact NZ-OE1 3.65Å; K205-E209 PolarHBondContact NZ-OE1 3.41Å; K205-E209 PolarHBondContact O-N 2.9Å
206M89.5Confident91.3Very high112 Ų112105 Ų10555%0.55251%0.513SS*.Hα-helixtrans-60.7-39.2176.6-70.1-175.3-73.600112.8E202 T203 E209 K210E202-M206 PolarHBondContact O-N 2.96Å; E202-M206 VanDerWaalsContact O-N 3.09Å; T203-M206 HydrophobicContact CG2-CE 4.19Å; M206-E209 PolarHBondContact O-N 3.48Å; M206-K210 WeakPolarHBondContact O-CB 3.05Å; M206-K210 PolarHBondContact O-N 2.95Å
207E91.2Very high91.3Very high128 Ų128107.2 Ų107.260%0.59852%0.517SS*.Hα-helixtrans-70.5-34.5177.2-169.7160.8-139.300112.5T203 R204 K205 L211T203-E207 PolarHBondContact O-N 2.83Å; T203-E207 VanDerWaalsContact O-N 3.16Å; R204-E207 PolarHBondContact O-N 3.44Å; K205-E207 VanDerWaalsContact C-N 3.34Å; K205-E207 PolarHBondContact O-N 2.87Å; E207-L211 HydrophobicContact CG-CD1 4.29Å; E207-L211 WeakPolarHBondContact O-CB 3.43Å; E207-L211 VanDerWaalsContact O-CG 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.36Å; E207-L211 PolarHBondContact O-N 2.95Å
208I90.9Very high91.1Very high105 Ų105105 Ų10554%0.53851%0.514SS..Hα-helixtrans-66.4-44.4172.1-70.3164.8000111.2R204 K205 L211 T212R204-I208 WeakPolarHBondContact O-CB 3.49Å; R204-I208 WeakPolarHBondContact O-CD1 3.45Å; R204-I208 VanDerWaalsContact O-CG1 3.25Å; R204-I208 WeakPolarHBondContact O-CG1 3.22Å; R204-I208 PolarHBondContact O-N 3.47Å; K205-I208 PolarHBondContact O-N 3.23Å; I208-L211 PolarHBondContact O-N 3.19Å; I208-T212 WeakPolarHBondContact O-CB 3.47Å; I208-T212 PolarHBondContact O-N 3.37Å; I208-T212 PolarHBondContact O-OG1 3.15Å
209E91.4Very high91Very high100 Ų100109.1 Ų109.147%0.46753%0.526SS..Hα-helixtrans-61.3-45176.5-78169-179.500111.1K205 M206 L211 T212 F213K205-E209 IonicContact NZ-OE1 3.65Å; K205-E209 PolarHBondContact NZ-OE1 3.41Å; K205-E209 PolarHBondContact O-N 2.9Å; M206-E209 PolarHBondContact O-N 3.48Å; E209-L211 PolarHBondContact O-N 3.46Å; E209-T212 PolarHBondContact O-N 2.78Å; E209-F213 PolarHBondContact O-N 3.1Å
210K93.8Very high91Very high112 Ų112108.3 Ų108.349%0.48752%0.522SS..Hα-helixtrans-57.5-49.8174.2179.8-176.1173.4-68.30112.1M206 T212 F213 E214M206-K210 WeakPolarHBondContact O-CB 3.05Å; M206-K210 PolarHBondContact O-N 2.95Å; K210-T212 VanDerWaalsContact C-N 3.32Å; K210-T212 PolarHBondContact O-N 2.83Å; K210-F213 PolarHBondContact O-N 2.78Å; K210-E214 WeakPolarHBondContact CE-OE1 3.23Å; K210-E214 IonicContact NZ-OE1 3.25Å; K210-E214 PolarHBondContact NZ-OE1 3.2Å; K210-E214 IonicContact NZ-OE2 3.4Å; K210-E214 PolarHBondContact NZ-OE2 2.97Å; K210-E214 PolarHBondContact O-N 3.16Å
211L92.9Very high90.9Very high92 Ų92110.2 Ų110.248%0.48253%0.526SS..Hα-helixtrans-65-36.5179-72.8168.9000111.8E207 I208 E209 F213 E214 V215E207-L211 HydrophobicContact CG-CD1 4.29Å; E207-L211 WeakPolarHBondContact O-CB 3.43Å; E207-L211 VanDerWaalsContact O-CG 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.36Å; E207-L211 PolarHBondContact O-N 2.95Å; I208-L211 PolarHBondContact O-N 3.19Å; E209-L211 PolarHBondContact O-N 3.46Å; L211-F213 VanDerWaalsContact C-N 3.34Å; L211-F213 PolarHBondContact O-N 2.95Å; L211-E214 PolarHBondContact O-N 2.95Å; L211-V215 WeakPolarHBondContact O-CB 3.14Å; L211-V215 VanDerWaalsContact O-CG2 3.32Å; L211-V215 WeakPolarHBondContact O-CG2 3.21Å; L211-V215 PolarHBondContact O-N 3.09Å
212T93.4Very high90.7Very high67 Ų67108.3 Ų108.341%0.41152%0.52SS..Hα-helixtrans-63.7-39.7174.9-55.50000111.5I208 E209 K210 R216I208-T212 WeakPolarHBondContact O-CB 3.47Å; I208-T212 PolarHBondContact O-N 3.37Å; I208-T212 PolarHBondContact O-OG1 3.15Å; E209-T212 PolarHBondContact O-N 2.78Å; K210-T212 VanDerWaalsContact C-N 3.32Å; K210-T212 PolarHBondContact O-N 2.83Å; T212-R216 WeakPolarHBondContact O-CB 3.43Å; T212-R216 PolarHBondContact O-N 2.79Å
213F92.4Very high90.7Very high129 Ų129106.6 Ų106.657%0.56652%0.519SS*.Hα-helixtrans-66.8-44.6174.6-168.5-83.5000112.2E209 K210 L211 V215 R216 R217E209-F213 PolarHBondContact O-N 3.1Å; K210-F213 PolarHBondContact O-N 2.78Å; L211-F213 VanDerWaalsContact C-N 3.34Å; L211-F213 PolarHBondContact O-N 2.95Å; F213-V215 VanDerWaalsContact C-N 3.34Å; F213-V215 PolarHBondContact O-N 3.38Å; F213-R216 PolarHBondContact O-N 2.63Å; F213-R217 WeakPolarHBondContact O-CB 3.44Å; F213-R217 PolarHBondContact O-N 2.86Å
214E91Very high90.8Very high95 Ų95110 Ų11044%0.44453%0.527SS..Hα-helixtrans-61-40.8175.8-75175.516600111.9K210 L211 A218K210-E214 WeakPolarHBondContact CE-OE1 3.23Å; K210-E214 IonicContact NZ-OE1 3.25Å; K210-E214 PolarHBondContact NZ-OE1 3.2Å; K210-E214 IonicContact NZ-OE2 3.4Å; K210-E214 PolarHBondContact NZ-OE2 2.97Å; K210-E214 PolarHBondContact O-N 3.16Å; L211-E214 PolarHBondContact O-N 2.95Å; E214-A218 WeakPolarHBondContact O-CB 3.33Å; E214-A218 PolarHBondContact O-N 3.37Å
215V91.1Very high90.7Very high100 Ų100104.7 Ų104.761%0.60652%0.519SS*.Hα-helixtrans-65.1-43.7174.1168.10000111.9L211 F213 A218 K219L211-V215 WeakPolarHBondContact O-CB 3.14Å; L211-V215 VanDerWaalsContact O-CG2 3.32Å; L211-V215 WeakPolarHBondContact O-CG2 3.21Å; L211-V215 PolarHBondContact O-N 3.09Å; F213-V215 VanDerWaalsContact C-N 3.34Å; F213-V215 PolarHBondContact O-N 3.38Å; V215-A218 PolarHBondContact O-N 2.91Å; V215-K219 WeakPolarHBondContact O-CB 3.34Å; V215-K219 PolarHBondContact O-N 2.88Å
216R91.2Very high90.6Very high148 Ų148104.2 Ų104.256%0.55852%0.521SS*.Hα-helixtrans-60.4-48178.6-166.3-174.2-60.6117.6-3.7110.9T212 F213 K219 E220T212-R216 WeakPolarHBondContact O-CB 3.43Å; T212-R216 PolarHBondContact O-N 2.79Å; F213-R216 PolarHBondContact O-N 2.63Å; R216-K219 WeakPolarHBondContact O-CB 3.44Å; R216-K219 PolarHBondContact O-N 3.49Å; R216-E220 PolarHBondContact O-N 3.23Å; R216-E220 VanDerWaalsContact O-N 3.09Å
217R92.3Very high90.6Very high144 Ų144104.3 Ų104.354%0.54352%0.523SS..Hα-helixtrans-60.3-45.6176.1179.8-178.7171.8153.96.6112.5F213 K219 E220 E221F213-R217 WeakPolarHBondContact O-CB 3.44Å; F213-R217 PolarHBondContact O-N 2.86Å; R217-K219 VanDerWaalsContact C-N 3.27Å; R217-K219 PolarHBondContact O-N 3.33Å; R217-E220 PolarHBondContact O-N 3.25Å; R217-E221 IonicContact CZ-OE1 3.77Å; R217-E221 IonicContact NE-OE1 3.47Å; R217-E221 PolarHBondContact NE-OE1 3.46Å; R217-E221 IonicContact NH2-OE1 2.66Å; R217-E221 PolarHBondContact NH2-OE1 3.2Å; R217-E221 PolarHBondContact O-N 3.01Å
218A87Confident90.4Very high57 Ų57103.1 Ų103.147%0.47152%0.52SS..Hα-helixtrans-63.6-33.4178.700000112.4E214 V215 A222E214-A218 WeakPolarHBondContact O-CB 3.33Å; E214-A218 PolarHBondContact O-N 3.37Å; V215-A218 PolarHBondContact O-N 2.91Å; A218-A222 WeakPolarHBondContact O-CB 3.31Å; A218-A222 PolarHBondContact O-N 2.98Å
219K89.9Confident90Very high158 Ų158101.8 Ų101.869%0.68752%0.517SS*.Hα-helixtrans-67.8-39.3174.3-159.9-178-176.1-170.50111.6V215 R216 R217 A222 S223V215-K219 WeakPolarHBondContact O-CB 3.34Å; V215-K219 PolarHBondContact O-N 2.88Å; R216-K219 WeakPolarHBondContact O-CB 3.44Å; R216-K219 PolarHBondContact O-N 3.49Å; R217-K219 VanDerWaalsContact C-N 3.27Å; R217-K219 PolarHBondContact O-N 3.33Å; K219-A222 WeakPolarHBondContact O-CB 3.36Å; K219-A222 PolarHBondContact O-N 2.62Å; K219-S223 PolarHBondContact O-N 2.9Å; K219-S223 PolarHBondContact O-OG 3.03Å
220E90.7Very high89.8Confident122 Ų122101.5 Ų101.557%0.5752%0.515SS*.Hα-helixtrans-71.1-40.8178.3-170.2172.3-143.100112.9R216 R217 A222 S223 K224R216-E220 PolarHBondContact O-N 3.23Å; R216-E220 VanDerWaalsContact O-N 3.09Å; R217-E220 PolarHBondContact O-N 3.25Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.96Å; E220-S223 PolarHBondContact O-N 3.31Å; E220-K224 PolarHBondContact O-N 3.06Å; E220-K224 VanDerWaalsContact O-N 3.09Å
221E89Confident89.3Confident106 Ų106102.3 Ų102.350%0.49552%0.521SS..Hα-helixtrans-62.2-37.3170.2-73.1176.3-172.600111.2R217 K224 A225R217-E221 IonicContact CZ-OE1 3.77Å; R217-E221 IonicContact NE-OE1 3.47Å; R217-E221 PolarHBondContact NE-OE1 3.46Å; R217-E221 IonicContact NH2-OE1 2.66Å; R217-E221 PolarHBondContact NH2-OE1 3.2Å; R217-E221 PolarHBondContact O-N 3.01Å; E221-K224 PolarHBondContact O-N 3.08Å; E221-A225 PolarHBondContact O-N 3.44Å; E221-A225 VanDerWaalsContact O-N 3.11Å
222A86.5Confident88.8Confident50 Ų50101 Ų10141%0.41352%0.517SS..Hα-helixtrans-66.9-42.5173.900000113.1A218 K219 E220 K224 A225 I226A218-A222 WeakPolarHBondContact O-CB 3.31Å; A218-A222 PolarHBondContact O-N 2.98Å; K219-A222 WeakPolarHBondContact O-CB 3.36Å; K219-A222 PolarHBondContact O-N 2.62Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.96Å; A222-K224 VanDerWaalsContact C-N 3.34Å; A222-K224 PolarHBondContact O-N 3.01Å; A222-A225 WeakPolarHBondContact O-CB 3.32Å; A222-A225 PolarHBondContact O-N 2.92Å; A222-I226 WeakPolarHBondContact O-CG1 3.41Å; A222-I226 PolarHBondContact O-N 3.01Å
223S90.9Very high88.5Confident66 Ų66103.3 Ų103.346%0.46252%0.521SS..Hα-helixtrans-60.8-40.1174.7-72.60000112.5K219 E220 A225 I226 L227K219-S223 PolarHBondContact O-N 2.9Å; K219-S223 PolarHBondContact O-OG 3.03Å; E220-S223 PolarHBondContact O-N 3.31Å; S223-A225 PolarHBondContact O-N 3.24Å; S223-I226 PolarHBondContact O-N 3.05Å; S223-L227 PolarHBondContact O-N 3.01Å; S223-L227 VanDerWaalsContact O-N 3.16Å
224K91.4Very high88.3Confident144 Ų144102.6 Ų102.663%0.62652%0.523SS*.Hα-helixtrans-63.8-37.9173.4-79.3-178.8174.1173.20113E220 E221 A222 I226 L227 L228E220-K224 PolarHBondContact O-N 3.06Å; E220-K224 VanDerWaalsContact O-N 3.09Å; E221-K224 PolarHBondContact O-N 3.08Å; A222-K224 VanDerWaalsContact C-N 3.34Å; A222-K224 PolarHBondContact O-N 3.01Å; K224-I226 VanDerWaalsContact C-N 3.35Å; K224-L227 PolarHBondContact O-N 3.44Å; K224-L228 PolarHBondContact O-N 3.32Å
225A86.2Confident87.8Confident54 Ų54103.9 Ų103.945%0.44653%0.529SS..Hα-helixtrans-65.8-36.2175.400000112.6E221 A222 S223 T229E221-A225 PolarHBondContact O-N 3.44Å; E221-A225 VanDerWaalsContact O-N 3.11Å; A222-A225 WeakPolarHBondContact O-CB 3.32Å; A222-A225 PolarHBondContact O-N 2.92Å; S223-A225 PolarHBondContact O-N 3.24Å; A225-T229 PolarHBondContact O-N 3.46Å; A225-T229 VanDerWaalsContact O-N 3.14Å; A225-T229 PolarHBondContact O-OG1 2.83Å
226I89.7Confident87.2Confident99 Ų99103.6 Ų103.651%0.50852%0.524SS..Hα-helixtrans-64.1-49.2175.7-67.4166.8000110.5A222 S223 K224 L228 T229 E230A222-I226 WeakPolarHBondContact O-CG1 3.41Å; A222-I226 PolarHBondContact O-N 3.01Å; S223-I226 PolarHBondContact O-N 3.05Å; K224-I226 VanDerWaalsContact C-N 3.35Å; I226-L228 PolarHBondContact O-N 3.46Å; I226-T229 CarbonylContact O-C 3.59Å; I226-T229 WeakPolarHBondContact O-CA 3.35Å; I226-T229 VanDerWaalsContact O-CB 3.3Å; I226-T229 WeakPolarHBondContact O-CB 3.33Å; I226-T229 PolarHBondContact O-N 2.71Å; I226-E230 PolarHBondContact O-N 2.87Å
227L89.2Confident86.9Confident115 Ų115100.7 Ų100.760%0.60252%0.518SS*.Hα-helixtrans-57.9-45.7178.8-73.1170.7000112.6S223 K224 T229 E230 E231S223-L227 PolarHBondContact O-N 3.01Å; S223-L227 VanDerWaalsContact O-N 3.16Å; K224-L227 PolarHBondContact O-N 3.44Å; L227-T229 PolarHBondContact O-N 3.33Å; L227-E230 PolarHBondContact O-N 2.87Å; L227-E231 PolarHBondContact O-N 3.31Å
228L86.5Confident86.4Confident103 Ų10399.8 Ų99.854%0.53952%0.521SS..Hα-helixtrans-59.4-30.9172.9-92.5164.2000113.1K224 I226 E230 T232K224-L228 PolarHBondContact O-N 3.32Å; I226-L228 PolarHBondContact O-N 3.46Å; L228-E230 VanDerWaalsContact C-N 3.31Å; L228-T232 WeakPolarHBondContact O-CB 3.39Å; L228-T232 WeakPolarHBondContact O-CG2 3.36Å; L228-T232 PolarHBondContact O-N 3.34Å; L228-T232 PolarHBondContact O-OG1 2.85Å
229T83.8Confident86.1Confident76 Ų76101.6 Ų101.647%0.46652%0.522SS..Hα-helixtrans-78-15.8176.2-49.60000112.5A225 I226 L227 K233A225-T229 PolarHBondContact O-N 3.46Å; A225-T229 VanDerWaalsContact O-N 3.14Å; A225-T229 PolarHBondContact O-OG1 2.83Å; I226-T229 CarbonylContact O-C 3.59Å; I226-T229 WeakPolarHBondContact O-CA 3.35Å; I226-T229 VanDerWaalsContact O-CB 3.3Å; I226-T229 WeakPolarHBondContact O-CB 3.33Å; I226-T229 PolarHBondContact O-N 2.71Å; L227-T229 PolarHBondContact O-N 3.33Å; T229-K233 VanDerWaalsContact O-CD 3.31Å; T229-K233 WeakPolarHBondContact O-CD 3.29Å; T229-K233 WeakPolarHBondContact O-CE 3.38Å; T229-K233 WeakPolarHBondContact O-CG 3.38Å
230E86.7Confident85.6Confident94 Ų94102.7 Ų102.744%0.43952%0.522SS..Hα-helixtrans-95.9-38.2174.6-68.7-175.2129.700111.9I226 L227 L228 T232 K233 L234I226-E230 PolarHBondContact O-N 2.87Å; L227-E230 PolarHBondContact O-N 2.87Å; L228-E230 VanDerWaalsContact C-N 3.31Å; E230-T232 PolarHBondContact O-N 3.01Å; E230-K233 WeakPolarHBondContact O-CB 3.43Å; E230-K233 PolarHBondContact O-N 3.42Å; E230-K233 VanDerWaalsContact O-N 3.12Å; E230-L234 WeakPolarHBondContact O-CG 3.19Å; E230-L234 PolarHBondContact O-N 2.85Å
231E83.9Confident84.9Confident130 Ų130101.3 Ų101.361%0.60752%0.518SS*.Hα-helixtrans-56.4-49.7169.6-173.1171-143.200111.2L227 K233 L234 E235L227-E231 PolarHBondContact O-N 3.31Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.29Å; E231-L234 PolarHBondContact O-N 3.12Å; E231-L234 VanDerWaalsContact O-N 3.14Å; E231-E235 PolarHBondContact O-N 3.21Å
232T82.8Confident84.3Confident65 Ų65101.3 Ų101.340%0.39952%0.518SS..Hα-helixtrans-67.9-21176.151.80000114.3L228 E230 N236L228-T232 WeakPolarHBondContact O-CB 3.39Å; L228-T232 WeakPolarHBondContact O-CG2 3.36Å; L228-T232 PolarHBondContact O-N 3.34Å; L228-T232 PolarHBondContact O-OG1 2.85Å; E230-T232 PolarHBondContact O-N 3.01Å; T232-N236 WeakPolarHBondContact O-CB 3.33Å; T232-N236 PolarHBondContact O-N 3.22Å; T232-N236 PolarHBondContact O-ND2 3.42Å
233K86.6Confident83.5Confident114 Ų114105.4 Ų105.450%0.49653%0.532SS..Hα-helixtrans-75.4-44.6168-77.9169.1-166.8164.50111.3T229 E230 E231 E235 N236 I237T229-K233 VanDerWaalsContact O-CD 3.31Å; T229-K233 WeakPolarHBondContact O-CD 3.29Å; T229-K233 WeakPolarHBondContact O-CE 3.38Å; T229-K233 WeakPolarHBondContact O-CG 3.38Å; E230-K233 WeakPolarHBondContact O-CB 3.43Å; E230-K233 PolarHBondContact O-N 3.42Å; E230-K233 VanDerWaalsContact O-N 3.12Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.29Å; K233-E235 VanDerWaalsContact C-N 3.33Å; K233-N236 WeakPolarHBondContact O-CB 3.44Å; K233-N236 PolarHBondContact O-N 3.47Å; K233-I237 VanDerWaalsContact O-CG1 3.31Å; K233-I237 WeakPolarHBondContact O-CG1 3.12Å; K233-I237 PolarHBondContact O-N 2.93Å
234L86.9Confident82.3Confident114 Ų114108.3 Ų108.360%0.59754%0.542SS*.Hα-helixtrans-62.6-42.5178.1-71.5171.8000110.6E230 E231 N236 I237 Q238E230-L234 WeakPolarHBondContact O-CG 3.19Å; E230-L234 PolarHBondContact O-N 2.85Å; E231-L234 PolarHBondContact O-N 3.12Å; E231-L234 VanDerWaalsContact O-N 3.14Å; L234-N236 PolarHBondContact O-N 3.47Å; L234-I237 PolarHBondContact O-N 3.38Å; L234-I237 VanDerWaalsContact O-N 3.17Å; L234-Q238 WeakPolarHBondContact O-CB 3.47Å; L234-Q238 PolarHBondContact O-N 3.04Å
235E80.8Confident80.8Confident122 Ų122105.2 Ų105.257%0.5754%0.543SS*.Hα-helixtrans-60.2-43.2172.2-169.3-179.9-137.900111.7E231 K233 I237 Q238 L239E231-E235 PolarHBondContact O-N 3.21Å; K233-E235 VanDerWaalsContact C-N 3.33Å; E235-I237 PolarHBondContact O-N 2.88Å; E235-Q238 PolarHBondContact O-N 3.43Å; E235-L239 HydrophobicContact CG-CD1 4.35Å; E235-L239 WeakPolarHBondContact O-CB 3.41Å; E235-L239 WeakPolarHBondContact O-CG 3.45Å; E235-L239 PolarHBondContact O-N 2.6Å
236N78.2Confident79.2Confident94 Ų94109.8 Ų109.850%0.50356%0.559SS.*Hα-helixtrans-62.6-38.2173.1-96.9-93.1000113.4T232 K233 L234 R240T232-N236 WeakPolarHBondContact O-CB 3.33Å; T232-N236 PolarHBondContact O-N 3.22Å; T232-N236 PolarHBondContact O-ND2 3.42Å; K233-N236 WeakPolarHBondContact O-CB 3.44Å; K233-N236 PolarHBondContact O-N 3.47Å; L234-N236 PolarHBondContact O-N 3.47Å; N236-R240 WeakPolarHBondContact O-CB 3.46Å; N236-R240 WeakPolarHBondContact O-CG 3.37Å; N236-R240 PolarHBondContact O-N 3.25Å
237I86.4Confident76.8Confident87 Ų87107.8 Ų107.845%0.44656%0.563SS.*Hα-helixtrans-67.4-41.6175.4-70.8162.6000109.8K233 L234 E235 R240 N241K233-I237 VanDerWaalsContact O-CG1 3.31Å; K233-I237 WeakPolarHBondContact O-CG1 3.12Å; K233-I237 PolarHBondContact O-N 2.93Å; L234-I237 PolarHBondContact O-N 3.38Å; L234-I237 VanDerWaalsContact O-N 3.17Å; E235-I237 PolarHBondContact O-N 2.88Å; I237-R240 PolarHBondContact O-N 2.96Å; I237-N241 WeakPolarHBondContact O-CB 3.29Å; I237-N241 PolarHBondContact O-N 2.9Å; I237-N241 PolarHBondContact O-ND2 3.04Å; I237-N241 PolarHBondContact O-OD1 3.39Å
238Q81.8Confident74.4Confident126 Ų126107 Ų10759%0.58957%0.567SS**Hα-helixtrans-66.5-41.1177.8-170.2155.6-35.500111.9L234 E235 N241 Q242L234-Q238 WeakPolarHBondContact O-CB 3.47Å; L234-Q238 PolarHBondContact O-N 3.04Å; E235-Q238 PolarHBondContact O-N 3.43Å; Q238-N241 PolarHBondContact O-N 3.08Å; Q238-Q242 WeakPolarHBondContact O-CG 3.44Å; Q238-Q242 PolarHBondContact O-N 3.43Å
239L80.5Confident72Confident94 Ų94108 Ų10849%0.49258%0.58SS.*Hα-helixtrans-63.6-41.5171.8-71.5168.4000112E235 Q242 L243E235-L239 HydrophobicContact CG-CD1 4.35Å; E235-L239 WeakPolarHBondContact O-CB 3.41Å; E235-L239 WeakPolarHBondContact O-CG 3.45Å; E235-L239 PolarHBondContact O-N 2.6Å; L239-Q242 PolarHBondContact O-N 2.76Å; L239-L243 PolarHBondContact O-N 3.41Å
240R78.6Confident69.3Low182 Ų182110.5 Ų110.569%0.68760%0.599SS**Hα-helixtrans-62-41.4172.4-80.1179.4171.5-148.6-2.4112.3N236 I237 L243 L244N236-R240 WeakPolarHBondContact O-CB 3.46Å; N236-R240 WeakPolarHBondContact O-CG 3.37Å; N236-R240 PolarHBondContact O-N 3.25Å; I237-R240 PolarHBondContact O-N 2.96Å; R240-L243 WeakPolarHBondContact O-CB 3.32Å; R240-L243 PolarHBondContact O-N 2.84Å; R240-L244 WeakPolarHBondContact O-CG 3.47Å; R240-L244 PolarHBondContact O-N 2.86Å
241N76.3Confident66.7Low92 Ų92115.5 Ų115.549%0.49262%0.619SS.*Hα-helixtrans-69.8-34.9179.1-70.4-11.3000111.8I237 Q238 L244 A245I237-N241 WeakPolarHBondContact O-CB 3.29Å; I237-N241 PolarHBondContact O-N 2.9Å; I237-N241 PolarHBondContact O-ND2 3.04Å; I237-N241 PolarHBondContact O-OD1 3.39Å; Q238-N241 PolarHBondContact O-N 3.08Å; N241-L244 PolarHBondContact O-N 3.02Å; N241-A245 WeakPolarHBondContact O-CB 3.45Å; N241-A245 PolarHBondContact O-N 3.23Å
242Q76.1Confident64.1Low106 Ų106118.7 Ų118.750%0.49563%0.631SS.*Hα-helixtrans-65-40.6169.3-73.6175.81.700111.7Q238 L239 L244 A245 L246Q238-Q242 WeakPolarHBondContact O-CG 3.44Å; Q238-Q242 PolarHBondContact O-N 3.43Å; L239-Q242 PolarHBondContact O-N 2.76Å; Q242-L244 VanDerWaalsContact C-N 3.31Å; Q242-L244 PolarHBondContact O-N 3.09Å; Q242-A245 PolarHBondContact O-N 3.28Å; Q242-L246 WeakPolarHBondContact O-CG 3.3Å; Q242-L246 PolarHBondContact O-N 2.93Å; Q242-L246 VanDerWaalsContact O-N 3.09Å
243L70.2Confident61.5Low137 Ų137123.3 Ų123.372%0.71765%0.653SS**Hα-helixtrans-61.9-38.3174.3-138.679.9000112.2L239 R240L239-L243 PolarHBondContact O-N 3.41Å; R240-L243 WeakPolarHBondContact O-CB 3.32Å; R240-L243 PolarHBondContact O-N 2.84Å
244L65.8Low58.9Low127 Ų127121.6 Ų121.667%0.66567%0.668SS**Hα-helixtrans-71.5-38.1174.6-75.8164.6000112.6R240 N241 Q242 L246 G247R240-L244 WeakPolarHBondContact O-CG 3.47Å; R240-L244 PolarHBondContact O-N 2.86Å; N241-L244 PolarHBondContact O-N 3.02Å; Q242-L244 VanDerWaalsContact C-N 3.31Å; Q242-L244 PolarHBondContact O-N 3.09Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.47Å; L244-G247 WeakPolarHBondContact O-CA 3.45Å; L244-G247 PolarHBondContact O-N 3.45Å
245A59.9Low56.3Low79 Ų79123.7 Ų123.765%0.65368%0.68SS**Hα-helixtrans-66.3-29.4177.400000112.9N241 Q242 G247N241-A245 WeakPolarHBondContact O-CB 3.45Å; N241-A245 PolarHBondContact O-N 3.23Å; Q242-A245 PolarHBondContact O-N 3.28Å; A245-G247 PolarHBondContact O-N 2.99Å
246L52.3Low53.9Low150 Ų150126.9 Ų126.979%0.78569%0.694SS**THydrogen-bonded Turntrans-76-8.6169.9-66.6172.4000113.1Q242 L244 S248Q242-L246 WeakPolarHBondContact O-CG 3.3Å; Q242-L246 PolarHBondContact O-N 2.93Å; Q242-L246 VanDerWaalsContact O-N 3.09Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.47Å; L246-S248 VanDerWaalsContact C-N 3.27Å; L246-S248 PolarHBondContact O-N 3.27Å
247G39.6Very low51.8Low56 Ų56126.2 Ų126.258%0.57771%0.71SS**  trans-78.854.6177.600000114.6L244 A245L244-G247 WeakPolarHBondContact O-CA 3.45Å; L244-G247 PolarHBondContact O-N 3.45Å; A245-G247 PolarHBondContact O-N 2.99Å
248S38.2Very low49.3Very low99 Ų99127.8 Ų127.869%0.69273%0.728SS**  trans-68.7135.7171.6-82.50000112L246 C250L246-S248 VanDerWaalsContact C-N 3.27Å; L246-S248 PolarHBondContact O-N 3.27Å; S248-C250 PolarHBondContact O-N 2.9Å
249P36Very low46.6Very low124 Ų124127.1 Ų127.181%0.80574%0.736SS**  trans-78.4116.4-163.329.1-35.5000113.3K251P249-K251 PolarHBondContact O-N 3.16Å
250C28.2Very low44.4Very low129 Ų129128.9 Ų128.987%0.87275%0.751SS**  trans-70.2112.4167.5-72.20000110.6S248S248-C250 PolarHBondContact O-N 2.9Å
251K31.2Very low42Very low199 Ų199128.1 Ų128.187%0.86576%0.755SS**  trans-67.4129.1161.9-65179.5179.3-1800109.6P249P249-K251 PolarHBondContact O-N 3.16Å
252K30.4Very low39.9Very low197 Ų197129.2 Ų129.286%0.85777%0.77SS**  -172.1151.7127-106.4168.2-176.1-178.10113.9
253D28.3Very low37.6Very low162 Ų162133.1 Ų133.187%0.86679%0.788SS**  trans-69.8153.6176.8-37.2-98.3000111.2
254G31.3Very low35.9Very low77 Ų77136 Ų13679%0.79480%0.798SS**  trans-16713.8-169.400000121.5
255D31.6Very low34Very low159 Ų159136.3 Ų136.385%0.8580%0.8SS**  trans56.9-176.8161.8-141.6-16000119.3
256Q30.7Very low32.8Very low188 Ų188139.2 Ų139.288%0.87981%0.81SS**  trans-93.4149.1-168.7-57.7-17931.100114.5
257G33.9Very low31.7Very low80 Ų80137.5 Ų137.583%0.82580%0.796SS**  trans-147.4139.9168.700000111
258S33.6Very low31.3Very low120 Ų120141.6 Ų141.684%0.83980%0.804SS**  trans-91.9143.4-162.158.60000116.2
259C27.1Very low30.9Very low112 Ų112143.4 Ų143.476%0.75781%0.806SS**  trans-11.9138.3154.1-170.60000118.5
260V34.3Very low30.6Very low132 Ų132142.4 Ų142.480%0.880%0.802SS**  trans-127.3149.4144.9176.70000108.4
261E27.9Very low30.8Very low166 Ų166142.2 Ų142.278%0.77680%0.797SS**  trans-62.6169-172.8-56.5156.6106.600113.7
262S31.2Very low30.9Very low114 Ų114138.6 Ų138.680%0.79779%0.791SS**  cis-145.4150.216.6-38.40000113.1
263H27.7Very low30.6Very low188 Ų188135.4 Ų135.487%0.8779%0.791SS**  trans-91.9135.8156.7-81.4-75.7000110.4
264Q34Very low30.8Very low199 Ų199132.3 Ų132.393%0.9378%0.782SS**  trans-150.6133.2135.8-112.7178.932.800108.8
265N26.9Very low30.6Very low132 Ų132133.6 Ų133.671%0.70678%0.779SS**  trans-147.8112-177.3-174.613.3000108.7
266T34.5Very low30.3Very low141 Ų141137.3 Ų137.387%0.86578%0.781SS**  trans-111.4104.3174.422.10000109.4
267K30.1Very low30.3Very low113 Ų113137.4 Ų137.449%0.49178%0.779SS.*  trans-67.5143.8173.3-70.5167.7179.3164.50110.9D342K267-D342 WeakPolarHBondContact CD-OD2 3.48Å; K267-D342 WeakPolarHBondContact CE-OD1 3.5Å; K267-D342 IonicContact NZ-OD1 2.67Å; K267-D342 PolarHBondContact NZ-OD1 3.32Å; K267-D342 IonicContact NZ-OD2 3.52Å
268L29.4Very low29.9Very low143 Ų143140.7 Ų140.775%0.74978%0.776SS**  -178.5113.3110.4-91.3151.7000106.2
269N29.7Very low29.6Very low137 Ų137144.7 Ų144.773%0.73378%0.779SS**  47.1129.168.9-77.7-2.9000113
270S31Very low29.7Very low102 Ų102144.1 Ų144.171%0.71378%0.782SS**  cis-161.2179.9-0.660.10000108.8
271T32.1Very low29.4Very low126 Ų126146.9 Ų146.977%0.77378%0.784SS**  cis-145.3143.812.5-38.80000110.2
272T32.6Very low29.4Very low122 Ų122144.3 Ų144.375%0.74878%0.78SS**  trans-95.8140.9-165.449.60000115.4S274T272-S274 PolarHBondContact O-N 3.07Å
273P25.6Very low29.4Very low130 Ų130143.8 Ų143.884%0.84478%0.776SS**  trans-81.785.9161.633.5-32.2000111.3
274S30.7Very low29.5Very low97 Ų97140.6 Ų140.668%0.67878%0.775SS**  trans-116.8139.5152.4-160.80000106.7T272T272-S274 PolarHBondContact O-N 3.07Å
275S28.2Very low29.9Very low105 Ų105136.8 Ų136.873%0.73477%0.767SS**SBendcis-136.175.123.5-59.80000114.1
276R26.2Very low30.6Very low237 Ų237135.9 Ų135.989%0.89477%0.769SS**SBendtrans-158.6144.7151.3-124.4177.8-81.9-166.5-1.6112.4
277K30.2Very low30.2Very low190 Ų190137.8 Ų137.883%0.82677%0.768SS**  trans-24.2151.4166-74.9177.2179.7177.60115.9
278L25.5Very low30Very low148 Ų148137.2 Ų137.278%0.77578%0.778SS**  cis-163.9-176.222.5-127.4164.4000112.2
279F26.8Very low30Very low204 Ų204137.8 Ų137.890%0.89578%0.781SS**  trans-57.5139.3169.3-84.2-109.5000113.6
280A28.9Very low29.7Very low100 Ų100134.2 Ų134.283%0.82678%0.777SS**  trans-161.3158.5150.300000110.2
281F27.5Very low29.5Very low191 Ų191136 Ų13684%0.83878%0.783SS**  trans-127.2130-176.8-134.4-102.5000112
282T28.8Very low29.4Very low112 Ų112136.1 Ų136.169%0.68778%0.784SS**  trans61.8135.5155.347.60000124
283S31.2Very low29.2Very low103 Ų103136 Ų13672%0.7278%0.783SS**  trans79.886.1140.265.10000123
284S30.1Very low29.4Very low121 Ų121137.9 Ų137.985%0.84677%0.773SS**  82.5148120.9-55.20000122.5
285P40.9Very low29.3Very low119 Ų119141.5 Ų141.577%0.77378%0.784SS**  trans-121-155.9-171.948.3-32.3000111
286P43.5Very low29.8Very low113 Ų113140.3 Ų140.373%0.73477%0.773SS**  cis-134.3-154.6-5.538.5-15.7000114.2
287E25.5Very low30.8Very low181 Ų181133.3 Ų133.385%0.84676%0.758SS**  trans85.3127.8167.6-64.4-159.4172.900121
288S25.4Very low30.7Very low100 Ų100128.1 Ų128.170%0.69976%0.758SS**  trans68.4152.6144-152.70000120.4
289L30.3Very low30.8Very low156 Ų156124.1 Ų124.182%0.81775%0.753SS**  trans64.3141.4177.9-45.3-179.5000113.9
290G23.9Very low31.1Very low62 Ų62119.2 Ų119.264%0.63975%0.75SS**  cis94.5132.311.500000111.5
291T25.8Very low31.4Very low139 Ų139120.5 Ų120.585%0.85375%0.748SS**  trans50.7109.5173.143.80000117.9
292T29.6Very low32.1Very low129 Ų129117.7 Ų117.779%0.79175%0.747SS**  -155.8109.7102.7-177.20000112.8
293T28.9Very low32.1Very low120 Ų120116.6 Ų116.674%0.73675%0.748SS**  trans-99.4101.6160.5-57.40000108.1
294R30.8Very low32.3Very low168 Ų168119.4 Ų119.463%0.63476%0.755SS**  trans-166.9141.9157.7-107.8158.6-173-76.2-8108.2T296R294-T296 WeakPolarHBondContact CG-O 3.48Å; R294-T296 PolarHBondContact NH1-O 3.39Å
295L28.3Very low32.4Very low173 Ų173120.1 Ų120.191%0.90675%0.754SS**SBendcis-94.111226.9-61.7177000116
296T37.9Very low32.1Very low80 Ų80118.2 Ų118.249%0.49176%0.756SS.*  trans-146.3-159155.214.40000104.6R294R294-T296 WeakPolarHBondContact CG-O 3.48Å; R294-T296 PolarHBondContact NH1-O 3.39Å
297P46.6Very low31.5Very low91 Ų91116.3 Ų116.359%0.59176%0.757SS**  -122.9-171-65.638.1-26.4000111.2
298G28.2Very low31.8Very low80 Ų80114 Ų11483%0.82576%0.755SS**  trans-149.9141134.800000108.7
299G29.2Very low32.2Very low64 Ų64115.4 Ų115.466%0.6676%0.759SS**  cis-135.7163.4-10.200000109.6
300A31.8Very low31.9Very low101 Ų101112.9 Ų112.984%0.83576%0.761SS**  62.6122.372.400000112
301T35Very low32.3Very low127 Ų127114.8 Ų114.878%0.77977%0.765SS**  cis-142.1-179.13.4580000109
302T41.6Very low32.3Very low133 Ų133113.6 Ų113.682%0.81676%0.762SS**  cis-153.3159.218.14.80000108.7
303A30.2Very low32.3Very low88 Ų88115.1 Ų115.173%0.72776%0.764SS**  trans-92.8166.2172.400000112.5
304L34.5Very low32.1Very low162 Ų162113.5 Ų113.585%0.84876%0.758SS**  -172.3128.6119.2-97.6165.1000113
305T33.4Very low32.1Very low137 Ų137109 Ų10984%0.8475%0.752SS**  trans50.6110.1150.4-37.80000120.8
306G34.6Very low32Very low79 Ų79107.9 Ų107.981%0.81474%0.742SS**  trans169.583.9165.300000112.9
307G30.8Very low31.5Very low73 Ų73113 Ų11375%0.75375%0.753SS**  trans-84.5177.3167.300000111.7
308V31.8Very low30.7Very low133 Ų133116.6 Ų116.681%0.80677%0.767SS**  cis-145143.713.81660000110.1
309T32.9Very low30.5Very low128 Ų128118.9 Ų118.979%0.78576%0.757SS**  trans19.4131.716958.40000121.8
310A25.1Very low30.3Very low103 Ų103123.3 Ų123.385%0.85176%0.762SS**  trans-110127.9154.200000110.8
311S30.8Very low30.2Very low102 Ų102123.2 Ų123.271%0.71376%0.761SS**  trans175.7104.4156.853.60000107.5
312S26.4Very low30.2Very low115 Ų115122.7 Ų122.780%0.80476%0.76SS**  90.3138.873.7-68.50000112.8
313L29.2Very low29.5Very low160 Ų160120.3 Ų120.384%0.83876%0.761SS**  trans74.1119.8-175.6-49.5169.7000112.4
314S24.4Very low29.7Very low86 Ų86126 Ų12660%0.60177%0.766SS**  66.9125.663.2-72.20000113.2E379S314-E379 WeakPolarHBondContact CB-OE1 3.48Å; S314-E379 PolarHBondContact OG-OE1 3.37Å
315S30.6Very low29.5Very low73 Ų73125.6 Ų125.651%0.5176%0.764SS.*  cis-151.5125.2-11.6-75.30000106.3E379S315-E379 PolarHBondContact OG-OE1 3.05Å
316E27.6Very low29.3Very low150 Ų150126.3 Ų126.370%0.70176%0.762SS**  82.1149.389.9-141.2-177.2-148.700114.4
317W25.7Very low29.2Very low187 Ų187127.8 Ų127.871%0.70876%0.759SS**  trans56.7110.2176.4-52.498.7000120.3
318N29.9Very low29.7Very low167 Ų167129.4 Ų129.489%0.89376%0.756SS**  -149.8143.8106.9-145.2-24.4000110.7
319E24Very low29.7Very low129 Ų129129.9 Ų129.960%0.60376%0.759SS**  trans-106.3172.4-168.2-157.1178.3174.600112.9
320M25.3Very low29.5Very low156 Ų156132.4 Ų132.477%0.76876%0.762SS**  trans-23.6127.8-178.3-79.894.560.700118.2
321A30.5Very low29.5Very low99 Ų99136.1 Ų136.182%0.81876%0.762SS**  trans-107.5121.4153.100000110.2
322P34.5Very low29.8Very low117 Ų117135.8 Ų135.876%0.7676%0.757SS**  trans-86.7121.317432.1-30.8000111.3
323G27.8Very low30.1Very low82 Ų82136.2 Ų136.285%0.84576%0.755SS**  trans-117128.1176.900000112.6
324Y34Very low30.1Very low208 Ų208134.3 Ų134.382%0.81675%0.75SS**  trans-138148.8177.252.3-95.7000107.7
325D29.8Very low30.6Very low154 Ų154139.6 Ų139.682%0.82476%0.758SS**  cis-148.2168.6-18.7-153-21.5000107.4
326L29.7Very low30.5Very low152 Ų152142.1 Ų142.180%0.79677%0.766SS**  trans-77.2150.3174.7-69.1166.6000109.4
327C31.4Very low30.5Very low109 Ų109140.4 Ų140.474%0.73677%0.766SS**  cis177.1-166.441.1-125.90000106.6
328P42.8Very low30.7Very low107 Ų107138.5 Ų138.570%0.69577%0.769SS**  cis-131.8171-48.436.4-20.7000113.4
329T30.3Very low30.5Very low143 Ų143141.5 Ų141.588%0.87777%0.77SS**  trans-168.7154.5131.9-73.80000108.1
330E29.5Very low30.8Very low181 Ų181141.3 Ų141.385%0.84678%0.783SS**  trans-95.5160.1-159.9-58.9171.6146.100114.9
331E25.6Very low30.9Very low182 Ų182137.4 Ų137.485%0.8577%0.771SS**  trans5170.4147.5-89.6-156.1134.300123.6
332P36.4Very low30.8Very low95 Ų95137.5 Ų137.562%0.61776%0.757SS**  cis-137-170.80.223.72.5000116.1
333T33.3Very low30.6Very low123 Ų123139.6 Ų139.676%0.75576%0.762SS**  trans94.7108.5158.172.30000117.9
334V29.4Very low30.7Very low120 Ų120143.5 Ų143.573%0.72776%0.758SS**  98.4138.358-166.30000111.6
335Y33.8Very low30.5Very low198 Ų198138.7 Ų138.778%0.77675%0.746SS**  trans90.881.9169.5-69.8-64.2000119.9
336D28.3Very low30.4Very low125 Ų125138.9 Ų138.967%0.66874%0.744SS**  65.9117.5111.2-69.1-10.2000123.5
337T29.1Very low30.3Very low114 Ų114136.2 Ų136.270%0.69974%0.738SS**  trans70.4107.413461.40000120.7
338N28.4Very low30.1Very low147 Ų147136.1 Ų136.179%0.78674%0.739SS**  38.5101.1118.8-56.7-11.3000118.3
339Y27.1Very low29.4Very low231 Ų231142.2 Ų142.291%0.90675%0.748SS**  -167.5150.2121.9-101.8-68.8000109.6
340S28.9Very low29.3Very low125 Ų125143.7 Ų143.787%0.87474%0.742SS**  trans-154.7107.6158-156.90000110.1
341S28.1Very low29.2Very low74 Ų74143.4 Ų143.452%0.51774%0.741SS.*  trans-119109.1171.4-66.80000108.8
342D29.5Very low29.4Very low100 Ų100142.6 Ų142.654%0.53573%0.734SS.*  trans64.3157.3156.9-62.4-56.1000120.3K267K267-D342 WeakPolarHBondContact CD-OD2 3.48Å; K267-D342 WeakPolarHBondContact CE-OD1 3.5Å; K267-D342 IonicContact NZ-OD1 2.67Å; K267-D342 PolarHBondContact NZ-OD1 3.32Å; K267-D342 IonicContact NZ-OD2 3.52Å
343L30Very low29.1Very low162 Ų162144.7 Ų144.785%0.84874%0.736SS**  trans-84.8150-177.6-125.773.3000110.3
344E28.4Very low29.2Very low164 Ų164146.4 Ų146.477%0.76674%0.741SS**  -161.8141.2110.5-112.4-163.8-132.400113.3
345N31Very low30Very low107 Ų107145.9 Ų145.957%0.57274%0.74SS**  trans46.4138.8137.8-71.2-29.1000121.5
346M27Very low30.2Very low157 Ų157142.7 Ų142.777%0.77374%0.74SS**  cis-161.7160.915.4-124.9-66.2165.800113.2
347S28.6Very low31.2Very low96 Ų96142.1 Ų142.167%0.67174%0.741SS**  trans74.5122.9149.6-155.60000121.5
348S26.9Very low32.4Very low107 Ų107139.6 Ų139.675%0.74873%0.728SS**  trans75.7100.3142.1-61.70000121.7
349R27.6Very low33.9Very low236 Ų236138.8 Ų138.889%0.89172%0.722SS**  125.7125.7111.4-158.9173.5-160.6-176.66.8116.6
350K29.2Very low35.6Very low174 Ų174130.6 Ų130.676%0.75770%0.702SS**  trans75.8115.6172-75.6177.6175.4-174.30118.7
351Q27Very low37.7Very low174 Ų174129.3 Ų129.381%0.81369%0.69SS**  34.4122.3129.4-61168-58.500117.2
352K28.7Very low39.7Very low165 Ų165131.5 Ų131.572%0.71770%0.695SS**  -161.1146.957.5-125.9-168.7178.7-134.50115.1
353E30.3Very low41.9Very low140 Ų140132.6 Ų132.665%0.65470%0.697SS**  trans21.9109.3141.7-64.8150.5-156.100120.6
354N36.8Very low44.2Very low159 Ų159126.9 Ų126.985%0.8568%0.677SS**  169.2164.4122.3-97.2-33.9000113
355P44.8Very low46.7Very low109 Ų109128 Ų12871%0.70867%0.674SS**  cis-123.8166.4-27.737.2-23.8000112.4
356V39.4Very low49.1Very low131 Ų131127.5 Ų127.579%0.79467%0.671SS**  trans-69.4133.1163.9174.80000108.9S358V356-S358 PolarHBondContact O-N 2.78Å
357V48.9Very low51.9Low112 Ų112125 Ų12568%0.67966%0.66SS**  trans-65.299.7164.3176.50000107.1I359V357-I359 PolarHBondContact O-N 3.01Å
358S54Low54.6Low62 Ų62126.3 Ų126.343%0.43466%0.656SS.*  trans-63138.4-174.8-173.80000110.5V356 A360 T361V356-S358 PolarHBondContact O-N 2.78Å; S358-A360 PolarHBondContact O-N 3.37Å; S358-A360 VanDerWaalsContact O-N 3.12Å; S358-A360 PolarHBondContact OG-N 3.44Å; S358-T361 WeakPolarHBondContact O-CB 3.46Å; S358-T361 PolarHBondContact O-N 2.94Å
359I59.9Low57.3Low129 Ų129127.2 Ų127.266%0.66265%0.649SS**Hα-helixtrans-53.9-33.7175.4-66.2171.6000110.2V357 T361 L362 Q363V357-I359 PolarHBondContact O-N 3.01Å; I359-T361 VanDerWaalsContact C-N 3.27Å; I359-T361 PolarHBondContact O-N 2.67Å; I359-L362 PolarHBondContact O-N 2.69Å; I359-L362 VanDerWaalsContact O-N 3.16Å; I359-Q363 HydrophobicContact CG2-CG 4.05Å; I359-Q363 WeakPolarHBondContact O-CG 3.49Å; I359-Q363 PolarHBondContact O-N 3.44Å
360A63.7Low60Low59 Ų59120.4 Ų120.449%0.48863%0.628SS.*Hα-helixtrans-55.7-34.1174.100000114.3S358 G364S358-A360 PolarHBondContact O-N 3.37Å; S358-A360 VanDerWaalsContact O-N 3.12Å; S358-A360 PolarHBondContact OG-N 3.44Å; A360-G364 PolarHBondContact O-N 2.89Å
361T71.5Confident62.5Low99 Ų99118 Ų11861%0.60762%0.619SS**Hα-helixtrans-75.6-30.9-179.3-44.60000112S358 I359 R365S358-T361 WeakPolarHBondContact O-CB 3.46Å; S358-T361 PolarHBondContact O-N 2.94Å; I359-T361 VanDerWaalsContact C-N 3.27Å; I359-T361 PolarHBondContact O-N 2.67Å; T361-R365 PolarHBondContact O-N 2.93Å
362L69.7Low65.3Low119 Ų119112 Ų11262%0.62360%0.599SS**Hα-helixtrans-79.4-39.3171.8-69175.3000111.4I359 R365 L366I359-L362 PolarHBondContact O-N 2.69Å; I359-L362 VanDerWaalsContact O-N 3.16Å; L362-R365 PolarHBondContact O-N 3.09Å; L362-L366 WeakPolarHBondContact O-CB 3.17Å; L362-L366 PolarHBondContact O-N 3Å
363Q75.8Confident68Low124 Ų124109.2 Ų109.258%0.57959%0.592SS**Hα-helixtrans-58.2-48.7171.9-75.8-179.4-71.100111.5I359 R365 L366 L367I359-Q363 HydrophobicContact CG2-CG 4.05Å; I359-Q363 WeakPolarHBondContact O-CG 3.49Å; I359-Q363 PolarHBondContact O-N 3.44Å; Q363-R365 VanDerWaalsContact C-N 3.28Å; Q363-R365 PolarHBondContact O-N 2.86Å; Q363-L366 PolarHBondContact O-N 3.47Å; Q363-L366 VanDerWaalsContact O-N 3.13Å; Q363-L367 WeakPolarHBondContact O-CB 3.42Å; Q363-L367 PolarHBondContact O-N 3.49Å
364G78.8Confident70.7Confident41 Ų41110.5 Ų110.542%0.42359%0.593SS.*Hα-helixtrans-60.5-35.4179.400000113.5A360 Q368A360-G364 PolarHBondContact O-N 2.89Å; G364-Q368 WeakPolarHBondContact O-CB 3.43Å; G364-Q368 PolarHBondContact O-N 3.47Å; G364-Q368 VanDerWaalsContact O-N 3.11Å
365R81.4Confident73.2Confident188 Ų188105.7 Ų105.771%0.70957%0.569SS**Hα-helixtrans-77.8-29.2175.8-165.4174.2-17595.86.2113.2T361 L362 Q363 M369T361-R365 PolarHBondContact O-N 2.93Å; L362-R365 PolarHBondContact O-N 3.09Å; Q363-R365 VanDerWaalsContact C-N 3.28Å; Q363-R365 PolarHBondContact O-N 2.86Å; R365-M369 WeakPolarHBondContact O-CB 3.49Å; R365-M369 PolarHBondContact O-N 3.21Å
366L81.4Confident75.3Confident97 Ų97104.5 Ų104.551%0.50856%0.56SS.*Hα-helixtrans-70.3-46.9172.2-169.8124.8000110.3L362 Q363 Q368 M369 E370L362-L366 WeakPolarHBondContact O-CB 3.17Å; L362-L366 PolarHBondContact O-N 3Å; Q363-L366 PolarHBondContact O-N 3.47Å; Q363-L366 VanDerWaalsContact O-N 3.13Å; L366-Q368 PolarHBondContact O-N 2.99Å; L366-M369 CarbonylContact O-C 3.59Å; L366-M369 WeakPolarHBondContact O-CA 3.46Å; L366-M369 WeakPolarHBondContact O-CB 3.28Å; L366-M369 PolarHBondContact O-N 3.15Å; L366-E370 HydrophobicContact CD2-CG 4.37Å; L366-E370 PolarHBondContact O-N 3.19Å
367L84.7Confident77.8Confident105 Ų105102 Ų10255%0.5554%0.542SS..Hα-helixtrans-56.9-47.3176.9-160.383.5000111.5Q363 M369 E370 E371Q363-L367 WeakPolarHBondContact O-CB 3.42Å; Q363-L367 PolarHBondContact O-N 3.49Å; L367-M369 PolarHBondContact O-N 3.33Å; L367-E370 PolarHBondContact O-N 2.99Å; L367-E370 VanDerWaalsContact O-N 3.15Å; L367-E371 VanDerWaalsContact O-CB 3.25Å; L367-E371 WeakPolarHBondContact O-CB 3.37Å; L367-E371 PolarHBondContact O-N 2.9Å
368Q86.2Confident79.8Confident123 Ų123102.9 Ų102.958%0.57554%0.539SS*.Hα-helixtrans-61.1-28.7175.4-176.617354.300113G364 L366 A372G364-Q368 WeakPolarHBondContact O-CB 3.43Å; G364-Q368 PolarHBondContact O-N 3.47Å; G364-Q368 VanDerWaalsContact O-N 3.11Å; L366-Q368 PolarHBondContact O-N 2.99Å; Q368-A372 WeakPolarHBondContact O-CB 3.37Å; Q368-A372 PolarHBondContact O-N 2.66Å; Q368-A372 VanDerWaalsContact O-N 3.12Å
369M84.1Confident81.5Confident125 Ų125103.7 Ų103.762%0.61654%0.535SS*.Hα-helixtrans-84.6-25.7177.9-162.81757200112.5R365 L366 L367 N373R365-M369 WeakPolarHBondContact O-CB 3.49Å; R365-M369 PolarHBondContact O-N 3.21Å; L366-M369 CarbonylContact O-C 3.59Å; L366-M369 WeakPolarHBondContact O-CA 3.46Å; L366-M369 WeakPolarHBondContact O-CB 3.28Å; L366-M369 PolarHBondContact O-N 3.15Å; L367-M369 PolarHBondContact O-N 3.33Å; M369-N373 WeakPolarHBondContact O-CB 3.4Å; M369-N373 PolarHBondContact O-N 2.99Å; M369-N373 PolarHBondContact O-ND2 3.42Å
370E83.5Confident83.2Confident93 Ų93102 Ų10244%0.43553%0.527SS..Hα-helixtrans-71.6-47.7166.4-69.1176.3137.800110.5L366 L367 A372 N373 Y374L366-E370 HydrophobicContact CD2-CG 4.37Å; L366-E370 PolarHBondContact O-N 3.19Å; L367-E370 PolarHBondContact O-N 2.99Å; L367-E370 VanDerWaalsContact O-N 3.15Å; E370-A372 PolarHBondContact O-N 3.25Å; E370-N373 CarbonylContact O-C 3.54Å; E370-N373 WeakPolarHBondContact O-CA 3.09Å; E370-N373 WeakPolarHBondContact O-CB 3.5Å; E370-N373 PolarHBondContact O-N 3.44Å; E370-Y374 WeakPolarHBondContact O-CD2 3.37Å; E370-Y374 PolarHBondContact O-N 3.43Å
371E83Confident84.5Confident123 Ų123104.8 Ų104.858%0.57553%0.53SS*.Hα-helixtrans-57.3-46.7178.6-171.9170.5-122.900112L367 N373 Y374 T375L367-E371 VanDerWaalsContact O-CB 3.25Å; L367-E371 WeakPolarHBondContact O-CB 3.37Å; L367-E371 PolarHBondContact O-N 2.9Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-N373 PolarHBondContact O-N 2.91Å; E371-Y374 WeakPolarHBondContact O-CB 3.32Å; E371-Y374 PolarHBondContact O-N 3.05Å; E371-T375 PolarHBondContact O-N 3.18Å; E371-T375 PolarHBondContact O-OG1 2.87Å
372A85.5Confident85.4Confident49 Ų49102.8 Ų102.841%0.40552%0.524SS..Hα-helixtrans-65.8-31.8173.600000113.5Q368 E370 T376Q368-A372 WeakPolarHBondContact O-CB 3.37Å; Q368-A372 PolarHBondContact O-N 2.66Å; Q368-A372 VanDerWaalsContact O-N 3.12Å; E370-A372 PolarHBondContact O-N 3.25Å; A372-T376 WeakPolarHBondContact O-CB 3.21Å; A372-T376 PolarHBondContact O-N 3.41Å; A372-T376 PolarHBondContact O-OG1 2.86Å
373N84.8Confident86.5Confident106 Ų106100.6 Ų100.657%0.56752%0.516SS*.Hα-helixtrans-69.5-38.4171.8-95-37.3000111.3M369 E370 E371 T376 N377M369-N373 WeakPolarHBondContact O-CB 3.4Å; M369-N373 PolarHBondContact O-N 2.99Å; M369-N373 PolarHBondContact O-ND2 3.42Å; E370-N373 CarbonylContact O-C 3.54Å; E370-N373 WeakPolarHBondContact O-CA 3.09Å; E370-N373 WeakPolarHBondContact O-CB 3.5Å; E370-N373 PolarHBondContact O-N 3.44Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-N373 PolarHBondContact O-N 2.91Å; N373-T376 PolarHBondContact O-N 3.03Å; N373-N377 VanDerWaalsContact O-CB 3.23Å; N373-N377 WeakPolarHBondContact O-CB 3.37Å; N373-N377 PolarHBondContact O-N 3.34Å
374Y86.6Confident87.4Confident168 Ų16899.6 Ų99.666%0.65951%0.514SS*.Hα-helixtrans-61.6-48.4174.2-90.4-77.6000111.3E370 E371 T376 N377 E378E370-Y374 WeakPolarHBondContact O-CD2 3.37Å; E370-Y374 PolarHBondContact O-N 3.43Å; E371-Y374 WeakPolarHBondContact O-CB 3.32Å; E371-Y374 PolarHBondContact O-N 3.05Å; Y374-T376 PolarHBondContact O-N 3.46Å; Y374-N377 PolarHBondContact O-N 3.5Å; Y374-N377 VanDerWaalsContact O-N 3.15Å; Y374-E378 PolarHBondContact O-N 3.35Å
375T89.4Confident88.1Confident58 Ų58102.2 Ų102.236%0.35652%0.515SS..Hα-helixtrans-61.4-43176.22.80000111.9E371 N377 E378 E379E371-T375 PolarHBondContact O-N 3.18Å; E371-T375 PolarHBondContact O-OG1 2.87Å; T375-N377 VanDerWaalsContact C-N 3.27Å; T375-N377 PolarHBondContact O-N 3.22Å; T375-E378 PolarHBondContact O-N 3.4Å; T375-E379 PolarHBondContact O-N 3.41Å
376T89.5Confident88.6Confident84 Ų8499.6 Ų99.652%0.51551%0.511SS..Hα-helixtrans-63.2-35177.1-530000111.6A372 N373 Y374 L380A372-T376 WeakPolarHBondContact O-CB 3.21Å; A372-T376 PolarHBondContact O-N 3.41Å; A372-T376 PolarHBondContact O-OG1 2.86Å; N373-T376 PolarHBondContact O-N 3.03Å; Y374-T376 PolarHBondContact O-N 3.46Å; T376-L380 WeakPolarHBondContact O-CB 3.38Å; T376-L380 PolarHBondContact O-N 2.88Å; T376-L380 VanDerWaalsContact O-N 3.13Å
377N90.9Very high89.2Confident79 Ų79100.3 Ų100.342%0.42251%0.514SS..Hα-helixtrans-74.3-35.9177-175.364.2000112.3N373 Y374 T375 L380 Q381N373-N377 VanDerWaalsContact O-CB 3.23Å; N373-N377 WeakPolarHBondContact O-CB 3.37Å; N373-N377 PolarHBondContact O-N 3.34Å; Y374-N377 PolarHBondContact O-N 3.5Å; Y374-N377 VanDerWaalsContact O-N 3.15Å; T375-N377 VanDerWaalsContact C-N 3.27Å; T375-N377 PolarHBondContact O-N 3.22Å; N377-L380 PolarHBondContact O-N 3.18Å; N377-Q381 WeakPolarHBondContact O-CG 3.23Å; N377-Q381 PolarHBondContact O-N 3.22Å
378E91.9Very high89.6Confident129 Ų129103 Ų10360%0.60352%0.518SS*.Hα-helixtrans-65.1-45.6171.4-75.9-167.6125.500112.1Y374 T375 L380 Q381 A382Y374-E378 PolarHBondContact O-N 3.35Å; T375-E378 PolarHBondContact O-N 3.4Å; E378-L380 PolarHBondContact O-N 3.25Å; E378-Q381 PolarHBondContact O-N 3.01Å; E378-A382 WeakPolarHBondContact O-CB 3.33Å; E378-A382 PolarHBondContact O-N 2.88Å
379E89.8Confident89.9Confident79 Ų79101 Ų10137%0.36951%0.51SS..Hα-helixtrans-60.1-34.7174.2-72.5-168.2166.800111.9S314 S315 T375 T383S314-E379 WeakPolarHBondContact CB-OE1 3.48Å; S314-E379 PolarHBondContact OG-OE1 3.37Å; S315-E379 PolarHBondContact OG-OE1 3.05Å; T375-E379 PolarHBondContact O-N 3.41Å; E379-T383 WeakPolarHBondContact O-CG2 3.41Å; E379-T383 PolarHBondContact O-N 3.25Å; E379-T383 PolarHBondContact O-OG1 3.11Å
380L94.2Very high90.4Very high93 Ų93100 Ų10049%0.48751%0.507SS..Hα-helixtrans-75.1-34.6177.6-158.6148.5000112.4T376 N377 E378 T383 L384T376-L380 WeakPolarHBondContact O-CB 3.38Å; T376-L380 PolarHBondContact O-N 2.88Å; T376-L380 VanDerWaalsContact O-N 3.13Å; N377-L380 PolarHBondContact O-N 3.18Å; E378-L380 PolarHBondContact O-N 3.25Å; L380-T383 WeakPolarHBondContact CA-OG1 3.39Å; L380-T383 PolarHBondContact O-OG1 2.91Å; L380-L384 HydrophobicContact CD2-CD1 3.78Å; L380-L384 HydrophobicContact CD2-CG 4.34Å; L380-L384 WeakPolarHBondContact O-CB 3.36Å; L380-L384 VanDerWaalsContact O-CG 3.28Å; L380-L384 WeakPolarHBondContact O-CG 3.24Å; L380-L384 PolarHBondContact O-N 2.98Å
381Q92.2Very high90.7Very high118 Ų118100.4 Ų100.455%0.55151%0.509SS*.Hα-helixtrans-68.9-41.8170.3-74.8-174.52.300112N377 E378 L384 Q385N377-Q381 WeakPolarHBondContact O-CG 3.23Å; N377-Q381 PolarHBondContact O-N 3.22Å; E378-Q381 PolarHBondContact O-N 3.01Å; Q381-L384 PolarHBondContact O-N 3.06Å; Q381-Q385 PolarHBondContact O-N 3.1Å
382A91.1Very high91.2Very high58 Ų58101 Ų10148%0.47951%0.506SS..Hα-helixtrans-62-43.9176.800000112E378 Q385 E386E378-A382 WeakPolarHBondContact O-CB 3.33Å; E378-A382 PolarHBondContact O-N 2.88Å; A382-Q385 PolarHBondContact O-N 3.3Å; A382-E386 PolarHBondContact O-N 3.21Å
383T91.9Very high91.4Very high73 Ų73102 Ų10245%0.44851%0.51SS..Hα-helixtrans-71.2-28.8175.948.50000113.3E379 L380 L387E379-T383 WeakPolarHBondContact O-CG2 3.41Å; E379-T383 PolarHBondContact O-N 3.25Å; E379-T383 PolarHBondContact O-OG1 3.11Å; L380-T383 WeakPolarHBondContact CA-OG1 3.39Å; L380-T383 PolarHBondContact O-OG1 2.91Å; T383-L387 WeakPolarHBondContact O-CB 3.42Å; T383-L387 VanDerWaalsContact O-CG 3.26Å; T383-L387 WeakPolarHBondContact O-CG 3.43Å; T383-L387 PolarHBondContact O-N 2.88Å; T383-L387 VanDerWaalsContact O-N 3.13Å
384L93.9Very high91.8Very high102 Ų102101.1 Ų101.153%0.53451%0.508SS..Hα-helixtrans-66.9-38.4167.5-78.4171.4000112.1L380 Q381 L387 W388L380-L384 HydrophobicContact CD2-CD1 3.78Å; L380-L384 HydrophobicContact CD2-CG 4.34Å; L380-L384 WeakPolarHBondContact O-CB 3.36Å; L380-L384 VanDerWaalsContact O-CG 3.28Å; L380-L384 WeakPolarHBondContact O-CG 3.24Å; L380-L384 PolarHBondContact O-N 2.98Å; Q381-L384 PolarHBondContact O-N 3.06Å; L384-L387 PolarHBondContact O-N 3.25Å; L384-W388 WeakPolarHBondContact O-CB 3.42Å; L384-W388 PolarHBondContact O-N 2.88Å
385Q93.7Very high92Very high96 Ų9697.2 Ų97.245%0.44950%0.499SS..Hα-helixtrans-67.2-45.7175.8-172.362.149.900111.6Q381 A382 L387 W388 D389Q381-Q385 PolarHBondContact O-N 3.1Å; A382-Q385 PolarHBondContact O-N 3.3Å; Q385-L387 VanDerWaalsContact C-N 3.27Å; Q385-L387 PolarHBondContact O-N 2.87Å; Q385-W388 WeakPolarHBondContact O-CB 3.49Å; Q385-W388 PolarHBondContact O-N 3.42Å; Q385-D389 PolarHBondContact NE2-OD1 3.41Å; Q385-D389 PolarHBondContact NE2-OD2 2.85Å; Q385-D389 PolarHBondContact O-N 3.3Å
386E91.9Very high92Very high133 Ų13399.3 Ų99.362%0.62151%0.505SS*.Hα-helixtrans-56.4-41.4173.2-80.5-161.2137.600111.8A382 W388 L390A382-E386 PolarHBondContact O-N 3.21Å; E386-W388 VanDerWaalsContact C-N 3.33Å; E386-W388 PolarHBondContact O-N 2.97Å; E386-L390 VanDerWaalsContact O-CB 3.24Å; E386-L390 WeakPolarHBondContact O-CB 3.41Å; E386-L390 WeakPolarHBondContact O-CD1 3.38Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.21Å
387L94.6Very high92Very high112 Ų11297.8 Ų97.859%0.58650%0.5SS*.Hα-helixtrans-66.4-33.2176.2-74.6170.8000112.9T383 L384 Q385 Q391T383-L387 WeakPolarHBondContact O-CB 3.42Å; T383-L387 VanDerWaalsContact O-CG 3.26Å; T383-L387 WeakPolarHBondContact O-CG 3.43Å; T383-L387 PolarHBondContact O-N 2.88Å; T383-L387 VanDerWaalsContact O-N 3.13Å; L384-L387 PolarHBondContact O-N 3.25Å; Q385-L387 VanDerWaalsContact C-N 3.27Å; Q385-L387 PolarHBondContact O-N 2.87Å; L387-Q391 WeakPolarHBondContact O-CB 3.21Å; L387-Q391 PolarHBondContact O-N 2.93Å
388W92.8Very high92.1Very high163 Ų163100.1 Ų100.162%0.61751%0.508SS*.Hα-helixtrans-73-42.6176.9-16086.3000111.8L384 Q385 E386 Q391 R392L384-W388 WeakPolarHBondContact O-CB 3.42Å; L384-W388 PolarHBondContact O-N 2.88Å; Q385-W388 WeakPolarHBondContact O-CB 3.49Å; Q385-W388 PolarHBondContact O-N 3.42Å; E386-W388 VanDerWaalsContact C-N 3.33Å; E386-W388 PolarHBondContact O-N 2.97Å; W388-Q391 PolarHBondContact O-N 3.37Å; W388-R392 WeakPolarHBondContact O-CB 3.49Å; W388-R392 PolarHBondContact O-N 3.28Å
389D93Very high92Very high79 Ų79100.4 Ų100.442%0.42251%0.51SS..Hα-helixtrans-67.6-36.5175.6-65.9-19000111.6Q385 R392 S393Q385-D389 PolarHBondContact NE2-OD1 3.41Å; Q385-D389 PolarHBondContact NE2-OD2 2.85Å; Q385-D389 PolarHBondContact O-N 3.3Å; D389-R392 PolarHBondContact O-N 3.46Å; D389-S393 WeakPolarHBondContact O-CB 3.4Å; D389-S393 PolarHBondContact O-N 3.13Å
390L93.6Very high92Very high105 Ų105102.7 Ų102.755%0.5552%0.521SS..Hα-helixtrans-65.3-42.7170.9-78.6168000112.3E386 S393 V394E386-L390 VanDerWaalsContact O-CB 3.24Å; E386-L390 WeakPolarHBondContact O-CB 3.41Å; E386-L390 WeakPolarHBondContact O-CD1 3.38Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.21Å; L390-S393 PolarHBondContact O-N 3.03Å; L390-V394 WeakPolarHBondContact O-CG2 3.5Å; L390-V394 PolarHBondContact O-N 3.1Å
391Q91.4Very high91.7Very high101 Ų101101 Ų10147%0.47252%0.52SS..Hα-helixtrans-60.4-48.6174.8177.858.556.300110.4L387 W388 S393 V394 D395L387-Q391 WeakPolarHBondContact O-CB 3.21Å; L387-Q391 PolarHBondContact O-N 2.93Å; W388-Q391 PolarHBondContact O-N 3.37Å; Q391-S393 VanDerWaalsContact C-N 3.32Å; Q391-S393 PolarHBondContact O-N 3.45Å; Q391-V394 WeakPolarHBondContact O-CB 3.41Å; Q391-V394 PolarHBondContact O-N 3.26Å; Q391-V394 VanDerWaalsContact O-N 3.09Å; Q391-D395 PolarHBondContact NE2-OD1 3.17Å; Q391-D395 PolarHBondContact NE2-OD2 2.81Å; Q391-D395 PolarHBondContact O-N 3.14Å
392R91.8Very high91.6Very high136 Ų136101.5 Ų101.551%0.51352%0.522SS..Hα-helixtrans-55.7-44.8174.2179.7-177173.4123.115.9112.2W388 D389 V394 D395 E396W388-R392 WeakPolarHBondContact O-CB 3.49Å; W388-R392 PolarHBondContact O-N 3.28Å; D389-R392 PolarHBondContact O-N 3.46Å; R392-V394 VanDerWaalsContact C-N 3.31Å; R392-V394 PolarHBondContact O-N 3.46Å; R392-D395 PolarHBondContact O-N 3.33Å; R392-E396 HydrophobicContact CG-CG 4.44Å; R392-E396 IonicContact CZ-OE1 3.38Å; R392-E396 IonicContact NE-OE1 2.71Å; R392-E396 PolarHBondContact NE-OE1 3.48Å; R392-E396 IonicContact NH2-OE1 3.74Å; R392-E396 PolarHBondContact NH2-OE1 3Å; R392-E396 WeakPolarHBondContact O-CG 3.08Å; R392-E396 PolarHBondContact O-N 2.83Å
393S91.5Very high91.5Very high69 Ų69101.6 Ų101.648%0.48352%0.519SS..Hα-helixtrans-66.1-31.7178.4-178.50000112.8D389 L390 Q391 A397D389-S393 WeakPolarHBondContact O-CB 3.4Å; D389-S393 PolarHBondContact O-N 3.13Å; L390-S393 PolarHBondContact O-N 3.03Å; Q391-S393 VanDerWaalsContact C-N 3.32Å; Q391-S393 PolarHBondContact O-N 3.45Å; S393-A397 VanDerWaalsContact O-CB 3.27Å; S393-A397 WeakPolarHBondContact O-CB 3.43Å; S393-A397 PolarHBondContact O-N 3.24Å; S393-A397 VanDerWaalsContact O-N 3.12Å
394V91.9Very high91.4Very high89 Ų89102.5 Ų102.554%0.53952%0.521SS..Hα-helixtrans-68.3-42.1171.8167.30000111.1L390 Q391 R392 A397 H398L390-V394 WeakPolarHBondContact O-CG2 3.5Å; L390-V394 PolarHBondContact O-N 3.1Å; Q391-V394 WeakPolarHBondContact O-CB 3.41Å; Q391-V394 PolarHBondContact O-N 3.26Å; Q391-V394 VanDerWaalsContact O-N 3.09Å; R392-V394 VanDerWaalsContact C-N 3.31Å; R392-V394 PolarHBondContact O-N 3.46Å; V394-A397 PolarHBondContact O-N 3.47Å; V394-H398 PolarHBondContact O-N 3.22Å
395D90.7Very high91.2Very high86 Ų86100.4 Ų100.446%0.4652%0.518SS..Hα-helixtrans-68.7-44.1179.9-63.2-35.9000111.7Q391 R392 A397 H398 E399Q391-D395 PolarHBondContact NE2-OD1 3.17Å; Q391-D395 PolarHBondContact NE2-OD2 2.81Å; Q391-D395 PolarHBondContact O-N 3.14Å; R392-D395 PolarHBondContact O-N 3.33Å; D395-A397 VanDerWaalsContact C-N 3.32Å; D395-A397 PolarHBondContact O-N 3Å; D395-H398 WeakPolarHBondContact O-CB 3.47Å; D395-H398 PolarHBondContact O-N 3.01Å; D395-E399 PolarHBondContact O-N 3.22Å
396E91Very high91Very high102 Ų102100.2 Ų100.248%0.47752%0.516SS..Hα-helixtrans-59.9-39.9173-73.3178.6177.800111.9R392 H398 E399 E400R392-E396 HydrophobicContact CG-CG 4.44Å; R392-E396 IonicContact CZ-OE1 3.38Å; R392-E396 IonicContact NE-OE1 2.71Å; R392-E396 PolarHBondContact NE-OE1 3.48Å; R392-E396 IonicContact NH2-OE1 3.74Å; R392-E396 PolarHBondContact NH2-OE1 3Å; R392-E396 WeakPolarHBondContact O-CG 3.08Å; R392-E396 PolarHBondContact O-N 2.83Å; E396-H398 VanDerWaalsContact C-N 3.33Å; E396-H398 PolarHBondContact O-N 2.94Å; E396-E399 PolarHBondContact O-N 3.25Å; E396-E400 PolarHBondContact O-N 3.42Å
397A88.2Confident91Very high51 Ų5199 Ų9942%0.42151%0.511SS..Hα-helixtrans-71.3-24.7174.500000113.5S393 V394 D395 A401S393-A397 VanDerWaalsContact O-CB 3.27Å; S393-A397 WeakPolarHBondContact O-CB 3.43Å; S393-A397 PolarHBondContact O-N 3.24Å; S393-A397 VanDerWaalsContact O-N 3.12Å; V394-A397 PolarHBondContact O-N 3.47Å; D395-A397 VanDerWaalsContact C-N 3.32Å; D395-A397 PolarHBondContact O-N 3Å; A397-A401 WeakPolarHBondContact O-CB 3.45Å; A397-A401 PolarHBondContact O-N 2.67Å; A397-A401 VanDerWaalsContact O-N 3.09Å
398H92.5Very high90.8Very high128 Ų128102.1 Ų102.159%0.59351%0.514SS*.Hα-helixtrans-74-40.5174.5-141.360.2000111.2V394 D395 E396 A401 H402V394-H398 PolarHBondContact O-N 3.22Å; D395-H398 WeakPolarHBondContact O-CB 3.47Å; D395-H398 PolarHBondContact O-N 3.01Å; E396-H398 VanDerWaalsContact C-N 3.33Å; E396-H398 PolarHBondContact O-N 2.94Å; H398-A401 PolarHBondContact O-N 2.91Å; H398-H402 PolarHBondContact O-N 3.07Å
399E90.8Very high90.7Very high136 Ų13696.9 Ų96.964%0.63651%0.506SS*.Hα-helixtrans-65.7-43.5174.2-168.761.5-158.200111.5D395 E396 A401 H402 S403D395-E399 PolarHBondContact O-N 3.22Å; E396-E399 PolarHBondContact O-N 3.25Å; E399-A401 VanDerWaalsContact C-N 3.32Å; E399-A401 PolarHBondContact O-N 3.32Å; E399-H402 PolarHBondContact O-N 3Å; E399-H402 VanDerWaalsContact O-N 3.17Å; E399-S403 WeakPolarHBondContact O-CB 3.22Å; E399-S403 PolarHBondContact O-N 2.93Å
400E90.5Very high90.6Very high127 Ų12797.5 Ų97.559%0.59351%0.508SS*.Hα-helixtrans-60-42173.1-171.3-179.3-15800111.4E396 H402 S403 L404E396-E400 PolarHBondContact O-N 3.42Å; E400-H402 VanDerWaalsContact C-N 3.33Å; E400-H402 PolarHBondContact O-N 3.27Å; E400-S403 PolarHBondContact O-N 3.32Å; E400-L404 HydrophobicContact CG-CD1 4.01Å; E400-L404 HydrophobicContact CG-CG 4.42Å; E400-L404 WeakPolarHBondContact O-CB 3.48Å; E400-L404 VanDerWaalsContact O-CG 3.3Å; E400-L404 WeakPolarHBondContact O-CG 3.35Å; E400-L404 PolarHBondContact O-N 3.04Å
401A86.6Confident90.5Very high57 Ų5798.2 Ų98.247%0.47151%0.512SS..Hα-helixtrans-64.5-35.2175.900000113A397 H398 E399 A405A397-A401 WeakPolarHBondContact O-CB 3.45Å; A397-A401 PolarHBondContact O-N 2.67Å; A397-A401 VanDerWaalsContact O-N 3.09Å; H398-A401 PolarHBondContact O-N 2.91Å; E399-A401 VanDerWaalsContact C-N 3.32Å; E399-A401 PolarHBondContact O-N 3.32Å; A401-A405 WeakPolarHBondContact O-CB 3.12Å; A401-A405 PolarHBondContact O-N 2.94Å; A401-A405 VanDerWaalsContact O-N 3.07Å
402H89.7Confident90.5Very high128 Ų12898.1 Ų98.159%0.59351%0.514SS*.Hα-helixtrans-68.7-45.1174.3-113.5-96.9000111.9H398 E399 E400 A405 F406H398-H402 PolarHBondContact O-N 3.07Å; E399-H402 PolarHBondContact O-N 3Å; E399-H402 VanDerWaalsContact O-N 3.17Å; E400-H402 VanDerWaalsContact C-N 3.33Å; E400-H402 PolarHBondContact O-N 3.27Å; H402-A405 WeakPolarHBondContact O-CB 3.47Å; H402-A405 PolarHBondContact O-N 2.91Å; H402-F406 PolarHBondContact O-N 3.09Å
403S89.3Confident90.4Very high61 Ų6198 Ų9843%0.42752%0.519SS..Hα-helixtrans-59.5-48.3175.2-177.70000112E399 E400 A405 F406 E407E399-S403 WeakPolarHBondContact O-CB 3.22Å; E399-S403 PolarHBondContact O-N 2.93Å; E400-S403 PolarHBondContact O-N 3.32Å; S403-A405 VanDerWaalsContact C-N 3.27Å; S403-A405 PolarHBondContact O-N 3.41Å; S403-F406 WeakPolarHBondContact O-CB 3.18Å; S403-F406 PolarHBondContact O-N 2.82Å; S403-E407 PolarHBondContact O-N 3.07Å
404L90.2Very high90.3Very high92 Ų9296.6 Ų96.648%0.48251%0.512SS..Hα-helixtrans-63.8-29.5175.8-70.9171.1000113E400 R408E400-L404 HydrophobicContact CG-CD1 4.01Å; E400-L404 HydrophobicContact CG-CG 4.42Å; E400-L404 WeakPolarHBondContact O-CB 3.48Å; E400-L404 VanDerWaalsContact O-CG 3.3Å; E400-L404 WeakPolarHBondContact O-CG 3.35Å; E400-L404 PolarHBondContact O-N 3.04Å; L404-R408 WeakPolarHBondContact O-CB 3.5Å; L404-R408 PolarHBondContact O-N 3.27Å
405A89.5Confident90.2Very high58 Ų5897.5 Ų97.548%0.47951%0.514SS..Hα-helixtrans-70.1-37.2172.500000112.1A401 H402 S403 A409A401-A405 WeakPolarHBondContact O-CB 3.12Å; A401-A405 PolarHBondContact O-N 2.94Å; A401-A405 VanDerWaalsContact O-N 3.07Å; H402-A405 WeakPolarHBondContact O-CB 3.47Å; H402-A405 PolarHBondContact O-N 2.91Å; S403-A405 VanDerWaalsContact C-N 3.27Å; S403-A405 PolarHBondContact O-N 3.41Å; A405-A409 PolarHBondContact O-N 2.83Å
406F89.5Confident90.1Very high92 Ų9296.5 Ų96.540%0.40451%0.513SS..Hα-helixtrans-69.3-47.1175.1-176.9-114.7000112.2H402 S403 R408 A409 I410H402-F406 PolarHBondContact O-N 3.09Å; S403-F406 WeakPolarHBondContact O-CB 3.18Å; S403-F406 PolarHBondContact O-N 2.82Å; F406-R408 VanDerWaalsContact C-N 3.28Å; F406-R408 PolarHBondContact O-N 2.93Å; F406-A409 WeakPolarHBondContact O-CB 3.48Å; F406-A409 PolarHBondContact O-N 3.47Å; F406-I410 HydrophobicContact CD1-CD1 3.98Å; F406-I410 HydrophobicContact CE1-CD1 3.62Å; F406-I410 HydrophobicContact CE2-CD1 4.4Å; F406-I410 HydrophobicContact CZ-CD1 3.86Å; F406-I410 PolarHBondContact O-N 3.06Å; F406-I410 VanDerWaalsContact O-N 3.07Å
407E92.5Very high90.1Very high108 Ų10894.5 Ų94.551%0.50551%0.508SS..Hα-helixtrans-55.9-43.9172.2-72-161.3151.800111.5S403 A409 I410 L411S403-E407 PolarHBondContact O-N 3.07Å; E407-A409 VanDerWaalsContact C-N 3.31Å; E407-A409 PolarHBondContact O-N 3.34Å; E407-I410 PolarHBondContact O-N 2.92Å; E407-L411 WeakPolarHBondContact O-CB 3.49Å; E407-L411 WeakPolarHBondContact O-CG 3.35Å; E407-L411 PolarHBondContact O-N 2.97Å
408R90.2Very high90.2Very high176 Ų17696 Ų9666%0.66451%0.506SS*.Hα-helixtrans-61.5-36.9176.5178.3179.6172.3-159.8-5.2112.4L404 F406 L412L404-R408 WeakPolarHBondContact O-CB 3.5Å; L404-R408 PolarHBondContact O-N 3.27Å; F406-R408 VanDerWaalsContact C-N 3.28Å; F406-R408 PolarHBondContact O-N 2.93Å; R408-L412 HydrophobicContact CG-CD1 4.1Å; R408-L412 WeakPolarHBondContact O-CB 3.25Å; R408-L412 VanDerWaalsContact O-CG 3.27Å; R408-L412 WeakPolarHBondContact O-CG 3.38Å; R408-L412 PolarHBondContact O-N 2.92Å
409A90Very high90.3Very high54 Ų5492.7 Ų92.745%0.44650%0.495SS..Hα-helixtrans-65.1-48.517600000111.1A405 F406 E407 L411 L412 E413A405-A409 PolarHBondContact O-N 2.83Å; F406-A409 WeakPolarHBondContact O-CB 3.48Å; F406-A409 PolarHBondContact O-N 3.47Å; E407-A409 VanDerWaalsContact C-N 3.31Å; E407-A409 PolarHBondContact O-N 3.34Å; A409-L411 VanDerWaalsContact C-N 3.33Å; A409-L411 PolarHBondContact O-N 3.05Å; A409-L412 PolarHBondContact O-N 3.06Å; A409-E413 PolarHBondContact O-N 3.08Å
410I91.1Very high90.1Very high92 Ų9289.8 Ų89.847%0.47249%0.49SS..Hα-helixtrans-58.8-43.6176.6-65.5169.4000111F406 E407 L412 E413 A414F406-I410 HydrophobicContact CD1-CD1 3.98Å; F406-I410 HydrophobicContact CE1-CD1 3.62Å; F406-I410 HydrophobicContact CE2-CD1 4.4Å; F406-I410 HydrophobicContact CZ-CD1 3.86Å; F406-I410 PolarHBondContact O-N 3.06Å; F406-I410 VanDerWaalsContact O-N 3.07Å; E407-I410 PolarHBondContact O-N 2.92Å; I410-L412 PolarHBondContact O-N 2.93Å; I410-E413 PolarHBondContact O-N 2.78Å; I410-A414 WeakPolarHBondContact O-CB 3.48Å; I410-A414 PolarHBondContact O-N 3.12Å
411L92.1Very high90.3Very high120 Ų12088.8 Ų88.863%0.62848%0.484SS*.Hα-helixtrans-66.5-34.8178.1-72171.7000113E407 A409 L415E407-L411 WeakPolarHBondContact O-CB 3.49Å; E407-L411 WeakPolarHBondContact O-CG 3.35Å; E407-L411 PolarHBondContact O-N 2.97Å; A409-L411 VanDerWaalsContact C-N 3.33Å; A409-L411 PolarHBondContact O-N 3.05Å; L411-L415 VanDerWaalsContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.33Å; L411-L415 PolarHBondContact O-N 3.36Å
412L91.7Very high90.6Very high98 Ų9890.4 Ų90.451%0.51348%0.484SS..Hα-helixtrans-68.8-38174.3-76.3168.3000112.1R408 A409 I410 L415 S416R408-L412 HydrophobicContact CG-CD1 4.1Å; R408-L412 WeakPolarHBondContact O-CB 3.25Å; R408-L412 VanDerWaalsContact O-CG 3.27Å; R408-L412 WeakPolarHBondContact O-CG 3.38Å; R408-L412 PolarHBondContact O-N 2.92Å; A409-L412 PolarHBondContact O-N 3.06Å; I410-L412 PolarHBondContact O-N 2.93Å; L412-L415 PolarHBondContact O-N 3.2Å; L412-S416 WeakPolarHBondContact O-CB 3.31Å; L412-S416 PolarHBondContact O-N 3.26Å
413E89.8Confident90.4Very high133 Ų13389.5 Ų89.562%0.62148%0.48SS*.Hα-helixtrans-72.4-37.8175.7-173.6163.4-163.700112.5A409 I410 L415 S416 T417A409-E413 PolarHBondContact O-N 3.08Å; I410-E413 PolarHBondContact O-N 2.78Å; E413-L415 VanDerWaalsContact C-N 3.29Å; E413-L415 PolarHBondContact O-N 3.32Å; E413-S416 PolarHBondContact O-N 3.12Å; E413-S416 PolarHBondContact O-OG 2.86Å; E413-S416 VanDerWaalsContact O-OG 3.06Å; E413-T417 HydrophobicContact CG-CG2 4.5Å; E413-T417 WeakPolarHBondContact O-CB 3.48Å; E413-T417 WeakPolarHBondContact O-CG2 3.32Å; E413-T417 PolarHBondContact O-N 3Å; E413-T417 PolarHBondContact O-OG1 2.84Å
414A89.2Confident90.5Very high41 Ų4191.8 Ų91.834%0.33948%0.484SS..Hα-helixtrans-60.9-38.5170.300000111.9I410 T417 Q418I410-A414 WeakPolarHBondContact O-CB 3.48Å; I410-A414 PolarHBondContact O-N 3.12Å; A414-T417 PolarHBondContact O-OG1 2.77Å; A414-T417 VanDerWaalsContact O-OG1 3.13Å; A414-Q418 WeakPolarHBondContact O-CB 3.38Å; A414-Q418 WeakPolarHBondContact O-CG 3.39Å; A414-Q418 PolarHBondContact O-N 3.25Å
415L89.8Confident90.4Very high108 Ų10890.4 Ų90.457%0.56548%0.481SS*.Hα-helixtrans-73.9-39.3177.8-170.9149.2000112.3L411 L412 E413 Q418 T419L411-L415 VanDerWaalsContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.33Å; L411-L415 PolarHBondContact O-N 3.36Å; L412-L415 PolarHBondContact O-N 3.2Å; E413-L415 VanDerWaalsContact C-N 3.29Å; E413-L415 PolarHBondContact O-N 3.32Å; L415-Q418 PolarHBondContact O-N 3.47Å; L415-T419 WeakPolarHBondContact O-CB 3.41Å; L415-T419 PolarHBondContact O-N 2.88Å; L415-T419 PolarHBondContact O-OG1 3.14Å
416S88.9Confident90.4Very high65 Ų6594.8 Ų94.846%0.45549%0.485SS..Hα-helixtrans-66.2-42.9176.874.20000111.5L412 E413 T419 S420L412-S416 WeakPolarHBondContact O-CB 3.31Å; L412-S416 PolarHBondContact O-N 3.26Å; E413-S416 PolarHBondContact O-N 3.12Å; E413-S416 PolarHBondContact O-OG 2.86Å; E413-S416 VanDerWaalsContact O-OG 3.06Å; S416-T419 WeakPolarHBondContact O-CB 3.45Å; S416-T419 PolarHBondContact O-N 2.92Å; S416-S420 PolarHBondContact O-N 3.36Å
417T89.9Confident90.4Very high59 Ų5996.6 Ų96.636%0.36249%0.493SS..Hα-helixtrans-68.4-36.4176.555.10000112.7E413 A414 K421E413-T417 HydrophobicContact CG-CG2 4.5Å; E413-T417 WeakPolarHBondContact O-CB 3.48Å; E413-T417 WeakPolarHBondContact O-CG2 3.32Å; E413-T417 PolarHBondContact O-N 3Å; E413-T417 PolarHBondContact O-OG1 2.84Å; A414-T417 PolarHBondContact O-OG1 2.77Å; A414-T417 VanDerWaalsContact O-OG1 3.13Å; T417-K421 VanDerWaalsContact O-CG 3.28Å; T417-K421 WeakPolarHBondContact O-CG 3.41Å; T417-K421 PolarHBondContact O-N 2.68Å
418Q91.3Very high90.2Very high82 Ų8295.9 Ų95.938%0.38349%0.49SS..Hα-helixtrans-64.3-39168.9-78.7-174.313.100112.5A414 L415 K421 L422 G1001A414-Q418 WeakPolarHBondContact O-CB 3.38Å; A414-Q418 WeakPolarHBondContact O-CG 3.39Å; A414-Q418 PolarHBondContact O-N 3.25Å; L415-Q418 PolarHBondContact O-N 3.47Å; Q418-K421 PolarHBondContact O-N 2.73Å; Q418-L422 WeakPolarHBondContact O-CB 3.46Å; Q418-L422 PolarHBondContact O-N 2.86Å; Q418-G1001 PolarHBondContact NE2-O 2.66Å
419T92.9Very high90Very high59 Ų5992.7 Ų92.736%0.36249%0.485SS..Hα-helixtrans-64.5-46.2177.6-56.80000111.1L415 S416 K421 L422 E423L415-T419 WeakPolarHBondContact O-CB 3.41Å; L415-T419 PolarHBondContact O-N 2.88Å; L415-T419 PolarHBondContact O-OG1 3.14Å; S416-T419 WeakPolarHBondContact O-CB 3.45Å; S416-T419 PolarHBondContact O-N 2.92Å; T419-K421 PolarHBondContact O-N 2.9Å; T419-L422 WeakPolarHBondContact O-CB 3.43Å; T419-L422 PolarHBondContact O-N 3.48Å; T419-L422 VanDerWaalsContact O-N 3.13Å; T419-E423 WeakPolarHBondContact O-CG 3.38Å; T419-E423 PolarHBondContact O-N 3.16Å
420S88.3Confident89.6Confident75 Ų7593.8 Ų93.852%0.52448%0.481SS..Hα-helixtrans-59-43.5174.6179.40000112.4S416 L422 E423 H424S416-S420 PolarHBondContact O-N 3.36Å; S420-L422 PolarHBondContact O-N 3.31Å; S420-E423 PolarHBondContact O-N 3.19Å; S420-H424 WeakPolarHBondContact O-CB 3.36Å; S420-H424 PolarHBondContact O-N 3.22Å
421K93.4Very high89.3Confident106 Ų10694 Ų9446%0.46148%0.479SS..Hα-helixtrans-60.4-43.3172.8-71.8171.4-171.3-177.30112T417 Q418 T419 E423 H424 C425 S1002T417-K421 VanDerWaalsContact O-CG 3.28Å; T417-K421 WeakPolarHBondContact O-CG 3.41Å; T417-K421 PolarHBondContact O-N 2.68Å; Q418-K421 PolarHBondContact O-N 2.73Å; T419-K421 PolarHBondContact O-N 2.9Å; K421-E423 PolarHBondContact O-N 3.24Å; K421-H424 PolarHBondContact O-N 3.2Å; K421-C425 PolarHBondContact O-N 2.88Å; K421-C425 PolarHBondContact O-SG 2.87Å; K421-S1002 PolarHBondContact NZ-OG 3.28Å
422L92.5Very high88.7Confident91 Ų9193.4 Ų93.448%0.47648%0.477SS..Hα-helixtrans-63.4-40.4177.9-176.168.2000112Q418 T419 S420 C425 R426Q418-L422 WeakPolarHBondContact O-CB 3.46Å; Q418-L422 PolarHBondContact O-N 2.86Å; T419-L422 WeakPolarHBondContact O-CB 3.43Å; T419-L422 PolarHBondContact O-N 3.48Å; T419-L422 VanDerWaalsContact O-N 3.13Å; S420-L422 PolarHBondContact O-N 3.31Å; L422-C425 PolarHBondContact O-N 3.14Å; L422-R426 WeakPolarHBondContact O-CB 3.4Å; L422-R426 VanDerWaalsContact O-CG 3.27Å; L422-R426 WeakPolarHBondContact O-CG 3.29Å; L422-R426 PolarHBondContact O-N 2.85Å
423E87.3Confident88Confident110 Ų11093.3 Ų93.351%0.51447%0.472SS..Hα-helixtrans-67.9-40.3175.7-71.5180161.700112T419 S420 K421 R426 F427T419-E423 WeakPolarHBondContact O-CG 3.38Å; T419-E423 PolarHBondContact O-N 3.16Å; S420-E423 PolarHBondContact O-N 3.19Å; K421-E423 PolarHBondContact O-N 3.24Å; E423-R426 WeakPolarHBondContact O-CB 3.35Å; E423-R426 PolarHBondContact O-N 2.66Å; E423-F427 WeakPolarHBondContact O-CB 3.35Å; E423-F427 PolarHBondContact O-N 2.9Å
424H89.8Confident87.2Confident109 Ų10992.5 Ų92.551%0.50547%0.468SS..Hα-helixtrans-61.4-45.5172.9-169.278.9000111.8S420 K421 R426 F427 Q428S420-H424 WeakPolarHBondContact O-CB 3.36Å; S420-H424 PolarHBondContact O-N 3.22Å; K421-H424 PolarHBondContact O-N 3.2Å; H424-R426 PolarHBondContact O-N 3.47Å; H424-F427 PolarHBondContact O-N 2.72Å; H424-Q428 PolarHBondContact CD2-NE2 3.49Å; H424-Q428 PolarHBondContact NE2-NE2 2.86Å; H424-Q428 WeakPolarHBondContact O-CG 3.17Å; H424-Q428 PolarHBondContact O-N 3.18Å
425C88.9Confident86.2Confident62 Ų6296.2 Ų96.242%0.41948%0.482SS..Hα-helixtrans-63-39.2174.7-66.90000112.4K421 L422 F427 Q428 I429K421-C425 PolarHBondContact O-N 2.88Å; K421-C425 PolarHBondContact O-SG 2.87Å; L422-C425 PolarHBondContact O-N 3.14Å; C425-F427 VanDerWaalsContact C-N 3.33Å; C425-F427 PolarHBondContact O-N 3.3Å; C425-Q428 PolarHBondContact O-N 3.12Å; C425-I429 WeakPolarHBondContact O-CB 3.34Å; C425-I429 WeakPolarHBondContact O-CD1 3.3Å; C425-I429 VanDerWaalsContact O-CG1 3.25Å; C425-I429 WeakPolarHBondContact O-CG1 3.34Å; C425-I429 PolarHBondContact O-N 3.02Å
426R89.6Confident84.7Confident151 Ų15195.7 Ų95.757%0.5748%0.479SS*.Hα-helixtrans-61.3-41.1172.8-76.4168.2174.4176.5-0.5111.8L422 E423 H424 I429 E430L422-R426 WeakPolarHBondContact O-CB 3.4Å; L422-R426 VanDerWaalsContact O-CG 3.27Å; L422-R426 WeakPolarHBondContact O-CG 3.29Å; L422-R426 PolarHBondContact O-N 2.85Å; E423-R426 WeakPolarHBondContact O-CB 3.35Å; E423-R426 PolarHBondContact O-N 2.66Å; H424-R426 PolarHBondContact O-N 3.47Å; R426-I429 PolarHBondContact O-N 3.48Å; R426-E430 WeakPolarHBondContact O-CB 3.38Å; R426-E430 PolarHBondContact O-N 3.34Å
427F88.6Confident83.5Confident130 Ų13098.9 Ų98.957%0.5749%0.49SS*.Hα-helixtrans-68-40.6177.7-175-127.6000112.2E423 H424 C425 E430 Q431E423-F427 WeakPolarHBondContact O-CB 3.35Å; E423-F427 PolarHBondContact O-N 2.9Å; H424-F427 PolarHBondContact O-N 2.72Å; C425-F427 VanDerWaalsContact C-N 3.33Å; C425-F427 PolarHBondContact O-N 3.3Å; F427-E430 PolarHBondContact O-N 3.24Å; F427-Q431 HydrophobicContact CE2-CG 4.43Å; F427-Q431 HydrophobicContact CZ-CG 4.45Å; F427-Q431 WeakPolarHBondContact O-CG 3.37Å; F427-Q431 PolarHBondContact O-N 2.71Å
428Q88.8Confident82.1Confident93 Ų93100.9 Ų100.944%0.43550%0.502SS..Hα-helixtrans-59.6-46.1171-70.8-179.20.200111.9H424 C425 E430 Q431 L432H424-Q428 PolarHBondContact CD2-NE2 3.49Å; H424-Q428 PolarHBondContact NE2-NE2 2.86Å; H424-Q428 WeakPolarHBondContact O-CG 3.17Å; H424-Q428 PolarHBondContact O-N 3.18Å; C425-Q428 PolarHBondContact O-N 3.12Å; Q428-E430 VanDerWaalsContact C-N 3.32Å; Q428-E430 PolarHBondContact O-N 2.91Å; Q428-Q431 PolarHBondContact O-N 2.72Å; Q428-L432 WeakPolarHBondContact O-CG 3.26Å; Q428-L432 PolarHBondContact O-N 2.95Å
429I85.3Confident80Confident109 Ų109102.1 Ų102.156%0.55951%0.511SS*.Hα-helixtrans-60.3-42.1176.8-70.8163.8000111C425 R426 L432 K433C425-I429 WeakPolarHBondContact O-CB 3.34Å; C425-I429 WeakPolarHBondContact O-CD1 3.3Å; C425-I429 VanDerWaalsContact O-CG1 3.25Å; C425-I429 WeakPolarHBondContact O-CG1 3.34Å; C425-I429 PolarHBondContact O-N 3.02Å; R426-I429 PolarHBondContact O-N 3.48Å; I429-L432 PolarHBondContact O-N 3.38Å; I429-K433 WeakPolarHBondContact O-CB 3.44Å; I429-K433 PolarHBondContact O-N 2.98Å
430E83.2Confident77.9Confident77 Ų77110.7 Ų110.736%0.3654%0.537SS..Hα-helixtrans-71.9-32.9178.9-165.257.6-139.200112.5R426 F427 Q428 K433 H434R426-E430 WeakPolarHBondContact O-CB 3.38Å; R426-E430 PolarHBondContact O-N 3.34Å; F427-E430 PolarHBondContact O-N 3.24Å; Q428-E430 VanDerWaalsContact C-N 3.32Å; Q428-E430 PolarHBondContact O-N 2.91Å; E430-K433 IonicContact OE1-NZ 2.71Å; E430-K433 PolarHBondContact OE1-NZ 2.9Å; E430-K433 IonicContact OE2-NZ 2.6Å; E430-K433 PolarHBondContact OE2-NZ 3.4Å; E430-H434 WeakPolarHBondContact O-CB 3.27Å; E430-H434 PolarHBondContact O-N 2.64Å; E430-H434 IonicContact OE1-CD2 3.4Å
431Q83.2Confident76.1Confident95 Ų95110 Ų11044%0.44454%0.542SS..Hα-helixtrans-64.3-48.7169.5-76.5-173.838.500112.2F427 Q428 K433 H434 L435F427-Q431 HydrophobicContact CE2-CG 4.43Å; F427-Q431 HydrophobicContact CZ-CG 4.45Å; F427-Q431 WeakPolarHBondContact O-CG 3.37Å; F427-Q431 PolarHBondContact O-N 2.71Å; Q428-Q431 PolarHBondContact O-N 2.72Å; Q431-K433 VanDerWaalsContact C-N 3.29Å; Q431-K433 PolarHBondContact O-N 3.44Å; Q431-H434 CarbonylContact O-C 3.56Å; Q431-H434 WeakPolarHBondContact O-CA 3.4Å; Q431-H434 WeakPolarHBondContact O-CB 3.48Å; Q431-H434 PolarHBondContact O-N 3.07Å; Q431-L435 WeakPolarHBondContact O-CD1 3.43Å; Q431-L435 PolarHBondContact O-N 2.87Å
432L80.7Confident73.8Confident109 Ų109106.3 Ų106.357%0.57153%0.531SS*.Hα-helixtrans-58.9-43.3176.7-72.2168.5000110.8Q428 I429 H434 L435 L436Q428-L432 WeakPolarHBondContact O-CG 3.26Å; Q428-L432 PolarHBondContact O-N 2.95Å; I429-L432 PolarHBondContact O-N 3.38Å; L432-H434 VanDerWaalsContact C-N 3.33Å; L432-H434 PolarHBondContact O-N 2.98Å; L432-L435 PolarHBondContact O-N 3.48Å; L432-L436 WeakPolarHBondContact O-CB 3.28Å; L432-L436 VanDerWaalsContact O-CG 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.41Å; L432-L436 PolarHBondContact O-N 3.47Å
433K77Confident71.6Confident96 Ų96110.3 Ų110.342%0.41755%0.547SS..Hα-helixtrans-61.1-38.2172.4173.3162159.7-870112.3I429 E430 Q431 L437I429-K433 WeakPolarHBondContact O-CB 3.44Å; I429-K433 PolarHBondContact O-N 2.98Å; E430-K433 IonicContact OE1-NZ 2.71Å; E430-K433 PolarHBondContact OE1-NZ 2.9Å; E430-K433 IonicContact OE2-NZ 2.6Å; E430-K433 PolarHBondContact OE2-NZ 3.4Å; Q431-K433 VanDerWaalsContact C-N 3.29Å; Q431-K433 PolarHBondContact O-N 3.44Å; K433-L437 HydrophobicContact CG-CD1 3.93Å; K433-L437 WeakPolarHBondContact O-CB 3.26Å; K433-L437 WeakPolarHBondContact O-CD1 3.42Å; K433-L437 WeakPolarHBondContact O-CG 3.45Å; K433-L437 PolarHBondContact O-N 3Å
434H71.9Confident69.9Low115 Ų115109.1 Ų109.153%0.53255%0.548SS..Hα-helixtrans-67.3-41.6173.7-110.1-77.3000112.9E430 Q431 L432 L437 T438E430-H434 WeakPolarHBondContact O-CB 3.27Å; E430-H434 PolarHBondContact O-N 2.64Å; E430-H434 IonicContact OE1-CD2 3.4Å; Q431-H434 CarbonylContact O-C 3.56Å; Q431-H434 WeakPolarHBondContact O-CA 3.4Å; Q431-H434 WeakPolarHBondContact O-CB 3.48Å; Q431-H434 PolarHBondContact O-N 3.07Å; L432-H434 VanDerWaalsContact C-N 3.33Å; L432-H434 PolarHBondContact O-N 2.98Å; H434-L437 PolarHBondContact O-N 3.09Å; H434-T438 VanDerWaalsContact O-CB 3.28Å; H434-T438 WeakPolarHBondContact O-CB 3.27Å; H434-T438 PolarHBondContact O-N 3.26Å; H434-T438 PolarHBondContact O-OG1 3.46Å
435L69.9Low68.2Low120 Ų120109.7 Ų109.763%0.62856%0.561SS**Hα-helixtrans-60.4-50.2172.4-91.678.9000110.8Q431 L432 L437 T438 D439Q431-L435 WeakPolarHBondContact O-CD1 3.43Å; Q431-L435 PolarHBondContact O-N 2.87Å; L432-L435 PolarHBondContact O-N 3.48Å; L435-L437 PolarHBondContact O-N 3.22Å; L435-T438 PolarHBondContact O-N 3.28Å; L435-D439 PolarHBondContact O-N 3.46Å
436L56.5Low67Low97 Ų97108.1 Ų108.151%0.50856%0.555SS.*Hα-helixtrans-61.2-25.5179.4-72.4166.8000113.9L432L432-L436 WeakPolarHBondContact O-CB 3.28Å; L432-L436 VanDerWaalsContact O-CG 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.41Å; L432-L436 PolarHBondContact O-N 3.47Å
437L64.2Low65.5Low131 Ų131104.4 Ų104.469%0.68655%0.553SS**Hα-helixtrans-90.4-15.7174.4-71.5169.8000113.7K433 H434 L435K433-L437 HydrophobicContact CG-CD1 3.93Å; K433-L437 WeakPolarHBondContact O-CB 3.26Å; K433-L437 WeakPolarHBondContact O-CD1 3.42Å; K433-L437 WeakPolarHBondContact O-CG 3.45Å; K433-L437 PolarHBondContact O-N 3Å; H434-L437 PolarHBondContact O-N 3.09Å; L435-L437 PolarHBondContact O-N 3.22Å
438T60.1Low64.1Low102 Ų102103 Ų10363%0.62654%0.544SS*.Hα-helixtrans-100.3-25.2-177.7-52.10000112.4H434 L435 R440H434-T438 VanDerWaalsContact O-CB 3.28Å; H434-T438 WeakPolarHBondContact O-CB 3.27Å; H434-T438 PolarHBondContact O-N 3.26Å; H434-T438 PolarHBondContact O-OG1 3.46Å; L435-T438 PolarHBondContact O-N 3.28Å; T438-R440 PolarHBondContact O-N 2.92Å
439D47.3Very low63.3Low107 Ų107102.1 Ų102.157%0.57254%0.539SS*.  trans-68.6100175.3-175.88.4000111.8L435 G441L435-D439 PolarHBondContact O-N 3.46Å; D439-G441 VanDerWaalsContact C-N 3.25Å; D439-G441 PolarHBondContact O-N 2.88Å; D439-G441 WeakPolarHBondContact OD1-CA 3.41Å; D439-G441 PolarHBondContact OD1-N 3.42Å
440R48.5Very low62.7Low239 Ų239102.4 Ų102.490%0.90254%0.542SS*.THydrogen-bonded Turntrans-79.9-2.9179.6-146.9174.4-174-176.61.1113.3T438T438-R440 PolarHBondContact O-N 2.92Å
441G51.9Low62.3Low60 Ų60102.7 Ų102.762%0.61954%0.543SS*.THydrogen-bonded Turntrans-84.4-23.1-179.200000114.9D439 Q443D439-G441 VanDerWaalsContact C-N 3.25Å; D439-G441 PolarHBondContact O-N 2.88Å; D439-G441 WeakPolarHBondContact OD1-CA 3.41Å; D439-G441 PolarHBondContact OD1-N 3.42Å; G441-Q443 PolarHBondContact O-N 3.36Å
442A45.3Very low61.8Low29 Ų29102.6 Ų102.624%0.2454%0.541CS..  trans-77.453.7-171.200000115R448A442-R448 PolarHBondContact O-NH2 3.44Å
443Q45.6Very low61.7Low175 Ų175101.6 Ų101.682%0.81854%0.542SS*.  trans-98.718.5174.6-70.1-160.6-2.400114.7G441G441-Q443 PolarHBondContact O-N 3.36Å
444T52.7Low61.8Low86 Ų86103.3 Ų103.353%0.52855%0.552SS.*SBendtrans-102.4116.9166.548.50000110.2G446 S447T444-G446 PolarHBondContact O-N 3.28Å; T444-S447 PolarHBondContact O-N 3.03Å; T444-S447 WeakPolarHBondContact OG1-CB 3.08Å
445P53.7Low62.3Low121 Ų121101.5 Ų101.579%0.78655%0.546SS*.THydrogen-bonded Turntrans-79.153.9-172.634.4-37.8000112.9E449P445-E449 VanDerWaalsContact C-OE2 3.3Å
446G62.3Low62.8Low28 Ų28104.4 Ų104.429%0.28955%0.55SS..THydrogen-bonded Turntrans-160.2-23.4171.400000112.3T444 R448 E449 N450T444-G446 PolarHBondContact O-N 3.28Å; G446-R448 VanDerWaalsContact C-N 3.33Å; G446-R448 PolarHBondContact O-N 2.67Å; G446-E449 VanDerWaalsContact CA-OE2 3.27Å; G446-E449 WeakPolarHBondContact CA-OE2 3.48Å; G446-E449 PolarHBondContact N-OE2 3.34Å; G446-N450 WeakPolarHBondContact O-CB 3.35Å; G446-N450 PolarHBondContact O-N 2.84Å; G446-N450 PolarHBondContact O-ND2 3.21Å
447S58.8Low64.3Low74 Ų74102.7 Ų102.752%0.51755%0.549SS..Hα-helixtrans-69.6-30.7177.9-167.20000112.9T444 H451T444-S447 PolarHBondContact O-N 3.03Å; T444-S447 WeakPolarHBondContact OG1-CB 3.08Å; S447-H451 PolarHBondContact O-N 3.08Å
448R58.7Low65.4Low101 Ų10199.7 Ų99.738%0.38154%0.539SS..Hα-helixtrans-81.1-39.7-179.1-161.2-168.4-53.4113.1-1.8110.7A442 G446 H451 F452A442-R448 PolarHBondContact O-NH2 3.44Å; G446-R448 VanDerWaalsContact C-N 3.33Å; G446-R448 PolarHBondContact O-N 2.67Å; R448-H451 PolarHBondContact O-N 3.06Å; R448-F452 HydrophobicContact CG-CD2 4.39Å; R448-F452 HydrophobicContact CG-CE2 3.8Å; R448-F452 HydrophobicContact CG-CZ 4.38Å; R448-F452 WeakPolarHBondContact O-CD2 3.24Å; R448-F452 PolarHBondContact O-N 3.14Å
449E71.7Confident66.6Low74 Ų7499.8 Ų99.835%0.34654%0.535SS..Hα-helixtrans-66.4-42.5179-64.364.2-142.900110.4P445 G446 H451 F452 C453P445-E449 VanDerWaalsContact C-OE2 3.3Å; G446-E449 VanDerWaalsContact CA-OE2 3.27Å; G446-E449 WeakPolarHBondContact CA-OE2 3.48Å; G446-E449 PolarHBondContact N-OE2 3.34Å; E449-H451 PolarHBondContact O-N 2.94Å; E449-F452 PolarHBondContact O-N 2.93Å; E449-C453 PolarHBondContact O-N 3.05Å; E449-C453 PolarHBondContact O-SG 3.23Å; E449-C453 VanDerWaalsContact O-SG 3.36Å
450N73.6Confident68.4Low114 Ų11498.4 Ų98.461%0.6153%0.525SS*.Hα-helixtrans-60.4-43.3171.6-74.6-9.2000112.5G446 F452 C453 E454G446-N450 WeakPolarHBondContact O-CB 3.35Å; G446-N450 PolarHBondContact O-N 2.84Å; G446-N450 PolarHBondContact O-ND2 3.21Å; N450-F452 PolarHBondContact O-N 3.32Å; N450-C453 WeakPolarHBondContact O-CB 3.37Å; N450-C453 PolarHBondContact O-N 3.17Å; N450-E454 WeakPolarHBondContact O-CB 3.42Å; N450-E454 PolarHBondContact O-N 3.37Å
451H75.4Confident70.5Confident84 Ų8493.8 Ų93.839%0.38951%0.514SS..Hα-helixtrans-65.6-36.5178.3-173.952.7000112.5S447 R448 E449 E454 L455S447-H451 PolarHBondContact O-N 3.08Å; R448-H451 PolarHBondContact O-N 3.06Å; E449-H451 PolarHBondContact O-N 2.94Å; H451-E454 IonicContact ND1-OE2 2.81Å; H451-E454 PolarHBondContact O-N 3.42Å; H451-L455 WeakPolarHBondContact O-CG 3.38Å; H451-L455 PolarHBondContact O-N 2.76Å
452F72Confident72.2Confident93 Ų9396.8 Ų96.841%0.40851%0.512SS..Hα-helixtrans-64.1-40.8170.9-70.6-52.2000112.5R448 E449 N450 L455 Y456R448-F452 HydrophobicContact CG-CD2 4.39Å; R448-F452 HydrophobicContact CG-CE2 3.8Å; R448-F452 HydrophobicContact CG-CZ 4.38Å; R448-F452 WeakPolarHBondContact O-CD2 3.24Å; R448-F452 PolarHBondContact O-N 3.14Å; E449-F452 PolarHBondContact O-N 2.93Å; N450-F452 PolarHBondContact O-N 3.32Å; F452-L455 PolarHBondContact O-N 2.9Å; F452-Y456 WeakPolarHBondContact O-CB 3.45Å; F452-Y456 WeakPolarHBondContact O-CD2 3.48Å; F452-Y456 PolarHBondContact O-N 3.38Å
453C77.8Confident74.4Confident87 Ų87100.4 Ų100.459%0.58852%0.522SS*.Hα-helixtrans-62.8-41174.9-70.10000112.3E449 N450 Y456 A457E449-C453 PolarHBondContact O-N 3.05Å; E449-C453 PolarHBondContact O-SG 3.23Å; E449-C453 VanDerWaalsContact O-SG 3.36Å; N450-C453 WeakPolarHBondContact O-CB 3.37Å; N450-C453 PolarHBondContact O-N 3.17Å; C453-Y456 PolarHBondContact O-N 3.25Å; C453-A457 WeakPolarHBondContact O-CB 3.12Å; C453-A457 PolarHBondContact O-N 3.36Å
454E80.8Confident76.5Confident133 Ų13396.9 Ų96.962%0.62151%0.506SS*.Hα-helixtrans-64.4-46.2176.9-175.5175.1-13700112N450 H451 Y456 A457 S458N450-E454 WeakPolarHBondContact O-CB 3.42Å; N450-E454 PolarHBondContact O-N 3.37Å; H451-E454 IonicContact ND1-OE2 2.81Å; H451-E454 PolarHBondContact O-N 3.42Å; E454-Y456 PolarHBondContact O-N 3.11Å; E454-A457 PolarHBondContact O-N 3.43Å; E454-S458 WeakPolarHBondContact O-CB 3.37Å; E454-S458 PolarHBondContact O-N 2.71Å
455L81.3Confident78.4Confident77 Ų7796.5 Ų96.540%0.40350%0.503SS..Hα-helixtrans-61.5-42.3173.9-72.3172.8000112.1H451 F452 S458 I459H451-L455 WeakPolarHBondContact O-CG 3.38Å; H451-L455 PolarHBondContact O-N 2.76Å; F452-L455 PolarHBondContact O-N 2.9Å; L455-S458 PolarHBondContact O-N 3.28Å; L455-I459 WeakPolarHBondContact O-CB 3.49Å; L455-I459 WeakPolarHBondContact O-CD1 3.41Å; L455-I459 VanDerWaalsContact O-CG1 3.27Å; L455-I459 WeakPolarHBondContact O-CG1 3.38Å; L455-I459 PolarHBondContact O-N 2.88Å
456Y80.9Confident80.1Confident181 Ų18195.2 Ų95.271%0.7149%0.489SS*.Hα-helixtrans-63.6-40175.6-101-76.9000112.6F452 C453 E454 E460F452-Y456 WeakPolarHBondContact O-CB 3.45Å; F452-Y456 WeakPolarHBondContact O-CD2 3.48Å; F452-Y456 PolarHBondContact O-N 3.38Å; C453-Y456 PolarHBondContact O-N 3.25Å; E454-Y456 PolarHBondContact O-N 3.11Å; Y456-E460 WeakPolarHBondContact O-CB 3.4Å; Y456-E460 PolarHBondContact O-N 2.76Å
457A88.8Confident81.4Confident60 Ų6099.2 Ų99.250%0.49650%0.503SS..Hα-helixtrans-64.6-43.3175.800000111.6C453 E454 E460 Q461C453-A457 WeakPolarHBondContact O-CB 3.12Å; C453-A457 PolarHBondContact O-N 3.36Å; E454-A457 PolarHBondContact O-N 3.43Å; A457-E460 PolarHBondContact O-N 3.36Å; A457-Q461 WeakPolarHBondContact O-CB 3.08Å; A457-Q461 PolarHBondContact O-N 3.42Å
458S86.2Confident82.8Confident69 Ų6997.1 Ų97.148%0.48349%0.494SS..Hα-helixtrans-62.4-46.2177-175.70000112.3E454 L455 Q461 E462E454-S458 WeakPolarHBondContact O-CB 3.37Å; E454-S458 PolarHBondContact O-N 2.71Å; L455-S458 PolarHBondContact O-N 3.28Å; S458-Q461 PolarHBondContact O-N 3.26Å; S458-E462 PolarHBondContact O-N 3.14Å
459I84.5Confident84.5Confident104 Ų10497.3 Ų97.353%0.53350%0.499SS..Hα-helixtrans-64.8-40.9178.4-68.9165.4000111.6L455 K463L455-I459 WeakPolarHBondContact O-CB 3.49Å; L455-I459 WeakPolarHBondContact O-CD1 3.41Å; L455-I459 VanDerWaalsContact O-CG1 3.27Å; L455-I459 WeakPolarHBondContact O-CG1 3.38Å; L455-I459 PolarHBondContact O-N 2.88Å; I459-K463 VanDerWaalsContact O-CB 3.29Å; I459-K463 WeakPolarHBondContact O-CB 3.37Å; I459-K463 PolarHBondContact O-N 2.89Å
460E87Confident85.3Confident78 Ų7899.1 Ų99.136%0.36451%0.511SS..Hα-helixtrans-67.9-37.8175.9-17657.7-143.300111.4Y456 A457 K463 Q464Y456-E460 WeakPolarHBondContact O-CB 3.4Å; Y456-E460 PolarHBondContact O-N 2.76Å; A457-E460 PolarHBondContact O-N 3.36Å; E460-K463 WeakPolarHBondContact O-CB 3.46Å; E460-K463 PolarHBondContact O-N 3.48Å; E460-K463 IonicContact OE1-NZ 3.49Å; E460-K463 PolarHBondContact OE1-NZ 2.8Å; E460-K463 IonicContact OE2-NZ 2.86Å; E460-K463 PolarHBondContact OE2-NZ 3.29Å; E460-Q464 WeakPolarHBondContact O-CG 3.43Å; E460-Q464 PolarHBondContact O-N 2.87Å; E460-Q464 PolarHBondContact OE1-NE2 2.76Å
461Q92Very high86.1Confident142 Ų14297.9 Ų97.966%0.66450%0.504SS*.Hα-helixtrans-62.9-47.4175-175.9177-1.500112A457 S458 K463 Q464 V465A457-Q461 WeakPolarHBondContact O-CB 3.08Å; A457-Q461 PolarHBondContact O-N 3.42Å; S458-Q461 PolarHBondContact O-N 3.26Å; Q461-K463 VanDerWaalsContact C-N 3.32Å; Q461-K463 PolarHBondContact O-N 3.21Å; Q461-Q464 PolarHBondContact O-N 3.32Å; Q461-V465 WeakPolarHBondContact O-CG2 3.35Å; Q461-V465 PolarHBondContact O-N 2.86Å; Q461-V465 VanDerWaalsContact O-N 3.1Å
462E87.8Confident86.8Confident122 Ų12298.6 Ų98.657%0.5751%0.511SS*.Hα-helixtrans-59.5-44175.8-174.8179-163.600111.2S458 Q464 V465 L466S458-E462 PolarHBondContact O-N 3.14Å; E462-Q464 VanDerWaalsContact C-N 3.32Å; E462-Q464 PolarHBondContact O-N 2.87Å; E462-V465 PolarHBondContact O-N 2.97Å; E462-V465 VanDerWaalsContact O-N 3.17Å; E462-L466 HydrophobicContact CG-CD1 4.1Å; E462-L466 HydrophobicContact CG-CG 4.48Å; E462-L466 WeakPolarHBondContact O-CG 3.4Å; E462-L466 PolarHBondContact O-N 3.09Å
463K89.9Confident87.7Confident105 Ų10599.6 Ų99.646%0.45752%0.52SS..Hα-helixtrans-57.3-40.1174.9163.6167.9159.5-83.50112.9I459 E460 Q461 L467I459-K463 VanDerWaalsContact O-CB 3.29Å; I459-K463 WeakPolarHBondContact O-CB 3.37Å; I459-K463 PolarHBondContact O-N 2.89Å; E460-K463 WeakPolarHBondContact O-CB 3.46Å; E460-K463 PolarHBondContact O-N 3.48Å; E460-K463 IonicContact OE1-NZ 3.49Å; E460-K463 PolarHBondContact OE1-NZ 2.8Å; E460-K463 IonicContact OE2-NZ 2.86Å; E460-K463 PolarHBondContact OE2-NZ 3.29Å; Q461-K463 VanDerWaalsContact C-N 3.32Å; Q461-K463 PolarHBondContact O-N 3.21Å; K463-L467 WeakPolarHBondContact O-CB 3.44Å; K463-L467 PolarHBondContact O-N 3.32Å
464Q91Very high88.2Confident102 Ų10298.1 Ų98.148%0.47751%0.514SS..Hα-helixtrans-69.7-38.5176.4-65.1-62.4-22.600112.3E460 Q461 E462 L467 G468E460-Q464 WeakPolarHBondContact O-CG 3.43Å; E460-Q464 PolarHBondContact O-N 2.87Å; E460-Q464 PolarHBondContact OE1-NE2 2.76Å; Q461-Q464 PolarHBondContact O-N 3.32Å; E462-Q464 VanDerWaalsContact C-N 3.32Å; E462-Q464 PolarHBondContact O-N 2.87Å; Q464-L467 PolarHBondContact O-N 3.21Å; Q464-G468 PolarHBondContact O-N 3.04Å; Q464-G468 VanDerWaalsContact O-N 3.09Å
465V92.8Very high88.7Confident78 Ų7896.9 Ų96.947%0.47351%0.508SS..Hα-helixtrans-61.9-46.5174.7173.30000111.2Q461 E462 L467 G468 Q469Q461-V465 WeakPolarHBondContact O-CG2 3.35Å; Q461-V465 PolarHBondContact O-N 2.86Å; Q461-V465 VanDerWaalsContact O-N 3.1Å; E462-V465 PolarHBondContact O-N 2.97Å; E462-V465 VanDerWaalsContact O-N 3.17Å; V465-L467 VanDerWaalsContact C-N 3.31Å; V465-L467 PolarHBondContact O-N 3.09Å; V465-G468 PolarHBondContact O-N 2.99Å; V465-Q469 WeakPolarHBondContact O-CG 3.41Å; V465-Q469 PolarHBondContact O-N 2.99Å
466L88.3Confident89.1Confident94 Ų9496.9 Ų96.949%0.49252%0.515SS..Hα-helixtrans-63.4-35.3176.8-69.4171.5000112.4E462 N470E462-L466 HydrophobicContact CG-CD1 4.1Å; E462-L466 HydrophobicContact CG-CG 4.48Å; E462-L466 WeakPolarHBondContact O-CG 3.4Å; E462-L466 PolarHBondContact O-N 3.09Å; L466-N470 WeakPolarHBondContact O-CB 3.31Å; L466-N470 PolarHBondContact O-N 3.25Å
467L89.2Confident89.3Confident111 Ų11192 Ų9258%0.58151%0.507SS*.Hα-helixtrans-66.1-39.4176.5-151.778.8000112K463 Q464 V465 N471K463-L467 WeakPolarHBondContact O-CB 3.44Å; K463-L467 PolarHBondContact O-N 3.32Å; Q464-L467 PolarHBondContact O-N 3.21Å; V465-L467 VanDerWaalsContact C-N 3.31Å; V465-L467 PolarHBondContact O-N 3.09Å; L467-N471 PolarHBondContact O-N 3.18Å
468G90.1Very high89.4Confident31 Ų3193.8 Ų93.832%0.3251%0.505SS..Hα-helixtrans-62-56172.600000111.9Q464 V465 N470 N471 D472Q464-G468 PolarHBondContact O-N 3.04Å; Q464-G468 VanDerWaalsContact O-N 3.09Å; V465-G468 PolarHBondContact O-N 2.99Å; G468-N470 PolarHBondContact O-N 3.4Å; G468-N471 WeakPolarHBondContact O-CA 3.48Å; G468-N471 WeakPolarHBondContact O-CB 3.44Å; G468-N471 PolarHBondContact O-N 3.4Å; G468-D472 PolarHBondContact O-N 3.14Å
469Q92.9Very high89.6Confident104 Ų10493.2 Ų93.249%0.48650%0.501SS..Hα-helixtrans-54.8-38.9179.1-70.3176.6-4.300112.9V465 D472 L473V465-Q469 WeakPolarHBondContact O-CG 3.41Å; V465-Q469 PolarHBondContact O-N 2.99Å; Q469-D472 PolarHBondContact O-N 3.35Å; Q469-L473 WeakPolarHBondContact O-CB 3.45Å; Q469-L473 VanDerWaalsContact O-CG 3.28Å; Q469-L473 WeakPolarHBondContact O-CG 3.48Å; Q469-L473 PolarHBondContact O-N 3.19Å
470N88.1Confident89.9Confident112 Ų11293.1 Ų93.160%0.59950%0.501SS*.Hα-helixtrans-67.4-33.3176.5-17980.4000113.1L466 G468 A474L466-N470 WeakPolarHBondContact O-CB 3.31Å; L466-N470 PolarHBondContact O-N 3.25Å; G468-N470 PolarHBondContact O-N 3.4Å; N470-A474 WeakPolarHBondContact O-CB 3.35Å; N470-A474 PolarHBondContact O-N 3.11Å; N470-A474 VanDerWaalsContact O-N 3.1Å
471N90.7Very high90Very high88 Ų8891.4 Ų91.447%0.47150%0.5SS..Hα-helixtrans-71-40.2174.3-174.336.4000111.7L467 G468 A474 Q475L467-N471 PolarHBondContact O-N 3.18Å; G468-N471 WeakPolarHBondContact O-CA 3.48Å; G468-N471 WeakPolarHBondContact O-CB 3.44Å; G468-N471 PolarHBondContact O-N 3.4Å; N471-A474 PolarHBondContact O-N 3.06Å; N471-Q475 PolarHBondContact ND2-NE2 2.71Å; N471-Q475 WeakPolarHBondContact O-CG 3.4Å; N471-Q475 PolarHBondContact O-N 3.25Å; N471-Q475 PolarHBondContact O-NE2 3.16Å; N471-Q475 PolarHBondContact OD1-NE2 3.45Å
472D90.7Very high89.9Confident99 Ų9990 Ų9053%0.52949%0.488SS..Hα-helixtrans-66.9-42.2178.1-59.5-27.8000111.2G468 Q469 A474 Q475 S476G468-D472 PolarHBondContact O-N 3.14Å; Q469-D472 PolarHBondContact O-N 3.35Å; D472-A474 VanDerWaalsContact C-N 3.34Å; D472-A474 PolarHBondContact O-N 2.97Å; D472-Q475 PolarHBondContact O-N 3.49Å; D472-S476 WeakPolarHBondContact O-CB 3.46Å; D472-S476 PolarHBondContact O-N 3.49Å
473L90.1Very high90.2Very high114 Ų11489.5 Ų89.560%0.59749%0.486SS*.Hα-helixtrans-61.5-39.3172.3-74.8169.6000112.4Q469 S476 S477Q469-L473 WeakPolarHBondContact O-CB 3.45Å; Q469-L473 VanDerWaalsContact O-CG 3.28Å; Q469-L473 WeakPolarHBondContact O-CG 3.48Å; Q469-L473 PolarHBondContact O-N 3.19Å; L473-S476 PolarHBondContact O-N 3.49Å; L473-S477 VanDerWaalsContact O-CB 3.31Å; L473-S477 WeakPolarHBondContact O-CB 3.37Å; L473-S477 PolarHBondContact O-N 3.43Å
474A88.5Confident89.8Confident56 Ų5687.6 Ų87.646%0.46349%0.486SS..Hα-helixtrans-65.2-40.9175.900000112.2N470 N471 D472 S477 E478N470-A474 WeakPolarHBondContact O-CB 3.35Å; N470-A474 PolarHBondContact O-N 3.11Å; N470-A474 VanDerWaalsContact O-N 3.1Å; N471-A474 PolarHBondContact O-N 3.06Å; D472-A474 VanDerWaalsContact C-N 3.34Å; D472-A474 PolarHBondContact O-N 2.97Å; A474-S477 PolarHBondContact O-N 3.32Å; A474-E478 PolarHBondContact O-N 2.92Å
475Q92.4Very high89.8Confident108 Ų10889.3 Ų89.351%0.50549%0.488SS..Hα-helixtrans-67.7-40.5175.9-72174.765.200112.3N471 D472 E478 S479N471-Q475 PolarHBondContact ND2-NE2 2.71Å; N471-Q475 WeakPolarHBondContact O-CG 3.4Å; N471-Q475 PolarHBondContact O-N 3.25Å; N471-Q475 PolarHBondContact O-NE2 3.16Å; N471-Q475 PolarHBondContact OD1-NE2 3.45Å; D472-Q475 PolarHBondContact O-N 3.49Å; Q475-E478 PolarHBondContact O-N 3.33Å; Q475-S479 WeakPolarHBondContact O-CB 3.49Å; Q475-S479 PolarHBondContact O-N 3.33Å
476S89.5Confident89.9Confident77 Ų7789.8 Ų89.854%0.53849%0.486SS..Hα-helixtrans-60.6-46.2173.3-178.70000111.4D472 L473 S479 L480D472-S476 WeakPolarHBondContact O-CB 3.46Å; D472-S476 PolarHBondContact O-N 3.49Å; L473-S476 PolarHBondContact O-N 3.49Å; S476-S479 WeakPolarHBondContact O-CA 3.31Å; S476-S479 WeakPolarHBondContact O-CB 3.29Å; S476-S479 PolarHBondContact O-N 3.09Å; S476-S479 VanDerWaalsContact O-N 3.08Å; S476-L480 PolarHBondContact O-N 3.35Å
477S84.8Confident89.9Confident78 Ų7890 Ų9055%0.54549%0.488SS..Hα-helixtrans-61.6-44.7177-176.60000112.9L473 A474 S479 L480 A481L473-S477 VanDerWaalsContact O-CB 3.31Å; L473-S477 WeakPolarHBondContact O-CB 3.37Å; L473-S477 PolarHBondContact O-N 3.43Å; A474-S477 PolarHBondContact O-N 3.32Å; S477-S479 PolarHBondContact O-N 3.23Å; S477-L480 PolarHBondContact O-N 2.96Å; S477-A481 VanDerWaalsContact O-CB 3.24Å; S477-A481 WeakPolarHBondContact O-CB 3.31Å; S477-A481 PolarHBondContact O-N 2.78Å
478E90.6Very high90Very high97 Ų9789 Ų8945%0.45349%0.487SS..Hα-helixtrans-66.4-25.9174.5-175.265.1-124.500112A474 Q475 R482 R485A474-E478 PolarHBondContact O-N 2.92Å; Q475-E478 PolarHBondContact O-N 3.33Å; E478-R482 WeakPolarHBondContact O-CG 3.44Å; E478-R482 PolarHBondContact O-N 2.81Å; E478-R482 PolarHBondContact O-NE 3.04Å; E478-R482 VanDerWaalsContact O-NE 3.14Å; E478-R482 PolarHBondContact O-NH2 2.9Å; E478-R485 IonicContact OE1-CZ 2.72Å; E478-R485 IonicContact OE1-NH2 3.44Å; E478-R485 PolarHBondContact OE1-NH2 3.24Å
479S90Very high90.1Very high58 Ų5894.2 Ų94.241%0.40650%0.502SS..Hα-helixtrans-75.4-46.6174.9-150.30000112.5Q475 S476 S477 A481 R482 E483Q475-S479 WeakPolarHBondContact O-CB 3.49Å; Q475-S479 PolarHBondContact O-N 3.33Å; S476-S479 WeakPolarHBondContact O-CA 3.31Å; S476-S479 WeakPolarHBondContact O-CB 3.29Å; S476-S479 PolarHBondContact O-N 3.09Å; S476-S479 VanDerWaalsContact O-N 3.08Å; S477-S479 PolarHBondContact O-N 3.23Å; S479-A481 VanDerWaalsContact C-N 3.28Å; S479-A481 PolarHBondContact O-N 3.44Å; S479-R482 WeakPolarHBondContact O-CA 3.4Å; S479-R482 WeakPolarHBondContact O-CB 3.3Å; S479-R482 PolarHBondContact O-N 2.84Å; S479-R482 PolarHBondContact OG-NH1 2.86Å; S479-E483 PolarHBondContact O-N 3.13Å
480L90.7Very high90.1Very high102 Ų10295.7 Ų95.753%0.53451%0.507SS..Hα-helixtrans-60.6-40.5172.5-175.963.6000110.7S476 S477 R482 E483 C484S476-L480 PolarHBondContact O-N 3.35Å; S477-L480 PolarHBondContact O-N 2.96Å; L480-R482 PolarHBondContact O-N 3.29Å; L480-E483 PolarHBondContact O-N 2.98Å; L480-E483 VanDerWaalsContact O-N 3.14Å; L480-C484 PolarHBondContact O-N 3.35Å; L480-C484 PolarHBondContact O-SG 3.43Å
481A89Confident90.1Very high41 Ų4193.2 Ų93.234%0.33950%0.503SS..Hα-helixtrans-65.1-20.3174.100000113.7S477 S479 R485S477-A481 VanDerWaalsContact O-CB 3.24Å; S477-A481 WeakPolarHBondContact O-CB 3.31Å; S477-A481 PolarHBondContact O-N 2.78Å; S479-A481 VanDerWaalsContact C-N 3.28Å; S479-A481 PolarHBondContact O-N 3.44Å; A481-R485 PolarHBondContact O-NE 2.95Å; A481-R485 PolarHBondContact O-NH2 3.08Å
482R91.9Very high90Very high112 Ų11292 Ų9242%0.42350%0.501SS..Hα-helixtrans-82.1-40.6169.8-82.5176.1-95.6113.9-2.5111.4E478 S479 L480 R485 I486E478-R482 WeakPolarHBondContact O-CG 3.44Å; E478-R482 PolarHBondContact O-N 2.81Å; E478-R482 PolarHBondContact O-NE 3.04Å; E478-R482 VanDerWaalsContact O-NE 3.14Å; E478-R482 PolarHBondContact O-NH2 2.9Å; S479-R482 WeakPolarHBondContact O-CA 3.4Å; S479-R482 WeakPolarHBondContact O-CB 3.3Å; S479-R482 PolarHBondContact O-N 2.84Å; S479-R482 PolarHBondContact OG-NH1 2.86Å; L480-R482 PolarHBondContact O-N 3.29Å; R482-R485 WeakPolarHBondContact O-CB 3.48Å; R482-R485 PolarHBondContact O-N 3.43Å; R482-I486 WeakPolarHBondContact O-CG1 3.47Å; R482-I486 PolarHBondContact O-N 3.13Å; R482-I486 VanDerWaalsContact O-N 3.11Å
483E92.5Very high90.1Very high113 Ų11390.1 Ų90.153%0.52850%0.499SS..Hα-helixtrans-61.2-47.3175.1-174.6169.9-163.900111.9S479 L480 R485 I486 L487S479-E483 PolarHBondContact O-N 3.13Å; L480-E483 PolarHBondContact O-N 2.98Å; L480-E483 VanDerWaalsContact O-N 3.14Å; E483-R485 VanDerWaalsContact C-N 3.3Å; E483-R485 PolarHBondContact O-N 3.49Å; E483-I486 PolarHBondContact O-N 2.81Å; E483-I486 VanDerWaalsContact O-N 3.14Å; E483-L487 HydrophobicContact CG-CD1 4.21Å; E483-L487 WeakPolarHBondContact O-CG 3.47Å; E483-L487 PolarHBondContact O-N 3.24Å
484C82.6Confident90.1Very high65 Ų6589.2 Ų89.244%0.43949%0.494SS..Hα-helixtrans-57.4-40.4174-63.60000112.4L480 L487 T488L480-C484 PolarHBondContact O-N 3.35Å; L480-C484 PolarHBondContact O-SG 3.43Å; C484-L487 PolarHBondContact O-N 3.25Å; C484-T488 PolarHBondContact O-N 3.48Å; C484-T488 PolarHBondContact O-OG1 3.39Å; C484-T488 VanDerWaalsContact O-OG1 3.05Å
485R91.4Very high90.2Very high138 Ų13890.9 Ų90.952%0.52149%0.492SS..Hα-helixtrans-60.2-45.5175.5-87.1175-84.4-179.5-6.9111.9E478 A481 R482 E483 L487 T488 E489E478-R485 IonicContact OE1-CZ 2.72Å; E478-R485 IonicContact OE1-NH2 3.44Å; E478-R485 PolarHBondContact OE1-NH2 3.24Å; A481-R485 PolarHBondContact O-NE 2.95Å; A481-R485 PolarHBondContact O-NH2 3.08Å; R482-R485 WeakPolarHBondContact O-CB 3.48Å; R482-R485 PolarHBondContact O-N 3.43Å; E483-R485 VanDerWaalsContact C-N 3.3Å; E483-R485 PolarHBondContact O-N 3.49Å; R485-L487 VanDerWaalsContact C-N 3.34Å; R485-T488 PolarHBondContact O-N 2.93Å; R485-E489 WeakPolarHBondContact O-CB 3.43Å; R485-E489 PolarHBondContact O-N 3.18Å
486I93.6Very high90.2Very high87 Ų8790.9 Ų90.945%0.44650%0.496SS..Hα-helixtrans-66.4-36.3178.1-65.3163.9000111.3R482 E483 K490R482-I486 WeakPolarHBondContact O-CG1 3.47Å; R482-I486 PolarHBondContact O-N 3.13Å; R482-I486 VanDerWaalsContact O-N 3.11Å; E483-I486 PolarHBondContact O-N 2.81Å; E483-I486 VanDerWaalsContact O-N 3.14Å; I486-K490 HydrophobicContact CG2-CD 4.36Å; I486-K490 WeakPolarHBondContact O-CB 3.35Å; I486-K490 WeakPolarHBondContact O-CG 3.25Å; I486-K490 PolarHBondContact O-N 3.01Å
487L88.6Confident90.4Very high100 Ų10091 Ų9152%0.52450%0.496SS..Hα-helixtrans-69.8-38.6175.6-69.1172.5000112.1E483 C484 R485 K490 A491E483-L487 HydrophobicContact CG-CD1 4.21Å; E483-L487 WeakPolarHBondContact O-CG 3.47Å; E483-L487 PolarHBondContact O-N 3.24Å; C484-L487 PolarHBondContact O-N 3.25Å; R485-L487 VanDerWaalsContact C-N 3.34Å; L487-K490 PolarHBondContact O-N 2.81Å; L487-A491 WeakPolarHBondContact O-CB 3.29Å; L487-A491 PolarHBondContact O-N 3.41Å
488T91.4Very high90.8Very high90 Ų9091.9 Ų91.955%0.55249%0.489SS*.Hα-helixtrans-63-46.3171.9-56.90000111.6C484 R485 K490 A491 S492C484-T488 PolarHBondContact O-N 3.48Å; C484-T488 PolarHBondContact O-OG1 3.39Å; C484-T488 VanDerWaalsContact O-OG1 3.05Å; R485-T488 PolarHBondContact O-N 2.93Å; T488-K490 VanDerWaalsContact C-N 3.33Å; T488-K490 PolarHBondContact O-N 3.46Å; T488-A491 PolarHBondContact O-N 2.8Å; T488-A491 VanDerWaalsContact O-N 3.12Å; T488-S492 PolarHBondContact O-N 2.78Å; T488-S492 PolarHBondContact O-OG 2.98Å
489E92.5Very high90.9Very high139 Ų13991.1 Ų91.165%0.6549%0.488SS*.Hα-helixtrans-58.8-42.8177.4-175.4175.8-165.800111.9R485 S492 A493R485-E489 WeakPolarHBondContact O-CB 3.43Å; R485-E489 PolarHBondContact O-N 3.18Å; E489-S492 PolarHBondContact O-N 3.34Å; E489-A493 PolarHBondContact O-N 3.3Å
490K93.1Very high91.1Very high135 Ų13590.3 Ų90.359%0.58748%0.484SS*.Hα-helixtrans-64.9-38.7173.2-75.4176.1175.9-175.50113.3I486 L487 T488 A493 L494I486-K490 HydrophobicContact CG2-CD 4.36Å; I486-K490 WeakPolarHBondContact O-CB 3.35Å; I486-K490 WeakPolarHBondContact O-CG 3.25Å; I486-K490 PolarHBondContact O-N 3.01Å; L487-K490 PolarHBondContact O-N 2.81Å; T488-K490 VanDerWaalsContact C-N 3.33Å; T488-K490 PolarHBondContact O-N 3.46Å; K490-A493 PolarHBondContact O-N 3.14Å; K490-L494 WeakPolarHBondContact O-CB 3.39Å; K490-L494 PolarHBondContact O-N 3.48Å
491A86.8Confident91Very high61 Ų6190.6 Ų90.650%0.50449%0.486SS..Hα-helixtrans-66.3-41.4177.800000111.6L487 T488 L494 Q495L487-A491 WeakPolarHBondContact O-CB 3.29Å; L487-A491 PolarHBondContact O-N 3.41Å; T488-A491 PolarHBondContact O-N 2.8Å; T488-A491 VanDerWaalsContact O-N 3.12Å; A491-L494 PolarHBondContact O-N 3.04Å; A491-Q495 PolarHBondContact O-N 3.42Å
492S89.9Confident91.2Very high63 Ų6392.7 Ų92.744%0.44149%0.489SS..Hα-helixtrans-60.7-48.3172-650000111.8T488 E489 L494 Q495 D496T488-S492 PolarHBondContact O-N 2.78Å; T488-S492 PolarHBondContact O-OG 2.98Å; E489-S492 PolarHBondContact O-N 3.34Å; S492-L494 VanDerWaalsContact C-N 3.25Å; S492-L494 PolarHBondContact O-N 2.68Å; S492-Q495 WeakPolarHBondContact O-CB 3.05Å; S492-Q495 PolarHBondContact O-N 3.31Å; S492-Q495 VanDerWaalsContact O-N 3.08Å; S492-D496 VanDerWaalsContact O-CG 3.32Å; S492-D496 PolarHBondContact O-N 3.15Å
493A92Very high91.3Very high59 Ų5992 Ų9249%0.48850%0.497SS..Hα-helixtrans-63.4-28.817800000113.6E489 K490 S497E489-A493 PolarHBondContact O-N 3.3Å; K490-A493 PolarHBondContact O-N 3.14Å; A493-S497 WeakPolarHBondContact O-CB 3.36Å; A493-S497 PolarHBondContact O-N 3.16Å
494L90.8Very high91.4Very high95 Ų9592.7 Ų92.750%0.49750%0.498SS..Hα-helixtrans-71.8-41.6172.4-160.885.4000111.4K490 A491 S492 S497 Y498K490-L494 WeakPolarHBondContact O-CB 3.39Å; K490-L494 PolarHBondContact O-N 3.48Å; A491-L494 PolarHBondContact O-N 3.04Å; S492-L494 VanDerWaalsContact C-N 3.25Å; S492-L494 PolarHBondContact O-N 2.68Å; L494-S497 WeakPolarHBondContact O-CB 3.41Å; L494-S497 PolarHBondContact O-N 2.78Å; L494-Y498 PolarHBondContact O-N 3.31Å
495Q91Very high91.8Very high90 Ų9095 Ų9542%0.42150%0.502SS..Hα-helixtrans-62.7-48175.7-172.366.355.500111.4A491 S492 S497 Y498 D499A491-Q495 PolarHBondContact O-N 3.42Å; S492-Q495 WeakPolarHBondContact O-CB 3.05Å; S492-Q495 PolarHBondContact O-N 3.31Å; S492-Q495 VanDerWaalsContact O-N 3.08Å; Q495-S497 PolarHBondContact O-N 3.08Å; Q495-Y498 WeakPolarHBondContact O-CB 3.46Å; Q495-Y498 PolarHBondContact O-N 2.94Å; Q495-D499 PolarHBondContact NE2-OD1 2.96Å; Q495-D499 PolarHBondContact O-N 3.32Å
496D92.3Very high91.9Very high109 Ų10990.1 Ų90.158%0.58349%0.489SS*.Hα-helixtrans-55.3-36175.2-64.5-26.6000111.2S492 A500S492-D496 VanDerWaalsContact O-CG 3.32Å; S492-D496 PolarHBondContact O-N 3.15Å; D496-A500 WeakPolarHBondContact O-CB 3.35Å; D496-A500 PolarHBondContact O-N 3.41Å; D496-A500 VanDerWaalsContact O-N 3.09Å
497S93.2Very high91.8Very high78 Ų7889.4 Ų89.455%0.54549%0.492SS..Hα-helixtrans-76.1-28.5176.3-171.20000114A493 L494 Q495 L501A493-S497 WeakPolarHBondContact O-CB 3.36Å; A493-S497 PolarHBondContact O-N 3.16Å; L494-S497 WeakPolarHBondContact O-CB 3.41Å; L494-S497 PolarHBondContact O-N 2.78Å; Q495-S497 PolarHBondContact O-N 3.08Å; S497-L501 PolarHBondContact O-N 3Å
498Y93.2Very high92Very high98 Ų9890.4 Ų90.438%0.38450%0.498SS..Hα-helixtrans-70.6-49.4173178.4-87.9000110L494 Q495 A500 L501 E502L494-Y498 PolarHBondContact O-N 3.31Å; Q495-Y498 WeakPolarHBondContact O-CB 3.46Å; Q495-Y498 PolarHBondContact O-N 2.94Å; Y498-A500 VanDerWaalsContact C-N 3.25Å; Y498-A500 PolarHBondContact O-N 3.23Å; Y498-L501 CarbonylContact O-C 3.6Å; Y498-L501 WeakPolarHBondContact O-CA 3.3Å; Y498-L501 WeakPolarHBondContact O-CB 3.26Å; Y498-L501 PolarHBondContact O-N 3.27Å; Y498-E502 HydrophobicContact CE1-CB 4.37Å; Y498-E502 PolarHBondContact O-N 3.09Å; Y498-E502 PolarHBondContact OH-OE2 2.76Å
499D93.5Very high92.1Very high80 Ų8090.3 Ų90.343%0.42849%0.491SS..Hα-helixtrans-61.4-36.7178.9-61.40.7000111Q495 L501 T503Q495-D499 PolarHBondContact NE2-OD1 2.96Å; Q495-D499 PolarHBondContact O-N 3.32Å; D499-L501 PolarHBondContact O-N 2.97Å; D499-T503 WeakPolarHBondContact O-CB 3.33Å; D499-T503 WeakPolarHBondContact O-CG2 3.4Å; D499-T503 PolarHBondContact O-N 3.03Å; D499-T503 VanDerWaalsContact O-N 3.11Å; D499-T503 PolarHBondContact O-OG1 2.94Å
500A93.1Very high92.2Very high41 Ų4189.9 Ų89.934%0.33949%0.487SS..Hα-helixtrans-75.1-3.517300000115.1D496 Y498 T503 K504D496-A500 WeakPolarHBondContact O-CB 3.35Å; D496-A500 PolarHBondContact O-N 3.41Å; D496-A500 VanDerWaalsContact O-N 3.09Å; Y498-A500 VanDerWaalsContact C-N 3.25Å; Y498-A500 PolarHBondContact O-N 3.23Å; A500-T503 WeakPolarHBondContact CA-OG1 3.41Å; A500-K504 WeakPolarHBondContact O-CD 3.43Å; A500-K504 VanDerWaalsContact O-CE 3.27Å; A500-K504 WeakPolarHBondContact O-CE 3.32Å; A500-K504 WeakPolarHBondContact O-CG 3.49Å; A500-K504 PolarHBondContact O-NZ 3.17Å
501L89.6Confident92.2Very high109 Ų10985.8 Ų85.857%0.57148%0.478SS*.Hα-helixtrans-103.2-43.7171-174.362.8000110.8S497 Y498 D499 T503 K504 H505S497-L501 PolarHBondContact O-N 3Å; Y498-L501 CarbonylContact O-C 3.6Å; Y498-L501 WeakPolarHBondContact O-CA 3.3Å; Y498-L501 WeakPolarHBondContact O-CB 3.26Å; Y498-L501 PolarHBondContact O-N 3.27Å; D499-L501 PolarHBondContact O-N 2.97Å; L501-T503 VanDerWaalsContact C-N 3.33Å; L501-T503 PolarHBondContact O-N 3.3Å; L501-K504 CarbonylContact O-C 3.54Å; L501-K504 WeakPolarHBondContact O-CA 3.48Å; L501-K504 WeakPolarHBondContact O-CB 3.45Å; L501-K504 PolarHBondContact O-N 3.27Å; L501-H505 PolarHBondContact O-N 3.05Å
502E92.3Very high92.4Very high85 Ų8591 Ų9140%0.39749%0.486SS..Hα-helixtrans-56.2-46174-173.260.7-100.500111.6Y498 K504 H505 S506Y498-E502 HydrophobicContact CE1-CB 4.37Å; Y498-E502 PolarHBondContact O-N 3.09Å; Y498-E502 PolarHBondContact OH-OE2 2.76Å; E502-K504 VanDerWaalsContact C-N 3.25Å; E502-K504 PolarHBondContact O-N 2.9Å; E502-H505 PolarHBondContact O-N 3.48Å; E502-H505 VanDerWaalsContact O-N 3.14Å; E502-H505 IonicContact OE1-ND1 2.83Å; E502-S506 PolarHBondContact O-N 2.82Å
503T93.5Very high92.5Very high96 Ų9693.1 Ų93.159%0.58949%0.489SS*.Hα-helixtrans-60.1-32.3174.246.20000113.4D499 A500 L501 S507D499-T503 WeakPolarHBondContact O-CB 3.33Å; D499-T503 WeakPolarHBondContact O-CG2 3.4Å; D499-T503 PolarHBondContact O-N 3.03Å; D499-T503 VanDerWaalsContact O-N 3.11Å; D499-T503 PolarHBondContact O-OG1 2.94Å; A500-T503 WeakPolarHBondContact CA-OG1 3.41Å; L501-T503 VanDerWaalsContact C-N 3.33Å; L501-T503 PolarHBondContact O-N 3.3Å; T503-S507 PolarHBondContact O-N 3.37Å
504K94.2Very high92.6Very high129 Ų12993 Ų9356%0.56149%0.485SS*.Hα-helixtrans-74.8-42.5173.3-67.3174.2-172.8127.60111.5A500 L501 E502 S507 L508A500-K504 WeakPolarHBondContact O-CD 3.43Å; A500-K504 VanDerWaalsContact O-CE 3.27Å; A500-K504 WeakPolarHBondContact O-CE 3.32Å; A500-K504 WeakPolarHBondContact O-CG 3.49Å; A500-K504 PolarHBondContact O-NZ 3.17Å; L501-K504 CarbonylContact O-C 3.54Å; L501-K504 WeakPolarHBondContact O-CA 3.48Å; L501-K504 WeakPolarHBondContact O-CB 3.45Å; L501-K504 PolarHBondContact O-N 3.27Å; E502-K504 VanDerWaalsContact C-N 3.25Å; E502-K504 PolarHBondContact O-N 2.9Å; K504-S507 WeakPolarHBondContact O-CB 3.46Å; K504-S507 PolarHBondContact O-N 2.91Å; K504-S507 VanDerWaalsContact O-N 3.08Å; K504-S507 PolarHBondContact O-OG 3.47Å; K504-L508 PolarHBondContact O-N 3.37Å
505H92.5Very high92.6Very high112 Ų11292.8 Ų92.852%0.51949%0.487SS..Hα-helixtrans-56.9-51.6176.4-180-110000110.8L501 E502 S507 L508 E509L501-H505 PolarHBondContact O-N 3.05Å; E502-H505 PolarHBondContact O-N 3.48Å; E502-H505 VanDerWaalsContact O-N 3.14Å; E502-H505 IonicContact OE1-ND1 2.83Å; H505-S507 PolarHBondContact O-N 3.18Å; H505-L508 PolarHBondContact O-N 3.06Å; H505-E509 WeakPolarHBondContact O-CB 3.38Å; H505-E509 PolarHBondContact O-N 3.39Å
506S92Very high92.5Very high36 Ų3690.9 Ų90.925%0.25248%0.484SS..Hα-helixtrans-60.5-28.8175.1-168.40000113.6E502 K510E502-S506 PolarHBondContact O-N 2.82Å; S506-K510 VanDerWaalsContact O-CD 3.27Å; S506-K510 WeakPolarHBondContact O-CD 3.24Å; S506-K510 VanDerWaalsContact O-CG 3.28Å; S506-K510 WeakPolarHBondContact O-CG 3.49Å; S506-K510 PolarHBondContact O-N 2.9Å; S506-K510 PolarHBondContact OG-NZ 2.94Å
507S92.9Very high92.4Very high73 Ų7388.6 Ų88.651%0.5148%0.476SS..Hα-helixtrans-73.8-37.7174.279.80000112.8T503 K504 H505 A511T503-S507 PolarHBondContact O-N 3.37Å; K504-S507 WeakPolarHBondContact O-CB 3.46Å; K504-S507 PolarHBondContact O-N 2.91Å; K504-S507 VanDerWaalsContact O-N 3.08Å; K504-S507 PolarHBondContact O-OG 3.47Å; H505-S507 PolarHBondContact O-N 3.18Å; S507-A511 PolarHBondContact O-N 2.84Å
508L91.9Very high92.2Very high121 Ų12190.2 Ų90.263%0.63448%0.475SS*.Hα-helixtrans-73.4-38.4178.3-175.964000111.3K504 H505 K510 A511 Y512K504-L508 PolarHBondContact O-N 3.37Å; H505-L508 PolarHBondContact O-N 3.06Å; L508-K510 PolarHBondContact O-N 3.12Å; L508-A511 WeakPolarHBondContact O-CB 3.27Å; L508-A511 PolarHBondContact O-N 3.35Å; L508-Y512 PolarHBondContact O-N 3.09Å
509E93.4Very high91.5Very high88 Ų8891.4 Ų91.441%0.41149%0.487SS..Hα-helixtrans-59-46.8174.3-166.9-162.7169.800111H505 A511 Y512 Q513H505-E509 WeakPolarHBondContact O-CB 3.38Å; H505-E509 PolarHBondContact O-N 3.39Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 2.96Å; E509-Y512 WeakPolarHBondContact O-CB 3.36Å; E509-Y512 PolarHBondContact O-N 3.5Å; E509-Q513 WeakPolarHBondContact O-CG 3.13Å; E509-Q513 PolarHBondContact O-N 3.24Å; E509-Q513 PolarHBondContact OE1-NE2 3.14Å
510K94.7Very high90.9Very high129 Ų12990.6 Ų90.656%0.56149%0.486SS*.Hα-helixtrans-61.4-39.3175.5-72.6164.6-175.3138.30112.2S506 L508 S514S506-K510 VanDerWaalsContact O-CD 3.27Å; S506-K510 WeakPolarHBondContact O-CD 3.24Å; S506-K510 VanDerWaalsContact O-CG 3.28Å; S506-K510 WeakPolarHBondContact O-CG 3.49Å; S506-K510 PolarHBondContact O-N 2.9Å; S506-K510 PolarHBondContact OG-NZ 2.94Å; L508-K510 PolarHBondContact O-N 3.12Å; K510-S514 PolarHBondContact O-N 3.46Å
511A93.8Very high90.3Very high50 Ų5091.9 Ų91.941%0.41349%0.492SS..Hα-helixtrans-64.9-42.317400000112S507 L508 E509 S514 V515S507-A511 PolarHBondContact O-N 2.84Å; L508-A511 WeakPolarHBondContact O-CB 3.27Å; L508-A511 PolarHBondContact O-N 3.35Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 2.96Å; A511-S514 WeakPolarHBondContact O-CB 3.46Å; A511-S514 PolarHBondContact O-N 3.38Å; A511-V515 WeakPolarHBondContact O-CG2 3.42Å; A511-V515 PolarHBondContact O-N 2.98Å
512Y91.5Very high89.5Confident171 Ų17191.2 Ų91.267%0.67149%0.488SS*.Hα-helixtrans-63.1-44.7175.6178.4-95.1000112.2L508 E509 S514 V515 S516L508-Y512 PolarHBondContact O-N 3.09Å; E509-Y512 WeakPolarHBondContact O-CB 3.36Å; E509-Y512 PolarHBondContact O-N 3.5Å; Y512-S514 VanDerWaalsContact C-N 3.33Å; Y512-S514 PolarHBondContact O-N 3.08Å; Y512-V515 PolarHBondContact O-N 3.44Å; Y512-S516 VanDerWaalsContact O-CB 3.29Å; Y512-S516 WeakPolarHBondContact O-CB 3.31Å; Y512-S516 PolarHBondContact O-N 2.91Å
513Q92.3Very high88.6Confident107 Ų10792.3 Ų92.350%0.549%0.492SS..Hα-helixtrans-60.2-41.2174.8-69.6178.216.700111.6E509 S516 S517E509-Q513 WeakPolarHBondContact O-CG 3.13Å; E509-Q513 PolarHBondContact O-N 3.24Å; E509-Q513 PolarHBondContact OE1-NE2 3.14Å; Q513-S516 PolarHBondContact O-N 3.5Å; Q513-S517 PolarHBondContact O-N 2.95Å
514S93.4Very high87.3Confident56 Ų5690.2 Ų90.239%0.39249%0.489SS..Hα-helixtrans-59.1-54.9173.6-164.90000111.6K510 A511 Y512 S516 S517 E518K510-S514 PolarHBondContact O-N 3.46Å; A511-S514 WeakPolarHBondContact O-CB 3.46Å; A511-S514 PolarHBondContact O-N 3.38Å; Y512-S514 VanDerWaalsContact C-N 3.33Å; Y512-S514 PolarHBondContact O-N 3.08Å; S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 PolarHBondContact O-N 3.4Å; S514-S517 WeakPolarHBondContact O-CB 3.3Å; S514-S517 PolarHBondContact O-N 2.87Å; S514-S517 PolarHBondContact O-OG 3.12Å; S514-E518 PolarHBondContact O-N 3.05Å; S514-E518 PolarHBondContact OG-OE1 3.16Å
515V90.4Very high86Confident90 Ų9093 Ų9355%0.54550%0.496SS..Hα-helixtrans-61.5-36.6-179.2173.20000111.9A511 Y512 E518 L519A511-V515 WeakPolarHBondContact O-CG2 3.42Å; A511-V515 PolarHBondContact O-N 2.98Å; Y512-V515 PolarHBondContact O-N 3.44Å; V515-E518 PolarHBondContact O-N 3.02Å; V515-L519 WeakPolarHBondContact O-CB 3.35Å; V515-L519 PolarHBondContact O-N 3.39Å
516S90Very high84.4Confident50 Ų5093.8 Ų93.835%0.3550%0.503SS..Hα-helixtrans-64.4-39.6174.3-172.30000112.2Y512 Q513 S514 T520Y512-S516 VanDerWaalsContact O-CB 3.29Å; Y512-S516 WeakPolarHBondContact O-CB 3.31Å; Y512-S516 PolarHBondContact O-N 2.91Å; Q513-S516 PolarHBondContact O-N 3.5Å; S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 PolarHBondContact O-N 3.4Å; S516-T520 WeakPolarHBondContact O-CB 3.19Å; S516-T520 PolarHBondContact O-N 2.69Å; S516-T520 PolarHBondContact O-OG1 3.12Å
517S88.5Confident82.6Confident61 Ų6196.7 Ų96.743%0.42752%0.523SS..Hα-helixtrans-68.3-37174.880.90000112.8Q513 S514 S521Q513-S517 PolarHBondContact O-N 2.95Å; S514-S517 WeakPolarHBondContact O-CB 3.3Å; S514-S517 PolarHBondContact O-N 2.87Å; S514-S517 PolarHBondContact O-OG 3.12Å; S517-S521 WeakPolarHBondContact O-CB 3.35Å; S517-S521 PolarHBondContact O-N 3.48Å; S517-S521 PolarHBondContact O-OG 3.02Å
518E89.1Confident80Confident113 Ų113100.8 Ų100.853%0.52854%0.539SS..Hα-helixtrans-66.9-45.1174.2-73175.3-133.800111.6S514 V515 T520 S521 L522S514-E518 PolarHBondContact O-N 3.05Å; S514-E518 PolarHBondContact OG-OE1 3.16Å; V515-E518 PolarHBondContact O-N 3.02Å; E518-T520 VanDerWaalsContact C-N 3.34Å; E518-T520 PolarHBondContact O-N 2.95Å; E518-S521 CarbonylContact O-C 3.5Å; E518-S521 WeakPolarHBondContact O-CB 3.41Å; E518-S521 PolarHBondContact O-N 3.48Å; E518-L522 PolarHBondContact O-N 2.95Å
519L79.5Confident77.3Confident122 Ų122101.9 Ų101.964%0.63955%0.545SS*.Hα-helixtrans-61.8-41.8176.3-175.867000111.6V515 S521 L522 K523V515-L519 WeakPolarHBondContact O-CB 3.35Å; V515-L519 PolarHBondContact O-N 3.39Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-L522 PolarHBondContact O-N 3.03Å; L519-K523 WeakPolarHBondContact O-CB 3.27Å; L519-K523 PolarHBondContact O-N 3.44Å
520T80.5Confident74.5Confident64 Ų64103.4 Ų103.439%0.39356%0.564SS.*Hα-helixtrans-62.7-42.3174.7-57.70000111.1S516 E518 K523 G524S516-T520 WeakPolarHBondContact O-CB 3.19Å; S516-T520 PolarHBondContact O-N 2.69Å; S516-T520 PolarHBondContact O-OG1 3.12Å; E518-T520 VanDerWaalsContact C-N 3.34Å; E518-T520 PolarHBondContact O-N 2.95Å; T520-K523 PolarHBondContact O-N 3.04Å; T520-G524 PolarHBondContact O-N 3.35Å
521S79.5Confident71.6Confident67 Ų67103.2 Ų103.247%0.46958%0.577SS.*Hα-helixtrans-65.3-37.3175.5-59.20000112.8S517 E518 L519 R525S517-S521 WeakPolarHBondContact O-CB 3.35Å; S517-S521 PolarHBondContact O-N 3.48Å; S517-S521 PolarHBondContact O-OG 3.02Å; E518-S521 CarbonylContact O-C 3.5Å; E518-S521 WeakPolarHBondContact O-CB 3.41Å; E518-S521 PolarHBondContact O-N 3.48Å; L519-S521 VanDerWaalsContact C-N 3.34Å; S521-R525 WeakPolarHBondContact O-CG 3.42Å; S521-R525 PolarHBondContact O-N 3Å
522L73.5Confident68.7Low95 Ų95111.3 Ų111.350%0.49760%0.603SS.*Hα-helixtrans-68.5-43.6174.6-120.874.5000111.7E518 L519 G524 R525 I526E518-L522 PolarHBondContact O-N 2.95Å; L519-L522 PolarHBondContact O-N 3.03Å; L522-G524 VanDerWaalsContact C-N 3.29Å; L522-G524 PolarHBondContact O-N 2.98Å; L522-R525 PolarHBondContact O-N 2.92Å; L522-R525 VanDerWaalsContact O-N 3.09Å; L522-I526 WeakPolarHBondContact O-CG1 3.35Å; L522-I526 PolarHBondContact O-N 3.46Å
523K73.4Confident65.7Low109 Ų109106.7 Ų106.747%0.47461%0.607SS.*Hα-helixtrans-56.8-44.5175.2-173.8176175.8-1780110.8L519 T520 R525 I526 S527 N1141L519-K523 WeakPolarHBondContact O-CB 3.27Å; L519-K523 PolarHBondContact O-N 3.44Å; T520-K523 PolarHBondContact O-N 3.04Å; K523-R525 PolarHBondContact O-N 2.62Å; K523-I526 PolarHBondContact O-N 3.37Å; K523-S527 PolarHBondContact O-N 2.98Å; K523-S527 PolarHBondContact O-OG 3.33Å; K523-N1141 PolarHBondContact NZ-OD1 2.93Å
524G67.5Low62.9Low51 Ų51107.3 Ų107.353%0.52662%0.624SS.*Hα-helixtrans-60.9-37.1174.300000114.3T520 L522T520-G524 PolarHBondContact O-N 3.35Å; L522-G524 VanDerWaalsContact C-N 3.29Å; L522-G524 PolarHBondContact O-N 2.98Å
525R65Low60Low188 Ų188112.1 Ų112.171%0.70964%0.644SS**Hα-helixtrans-73.6-38.2177.1-71.5176.3-176.3173.13.5113.2S521 L522 K523 S527 L528S521-R525 WeakPolarHBondContact O-CG 3.42Å; S521-R525 PolarHBondContact O-N 3Å; L522-R525 PolarHBondContact O-N 2.92Å; L522-R525 VanDerWaalsContact O-N 3.09Å; K523-R525 PolarHBondContact O-N 2.62Å; R525-S527 PolarHBondContact O-N 3.25Å; R525-L528 PolarHBondContact O-N 2.93Å
526I59.8Low57.3Low129 Ų129114.2 Ų114.266%0.66265%0.652SS**Hα-helixtrans-66.7-25.8179.4-68.2164.6000111.4L522 K523 L528L522-I526 WeakPolarHBondContact O-CG1 3.35Å; L522-I526 PolarHBondContact O-N 3.46Å; K523-I526 PolarHBondContact O-N 3.37Å; I526-L528 VanDerWaalsContact C-N 3.31Å; I526-L528 PolarHBondContact O-N 3.16Å
527S53.5Low55.1Low97 Ų97121.2 Ų121.268%0.67868%0.676SS**THydrogen-bonded Turntrans-75.8-3.5179-65.60000116.1K523 R525K523-S527 PolarHBondContact O-N 2.98Å; K523-S527 PolarHBondContact O-OG 3.33Å; R525-S527 PolarHBondContact O-N 3.25Å
528L39.6Very low52.7Low159 Ų159127.2 Ų127.283%0.83270%0.698SS**THydrogen-bonded Turntrans-120.8-10.9-173.2-146.977.6000116.2R525 I526R525-L528 PolarHBondContact O-N 2.93Å; I526-L528 VanDerWaalsContact C-N 3.31Å; I526-L528 PolarHBondContact O-N 3.16Å
529D34.2Very low50.7Low144 Ų144123.3 Ų123.377%0.7768%0.681SS**SBendtrans-129.3149.9-173.8-112.7-46.8000113.9
530C34.2Very low49.2Very low120 Ų120123.3 Ų123.381%0.81168%0.681SS**SBendtrans66.760.5176.2-156.60000117.9
531C33.6Very low48Very low124 Ų124126.8 Ų126.884%0.83870%0.696SS**  trans-166.587145.5-106.80000114.3
532K32.8Very low46.9Very low221 Ų221126.2 Ų126.296%0.96169%0.692SS**  trans175.893.8149.2-96.7147.2-166.6169.60111.1
533G30.2Very low46.2Very low73 Ų73123.9 Ų123.975%0.75368%0.68SS**  trans-157136.2171.200000110.7
534S32.8Very low45.9Very low121 Ų121124.4 Ų124.485%0.84668%0.684SS**  trans65.272.1177.6-170.50000117.6
535L33Very low46Very low156 Ų156127.9 Ų127.982%0.81769%0.689SS**  trans-142.2135.5135.3-109.9164.9000107.4
536N32.6Very low46.4Very low135 Ų135123.1 Ų123.172%0.72267%0.674SS**  trans-161.7140.6-168.6-110.4-30.8000111.2D539N536-D539 WeakPolarHBondContact CA-OD2 3.43Å
537K43.4Very low47.1Very low196 Ų196123.2 Ų123.285%0.85267%0.666SS**SBendtrans8621.1172.8-53178.4-179.2178.60118.3D539K537-D539 PolarHBondContact N-OD2 3.49Å
538Q38.5Very low48.1Very low188 Ų188122.1 Ų122.188%0.87966%0.655SS**SBendtrans-116.819.7143.9-161.8158.9-8.800111.3
539D46.9Very low50Low31 Ų31118 Ų11817%0.16664%0.64CS.*  trans-107-27-155.4-55.5-84000113.8N536 K537 I541 S542 D543N536-D539 WeakPolarHBondContact CA-OD2 3.43Å; K537-D539 PolarHBondContact N-OD2 3.49Å; D539-I541 VanDerWaalsContact C-N 3.31Å; D539-I541 PolarHBondContact O-N 3.26Å; D539-S542 CarbonylContact O-C 3.59Å; D539-S542 WeakPolarHBondContact O-CA 3.46Å; D539-S542 WeakPolarHBondContact O-CB 3.42Å; D539-S542 PolarHBondContact O-N 2.97Å; D539-D543 VanDerWaalsContact O-CB 3.29Å; D539-D543 WeakPolarHBondContact O-CB 3.47Å; D539-D543 PolarHBondContact O-N 3.45Å
540D48.2Very low52.1Low121 Ų121116 Ų11665%0.64763%0.628SS**Hα-helixtrans-53.9-39.5-168.1-80.2-58.3000115.6H544 R547D540-H544 WeakPolarHBondContact O-CB 3.45Å; D540-H544 PolarHBondContact O-N 3.15Å; D540-R547 PolarHBondContact O-NH2 2.99Å
541I55.7Low54Low138 Ų138112.5 Ų112.571%0.70861%0.607SS**Hα-helixtrans-77.9-41.9175.3-60175.3000111.1D539 D543 H544 L545D539-I541 VanDerWaalsContact C-N 3.31Å; D539-I541 PolarHBondContact O-N 3.26Å; I541-D543 VanDerWaalsContact C-N 3.33Å; I541-D543 PolarHBondContact O-N 3.03Å; I541-H544 PolarHBondContact O-N 2.88Å; I541-L545 PolarHBondContact O-N 3.23Å
542S57.2Low56.1Low54 Ų54110.5 Ų110.538%0.37859%0.591SS.*Hα-helixtrans-61.3-43.9177.3-167.90000110.9D539 L545 K546D539-S542 CarbonylContact O-C 3.59Å; D539-S542 WeakPolarHBondContact O-CA 3.46Å; D539-S542 WeakPolarHBondContact O-CB 3.42Å; D539-S542 PolarHBondContact O-N 2.97Å; S542-L545 CarbonylContact O-C 3.59Å; S542-L545 PolarHBondContact O-N 2.96Å; S542-K546 VanDerWaalsContact O-CG 3.26Å; S542-K546 WeakPolarHBondContact O-CG 3.35Å; S542-K546 PolarHBondContact O-N 3.36Å; S542-K546 WeakPolarHBondContact OG-CE 3.12Å; S542-K546 PolarHBondContact OG-NZ 3.24Å
543D58.5Low58.1Low46 Ų46105.7 Ų105.725%0.24657%0.572CS.*Hα-helixtrans-75.5-27.3176.7-76.75.5000112.2D539 I541 K546 R547D539-D543 VanDerWaalsContact O-CB 3.29Å; D539-D543 WeakPolarHBondContact O-CB 3.47Å; D539-D543 PolarHBondContact O-N 3.45Å; I541-D543 VanDerWaalsContact C-N 3.33Å; I541-D543 PolarHBondContact O-N 3.03Å; D543-K546 WeakPolarHBondContact OD1-CD 3.31Å; D543-K546 WeakPolarHBondContact OD1-CE 3.25Å; D543-K546 IonicContact OD1-NZ 2.82Å; D543-K546 PolarHBondContact OD1-NZ 3.34Å; D543-R547 VanDerWaalsContact C-NE 3.34Å; D543-R547 WeakPolarHBondContact O-CA 3.36Å; D543-R547 WeakPolarHBondContact O-CB 3.48Å; D543-R547 WeakPolarHBondContact O-CG 3.48Å; D543-R547 PolarHBondContact O-N 3.11Å; D543-R547 PolarHBondContact O-NE 3.3Å
544H66.5Low60.3Low121 Ų121106 Ų10656%0.5656%0.56SS**Hα-helixtrans-66.3-45168-169.459.9000110.4D540 I541 R547 V548D540-H544 WeakPolarHBondContact O-CB 3.45Å; D540-H544 PolarHBondContact O-N 3.15Å; I541-H544 PolarHBondContact O-N 2.88Å; H544-R547 PolarHBondContact O-N 2.81Å; H544-V548 WeakPolarHBondContact O-CG2 3.17Å; H544-V548 PolarHBondContact O-N 2.88Å
545L70.7Confident62.3Low123 Ų123105.1 Ų105.164%0.64455%0.546SS*.Hα-helixtrans-63.4-42.2172.5-94.2163.1000112.9I541 S542 S549I541-L545 PolarHBondContact O-N 3.23Å; S542-L545 CarbonylContact O-C 3.59Å; S542-L545 PolarHBondContact O-N 2.96Å; L545-S549 WeakPolarHBondContact O-CB 3.24Å; L545-S549 PolarHBondContact O-N 3.43Å
546K72.1Confident64Low89 Ų89100.6 Ų100.639%0.38753%0.526SS..Hα-helixtrans-64-41.1172.3-66.8166.7-147.7154.50111.2S542 D543 S549 I550S542-K546 VanDerWaalsContact O-CG 3.26Å; S542-K546 WeakPolarHBondContact O-CG 3.35Å; S542-K546 PolarHBondContact O-N 3.36Å; S542-K546 WeakPolarHBondContact OG-CE 3.12Å; S542-K546 PolarHBondContact OG-NZ 3.24Å; D543-K546 WeakPolarHBondContact OD1-CD 3.31Å; D543-K546 WeakPolarHBondContact OD1-CE 3.25Å; D543-K546 IonicContact OD1-NZ 2.82Å; D543-K546 PolarHBondContact OD1-NZ 3.34Å; K546-S549 PolarHBondContact O-N 2.87Å; K546-I550 HydrophobicContact CB-CD1 4.31Å; K546-I550 WeakPolarHBondContact O-CA 3.33Å; K546-I550 WeakPolarHBondContact O-CB 3.46Å; K546-I550 WeakPolarHBondContact O-CD1 3.26Å; K546-I550 WeakPolarHBondContact O-CG1 3.48Å; K546-I550 PolarHBondContact O-N 3.42Å
547R74.8Confident65.9Low131 Ų13197.2 Ų97.249%0.49451%0.51SS..Hα-helixtrans-66.5-39.2179.1-78.3170.7-71.7-143.44111.7D540 D543 H544 A551D540-R547 PolarHBondContact O-NH2 2.99Å; D543-R547 VanDerWaalsContact C-NE 3.34Å; D543-R547 WeakPolarHBondContact O-CA 3.36Å; D543-R547 WeakPolarHBondContact O-CB 3.48Å; D543-R547 WeakPolarHBondContact O-CG 3.48Å; D543-R547 PolarHBondContact O-N 3.11Å; D543-R547 PolarHBondContact O-NE 3.3Å; H544-R547 PolarHBondContact O-N 2.81Å; R547-A551 VanDerWaalsContact O-CB 3.24Å; R547-A551 WeakPolarHBondContact O-CB 3.28Å; R547-A551 PolarHBondContact O-N 3.13Å
548V75.7Confident67.1Low73 Ų7394.4 Ų94.444%0.44250%0.498SS..Hα-helixtrans-69.6-43.8173173.40000111.2H544 A551 V552H544-V548 WeakPolarHBondContact O-CG2 3.17Å; H544-V548 PolarHBondContact O-N 2.88Å; V548-A551 PolarHBondContact O-N 3.37Å; V548-V552 WeakPolarHBondContact O-CG2 3.5Å; V548-V552 PolarHBondContact O-N 2.87Å
549S77.7Confident68.4Low73 Ų7391 Ų9151%0.5149%0.485SS..Hα-helixtrans-63.1-41.7176.2-1740000112L545 K546 Q553L545-S549 WeakPolarHBondContact O-CB 3.24Å; L545-S549 PolarHBondContact O-N 3.43Å; K546-S549 PolarHBondContact O-N 2.87Å; S549-Q553 WeakPolarHBondContact O-CB 3.5Å; S549-Q553 PolarHBondContact O-N 2.88Å
550I78.4Confident69.3Low101 Ų10193.7 Ų93.752%0.51850%0.499SS..Hα-helixtrans-66.4-43.8173.9-71.2163.6000110.2K546 Q553 T554K546-I550 HydrophobicContact CB-CD1 4.31Å; K546-I550 WeakPolarHBondContact O-CA 3.33Å; K546-I550 WeakPolarHBondContact O-CB 3.46Å; K546-I550 WeakPolarHBondContact O-CD1 3.26Å; K546-I550 WeakPolarHBondContact O-CG1 3.48Å; K546-I550 PolarHBondContact O-N 3.42Å; I550-Q553 CarbonylContact O-C 3.59Å; I550-Q553 PolarHBondContact O-N 2.8Å; I550-T554 VanDerWaalsContact O-CB 3.3Å; I550-T554 WeakPolarHBondContact O-CB 3.49Å; I550-T554 PolarHBondContact O-N 2.98Å; I550-T554 PolarHBondContact O-OG1 3.15Å
551A75.8Confident69.9Low47 Ų4792.2 Ų92.239%0.38849%0.491SS..Hα-helixtrans-59.3-49.1176.300000111.4R547 V548 Q553 T554 D555R547-A551 VanDerWaalsContact O-CB 3.24Å; R547-A551 WeakPolarHBondContact O-CB 3.28Å; R547-A551 PolarHBondContact O-N 3.13Å; V548-A551 PolarHBondContact O-N 3.37Å; A551-Q553 VanDerWaalsContact C-N 3.35Å; A551-Q553 PolarHBondContact O-N 3.44Å; A551-T554 PolarHBondContact O-N 3.45Å; A551-D555 WeakPolarHBondContact O-CB 3.5Å; A551-D555 VanDerWaalsContact O-CG 3.29Å; A551-D555 PolarHBondContact O-N 3.19Å
552V77.1Confident70.3Confident83 Ų8388.6 Ų88.650%0.50348%0.478SS..Hα-helixtrans-62-41.1175.2173.30000111.4V548 T554 D555 C556V548-V552 WeakPolarHBondContact O-CG2 3.5Å; V548-V552 PolarHBondContact O-N 2.87Å; V552-T554 VanDerWaalsContact C-N 3.35Å; V552-T554 PolarHBondContact O-N 3.42Å; V552-D555 PolarHBondContact O-N 2.83Å; V552-C556 VanDerWaalsContact O-CB 3.28Å; V552-C556 WeakPolarHBondContact O-CB 3.43Å; V552-C556 PolarHBondContact O-N 3.42Å; V552-C556 PolarHBondContact O-SG 3.46Å
553Q73.5Confident70.3Confident120 Ų12091.6 Ų91.656%0.56149%0.489SS*.Hα-helixtrans-64.3-38.7175.7-166.672.638.800111.7S549 I550 A551 V557S549-Q553 WeakPolarHBondContact O-CB 3.5Å; S549-Q553 PolarHBondContact O-N 2.88Å; I550-Q553 CarbonylContact O-C 3.59Å; I550-Q553 PolarHBondContact O-N 2.8Å; A551-Q553 VanDerWaalsContact C-N 3.35Å; A551-Q553 PolarHBondContact O-N 3.44Å; Q553-V557 VanDerWaalsContact O-CB 3.31Å; Q553-V557 WeakPolarHBondContact O-CB 3.5Å; Q553-V557 WeakPolarHBondContact O-CG2 3.44Å; Q553-V557 PolarHBondContact O-N 2.94Å
554T76.7Confident70.3Confident80 Ų8095.2 Ų95.249%0.49150%0.504SS..Hα-helixtrans-71.7-40.9177.7-63.40000111.4I550 A551 V552 V557 F558I550-T554 VanDerWaalsContact O-CB 3.3Å; I550-T554 WeakPolarHBondContact O-CB 3.49Å; I550-T554 PolarHBondContact O-N 2.98Å; I550-T554 PolarHBondContact O-OG1 3.15Å; A551-T554 PolarHBondContact O-N 3.45Å; V552-T554 VanDerWaalsContact C-N 3.35Å; V552-T554 PolarHBondContact O-N 3.42Å; T554-V557 PolarHBondContact O-N 3.13Å; T554-F558 WeakPolarHBondContact O-CB 3.48Å; T554-F558 PolarHBondContact O-N 2.86Å
555D74.3Confident70.2Confident102 Ų10294.4 Ų94.455%0.54550%0.504SS..Hα-helixtrans-65.5-40.7174.6-69.3-21.6000110.8A551 V552 L559A551-D555 WeakPolarHBondContact O-CB 3.5Å; A551-D555 VanDerWaalsContact O-CG 3.29Å; A551-D555 PolarHBondContact O-N 3.19Å; V552-D555 PolarHBondContact O-N 2.83Å; D555-L559 WeakPolarHBondContact O-CB 3.35Å; D555-L559 WeakPolarHBondContact O-CG 3.47Å; D555-L559 PolarHBondContact O-N 3.38Å
556C70.7Confident70Confident61 Ų6192.4 Ų92.441%0.41250%0.499SS..Hα-helixtrans-64.4-46.3172.3-74.40000112.2V552 L559 I560V552-C556 VanDerWaalsContact O-CB 3.28Å; V552-C556 WeakPolarHBondContact O-CB 3.43Å; V552-C556 PolarHBondContact O-N 3.42Å; V552-C556 PolarHBondContact O-SG 3.46Å; C556-L559 PolarHBondContact O-N 2.76Å; C556-I560 WeakPolarHBondContact O-CB 3.35Å; C556-I560 WeakPolarHBondContact O-CD1 3.44Å; C556-I560 WeakPolarHBondContact O-CG1 3.3Å; C556-I560 PolarHBondContact O-N 3.3Å
557V70.6Confident69.5Low63 Ų6393.3 Ų93.338%0.38251%0.507SS..Hα-helixtrans-62.7-41.7176.3165.20000110.9Q553 T554 L559 I560 D561Q553-V557 VanDerWaalsContact O-CB 3.31Å; Q553-V557 WeakPolarHBondContact O-CB 3.5Å; Q553-V557 WeakPolarHBondContact O-CG2 3.44Å; Q553-V557 PolarHBondContact O-N 2.94Å; T554-V557 PolarHBondContact O-N 3.13Å; V557-L559 PolarHBondContact O-N 2.98Å; V557-I560 PolarHBondContact O-N 3.3Å; V557-D561 WeakPolarHBondContact O-CB 3.44Å; V557-D561 PolarHBondContact O-N 3.05Å
558F69.6Low69.4Low138 Ų13889.3 Ų89.361%0.60550%0.5SS*.Hα-helixtrans-66.7-36.7178.2-173.5-98.1000112.5T554 S562T554-F558 WeakPolarHBondContact O-CB 3.48Å; T554-F558 PolarHBondContact O-N 2.86Å; F558-S562 WeakPolarHBondContact O-CB 3.42Å; F558-S562 PolarHBondContact O-N 2.9Å; F558-S562 PolarHBondContact O-OG 3.4Å
559L66.2Low69.5Low115 Ų11589.4 Ų89.460%0.60250%0.5SS*.Hα-helixtrans-69.5-35.5172-82.4164.7000112.7D555 C556 V557 L563D555-L559 WeakPolarHBondContact O-CB 3.35Å; D555-L559 WeakPolarHBondContact O-CG 3.47Å; D555-L559 PolarHBondContact O-N 3.38Å; C556-L559 PolarHBondContact O-N 2.76Å; V557-L559 PolarHBondContact O-N 2.98Å; L559-L563 PolarHBondContact O-N 3.36Å
560I65.4Low69.5Low88 Ų8888.7 Ų88.745%0.45150%0.495SS..Hα-helixtrans-68.2-54.8174.8-72165.3000109.7C556 V557 S562 L563 E564C556-I560 WeakPolarHBondContact O-CB 3.35Å; C556-I560 WeakPolarHBondContact O-CD1 3.44Å; C556-I560 WeakPolarHBondContact O-CG1 3.3Å; C556-I560 PolarHBondContact O-N 3.3Å; V557-I560 PolarHBondContact O-N 3.3Å; I560-S562 PolarHBondContact O-N 3.41Å; I560-L563 PolarHBondContact O-N 2.87Å; I560-E564 HydrophobicContact CG2-CG 3.96Å; I560-E564 WeakPolarHBondContact CG2-OE2 3.48Å; I560-E564 WeakPolarHBondContact O-CB 3.21Å; I560-E564 PolarHBondContact O-N 2.92Å
561D60.9Low69.5Low91 Ų9188.7 Ų88.749%0.48750%0.495SS..Hα-helixtrans-53.1-41.5174.7-81.2-26.1000111.9V557 L563 N565V557-D561 WeakPolarHBondContact O-CB 3.44Å; V557-D561 PolarHBondContact O-N 3.05Å; D561-L563 VanDerWaalsContact C-N 3.26Å; D561-L563 PolarHBondContact O-N 3.32Å; D561-N565 WeakPolarHBondContact O-CB 3.41Å; D561-N565 PolarHBondContact O-N 2.97Å
562S64Low69.7Low61 Ų6190.4 Ų90.443%0.42750%0.498SS..Hα-helixtrans-67.5-20.3-179.7-64.90000114.3F558 I560F558-S562 WeakPolarHBondContact O-CB 3.42Å; F558-S562 PolarHBondContact O-N 2.9Å; F558-S562 PolarHBondContact O-OG 3.4Å; I560-S562 PolarHBondContact O-N 3.41Å
563L58Low70.1Confident117 Ų11791.6 Ų91.661%0.61350%0.498SS*.Hα-helixtrans-102.5-41.5173.3-94.178.8000112.5L559 I560 D561 P566 L567L559-L563 PolarHBondContact O-N 3.36Å; I560-L563 PolarHBondContact O-N 2.87Å; D561-L563 VanDerWaalsContact C-N 3.26Å; D561-L563 PolarHBondContact O-N 3.32Å; L563-P566 WeakPolarHBondContact O-CD 3.48Å; L563-P566 WeakPolarHBondContact O-CG 3.42Å; L563-L567 PolarHBondContact O-N 3.5Å
564E57.4Low70.6Confident122 Ų12289.8 Ų89.857%0.5749%0.492SS*.Hα-helixtrans-69.1-36.5-177.6-72.6-159.2125.700112.2I560 L567 S568I560-E564 HydrophobicContact CG2-CG 3.96Å; I560-E564 WeakPolarHBondContact CG2-OE2 3.48Å; I560-E564 WeakPolarHBondContact O-CB 3.21Å; I560-E564 PolarHBondContact O-N 2.92Å; E564-L567 PolarHBondContact O-N 3.5Å; E564-S568 WeakPolarHBondContact O-CA 3.47Å; E564-S568 WeakPolarHBondContact O-CB 3.22Å; E564-S568 PolarHBondContact O-N 2.99Å; E564-S568 PolarHBondContact O-OG 3.14Å
565N64.3Low71.2Confident104 Ų10493.2 Ų93.256%0.55650%0.496SS*.Hα-helixtrans-62.3-53.2-178.1-156.6-15.5000112.6D561 S568 V569D561-N565 WeakPolarHBondContact O-CB 3.41Å; D561-N565 PolarHBondContact O-N 2.97Å; N565-S568 PolarHBondContact O-OG 3.11Å; N565-V569 WeakPolarHBondContact O-CG2 3.48Å; N565-V569 PolarHBondContact O-N 3.47Å
566P65.9Low72Confident81 Ų8195.9 Ų95.953%0.52650%0.502SS..Hα-helixtrans-67.6-35.5176.526.6-34.5000114.1L563 S570L563-P566 WeakPolarHBondContact O-CD 3.48Å; L563-P566 WeakPolarHBondContact O-CG 3.42Å; P566-S570 PolarHBondContact O-N 2.97Å
567L63.4Low73.1Confident108 Ų10897.7 Ų97.757%0.56550%0.504SS*.Hα-helixtrans-72.5-44.3177.6-100.776.9000112.5L563 E564 V569 S570 I571L563-L567 PolarHBondContact O-N 3.5Å; E564-L567 PolarHBondContact O-N 3.5Å; L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.34Å; L567-S570 PolarHBondContact O-N 3.48Å; L567-I571 HydrophobicContact CB-CD1 4.29Å; L567-I571 WeakPolarHBondContact O-CB 3.44Å; L567-I571 WeakPolarHBondContact O-CD1 3.47Å; L567-I571 VanDerWaalsContact O-CG1 3.22Å; L567-I571 WeakPolarHBondContact O-CG1 3.35Å; L567-I571 PolarHBondContact O-N 2.7Å
568S70.9Confident73.9Confident48 Ų4899.7 Ų99.734%0.33651%0.512SS..Hα-helixtrans-67.3-32.8-176.266.20000112.5E564 N565 N572E564-S568 WeakPolarHBondContact O-CA 3.47Å; E564-S568 WeakPolarHBondContact O-CB 3.22Å; E564-S568 PolarHBondContact O-N 2.99Å; E564-S568 PolarHBondContact O-OG 3.14Å; N565-S568 PolarHBondContact O-OG 3.11Å; S568-N572 VanDerWaalsContact O-CB 3.23Å; S568-N572 WeakPolarHBondContact O-CB 3.43Å; S568-N572 VanDerWaalsContact O-CG 3.26Å; S568-N572 PolarHBondContact O-N 2.7Å; S568-N572 PolarHBondContact O-ND2 3.26Å
569V77.7Confident74.8Confident74 Ų7497.7 Ų97.745%0.44851%0.507SS..Hα-helixtrans-62.4-53.3170.8172.90000110.2N565 L567 I571 N572 E573N565-V569 WeakPolarHBondContact O-CG2 3.48Å; N565-V569 PolarHBondContact O-N 3.47Å; L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.34Å; V569-I571 VanDerWaalsContact C-N 3.34Å; V569-I571 PolarHBondContact O-N 3.27Å; V569-N572 PolarHBondContact O-N 3.05Å; V569-E573 WeakPolarHBondContact O-CG 3.32Å; V569-E573 PolarHBondContact O-N 2.99Å
570S79.1Confident76.1Confident59 Ų5998.4 Ų98.441%0.41351%0.507SS..Hα-helixtrans-59.2-43.7178.5-165.70000112.1P566 L567 N572 E573 D574P566-S570 PolarHBondContact O-N 2.97Å; L567-S570 PolarHBondContact O-N 3.48Å; S570-N572 PolarHBondContact O-N 3.12Å; S570-E573 PolarHBondContact O-N 2.9Å; S570-D574 WeakPolarHBondContact O-CB 3.45Å; S570-D574 PolarHBondContact O-N 2.93Å
571I78.9Confident77.5Confident101 Ų10199.2 Ų99.252%0.51851%0.511SS..Hα-helixtrans-64.1-40.5178.5-70.9165.4000111L567 V569 R575L567-I571 HydrophobicContact CB-CD1 4.29Å; L567-I571 WeakPolarHBondContact O-CB 3.44Å; L567-I571 WeakPolarHBondContact O-CD1 3.47Å; L567-I571 VanDerWaalsContact O-CG1 3.22Å; L567-I571 WeakPolarHBondContact O-CG1 3.35Å; L567-I571 PolarHBondContact O-N 2.7Å; V569-I571 VanDerWaalsContact C-N 3.34Å; V569-I571 PolarHBondContact O-N 3.27Å; I571-R575 WeakPolarHBondContact O-CB 3.34Å; I571-R575 PolarHBondContact O-N 2.85Å
572N78.7Confident78.9Confident82 Ų8298.6 Ų98.644%0.43951%0.511SS..Hα-helixtrans-70.1-37.5176.9-78.9-44.7000112.3S568 V569 S570 R575 K576S568-N572 VanDerWaalsContact O-CB 3.23Å; S568-N572 WeakPolarHBondContact O-CB 3.43Å; S568-N572 VanDerWaalsContact O-CG 3.26Å; S568-N572 PolarHBondContact O-N 2.7Å; S568-N572 PolarHBondContact O-ND2 3.26Å; V569-N572 PolarHBondContact O-N 3.05Å; S570-N572 PolarHBondContact O-N 3.12Å; N572-R575 PolarHBondContact O-N 3.05Å; N572-K576 WeakPolarHBondContact O-CB 3.38Å; N572-K576 PolarHBondContact O-N 3.01Å
573E85.7Confident80.4Confident109 Ų10999.5 Ų99.551%0.50951%0.514SS..Hα-helixtrans-67.6-41.5174.8-71.5-171120.700112.1V569 S570 K576 K577V569-E573 WeakPolarHBondContact O-CG 3.32Å; V569-E573 PolarHBondContact O-N 2.99Å; S570-E573 PolarHBondContact O-N 2.9Å; E573-K576 WeakPolarHBondContact O-CB 3.45Å; E573-K576 PolarHBondContact O-N 3.13Å; E573-K577 VanDerWaalsContact O-CG 3.32Å; E573-K577 WeakPolarHBondContact O-CG 3.43Å; E573-K577 PolarHBondContact O-N 2.68Å
574D85.2Confident82.1Confident81 Ų8197.9 Ų97.943%0.43350%0.503SS..Hα-helixtrans-69.6-35175.2-69.4-28.6000112S570 K576 K577 L578S570-D574 WeakPolarHBondContact O-CB 3.45Å; S570-D574 PolarHBondContact O-N 2.93Å; D574-K576 VanDerWaalsContact C-N 3.3Å; D574-K576 PolarHBondContact O-N 3.29Å; D574-K577 PolarHBondContact O-N 3.26Å; D574-K577 IonicContact OD1-NZ 2.69Å; D574-K577 PolarHBondContact OD1-NZ 2.8Å; D574-L578 VanDerWaalsContact O-CB 3.31Å; D574-L578 WeakPolarHBondContact O-CB 3.48Å; D574-L578 PolarHBondContact O-N 3.28Å
575R87.6Confident83.6Confident153 Ų15397.4 Ų97.458%0.57750%0.504SS*.Hα-helixtrans-65.8-32.8170.5-159.4178.695.2-155.68.3112.1I571 N572 N579I571-R575 WeakPolarHBondContact O-CB 3.34Å; I571-R575 PolarHBondContact O-N 2.85Å; N572-R575 PolarHBondContact O-N 3.05Å; R575-N579 PolarHBondContact O-N 2.89Å; R575-N579 VanDerWaalsContact O-N 3.07Å
576K91Very high84.8Confident157 Ų15798.3 Ų98.368%0.68351%0.505SS*.Hα-helixtrans-67.9-48173.9-168.6-178.6179.6-172.60111.2N572 E573 D574 L578 N579 E580N572-K576 WeakPolarHBondContact O-CB 3.38Å; N572-K576 PolarHBondContact O-N 3.01Å; E573-K576 WeakPolarHBondContact O-CB 3.45Å; E573-K576 PolarHBondContact O-N 3.13Å; D574-K576 VanDerWaalsContact C-N 3.3Å; D574-K576 PolarHBondContact O-N 3.29Å; K576-L578 VanDerWaalsContact C-N 3.32Å; K576-L578 PolarHBondContact O-N 3.37Å; K576-N579 PolarHBondContact O-N 3Å; K576-E580 WeakPolarHBondContact O-CB 3.44Å; K576-E580 PolarHBondContact O-N 2.88Å
577K93.7Very high86Confident100 Ų10099 Ų9944%0.43550%0.499SS..Hα-helixtrans-58.9-41.6173.5-64.6164-152.5160.40111.7E573 D574 E580 I581E573-K577 VanDerWaalsContact O-CG 3.32Å; E573-K577 WeakPolarHBondContact O-CG 3.43Å; E573-K577 PolarHBondContact O-N 2.68Å; D574-K577 PolarHBondContact O-N 3.26Å; D574-K577 IonicContact OD1-NZ 2.69Å; D574-K577 PolarHBondContact OD1-NZ 2.8Å; K577-E580 PolarHBondContact O-N 3.45Å; K577-I581 WeakPolarHBondContact O-CB 3.5Å; K577-I581 VanDerWaalsContact O-CG1 3.29Å; K577-I581 WeakPolarHBondContact O-CG1 3.43Å; K577-I581 PolarHBondContact O-N 3.23Å
578L88.7Confident87.4Confident105 Ų10598.9 Ų98.955%0.5550%0.498SS..Hα-helixtrans-62.2-44.3177.6-177.165000111.8D574 K576 T582D574-L578 VanDerWaalsContact O-CB 3.31Å; D574-L578 WeakPolarHBondContact O-CB 3.48Å; D574-L578 PolarHBondContact O-N 3.28Å; K576-L578 VanDerWaalsContact C-N 3.32Å; K576-L578 PolarHBondContact O-N 3.37Å; L578-T582 WeakPolarHBondContact O-CB 3.43Å; L578-T582 PolarHBondContact O-N 2.96Å; L578-T582 PolarHBondContact O-OG1 3.44Å
579N88.9Confident88.4Confident96 Ų96102.2 Ų102.251%0.51351%0.507SS..Hα-helixtrans-63.3-42.7174.9-76.52.6000111.8R575 K576 T582 V583R575-N579 PolarHBondContact O-N 2.89Å; R575-N579 VanDerWaalsContact O-N 3.07Å; K576-N579 PolarHBondContact O-N 3Å; N579-T582 WeakPolarHBondContact O-CB 3.45Å; N579-T582 PolarHBondContact O-N 2.99Å; N579-V583 WeakPolarHBondContact O-CG2 3.36Å; N579-V583 PolarHBondContact O-N 2.84Å
580E93.4Very high89Confident130 Ų130100.2 Ų100.261%0.60749%0.493SS*.Hα-helixtrans-61.8-47.7178-172.9166.6-146.200112K576 K577 T582 V583 E584K576-E580 WeakPolarHBondContact O-CB 3.44Å; K576-E580 PolarHBondContact O-N 2.88Å; K577-E580 PolarHBondContact O-N 3.45Å; E580-T582 VanDerWaalsContact C-N 3.28Å; E580-T582 PolarHBondContact O-N 3.47Å; E580-V583 PolarHBondContact O-N 3.26Å; E580-E584 PolarHBondContact O-N 3.41Å
581I93.6Very high89.5Confident104 Ų104101.6 Ų101.653%0.53350%0.495SS..Hα-helixtrans-61.4-36.2173.3-68.3166000111.6K577 E584 L585K577-I581 WeakPolarHBondContact O-CB 3.5Å; K577-I581 VanDerWaalsContact O-CG1 3.29Å; K577-I581 WeakPolarHBondContact O-CG1 3.43Å; K577-I581 PolarHBondContact O-N 3.23Å; I581-E584 PolarHBondContact O-N 2.97Å; I581-L585 HydrophobicContact CG2-CD1 4.27Å; I581-L585 WeakPolarHBondContact O-CB 3.35Å; I581-L585 PolarHBondContact O-N 3.23Å
582T91.3Very high90Very high78 Ų78103.3 Ų103.348%0.47950%0.496SS..Hα-helixtrans-67.4-39.2177.6-57.80000111.7L578 N579 E580 H586L578-T582 WeakPolarHBondContact O-CB 3.43Å; L578-T582 PolarHBondContact O-N 2.96Å; L578-T582 PolarHBondContact O-OG1 3.44Å; N579-T582 WeakPolarHBondContact O-CB 3.45Å; N579-T582 PolarHBondContact O-N 2.99Å; E580-T582 VanDerWaalsContact C-N 3.28Å; E580-T582 PolarHBondContact O-N 3.47Å; T582-H586 PolarHBondContact O-N 3.29Å
583V94.5Very high90.6Very high81 Ų81102 Ų10249%0.49149%0.487SS..Hα-helixtrans-66.8-43.7175.11700000111.4N579 E580 H586 K587N579-V583 WeakPolarHBondContact O-CG2 3.36Å; N579-V583 PolarHBondContact O-N 2.84Å; E580-V583 PolarHBondContact O-N 3.26Å; V583-H586 WeakPolarHBondContact O-CB 3.45Å; V583-H586 PolarHBondContact O-N 3.48Å; V583-H586 VanDerWaalsContact O-N 3.16Å; V583-K587 PolarHBondContact O-N 3Å
584E94Very high90.8Very high83 Ų83100.4 Ų100.439%0.38848%0.481SS..Hα-helixtrans-67.8-36.9177-69.7-54.3131.300112.6E580 I581 H586 K587 I588E580-E584 PolarHBondContact O-N 3.41Å; I581-E584 PolarHBondContact O-N 2.97Å; E584-H586 VanDerWaalsContact C-N 3.27Å; E584-H586 PolarHBondContact O-N 3.04Å; E584-K587 PolarHBondContact O-N 2.95Å; E584-K587 WeakPolarHBondContact OE1-CD 3.4Å; E584-K587 WeakPolarHBondContact OE1-CE 3.23Å; E584-K587 IonicContact OE1-NZ 3.19Å; E584-K587 PolarHBondContact OE1-NZ 2.98Å; E584-K587 IonicContact OE2-NZ 3.86Å; E584-I588 WeakPolarHBondContact O-CB 3.25Å; E584-I588 VanDerWaalsContact O-CG1 3.24Å; E584-I588 WeakPolarHBondContact O-CG1 3.28Å; E584-I588 PolarHBondContact O-N 3.41Å
585L88.1Confident91Very high111 Ų111101.4 Ų101.458%0.58149%0.486SS*.Hα-helixtrans-59.7-37.8169.6-85.1172.3000112.2I581 K589I581-L585 HydrophobicContact CG2-CD1 4.27Å; I581-L585 WeakPolarHBondContact O-CB 3.35Å; I581-L585 PolarHBondContact O-N 3.23Å; L585-K589 WeakPolarHBondContact O-CB 3.44Å; L585-K589 PolarHBondContact O-N 3.31Å
586H90.2Very high91.1Very high124 Ų12496.9 Ų96.957%0.57447%0.473SS*.Hα-helixtrans-65.5-47.1176-162.4-74.2000111.8T582 V583 E584 I588 K589 E590T582-H586 PolarHBondContact O-N 3.29Å; V583-H586 WeakPolarHBondContact O-CB 3.45Å; V583-H586 PolarHBondContact O-N 3.48Å; V583-H586 VanDerWaalsContact O-N 3.16Å; E584-H586 VanDerWaalsContact C-N 3.27Å; E584-H586 PolarHBondContact O-N 3.04Å; H586-I588 PolarHBondContact O-N 3.13Å; H586-K589 PolarHBondContact O-N 2.92Å; H586-E590 PolarHBondContact O-N 3.2Å
587K91.9Very high90.8Very high94 Ų9493 Ų9341%0.40947%0.465SS..Hα-helixtrans-59.1-43.9174.7-70.4178.8-174.4167.20112.4V583 E584 K589 E590 N591V583-K587 PolarHBondContact O-N 3Å; E584-K587 PolarHBondContact O-N 2.95Å; E584-K587 WeakPolarHBondContact OE1-CD 3.4Å; E584-K587 WeakPolarHBondContact OE1-CE 3.23Å; E584-K587 IonicContact OE1-NZ 3.19Å; E584-K587 PolarHBondContact OE1-NZ 2.98Å; E584-K587 IonicContact OE2-NZ 3.86Å; K587-K589 VanDerWaalsContact C-N 3.32Å; K587-K589 PolarHBondContact O-N 3.22Å; K587-E590 PolarHBondContact O-N 2.89Å; K587-N591 WeakPolarHBondContact O-CB 3.49Å; K587-N591 VanDerWaalsContact O-CG 3.26Å; K587-N591 PolarHBondContact O-N 3.07Å; K587-N591 PolarHBondContact O-ND2 3.03Å
588I92.3Very high90.2Very high107 Ų10792.5 Ų92.555%0.54946%0.464SS..Hα-helixtrans-64.8-38.4179.7-70166.5000110.7E584 H586 Y592E584-I588 WeakPolarHBondContact O-CB 3.25Å; E584-I588 VanDerWaalsContact O-CG1 3.24Å; E584-I588 WeakPolarHBondContact O-CG1 3.28Å; E584-I588 PolarHBondContact O-N 3.41Å; H586-I588 PolarHBondContact O-N 3.13Å; I588-Y592 WeakPolarHBondContact O-CB 3.4Å; I588-Y592 PolarHBondContact O-N 3.22Å
589K91.6Very high90.2Very high118 Ų11893.6 Ų93.651%0.51346%0.461SS..Hα-helixtrans-65-47.2173.8-177.6-179.9176.1-64.80112.1L585 H586 K587 Y592 E593L585-K589 WeakPolarHBondContact O-CB 3.44Å; L585-K589 PolarHBondContact O-N 3.31Å; H586-K589 PolarHBondContact O-N 2.92Å; K587-K589 VanDerWaalsContact C-N 3.32Å; K587-K589 PolarHBondContact O-N 3.22Å; K589-Y592 PolarHBondContact O-N 2.89Å; K589-E593 WeakPolarHBondContact CE-OE1 3.44Å; K589-E593 IonicContact NZ-OE1 2.68Å; K589-E593 PolarHBondContact NZ-OE1 2.82Å; K589-E593 IonicContact NZ-OE2 2.68Å; K589-E593 PolarHBondContact O-N 3.26Å
590E89.9Confident90Very high32 Ų3295.2 Ų95.215%0.1547%0.466CS..Hα-helixtrans-59.2-49.4177.2-173.4-178.6170.500111.2H586 K587 Y592 E593 I594 S1162H586-E590 PolarHBondContact O-N 3.2Å; K587-E590 PolarHBondContact O-N 2.89Å; E590-Y592 VanDerWaalsContact C-N 3.3Å; E590-Y592 PolarHBondContact O-N 2.96Å; E590-E593 PolarHBondContact O-N 2.89Å; E590-E593 VanDerWaalsContact O-N 3.14Å; E590-I594 HydrophobicContact CG-CD1 4.1Å; E590-I594 WeakPolarHBondContact O-CG1 3.32Å; E590-I594 PolarHBondContact O-N 3.5Å; E590-S1162 VanDerWaalsContact OE1-CB 3.29Å; E590-S1162 WeakPolarHBondContact OE1-CB 3.35Å
591N91.1Very high89.6Confident87 Ų8793.9 Ų93.947%0.46546%0.455SS..Hα-helixtrans-59.2-38.2175.9-73.5-28.5000112.6K587 L595K587-N591 WeakPolarHBondContact O-CB 3.49Å; K587-N591 VanDerWaalsContact O-CG 3.26Å; K587-N591 PolarHBondContact O-N 3.07Å; K587-N591 PolarHBondContact O-ND2 3.03Å; N591-L595 WeakPolarHBondContact O-CB 3.21Å; N591-L595 VanDerWaalsContact O-CG 3.3Å; N591-L595 WeakPolarHBondContact O-CG 3.47Å; N591-L595 PolarHBondContact O-N 3.41Å
592Y89.6Confident89.1Confident137 Ų13793.5 Ų93.554%0.53745%0.451SS..Hα-helixtrans-66.8-37.5176.3177.8-99.7000112.7I588 K589 E590 L595 L596I588-Y592 WeakPolarHBondContact O-CB 3.4Å; I588-Y592 PolarHBondContact O-N 3.22Å; K589-Y592 PolarHBondContact O-N 2.89Å; E590-Y592 VanDerWaalsContact C-N 3.3Å; E590-Y592 PolarHBondContact O-N 2.96Å; Y592-L595 CarbonylContact O-C 3.5Å; Y592-L595 PolarHBondContact O-N 3.44Å; Y592-L596 HydrophobicContact CD1-CD1 3.93Å; Y592-L596 HydrophobicContact CE1-CD1 3.4Å; Y592-L596 VanDerWaalsContact CE1-CD1 3.4Å; Y592-L596 HydrophobicContact CE1-CG 4.24Å; Y592-L596 PolarHBondContact O-N 2.91Å
593E89.6Confident88.9Confident54 Ų5494.6 Ų94.625%0.25245%0.45SS..Hα-helixtrans-72.9-36.9176.7-71.8175.8-16000112.2K589 E590 L596 C597 Q1165K589-E593 WeakPolarHBondContact CE-OE1 3.44Å; K589-E593 IonicContact NZ-OE1 2.68Å; K589-E593 PolarHBondContact NZ-OE1 2.82Å; K589-E593 IonicContact NZ-OE2 2.68Å; K589-E593 PolarHBondContact O-N 3.26Å; E590-E593 PolarHBondContact O-N 2.89Å; E590-E593 VanDerWaalsContact O-N 3.14Å; E593-L596 WeakPolarHBondContact O-CB 3.47Å; E593-L596 PolarHBondContact O-N 3.09Å; E593-L596 VanDerWaalsContact O-N 3.1Å; E593-C597 PolarHBondContact O-N 2.86Å; E593-C597 PolarHBondContact O-SG 2.77Å; E593-Q1165 VanDerWaalsContact CB-NE2 3.34Å; E593-Q1165 PolarHBondContact OE2-NE2 3.23Å
594I91.1Very high88.5Confident76 Ų7692.8 Ų92.839%0.3944%0.44SS..Hα-helixtrans-59.4-47.2170-67166.5000110.3E590 L596 C597 E598E590-I594 HydrophobicContact CG-CD1 4.1Å; E590-I594 WeakPolarHBondContact O-CG1 3.32Å; E590-I594 PolarHBondContact O-N 3.5Å; I594-L596 PolarHBondContact O-N 3.36Å; I594-C597 PolarHBondContact O-N 2.74Å; I594-E598 WeakPolarHBondContact O-CB 3.35Å; I594-E598 PolarHBondContact O-N 2.9Å
595L89Confident87.9Confident103 Ų10392.3 Ų92.354%0.53944%0.438SS..Hα-helixtrans-68.9-10.1175.2-72.1168.8000114.5N591 Y592 R599N591-L595 WeakPolarHBondContact O-CB 3.21Å; N591-L595 VanDerWaalsContact O-CG 3.3Å; N591-L595 WeakPolarHBondContact O-CG 3.47Å; N591-L595 PolarHBondContact O-N 3.41Å; Y592-L595 CarbonylContact O-C 3.5Å; Y592-L595 PolarHBondContact O-N 3.44Å; L595-R599 WeakPolarHBondContact O-CB 3.36Å; L595-R599 PolarHBondContact O-NH2 3.14Å; L595-R599 VanDerWaalsContact O-NH2 3.13Å
596L89.7Confident88Confident57 Ų5795.5 Ų95.530%0.29844%0.442SS..Hα-helixtrans-82.5-54.2166.2-93.2164000110.1Y592 E593 I594 E598 R599 E600Y592-L596 HydrophobicContact CD1-CD1 3.93Å; Y592-L596 HydrophobicContact CE1-CD1 3.4Å; Y592-L596 VanDerWaalsContact CE1-CD1 3.4Å; Y592-L596 HydrophobicContact CE1-CG 4.24Å; Y592-L596 PolarHBondContact O-N 2.91Å; E593-L596 WeakPolarHBondContact O-CB 3.47Å; E593-L596 PolarHBondContact O-N 3.09Å; E593-L596 VanDerWaalsContact O-N 3.1Å; I594-L596 PolarHBondContact O-N 3.36Å; L596-E598 VanDerWaalsContact C-N 3.3Å; L596-E598 PolarHBondContact O-N 2.87Å; L596-R599 WeakPolarHBondContact O-CB 3.26Å; L596-R599 PolarHBondContact O-N 3.5Å; L596-E600 PolarHBondContact O-N 3.24Å
597C85Confident87.9Confident75 Ų7596 Ų9651%0.50744%0.439SS..Hα-helixtrans-58.2-40.3179.4-66.90000112.6E593 I594 E600 R601E593-C597 PolarHBondContact O-N 2.86Å; E593-C597 PolarHBondContact O-SG 2.77Å; I594-C597 PolarHBondContact O-N 2.74Å; C597-E600 PolarHBondContact O-N 3.42Å; C597-R601 WeakPolarHBondContact O-CB 3.44Å; C597-R601 PolarHBondContact O-N 3Å
598E81.6Confident87.6Confident90 Ų9095.1 Ų95.142%0.42144%0.438SS..Hα-helixtrans-67.4-40.7179.4-175.9151.1-119.600112.6I594 L596 E600 R601 E602I594-E598 WeakPolarHBondContact O-CB 3.35Å; I594-E598 PolarHBondContact O-N 2.9Å; L596-E598 VanDerWaalsContact C-N 3.3Å; L596-E598 PolarHBondContact O-N 2.87Å; E598-E600 VanDerWaalsContact C-N 3.35Å; E598-E600 PolarHBondContact O-N 2.97Å; E598-R601 WeakPolarHBondContact O-CB 3.39Å; E598-R601 PolarHBondContact O-N 3.08Å; E598-R601 IonicContact OE1-NH2 3.04Å; E598-R601 PolarHBondContact OE1-NH2 3.02Å; E598-E602 PolarHBondContact O-N 3.42Å
599R87.3Confident87.6Confident128 Ų12897.9 Ų97.948%0.48344%0.443SS..Hα-helixtrans-63.6-39174-171.3-159.6-41.3153.716.1112.2L595 L596 Q603L595-R599 WeakPolarHBondContact O-CB 3.36Å; L595-R599 PolarHBondContact O-NH2 3.14Å; L595-R599 VanDerWaalsContact O-NH2 3.13Å; L596-R599 WeakPolarHBondContact O-CB 3.26Å; L596-R599 PolarHBondContact O-N 3.5Å; R599-Q603 WeakPolarHBondContact O-CB 3.47Å; R599-Q603 PolarHBondContact O-N 2.87Å
600E85.9Confident87.8Confident131 Ų13198.1 Ų98.161%0.61245%0.446SS*.Hα-helixtrans-68.6-41.6174.6-71-159.1134.400111.9L596 C597 E598 Q603 T604L596-E600 PolarHBondContact O-N 3.24Å; C597-E600 PolarHBondContact O-N 3.42Å; E598-E600 VanDerWaalsContact C-N 3.35Å; E598-E600 PolarHBondContact O-N 2.97Å; E600-Q603 PolarHBondContact O-N 3.18Å; E600-T604 WeakPolarHBondContact O-CG2 3.42Å; E600-T604 PolarHBondContact O-N 3.18Å
601R84.8Confident87.8Confident102 Ų102102.1 Ų102.139%0.38546%0.46SS..Hα-helixtrans-53.1-57.8172.4-179.9-171.162.268.81.8110.3C597 E598 Q603 T604 E605C597-R601 WeakPolarHBondContact O-CB 3.44Å; C597-R601 PolarHBondContact O-N 3Å; E598-R601 WeakPolarHBondContact O-CB 3.39Å; E598-R601 PolarHBondContact O-N 3.08Å; E598-R601 IonicContact OE1-NH2 3.04Å; E598-R601 PolarHBondContact OE1-NH2 3.02Å; R601-Q603 VanDerWaalsContact C-N 3.31Å; R601-Q603 PolarHBondContact O-N 3.28Å; R601-T604 PolarHBondContact O-N 2.65Å; R601-T604 PolarHBondContact O-OG1 3.45Å; R601-E605 VanDerWaalsContact CG-OE1 3.27Å; R601-E605 WeakPolarHBondContact CG-OE1 3.33Å; R601-E605 IonicContact CZ-OE1 2.82Å; R601-E605 IonicContact NH1-OE1 2.72Å; R601-E605 PolarHBondContact NH1-OE1 2.94Å; R601-E605 IonicContact NH1-OE2 3.24Å; R601-E605 PolarHBondContact NH1-OE2 3.33Å; R601-E605 PolarHBondContact O-N 3.21Å
602E83.5Confident87.9Confident95 Ų95101 Ų10144%0.44445%0.454SS..Hα-helixtrans-55.9-44177.6-71.8-167.8160.800112.1E598 T604 E605 W606E598-E602 PolarHBondContact O-N 3.42Å; E602-T604 VanDerWaalsContact C-N 3.28Å; E602-T604 PolarHBondContact O-N 3.09Å; E602-E605 PolarHBondContact O-N 2.75Å; E602-E605 VanDerWaalsContact O-N 3.13Å; E602-W606 PolarHBondContact O-N 3.26Å
603Q87.6Confident88.2Confident101 Ų101100 Ų10047%0.47246%0.457SS..Hα-helixtrans-66.3-28.7179.3-162.1-178.579.400112.7R599 E600 R601 R607R599-Q603 WeakPolarHBondContact O-CB 3.47Å; R599-Q603 PolarHBondContact O-N 2.87Å; E600-Q603 PolarHBondContact O-N 3.18Å; R601-Q603 VanDerWaalsContact C-N 3.31Å; R601-Q603 PolarHBondContact O-N 3.28Å; Q603-R607 WeakPolarHBondContact O-CG 3.42Å; Q603-R607 PolarHBondContact O-N 3.36Å
604T85Confident88.4Confident43 Ų43102.8 Ų102.826%0.26447%0.473SS..Hα-helixtrans-73.6-37.2170.163.30000112.6E600 R601 E602 R607 L608 R1176E600-T604 WeakPolarHBondContact O-CG2 3.42Å; E600-T604 PolarHBondContact O-N 3.18Å; R601-T604 PolarHBondContact O-N 2.65Å; R601-T604 PolarHBondContact O-OG1 3.45Å; E602-T604 VanDerWaalsContact C-N 3.28Å; E602-T604 PolarHBondContact O-N 3.09Å; T604-R607 PolarHBondContact O-N 2.88Å; T604-L608 WeakPolarHBondContact O-CG 3.49Å; T604-L608 PolarHBondContact O-N 3.16Å; T604-L608 VanDerWaalsContact O-N 3.08Å; T604-R1176 PolarHBondContact OG1-NH1 3.1Å
605E81.5Confident88.6Confident74 Ų74103.2 Ų103.235%0.34647%0.472SS..Hα-helixtrans-64.2-46.6174.6-72.2167.6-163.900111.3R601 E602 R607 L608 Y609R601-E605 VanDerWaalsContact CG-OE1 3.27Å; R601-E605 WeakPolarHBondContact CG-OE1 3.33Å; R601-E605 IonicContact CZ-OE1 2.82Å; R601-E605 IonicContact NH1-OE1 2.72Å; R601-E605 PolarHBondContact NH1-OE1 2.94Å; R601-E605 IonicContact NH1-OE2 3.24Å; R601-E605 PolarHBondContact NH1-OE2 3.33Å; R601-E605 PolarHBondContact O-N 3.21Å; E602-E605 PolarHBondContact O-N 2.75Å; E602-E605 VanDerWaalsContact O-N 3.13Å; E605-R607 VanDerWaalsContact C-N 3.34Å; E605-R607 PolarHBondContact O-N 3.18Å; E605-L608 WeakPolarHBondContact O-CA 3.31Å; E605-L608 WeakPolarHBondContact O-CB 3.37Å; E605-L608 PolarHBondContact O-N 2.77Å; E605-Y609 HydrophobicContact CB-CE2 4.5Å; E605-Y609 WeakPolarHBondContact O-CD2 3.37Å; E605-Y609 PolarHBondContact O-N 2.75Å
606W90.7Very high88.6Confident178 Ų178101 Ų10167%0.67447%0.469SS*.Hα-helixtrans-59-39.6175.8-78.5112.3000113.2E602 L608 Y609 E610E602-W606 PolarHBondContact O-N 3.26Å; W606-L608 VanDerWaalsContact C-N 3.34Å; W606-Y609 PolarHBondContact O-N 3.39Å; W606-E610 WeakPolarHBondContact O-CB 3.39Å; W606-E610 PolarHBondContact O-N 3.19Å
607R86.8Confident88.9Confident133 Ų133102.1 Ų102.150%0.50248%0.478SS..Hα-helixtrans-66.3-33.6173.1-72.8179.1-172.4114.5-1.9112.8Q603 T604 E605 R611Q603-R607 WeakPolarHBondContact O-CG 3.42Å; Q603-R607 PolarHBondContact O-N 3.36Å; T604-R607 PolarHBondContact O-N 2.88Å; E605-R607 VanDerWaalsContact C-N 3.34Å; E605-R607 PolarHBondContact O-N 3.18Å; R607-R611 WeakPolarHBondContact O-CB 3.46Å; R607-R611 PolarHBondContact O-N 3.15Å; R607-R611 VanDerWaalsContact O-N 3.08Å
608L86Confident89.3Confident77 Ų77104 Ų10440%0.40348%0.479SS..Hα-helixtrans-70-43.1174.7-71.8167.6000111.1T604 E605 W606 R611 D612T604-L608 WeakPolarHBondContact O-CG 3.49Å; T604-L608 PolarHBondContact O-N 3.16Å; T604-L608 VanDerWaalsContact O-N 3.08Å; E605-L608 WeakPolarHBondContact O-CA 3.31Å; E605-L608 WeakPolarHBondContact O-CB 3.37Å; E605-L608 PolarHBondContact O-N 2.77Å; W606-L608 VanDerWaalsContact C-N 3.34Å; L608-R611 PolarHBondContact O-N 3.05Å; L608-D612 WeakPolarHBondContact O-CB 3.47Å; L608-D612 PolarHBondContact O-N 3.4Å
609Y93.4Very high90Very high165 Ų165103.2 Ų103.265%0.64748%0.48SS*.Hα-helixtrans-60.2-45.2173-79.2-64.9000112.3E605 W606 D612 L613E605-Y609 HydrophobicContact CB-CE2 4.5Å; E605-Y609 WeakPolarHBondContact O-CD2 3.37Å; E605-Y609 PolarHBondContact O-N 2.75Å; W606-Y609 PolarHBondContact O-N 3.39Å; Y609-D612 PolarHBondContact O-N 2.82Å; Y609-L613 WeakPolarHBondContact O-CB 3.44Å; Y609-L613 PolarHBondContact O-N 2.99Å
610E95.5Very high90.2Very high122 Ų12299.9 Ų99.957%0.5748%0.48SS*.Hα-helixtrans-57.7-50.7174.9-179.6-178.2-160.400111.5W606 D612 L613 L614W606-E610 WeakPolarHBondContact O-CB 3.39Å; W606-E610 PolarHBondContact O-N 3.19Å; E610-D612 VanDerWaalsContact C-N 3.34Å; E610-D612 PolarHBondContact O-N 3.49Å; E610-L613 PolarHBondContact O-N 2.94Å; E610-L614 HydrophobicContact CG-CD1 4.27Å; E610-L614 WeakPolarHBondContact O-CG 3.45Å; E610-L614 PolarHBondContact O-N 2.95Å
611R88.9Confident90.4Very high117 Ų11797.4 Ų97.444%0.44247%0.471SS..Hα-helixtrans-58.8-43.4179-175.9-160.170.8-170.8-5.6112.3R607 L608 L614 K615R607-R611 WeakPolarHBondContact O-CB 3.46Å; R607-R611 PolarHBondContact O-N 3.15Å; R607-R611 VanDerWaalsContact O-N 3.08Å; L608-R611 PolarHBondContact O-N 3.05Å; R611-L614 PolarHBondContact O-N 2.88Å; R611-K615 WeakPolarHBondContact O-CG 3.44Å; R611-K615 PolarHBondContact O-N 3.14Å; R611-K615 VanDerWaalsContact O-N 3.14Å
612D92.6Very high90.9Very high64 Ų6497.2 Ų97.234%0.34248%0.475SS..Hα-helixtrans-83.5-25.2-174.4-66.5-17.6000112.4L608 Y609 E610 K615 A616L608-D612 WeakPolarHBondContact O-CB 3.47Å; L608-D612 PolarHBondContact O-N 3.4Å; Y609-D612 PolarHBondContact O-N 2.82Å; E610-D612 VanDerWaalsContact C-N 3.34Å; E610-D612 PolarHBondContact O-N 3.49Å; D612-K615 PolarHBondContact O-N 2.94Å; D612-K615 WeakPolarHBondContact OD1-CD 3.47Å; D612-K615 VanDerWaalsContact OD1-CE 3.3Å; D612-K615 WeakPolarHBondContact OD1-CE 3.49Å; D612-K615 IonicContact OD1-NZ 3.5Å; D612-K615 PolarHBondContact OD1-NZ 3.4Å; D612-A616 PolarHBondContact O-N 3.28Å
613L96.6Very high91.4Very high116 Ų11697.7 Ų97.761%0.60748%0.479SS*.Hα-helixtrans-63-44.8163.317962.6000111.5Y609 E610 K615 A616 V617Y609-L613 WeakPolarHBondContact O-CB 3.44Å; Y609-L613 PolarHBondContact O-N 2.99Å; E610-L613 PolarHBondContact O-N 2.94Å; L613-K615 VanDerWaalsContact C-N 3.32Å; L613-K615 PolarHBondContact O-N 3.5Å; L613-A616 WeakPolarHBondContact O-CB 3.48Å; L613-A616 PolarHBondContact O-N 2.88Å; L613-A616 VanDerWaalsContact O-N 3.13Å; L613-V617 WeakPolarHBondContact O-CG2 3.42Å; L613-V617 PolarHBondContact O-N 2.94Å
614L95.1Very high91.8Very high112 Ų11297.7 Ų97.759%0.58648%0.478SS*.Hα-helixtrans-61.2-39176.1-74.1168.8000112.2E610 R611 V617 Q618E610-L614 HydrophobicContact CG-CD1 4.27Å; E610-L614 WeakPolarHBondContact O-CG 3.45Å; E610-L614 PolarHBondContact O-N 2.95Å; R611-L614 PolarHBondContact O-N 2.88Å; L614-V617 PolarHBondContact O-N 2.96Å; L614-Q618 PolarHBondContact O-N 3.34Å
615K93.3Very high92.3Very high84 Ų8498.7 Ų98.737%0.36548%0.484SS..Hα-helixtrans-63.5-43.4171.3-69173.7-169.1162.50112.3R611 D612 L613 V617 Q618 V619R611-K615 WeakPolarHBondContact O-CG 3.44Å; R611-K615 PolarHBondContact O-N 3.14Å; R611-K615 VanDerWaalsContact O-N 3.14Å; D612-K615 PolarHBondContact O-N 2.94Å; D612-K615 WeakPolarHBondContact OD1-CD 3.47Å; D612-K615 VanDerWaalsContact OD1-CE 3.3Å; D612-K615 WeakPolarHBondContact OD1-CE 3.49Å; D612-K615 IonicContact OD1-NZ 3.5Å; D612-K615 PolarHBondContact OD1-NZ 3.4Å; L613-K615 VanDerWaalsContact C-N 3.32Å; L613-K615 PolarHBondContact O-N 3.5Å; K615-V617 VanDerWaalsContact C-N 3.3Å; K615-V617 PolarHBondContact O-N 2.96Å; K615-Q618 PolarHBondContact O-N 2.89Å; K615-V619 WeakPolarHBondContact O-CG2 3.43Å; K615-V619 PolarHBondContact O-N 3.18Å
616A90.5Very high92.8Very high58 Ų58101.7 Ų101.748%0.47950%0.497SS..Hα-helixtrans-62.2-38.9178.500000111.7D612 L613 A620D612-A616 PolarHBondContact O-N 3.28Å; L613-A616 WeakPolarHBondContact O-CB 3.48Å; L613-A616 PolarHBondContact O-N 2.88Å; L613-A616 VanDerWaalsContact O-N 3.13Å; A616-A620 VanDerWaalsContact O-CB 3.31Å; A616-A620 WeakPolarHBondContact O-CB 3.42Å; A616-A620 PolarHBondContact O-N 3.07Å
617V94.4Very high92.8Very high79 Ų7997 Ų9748%0.47949%0.492SS..Hα-helixtrans-64-46.6172.3172.80000111.3L613 L614 K615 V619 A620 D621L613-V617 WeakPolarHBondContact O-CG2 3.42Å; L613-V617 PolarHBondContact O-N 2.94Å; L614-V617 PolarHBondContact O-N 2.96Å; K615-V617 VanDerWaalsContact C-N 3.3Å; K615-V617 PolarHBondContact O-N 2.96Å; V617-V619 PolarHBondContact O-N 3.12Å; V617-A620 PolarHBondContact O-N 3.3Å; V617-D621 PolarHBondContact O-N 3.29Å
618Q94.1Very high93.2Very high115 Ų11595.5 Ų95.554%0.53749%0.491SS..Hα-helixtrans-58.6-48.3177-177.1-176.2-23.100111.7L614 K615 A620 D621 E622L614-Q618 PolarHBondContact O-N 3.34Å; K615-Q618 PolarHBondContact O-N 2.89Å; Q618-A620 VanDerWaalsContact C-N 3.3Å; Q618-A620 PolarHBondContact O-N 3.05Å; Q618-D621 PolarHBondContact O-N 3.02Å; Q618-E622 WeakPolarHBondContact CG-OE1 3.48Å; Q618-E622 PolarHBondContact NE2-OE1 3.06Å; Q618-E622 WeakPolarHBondContact O-CG 3.4Å; Q618-E622 PolarHBondContact O-N 3.37Å
619V95.7Very high93.7Very high73 Ų7398.3 Ų98.344%0.44250%0.502SS..Hα-helixtrans-63.4-36.3178.5171.20000111.4K615 V617 E622 I623K615-V619 WeakPolarHBondContact O-CG2 3.43Å; K615-V619 PolarHBondContact O-N 3.18Å; V617-V619 PolarHBondContact O-N 3.12Å; V619-E622 PolarHBondContact O-N 2.88Å; V619-I623 HydrophobicContact CG1-CD1 3.73Å; V619-I623 HydrophobicContact CG1-CG1 4.37Å; V619-I623 WeakPolarHBondContact O-CB 3.46Å; V619-I623 VanDerWaalsContact O-CG1 3.26Å; V619-I623 WeakPolarHBondContact O-CG1 3.48Å; V619-I623 PolarHBondContact O-N 3.45Å
620A91.5Very high93.7Very high58 Ų5894.2 Ų94.248%0.47949%0.488SS..Hα-helixtrans-66.5-40.3175.600000112.8A616 V617 Q618 K624A616-A620 VanDerWaalsContact O-CB 3.31Å; A616-A620 WeakPolarHBondContact O-CB 3.42Å; A616-A620 PolarHBondContact O-N 3.07Å; V617-A620 PolarHBondContact O-N 3.3Å; Q618-A620 VanDerWaalsContact C-N 3.3Å; Q618-A620 PolarHBondContact O-N 3.05Å; A620-K624 WeakPolarHBondContact O-CB 3.45Å; A620-K624 PolarHBondContact O-N 3.17Å
621D91.5Very high93.5Very high79 Ų7992 Ų9242%0.42249%0.487SS..Hα-helixtrans-71.6-35.6174-95.1-35.7000112.2V617 Q618 K624 T625V617-D621 PolarHBondContact O-N 3.29Å; Q618-D621 PolarHBondContact O-N 3.02Å; D621-K624 PolarHBondContact O-N 3.41Å; D621-K624 IonicContact OD1-NZ 2.71Å; D621-K624 PolarHBondContact OD1-NZ 3.02Å; D621-T625 WeakPolarHBondContact O-CG2 3.25Å; D621-T625 PolarHBondContact O-N 3.47Å; D621-T625 PolarHBondContact O-OG1 2.9Å
622E94.6Very high93.8Very high99 Ų9993.2 Ų93.246%0.46350%0.497SS..Hα-helixtrans-59.9-54.9171.9-76.1175.3-167.500110.9Q618 V619 K624 T625 E626Q618-E622 WeakPolarHBondContact CG-OE1 3.48Å; Q618-E622 PolarHBondContact NE2-OE1 3.06Å; Q618-E622 WeakPolarHBondContact O-CG 3.4Å; Q618-E622 PolarHBondContact O-N 3.37Å; V619-E622 PolarHBondContact O-N 2.88Å; E622-K624 VanDerWaalsContact C-N 3.28Å; E622-K624 PolarHBondContact O-N 3.09Å; E622-T625 PolarHBondContact O-N 3.07Å; E622-T625 VanDerWaalsContact O-N 3.14Å; E622-T625 PolarHBondContact O-OG1 3.06Å; E622-E626 PolarHBondContact O-N 3.33Å
623I93.7Very high93.9Very high104 Ų10495.6 Ų95.653%0.53350%0.501SS..Hα-helixtrans-57.2-40.2176.4-69.5168000111.6V619 S627V619-I623 HydrophobicContact CG1-CD1 3.73Å; V619-I623 HydrophobicContact CG1-CG1 4.37Å; V619-I623 WeakPolarHBondContact O-CB 3.46Å; V619-I623 VanDerWaalsContact O-CG1 3.26Å; V619-I623 WeakPolarHBondContact O-CG1 3.48Å; V619-I623 PolarHBondContact O-N 3.45Å; I623-S627 VanDerWaalsContact O-CB 3.32Å; I623-S627 WeakPolarHBondContact O-CB 3.48Å; I623-S627 PolarHBondContact O-N 3.45Å
624K96.6Very high93.7Very high102 Ų10293.4 Ų93.444%0.44349%0.49SS..Hα-helixtrans-64.1-46.8176.8175.3-179.5132.7-137.90111.7A620 D621 E622 E626 S627 E628A620-K624 WeakPolarHBondContact O-CB 3.45Å; A620-K624 PolarHBondContact O-N 3.17Å; D621-K624 PolarHBondContact O-N 3.41Å; D621-K624 IonicContact OD1-NZ 2.71Å; D621-K624 PolarHBondContact OD1-NZ 3.02Å; E622-K624 VanDerWaalsContact C-N 3.28Å; E622-K624 PolarHBondContact O-N 3.09Å; K624-E626 VanDerWaalsContact C-N 3.34Å; K624-E626 PolarHBondContact O-N 2.96Å; K624-S627 PolarHBondContact O-N 2.91Å; K624-E628 WeakPolarHBondContact CE-OE1 3.48Å; K624-E628 WeakPolarHBondContact O-CB 3.39Å; K624-E628 WeakPolarHBondContact O-CG 3.49Å; K624-E628 PolarHBondContact O-N 2.91Å
625T95.8Very high93.7Very high64 Ų6493.2 Ų93.239%0.39349%0.489SS..Hα-helixtrans-68.5-31.8179.258.10000112.9D621 E622 Q629D621-T625 WeakPolarHBondContact O-CG2 3.25Å; D621-T625 PolarHBondContact O-N 3.47Å; D621-T625 PolarHBondContact O-OG1 2.9Å; E622-T625 PolarHBondContact O-N 3.07Å; E622-T625 VanDerWaalsContact O-N 3.14Å; E622-T625 PolarHBondContact O-OG1 3.06Å; T625-Q629 WeakPolarHBondContact O-CB 3.28Å; T625-Q629 VanDerWaalsContact O-CG 3.26Å; T625-Q629 WeakPolarHBondContact O-CG 3.49Å; T625-Q629 PolarHBondContact O-N 3.31Å; T625-Q629 PolarHBondContact O-NE2 3.14Å
626E92.3Very high93.8Very high136 Ų13692.8 Ų92.864%0.63650%0.497SS*.Hα-helixtrans-66.6-44.6170.4-174.2173.6-145.300111.2E622 K624 E628 Q629 E630E622-E626 PolarHBondContact O-N 3.33Å; K624-E626 VanDerWaalsContact C-N 3.34Å; K624-E626 PolarHBondContact O-N 2.96Å; E626-E628 PolarHBondContact O-N 3Å; E626-Q629 PolarHBondContact O-N 3.47Å; E626-E630 PolarHBondContact O-N 3.48Å
627S90.4Very high94Very high80 Ų8094 Ų9456%0.55949%0.493SS*.Hα-helixtrans-63.3-40.5176.5-166.10000112.7I623 K624 S631I623-S627 VanDerWaalsContact O-CB 3.32Å; I623-S627 WeakPolarHBondContact O-CB 3.48Å; I623-S627 PolarHBondContact O-N 3.45Å; K624-S627 PolarHBondContact O-N 2.91Å; S627-S631 WeakPolarHBondContact O-CB 3.2Å; S627-S631 PolarHBondContact O-N 2.9Å
628E95.5Very high93.7Very high102 Ų10293.9 Ų93.948%0.47749%0.489SS..Hα-helixtrans-63.4-41.7173.6-74.5175.6-168.800111.3K624 E626 H632K624-E628 WeakPolarHBondContact CE-OE1 3.48Å; K624-E628 WeakPolarHBondContact O-CB 3.39Å; K624-E628 WeakPolarHBondContact O-CG 3.49Å; K624-E628 PolarHBondContact O-N 2.91Å; E626-E628 PolarHBondContact O-N 3Å; E628-H632 PolarHBondContact O-CD2 3.34Å; E628-H632 VanDerWaalsContact O-CD2 3.23Å; E628-H632 PolarHBondContact O-N 3.3Å
629Q95.6Very high93.7Very high135 Ų13591.1 Ų91.163%0.63149%0.487SS*.Hα-helixtrans-65.1-47176.3-77.9173.667.900113.1T625 E626 S631 H632 R633T625-Q629 WeakPolarHBondContact O-CB 3.28Å; T625-Q629 VanDerWaalsContact O-CG 3.26Å; T625-Q629 WeakPolarHBondContact O-CG 3.49Å; T625-Q629 PolarHBondContact O-N 3.31Å; T625-Q629 PolarHBondContact O-NE2 3.14Å; E626-Q629 PolarHBondContact O-N 3.47Å; Q629-S631 VanDerWaalsContact C-N 3.34Å; Q629-S631 PolarHBondContact O-N 3.1Å; Q629-H632 WeakPolarHBondContact O-CB 3.14Å; Q629-H632 PolarHBondContact O-N 3.46Å; Q629-R633 PolarHBondContact O-N 3.46Å
630E93.9Very high93.7Very high79 Ų7990.3 Ų90.337%0.36948%0.484SS..Hα-helixtrans-67.6-35.7178.8179.356.9-165.700111.6E626 H632 R633 L634E626-E630 PolarHBondContact O-N 3.48Å; E630-H632 PolarHBondContact O-N 3.02Å; E630-R633 PolarHBondContact O-N 3.44Å; E630-R633 IonicContact OE1-CZ 3.56Å; E630-R633 IonicContact OE1-NE 3.06Å; E630-R633 PolarHBondContact OE1-NE 2.85Å; E630-R633 IonicContact OE1-NH2 3.58Å; E630-R633 PolarHBondContact OE1-NH2 2.82Å; E630-R633 WeakPolarHBondContact OE2-CD 3.47Å; E630-R633 IonicContact OE2-CZ 3.67Å; E630-R633 IonicContact OE2-NE 2.67Å; E630-R633 PolarHBondContact OE2-NE 3.3Å; E630-R633 IonicContact OE2-NH2 3.31Å; E630-L634 HydrophobicContact CG-CD1 4.04Å; E630-L634 HydrophobicContact CG-CG 4.44Å; E630-L634 WeakPolarHBondContact O-CB 3.35Å; E630-L634 WeakPolarHBondContact O-CG 3.26Å; E630-L634 PolarHBondContact O-N 3.2Å; E630-L634 WeakPolarHBondContact OE1-CG 3.43Å
631S90.2Very high93.7Very high77 Ų7791.6 Ų91.654%0.53848%0.482SS..Hα-helixtrans-59.6-44.5170.2-174.80000111.7S627 Q629 N635S627-S631 WeakPolarHBondContact O-CB 3.2Å; S627-S631 PolarHBondContact O-N 2.9Å; Q629-S631 VanDerWaalsContact C-N 3.34Å; Q629-S631 PolarHBondContact O-N 3.1Å; S631-N635 VanDerWaalsContact O-CB 3.26Å; S631-N635 WeakPolarHBondContact O-CB 3.4Å; S631-N635 PolarHBondContact O-N 3.3Å
632H95.9Very high93.8Very high141 Ų14194.4 Ų94.465%0.65349%0.491SS*.Hα-helixtrans-62.9-42.1173.3-89.3-72000112.6E628 Q629 E630 N635 S636E628-H632 PolarHBondContact O-CD2 3.34Å; E628-H632 VanDerWaalsContact O-CD2 3.23Å; E628-H632 PolarHBondContact O-N 3.3Å; Q629-H632 WeakPolarHBondContact O-CB 3.14Å; Q629-H632 PolarHBondContact O-N 3.46Å; E630-H632 PolarHBondContact O-N 3.02Å; H632-N635 PolarHBondContact O-N 3.18Å; H632-S636 PolarHBondContact O-N 3.14Å
633R95.9Very high93.8Very high114 Ų11496.4 Ų96.443%0.4350%0.5SS..Hα-helixtrans-59.8-55.1176.7-164.8-165.169.169.45.9110.8Q629 E630 N635 S636 E637Q629-R633 PolarHBondContact O-N 3.46Å; E630-R633 PolarHBondContact O-N 3.44Å; E630-R633 IonicContact OE1-CZ 3.56Å; E630-R633 IonicContact OE1-NE 3.06Å; E630-R633 PolarHBondContact OE1-NE 2.85Å; E630-R633 IonicContact OE1-NH2 3.58Å; E630-R633 PolarHBondContact OE1-NH2 2.82Å; E630-R633 WeakPolarHBondContact OE2-CD 3.47Å; E630-R633 IonicContact OE2-CZ 3.67Å; E630-R633 IonicContact OE2-NE 2.67Å; E630-R633 PolarHBondContact OE2-NE 3.3Å; E630-R633 IonicContact OE2-NH2 3.31Å; R633-N635 VanDerWaalsContact C-N 3.3Å; R633-N635 PolarHBondContact O-N 3.21Å; R633-S636 PolarHBondContact O-N 3Å; R633-S636 VanDerWaalsContact O-N 3.11Å; R633-S636 PolarHBondContact O-OG 2.99Å; R633-E637 IonicContact CZ-OE2 2.66Å; R633-E637 IonicContact NH1-OE2 2.6Å; R633-E637 PolarHBondContact NH1-OE2 3.19Å; R633-E637 IonicContact NH2-OE2 3.94Å; R633-E637 PolarHBondContact O-N 3.47Å
634L92.3Very high93.9Very high71 Ų7196.3 Ų96.337%0.37250%0.497SS..Hα-helixtrans-60.3-36.3178.9-73.3168.8000112.7E630 E637 N638E630-L634 HydrophobicContact CG-CD1 4.04Å; E630-L634 HydrophobicContact CG-CG 4.44Å; E630-L634 WeakPolarHBondContact O-CB 3.35Å; E630-L634 WeakPolarHBondContact O-CG 3.26Å; E630-L634 PolarHBondContact O-N 3.2Å; E630-L634 WeakPolarHBondContact OE1-CG 3.43Å; L634-E637 PolarHBondContact O-N 2.86Å; L634-N638 WeakPolarHBondContact O-CB 3.2Å; L634-N638 PolarHBondContact O-N 3.49Å; L634-N638 PolarHBondContact O-ND2 3.47Å
635N94Very high93.6Very high107 Ų10795.7 Ų95.757%0.57250%0.502SS*.Hα-helixtrans-69.7-35.3177-162.228.8000111.9S631 H632 R633 A639S631-N635 VanDerWaalsContact O-CB 3.26Å; S631-N635 WeakPolarHBondContact O-CB 3.4Å; S631-N635 PolarHBondContact O-N 3.3Å; H632-N635 PolarHBondContact O-N 3.18Å; R633-N635 VanDerWaalsContact C-N 3.3Å; R633-N635 PolarHBondContact O-N 3.21Å; N635-A639 PolarHBondContact O-N 3.23Å
636S94.7Very high93.6Very high76 Ų7697.7 Ų97.753%0.53151%0.507SS..Hα-helixtrans-69.2-38.917377.60000112.8H632 R633 A639 S640H632-S636 PolarHBondContact O-N 3.14Å; R633-S636 PolarHBondContact O-N 3Å; R633-S636 VanDerWaalsContact O-N 3.11Å; R633-S636 PolarHBondContact O-OG 2.99Å; S636-A639 WeakPolarHBondContact O-CB 3.26Å; S636-A639 PolarHBondContact O-N 2.87Å; S636-S640 PolarHBondContact O-N 2.96Å
637E95.2Very high93.7Very high84 Ų8497.7 Ų97.739%0.39351%0.505SS..Hα-helixtrans-65.3-44.7175.1-173.8172.9-17700111R633 L634 A639 S640 L641R633-E637 IonicContact CZ-OE2 2.66Å; R633-E637 IonicContact NH1-OE2 2.6Å; R633-E637 PolarHBondContact NH1-OE2 3.19Å; R633-E637 IonicContact NH2-OE2 3.94Å; R633-E637 PolarHBondContact O-N 3.47Å; L634-E637 PolarHBondContact O-N 2.86Å; E637-A639 VanDerWaalsContact C-N 3.26Å; E637-A639 PolarHBondContact O-N 3.21Å; E637-S640 PolarHBondContact O-N 2.87Å; E637-L641 HydrophobicContact CG-CD1 4.21Å; E637-L641 WeakPolarHBondContact O-CG 3.33Å; E637-L641 PolarHBondContact O-N 2.92Å
638N87.4Confident93.8Very high75 Ų7599.5 Ų99.540%0.40151%0.508SS..Hα-helixtrans-61.8-30.8173-86.9-85.6000113.1L634 K642L634-N638 WeakPolarHBondContact O-CB 3.2Å; L634-N638 PolarHBondContact O-N 3.49Å; L634-N638 PolarHBondContact O-ND2 3.47Å; N638-K642 WeakPolarHBondContact O-CB 3.24Å; N638-K642 WeakPolarHBondContact O-CD 3.27Å; N638-K642 WeakPolarHBondContact O-CG 3.43Å; N638-K642 PolarHBondContact O-N 3.06Å; N638-K642 VanDerWaalsContact O-N 3.08Å
639A95.4Very high93.8Very high58 Ų5898.4 Ų98.448%0.47951%0.508SS..Hα-helixtrans-69.3-46.6173.700000111.4N635 S636 E637 L641 K642 E643N635-A639 PolarHBondContact O-N 3.23Å; S636-A639 WeakPolarHBondContact O-CB 3.26Å; S636-A639 PolarHBondContact O-N 2.87Å; E637-A639 VanDerWaalsContact C-N 3.26Å; E637-A639 PolarHBondContact O-N 3.21Å; A639-L641 PolarHBondContact O-N 2.99Å; A639-K642 PolarHBondContact O-N 3.06Å; A639-E643 PolarHBondContact O-N 3.47Å
640S95.1Very high93.7Very high55 Ų5597.5 Ų97.539%0.38550%0.502SS..Hα-helixtrans-59.8-43.8174.91750000112.5S636 E637 K642 E643 Q644S636-S640 PolarHBondContact O-N 2.96Å; E637-S640 PolarHBondContact O-N 2.87Å; S640-K642 VanDerWaalsContact C-N 3.35Å; S640-K642 PolarHBondContact O-N 2.9Å; S640-E643 PolarHBondContact O-N 3.01Å; S640-Q644 WeakPolarHBondContact O-CG 3.44Å; S640-Q644 PolarHBondContact O-N 3.27Å; S640-Q644 PolarHBondContact OG-NE2 2.9Å
641L92.4Very high93.7Very high86 Ų8696.4 Ų96.445%0.4550%0.499SS..Hα-helixtrans-65-37.5176.9-69.7171.8000112E637 A639 Q644 V645E637-L641 HydrophobicContact CG-CD1 4.21Å; E637-L641 WeakPolarHBondContact O-CG 3.33Å; E637-L641 PolarHBondContact O-N 2.92Å; A639-L641 PolarHBondContact O-N 2.99Å; L641-Q644 PolarHBondContact O-N 3.33Å; L641-V645 WeakPolarHBondContact O-CG2 3.39Å; L641-V645 PolarHBondContact O-N 3.49Å
642K93.7Very high93.8Very high137 Ų13795.6 Ų95.660%0.59649%0.493SS*.Hα-helixtrans-64.2-42.6173.1-76.7166.7-174.1170.10112.2N638 A639 S640 V645 E646N638-K642 WeakPolarHBondContact O-CB 3.24Å; N638-K642 WeakPolarHBondContact O-CD 3.27Å; N638-K642 WeakPolarHBondContact O-CG 3.43Å; N638-K642 PolarHBondContact O-N 3.06Å; N638-K642 VanDerWaalsContact O-N 3.08Å; A639-K642 PolarHBondContact O-N 3.06Å; S640-K642 VanDerWaalsContact C-N 3.35Å; S640-K642 PolarHBondContact O-N 2.9Å; K642-V645 PolarHBondContact O-N 3.4Å; K642-E646 WeakPolarHBondContact O-CB 3.3Å; K642-E646 PolarHBondContact O-N 3.02Å
643E94.1Very high93.6Very high141 Ų14193.1 Ų93.166%0.65949%0.488SS*.Hα-helixtrans-62.5-42.2175.9-173.5179.3-176.400111.6A639 S640 E646 K647A639-E643 PolarHBondContact O-N 3.47Å; S640-E643 PolarHBondContact O-N 3.01Å; E643-E646 PolarHBondContact O-N 3.02Å; E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.4Å
644Q95Very high93.6Very high102 Ų10293.6 Ų93.648%0.47749%0.489SS..Hα-helixtrans-62.8-43.7175.3-72177.367.600112.3S640 L641 K647 L648S640-Q644 WeakPolarHBondContact O-CG 3.44Å; S640-Q644 PolarHBondContact O-N 3.27Å; S640-Q644 PolarHBondContact OG-NE2 2.9Å; L641-Q644 PolarHBondContact O-N 3.33Å; Q644-K647 PolarHBondContact O-N 3.05Å; Q644-L648 WeakPolarHBondContact O-CB 3.4Å; Q644-L648 WeakPolarHBondContact O-CG 3.42Å; Q644-L648 PolarHBondContact O-N 3.17Å
645V91.7Very high93.6Very high90 Ų9094.4 Ų94.455%0.54549%0.494SS..Hα-helixtrans-64.4-41.3175.1169.40000111.3L641 K642 K647 L648 T649L641-V645 WeakPolarHBondContact O-CG2 3.39Å; L641-V645 PolarHBondContact O-N 3.49Å; K642-V645 PolarHBondContact O-N 3.4Å; V645-K647 PolarHBondContact O-N 3.13Å; V645-L648 PolarHBondContact O-N 2.97Å; V645-T649 VanDerWaalsContact O-CB 3.31Å; V645-T649 WeakPolarHBondContact O-CB 3.28Å; V645-T649 PolarHBondContact O-N 3.41Å; V645-T649 PolarHBondContact O-OG1 2.81Å
646E94.4Very high93.5Very high106 Ų10693.6 Ų93.650%0.49549%0.489SS..Hα-helixtrans-63.2-42.5176-167.3-172.6152.100111.2K642 E643 T649 K650K642-E646 WeakPolarHBondContact O-CB 3.3Å; K642-E646 PolarHBondContact O-N 3.02Å; E643-E646 PolarHBondContact O-N 3.02Å; E646-T649 PolarHBondContact O-N 3.39Å; E646-K650 WeakPolarHBondContact O-CG 3.24Å; E646-K650 PolarHBondContact O-N 3.35Å; E646-K650 WeakPolarHBondContact OE1-CE 3.4Å; E646-K650 IonicContact OE1-NZ 2.69Å; E646-K650 PolarHBondContact OE1-NZ 2.91Å
647K95.2Very high93.3Very high136 Ų13692.7 Ų92.759%0.59148%0.483SS*.Hα-helixtrans-61.7-51.4175.7-174.4-168170.7-166.40111.8E643 Q644 V645 T649 K650 D651E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.4Å; Q644-K647 PolarHBondContact O-N 3.05Å; V645-K647 PolarHBondContact O-N 3.13Å; K647-T649 PolarHBondContact O-N 2.8Å; K647-K650 WeakPolarHBondContact O-CB 3.45Å; K647-K650 PolarHBondContact O-N 3.02Å; K647-K650 VanDerWaalsContact O-N 3.11Å; K647-D651 PolarHBondContact O-N 3.18Å
648L92.2Very high93.2Very high118 Ų11892.3 Ų92.362%0.61848%0.481SS*.Hα-helixtrans-61.7-33.9178.5-71.1171.4000111.9Q644 V645 S652Q644-L648 WeakPolarHBondContact O-CB 3.4Å; Q644-L648 WeakPolarHBondContact O-CG 3.42Å; Q644-L648 PolarHBondContact O-N 3.17Å; V645-L648 PolarHBondContact O-N 2.97Å; L648-S652 VanDerWaalsContact O-CB 3.26Å; L648-S652 WeakPolarHBondContact O-CB 3.44Å; L648-S652 PolarHBondContact O-N 3.06Å
649T94.6Very high93.4Very high78 Ų7892.6 Ų92.648%0.47948%0.482SS..Hα-helixtrans-64.7-46.3173.2-57.30000110.9V645 E646 K647 S652 T653V645-T649 VanDerWaalsContact O-CB 3.31Å; V645-T649 WeakPolarHBondContact O-CB 3.28Å; V645-T649 PolarHBondContact O-N 3.41Å; V645-T649 PolarHBondContact O-OG1 2.81Å; E646-T649 PolarHBondContact O-N 3.39Å; K647-T649 PolarHBondContact O-N 2.8Å; T649-S652 PolarHBondContact O-N 2.87Å; T649-T653 WeakPolarHBondContact O-CG2 3.4Å; T649-T653 PolarHBondContact O-N 2.95Å; T649-T653 PolarHBondContact O-OG1 3.27Å
650K94.5Very high93.2Very high117 Ų11793.3 Ų93.351%0.50948%0.48SS..Hα-helixtrans-59.9-49.6175.4-72.2167.3-176.9167.30111.8E646 K647 S652 T653 R654E646-K650 WeakPolarHBondContact O-CG 3.24Å; E646-K650 PolarHBondContact O-N 3.35Å; E646-K650 WeakPolarHBondContact OE1-CE 3.4Å; E646-K650 IonicContact OE1-NZ 2.69Å; E646-K650 PolarHBondContact OE1-NZ 2.91Å; K647-K650 WeakPolarHBondContact O-CB 3.45Å; K647-K650 PolarHBondContact O-N 3.02Å; K647-K650 VanDerWaalsContact O-N 3.11Å; K650-S652 VanDerWaalsContact C-N 3.31Å; K650-S652 PolarHBondContact O-N 3.25Å; K650-T653 WeakPolarHBondContact CA-OG1 3.31Å; K650-T653 PolarHBondContact O-N 2.92Å; K650-T653 PolarHBondContact O-OG1 3.01Å; K650-R654 PolarHBondContact O-N 3.27Å
651D93.9Very high93Very high56 Ų5695.2 Ų95.230%0.29949%0.485SS..Hα-helixtrans-60.3-40.3178-78.5-44.4000111.8K647 R654 L655K647-D651 PolarHBondContact O-N 3.18Å; D651-R654 PolarHBondContact O-N 3.45Å; D651-R654 IonicContact OD1-NH1 3.05Å; D651-R654 PolarHBondContact OD1-NH1 3.37Å; D651-L655 WeakPolarHBondContact O-CG 3.4Å; D651-L655 PolarHBondContact O-N 3.19Å
652S91.1Very high92.9Very high60 Ų6095.9 Ų95.942%0.4249%0.489SS..Hα-helixtrans-62.7-45.1172.9-178.10000112.6L648 T649 K650 R654 L655 N656L648-S652 VanDerWaalsContact O-CB 3.26Å; L648-S652 WeakPolarHBondContact O-CB 3.44Å; L648-S652 PolarHBondContact O-N 3.06Å; T649-S652 PolarHBondContact O-N 2.87Å; K650-S652 VanDerWaalsContact C-N 3.31Å; K650-S652 PolarHBondContact O-N 3.25Å; S652-R654 VanDerWaalsContact C-N 3.3Å; S652-R654 PolarHBondContact O-N 3.48Å; S652-L655 PolarHBondContact O-N 3.41Å; S652-N656 WeakPolarHBondContact O-CB 3.44Å; S652-N656 PolarHBondContact O-N 3.37Å; S652-N656 PolarHBondContact O-ND2 2.83Å; S652-N656 PolarHBondContact OG-ND2 3.41Å
653T93.4Very high92.7Very high88 Ų8895.2 Ų95.254%0.5449%0.486SS..Hα-helixtrans-63.7-35.4175.957.20000112.5T649 K650 N656 S657T649-T653 WeakPolarHBondContact O-CG2 3.4Å; T649-T653 PolarHBondContact O-N 2.95Å; T649-T653 PolarHBondContact O-OG1 3.27Å; K650-T653 WeakPolarHBondContact CA-OG1 3.31Å; K650-T653 PolarHBondContact O-N 2.92Å; K650-T653 PolarHBondContact O-OG1 3.01Å; T653-N656 PolarHBondContact O-N 3.03Å; T653-S657 PolarHBondContact O-N 3.12Å
654R94.4Very high92.3Very high124 Ų12492.9 Ų92.947%0.46848%0.478SS..Hα-helixtrans-64.5-50.9176-155.8-169.377.9-123.4-2.9110.9K650 D651 S652 N656 S657 E658K650-R654 PolarHBondContact O-N 3.27Å; D651-R654 PolarHBondContact O-N 3.45Å; D651-R654 IonicContact OD1-NH1 3.05Å; D651-R654 PolarHBondContact OD1-NH1 3.37Å; S652-R654 VanDerWaalsContact C-N 3.3Å; S652-R654 PolarHBondContact O-N 3.48Å; R654-N656 VanDerWaalsContact C-N 3.31Å; R654-N656 PolarHBondContact O-N 3.02Å; R654-S657 WeakPolarHBondContact O-CA 3.45Å; R654-S657 WeakPolarHBondContact O-CB 3.45Å; R654-S657 PolarHBondContact O-N 3.18Å; R654-S657 PolarHBondContact O-OG 3.41Å; R654-E658 IonicContact CZ-OE1 3.48Å; R654-E658 IonicContact NE-OE1 2.74Å; R654-E658 PolarHBondContact NE-OE1 2.96Å; R654-E658 IonicContact NH2-OE1 3.32Å; R654-E658 PolarHBondContact NH2-OE1 2.96Å; R654-E658 WeakPolarHBondContact O-CG 3.49Å; R654-E658 PolarHBondContact O-N 3.04Å
655L93.4Very high92.1Very high88 Ų8893.9 Ų93.946%0.46148%0.481SS..Hα-helixtrans-58.7-39.5176.3-72.1168.2000112.4D651 S652 S657 E658 I659D651-L655 WeakPolarHBondContact O-CG 3.4Å; D651-L655 PolarHBondContact O-N 3.19Å; S652-L655 PolarHBondContact O-N 3.41Å; L655-S657 VanDerWaalsContact C-N 3.32Å; L655-S657 PolarHBondContact O-N 3.13Å; L655-E658 PolarHBondContact O-N 3.49Å; L655-I659 WeakPolarHBondContact O-CB 3.44Å; L655-I659 WeakPolarHBondContact O-CD1 3.39Å; L655-I659 VanDerWaalsContact O-CG1 3.24Å; L655-I659 WeakPolarHBondContact O-CG1 3.43Å; L655-I659 PolarHBondContact O-N 2.96Å
656N90.6Very high91.8Very high90 Ų9094.4 Ų94.448%0.48148%0.48SS..Hα-helixtrans-64-35.1174.5-77.6-60000112.7S652 T653 R654 T660S652-N656 WeakPolarHBondContact O-CB 3.44Å; S652-N656 PolarHBondContact O-N 3.37Å; S652-N656 PolarHBondContact O-ND2 2.83Å; S652-N656 PolarHBondContact OG-ND2 3.41Å; T653-N656 PolarHBondContact O-N 3.03Å; R654-N656 VanDerWaalsContact C-N 3.31Å; R654-N656 PolarHBondContact O-N 3.02Å; N656-T660 PolarHBondContact O-N 2.72Å; N656-T660 PolarHBondContact O-OG1 2.96Å
657S91.8Very high91.1Very high57 Ų5794.1 Ų94.140%0.39948%0.481SS..Hα-helixtrans-70-41173.276.60000112.3T653 R654 L655 I659 T660 I661T653-S657 PolarHBondContact O-N 3.12Å; R654-S657 WeakPolarHBondContact O-CA 3.45Å; R654-S657 WeakPolarHBondContact O-CB 3.45Å; R654-S657 PolarHBondContact O-N 3.18Å; R654-S657 PolarHBondContact O-OG 3.41Å; L655-S657 VanDerWaalsContact C-N 3.32Å; L655-S657 PolarHBondContact O-N 3.13Å; S657-I659 PolarHBondContact O-N 2.72Å; S657-T660 WeakPolarHBondContact O-CB 3.2Å; S657-T660 PolarHBondContact O-N 2.7Å; S657-T660 VanDerWaalsContact O-N 3.17Å; S657-I661 WeakPolarHBondContact O-CG1 3.48Å; S657-I661 PolarHBondContact O-N 3.24Å
658E93.5Very high90.3Very high76 Ų7690.6 Ų90.636%0.35547%0.474SS..Hα-helixtrans-61.2-44.6174.7-67.9169.2-148.900111R654 L655 T660 I661 L662R654-E658 IonicContact CZ-OE1 3.48Å; R654-E658 IonicContact NE-OE1 2.74Å; R654-E658 PolarHBondContact NE-OE1 2.96Å; R654-E658 IonicContact NH2-OE1 3.32Å; R654-E658 PolarHBondContact NH2-OE1 2.96Å; R654-E658 WeakPolarHBondContact O-CG 3.49Å; R654-E658 PolarHBondContact O-N 3.04Å; L655-E658 PolarHBondContact O-N 3.49Å; E658-T660 VanDerWaalsContact C-N 3.31Å; E658-T660 PolarHBondContact O-N 3.25Å; E658-I661 PolarHBondContact O-N 2.71Å; E658-L662 WeakPolarHBondContact O-CG 3.45Å; E658-L662 PolarHBondContact O-N 3.41Å
659I91.7Very high89.3Confident81 Ų8190.4 Ų90.442%0.41547%0.473SS..Hα-helixtrans-61.2-37.9174.2-71.4164.8000111.6L655 S657 L662 K663L655-I659 WeakPolarHBondContact O-CB 3.44Å; L655-I659 WeakPolarHBondContact O-CD1 3.39Å; L655-I659 VanDerWaalsContact O-CG1 3.24Å; L655-I659 WeakPolarHBondContact O-CG1 3.43Å; L655-I659 PolarHBondContact O-N 2.96Å; S657-I659 PolarHBondContact O-N 2.72Å; I659-L662 PolarHBondContact O-N 2.91Å; I659-K663 HydrophobicContact CG2-CD 4.27Å; I659-K663 WeakPolarHBondContact O-CG 3.32Å; I659-K663 PolarHBondContact O-N 2.87Å
660T90.1Very high88Confident73 Ų7390 Ų9045%0.44847%0.473SS..Hα-helixtrans-66.2-48.3177.4-57.50000110.9N656 S657 E658 L662 K663 D664N656-T660 PolarHBondContact O-N 2.72Å; N656-T660 PolarHBondContact O-OG1 2.96Å; S657-T660 WeakPolarHBondContact O-CB 3.2Å; S657-T660 PolarHBondContact O-N 2.7Å; S657-T660 VanDerWaalsContact O-N 3.17Å; E658-T660 VanDerWaalsContact C-N 3.31Å; E658-T660 PolarHBondContact O-N 3.25Å; T660-L662 VanDerWaalsContact C-N 3.25Å; T660-L662 PolarHBondContact O-N 3.35Å; T660-K663 WeakPolarHBondContact O-CB 3.31Å; T660-K663 PolarHBondContact O-N 3.33Å; T660-K663 VanDerWaalsContact O-N 3.09Å; T660-D664 PolarHBondContact O-N 3.39Å
661I91.2Very high86.2Confident95 Ų9588.5 Ų88.549%0.48748%0.478SS..Hα-helixtrans-59.7-36.5176.2-66.2163.8000111.5S657 E658 K665S657-I661 WeakPolarHBondContact O-CG1 3.48Å; S657-I661 PolarHBondContact O-N 3.24Å; E658-I661 PolarHBondContact O-N 2.71Å; I661-K665 HydrophobicContact CG2-CD 4.4Å; I661-K665 WeakPolarHBondContact O-CB 3.32Å; I661-K665 WeakPolarHBondContact O-CG 3.28Å; I661-K665 PolarHBondContact O-N 2.89Å
662L89.9Confident84.4Confident101 Ų10196 Ų9653%0.52950%0.502SS..Hα-helixtrans-69.4-39.9175.3-72.4170.2000112.4E658 I659 T660 K665 I666E658-L662 WeakPolarHBondContact O-CG 3.45Å; E658-L662 PolarHBondContact O-N 3.41Å; I659-L662 PolarHBondContact O-N 2.91Å; T660-L662 VanDerWaalsContact C-N 3.25Å; T660-L662 PolarHBondContact O-N 3.35Å; L662-K665 PolarHBondContact O-N 3.13Å; L662-I666 VanDerWaalsContact O-CG1 3.27Å; L662-I666 WeakPolarHBondContact O-CG1 3.27Å; L662-I666 PolarHBondContact O-N 2.93Å
663K89.3Confident82.5Confident123 Ų12399.5 Ų99.554%0.53552%0.516SS..Hα-helixtrans-61.2-45.2172.6-74.8171.6178.7177.90111.7I659 T660 K665 I666 N667I659-K663 HydrophobicContact CG2-CD 4.27Å; I659-K663 WeakPolarHBondContact O-CG 3.32Å; I659-K663 PolarHBondContact O-N 2.87Å; T660-K663 WeakPolarHBondContact O-CB 3.31Å; T660-K663 PolarHBondContact O-N 3.33Å; T660-K663 VanDerWaalsContact O-N 3.09Å; K663-K665 VanDerWaalsContact C-N 3.34Å; K663-K665 PolarHBondContact O-N 2.91Å; K663-I666 PolarHBondContact O-N 3.19Å; K663-N667 PolarHBondContact O-N 3.47Å; K663-N667 PolarHBondContact O-ND2 3.44Å
664D87.2Confident80.4Confident92 Ų92102.2 Ų102.249%0.49253%0.527SS..Hα-helixtrans-65.6-37.9178.8-66.4-27.1000112T660 N667 S668T660-D664 PolarHBondContact O-N 3.39Å; D664-N667 PolarHBondContact O-N 2.92Å; D664-S668 WeakPolarHBondContact O-CB 3.34Å; D664-S668 PolarHBondContact O-N 3.19Å; D664-S668 PolarHBondContact O-OG 3.49Å
665K89.2Confident77.7Confident122 Ų12299.4 Ų99.453%0.5354%0.536SS..Hα-helixtrans-60.9-46.5170.2-78.5176.4178.7-1800112I661 L662 K663 N667 S668 L669I661-K665 HydrophobicContact CG2-CD 4.4Å; I661-K665 WeakPolarHBondContact O-CB 3.32Å; I661-K665 WeakPolarHBondContact O-CG 3.28Å; I661-K665 PolarHBondContact O-N 2.89Å; L662-K665 PolarHBondContact O-N 3.13Å; K663-K665 VanDerWaalsContact C-N 3.34Å; K663-K665 PolarHBondContact O-N 2.91Å; K665-N667 PolarHBondContact O-N 3.49Å; K665-S668 WeakPolarHBondContact CA-OG 3.46Å; K665-S668 PolarHBondContact O-N 3.46Å; K665-S668 PolarHBondContact O-OG 3.18Å; K665-L669 WeakPolarHBondContact O-CG 3.42Å; K665-L669 PolarHBondContact O-N 3.27Å
666I86.3Confident75Confident102 Ų102102.5 Ų102.552%0.52355%0.554SS.*Hα-helixtrans-58.3-49175.9-70.7162.8000110.3L662 K663 S668 L669 S670L662-I666 VanDerWaalsContact O-CG1 3.27Å; L662-I666 WeakPolarHBondContact O-CG1 3.27Å; L662-I666 PolarHBondContact O-N 2.93Å; K663-I666 PolarHBondContact O-N 3.19Å; I666-S668 VanDerWaalsContact C-N 3.29Å; I666-S668 PolarHBondContact O-N 3.3Å; I666-L669 PolarHBondContact O-N 2.93Å; I666-S670 PolarHBondContact O-N 2.74Å; I666-S670 PolarHBondContact O-OG 3.39Å
667N80Confident72.5Confident99 Ų99107.9 Ų107.953%0.52958%0.576SS.*Hα-helixtrans-56.9-41176.6-65.9-25.9000112.1K663 D664 K665 L669 S670 S671K663-N667 PolarHBondContact O-N 3.47Å; K663-N667 PolarHBondContact O-ND2 3.44Å; D664-N667 PolarHBondContact O-N 2.92Å; K665-N667 PolarHBondContact O-N 3.49Å; N667-L669 VanDerWaalsContact C-N 3.31Å; N667-L669 PolarHBondContact O-N 3.02Å; N667-S670 PolarHBondContact O-N 2.9Å; N667-S671 PolarHBondContact O-N 3.45Å; N667-S671 PolarHBondContact O-OG 3.17Å
668S77.3Confident69.8Low63 Ų63113.8 Ų113.844%0.44160%0.597SS.*Hα-helixtrans-71.4-20.9177.278.20000114.6D664 K665 I666 S671 R672D664-S668 WeakPolarHBondContact O-CB 3.34Å; D664-S668 PolarHBondContact O-N 3.19Å; D664-S668 PolarHBondContact O-OG 3.49Å; K665-S668 WeakPolarHBondContact CA-OG 3.46Å; K665-S668 PolarHBondContact O-N 3.46Å; K665-S668 PolarHBondContact O-OG 3.18Å; I666-S668 VanDerWaalsContact C-N 3.29Å; I666-S668 PolarHBondContact O-N 3.3Å; S668-S671 PolarHBondContact O-OG 2.94Å; S668-R672 WeakPolarHBondContact O-CB 3.43Å
669L72.1Confident67.1Low113 Ų113117.4 Ų117.459%0.59262%0.618SS**Hα-helixtrans-85.5-40.3173.2-70.4167.9000110.6K665 I666 N667 R672 N673K665-L669 WeakPolarHBondContact O-CG 3.42Å; K665-L669 PolarHBondContact O-N 3.27Å; I666-L669 PolarHBondContact O-N 2.93Å; N667-L669 VanDerWaalsContact C-N 3.31Å; N667-L669 PolarHBondContact O-N 3.02Å; L669-R672 PolarHBondContact O-N 3.35Å; L669-N673 PolarHBondContact O-N 3.04Å; L669-N673 VanDerWaalsContact O-N 3.14Å
670S67Low64.3Low69 Ų69119.5 Ų119.548%0.48363%0.63SS.*Hα-helixtrans-60.9-43.8173.7-62.60000112.3I666 N667 R672 N673I666-S670 PolarHBondContact O-N 2.74Å; I666-S670 PolarHBondContact O-OG 3.39Å; N667-S670 PolarHBondContact O-N 2.9Å; S670-R672 PolarHBondContact O-N 2.94Å; S670-N673 PolarHBondContact O-N 3.3Å
671S57.8Low61.6Low87 Ų87125.8 Ų125.861%0.60865%0.651SS**THydrogen-bonded Turntrans-66.4-27.617662.90000113.2N667 S668N667-S671 PolarHBondContact O-N 3.45Å; N667-S671 PolarHBondContact O-OG 3.17Å; S668-S671 PolarHBondContact O-OG 2.94Å
672R55.8Low58.9Low212 Ų212126.7 Ų126.780%0.866%0.661SS**THydrogen-bonded Turntrans-82.4-11.3178.5-169.4166.9176.8167.3-2.4113.7S668 L669 S670S668-R672 WeakPolarHBondContact O-CB 3.43Å; L669-R672 PolarHBondContact O-N 3.35Å; S670-R672 PolarHBondContact O-N 2.94Å
673N50.6Low56.3Low135 Ų135127.3 Ų127.372%0.72267%0.674SS**SBendtrans-91.9-9.1179.7-15155.3000113.9L669 S670 G675L669-N673 PolarHBondContact O-N 3.04Å; L669-N673 VanDerWaalsContact O-N 3.14Å; S670-N673 PolarHBondContact O-N 3.3Å; N673-G675 PolarHBondContact O-N 3.42Å
674N49.3Very low53.6Low145 Ų145124.9 Ų124.978%0.77568%0.684SS**THydrogen-bonded Turntrans-8723178.4-68.2-1.1000113.3
675G37.1Very low50.9Low64 Ų64130.9 Ų130.966%0.6671%0.706SS**THydrogen-bonded Turntrans-95.2-16-173.500000115.9N673N673-G675 PolarHBondContact O-N 3.42Å
676N36.8Very low48.3Very low154 Ų154133.3 Ų133.382%0.82472%0.719SS**  trans-130.687.8-172.9-76.8-10.3000111.4
677E38.7Very low45.7Very low202 Ų202136.2 Ų136.294%0.94474%0.735SS**  trans-170.9129.2135-109.8169.4-145.900110.3
678H34.5Very low43.4Very low182 Ų182136.9 Ų136.984%0.84375%0.747SS**  trans-140.4114-178.2-140.8-72.3000106.6
679L38.1Very low41.4Very low152 Ų152138.6 Ų138.680%0.79676%0.759SS**  trans175.8106.9147-97.4165.5000112.5
680N31.6Very low39.6Very low124 Ų124140.7 Ų140.766%0.66377%0.771SS**  trans28.4124.3139.3-52.6-8.5000120.5
681F34.1Very low38.2Very low205 Ų205140.8 Ų140.890%0.89978%0.783SS**  -150.1150.6107.9-121.7-81.5000112.9
682T35Very low37.3Very low114 Ų114142.8 Ų142.870%0.69979%0.792SS**  trans-112.5165.3-172.146.20000110.5
683S34.1Very low36.2Very low115 Ų115139.2 Ų139.280%0.80479%0.788SS**  cis-178.7163.5-8.847.30000109.8
684G33Very low35.6Very low72 Ų72141.6 Ų141.674%0.74279%0.792SS**  trans105148.3166.500000114.1
685F31.2Very low35.3Very low217 Ų217140.6 Ų140.695%0.95279%0.794SS**  cis-112.3170.116.4-97.8-104.3000115
686H34.1Very low35.4Very low174 Ų174144.4 Ų144.481%0.80680%0.799SS**  trans-121.1161.5-179-134.5-84.1000111.1
687L31.7Very low35.9Very low162 Ų162141.9 Ų141.985%0.84879%0.791SS**  trans-129.9145.6169.3-88169.3000112.4
688S32.3Very low35.6Very low114 Ų114139.4 Ų139.480%0.79779%0.785SS**  trans-162.6161.3168.9-65.80000105.4
689S34.4Very low36.1Very low99 Ų99135.9 Ų135.969%0.69278%0.778SS**  cis-150.7-175.518.6-175.40000110.3
690D35.1Very low36Very low156 Ų156135.2 Ų135.283%0.83478%0.78SS**  trans77.4140.2163.9-57.97000116.2
691G36Very low36Very low71 Ų71134.1 Ų134.173%0.73278%0.782SS**  cis131.5137.4-0.200000111.2
692T38.9Very low35.9Very low130 Ų130130.6 Ų130.680%0.79878%0.777SS**  cis-99.2-153.37.654.60000111
693D33.9Very low35.7Very low136 Ų136129.7 Ų129.773%0.72778%0.776SS**  cis-154.2-159.26.3-138.8-53.6000113.8
694K38.1Very low35.5Very low185 Ų185128.7 Ų128.780%0.80477%0.769SS**  trans-143.9-179.8-162.9-75178.6-179.6173.70110.8
695P42.8Very low35.4Very low124 Ų124130.9 Ų130.981%0.80577%0.768SS**  cis-127.9166.8-0.222.90.9000117
696N38.4Very low35.2Very low144 Ų144125.3 Ų125.377%0.7776%0.756SS**  trans-107.1148.9162.1176.330000108.9
697P47.6Very low34.9Very low102 Ų102121.5 Ų121.566%0.66275%0.748SS**  -152169.6121.837.9-20.3000114.3
698N33.4Very low34.8Very low150 Ų150121.3 Ų121.380%0.80275%0.748SS**  cis-156.3168.1-3.8-122.2-0.5000111.6
699P45.1Very low34.6Very low107 Ų107124.5 Ų124.570%0.69575%0.751SS**  trans-119.9164.2-174.242.1-32.3000117.2
700T34.2Very low34.8Very low139 Ų139125 Ų12585%0.85375%0.752SS**  trans-173.4157.7164.526.30000107.4
701S31.6Very low34.6Very low100 Ų100125.4 Ų125.470%0.69975%0.752SS**  cis-174.5172.5-19.952.10000106.6
702V34Very low34.3Very low132 Ų132129.3 Ų129.380%0.876%0.755SS**  cis-140.9-172.76.2-136.40000111.6
703S29Very low33.9Very low95 Ų95128 Ų12866%0.66475%0.752SS**  trans-53.9153.2177.756.20000122.3
704S30.7Very low33.7Very low94 Ų94129.3 Ų129.366%0.65776%0.759SS**  88.4123.2121.365.40000125.2
705T30.1Very low33.4Very low118 Ų118127.9 Ų127.972%0.72476%0.758SS**  trans67.599.4130.258.30000122.8
706S27Very low32.8Very low100 Ų100128.5 Ų128.570%0.69975%0.753SS**  49.9129.711765.10000123.2
707S27.9Very low32.5Very low93 Ų93128.6 Ų128.665%0.6575%0.749SS**  trans59.911414162.20000120.2
708N30.7Very low31.7Very low159 Ų159130.4 Ų130.485%0.8575%0.753SS**  -164.6175.787.8-98.8-54.4000113.4
709Q28.2Very low31.6Very low180 Ų180130.9 Ų130.984%0.84175%0.754SS**  trans-78.7163.1-172.1-77.8-79.4-29.100114
710P37.3Very low30.8Very low111 Ų111131.3 Ų131.372%0.72176%0.758SS**  trans-99.8162.9-154.638.5-37.7000116.2
711I32.1Very low31.2Very low163 Ų163130 Ų13084%0.83675%0.752SS**  trans-135.1124.5166.2-62.5-177.2000111.5
712L28.7Very low31.2Very low154 Ų154130 Ų13081%0.80675%0.752SS**  trans11.8153.5154.9-73.4160.6000124.6
713S30.6Very low31.1Very low103 Ų103129.1 Ų129.172%0.7275%0.752SS**  trans67.4114.7159.342.50000117.7
714N29.8Very low31.2Very low163 Ų163129.7 Ų129.787%0.87276%0.756SS**  88.2155.559.4-89.8-13.6000113.8
715I31.6Very low31.1Very low154 Ų154128.5 Ų128.579%0.7975%0.752SS**  trans10197.1166.2-59.3-175.8000116.6
716I31.2Very low31Very low137 Ų137133.2 Ų133.270%0.70376%0.758SS**  trans105.1117132.4-86.6175.4000122.6
717Q32.4Very low31.1Very low146 Ų146134.5 Ų134.568%0.68276%0.756SS**  trans71.3120.6143.7-72.7173.611.300123.5
718N29.4Very low31.2Very low140 Ų140134.3 Ų134.375%0.74975%0.751SS**  trans66.9142134.2-50.9-14000117.8
719I31.7Very low31.2Very low160 Ų160130 Ų13082%0.82173%0.73SS**  cis-13314322.7-65.2167000112.2
720C28Very low31.3Very low117 Ų117128.1 Ų128.179%0.79173%0.727SS**  trans-134.1169.2153.8-91.70000106
721P42.8Very low31Very low112 Ų112129.2 Ų129.273%0.72773%0.731SS**  cis-125-163.320.531.8-6.9000111.2
722S31.9Very low30.9Very low98 Ų98127.2 Ų127.269%0.68573%0.727SS**  cis-152.7131.526.4-72.50000110.8
723S32.1Very low31Very low115 Ų115126.2 Ų126.280%0.80473%0.727SS**  79.9140.686.3-50.30000113.5
724S30.8Very low31Very low106 Ų106129.1 Ų129.174%0.74174%0.735SS**  cis-156.2128.54.4176.60000108.6
725A28.9Very low31.1Very low70 Ų70127.3 Ų127.358%0.57974%0.735SS**  64.6122.589.800000114.5
726Y28.1Very low30.9Very low217 Ų217126.5 Ų126.585%0.85174%0.741SS**  74.5153.877.7-69.1-42.2000113.4
727L27.9Very low30.6Very low127 Ų127131 Ų13167%0.66575%0.75SS**  cis-156.2-155.20.5-123.9166.2000111.7
728T30.3Very low30.5Very low89 Ų89132.6 Ų132.655%0.54676%0.762SS.*  trans-113.6-178.5-169.651.50000115.8K95 K96K95-T728 CarbonylContact C-O 3.5Å; K95-T728 VanDerWaalsContact C-O 3.27Å; K95-T728 PolarHBondContact N-O 3Å; K96-T728 PolarHBondContact N-O 3.26Å
729T31.1Very low30.4Very low67 Ų67130 Ų13041%0.41176%0.76SS.*  trans130.9119.4135.270.70000119.3
730N31.7Very low30.8Very low142 Ų142128.5 Ų128.576%0.75976%0.76SS**  59.5130.4124.8-61.312.1000126.9
731T29.2Very low31Very low134 Ų134126.5 Ų126.582%0.82276%0.76SS**  trans60.3177.9137.257.90000122.8
732T29.8Very low30.4Very low120 Ų120127.4 Ų127.474%0.73676%0.763SS**  trans-116.4154.3-139.142.80000116.9
733T31.5Very low30.3Very low133 Ų133130.4 Ų130.482%0.81677%0.771SS**  trans11.6130.5153.756.50000120.8
734N31.4Very low30.6Very low164 Ų164131 Ų13188%0.87777%0.769SS**  trans-130.8147.1159.7-98.8-28.2000109.8
735S30.5Very low30.5Very low126 Ų126132.6 Ų132.688%0.88177%0.77SS**  trans-171115.6149.2-85.20000111.8
736C27.7Very low30.8Very low137 Ų137137.4 Ų137.493%0.92679%0.786SS**  trans-156.1168143.4-141.40000110.4
737R25.9Very low31Very low232 Ų232131.3 Ų131.388%0.87578%0.775SS**  trans-78.7159.3-165.9-64.4173.2165.9-171.4-3.9114.3
738L30.2Very low31Very low179 Ų179135.2 Ų135.294%0.93778%0.782SS**  -163.7169.7112.6-99.7167.8000110.7
739A28Very low31.3Very low85 Ų85137.4 Ų137.470%0.70280%0.796SS**  trans-156.4-172.6-169.100000110
740P39.6Very low31.2Very low129 Ų129137.3 Ų137.384%0.83881%0.808SS**  cis-124.4179.6-34.630.3-11.4000113.1
741G31Very low31.1Very low75 Ų75142.1 Ų142.177%0.77382%0.815SS**  trans-153.4154.4167.300000110.8
742T30.4Very low31.2Very low131 Ų131142.8 Ų142.880%0.80481%0.814SS**  trans-122.4175.5-156.8500000116
743L31Very low31.1Very low160 Ų160142 Ų14284%0.83881%0.813SS**  trans84.1137.2177.8-58.9159000114.5
744T37Very low31Very low127 Ų127142.9 Ų142.978%0.77981%0.811SS**  cis-128.9175.7749.20000113.5
745D28.9Very low30.9Very low140 Ų140142.5 Ų142.575%0.74981%0.806SS**  trans-68.8152-171-55.8-93.9000117.9
746N34.8Very low30.7Very low171 Ų171144.1 Ų144.191%0.91480%0.8SS**  -154.4150.4123-106.1-44.5000110.3
747S32.5Very low31.5Very low89 Ų89142.1 Ų142.162%0.62279%0.785SS**  trans-119165.9-162.456.50000114.5
748Y29.2Very low31.5Very low210 Ų210140.3 Ų140.382%0.82478%0.784SS**  trans68.1130.7-176.9-56.6-95.2000114.6
749T35Very low31.5Very low134 Ų134137.6 Ų137.682%0.82278%0.775SS**  cis-162.2161.6-3.59.60000108.3
750G30.2Very low31.6Very low65 Ų65137 Ų13767%0.6777%0.77SS**  cis144.6120.2-6.200000113.3
751R29.8Very low31.2Very low243 Ų243139.5 Ų139.592%0.91777%0.77SS**  trans66.8156-178.7-82.4179.4176.9-179.2-1.5115.3
752N30.2Very low31Very low148 Ų148146.6 Ų146.679%0.79177%0.773SS**  cis-135.618014.6-114.4-18.2000112.9
753S27.7Very low30.8Very low103 Ų103144.8 Ų144.872%0.7277%0.766SS**  trans-141.5173.3173.6-164.50000111.2
754I30.1Very low30.9Very low152 Ų152144.3 Ų144.378%0.77977%0.77SS**  trans83.9122159.4-68.8166.7000119.6
755M28.6Very low30.5Very low156 Ų156141.2 Ų141.277%0.76876%0.764SS**  trans75.9111.6150.6-72.4-77.310600124.4
756H26.7Very low30.5Very low161 Ų161144 Ų14475%0.74577%0.77SS**  -5.6163.5120-81.3-93.3000119.6
757P44.3Very low30.3Very low95 Ų95141.2 Ų141.262%0.61776%0.755SS**  cis-146.6-165.2-40.840.9-21.1000114.5
758F27.2Very low30Very low194 Ų194146.3 Ų146.385%0.85177%0.768SS**  trans87.6129.1155.1-87.2-56.1000123.3
759T28.3Very low30Very low122 Ų122141.3 Ų141.375%0.74876%0.76SS**  trans67106.4145.3-470000120.3
760A30.1Very low29.8Very low73 Ų73142.8 Ų142.860%0.60376%0.763SS**  177.71549700000113.2
761H32.1Very low29.8Very low180 Ų180147 Ų14783%0.83377%0.765SS**  trans50.9123.1168.3-50.7-70000118.9
762R26.5Very low29.6Very low224 Ų224142.1 Ų142.185%0.84576%0.756SS**  cis9589.927.5-160.7-178.3-153.8-103.97.4115.6
763S26.7Very low29.5Very low94 Ų94143.3 Ų143.366%0.65776%0.756SS**  trans80.5151.2144.1-58.90000121.3
764T33.3Very low29.4Very low149 Ų149143 Ų14391%0.91475%0.754SS**  trans69.1126.4175.967.60000116.4
765G28Very low29.4Very low63 Ų63141.9 Ų141.965%0.64975%0.754SS**  cis136.1135.1-21.800000115.2
766F29.6Very low29.5Very low198 Ų198145.6 Ų145.687%0.86876%0.762SS**  trans62.7143.9166.7-73.1-106.4000116.9
767N29.4Very low30.1Very low112 Ų112143.6 Ų143.660%0.59976%0.763SS**  cis-161.1151.9-20.8-130.317.4000108.9
768H27.4Very low29.5Very low196 Ų196142.7 Ų142.791%0.90777%0.771SS**  trans-136104.5156.3-98.4-53.2000110.5
769T29Very low29.7Very low106 Ų106139 Ų13965%0.6577%0.77SS**  trans-98.3137167.947.10000109.5
770N30.6Very low30.1Very low164 Ų164139.8 Ų139.888%0.87778%0.776SS**  trans-149.4164161.1-118.6-24.6000111.6
771H30.3Very low30.2Very low154 Ų154139.8 Ų139.871%0.71378%0.784SS**  trans-105.6152.1-150.9-92.2-103000116.9
772L25.3Very low30.1Very low140 Ų140135.9 Ų135.973%0.73378%0.783SS**  trans54.396.8138.6-63.1166.6000121.4
773H29.4Very low30.6Very low174 Ų174131.7 Ų131.781%0.80678%0.784SS**  -163.2141.8116.7-106.364.8000108.3
774S24.7Very low30.8Very low97 Ų97131 Ų13168%0.67879%0.792SS**  cis84.370.723-166.60000116.6
775T30.6Very low30.6Very low127 Ų127135.3 Ų135.378%0.77979%0.792SS**  trans-147.5124.9152.4-34.50000112.2
776Y29.4Very low31Very low234 Ų234137.1 Ų137.192%0.91879%0.792SS**  trans-158.5130.5160.4-110.3-67.8000108.9
777P40.2Very low30.9Very low119 Ų119133.5 Ų133.577%0.77379%0.792SS**  trans-126.1143.3150.835.6-25.2000110.9
778G31.4Very low30.8Very low76 Ų76133.2 Ų133.278%0.78481%0.805SS**  cis-174158.3-6.200000110.8
779S31.7Very low30.9Very low118 Ų118129.3 Ų129.383%0.82579%0.79SS**  trans-76.9170179.3-46.60000112.4
780P36.3Very low31.1Very low137 Ų137130 Ų13089%0.8980%0.799SS**  -137.516482.938.3-25.6000113.5
781G31.6Very low31.4Very low74 Ų74128.3 Ų128.376%0.76380%0.795SS**  cis173.1162.8-3.100000111.2
782A31Very low31.9Very low98 Ų98123.9 Ų123.981%0.8179%0.791SS**  trans-139.8154.9172.400000108.1
783P37.9Very low32.9Very low135 Ų135121.7 Ų121.788%0.87779%0.785SS**  -147.2158.179.637.8-20.2000116.4
784G30.2Very low34.6Very low80 Ų80118.3 Ų118.383%0.82578%0.776SS**  trans-166.2124.8167.300000111.3
785R29.4Very low36.2Very low239 Ų239119 Ų11990%0.90278%0.776SS**  trans-152.8150.5-172.4-172.4-174.2-168-112.25109.5
786P35.4Very low37.6Very low101 Ų101123.2 Ų123.266%0.65678%0.778SS**  cis-117.5173.9-21.225.7-6000112.8
787S28.2Very low39.3Very low123 Ų123115 Ų11586%0.8675%0.754SS**  trans-149.9137.4148.3-81.50000109.2
788A26.5Very low40.7Very low106 Ų106113.9 Ų113.988%0.87674%0.741SS**  trans-80136.3-172.700000111.9
789L30.5Very low42.9Very low113 Ų113114.3 Ų114.359%0.59273%0.725SS**  trans-107.2128.7161.5-78.7165.1000108.3T791L789-T791 PolarHBondContact O-N 3.1Å
790S32.6Very low44.9Very low122 Ų122112.8 Ų112.885%0.85371%0.705SS**PPolyproline II helixtrans-70.3125.5-174.1-166.50000111.2
791T37.8Very low46.6Very low128 Ų128108.8 Ų108.879%0.78568%0.68SS**PPolyproline II helixtrans-65.7132.9163.347.30000109.5L789L789-T791 PolarHBondContact O-N 3.1Å
792G40.2Very low48.9Very low60 Ų60109.7 Ų109.762%0.61967%0.666SS**PPolyproline II helixtrans-58.6155.817100000112T794G792-T794 PolarHBondContact O-N 3.2Å
793P45.5Very low51.1Low94 Ų94108.5 Ų108.561%0.6164%0.644SS**PPolyproline II helixtrans-62126.8-176.626-34000110.7
794T66.3Low52.8Low103 Ų103106.3 Ų106.363%0.63263%0.625SS**PPolyproline II helixtrans-60.7156.2166.239.70000110.2G792 R796 S797 L798G792-T794 PolarHBondContact O-N 3.2Å; T794-R796 PolarHBondContact O-N 3.06Å; T794-R796 VanDerWaalsContact O-N 3.11Å; T794-S797 WeakPolarHBondContact O-CA 3.35Å; T794-S797 WeakPolarHBondContact O-CB 3.37Å; T794-S797 PolarHBondContact O-N 3.02Å; T794-L798 PolarHBondContact O-N 3.18Å
795V57.4Low54.8Low111 Ų111108.4 Ų108.467%0.67361%0.613SS**Hα-helixtrans-53.7-37.2-178.7179.60000112.1S797 L798 I799V795-S797 PolarHBondContact O-N 3.09Å; V795-L798 PolarHBondContact O-N 2.67Å; V795-I799 HydrophobicContact CG1-CD1 3.9Å; V795-I799 HydrophobicContact CG1-CG1 4.45Å; V795-I799 WeakPolarHBondContact O-CG1 3.45Å; V795-I799 PolarHBondContact O-N 3.31Å
796R60.7Low57Low217 Ų217100.6 Ų100.682%0.81959%0.592SS**Hα-helixtrans-62-37.5171.9-73.9-174.5176.4173.9-1.5113.7T794 Q800T794-R796 PolarHBondContact O-N 3.06Å; T794-R796 VanDerWaalsContact O-N 3.11Å; R796-Q800 WeakPolarHBondContact O-CB 3.33Å; R796-Q800 PolarHBondContact O-N 3.16Å
797S64Low58.9Low60 Ų60100.5 Ų100.542%0.4258%0.581SS.*Hα-helixtrans-70.1-33.9175.51780000112.1T794 V795 S801T794-S797 WeakPolarHBondContact O-CA 3.35Å; T794-S797 WeakPolarHBondContact O-CB 3.37Å; T794-S797 PolarHBondContact O-N 3.02Å; V795-S797 PolarHBondContact O-N 3.09Å; S797-S801 VanDerWaalsContact O-CB 3.31Å; S797-S801 WeakPolarHBondContact O-CB 3.41Å; S797-S801 PolarHBondContact O-N 3.35Å
798L70.5Confident60.5Low96 Ų9697.3 Ų97.350%0.50356%0.563SS.*Hα-helixtrans-67.6-47.7172.4-172.569.5000111.3T794 V795 Q800 S801 I802T794-L798 PolarHBondContact O-N 3.18Å; V795-L798 PolarHBondContact O-N 2.67Å; L798-Q800 PolarHBondContact O-N 3.11Å; L798-S801 WeakPolarHBondContact O-CB 3.46Å; L798-S801 PolarHBondContact O-N 3.49Å; L798-S801 VanDerWaalsContact O-N 3.15Å; L798-I802 HydrophobicContact CG-CD1 4.08Å; L798-I802 WeakPolarHBondContact O-CG1 3.5Å; L798-I802 PolarHBondContact O-N 3.19Å
799I77.1Confident62.3Low86 Ų8696.7 Ų96.744%0.44155%0.548SS..Hα-helixtrans-57.5-48.8175.3-68.7165.8000110.3V795 S801 I802 E803V795-I799 HydrophobicContact CG1-CD1 3.9Å; V795-I799 HydrophobicContact CG1-CG1 4.45Å; V795-I799 WeakPolarHBondContact O-CG1 3.45Å; V795-I799 PolarHBondContact O-N 3.31Å; I799-S801 VanDerWaalsContact C-N 3.28Å; I799-S801 PolarHBondContact O-N 2.85Å; I799-I802 PolarHBondContact O-N 3.05Å; I799-E803 PolarHBondContact O-N 3.22Å
800Q73.9Confident63.6Low86 Ų8696.9 Ų96.940%0.40255%0.546SS..Hα-helixtrans-64.7-32.4178.2-162.366.37800112.6R796 L798 E803 N804R796-Q800 WeakPolarHBondContact O-CB 3.33Å; R796-Q800 PolarHBondContact O-N 3.16Å; L798-Q800 PolarHBondContact O-N 3.11Å; Q800-E803 PolarHBondContact NE2-OE2 2.7Å; Q800-N804 PolarHBondContact NE2-OD1 3.5Å; Q800-N804 WeakPolarHBondContact O-CB 3.36Å; Q800-N804 PolarHBondContact O-N 3.05Å; Q800-N804 PolarHBondContact O-ND2 3.33Å; Q800-N804 PolarHBondContact O-OD1 2.84Å
801S72.7Confident64.4Low52 Ų5296.8 Ų96.836%0.36453%0.531SS..Hα-helixtrans-67.6-42.4173.9-166.60000111.7S797 L798 I799 N804 Q805S797-S801 VanDerWaalsContact O-CB 3.31Å; S797-S801 WeakPolarHBondContact O-CB 3.41Å; S797-S801 PolarHBondContact O-N 3.35Å; L798-S801 WeakPolarHBondContact O-CB 3.46Å; L798-S801 PolarHBondContact O-N 3.49Å; L798-S801 VanDerWaalsContact O-N 3.15Å; I799-S801 VanDerWaalsContact C-N 3.28Å; I799-S801 PolarHBondContact O-N 2.85Å; S801-N804 PolarHBondContact O-N 2.72Å; S801-Q805 WeakPolarHBondContact O-CB 3.19Å; S801-Q805 VanDerWaalsContact O-CG 3.31Å; S801-Q805 WeakPolarHBondContact O-CG 3.48Å; S801-Q805 PolarHBondContact O-N 3.04Å
802I79.4Confident65Low93 Ų9398 Ų9848%0.47753%0.528SS..Hα-helixtrans-65.5-47.5175.9-67.5166.1000110.3L798 I799 N804 Q805 V806L798-I802 HydrophobicContact CG-CD1 4.08Å; L798-I802 WeakPolarHBondContact O-CG1 3.5Å; L798-I802 PolarHBondContact O-N 3.19Å; I799-I802 PolarHBondContact O-N 3.05Å; I802-N804 VanDerWaalsContact C-N 3.31Å; I802-N804 PolarHBondContact O-N 3.27Å; I802-Q805 PolarHBondContact O-N 3.41Å; I802-V806 HydrophobicContact CG2-CG2 4.47Å; I802-V806 WeakPolarHBondContact O-CG2 3.33Å; I802-V806 PolarHBondContact O-N 3.26Å
803E76.6Confident65.1Low74 Ų74103.5 Ų103.535%0.34654%0.535SS..Hα-helixtrans-55.2-45.7172.7-81.1-174.5-145.500112.1I799 Q800 Q805 V806 K807I799-E803 PolarHBondContact O-N 3.22Å; Q800-E803 PolarHBondContact NE2-OE2 2.7Å; E803-Q805 VanDerWaalsContact C-N 3.33Å; E803-V806 PolarHBondContact O-N 2.9Å; E803-K807 VanDerWaalsContact O-CB 3.29Å; E803-K807 WeakPolarHBondContact O-CB 3.4Å; E803-K807 WeakPolarHBondContact O-CD 3.47Å; E803-K807 WeakPolarHBondContact O-CG 3.41Å; E803-K807 PolarHBondContact O-N 3.46Å; E803-K807 IonicContact OE2-NZ 3.17Å; E803-K807 PolarHBondContact OE2-NZ 2.82Å
804N74.1Confident64.7Low88 Ų88108.5 Ų108.547%0.47154%0.542SS..Hα-helixtrans-70.9-31-177.8-70-0.5000111.6Q800 S801 I802 A808Q800-N804 PolarHBondContact NE2-OD1 3.5Å; Q800-N804 WeakPolarHBondContact O-CB 3.36Å; Q800-N804 PolarHBondContact O-N 3.05Å; Q800-N804 PolarHBondContact O-ND2 3.33Å; Q800-N804 PolarHBondContact O-OD1 2.84Å; S801-N804 PolarHBondContact O-N 2.72Å; I802-N804 VanDerWaalsContact C-N 3.31Å; I802-N804 PolarHBondContact O-N 3.27Å; N804-A808 WeakPolarHBondContact O-CB 3.26Å; N804-A808 PolarHBondContact O-N 2.88Å
805Q72.7Confident63.1Low125 Ų125108.2 Ų108.258%0.58454%0.544SS*.Hα-helixtrans-69.9-41.2170-73.217829.700111.9S801 I802 E803 A808 V809S801-Q805 WeakPolarHBondContact O-CB 3.19Å; S801-Q805 VanDerWaalsContact O-CG 3.31Å; S801-Q805 WeakPolarHBondContact O-CG 3.48Å; S801-Q805 PolarHBondContact O-N 3.04Å; I802-Q805 PolarHBondContact O-N 3.41Å; E803-Q805 VanDerWaalsContact C-N 3.33Å; Q805-A808 PolarHBondContact O-N 2.89Å; Q805-V809 WeakPolarHBondContact O-CB 3.4Å; Q805-V809 VanDerWaalsContact O-CG2 3.31Å; Q805-V809 WeakPolarHBondContact O-CG2 3.45Å; Q805-V809 PolarHBondContact O-N 3.48Å
806V74.9Confident61.9Low75 Ų75108.2 Ų108.246%0.45555%0.545SS..Hα-helixtrans-62.6-47.1174.1169.80000110.8I802 E803 A808 V809 Q810I802-V806 HydrophobicContact CG2-CG2 4.47Å; I802-V806 WeakPolarHBondContact O-CG2 3.33Å; I802-V806 PolarHBondContact O-N 3.26Å; E803-V806 PolarHBondContact O-N 2.9Å; V806-A808 PolarHBondContact O-N 3.28Å; V806-V809 PolarHBondContact O-N 2.93Å; V806-Q810 HydrophobicContact CG1-CG 4.48Å; V806-Q810 WeakPolarHBondContact O-CB 3.4Å; V806-Q810 VanDerWaalsContact O-CG 3.27Å; V806-Q810 WeakPolarHBondContact O-CG 3.41Å; V806-Q810 PolarHBondContact O-N 2.88Å
807K76.4Confident60.4Low98 Ų98103.3 Ų103.343%0.42654%0.539SS..Hα-helixtrans-61.4-40.8175-71.9161.2179.81660111.5E803 Q810 H811E803-K807 VanDerWaalsContact O-CB 3.29Å; E803-K807 WeakPolarHBondContact O-CB 3.4Å; E803-K807 WeakPolarHBondContact O-CD 3.47Å; E803-K807 WeakPolarHBondContact O-CG 3.41Å; E803-K807 PolarHBondContact O-N 3.46Å; E803-K807 IonicContact OE2-NZ 3.17Å; E803-K807 PolarHBondContact OE2-NZ 2.82Å; K807-Q810 PolarHBondContact O-N 3.31Å; K807-H811 WeakPolarHBondContact O-CB 3.49Å; K807-H811 PolarHBondContact O-CD2 3.42Å; K807-H811 PolarHBondContact O-N 2.95Å
808A61.2Low58.7Low57 Ų57106.5 Ų106.547%0.47156%0.561SS.*Hα-helixtrans-65.4-45.6175.300000112.4N804 Q805 V806 Q810 H811 Q812N804-A808 WeakPolarHBondContact O-CB 3.26Å; N804-A808 PolarHBondContact O-N 2.88Å; Q805-A808 PolarHBondContact O-N 2.89Å; V806-A808 PolarHBondContact O-N 3.28Å; A808-Q810 VanDerWaalsContact C-N 3.34Å; A808-Q810 PolarHBondContact O-N 3.4Å; A808-H811 PolarHBondContact O-N 2.95Å; A808-Q812 WeakPolarHBondContact O-CB 3.48Å; A808-Q812 PolarHBondContact O-N 3.4Å
809V63.6Low56.9Low92 Ų92106.8 Ų106.856%0.55858%0.577SS**Hα-helixtrans-63.9-39175.8169.10000111.1Q805 V806 Q812 K813Q805-V809 WeakPolarHBondContact O-CB 3.4Å; Q805-V809 VanDerWaalsContact O-CG2 3.31Å; Q805-V809 WeakPolarHBondContact O-CG2 3.45Å; Q805-V809 PolarHBondContact O-N 3.48Å; V806-V809 PolarHBondContact O-N 2.93Å; V809-Q812 PolarHBondContact O-N 2.91Å; V809-K813 WeakPolarHBondContact O-CB 3.4Å; V809-K813 PolarHBondContact O-N 3.5Å
810Q58.6Low54.8Low118 Ų118108 Ų10855%0.55159%0.593SS**Hα-helixtrans-65.1-41.5174.1-75.6170.4-30.800112.1V806 K807 A808 K813 R814V806-Q810 HydrophobicContact CG1-CG 4.48Å; V806-Q810 WeakPolarHBondContact O-CB 3.4Å; V806-Q810 VanDerWaalsContact O-CG 3.27Å; V806-Q810 WeakPolarHBondContact O-CG 3.41Å; V806-Q810 PolarHBondContact O-N 2.88Å; K807-Q810 PolarHBondContact O-N 3.31Å; A808-Q810 VanDerWaalsContact C-N 3.34Å; A808-Q810 PolarHBondContact O-N 3.4Å; Q810-K813 CarbonylContact O-C 3.59Å; Q810-K813 PolarHBondContact O-N 2.97Å; Q810-R814 WeakPolarHBondContact O-CB 3.44Å; Q810-R814 PolarHBondContact O-N 3.46Å; Q810-R814 VanDerWaalsContact O-N 3.11Å
811H49.8Very low52.9Low120 Ų120110.7 Ų110.756%0.55662%0.615SS**Hα-helixtrans-66.1-42173.2-93.4-89.8000112.5K807 A808 K813 R814 S815K807-H811 WeakPolarHBondContact O-CB 3.49Å; K807-H811 PolarHBondContact O-CD2 3.42Å; K807-H811 PolarHBondContact O-N 2.95Å; A808-H811 PolarHBondContact O-N 2.95Å; H811-K813 PolarHBondContact O-N 2.67Å; H811-R814 CarbonylContact O-C 3.5Å; H811-R814 WeakPolarHBondContact O-CA 3.41Å; H811-R814 PolarHBondContact O-N 3.03Å; H811-S815 PolarHBondContact O-N 2.97Å; H811-S815 PolarHBondContact O-OG 3.37Å
812Q48.5Very low51Low154 Ų154111.6 Ų111.672%0.7263%0.633SS**Hα-helixtrans-64-25.5176.1-157168.324.900112.1A808 V809A808-Q812 WeakPolarHBondContact O-CB 3.48Å; A808-Q812 PolarHBondContact O-N 3.4Å; V809-Q812 PolarHBondContact O-N 2.91Å
813K43.7Very low48.9Very low175 Ų175114.6 Ų114.676%0.76165%0.65SS**THydrogen-bonded Turntrans-85.1-5.8170.5-143.4175.2-171.7-1790114.3V809 Q810 H811V809-K813 WeakPolarHBondContact O-CB 3.4Å; V809-K813 PolarHBondContact O-N 3.5Å; Q810-K813 CarbonylContact O-C 3.59Å; Q810-K813 PolarHBondContact O-N 2.97Å; H811-K813 PolarHBondContact O-N 2.67Å
814R35.7Very low47Very low198 Ų198116.4 Ų116.475%0.74767%0.671SS**THydrogen-bonded Turntrans-111.4-4.9179.9-154.8174.1-170.1-175.73.4113.3Q810 H811Q810-R814 WeakPolarHBondContact O-CB 3.44Å; Q810-R814 PolarHBondContact O-N 3.46Å; Q810-R814 VanDerWaalsContact O-N 3.11Å; H811-R814 CarbonylContact O-C 3.5Å; H811-R814 WeakPolarHBondContact O-CA 3.41Å; H811-R814 PolarHBondContact O-N 3.03Å
815S33.4Very low45Very low98 Ų98123.5 Ų123.569%0.68569%0.691SS**SBendtrans-97.814.7176.9-62.60000114.4H811H811-S815 PolarHBondContact O-N 2.97Å; H811-S815 PolarHBondContact O-OG 3.37Å
816T33.5Very low43.3Very low111 Ų111122.5 Ų122.568%0.68170%0.695SS**SBendtrans-129.230.1-173.651.40000114.3
817T27.7Very low41.1Very low114 Ų114125.7 Ų125.770%0.69971%0.714SS**  trans-140.472.4-17855.40000114.3
818S29.7Very low39Very low127 Ų127132.2 Ų132.289%0.88874%0.737SS**  trans-160.854.5165.765.60000115.1
819A32.5Very low37.3Very low101 Ų101137 Ų13784%0.83575%0.753SS**SBendtrans-154.6100.3166.100000113.5
820S32.9Very low35.7Very low111 Ų111143.3 Ų143.378%0.77677%0.769SS**  trans33.5104.9154.7-166.90000121.9
821V33.7Very low34.3Very low143 Ų143143.5 Ų143.587%0.86778%0.778SS**  34.7122.8124.5-173.80000119.7
822G33.1Very low33.3Very low72 Ų72144.8 Ų144.874%0.74279%0.789SS**  trans173.752.6167.900000120.5
823N34.3Very low32.6Very low156 Ų156142.9 Ų142.983%0.83479%0.788SS**  trans30.9140.3160.8-77.9-3.9000124.7
824S35.9Very low32Very low111 Ų111141.2 Ų141.278%0.77679%0.787SS**  trans81.6100.3148.2-64.20000122.5
825R32.7Very low31.9Very low237 Ų237137.9 Ų137.989%0.89479%0.785SS**  41.1145.5114.5-103.6-170.3-179.3-161.41.2121.2
826P37.3Very low31.9Very low105 Ų105139.5 Ų139.568%0.68279%0.786SS**  -137.7159.7-64.539.2-22.8000115.1
827V28.6Very low31.8Very low141 Ų141140 Ų14086%0.85578%0.784SS**  trans34.8111.2145.6-174.50000119.8
828R32.3Very low32.1Very low236 Ų236141.1 Ų141.189%0.89179%0.786SS**  -160.5151.1106.3-152.2164.3-173.61561.6111.9
829L25.7Very low32.2Very low156 Ų156139.7 Ų139.782%0.81778%0.776SS**  trans-83.8141.8175.8-66164000111.3
830Y30.4Very low32.3Very low225 Ų225141 Ų14188%0.88277%0.768SS**  trans-152.1144.3138.8-101.2-66.5000110.7
831T29.3Very low32.3Very low123 Ų123142.4 Ų142.476%0.75577%0.768SS**  trans-102.2123.2-179.948.40000111
832N28.6Very low32.1Very low146 Ų146138.8 Ų138.878%0.78176%0.759SS**  -163.5139.4128.4-119.5-2.4000115.6
833T33.7Very low32.3Very low114 Ų114144.3 Ų144.370%0.69976%0.763SS**  trans10.1103.2149.656.60000120.6
834N31.9Very low32.3Very low140 Ų140143.3 Ų143.375%0.74976%0.757SS**  31.2127.3127.6-71.917.8000122.6
835N32.6Very low32.2Very low129 Ų129144.4 Ų144.469%0.6976%0.755SS**  trans82.3110.5134.1-60.97.7000120.9
836N33Very low32.2Very low132 Ų132143.5 Ų143.571%0.70675%0.751SS**  59.4140.8124.9-70.248.6000120.5
837D32.6Very low32.1Very low120 Ų120146.6 Ų146.664%0.64276%0.756SS**  cis-156.9156.317.9-121.6-33.1000115.4
838N32.7Very low32.1Very low138 Ų138147 Ų14774%0.73875%0.754SS**  trans67.6135.3147.4-75.9-52000126
839S32.4Very low32.2Very low97 Ų97143.4 Ų143.468%0.67875%0.751SS**  trans81.6125.9145.7-130.20000118.6
840N34.3Very low32.5Very low128 Ų128140.7 Ų140.768%0.68475%0.745SS**  cis-159.4156.432.4-126-39000113
841N32.8Very low32.6Very low142 Ų142135.2 Ų135.276%0.75974%0.739SS**  trans26.8136157.2-57.9-45.4000122.6
842G31.2Very low32.5Very low67 Ų67135 Ų13569%0.69174%0.742SS**  cis142.9161.6-8.400000115.1
843K35.8Very low32.6Very low188 Ų188135.7 Ų135.782%0.81775%0.745SS**  trans74.5140.5164.8-64.3173.3-175.8172.40116.5
844N34.6Very low32.5Very low134 Ų134135 Ų13572%0.71774%0.744SS**  cis-152154.16.7-92.3-29.4000113
845N33.9Very low32.4Very low135 Ų135135.5 Ų135.572%0.72275%0.746SS**  trans53.6135.1154.2-71.1-20.3000121.3
846R31.8Very low32.3Very low218 Ų218137.5 Ų137.582%0.82375%0.753SS**  72.8130.951-74.7-177.7166.1-173.4-3.5112.7
847Q36.5Very low32.2Very low169 Ų169136.7 Ų136.779%0.7976%0.758SS**  cis-141.7176.417.7-64-174.3-12.400114.7
848N28Very low32.6Very low149 Ų149136 Ų13680%0.79776%0.76SS**  trans-24.2166.2155.6-62-11.9000117.2
849I33.9Very low32.4Very low161 Ų161136.1 Ų136.183%0.82677%0.766SS**  -15115350.7-64163.9000114.1
850S32.4Very low32.3Very low100 Ų100135.3 Ų135.370%0.69977%0.773SS**  trans-41161.6165.3-164.50000115.4
851S33.4Very low32.2Very low109 Ų109140.1 Ų140.176%0.76278%0.783SS**  cis-161.8-177.445.2-62.20000114
852C26.9Very low32.4Very low119 Ų119139.5 Ų139.580%0.80479%0.787SS**  trans-123.2169.2-167.1-58.50000115.6
853L30.1Very low32.5Very low161 Ų161139.3 Ų139.384%0.84379%0.785SS**  trans93.2126.4153.6-68.6164.7000121.4
854S32.4Very low32.3Very low99 Ų99140.1 Ų140.169%0.69279%0.788SS**  trans71.3148.6141.5-670000120.4
855L29.5Very low32Very low150 Ų150139.5 Ų139.579%0.78579%0.794SS**  cis-165.5166.1-21.7-119.1174.3000109.4
856M30.3Very low32Very low172 Ų172139.2 Ų139.285%0.84780%0.798SS**  trans73.5156.4165.3-66.4172.467.500119.5
857S31.2Very low32Very low115 Ų115132.9 Ų132.980%0.80479%0.792SS**  trans-102.9-169.8-172.6-43.50000110.2
858P41.1Very low32.3Very low104 Ų104130 Ų13068%0.67579%0.788SS**  cis-145.7-168.61044.4-23.2000117.5
859T28.2Very low32.5Very low141 Ų141130 Ų13087%0.86579%0.786SS**  trans62.8128.7157.350.30000121.1
860G30.3Very low32.4Very low80 Ų80126.8 Ų126.883%0.82578%0.778SS**  trans144.4101.9157.100000116.9
861Y31Very low32.4Very low230 Ų230128.2 Ų128.290%0.90278%0.778SS**  trans-82.4150.8153.4-89.5-92.4000108.4
862P38.9Very low32.6Very low129 Ų129129 Ų12984%0.83877%0.773SS**  cis-136-170.347.936.6-16.1000113.7
863G31.5Very low32.9Very low63 Ų63130.6 Ų130.665%0.64977%0.774SS**  cis152.1128.1-14.300000114.8
864K32.2Very low33Very low205 Ų205125.9 Ų125.989%0.89176%0.764SS**  trans76134.1167-61.2-177.6176179.30120.9
865S28.4Very low33.1Very low120 Ų120129 Ų12984%0.83977%0.773SS**  trans68.3150.5152.9-91.40000118.9
866T34.9Very low33.3Very low129 Ų129124.9 Ų124.979%0.79177%0.767SS**  cis-132161.57.6530000113.7
867A31.9Very low33.5Very low85 Ų85123.5 Ų123.570%0.70276%0.763SS**  trans-85.6-161.3158.800000109.7
868P41.9Very low33.8Very low108 Ų108123.4 Ų123.470%0.70175%0.754SS**  cis-143.7-1622.732-4.5000115.8
869I31.8Very low33.4Very low150 Ų150124.5 Ų124.577%0.76975%0.754SS**  trans71.9111.7162.3-49.3179.4000114.9
870S32.1Very low33.8Very low94 Ų94124.1 Ų124.166%0.65775%0.752SS**  cis86.5113.744.4-171.50000115.2
871N33.3Very low33.9Very low130 Ų130123.9 Ų123.970%0.69575%0.749SS**  174143.1122.2-90.60.1000114.2
872N36.1Very low34Very low124 Ų124120.5 Ų120.566%0.66375%0.747SS**  32.7146.1128-55.4-0.3000120.1
873N34Very low33.6Very low153 Ų153119.2 Ų119.282%0.81874%0.741SS**  cis-161.8169.2-2.6-96.5-13.9000105.9
874G32.8Very low33.8Very low62 Ų62122.8 Ų122.864%0.63975%0.75SS**  cis168-167.34.100000109.4
875N33.2Very low33.8Very low164 Ų164117.8 Ų117.888%0.87774%0.741SS**  trans24.9138.4159.9-56.24.1000121.4
876G34.2Very low34.1Very low64 Ų64118.4 Ų118.466%0.6674%0.735SS**  cis145.8-178.11.200000112.5
877N35.1Very low34.1Very low143 Ų143119.5 Ų119.577%0.76573%0.731SS**  trans72.6150.6158.8-60.319.8000116.6
878N35.9Very low34.1Very low113 Ų113123.3 Ų123.360%0.60473%0.734SS**  cis-161.1165.2-1.7-123.533.2000112.9
879D33.3Very low33.5Very low127 Ų127125.6 Ų125.668%0.67974%0.739SS**  trans64.9152146.6-59.5-27.3000121.1
880T36.2Very low33.3Very low133 Ų133125.4 Ų125.482%0.81674%0.74SS**  cis-153.8139.36.2-90000114.5
881G33.8Very low33.1Very low75 Ų75126.2 Ų126.277%0.77375%0.746SS**  trans70.9161137.100000122.4
882N33.2Very low32.7Very low160 Ų160130.8 Ų130.886%0.85675%0.753SS**  cis-158163.5-22.3-157.81.9000112.1
883S30.5Very low32.2Very low102 Ų102129.6 Ų129.671%0.71375%0.751SS**  trans-75.6157.7-161.8-47.90000118.8
884T34.4Very low31.9Very low137 Ų137128.3 Ų128.384%0.8475%0.749SS**  -162.4134128.42.20000114
885S33.8Very low31.7Very low101 Ų101132.5 Ų132.571%0.70676%0.755SS**  trans17.1143.8153.157.70000121.8
886N33.4Very low31.7Very low132 Ų132129.6 Ų129.671%0.70674%0.743SS**  cis-164.4150.231.6-136.5-0.9000115.1
887H35.1Very low31.4Very low152 Ų152133.4 Ų133.470%0.70475%0.748SS**  trans52.1155.8167.9-66.4-84.9000121.2
888Q31.4Very low31.8Very low165 Ų165131.7 Ų131.777%0.77175%0.745SS**  cis-168.5133.5-38.1-172.3166.66.600109.1
889L29Very low31.7Very low156 Ų156132.9 Ų132.982%0.81776%0.756SS**  trans-157.2112.7171.1-116.5174.3000111.7
890N29.4Very low31.7Very low146 Ų146133.4 Ų133.478%0.78176%0.757SS**  172.3149.2124.6-98.1-34.4000115.8
891S27.5Very low31.4Very low112 Ų112132.4 Ų132.478%0.78376%0.756SS**  trans81.9131.4151.277.20000122.4
892R25Very low31.4Very low225 Ų225133.3 Ų133.385%0.84975%0.751SS**  trans86.2104.6142.2-106.6-163.3169.3172.9-2.4123.2
893T25.6Very low31.3Very low100 Ų100133.9 Ų133.961%0.61375%0.748SS**  78125.912442.10000124.6
894T26.2Very low31.5Very low125 Ų125135 Ų13577%0.76775%0.745SS**  trans81.5161.6134.652.10000122.3
895I30.5Very low31Very low150 Ų150135.5 Ų135.577%0.76974%0.742SS**  trans101.4121.9167.1-61.1169.3000114.7
896T32.1Very low30.8Very low103 Ų103139 Ų13963%0.63274%0.741SS**  cis-166.8140.3-10.9270000114
897N28.8Very low30.7Very low144 Ų144140.7 Ų140.777%0.7774%0.742SS**  trans61.1-179.4130.2-55.2-2000121.8
898P42.8Very low30.6Very low107 Ų107139.2 Ų139.270%0.69574%0.744SS**  -142.9163.1-67.542.6-27.1000117.5
899V34.2Very low30.7Very low138 Ų138139.8 Ų139.884%0.83674%0.744SS**  trans-154.4104.1152.8179.30000106.8
900I32.4Very low30.7Very low138 Ų138138.8 Ų138.871%0.70874%0.739SS**  87.2119.276.6-68162.1000114.8
901S30.8Very low30.7Very low113 Ų113138 Ų13879%0.7973%0.731SS**  trans64.3146.2163.1-67.10000119.8
902S33.9Very low30.8Very low94 Ų94139.3 Ų139.366%0.65772%0.724SS**  cis-165.6144.7-7.944.50000111.5
903E31.1Very low30.9Very low171 Ų171135.1 Ų135.180%0.79972%0.719SS**  trans47.7147.7139.8-59.2-169.8142.700121.9
904I33Very low31.2Very low126 Ų126135.5 Ų135.565%0.64672%0.721SS**  cis-152.9155.7-8.4-116.6164.3000108.1Y906I904-Y906 HydrophobicContact CG2-CD2 3.83Å; I904-Y906 HydrophobicContact CG2-CE2 4.43Å
905N24.8Very low31.3Very low148 Ų148136 Ų13679%0.79172%0.72SS**  trans-116.1136.3172.6-178.7-0000110.2
906Y30.4Very low31.1Very low175 Ų175136.3 Ų136.369%0.68672%0.719SS**  trans-139.297.4173.4-106.5-81.9000113.9I904I904-Y906 HydrophobicContact CG2-CD2 3.83Å; I904-Y906 HydrophobicContact CG2-CE2 4.43Å
907K31Very low31Very low167 Ų167137.6 Ų137.673%0.72672%0.723SS**  trans59.1139.9145.4-59.3-179.1-175.2176.60116.8
908V32.1Very low30.9Very low121 Ų121135.6 Ų135.673%0.73372%0.72SS**  cis-146.6129.7481650000111.8
909K34Very low30.3Very low176 Ų176137.8 Ų137.877%0.76573%0.725SS**  trans42.7127.7150.4-59173.9-176.8-179.50119.1
910N28Very low30.1Very low135 Ų135137.9 Ų137.972%0.72272%0.719SS**  68143.251.1-56.834.9000112.7
911Q29.9Very low30.1Very low129 Ų129139.2 Ų139.260%0.60372%0.722SS**  cis-159.4156.115.1-161.5105.312.300111.2
912E29.8Very low30.2Very low140 Ų140139.2 Ų139.265%0.65472%0.717SS**  trans59.5133.3147.8-83.5146.8-146.500120.5
913N27.8Very low30.2Very low137 Ų137140.4 Ų140.473%0.73373%0.726SS**  76.4148.960.3-63.2-4000112.9
914T30.5Very low30.3Very low108 Ų108136.9 Ų136.966%0.66373%0.726SS**  cis-163.6161.5-3.714.70000110.2
915D28.3Very low30.6Very low137 Ų137137.1 Ų137.173%0.73374%0.735SS**  trans48.1122143-57.8-23.6000124.3
916M28.1Very low31Very low155 Ų155133.6 Ų133.676%0.76474%0.735SS**  67.6129.3125.2-59.7-70.2-9300123.4
917N29.4Very low30.8Very low131 Ų131129 Ų12970%0.70174%0.741SS**  trans77.9104.5144.3-66.2-21.3000122.9
918S27.2Very low31.2Very low101 Ų101127 Ų12771%0.70674%0.744SS**  60114.8128.266.80000123.1
919L30.2Very low31Very low153 Ų153127 Ų12780%0.80175%0.75SS**  -169.2114.8127.3-120.461000106.6
920I28.7Very low30.8Very low140 Ų140123.4 Ų123.472%0.71875%0.747SS**  68.8139.781.7-60.9170.3000113.3
921H32.4Very low31Very low166 Ų166122.7 Ų122.777%0.76975%0.747SS**  trans88.8131.6-171.3-69.7-82.7000115.8
922T33.1Very low30.9Very low113 Ų113123.5 Ų123.569%0.69375%0.754SS**  cis-159161.6-19.6-8.80000111.2
923S33.7Very low30.7Very low120 Ų120124.8 Ų124.884%0.83977%0.765SS**  trans74.5129.5156.8-55.50000121
924A33.3Very low30.8Very low96 Ų96121.4 Ų121.479%0.79376%0.762SS**  trans-98.4-169.4165.900000109.6
925P41.1Very low30.8Very low131 Ų131122.8 Ų122.885%0.85177%0.766SS**  cis-126.8-174.3-2.342-25.1000113.5
926G31.9Very low31Very low75 Ų75122.8 Ų122.877%0.77376%0.761SS**  cis145.3108.7-1400000115.7
927G26.5Very low31Very low79 Ų79121.6 Ų121.681%0.81476%0.758SS**  trans59.8-169.4154.300000119.7
928P38.5Very low31.4Very low123 Ų123122.3 Ų122.380%0.79977%0.767SS**  cis-130.7-166.5-12.442.8-26.8000113.1
929S28.8Very low31.8Very low123 Ų123120.9 Ų120.986%0.8676%0.761SS**  trans-81.3139.6168.8-48.40000112.6
930S30.9Very low32Very low100 Ų100122.9 Ų122.970%0.69976%0.763SS**  trans-161.4148.2167.353.40000114.6
931T31.3Very low31.9Very low119 Ų119124.2 Ų124.273%0.7376%0.764SS**  trans40.7107.9132.8-49.80000118
932I26.9Very low31.8Very low146 Ų146121.9 Ų121.975%0.74975%0.752SS**  57.6101.758.6-55.7-175.7000114.6
933L27.2Very low32.5Very low167 Ų167121.6 Ų121.687%0.87475%0.752SS**  trans63.3155.6167.2-86.478.6000118.3
934G29.7Very low32.4Very low66 Ų66121.1 Ų121.168%0.6875%0.748SS**  trans116.381.2175.800000112.2
935N28.8Very low32.4Very low137 Ų137120.8 Ų120.873%0.73373%0.733SS**  44.9127.775.3-74-14.5000113.4
936Q33.5Very low32Very low138 Ų138120.8 Ų120.865%0.64573%0.726SS**  cis-165.4160.39.5-126.9171.452.700112.2
937N28.9Very low32Very low130 Ų130123 Ų12370%0.69572%0.719SS**  trans52.9129.7152.6-54.6-29.5000118.4
938V36.6Very low32Very low146 Ų146124.1 Ų124.189%0.88571%0.71SS**  -162.5148.374.7150.40000109.5
939A36.7Very low31.4Very low70 Ų70124.3 Ų124.358%0.57971%0.709SS**  cis-169.4152.6-27.700000108.9
940K33.6Very low31.5Very low195 Ų195123.9 Ų123.985%0.84871%0.706SS**  trans63.7122.7171.1-57.2178.1-178.7-179.20115.4
941K27.4Very low31.5Very low168 Ų168124.7 Ų124.773%0.7371%0.712SS**  cis68.7149.110.1-160.6-179.2172.8-173.50116.6
942F29.7Very low31.4Very low118 Ų118122.1 Ų122.152%0.51871%0.709SS.*  trans87.9159.2168.4-57.2-76.2000115.7
943P47Very low31.5Very low106 Ų106122.1 Ų122.169%0.68871%0.711SS**  cis-111.6-178.3-1.814.210.7000112.9D945P943-D945 WeakPolarHBondContact CB-OD2 3.43Å
944S31.8Very low31.7Very low110 Ų110120.1 Ų120.177%0.76970%0.7SS**SBendcis-97147.25.1-62.60000112.7
945D34Very low31.7Very low89 Ų89122.7 Ų122.748%0.47670%0.699SS.*  cis81.9125.637.2-54.2-14.2000111.7P943P943-D945 WeakPolarHBondContact CB-OD2 3.43Å
946N32.8Very low31.9Very low132 Ų132122 Ų12271%0.70669%0.691SS**  cis-133.1145.5-0.6-84.5-50.3000108.8
947I32.1Very low31.9Very low120 Ų120124.9 Ų124.962%0.61570%0.696SS**  65.5135.854.8-60.7175.7000112.2
948T26.7Very low32Very low104 Ų104125.6 Ų125.664%0.63870%0.7SS**  cis-173.4140.9-28-79.70000104.5
949T24.8Very low31.9Very low126 Ų126124.1 Ų124.177%0.77369%0.691SS**  trans42.8126.9167.857.60000120.3
950S30.9Very low31.8Very low114 Ų114129.3 Ų129.380%0.79770%0.7SS**  -174164.5112.441.40000112.8
951S32Very low31.9Very low118 Ų118126 Ų12683%0.82570%0.696SS**  trans6111.5157-53.40000119.4
952G28.7Very low32.6Very low64 Ų64123 Ų12366%0.6669%0.694SS**  63.8140.7106.400000120.9
953N27.7Very low32.8Very low147 Ų147125.6 Ų125.679%0.78671%0.713SS**  34.3115.6127.7-62.45.7000116.2
954N31.5Very low32.2Very low124 Ų124123.4 Ų123.466%0.66371%0.709SS**  cis176.7161.849.8-113.3-19.1000111.5
955N31.3Very low32.4Very low121 Ų121125.2 Ų125.265%0.64772%0.716SS**  trans69.2143.6148.9-68.1-33.1000118.1
956Q31.9Very low32.4Very low121 Ų121126.1 Ų126.157%0.56573%0.729SS**  cis-164162.11.4-129.5166.347.400115.1
957R33.3Very low32.4Very low199 Ų199125.4 Ų125.475%0.75173%0.73SS**  trans87.3124.2150.3-69.4160.1-152.7-170.27.5121
958N32.2Very low32.4Very low146 Ų146126.4 Ų126.478%0.78174%0.735SS**  trans78.5135.7142.6-60.8-5000118.8
959V34.5Very low32.6Very low114 Ų114128.6 Ų128.669%0.69174%0.74SS**  cis-157.6142.1-0.1113.40000113.7
960K33.4Very low33Very low179 Ų179129.8 Ų129.878%0.77874%0.741SS**  trans45.8113.6158.1-61174.8179.7-178.60121.7
961T36.1Very low32.8Very low125 Ų125129.3 Ų129.377%0.76774%0.738SS**  64.5151.76267.20000117.3
962P42.5Very low32.7Very low106 Ų106130.2 Ų130.269%0.68874%0.739SS**  cis-145.7-169.4-11.334-9.4000118.1
963L34Very low32.9Very low173 Ų173130.8 Ų130.891%0.90675%0.745SS**  trans79.7145.9159.6-64.3151.7000119.7
964G34.6Very low33Very low59 Ų59130.3 Ų130.361%0.60875%0.747SS**  cis168.6140-13.900000116.4
965T35.4Very low33Very low149 Ų149130.3 Ų130.391%0.91475%0.752SS**  trans63.4145.7171.356.90000118.2
966S34Very low33Very low107 Ų107129.9 Ų129.975%0.74875%0.753SS**  cis-176.9177.6-6.647.10000107.4
967T32.8Very low32.8Very low117 Ų117132.6 Ų132.672%0.71876%0.764SS**  cis-169.1127.7-21.6-94.20000105.9
968I31.3Very low32.7Very low141 Ų141128.8 Ų128.872%0.72376%0.758SS**  71.1130.270.7-79.3174.6000113.6
969M32Very low32.6Very low151 Ų151127.9 Ų127.974%0.74475%0.753SS**  cis-157.5148.27.6-132.8-168.8-59.700115.3
970N32.6Very low32.4Very low151 Ų151130.3 Ų130.381%0.80776%0.755SS**  trans13.8151.6142.1-53.52.1000124.6
971S27.5Very low32.2Very low104 Ų104128 Ų12873%0.72775%0.751SS**  trans-97.1-170.6153.558.40000110.9
972T30.1Very low32Very low137 Ų137129.8 Ų129.884%0.8475%0.751SS**  cis-160.6160.716.7-28.90000109.9
973G32.2Very low31.4Very low76 Ų76133 Ų13378%0.78475%0.754SS**  trans171.2131.6166.100000116.1
974T29.4Very low31.4Very low136 Ų136130.8 Ų130.883%0.83475%0.748SS**  trans-99.2151-178.6-100000111.3
975T31.9Very low31.3Very low124 Ų124136.5 Ų136.576%0.76176%0.756SS**  -178137.485.8-66.30000111.9
976V31.5Very low31Very low112 Ų112136.6 Ų136.668%0.67975%0.75SS**  trans5.2128.4149.3173.30000116.1
977F27.2Very low31Very low179 Ų179138.4 Ų138.479%0.78575%0.751SS**  cis-161.4-166.19.1-113.7171.5000107.4
978N31.6Very low30.8Very low118 Ų118138 Ų13863%0.63175%0.752SS**  cis-166.6173.29.4-127.1-25000106.9
979N30.9Very low30.6Very low128 Ų128141.4 Ų141.468%0.68476%0.762SS**  cis-164.1-177.6-10.2-155.1-24.9000108.9
980F29.4Very low30.3Very low164 Ų164141.7 Ų141.772%0.71977%0.767SS**  trans73.986.5155.9-113.3-100.4000121.2
981N28.9Very low30.2Very low132 Ų132140.4 Ų140.471%0.70676%0.764SS**  trans66.5148.9144.4-60.4-18.7000118.8
982Q32.9Very low30.2Very low162 Ų162144 Ų14476%0.75777%0.774SS**  cis-154.2133.529-161.9168.71.200115.2
983F29.9Very low30.1Very low172 Ų172145.3 Ų145.375%0.75478%0.775SS**  trans75.3121.8147.9-90.7-131.3000124.4
984T33.4Very low30Very low127 Ų127151.7 Ų151.778%0.77978%0.775SS**  trans64.3142.314355.90000119.2
985K31.5Very low30Very low179 Ų179155 Ų15578%0.77877%0.773SS**  cis-142.714426.6-165.5-174.7-177.7-163.20110.8
986I30.2Very low29.8Very low152 Ų152156.5 Ų156.578%0.77978%0.776SS**  trans-128.4135.8173.4-66.7174.5000107.3
987D33Very low29.8Very low145 Ų145158.7 Ų158.778%0.77578%0.784SS**  trans-100.3146.9165.6-103.9-59.6000110.2
988S29.1Very low29.9Very low107 Ų107154.8 Ų154.875%0.74878%0.779SS**  trans-110.7121.1-154.3-60.40000113.5
989K28.1Very low29.7Very low213 Ų213155.2 Ų155.293%0.92679%0.785SS**  trans-153.347164.2-125.4-179.6-172.2-173.80113.7
990D26.2Very low29.7Very low158 Ų158154.5 Ų154.585%0.84579%0.789SS**  trans-156.1167.1164.3-130.3-33.9000112.7
991V29.1Very low29.5Very low124 Ų124149.2 Ų149.275%0.75278%0.78SS**  trans65.590.1-179.8-168.10000115.9
992L28.5Very low29.5Very low180 Ų180146 Ų14694%0.94277%0.769SS**  trans-133.234.6149.7-112.2-178.2000113.8
993L27.5Very low29.3Very low163 Ų163144.5 Ų144.585%0.85377%0.771SS**  trans-106.376.1-179.1-121.8126.8000112.8
994R30.1Very low29.2Very low210 Ų210144.3 Ų144.379%0.79278%0.776SS**SBendtrans173.1138.7135-98.4170.7177.1-151.8-5.6114.6
995R30Very low28.8Very low207 Ų207147.6 Ų147.678%0.78178%0.779SS**  trans62.7105.1159.9-66.5-179.3171.3125.5-0.9117.9
996N27.7Very low28.5Very low155 Ų155146 Ų14683%0.82978%0.784SS**  -166.1106.4102.8-92.9-30000113.1
997N31.6Very low28.5Very low158 Ų158142.2 Ų142.285%0.84578%0.784SS**  trans-167130.4146.7-90.5-27.4000105.4
998S29.6Very low28.3Very low96 Ų96141.8 Ų141.867%0.67178%0.781SS**  67.579.860.3-164.70000110.4
999V27Very low28.3Very low128 Ų128144.1 Ų144.178%0.77679%0.785SS**  79.813477.9172.20000112.1
1000C29.5Very low28.4Very low113 Ų113138.4 Ų138.476%0.76477%0.772SS**  trans71133.2-165.8-62.90000114.8
1001G25.2Very low28.7Very low52 Ų52137.8 Ų137.854%0.53677%0.768SS.*  cis145.794.6-11.600000114.8Q418Q418-G1001 PolarHBondContact NE2-O 2.66Å
1002S30.6Very low28.8Very low66 Ų66137.3 Ų137.346%0.46276%0.762SS.*  trans-179.8100.1158.1-81.30000106.8K421K421-S1002 PolarHBondContact NZ-OG 3.28Å
1003T27.4Very low29.1Very low130 Ų130135.4 Ų135.480%0.79875%0.748SS**  67.88560.3-45.20000112.8
1004I27.5Very low29.3Very low168 Ų168133 Ų13386%0.86274%0.735SS**  trans-121.1144.6148.1-70.2-175000108.6
1005K26Very low29.4Very low195 Ų195128.9 Ų128.985%0.84873%0.729SS**  trans-50.5134.9-173.5-54.5160.5179.81750114.6
1006T25.9Very low29.5Very low145 Ų145126 Ų12689%0.8973%0.729SS**  -132.4144.512851.10000108.5
1007G28.4Very low29.6Very low74 Ų74123.3 Ų123.376%0.76372%0.722SS**  trans-167.645.5-164.700000113.9
1008L30.5Very low29.5Very low136 Ų136123.5 Ų123.571%0.71272%0.722SS**  trans-139.8114.9163.6-76.8177.3000108.1
1009N27.7Very low29.4Very low156 Ų156125.8 Ų125.883%0.83473%0.726SS**  trans-148152.9150.8-1536.3000112
1010S31.7Very low29.4Very low93 Ų93125.8 Ų125.865%0.6573%0.726SS**  trans-79.2172179.9-47.30000112.3
1011N30.5Very low29.4Very low145 Ų145126.2 Ų126.278%0.77573%0.73SS**  trans-176.8151.1149.9-95.1-29.6000110.1
1012N33Very low29.6Very low114 Ų114131.3 Ų131.361%0.6175%0.745SS**  cis-171.8-175.5-23.3-150.9-38.4000109.5
1013H33.2Very low29.4Very low140 Ų140134.5 Ų134.565%0.64876%0.762SS**  trans83.1143.3150.6-61.9-28.2000119.4
1014N33.4Very low29.5Very low112 Ų112135.4 Ų135.460%0.59976%0.76SS**  cis-168.4160.6-7.3-114.2-3.2000116.7
1015N31.4Very low29.5Very low123 Ų123135.6 Ų135.666%0.65876%0.758SS**  trans86140139.2-70.2-5.2000125.8
1016N31.3Very low29.7Very low148 Ų148132 Ų13279%0.79176%0.757SS**  trans79.7147.2150.6-64.6-9.1000121
1017S30Very low30Very low97 Ų97130.6 Ų130.668%0.67875%0.753SS**  cis-172.2144.9-22.1-169.10000114.1
1018L30.8Very low29.9Very low162 Ų162134.7 Ų134.785%0.84876%0.757SS**  trans68.3178.1154.6-108.371.4000123.2
1019I26.1Very low29.9Very low144 Ų144134 Ų13474%0.73876%0.764SS**  trans-144.9158.9-144.1-74171.4000113.4
1020T27Very low29.8Very low129 Ų129132.8 Ų132.879%0.79176%0.762SS**  trans69122.8163.839.70000122.3
1021S30.7Very low30.4Very low121 Ų121133.5 Ų133.585%0.84677%0.765SS**  -173.4159.8116.6-77.90000111.7
1022N28.7Very low30.3Very low159 Ų159131.8 Ų131.885%0.8576%0.764SS**  trans-120179.7-171.1-90.1-6.5000113.7
1023V27.3Very low30.2Very low133 Ų133132.6 Ų132.681%0.80677%0.773SS**  trans109.1151.1149-1680000117.4
1024I29.4Very low30Very low149 Ų149132.4 Ų132.476%0.76478%0.781SS**  trans102.671.9170.7-46.8-177.4000117.4
1025E26.6Very low29.7Very low173 Ų173135 Ų13581%0.80879%0.79SS**  41.9150.5116.7-60.2-170.8129.700125.5
1026S29.8Very low29.5Very low120 Ų120133.6 Ų133.684%0.83979%0.786SS**  trans84.2143.6155.882.40000117.7
1027S32.8Very low29.3Very low114 Ų114136 Ų13680%0.79779%0.79SS**  cis-147.2165.110.3480000113.9
1028N26.4Very low29.2Very low160 Ų160140.2 Ų140.286%0.85680%0.796SS**  trans-90.7158.2178.5-61.9-50000112.8
1029S29.4Very low29.2Very low121 Ų121137.2 Ų137.285%0.84679%0.794SS**  172.5166.1120.145.20000114.6
1030T26.6Very low29.3Very low132 Ų132136.5 Ų136.581%0.8179%0.792SS**  trans-131.5-143.9-173.356.60000109.3
1031P43.6Very low29.4Very low107 Ų107137.7 Ų137.770%0.69579%0.793SS**  -121.8-174.4-63.935.2-19000113.1
1032S29.9Very low29.4Very low110 Ų110139.6 Ų139.677%0.76979%0.792SS**  trans-170.5123.2142.9-87.20000111.5
1033V29.4Very low29.5Very low131 Ų131137.7 Ų137.779%0.79479%0.786SS**  77.8120.180.3172.80000111.6
1034V29Very low29.6Very low136 Ų136136.3 Ų136.382%0.82478%0.778SS**  -152.6151.884160.40000112.5
1035Q26.8Very low29.7Very low166 Ų166136.6 Ų136.678%0.77678%0.781SS**  trans-95.8-175.1176-54.4167.2-77.400111
1036T27.2Very low29.8Very low93 Ų93136.6 Ų136.657%0.57178%0.781SS**  cis178.4163.940.7-17.70000112.7
1037F28.7Very low30.2Very low199 Ų199136 Ų13687%0.87378%0.775SS**  trans79.3167.5151.4-64.2-48000122.8
1038K26.4Very low29.9Very low186 Ų186136 Ų13681%0.80977%0.769SS**  trans-124.7167.2-156.3-49174.8170.5-167.90113.6
1039A31.2Very low30.1Very low98 Ų98135.6 Ų135.681%0.8177%0.766SS**  trans-163.8163.5135.900000110.9
1040D27.7Very low30.1Very low129 Ų129135.7 Ų135.769%0.6976%0.761SS**  trans-126.9169.6-169-56.3-81.1000113.7
1041D29.2Very low30.3Very low155 Ų155133.7 Ų133.783%0.82976%0.759SS**  trans78.3157.7154.6-67.8-37.1000124.7
1042I30.9Very low29.4Very low160 Ų160136.5 Ų136.582%0.82177%0.768SS**  trans82.8132.6160.6-50.4-168.9000118.7
1043V30.7Very low29.4Very low119 Ų119135.6 Ų135.672%0.72177%0.767SS**  cis-169.2148.1-34.1109.40000111.6
1044T30.9Very low29.2Very low105 Ų105134.3 Ų134.364%0.64476%0.763SS**  trans23.5132.4163.967.60000123.3
1045N31.3Very low29.2Very low154 Ų154137.9 Ų137.982%0.82476%0.764SS**  171.5147.8100.6-89.1-51.3000115.5
1046H27.3Very low29.1Very low173 Ų173136.1 Ų136.180%0.80176%0.76SS**  trans-94.4176.5165.3-110.8-58.3000109.6
1047P38.9Very low29.1Very low109 Ų109137.6 Ų137.671%0.70876%0.764SS**  cis-147.1165.834.641-19.1000120.2
1048T27.3Very low29.1Very low112 Ų112132.9 Ų132.969%0.68776%0.756SS**  trans24.8136.1135.3-40.40000122.9
1049I30.2Very low29.2Very low152 Ų152133.2 Ų133.278%0.77976%0.757SS**  -176.7121120.5-94.2163000114.5
1050T28.6Very low29.3Very low123 Ų123133.2 Ų133.276%0.75575%0.747SS**  trans21138.915567.90000124.4
1051A30.7Very low29.4Very low91 Ų91133.6 Ų133.675%0.75275%0.749SS**  152110.6102.100000116.2
1052D24.3Very low29.5Very low166 Ų166133.6 Ų133.689%0.88875%0.748SS**  trans29.3160.2141.4-68.3-32.5000127.1
1053A30.4Very low29.6Very low91 Ų91132.1 Ų132.175%0.75274%0.741SS**  trans95.887.8147.400000121.3
1054S25.7Very low29.7Very low103 Ų103132.7 Ų132.772%0.7274%0.739SS**  47.2121.4100.7-178.60000121.3
1055Y28.8Very low29.8Very low211 Ų211137.1 Ų137.183%0.82775%0.749SS**  trans75.598.8152-89.1-109.2000121.6
1056D25.5Very low29.6Very low130 Ų130137.6 Ų137.670%0.69575%0.746SS**  87148.2109.5-149.214.9000123.2
1057N27.2Very low29.7Very low123 Ų123138.5 Ų138.566%0.65875%0.748SS**  trans72.594.5162-81.2-62.2000124.4
1058S27.2Very low29.2Very low100 Ų100140.9 Ų140.970%0.69975%0.749SS**  109.7147.2103.279.40000122.3
1059K29.9Very low29.3Very low193 Ų193140.9 Ų140.984%0.83975%0.754SS**  trans70.9147.8164-83.3178.8171.2179.70118.6
1060T32.7Very low29.4Very low99 Ų99139.7 Ų139.761%0.60776%0.756SS**  cis-147.6150.38.42.30000111.2
1061D29.1Very low29.2Very low136 Ų136139.2 Ų139.273%0.72776%0.757SS**  trans44.2137.4145.1-44.7-23.1000120
1062L32.1Very low29.1Very low155 Ų155146.9 Ų146.981%0.81277%0.767SS**  cis-154.5179.133.4-63.7160.7000108.2
1063I31.8Very low29.1Very low129 Ų129144 Ų14466%0.66276%0.76SS**  cis-162.4158.3-2.2-129170.4000110.5
1064I33.2Very low29Very low132 Ų132147.4 Ų147.468%0.67777%0.765SS**  trans30.9120.1154.3-57.9165.3000118.2
1065K32.6Very low29Very low198 Ų198150.4 Ų150.486%0.86177%0.772SS**  -164.9149.759.9-142.4153.2-166.2173.60112.8
1066H27.7Very low29Very low163 Ų163147.7 Ų147.776%0.75577%0.771SS**  trans-100.8144.8-176.8-79.6-127000115.6
1067K29.8Very low29Very low193 Ų193147.8 Ų147.884%0.83978%0.776SS**  -176.4111.3128.8-109.5-173.9170.5-172.50108.5
1068E28.2Very low29Very low159 Ų159146.9 Ų146.974%0.74378%0.78SS**  68.8100.163.1-66-171.815700115.5
1069S28.6Very low29.1Very low112 Ų112152 Ų15278%0.78379%0.789SS**  trans-74.4166.4152.2-44.40000110.2
1070P33Very low29Very low126 Ų126153.6 Ų153.682%0.81879%0.79SS**  -150.2170.594.339.1-22000116.3
1071S24.3Very low28.8Very low113 Ų113159 Ų15979%0.7980%0.799SS**  trans-67156.8-177.6-20.60000115.5
1072R28.1Very low28.7Very low253 Ų253160.7 Ų160.796%0.95580%0.801SS**  trans-160.9167.8136.7-114.3164.3-172.81644.1113.8
1073S24.4Very low28.4Very low105 Ų105158.6 Ų158.673%0.73479%0.794SS**  trans-97.9166.1-160.652.60000115.2
1074L29.3Very low28.1Very low163 Ų163157.3 Ų157.385%0.85380%0.797SS**  trans-4.8137.4150.2-56.8169.6000117.2
1075D26.4Very low27.8Very low165 Ų165157.1 Ų157.188%0.88280%0.802SS**  -156.8168.7116.8-135.2-31.6000113.2
1076L26.8Very low27.8Very low155 Ų155152.9 Ų152.981%0.81279%0.793SS**  trans-105.9177.6-178.7-144.690.8000112.5
1077V26.8Very low28Very low131 Ų131152.3 Ų152.379%0.79479%0.794SS**  trans112.7126.4160.9-1780000117
1078S27.2Very low28.7Very low104 Ų104147.8 Ų147.873%0.72778%0.784SS**  trans-78157.9-179.8-39.20000114.3
1079F29.1Very low28.7Very low207 Ų207147.3 Ų147.391%0.90879%0.787SS**  trans-149.8170.5141.5-117.3-79.4000113.7
1080R28.3Very low28.9Very low228 Ų228147 Ų14786%0.8679%0.785SS**  trans-99.9142.4-165.7-63.5177.1171.6-174.2-2.3114.4
1081R27.4Very low28.9Very low211 Ų211145.8 Ų145.880%0.79678%0.779SS**  trans33127.6135.2175.2-172.3-86.9-175.1-5.7119
1082F27.1Very low29.3Very low173 Ų173145.6 Ų145.676%0.75978%0.778SS**  -174.6126.5114.9-104.9-72000115.9
1083T26.3Very low29.4Very low110 Ų110139.4 Ų139.468%0.67576%0.764SS**  trans43.9115.7146.847.10000126
1084S24.5Very low29.8Very low103 Ų103140 Ų14072%0.7276%0.759SS**  81.6153.8113.9-55.70000124.2
1085T28.9Very low30Very low127 Ų127138.3 Ų138.378%0.77975%0.751SS**  trans104.6126152-46.60000116.6
1086T31.5Very low30.4Very low110 Ų110136.5 Ų136.568%0.67574%0.741SS**  cis-172172.1-19.632.90000111.2
1087I32.9Very low30.6Very low151 Ų151136.9 Ų136.977%0.77474%0.744SS**  trans86.7146139.2-96.3161000119.8
1088P43.5Very low30.7Very low97 Ų97134.4 Ų134.463%0.6374%0.744SS**  cis-136.2162-17.439-22000117.9
1089D28Very low30.9Very low150 Ų150138.3 Ų138.380%0.80275%0.748SS**  trans36.7144.4137.5-47-25.2000122.6
1090S33.7Very low30.8Very low106 Ų106134.5 Ų134.574%0.74174%0.736SS**  cis-163.817534.9-1170000111
1091S32Very low30.9Very low99 Ų99131.4 Ų131.469%0.69273%0.731SS**  cis-177.7172.4-30.854.80000110.2
1092S32.7Very low30.7Very low109 Ų109127.3 Ų127.376%0.76273%0.729SS**  trans72143.2174-126.30000117.1
1093N30.8Very low30.7Very low124 Ų124122.5 Ų122.566%0.66373%0.729SS**  cis-157.8146.93.5-153.6-1.8000112.8
1094N32.5Very low30.6Very low118 Ų118124.1 Ų124.163%0.63174%0.739SS**  trans58.9147.6159.7-65.9-30.2000120.3
1095N33Very low30.8Very low127 Ų127124.4 Ų124.468%0.67974%0.741SS**  cis-162.2164.7-14-115.8-22.5000113
1096N35.3Very low30.6Very low127 Ų127126.3 Ų126.368%0.67975%0.746SS**  trans75.2101.7160-59.7-23.3000121.2
1097N30.7Very low30.4Very low163 Ų163124 Ų12487%0.87274%0.744SS**  29.7133.7122.5-47.1-29.2000118.8
1098G29.8Very low30Very low78 Ų78122.9 Ų122.980%0.80475%0.745SS**  cis139.4151.123.200000107.4
1099K30.9Very low29.1Very low187 Ų187123.6 Ų123.681%0.81375%0.747SS**  174.3116.961.8174.8-174.9179.1179.70112.6
1100I27.4Very low28.9Very low127 Ų127121.8 Ų121.865%0.65175%0.746SS**  trans68.6151.8148.4-49.1170000119.6
1101H29.3Very low28.5Very low163 Ų163122 Ų12276%0.75574%0.743SS**  trans83.8151.3171-66.1-63.5000118
1102T23.5Very low28.1Very low124 Ų124124 Ų12476%0.76175%0.746SS**  170.8136.1-53.536.20000108.1
1103G28Very low27.8Very low72 Ų72123 Ų12374%0.74274%0.739SS**  trans117135.5-178.200000111.7
1104T23.3Very low27.5Very low144 Ų144121.5 Ų121.588%0.88374%0.738SS**  cis97.574.24.4-40.60000118
1105S29.6Very low27.1Very low109 Ų109122.9 Ų122.976%0.76274%0.741SS**  trans-170150.7148.149.50000107.9
1106N25.1Very low26.8Very low167 Ų167122.7 Ų122.789%0.89374%0.74SS**  cis82.7137.825.6-67.22.8000115.5
1107G26.5Very low26.3Very low62 Ų62122.1 Ų122.164%0.63974%0.737SS**  trans107.6116.1-168.100000111.9
1108T24.3Very low26.1Very low128 Ų128124.1 Ų124.179%0.78573%0.732SS**  cis61.6130.110.3610000115.3
1109T25Very low25.9Very low111 Ų111127.2 Ų127.268%0.68173%0.73SS**  cis-164.8149.73.91.80000112.6
1110S23.7Very low25.6Very low112 Ų112123.9 Ų123.978%0.78373%0.73SS**  trans60178.9154.5-89.50000117.6
1111V25.2Very low25.4Very low111 Ų111124 Ų12467%0.67373%0.726SS**  cis-144.8165.95.6-130.40000110.7
1112N24.5Very low25.3Very low141 Ų141122.4 Ų122.475%0.75472%0.722SS**  trans62.9154.4147.2-66.12000120.6
1113S24.4Very low25.3Very low89 Ų89122.8 Ų122.862%0.62272%0.715SS**  cis-149161.9-17.2-107.60000111.2
1114S24.5Very low25.1Very low92 Ų92126.5 Ų126.564%0.64371%0.713SS**  trans-72.2165.9167.1-52.40000111.8
1115E25.9Very low25.2Very low147 Ų147123.7 Ų123.769%0.68770%0.699SS**  -161.2132.4119.6-108.9-178.9-154.600113.4
1116N25.4Very low25Very low123 Ų123125 Ų12566%0.65870%0.698SS**  trans37.2130.7140.6-54.1-20.6000119.5
1117N25.3Very low25.3Very low114 Ų114125 Ų12561%0.6170%0.697SS**  -166.715559.4-121.2-49.3000115.6
1118R26.1Very low25.3Very low206 Ų206127.4 Ų127.478%0.77770%0.703SS**  trans74.2138.7143-81.4156.4-160.5162.95.8123.8
1119N27Very low25.6Very low143 Ų143126.2 Ų126.277%0.76571%0.707SS**  trans72.193149.9-6320.1000119.5
1120S23.5Very low25.5Very low116 Ų116127.1 Ų127.181%0.81171%0.712SS**  -60.2142.7128.449.80000111
1121F23.4Very low25.7Very low130 Ų130130 Ų13057%0.5772%0.717SS**  trans-129.6152.8155.5-175.7-107000108.3
1122I26Very low26Very low129 Ų129128.2 Ų128.266%0.66272%0.721SS**  trans-106.4139.1-174-64.9171.5000109.2
1123Q25.3Very low26Very low133 Ų133128.4 Ų128.462%0.62173%0.727SS**  trans-150.9132153.1-124.8159.70.700106.3
1124E22.6Very low26.4Very low149 Ų149129.2 Ų129.270%0.69674%0.739SS**  cis60.8133.248.9-64.2-174.6160.700112.6
1125S26.6Very low26.4Very low85 Ų85132.4 Ų132.459%0.59475%0.749SS**  cis-160.6172.6-9.360.30000111.1
1126D24.6Very low26.7Very low138 Ų138130.2 Ų130.274%0.73876%0.756SS**  trans67.9165.2155.7-54.6-42.3000117.3
1127I31.5Very low26.8Very low167 Ų167130.3 Ų130.386%0.85676%0.761SS**  cis-140.1150.127.4-58.3158.6000112.4
1128S25.4Very low27.2Very low111 Ų111131.7 Ų131.778%0.77677%0.773SS**  trans-73.9158.6-175.3-38.10000117.1
1129A30.7Very low27.5Very low104 Ų104128.1 Ų128.186%0.8677%0.77SS**  trans-147.4117.2157.100000113.5
1130T24.5Very low27.7Very low129 Ų129127.3 Ų127.379%0.79177%0.765SS**  trans-61.6149.2-176.4-400000116.6
1131I27.6Very low28.1Very low174 Ų174126.1 Ų126.189%0.89275%0.75SS**  167.4134.1124.7-85.8157.6000111.6
1132G30.3Very low28.4Very low73 Ų73127.5 Ų127.575%0.75376%0.763SS**  trans158.1105.5169.900000113.5
1133T25.7Very low28.6Very low145 Ų145127.5 Ų127.589%0.8976%0.763SS**  trans-127.5129.5-17450.60000112.7
1134A32.1Very low28.6Very low106 Ų106125.6 Ų125.688%0.87677%0.765SS**  trans-159.2144.3158.300000112
1135D25.2Very low29Very low159 Ų159126.6 Ų126.685%0.8577%0.773SS**  trans-65.8148.3-176.5-99.8-56.5000116.4
1136A32.2Very low29Very low101 Ų101129.4 Ų129.484%0.83578%0.782SS**  -167.7150.8125.200000110.8
1137T27.9Very low29.8Very low125 Ų125128.2 Ų128.277%0.76778%0.781SS**  trans-110.9152.4-172.250.30000114.1
1138V33.7Very low29.6Very low142 Ų142127 Ų12786%0.86178%0.782SS**  trans-167.8148.8139.2135.40000111.2
1139N31.2Very low29.9Very low132 Ų132129.3 Ų129.371%0.70678%0.78SS**  trans-69175.3-179.6-74.338.2000114.5
1140D31Very low29.7Very low125 Ų125132.3 Ų132.367%0.66878%0.782SS**  cis-153.1-171.77.1-135.4-53.4000113.9
1141N31.7Very low29.8Very low91 Ų91133.3 Ų133.349%0.48778%0.777SS.*  trans-81.3151.4-170.6-64.8-101.8000117.3K523K523-N1141 PolarHBondContact NZ-OD1 2.93Å
1142L31.4Very low30Very low160 Ų160134.3 Ų134.384%0.83878%0.778SS**  -17299.3127.7-125.767.7000110.1
1143L29.9Very low29.9Very low128 Ų128135.8 Ų135.867%0.6778%0.777SS**  76.513187.6-70.6175.9000117.1
1144S24.6Very low30Very low94 Ų94136.3 Ų136.366%0.65777%0.774SS**  trans-93.2158.7175.4-42.80000112.7
1145I30.7Very low29.8Very low169 Ų169137.2 Ų137.287%0.86777%0.769SS**  trans-130.4137.3158.1-62.1-179.7000108.9
1146N26.9Very low29.9Very low145 Ų145135.4 Ų135.478%0.77577%0.768SS**  trans-145.7166.2178.8-95.4-10.7000107.4
1147P40.9Very low29.9Very low112 Ų112136.5 Ų136.573%0.72777%0.765SS**  cis-136.6177.8-42.139.6-24.4000111.5
1148T28.8Very low29.8Very low143 Ų143135.5 Ų135.588%0.87776%0.763SS**  trans-137.5138.615746.40000110.2
1149Q29.8Very low29.6Very low159 Ų159137.3 Ų137.374%0.74376%0.76SS**  trans-79.8148.1173.4-63.3173.7-94.900110.6
1150D27.1Very low29.4Very low167 Ų167138.9 Ų138.989%0.89376%0.763SS**  trans-140.2142.1138.5-107.9-40.4000109.2
1151H27.7Very low29.2Very low149 Ų149138 Ų13869%0.6977%0.767SS**  trans-106.1112.3179.7-86.9-83.2000110
1152H32.1Very low29.1Very low195 Ų195136.2 Ų136.290%0.90376%0.761SS**  trans-142.1136.9147-87.5-64000111.4
1153S27Very low29.2Very low105 Ų105136 Ų13673%0.73476%0.759SS**  trans-80.3134.7178.750.50000111.1
1154N27.8Very low29.3Very low156 Ų156137.2 Ų137.283%0.83476%0.761SS**  trans-157.3146.6136.6-109.5-24.1000114.2
1155T28.1Very low29.7Very low125 Ų125137.8 Ų137.877%0.76775%0.753SS**  trans-41.9126.8172-53.70000113.4
1156S28.3Very low29.9Very low120 Ų120135.3 Ų135.384%0.83975%0.746SS**  trans-146.6135156.1-81.40000110
1157T31.3Very low30.3Very low124 Ų124137.6 Ų137.676%0.76174%0.744SS**  trans-74.4131.1-16946.10000112.4F1159T1157-F1159 PolarHBondContact O-N 2.93Å
1158S26.6Very low30.9Very low105 Ų105139.3 Ų139.373%0.73474%0.742SS**  trans-59.5120.7151.3175.90000109
1159F28.5Very low33Very low180 Ų180134.8 Ų134.879%0.78971%0.713SS**  trans-167.973.7147.2-91.6-56.1000109.8T1157 S1161T1157-F1159 PolarHBondContact O-N 2.93Å; F1159-S1161 VanDerWaalsContact C-N 3.25Å; F1159-S1161 PolarHBondContact O-N 2.76Å; F1159-S1161 VanDerWaalsContact O-N 3.07Å
1160H26.6Very low35.2Very low165 Ų165128 Ų12876%0.76468%0.682SS**  trans-84.661.9176.7-162.5-71.7000111.5S1162H1160-S1162 VanDerWaalsContact C-N 3.27Å; H1160-S1162 PolarHBondContact O-N 3.04Å; H1160-S1162 VanDerWaalsContact O-N 3.07Å
1161S27.8Very low37.9Very low107 Ų107120.7 Ų120.775%0.74864%0.643SS**  trans-85.650.2-173.761.20000114.1F1159F1159-S1161 VanDerWaalsContact C-N 3.25Å; F1159-S1161 PolarHBondContact O-N 2.76Å; F1159-S1161 VanDerWaalsContact O-N 3.07Å
1162S30.1Very low40.5Very low52 Ų52118.8 Ų118.836%0.36463%0.634SS.*  trans-123.247.9-176.5-71.10000112.7E590 H1160E590-S1162 VanDerWaalsContact OE1-CB 3.29Å; E590-S1162 WeakPolarHBondContact OE1-CB 3.35Å; H1160-S1162 VanDerWaalsContact C-N 3.27Å; H1160-S1162 PolarHBondContact O-N 3.04Å; H1160-S1162 VanDerWaalsContact O-N 3.07Å
1163I32Very low42.8Very low156 Ų156112 Ų11280%0.860%0.603SS**  trans-144.373.2164.9-50.2179.8000108.7
1164H31.9Very low45.6Very low154 Ų154107.7 Ų107.771%0.71357%0.572SS**  trans-151.843.8171.8-146.1-82.3000116.2W1167H1164-W1167 PolarHBondContact CE1-O 3.17Å; H1164-W1167 VanDerWaalsContact CE1-O 3.25Å
1165Q33.5Very low48.5Very low105 Ų105100.9 Ų100.949%0.49154%0.537SS..SBendtrans-960-178.2-131.3-173.8-19.200115.2E593E593-Q1165 VanDerWaalsContact CB-NE2 3.34Å; E593-Q1165 PolarHBondContact OE2-NE2 3.23Å
1166V35.6Very low51Low118 Ų118101.3 Ų101.372%0.71553%0.525SS*.SBendtrans-112.3-22.1-166.4-1760000114.8
1167W34.6Very low53.5Low192 Ų192101.2 Ų101.273%0.72751%0.514SS*.  trans-133.880.3-175.8-63.499.4000113H1164 D1169H1164-W1167 PolarHBondContact CE1-O 3.17Å; H1164-W1167 VanDerWaalsContact CE1-O 3.25Å; W1167-D1169 PolarHBondContact O-N 3.01Å
1168Q52.7Low55.8Low148 Ų14897.3 Ų97.369%0.69249%0.49SS*.  trans-63.2130.2159.9-66.4-171.58.200108.7P1170Q1168-P1170 WeakPolarHBondContact O-CD 3.42Å; Q1168-P1170 VanDerWaalsContact O-N 3.15Å
1169D74.6Confident58.3Low49 Ų4995.1 Ų95.126%0.26248%0.484SS..  trans-64.4116176.6175.527.2000109.6W1167 L1171 Q1172 E1173 K1183 R1288W1167-D1169 PolarHBondContact O-N 3.01Å; D1169-L1171 PolarHBondContact O-N 3.24Å; D1169-L1171 VanDerWaalsContact O-N 3.08Å; D1169-Q1172 HydrophobicContact CB-CB 4.29Å; D1169-Q1172 WeakPolarHBondContact O-CA 3.43Å; D1169-Q1172 VanDerWaalsContact O-CB 3.25Å; D1169-Q1172 WeakPolarHBondContact O-CB 3.46Å; D1169-Q1172 PolarHBondContact O-N 3.08Å; D1169-E1173 PolarHBondContact O-N 3.48Å; D1169-K1183 VanDerWaalsContact OD2-CE 3.29Å; D1169-K1183 WeakPolarHBondContact OD2-CE 3.07Å; D1169-K1183 IonicContact OD2-NZ 3.95Å; D1169-K1183 PolarHBondContact OD2-NZ 2.92Å; D1169-R1288 IonicContact OD1-NH2 3.9Å; D1169-R1288 PolarHBondContact OD1-NH2 2.97Å
1170P75.9Confident60.6Low16 Ų1687 Ų8710%0.10445%0.45CS..Hα-helixtrans-63.9-24.1-170.5-2536.7000113.7Q1168 Q1172 E1173 L1174 Y1287 R1288 V1292Q1168-P1170 WeakPolarHBondContact O-CD 3.42Å; Q1168-P1170 VanDerWaalsContact O-N 3.15Å; P1170-Q1172 VanDerWaalsContact C-N 3.31Å; P1170-E1173 PolarHBondContact O-N 2.99Å; P1170-L1174 WeakPolarHBondContact O-CB 3.26Å; P1170-L1174 PolarHBondContact O-N 3.08Å; P1170-Y1287 HydrophobicContact CB-CE1 3.83Å; P1170-R1288 HydrophobicContact CG-CG 4.43Å; P1170-V1292 HydrophobicContact CB-CB 4.4Å; P1170-V1292 HydrophobicContact CB-CG1 4.07Å; P1170-V1292 HydrophobicContact CB-CG2 3.45Å; P1170-V1292 VanDerWaalsContact CB-CG2 3.45Å; P1170-V1292 HydrophobicContact CG-CB 4.34Å; P1170-V1292 HydrophobicContact CG-CG1 3.67Å; P1170-V1292 HydrophobicContact CG-CG2 3.87Å
1171L83.3Confident63Low14 Ų1482.4 Ų82.47%0.07345%0.448CS..Hα-helixtrans-70-26.3172.8-67.9-178.6000113.4D1169 L1174 A1175 K1183 L1187 M1280 T1284 Y1287D1169-L1171 PolarHBondContact O-N 3.24Å; D1169-L1171 VanDerWaalsContact O-N 3.08Å; L1171-L1174 HydrophobicContact CD2-CD2 4.37Å; L1171-A1175 WeakPolarHBondContact O-CB 3.34Å; L1171-A1175 PolarHBondContact O-N 3.19Å; L1171-K1183 HydrophobicContact CB-CB 4.04Å; L1171-K1183 HydrophobicContact CB-CD 4.04Å; L1171-K1183 HydrophobicContact CB-CG 4.05Å; L1171-L1187 HydrophobicContact CD2-CB 4.16Å; L1171-L1187 HydrophobicContact CD2-CD1 3.92Å; L1171-L1187 HydrophobicContact CD2-CD2 4.08Å; L1171-L1187 HydrophobicContact CD2-CG 4.29Å; L1171-M1280 HydrophobicContact CD1-CE 4.21Å; L1171-T1284 HydrophobicContact CD1-CG2 3.65Å; L1171-T1284 HydrophobicContact CD2-CG2 4.23Å; L1171-T1284 HydrophobicContact CG-CG2 3.97Å; L1171-Y1287 HydrophobicContact CD2-CD1 3.88Å; L1171-Y1287 HydrophobicContact CD2-CE1 4.19Å
1172Q82.9Confident65.9Low109 Ų10979.4 Ų79.451%0.50943%0.427SS..Hα-helixtrans-71.2-43.4175.1-172.761.927.300110.4D1169 P1170 A1175 R1176D1169-Q1172 HydrophobicContact CB-CB 4.29Å; D1169-Q1172 WeakPolarHBondContact O-CA 3.43Å; D1169-Q1172 VanDerWaalsContact O-CB 3.25Å; D1169-Q1172 WeakPolarHBondContact O-CB 3.46Å; D1169-Q1172 PolarHBondContact O-N 3.08Å; P1170-Q1172 VanDerWaalsContact C-N 3.31Å; Q1172-A1175 WeakPolarHBondContact O-CB 3.48Å; Q1172-A1175 PolarHBondContact O-N 3.47Å; Q1172-R1176 PolarHBondContact O-N 3.22Å
1173E80.5Confident68.7Low52 Ų5280.7 Ų80.724%0.24343%0.426CS..Hα-helixtrans-67.8-41.5175.6179.655.6-167.600111.4D1169 P1170 A1175 R1176 L1177D1169-E1173 PolarHBondContact O-N 3.48Å; P1170-E1173 PolarHBondContact O-N 2.99Å; E1173-A1175 PolarHBondContact O-N 3.33Å; E1173-R1176 WeakPolarHBondContact O-CB 3.49Å; E1173-R1176 PolarHBondContact O-N 3.43Å; E1173-R1176 VanDerWaalsContact O-N 3.09Å; E1173-R1176 IonicContact OE1-CZ 3.52Å; E1173-R1176 IonicContact OE1-NE 2.69Å; E1173-R1176 PolarHBondContact OE1-NE 2.9Å; E1173-R1176 IonicContact OE1-NH2 2.67Å; E1173-R1176 PolarHBondContact OE1-NH2 3.02Å; E1173-R1176 IonicContact OE2-CZ 3.59Å; E1173-R1176 IonicContact OE2-NE 2.93Å; E1173-R1176 PolarHBondContact OE2-NE 2.65Å; E1173-R1176 IonicContact OE2-NH2 2.76Å; E1173-R1176 PolarHBondContact OE2-NH2 3.37Å; E1173-L1177 HydrophobicContact CG-CD1 3.93Å; E1173-L1177 HydrophobicContact CG-CG 4.28Å; E1173-L1177 WeakPolarHBondContact O-CG 2.89Å; E1173-L1177 PolarHBondContact O-N 2.86Å; E1173-L1177 WeakPolarHBondContact OE1-CD2 3.48Å; E1173-L1177 VanDerWaalsContact OE1-CG 3.31Å; E1173-L1177 WeakPolarHBondContact OE1-CG 3.43Å
1174L84.8Confident71.6Confident14 Ų1477.5 Ų77.57%0.07340%0.404CS..Hα-helixtrans-55.9-39.8170.8-171.166.2000111.8P1170 L1171 T1178 A1186 L1187 W1190 Y1287P1170-L1174 WeakPolarHBondContact O-CB 3.26Å; P1170-L1174 PolarHBondContact O-N 3.08Å; L1171-L1174 HydrophobicContact CD2-CD2 4.37Å; L1174-T1178 HydrophobicContact CD1-CG2 3.99Å; L1174-T1178 HydrophobicContact CG-CG2 4.31Å; L1174-T1178 VanDerWaalsContact O-CB 3.31Å; L1174-T1178 WeakPolarHBondContact O-CB 3.49Å; L1174-T1178 VanDerWaalsContact O-CG2 3.29Å; L1174-T1178 WeakPolarHBondContact O-CG2 3.46Å; L1174-T1178 PolarHBondContact O-N 2.8Å; L1174-T1178 PolarHBondContact O-OG1 3.33Å; L1174-A1186 HydrophobicContact CB-CB 4.36Å; L1174-A1186 HydrophobicContact CD2-CB 4.21Å; L1174-A1186 HydrophobicContact CG-CB 3.97Å; L1174-L1187 HydrophobicContact CD2-CB 4.35Å; L1174-L1187 HydrophobicContact CD2-CD1 4.1Å; L1174-W1190 HydrophobicContact CD1-CB 4.39Å; L1174-W1190 HydrophobicContact CD2-CB 4.03Å; L1174-W1190 HydrophobicContact CD2-CG 4.42Å; L1174-Y1287 HydrophobicContact CB-CE1 4.38Å; L1174-Y1287 HydrophobicContact CD1-CE2 4.01Å; L1174-Y1287 HydrophobicContact CD2-CD2 4.31Å; L1174-Y1287 HydrophobicContact CD2-CE1 4.15Å; L1174-Y1287 HydrophobicContact CD2-CE2 3.91Å; L1174-Y1287 HydrophobicContact CG-CE2 4.43Å
1175A88Confident74.5Confident13 Ų1373.6 Ų73.611%0.10739%0.388CS..Hα-helixtrans-68.7-34.8177.300000113.5L1171 Q1172 E1173 G1179 A1180 A1186L1171-A1175 WeakPolarHBondContact O-CB 3.34Å; L1171-A1175 PolarHBondContact O-N 3.19Å; Q1172-A1175 WeakPolarHBondContact O-CB 3.48Å; Q1172-A1175 PolarHBondContact O-N 3.47Å; E1173-A1175 PolarHBondContact O-N 3.33Å; A1175-G1179 PolarHBondContact O-N 2.91Å; A1175-A1180 PolarHBondContact O-N 2.98Å; A1175-A1186 VanDerWaalsContact CA-CB 3.44Å; A1175-A1186 HydrophobicContact CB-CB 3.79Å
1176R82.4Confident77.3Confident134 Ų13468.6 Ų68.651%0.50637%0.365SS..Hα-helixtrans-66.2-53172.9-164.4-175.671.2106.52.3110.8T604 Q1172 E1173 T1178 G1179T604-R1176 PolarHBondContact OG1-NH1 3.1Å; Q1172-R1176 PolarHBondContact O-N 3.22Å; E1173-R1176 WeakPolarHBondContact O-CB 3.49Å; E1173-R1176 PolarHBondContact O-N 3.43Å; E1173-R1176 VanDerWaalsContact O-N 3.09Å; E1173-R1176 IonicContact OE1-CZ 3.52Å; E1173-R1176 IonicContact OE1-NE 2.69Å; E1173-R1176 PolarHBondContact OE1-NE 2.9Å; E1173-R1176 IonicContact OE1-NH2 2.67Å; E1173-R1176 PolarHBondContact OE1-NH2 3.02Å; E1173-R1176 IonicContact OE2-CZ 3.59Å; E1173-R1176 IonicContact OE2-NE 2.93Å; E1173-R1176 PolarHBondContact OE2-NE 2.65Å; E1173-R1176 IonicContact OE2-NH2 2.76Å; E1173-R1176 PolarHBondContact OE2-NH2 3.37Å; R1176-T1178 PolarHBondContact O-N 3.47Å; R1176-G1179 PolarHBondContact O-N 3.48Å
1177L80.6Confident80.1Confident118 Ų11863 Ų6362%0.61833%0.331SS*.Hα-helixtrans-62.7-42.3-178.8-67.9172.4000113E1173 G1179E1173-L1177 HydrophobicContact CG-CD1 3.93Å; E1173-L1177 HydrophobicContact CG-CG 4.28Å; E1173-L1177 WeakPolarHBondContact O-CG 2.89Å; E1173-L1177 PolarHBondContact O-N 2.86Å; E1173-L1177 WeakPolarHBondContact OE1-CD2 3.48Å; E1173-L1177 VanDerWaalsContact OE1-CG 3.31Å; E1173-L1177 WeakPolarHBondContact OE1-CG 3.43Å; L1177-G1179 VanDerWaalsContact C-N 3.34Å
1178T79.1Confident83Confident43 Ų4355.1 Ų55.126%0.26430%0.302SS..THydrogen-bonded Turntrans-83.9-5.5-178.160.50000114.2L1174 R1176 A1180 A1186 R1189L1174-T1178 HydrophobicContact CD1-CG2 3.99Å; L1174-T1178 HydrophobicContact CG-CG2 4.31Å; L1174-T1178 VanDerWaalsContact O-CB 3.31Å; L1174-T1178 WeakPolarHBondContact O-CB 3.49Å; L1174-T1178 VanDerWaalsContact O-CG2 3.29Å; L1174-T1178 WeakPolarHBondContact O-CG2 3.46Å; L1174-T1178 PolarHBondContact O-N 2.8Å; L1174-T1178 PolarHBondContact O-OG1 3.33Å; R1176-T1178 PolarHBondContact O-N 3.47Å; T1178-A1180 PolarHBondContact O-N 2.6Å; T1178-A1180 WeakPolarHBondContact OG1-CB 3.27Å; T1178-A1186 WeakPolarHBondContact OG1-CB 3.43Å; T1178-R1189 PolarHBondContact O-NH1 2.71Å
1179G78.9Confident84.9Confident59 Ų5954 Ų5461%0.60829%0.292SS*.THydrogen-bonded Turntrans52.740.1-177.200000112.9A1175 R1176 L1177 R1189A1175-G1179 PolarHBondContact O-N 2.91Å; R1176-G1179 PolarHBondContact O-N 3.48Å; L1177-G1179 VanDerWaalsContact C-N 3.34Å; G1179-R1189 PolarHBondContact O-NH1 2.97Å; G1179-R1189 VanDerWaalsContact O-NH1 3.12Å
1180A76.3Confident85.9Confident8 Ų852.3 Ų52.37%0.06628%0.282CS..  trans-95.4-4.3-166.400000114.8A1175 T1178 S1182 N1185 A1186A1175-A1180 PolarHBondContact O-N 2.98Å; T1178-A1180 PolarHBondContact O-N 2.6Å; T1178-A1180 WeakPolarHBondContact OG1-CB 3.27Å; A1180-S1182 PolarHBondContact O-N 2.93Å; A1180-N1185 HydrophobicContact CB-CB 3.8Å; A1180-N1185 VanDerWaalsContact O-CB 3.22Å; A1180-N1185 WeakPolarHBondContact O-CB 3.49Å; A1180-N1185 PolarHBondContact O-ND2 2.99Å; A1180-A1186 HydrophobicContact CB-CB 3.97Å
1181G76.8Confident86.8Confident70 Ų7051.5 Ų51.572%0.72228%0.277SS*.SBendtrans71.4-13.4178.500000115.6
1182S88.4Confident87.3Confident43 Ų4354.6 Ų54.630%0.30129%0.291SS..SBendtrans-155.7153.117170.40000111.9A1180 R1184 N1185 A1186A1180-S1182 PolarHBondContact O-N 2.93Å; S1182-R1184 PolarHBondContact O-N 3.21Å; S1182-N1185 PolarHBondContact O-N 3Å; S1182-N1185 VanDerWaalsContact O-N 3.13Å; S1182-N1185 WeakPolarHBondContact OG-CB 3.48Å; S1182-N1185 PolarHBondContact OG-N 3.3Å; S1182-N1185 PolarHBondContact OG-ND2 2.84Å; S1182-N1185 VanDerWaalsContact OG-ND2 3.16Å; S1182-A1186 WeakPolarHBondContact O-CB 3.44Å; S1182-A1186 PolarHBondContact O-N 3.44Å
1183K90.2Very high87.8Confident79 Ų7953.6 Ų53.634%0.34330%0.296SS..Hα-helixtrans-50.5-40.4172.7-63-176.6-175.9-174.90112.5D1169 L1171 A1186 L1187D1169-K1183 VanDerWaalsContact OD2-CE 3.29Å; D1169-K1183 WeakPolarHBondContact OD2-CE 3.07Å; D1169-K1183 IonicContact OD2-NZ 3.95Å; D1169-K1183 PolarHBondContact OD2-NZ 2.92Å; L1171-K1183 HydrophobicContact CB-CB 4.04Å; L1171-K1183 HydrophobicContact CB-CD 4.04Å; L1171-K1183 HydrophobicContact CB-CG 4.05Å; K1183-A1186 WeakPolarHBondContact O-CB 3.45Å; K1183-A1186 PolarHBondContact O-N 3.03Å; K1183-L1187 PolarHBondContact O-N 2.96Å
1184R93.3Very high88.4Confident90 Ų9055.4 Ų55.434%0.3430%0.3SS..Hα-helixtrans-63-50.3176.9-172.6-176.5-170.6132.113.4112.2S1182 A1186 L1188 F1206 W1276 M1280S1182-R1184 PolarHBondContact O-N 3.21Å; R1184-A1186 VanDerWaalsContact C-N 3.26Å; R1184-A1186 PolarHBondContact O-N 3.33Å; R1184-L1188 WeakPolarHBondContact O-CB 3.49Å; R1184-L1188 PolarHBondContact O-N 3.42Å; R1184-F1206 HydrophobicContact CG-CD2 4.11Å; R1184-F1206 HydrophobicContact CG-CE2 3.91Å; R1184-W1276 VanDerWaalsContact NH1-CH2 3.29Å; R1184-M1280 HydrophobicContact CB-CE 4.49Å; R1184-M1280 HydrophobicContact CG-SD 4.18Å
1185N92.5Very high88.7Confident72 Ų7255 Ų5539%0.38530%0.299SS..Hα-helixtrans-67-32.3-180-64.9-16.7000111.6A1180 S1182 L1188 R1189A1180-N1185 HydrophobicContact CB-CB 3.8Å; A1180-N1185 VanDerWaalsContact O-CB 3.22Å; A1180-N1185 WeakPolarHBondContact O-CB 3.49Å; A1180-N1185 PolarHBondContact O-ND2 2.99Å; S1182-N1185 PolarHBondContact O-N 3Å; S1182-N1185 VanDerWaalsContact O-N 3.13Å; S1182-N1185 WeakPolarHBondContact OG-CB 3.48Å; S1182-N1185 PolarHBondContact OG-N 3.3Å; S1182-N1185 PolarHBondContact OG-ND2 2.84Å; S1182-N1185 VanDerWaalsContact OG-ND2 3.16Å; N1185-L1188 PolarHBondContact O-N 3.48Å; N1185-R1189 WeakPolarHBondContact O-CB 3.46Å; N1185-R1189 WeakPolarHBondContact O-CG 3.25Å; N1185-R1189 PolarHBondContact O-N 3.42Å
1186A92.5Very high88.9Confident0 Ų061.4 Ų61.40%033%0.33CS..Hα-helixtrans-63.9-53.417700000111.4L1174 A1175 T1178 A1180 S1182 K1183 R1184 L1188 R1189 W1190L1174-A1186 HydrophobicContact CB-CB 4.36Å; L1174-A1186 HydrophobicContact CD2-CB 4.21Å; L1174-A1186 HydrophobicContact CG-CB 3.97Å; A1175-A1186 VanDerWaalsContact CA-CB 3.44Å; A1175-A1186 HydrophobicContact CB-CB 3.79Å; T1178-A1186 WeakPolarHBondContact OG1-CB 3.43Å; A1180-A1186 HydrophobicContact CB-CB 3.97Å; S1182-A1186 WeakPolarHBondContact O-CB 3.44Å; S1182-A1186 PolarHBondContact O-N 3.44Å; K1183-A1186 WeakPolarHBondContact O-CB 3.45Å; K1183-A1186 PolarHBondContact O-N 3.03Å; R1184-A1186 VanDerWaalsContact C-N 3.26Å; R1184-A1186 PolarHBondContact O-N 3.33Å; A1186-L1188 VanDerWaalsContact C-N 3.26Å; A1186-L1188 PolarHBondContact O-N 3.48Å; A1186-R1189 PolarHBondContact O-N 3.4Å; A1186-W1190 WeakPolarHBondContact O-CB 3.49Å; A1186-W1190 PolarHBondContact O-N 3.19Å
1187L94.8Very high89.1Confident0 Ų058.7 Ų58.70%034%0.344CS..Hα-helixtrans-63.9-32.6176.4-16764.8000111.9L1171 L1174 K1183 W1190 C1191 F1206 M1280 I1283 T1284 Y1287L1171-L1187 HydrophobicContact CD2-CB 4.16Å; L1171-L1187 HydrophobicContact CD2-CD1 3.92Å; L1171-L1187 HydrophobicContact CD2-CD2 4.08Å; L1171-L1187 HydrophobicContact CD2-CG 4.29Å; L1174-L1187 HydrophobicContact CD2-CB 4.35Å; L1174-L1187 HydrophobicContact CD2-CD1 4.1Å; K1183-L1187 PolarHBondContact O-N 2.96Å; L1187-W1190 HydrophobicContact CD1-CD2 4.2Å; L1187-W1190 HydrophobicContact CD1-CE3 3.55Å; L1187-W1190 HydrophobicContact CD1-CZ3 3.96Å; L1187-W1190 HydrophobicContact CG-CE3 4.36Å; L1187-W1190 WeakPolarHBondContact O-CB 3.34Å; L1187-W1190 PolarHBondContact O-N 2.94Å; L1187-C1191 PolarHBondContact O-N 2.6Å; L1187-C1191 PolarHBondContact O-SG 3.5Å; L1187-F1206 HydrophobicContact CB-CZ 4.01Å; L1187-F1206 HydrophobicContact CD2-CE1 4.34Å; L1187-F1206 HydrophobicContact CD2-CZ 4.17Å; L1187-F1206 HydrophobicContact CG-CE1 4.37Å; L1187-F1206 HydrophobicContact CG-CZ 4.02Å; L1187-M1280 HydrophobicContact CB-CE 3.99Å; L1187-M1280 HydrophobicContact CD2-CE 3.44Å; L1187-M1280 VanDerWaalsContact CD2-CE 3.44Å; L1187-M1280 HydrophobicContact CD2-SD 3.8Å; L1187-M1280 HydrophobicContact CG-CE 4.37Å; L1187-I1283 HydrophobicContact CD1-CG2 4.25Å; L1187-I1283 HydrophobicContact CD2-CB 4.41Å; L1187-I1283 HydrophobicContact CD2-CG2 3.9Å; L1187-I1283 HydrophobicContact CG-CG2 4.01Å; L1187-T1284 WeakPolarHBondContact CD2-OG1 3.33Å; L1187-Y1287 HydrophobicContact CD1-CD1 4.33Å; L1187-Y1287 HydrophobicContact CD1-CD2 4.3Å; L1187-Y1287 HydrophobicContact CD1-CG 3.84Å
1188L95.1Very high89.6Confident26 Ų2655.1 Ų55.114%0.13632%0.323CS..Hα-helixtrans-67.1-46.1175.8-172.267.4000111.6R1184 N1185 A1186 W1190 C1191 Q1192 V1203 F1206R1184-L1188 WeakPolarHBondContact O-CB 3.49Å; R1184-L1188 PolarHBondContact O-N 3.42Å; N1185-L1188 PolarHBondContact O-N 3.48Å; A1186-L1188 VanDerWaalsContact C-N 3.26Å; A1186-L1188 PolarHBondContact O-N 3.48Å; L1188-W1190 VanDerWaalsContact C-N 3.3Å; L1188-W1190 PolarHBondContact O-N 3.03Å; L1188-C1191 PolarHBondContact O-N 2.89Å; L1188-Q1192 WeakPolarHBondContact O-CB 3.48Å; L1188-Q1192 VanDerWaalsContact O-CG 3.25Å; L1188-Q1192 WeakPolarHBondContact O-CG 3.37Å; L1188-Q1192 PolarHBondContact O-N 3.36Å; L1188-V1203 HydrophobicContact CD1-CG1 3.8Å; L1188-F1206 HydrophobicContact CB-CE2 3.83Å; L1188-F1206 HydrophobicContact CB-CZ 3.95Å; L1188-F1206 HydrophobicContact CD1-CD2 4.42Å; L1188-F1206 HydrophobicContact CD1-CE2 4.03Å; L1188-F1206 HydrophobicContact CD1-CZ 4.13Å; L1188-F1206 HydrophobicContact CG-CE2 4.49Å
1189R93Very high89.8Confident124 Ų12459.7 Ų59.747%0.46834%0.335SS..Hα-helixtrans-61.4-38.3173.4-78.8-177.3177169.23.8111.9T1178 G1179 N1185 A1186 Q1192 S1193T1178-R1189 PolarHBondContact O-NH1 2.71Å; G1179-R1189 PolarHBondContact O-NH1 2.97Å; G1179-R1189 VanDerWaalsContact O-NH1 3.12Å; N1185-R1189 WeakPolarHBondContact O-CB 3.46Å; N1185-R1189 WeakPolarHBondContact O-CG 3.25Å; N1185-R1189 PolarHBondContact O-N 3.42Å; A1186-R1189 PolarHBondContact O-N 3.4Å; R1189-Q1192 PolarHBondContact O-N 3.49Å; R1189-S1193 VanDerWaalsContact O-CB 3.3Å; R1189-S1193 WeakPolarHBondContact O-CB 3.48Å; R1189-S1193 PolarHBondContact O-N 2.92Å
1190W93.8Very high90Very high14 Ų1459 Ų595%0.05333%0.328CS..Hα-helixtrans-61.3-49.9174.3172.283.9000111.9L1174 A1186 L1187 L1188 Q1192 S1193 R1194 L1219 Y1223 I1283 V1286 Y1287 E1291L1174-W1190 HydrophobicContact CD1-CB 4.39Å; L1174-W1190 HydrophobicContact CD2-CB 4.03Å; L1174-W1190 HydrophobicContact CD2-CG 4.42Å; A1186-W1190 WeakPolarHBondContact O-CB 3.49Å; A1186-W1190 PolarHBondContact O-N 3.19Å; L1187-W1190 HydrophobicContact CD1-CD2 4.2Å; L1187-W1190 HydrophobicContact CD1-CE3 3.55Å; L1187-W1190 HydrophobicContact CD1-CZ3 3.96Å; L1187-W1190 HydrophobicContact CG-CE3 4.36Å; L1187-W1190 WeakPolarHBondContact O-CB 3.34Å; L1187-W1190 PolarHBondContact O-N 2.94Å; L1188-W1190 VanDerWaalsContact C-N 3.3Å; L1188-W1190 PolarHBondContact O-N 3.03Å; W1190-Q1192 PolarHBondContact O-N 3.34Å; W1190-S1193 PolarHBondContact O-N 3.29Å; W1190-R1194 HydrophobicContact CD2-CG 4.47Å; W1190-R1194 HydrophobicContact CZ2-CG 4.49Å; W1190-R1194 WeakPolarHBondContact O-CG 3.5Å; W1190-R1194 PolarHBondContact O-N 3.01Å; W1190-L1219 HydrophobicContact CH2-CD1 3.87Å; W1190-L1219 HydrophobicContact CH2-CD2 3.94Å; W1190-L1219 HydrophobicContact CH2-CG 4.33Å; W1190-L1219 HydrophobicContact CZ2-CD1 4.39Å; W1190-L1219 HydrophobicContact CZ3-CD1 3.96Å; W1190-L1219 HydrophobicContact CZ3-CD2 3.8Å; W1190-L1219 HydrophobicContact CZ3-CG 4.48Å; W1190-Y1223 VanDerWaalsContact CZ2-OH 3.22Å; W1190-Y1223 WeakPolarHBondContact CZ2-OH 3.45Å; W1190-I1283 HydrophobicContact CZ3-CG2 3.88Å; W1190-V1286 HydrophobicContact CH2-CG1 4.37Å; W1190-Y1287 AromaticContact CD2-CD2 3.91Å; W1190-Y1287 HydrophobicContact CD2-CD2 3.91Å; W1190-Y1287 AromaticContact CE2-CD2 3.53Å; W1190-Y1287 HydrophobicContact CE3-CD2 4.44Å; W1190-Y1287 HydrophobicContact CG-CD2 4.29Å; W1190-Y1287 HydrophobicContact CH2-CD2 4.27Å; W1190-Y1287 AromaticContact CZ2-CD2 3.71Å; W1190-Y1287 HydrophobicContact CZ2-CD2 3.71Å; W1190-Y1287 HydrophobicContact CZ2-CG 4.43Å; W1190-Y1287 AromaticContact NE1-CD2 3.71Å; W1190-Y1287 AromaticContact NE1-CE2 3.96Å; W1190-E1291 HydrophobicContact CZ2-CG 3.97Å; W1190-E1291 PolarHBondContact NE1-OE1 3.5Å
1191C95Very high90.7Very high0 Ų059.5 Ų59.50%033%0.33CS..Hα-helixtrans-55.9-50.1174.3-65.60000111.2L1187 L1188 S1193 R1194 V1195 V1203 W1210L1187-C1191 PolarHBondContact O-N 2.6Å; L1187-C1191 PolarHBondContact O-SG 3.5Å; L1188-C1191 PolarHBondContact O-N 2.89Å; C1191-S1193 VanDerWaalsContact C-N 3.3Å; C1191-S1193 PolarHBondContact O-N 3.34Å; C1191-R1194 PolarHBondContact O-N 3.09Å; C1191-V1195 WeakPolarHBondContact O-CG2 3.49Å; C1191-V1195 PolarHBondContact O-N 2.98Å; C1191-V1203 HydrophobicContact CB-CG1 3.93Å; C1191-W1210 HydrophobicContact CB-CH2 4.26Å; C1191-W1210 HydrophobicContact CB-CZ2 4.1Å
1192Q94.8Very high91.4Very high78 Ų7863.5 Ų63.536%0.36433%0.33SS..Hα-helixtrans-57.8-39.9178.7-74.7169.3-15.400112.8L1188 R1189 W1190 L1196 V1203L1188-Q1192 WeakPolarHBondContact O-CB 3.48Å; L1188-Q1192 VanDerWaalsContact O-CG 3.25Å; L1188-Q1192 WeakPolarHBondContact O-CG 3.37Å; L1188-Q1192 PolarHBondContact O-N 3.36Å; R1189-Q1192 PolarHBondContact O-N 3.49Å; W1190-Q1192 PolarHBondContact O-N 3.34Å; Q1192-L1196 PolarHBondContact O-N 3.18Å; Q1192-V1203 HydrophobicContact CG-CB 4.42Å; Q1192-V1203 WeakPolarHBondContact CG-O 3.27Å; Q1192-V1203 PolarHBondContact NE2-O 2.86Å
1193S92.9Very high91.6Very high88 Ų8861.6 Ų61.662%0.61532%0.317SS*.Hα-helixtrans-68.3-45.9177.5-1690000111.6R1189 W1190 C1191 L1196R1189-S1193 VanDerWaalsContact O-CB 3.3Å; R1189-S1193 WeakPolarHBondContact O-CB 3.48Å; R1189-S1193 PolarHBondContact O-N 2.92Å; W1190-S1193 PolarHBondContact O-N 3.29Å; C1191-S1193 VanDerWaalsContact C-N 3.3Å; C1191-S1193 PolarHBondContact O-N 3.34Å; S1193-L1196 WeakPolarHBondContact O-CB 3.29Å; S1193-L1196 PolarHBondContact O-N 3.06Å
1194R92.5Very high91.8Very high90 Ų9061.3 Ų61.334%0.3432%0.322SS..Hα-helixtrans-66.6-44.7-180-70.5-73.1178.9-177.70.8111.9W1190 C1191 L1196 L1219 T1222 Y1223 E1291W1190-R1194 HydrophobicContact CD2-CG 4.47Å; W1190-R1194 HydrophobicContact CZ2-CG 4.49Å; W1190-R1194 WeakPolarHBondContact O-CG 3.5Å; W1190-R1194 PolarHBondContact O-N 3.01Å; C1191-R1194 PolarHBondContact O-N 3.09Å; R1194-L1196 VanDerWaalsContact C-N 3.26Å; R1194-L1196 PolarHBondContact O-N 3.08Å; R1194-L1219 HydrophobicContact CB-CD1 3.69Å; R1194-L1219 HydrophobicContact CG-CD1 4.24Å; R1194-T1222 HydrophobicContact CB-CG2 4.36Å; R1194-T1222 WeakPolarHBondContact O-CG2 3.49Å; R1194-Y1223 WeakPolarHBondContact CD-OH 3.49Å; R1194-Y1223 PolarHBondContact NE-OH 3.11Å; R1194-E1291 IonicContact CZ-OE1 2.65Å; R1194-E1291 VanDerWaalsContact CZ-OE1 3.24Å; R1194-E1291 IonicContact NE-OE1 2.77Å; R1194-E1291 PolarHBondContact NE-OE1 3.4Å; R1194-E1291 IonicContact NH2-OE1 3.82Å; R1194-E1291 PolarHBondContact NH2-OE1 3.28Å; R1194-E1291 IonicContact NH2-OE2 2.77Å; R1194-E1291 PolarHBondContact NH2-OE2 2.87Å
1195V92.9Very high91.7Very high7 Ų758.8 Ų58.84%0.04232%0.315CS..THydrogen-bonded Turntrans-83.48.8-179.8-490000114.5C1191 G1197 Y1198 V1201 V1203 A1218 L1219C1191-V1195 WeakPolarHBondContact O-CG2 3.49Å; C1191-V1195 PolarHBondContact O-N 2.98Å; V1195-G1197 PolarHBondContact O-N 3.44Å; V1195-Y1198 HydrophobicContact CB-CD2 4.41Å; V1195-Y1198 WeakPolarHBondContact O-CD2 3.43Å; V1195-Y1198 PolarHBondContact O-N 2.96Å; V1195-Y1198 VanDerWaalsContact O-N 3.17Å; V1195-V1201 HydrophobicContact CB-CG1 4.05Å; V1195-V1201 HydrophobicContact CG1-CG1 4.48Å; V1195-V1201 HydrophobicContact CG2-CG1 3.82Å; V1195-V1203 HydrophobicContact CG2-CB 4.5Å; V1195-V1203 HydrophobicContact CG2-CG2 3.98Å; V1195-A1218 HydrophobicContact CB-CB 4.21Å; V1195-A1218 HydrophobicContact CG1-CB 3.95Å; V1195-L1219 HydrophobicContact CG1-CB 4.16Å
1196L91.6Very high91.8Very high146 Ų14655.4 Ų55.476%0.76430%0.297SS*.THydrogen-bonded Turntrans-64.6121.9-177.9-171.266.5000111.3Q1192 S1193 R1194Q1192-L1196 PolarHBondContact O-N 3.18Å; S1193-L1196 WeakPolarHBondContact O-CB 3.29Å; S1193-L1196 PolarHBondContact O-N 3.06Å; R1194-L1196 VanDerWaalsContact C-N 3.26Å; R1194-L1196 PolarHBondContact O-N 3.08Å
1197G86.6Confident91.8Very high77 Ų7755.8 Ų55.879%0.79430%0.299SS*.THydrogen-bonded Turntrans97-9-178.600000114.9V1195 R1199V1195-G1197 PolarHBondContact O-N 3.44Å; G1197-R1199 PolarHBondContact O-N 3.11Å
1198Y90.8Very high91.6Very high43 Ų4358.2 Ų58.217%0.16932%0.316CS..  trans-71.2116.5171-73.9-100.7000109.9V1195 G1200 V1201 A1218 H1221 T1222 W1230V1195-Y1198 HydrophobicContact CB-CD2 4.41Å; V1195-Y1198 WeakPolarHBondContact O-CD2 3.43Å; V1195-Y1198 PolarHBondContact O-N 2.96Å; V1195-Y1198 VanDerWaalsContact O-N 3.17Å; Y1198-G1200 PolarHBondContact O-N 3.26Å; Y1198-V1201 PolarHBondContact O-N 2.92Å; Y1198-A1218 HydrophobicContact CD1-CB 3.6Å; Y1198-A1218 HydrophobicContact CD2-CB 4.3Å; Y1198-A1218 HydrophobicContact CE1-CB 4.16Å; Y1198-A1218 HydrophobicContact CG-CB 3.68Å; Y1198-H1221 HydrophobicContact CE1-CB 4.07Å; Y1198-H1221 AromaticContact CE1-CG 3.96Å; Y1198-H1221 AromaticContact CE1-ND1 3.45Å; Y1198-H1221 WeakPolarHBondContact CE1-ND1 3.4Å; Y1198-H1221 AromaticContact CZ-ND1 3.59Å; Y1198-H1221 PolarHBondContact OH-ND1 2.89Å; Y1198-H1221 PolarHBondContact OH-O 3.46Å; Y1198-T1222 HydrophobicContact CE2-CG2 3.64Å; Y1198-T1222 WeakPolarHBondContact OH-CG2 3.44Å; Y1198-T1222 PolarHBondContact OH-N 2.96Å; Y1198-W1230 AromaticContact CD1-CD2 3.97Å; Y1198-W1230 HydrophobicContact CD1-CD2 3.97Å; Y1198-W1230 AromaticContact CD1-CE2 3.8Å; Y1198-W1230 HydrophobicContact CD1-CE3 4.05Å; Y1198-W1230 AromaticContact CD1-CH2 3.9Å; Y1198-W1230 HydrophobicContact CD1-CH2 3.9Å; Y1198-W1230 AromaticContact CD1-CZ2 3.78Å; Y1198-W1230 HydrophobicContact CD1-CZ2 3.78Å; Y1198-W1230 HydrophobicContact CD1-CZ3 4.02Å; Y1198-W1230 HydrophobicContact CE1-CD2 4.28Å; Y1198-W1230 HydrophobicContact CE1-CE3 4.31Å; Y1198-W1230 HydrophobicContact CG-CZ2 4.45Å
1199R83.9Confident91.5Very high139 Ų13957.8 Ų57.853%0.52532%0.315SS..THydrogen-bonded Turntrans-60.3135.3-178.6-173.7177.5-177-140.7-1.9110.4G1197 V1201 I1234 S1236G1197-R1199 PolarHBondContact O-N 3.11Å; R1199-V1201 PolarHBondContact O-N 2.94Å; R1199-I1234 HydrophobicContact CB-CD1 3.96Å; R1199-I1234 HydrophobicContact CG-CD1 4.24Å; R1199-I1234 WeakPolarHBondContact O-CD1 3.32Å; R1199-S1236 PolarHBondContact NH1-O 3.42Å; R1199-S1236 PolarHBondContact NH2-O 2.74Å
1200G82.5Confident91.5Very high44 Ų4451.9 Ų51.945%0.45429%0.293SS..THydrogen-bonded Turntrans76.82.4175.300000115.7Y1198 G1238Y1198-G1200 PolarHBondContact O-N 3.26Å; G1200-G1238 VanDerWaalsContact CA-O 3.3Å; G1200-G1238 WeakPolarHBondContact CA-O 3.35Å
1201V90.5Very high91.4Very high20 Ų2052.7 Ų52.712%0.12130%0.298CS..  trans-109115.6177.6176.90000109.8V1195 Y1198 R1199 V1203 L1214 A1215 A1218 W1230V1195-V1201 HydrophobicContact CB-CG1 4.05Å; V1195-V1201 HydrophobicContact CG1-CG1 4.48Å; V1195-V1201 HydrophobicContact CG2-CG1 3.82Å; Y1198-V1201 PolarHBondContact O-N 2.92Å; R1199-V1201 PolarHBondContact O-N 2.94Å; V1201-V1203 HydrophobicContact CG1-CG2 4.07Å; V1201-L1214 HydrophobicContact CG2-CB 3.88Å; V1201-A1215 HydrophobicContact CG1-CB 4.13Å; V1201-A1218 HydrophobicContact CG1-CB 4.28Å; V1201-A1218 HydrophobicContact CG2-CB 4.04Å; V1201-W1230 HydrophobicContact CG2-CH2 3.76Å; V1201-W1230 HydrophobicContact CG2-CZ2 4.47Å
1202E91Very high91.1Very high153 Ų15354 Ų5472%0.71531%0.306SS*.  trans-128.2105.5171.5-163.2-170.7159.200110T1204 S1209E1202-T1204 HydrophobicContact CG-CG2 4Å; E1202-T1204 PolarHBondContact O-N 3.48Å; E1202-T1204 WeakPolarHBondContact OE1-CG2 3.36Å; E1202-S1209 WeakPolarHBondContact O-CB 3.19Å; E1202-S1209 PolarHBondContact O-OG 2.81Å
1203V94Very high90.8Very high4 Ų450.3 Ų50.32%0.02429%0.288CS..  trans-91.197.7-179.41780000109.5L1188 C1191 Q1192 V1195 V1201 W1210 A1215L1188-V1203 HydrophobicContact CD1-CG1 3.8Å; C1191-V1203 HydrophobicContact CB-CG1 3.93Å; Q1192-V1203 HydrophobicContact CG-CB 4.42Å; Q1192-V1203 WeakPolarHBondContact CG-O 3.27Å; Q1192-V1203 PolarHBondContact NE2-O 2.86Å; V1195-V1203 HydrophobicContact CG2-CB 4.5Å; V1195-V1203 HydrophobicContact CG2-CG2 3.98Å; V1201-V1203 HydrophobicContact CG1-CG2 4.07Å; V1203-W1210 HydrophobicContact CG1-CZ2 3.62Å; V1203-W1210 HydrophobicContact CG2-CH2 4.36Å; V1203-W1210 HydrophobicContact CG2-CZ2 4.02Å; V1203-A1215 HydrophobicContact CG2-CB 4.05Å
1204T93.4Very high90.8Very high73 Ų7346.1 Ų46.145%0.44826%0.259SS..SBendtrans-105.1-15.217760.60000112.8E1202 S1209E1202-T1204 HydrophobicContact CG-CG2 4Å; E1202-T1204 PolarHBondContact O-N 3.48Å; E1202-T1204 WeakPolarHBondContact OE1-CG2 3.36Å; T1204-S1209 PolarHBondContact N-OG 2.88Å; T1204-S1209 PolarHBondContact OG1-OG 3.42Å
1205N92.9Very high90.9Very high37 Ų3741.8 Ų41.820%0.19824%0.243CC..SBendtrans-159.3172.3-174.967.592.5000111.2S1207 S1208 S1209 W1210N1205-S1207 VanDerWaalsContact OD1-CA 3.26Å; N1205-S1207 WeakPolarHBondContact OD1-CA 3.44Å; N1205-S1207 WeakPolarHBondContact OD1-CB 3.38Å; N1205-S1207 PolarHBondContact OD1-N 3.47Å; N1205-S1207 PolarHBondContact OD1-OG 3.17Å; N1205-S1208 PolarHBondContact ND2-OG 2.9Å; N1205-S1208 PolarHBondContact OD1-N 3.33Å; N1205-S1208 PolarHBondContact OD1-OG 2.83Å; N1205-S1209 PolarHBondContact ND2-OG 2.83Å; N1205-W1210 VanDerWaalsContact O-CD1 3.24Å; N1205-W1210 PolarHBondContact O-NE1 3.26Å
1206F94.1Very high90.9Very high1 Ų141.7 Ų41.70%0.00424%0.242CC..SBendtrans-94.422176.7-67.9-72.4000113.9R1184 L1187 L1188 W1276 V1279 M1280 I1283R1184-F1206 HydrophobicContact CG-CD2 4.11Å; R1184-F1206 HydrophobicContact CG-CE2 3.91Å; L1187-F1206 HydrophobicContact CB-CZ 4.01Å; L1187-F1206 HydrophobicContact CD2-CE1 4.34Å; L1187-F1206 HydrophobicContact CD2-CZ 4.17Å; L1187-F1206 HydrophobicContact CG-CE1 4.37Å; L1187-F1206 HydrophobicContact CG-CZ 4.02Å; L1188-F1206 HydrophobicContact CB-CE2 3.83Å; L1188-F1206 HydrophobicContact CB-CZ 3.95Å; L1188-F1206 HydrophobicContact CD1-CD2 4.42Å; L1188-F1206 HydrophobicContact CD1-CE2 4.03Å; L1188-F1206 HydrophobicContact CD1-CZ 4.13Å; L1188-F1206 HydrophobicContact CG-CE2 4.49Å; F1206-W1276 HydrophobicContact CB-CB 4.24Å; F1206-W1276 VanDerWaalsContact O-CA 3.31Å; F1206-W1276 WeakPolarHBondContact O-CA 3.43Å; F1206-V1279 HydrophobicContact CB-CG1 4.33Å; F1206-V1279 HydrophobicContact CD1-CG1 4.47Å; F1206-V1279 VanDerWaalsContact O-CB 3.26Å; F1206-V1279 WeakPolarHBondContact O-CB 3.37Å; F1206-V1279 WeakPolarHBondContact O-CG1 3.45Å; F1206-M1280 HydrophobicContact CB-CB 4.46Å; F1206-M1280 HydrophobicContact CD1-SD 4.41Å; F1206-M1280 HydrophobicContact CD2-SD 3.67Å; F1206-M1280 HydrophobicContact CE1-SD 4.19Å; F1206-M1280 HydrophobicContact CE2-SD 3.41Å; F1206-M1280 WeakPolarHBondContact CE2-SD 3.31Å; F1206-M1280 HydrophobicContact CG-CB 4.32Å; F1206-M1280 HydrophobicContact CG-SD 4.17Å; F1206-M1280 HydrophobicContact CZ-SD 3.69Å; F1206-I1283 HydrophobicContact CE1-CB 4.47Å; F1206-I1283 HydrophobicContact CE1-CG2 4.14Å
1207S91.8Very high91Very high7 Ų734.7 Ų34.75%0.04921%0.205CC..SBendtrans-126.5-99.1179.861.10000111.5N1205 S1209 W1210 R1273 P1274N1205-S1207 VanDerWaalsContact OD1-CA 3.26Å; N1205-S1207 WeakPolarHBondContact OD1-CA 3.44Å; N1205-S1207 WeakPolarHBondContact OD1-CB 3.38Å; N1205-S1207 PolarHBondContact OD1-N 3.47Å; N1205-S1207 PolarHBondContact OD1-OG 3.17Å; S1207-S1209 VanDerWaalsContact C-N 3.25Å; S1207-S1209 PolarHBondContact O-N 2.69Å; S1207-S1209 VanDerWaalsContact O-N 3.14Å; S1207-W1210 PolarHBondContact O-N 3.03Å; S1207-R1273 PolarHBondContact OG-NE 2.92Å; S1207-P1274 VanDerWaalsContact CB-O 3.24Å; S1207-P1274 WeakPolarHBondContact CB-O 3.35Å
1208S91.4Very high91.4Very high51 Ų5131 Ų3136%0.35717%0.167SC..G310 helixtrans-56.7-30.3-176.354.80000114.8N1205 W1210 N1211N1205-S1208 PolarHBondContact ND2-OG 2.9Å; N1205-S1208 PolarHBondContact OD1-N 3.33Å; N1205-S1208 PolarHBondContact OD1-OG 2.83Å; S1208-W1210 PolarHBondContact O-N 3.48Å; S1208-W1210 VanDerWaalsContact O-N 3.09Å; S1208-N1211 WeakPolarHBondContact O-CB 3.41Å; S1208-N1211 PolarHBondContact O-N 2.81Å; S1208-N1211 PolarHBondContact O-ND2 3.01Å; S1208-N1211 PolarHBondContact O-OD1 2.88Å
1209S92.6Very high91.6Very high17 Ų1729.1 Ų29.112%0.11916%0.16CC..G310 helixtrans-61.2-16.3174.6-78.30000114.2E1202 T1204 N1205 S1207 A1215E1202-S1209 WeakPolarHBondContact O-CB 3.19Å; E1202-S1209 PolarHBondContact O-OG 2.81Å; T1204-S1209 PolarHBondContact N-OG 2.88Å; T1204-S1209 PolarHBondContact OG1-OG 3.42Å; N1205-S1209 PolarHBondContact ND2-OG 2.83Å; S1207-S1209 VanDerWaalsContact C-N 3.25Å; S1207-S1209 PolarHBondContact O-N 2.69Å; S1207-S1209 VanDerWaalsContact O-N 3.14Å; S1209-A1215 WeakPolarHBondContact O-CB 3.03Å
1210W93.4Very high92Very high0 Ų022.6 Ų22.60%014%0.136CC..G310 helixtrans-111-1-178.2-54.883.9000113C1191 V1203 N1205 S1207 S1208 N1212 G1213 A1215 F1216 L1219 F1247 V1279 I1283C1191-W1210 HydrophobicContact CB-CH2 4.26Å; C1191-W1210 HydrophobicContact CB-CZ2 4.1Å; V1203-W1210 HydrophobicContact CG1-CZ2 3.62Å; V1203-W1210 HydrophobicContact CG2-CH2 4.36Å; V1203-W1210 HydrophobicContact CG2-CZ2 4.02Å; N1205-W1210 VanDerWaalsContact O-CD1 3.24Å; N1205-W1210 PolarHBondContact O-NE1 3.26Å; S1207-W1210 PolarHBondContact O-N 3.03Å; S1208-W1210 PolarHBondContact O-N 3.48Å; S1208-W1210 VanDerWaalsContact O-N 3.09Å; W1210-N1212 PolarHBondContact O-N 3.28Å; W1210-G1213 PolarHBondContact O-N 3.11Å; W1210-A1215 HydrophobicContact CD2-CB 3.78Å; W1210-A1215 HydrophobicContact CE3-CB 3.38Å; W1210-A1215 HydrophobicContact CG-CB 4.35Å; W1210-A1215 HydrophobicContact CH2-CB 4.4Å; W1210-A1215 VanDerWaalsContact CZ3-C 3.46Å; W1210-A1215 HydrophobicContact CZ3-CB 3.72Å; W1210-A1215 WeakPolarHBondContact CZ3-O 3.5Å; W1210-F1216 HydrophobicContact CB-CD2 4.41Å; W1210-F1216 HydrophobicContact CB-CE2 3.68Å; W1210-F1216 HydrophobicContact CB-CZ 3.91Å; W1210-F1216 HydrophobicContact CD2-CE1 4.29Å; W1210-F1216 HydrophobicContact CD2-CE2 4.49Å; W1210-F1216 HydrophobicContact CD2-CZ 4.22Å; W1210-F1216 AromaticContact CE3-CD1 3.57Å; W1210-F1216 HydrophobicContact CE3-CD1 3.57Å; W1210-F1216 AromaticContact CE3-CD2 3.99Å; W1210-F1216 HydrophobicContact CE3-CD2 3.99Å; W1210-F1216 AromaticContact CE3-CE1 3.58Å; W1210-F1216 HydrophobicContact CE3-CE1 3.58Å; W1210-F1216 HydrophobicContact CE3-CE2 4.01Å; W1210-F1216 AromaticContact CE3-CG 3.77Å; W1210-F1216 HydrophobicContact CE3-CG 3.77Å; W1210-F1216 AromaticContact CE3-CZ 3.81Å; W1210-F1216 HydrophobicContact CE3-CZ 3.81Å; W1210-F1216 HydrophobicContact CG-CE2 4.42Å; W1210-F1216 HydrophobicContact CG-CZ 4.28Å; W1210-F1216 AromaticContact CZ3-CD1 3.82Å; W1210-F1216 HydrophobicContact CZ3-CD1 3.82Å; W1210-F1216 HydrophobicContact CZ3-CE1 4.1Å; W1210-F1216 HydrophobicContact CZ3-CG 4.22Å; W1210-L1219 HydrophobicContact CH2-CD2 4.15Å; W1210-L1219 HydrophobicContact CZ3-CD2 4.39Å; W1210-F1247 WeakPolarHBondContact O-CE1 3.27Å; W1210-F1247 WeakPolarHBondContact O-CZ 3.19Å; W1210-V1279 HydrophobicContact CB-CG1 4.28Å; W1210-V1279 HydrophobicContact CD2-CG1 4.29Å; W1210-V1279 HydrophobicContact CG-CG1 3.9Å; W1210-I1283 HydrophobicContact CE3-CD1 4.01Å; W1210-I1283 HydrophobicContact CH2-CD1 3.53Å; W1210-I1283 HydrophobicContact CH2-CG1 4.15Å; W1210-I1283 HydrophobicContact CZ2-CD1 4.17Å; W1210-I1283 HydrophobicContact CZ2-CG1 4.3Å; W1210-I1283 HydrophobicContact CZ3-CD1 3.43Å; W1210-I1283 VanDerWaalsContact CZ3-CD1 3.43Å; W1210-I1283 HydrophobicContact CZ3-CG1 4.31Å
1211N90.8Very high92.5Very high31 Ų3122.4 Ų22.417%0.16612%0.123CC..THydrogen-bonded Turntrans-70.22.8-174.281.22.7000115.5S1208 K1243 E1272 P1274S1208-N1211 WeakPolarHBondContact O-CB 3.41Å; S1208-N1211 PolarHBondContact O-N 2.81Å; S1208-N1211 PolarHBondContact O-ND2 3.01Å; S1208-N1211 PolarHBondContact O-OD1 2.88Å; N1211-K1243 PolarHBondContact O-NZ 3.3Å; N1211-E1272 VanDerWaalsContact CB-O 3.24Å; N1211-E1272 WeakPolarHBondContact CB-O 3.34Å; N1211-E1272 PolarHBondContact ND2-O 3.36Å; N1211-P1274 HydrophobicContact CB-CG 4.29Å
1212N88.3Confident92.5Very high28 Ų2823.3 Ų23.315%0.1513%0.128CC..THydrogen-bonded Turntrans-1252.5-169.373.6-1.4000113W1210 L1214 P1240W1210-N1212 PolarHBondContact O-N 3.28Å; N1212-L1214 PolarHBondContact O-N 2.97Å; N1212-L1214 PolarHBondContact OD1-N 2.7Å; N1212-L1214 VanDerWaalsContact OD1-N 3.12Å; N1212-P1240 HydrophobicContact CB-CG 3.74Å; N1212-P1240 WeakPolarHBondContact O-CG 3.5Å
1213G89.9Confident92.5Very high0 Ų018.4 Ų18.40%010%0.104CC..SBendtrans71.3-31.3-177.200000115.5W1210 A1215 F1216 C1217W1210-G1213 PolarHBondContact O-N 3.11Å; G1213-A1215 VanDerWaalsContact C-N 3.31Å; G1213-A1215 PolarHBondContact O-N 3.37Å; G1213-F1216 PolarHBondContact O-N 3.17Å; G1213-F1216 VanDerWaalsContact O-N 3.12Å; G1213-C1217 PolarHBondContact O-N 2.96Å; G1213-C1217 PolarHBondContact O-SG 2.92Å; G1213-C1217 VanDerWaalsContact O-SG 3.4Å
1214L92Very high92.3Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-60.2-34.1-175.3-71.9-179000113.8V1201 N1212 C1217 A1218 W1230 L1233 P1240V1201-L1214 HydrophobicContact CG2-CB 3.88Å; N1212-L1214 PolarHBondContact O-N 2.97Å; N1212-L1214 PolarHBondContact OD1-N 2.7Å; N1212-L1214 VanDerWaalsContact OD1-N 3.12Å; L1214-C1217 PolarHBondContact O-N 2.91Å; L1214-A1218 VanDerWaalsContact O-CB 3.26Å; L1214-A1218 WeakPolarHBondContact O-CB 3.42Å; L1214-A1218 PolarHBondContact O-N 3.47Å; L1214-W1230 HydrophobicContact CB-CH2 4.37Å; L1214-W1230 HydrophobicContact CD2-CH2 4.12Å; L1214-W1230 HydrophobicContact CD2-CZ3 4.2Å; L1214-L1233 HydrophobicContact CD2-CB 4.24Å; L1214-P1240 HydrophobicContact CD1-CB 4.02Å; L1214-P1240 HydrophobicContact CD1-CG 3.73Å; L1214-P1240 HydrophobicContact CD2-CB 4.41Å; L1214-P1240 HydrophobicContact CG-CB 3.93Å; L1214-P1240 HydrophobicContact CG-CG 3.87Å
1215A94.4Very high92Very high0 Ų019 Ų190%011%0.108CC..Hα-helixtrans-65.8-37.6177.100000112.6V1201 V1203 S1209 W1210 G1213 L1219V1201-A1215 HydrophobicContact CG1-CB 4.13Å; V1203-A1215 HydrophobicContact CG2-CB 4.05Å; S1209-A1215 WeakPolarHBondContact O-CB 3.03Å; W1210-A1215 HydrophobicContact CD2-CB 3.78Å; W1210-A1215 HydrophobicContact CE3-CB 3.38Å; W1210-A1215 HydrophobicContact CG-CB 4.35Å; W1210-A1215 HydrophobicContact CH2-CB 4.4Å; W1210-A1215 VanDerWaalsContact CZ3-C 3.46Å; W1210-A1215 HydrophobicContact CZ3-CB 3.72Å; W1210-A1215 WeakPolarHBondContact CZ3-O 3.5Å; G1213-A1215 VanDerWaalsContact C-N 3.31Å; G1213-A1215 PolarHBondContact O-N 3.37Å; A1215-L1219 WeakPolarHBondContact O-CB 3.38Å; A1215-L1219 PolarHBondContact O-N 3.32Å; A1215-L1219 VanDerWaalsContact O-N 3.09Å
1216F94Very high91.7Very high4 Ų422.6 Ų22.62%0.01814%0.136CC..Hα-helixtrans-68.5-45172.6-64.7-71.6000111.2W1210 G1213 A1218 L1219 L1220 F1247 A1250 L1263 V1279 Y1282 I1283W1210-F1216 HydrophobicContact CB-CD2 4.41Å; W1210-F1216 HydrophobicContact CB-CE2 3.68Å; W1210-F1216 HydrophobicContact CB-CZ 3.91Å; W1210-F1216 HydrophobicContact CD2-CE1 4.29Å; W1210-F1216 HydrophobicContact CD2-CE2 4.49Å; W1210-F1216 HydrophobicContact CD2-CZ 4.22Å; W1210-F1216 AromaticContact CE3-CD1 3.57Å; W1210-F1216 HydrophobicContact CE3-CD1 3.57Å; W1210-F1216 AromaticContact CE3-CD2 3.99Å; W1210-F1216 HydrophobicContact CE3-CD2 3.99Å; W1210-F1216 AromaticContact CE3-CE1 3.58Å; W1210-F1216 HydrophobicContact CE3-CE1 3.58Å; W1210-F1216 HydrophobicContact CE3-CE2 4.01Å; W1210-F1216 AromaticContact CE3-CG 3.77Å; W1210-F1216 HydrophobicContact CE3-CG 3.77Å; W1210-F1216 AromaticContact CE3-CZ 3.81Å; W1210-F1216 HydrophobicContact CE3-CZ 3.81Å; W1210-F1216 HydrophobicContact CG-CE2 4.42Å; W1210-F1216 HydrophobicContact CG-CZ 4.28Å; W1210-F1216 AromaticContact CZ3-CD1 3.82Å; W1210-F1216 HydrophobicContact CZ3-CD1 3.82Å; W1210-F1216 HydrophobicContact CZ3-CE1 4.1Å; W1210-F1216 HydrophobicContact CZ3-CG 4.22Å; G1213-F1216 PolarHBondContact O-N 3.17Å; G1213-F1216 VanDerWaalsContact O-N 3.12Å; F1216-A1218 VanDerWaalsContact C-N 3.34Å; F1216-A1218 PolarHBondContact O-N 3.05Å; F1216-L1219 PolarHBondContact O-N 2.79Å; F1216-L1220 WeakPolarHBondContact O-CG 3.37Å; F1216-L1220 PolarHBondContact O-N 2.91Å; F1216-F1247 HydrophobicContact CD2-CD1 4.14Å; F1216-F1247 AromaticContact CD2-CE1 3.9Å; F1216-F1247 HydrophobicContact CD2-CE1 3.9Å; F1216-F1247 HydrophobicContact CE2-CD1 4.36Å; F1216-F1247 AromaticContact CE2-CE1 3.83Å; F1216-F1247 HydrophobicContact CE2-CE1 3.83Å; F1216-A1250 HydrophobicContact CB-CB 3.68Å; F1216-L1263 HydrophobicContact CE1-CD1 4.09Å; F1216-L1263 HydrophobicContact CE2-CD1 4.44Å; F1216-L1263 HydrophobicContact CZ-CD1 3.64Å; F1216-V1279 HydrophobicContact CE1-CG1 4.49Å; F1216-V1279 HydrophobicContact CZ-CG1 4.06Å; F1216-V1279 HydrophobicContact CZ-CG2 4.48Å; F1216-Y1282 HydrophobicContact CD1-CD1 4.2Å; F1216-Y1282 AromaticContact CD1-CE1 3.95Å; F1216-Y1282 HydrophobicContact CD1-CE1 3.95Å; F1216-Y1282 AromaticContact CE1-CD1 3.67Å; F1216-Y1282 HydrophobicContact CE1-CD1 3.67Å; F1216-Y1282 AromaticContact CE1-CE1 3.89Å; F1216-Y1282 HydrophobicContact CE1-CE1 3.89Å; F1216-Y1282 HydrophobicContact CZ-CD1 4.45Å; F1216-I1283 HydrophobicContact CD1-CD1 3.74Å; F1216-I1283 HydrophobicContact CE1-CD1 3.53Å; F1216-I1283 HydrophobicContact CE1-CG1 4.04Å
1217C93.1Very high91.4Very high0 Ų026.2 Ų26.20%015%0.152CC..Hα-helixtrans-58-44.8176-65.20000111.9G1213 L1214 H1221 I1228 W1230 L1233 C1246G1213-C1217 PolarHBondContact O-N 2.96Å; G1213-C1217 PolarHBondContact O-SG 2.92Å; G1213-C1217 VanDerWaalsContact O-SG 3.4Å; L1214-C1217 PolarHBondContact O-N 2.91Å; C1217-H1221 WeakPolarHBondContact O-CB 3.19Å; C1217-H1221 PolarHBondContact O-N 3.01Å; C1217-I1228 HydrophobicContact CB-CG2 4.24Å; C1217-W1230 HydrophobicContact CB-CE3 4.3Å; C1217-W1230 HydrophobicContact CB-CZ3 3.93Å; C1217-L1233 HydrophobicContact CB-CD1 4.44Å; C1217-C1246 PolarHBondContact SG-O 2.93Å
1218A94.2Very high91.3Very high0 Ų026.1 Ų26.10%015%0.151CC..Hα-helixtrans-65.2-44.4179.500000111.8V1195 Y1198 V1201 L1214 F1216 H1221 T1222 W1230V1195-A1218 HydrophobicContact CB-CB 4.21Å; V1195-A1218 HydrophobicContact CG1-CB 3.95Å; Y1198-A1218 HydrophobicContact CD1-CB 3.6Å; Y1198-A1218 HydrophobicContact CD2-CB 4.3Å; Y1198-A1218 HydrophobicContact CE1-CB 4.16Å; Y1198-A1218 HydrophobicContact CG-CB 3.68Å; V1201-A1218 HydrophobicContact CG1-CB 4.28Å; V1201-A1218 HydrophobicContact CG2-CB 4.04Å; L1214-A1218 VanDerWaalsContact O-CB 3.26Å; L1214-A1218 WeakPolarHBondContact O-CB 3.42Å; L1214-A1218 PolarHBondContact O-N 3.47Å; F1216-A1218 VanDerWaalsContact C-N 3.34Å; F1216-A1218 PolarHBondContact O-N 3.05Å; A1218-H1221 PolarHBondContact O-N 3.42Å; A1218-T1222 WeakPolarHBondContact O-CG2 3.46Å; A1218-T1222 PolarHBondContact O-N 2.97Å; A1218-W1230 HydrophobicContact CB-CH2 3.91Å; A1218-W1230 HydrophobicContact CB-CZ3 3.77Å
1219L94.8Very high91.1Very high2 Ų226.2 Ų26.21%0.0115%0.15CC..Hα-helixtrans-61.3-49.3178.4-177.563.2000111.2W1190 R1194 V1195 W1210 A1215 F1216 T1222 Y1223 I1283 V1286W1190-L1219 HydrophobicContact CH2-CD1 3.87Å; W1190-L1219 HydrophobicContact CH2-CD2 3.94Å; W1190-L1219 HydrophobicContact CH2-CG 4.33Å; W1190-L1219 HydrophobicContact CZ2-CD1 4.39Å; W1190-L1219 HydrophobicContact CZ3-CD1 3.96Å; W1190-L1219 HydrophobicContact CZ3-CD2 3.8Å; W1190-L1219 HydrophobicContact CZ3-CG 4.48Å; R1194-L1219 HydrophobicContact CB-CD1 3.69Å; R1194-L1219 HydrophobicContact CG-CD1 4.24Å; V1195-L1219 HydrophobicContact CG1-CB 4.16Å; W1210-L1219 HydrophobicContact CH2-CD2 4.15Å; W1210-L1219 HydrophobicContact CZ3-CD2 4.39Å; A1215-L1219 WeakPolarHBondContact O-CB 3.38Å; A1215-L1219 PolarHBondContact O-N 3.32Å; A1215-L1219 VanDerWaalsContact O-N 3.09Å; F1216-L1219 PolarHBondContact O-N 2.79Å; L1219-T1222 WeakPolarHBondContact O-CB 3.27Å; L1219-T1222 PolarHBondContact O-N 3.37Å; L1219-T1222 PolarHBondContact O-OG1 3.48Å; L1219-Y1223 HydrophobicContact CD1-CE2 4.48Å; L1219-Y1223 WeakPolarHBondContact O-CD2 3.28Å; L1219-I1283 HydrophobicContact CD2-CD1 3.73Å; L1219-I1283 HydrophobicContact CD2-CG2 4.48Å; L1219-V1286 HydrophobicContact CD2-CG1 4.02Å; L1219-V1286 HydrophobicContact CG-CG1 4.45Å
1220L92.7Very high90.8Very high3 Ų326.7 Ų26.72%0.01615%0.15CC..Hα-helixtrans-67.4-36.3179.8-68.3169.5000112.4F1216 T1222 Y1223 V1224 I1228 A1250 A1254 V1286 Y1290F1216-L1220 WeakPolarHBondContact O-CG 3.37Å; F1216-L1220 PolarHBondContact O-N 2.91Å; L1220-T1222 PolarHBondContact O-N 2.94Å; L1220-T1222 VanDerWaalsContact O-N 3.15Å; L1220-Y1223 PolarHBondContact O-N 3.06Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.45Å; L1220-V1224 PolarHBondContact O-N 3.15Å; L1220-I1228 HydrophobicContact CB-CD1 3.39Å; L1220-I1228 HydrophobicContact CD1-CD1 4.48Å; L1220-A1250 HydrophobicContact CD1-CB 4.2Å; L1220-A1250 WeakPolarHBondContact CD1-O 3.44Å; L1220-A1254 HydrophobicContact CD1-CB 4.24Å; L1220-V1286 HydrophobicContact CD2-CG1 4.11Å; L1220-Y1290 HydrophobicContact CD2-CE2 3.84Å
1221H93Very high90.4Very high40 Ų4033 Ų3319%0.18518%0.184CC..Hα-helixtrans-64.6-15.8175.8-175.9-78.7000112.8Y1198 C1217 A1218 Y1223 P1225 I1228Y1198-H1221 HydrophobicContact CE1-CB 4.07Å; Y1198-H1221 AromaticContact CE1-CG 3.96Å; Y1198-H1221 AromaticContact CE1-ND1 3.45Å; Y1198-H1221 WeakPolarHBondContact CE1-ND1 3.4Å; Y1198-H1221 AromaticContact CZ-ND1 3.59Å; Y1198-H1221 PolarHBondContact OH-ND1 2.89Å; Y1198-H1221 PolarHBondContact OH-O 3.46Å; C1217-H1221 WeakPolarHBondContact O-CB 3.19Å; C1217-H1221 PolarHBondContact O-N 3.01Å; A1218-H1221 PolarHBondContact O-N 3.42Å; H1221-Y1223 VanDerWaalsContact C-N 3.27Å; H1221-Y1223 PolarHBondContact O-N 2.91Å; H1221-P1225 WeakPolarHBondContact O-CB 3.32Å; H1221-P1225 WeakPolarHBondContact O-CD 3.14Å; H1221-I1228 HydrophobicContact CB-CB 4.26Å; H1221-I1228 HydrophobicContact CB-CD1 4.32Å; H1221-I1228 HydrophobicContact CB-CG2 4.21Å; H1221-I1228 PolarHBondContact CD2-O 3.09Å
1222T91.8Very high90.2Very high39 Ų3935.9 Ų35.924%0.23920%0.199CC..THydrogen-bonded Turntrans-72.3-19.2171.168.30000113.8R1194 Y1198 A1218 L1219 L1220R1194-T1222 HydrophobicContact CB-CG2 4.36Å; R1194-T1222 WeakPolarHBondContact O-CG2 3.49Å; Y1198-T1222 HydrophobicContact CE2-CG2 3.64Å; Y1198-T1222 WeakPolarHBondContact OH-CG2 3.44Å; Y1198-T1222 PolarHBondContact OH-N 2.96Å; A1218-T1222 WeakPolarHBondContact O-CG2 3.46Å; A1218-T1222 PolarHBondContact O-N 2.97Å; L1219-T1222 WeakPolarHBondContact O-CB 3.27Å; L1219-T1222 PolarHBondContact O-N 3.37Å; L1219-T1222 PolarHBondContact O-OG1 3.48Å; L1220-T1222 PolarHBondContact O-N 2.94Å; L1220-T1222 VanDerWaalsContact O-N 3.15Å
1223Y89.7Confident90Very high49 Ų4934.7 Ų34.719%0.19219%0.192CC..THydrogen-bonded Turntrans-108.3-46.4178.1-56.2-75.3000111.6W1190 R1194 L1219 L1220 H1221 P1225 Y1290 E1291W1190-Y1223 VanDerWaalsContact CZ2-OH 3.22Å; W1190-Y1223 WeakPolarHBondContact CZ2-OH 3.45Å; R1194-Y1223 WeakPolarHBondContact CD-OH 3.49Å; R1194-Y1223 PolarHBondContact NE-OH 3.11Å; L1219-Y1223 HydrophobicContact CD1-CE2 4.48Å; L1219-Y1223 WeakPolarHBondContact O-CD2 3.28Å; L1220-Y1223 PolarHBondContact O-N 3.06Å; H1221-Y1223 VanDerWaalsContact C-N 3.27Å; H1221-Y1223 PolarHBondContact O-N 2.91Å; Y1223-P1225 VanDerWaalsContact C-CD 3.41Å; Y1223-P1225 VanDerWaalsContact O-CD 3.3Å; Y1223-P1225 WeakPolarHBondContact O-CD 3.43Å; Y1223-Y1290 VanDerWaalsContact CB-CE1 3.44Å; Y1223-Y1290 AromaticContact CD1-CD1 3.72Å; Y1223-Y1290 HydrophobicContact CD1-CD1 3.72Å; Y1223-Y1290 HydrophobicContact CD1-CE1 4.4Å; Y1223-Y1290 AromaticContact CD1-CG 3.87Å; Y1223-Y1290 HydrophobicContact CD1-CG 3.87Å; Y1223-Y1290 HydrophobicContact CD2-CD1 4.04Å; Y1223-Y1290 AromaticContact CD2-CD2 3.71Å; Y1223-Y1290 HydrophobicContact CD2-CD2 3.71Å; Y1223-Y1290 HydrophobicContact CD2-CE1 4.31Å; Y1223-Y1290 HydrophobicContact CD2-CE2 4.01Å; Y1223-Y1290 AromaticContact CD2-CG 3.72Å; Y1223-Y1290 HydrophobicContact CD2-CG 3.72Å; Y1223-Y1290 HydrophobicContact CE1-CD1 4.4Å; Y1223-Y1290 HydrophobicContact CE1-CG 4.13Å; Y1223-Y1290 AromaticContact CE2-CD2 4Å; Y1223-Y1290 HydrophobicContact CE2-CD2 4Å; Y1223-Y1290 AromaticContact CE2-CG 3.99Å; Y1223-Y1290 HydrophobicContact CE2-CG 3.99Å; Y1223-Y1290 AromaticContact CG-CD1 3.52Å; Y1223-Y1290 HydrophobicContact CG-CD1 3.52Å; Y1223-Y1290 HydrophobicContact CG-CD2 4.09Å; Y1223-Y1290 AromaticContact CG-CE1 3.82Å; Y1223-Y1290 HydrophobicContact CG-CE1 3.82Å; Y1223-Y1290 HydrophobicContact CG-CE2 4.35Å; Y1223-Y1290 AromaticContact CG-CG 3.66Å; Y1223-Y1290 HydrophobicContact CG-CG 3.66Å; Y1223-E1291 PolarHBondContact OH-OE1 3.25Å
1224V89.5Confident89.8Confident17 Ų1735.7 Ų35.710%0.10320%0.198CC..  trans-123.264.8-176.6-70.70000112.7L1220 S1226 K1227 V1253L1220-V1224 WeakPolarHBondContact O-CG2 3.45Å; L1220-V1224 PolarHBondContact O-N 3.15Å; V1224-S1226 PolarHBondContact O-N 2.91Å; V1224-S1226 VanDerWaalsContact O-N 3.15Å; V1224-K1227 HydrophobicContact CB-CB 4.4Å; V1224-K1227 HydrophobicContact CG2-CB 4.46Å; V1224-K1227 PolarHBondContact O-N 3.27Å; V1224-K1227 VanDerWaalsContact O-N 3.1Å; V1224-V1253 HydrophobicContact CG2-CG1 3.68Å
1225P88.5Confident89.4Confident72 Ų7237.9 Ų37.947%0.46821%0.211SC..THydrogen-bonded Turntrans-62.5-22.4-179.326.4-35.2000113.4H1221 Y1223 K1227H1221-P1225 WeakPolarHBondContact O-CB 3.32Å; H1221-P1225 WeakPolarHBondContact O-CD 3.14Å; Y1223-P1225 VanDerWaalsContact C-CD 3.41Å; Y1223-P1225 VanDerWaalsContact O-CD 3.3Å; Y1223-P1225 WeakPolarHBondContact O-CD 3.43Å; P1225-K1227 VanDerWaalsContact C-N 3.34Å
1226S86.2Confident88.5Confident113 Ų11342.3 Ų42.379%0.7924%0.242SC*.THydrogen-bonded Turntrans-69.9-25.9175.850.30000114V1224V1224-S1226 PolarHBondContact O-N 2.91Å; V1224-S1226 VanDerWaalsContact O-N 3.15Å
1227K87.5Confident87.5Confident78 Ų7848.1 Ų48.134%0.33927%0.273SS..THydrogen-bonded Turntrans-90.6-15.7-178.3-76.1-171.5170.7178.70113.7V1224 P1225 V1253 D1256 E1257V1224-K1227 HydrophobicContact CB-CB 4.4Å; V1224-K1227 HydrophobicContact CG2-CB 4.46Å; V1224-K1227 PolarHBondContact O-N 3.27Å; V1224-K1227 VanDerWaalsContact O-N 3.1Å; P1225-K1227 VanDerWaalsContact C-N 3.34Å; K1227-V1253 HydrophobicContact CB-CG1 3.75Å; K1227-V1253 HydrophobicContact CB-CG2 3.9Å; K1227-V1253 HydrophobicContact CD-CG1 4.04Å; K1227-D1256 PolarHBondContact NZ-O 3.45Å; K1227-E1257 WeakPolarHBondContact CD-OE1 3.21Å; K1227-E1257 WeakPolarHBondContact CE-OE1 3.41Å; K1227-E1257 IonicContact NZ-OE1 2.62Å; K1227-E1257 PolarHBondContact NZ-OE1 3.48Å
1228I89.5Confident86.8Confident4 Ų448.4 Ų48.42%0.02128%0.276CS..  trans-117.8112.1-173.4-67.4172.3000110.4C1217 L1220 H1221 W1230 L1233 I1249 V1253C1217-I1228 HydrophobicContact CB-CG2 4.24Å; L1220-I1228 HydrophobicContact CB-CD1 3.39Å; L1220-I1228 HydrophobicContact CD1-CD1 4.48Å; H1221-I1228 HydrophobicContact CB-CB 4.26Å; H1221-I1228 HydrophobicContact CB-CD1 4.32Å; H1221-I1228 HydrophobicContact CB-CG2 4.21Å; H1221-I1228 PolarHBondContact CD2-O 3.09Å; I1228-W1230 VanDerWaalsContact C-N 3.25Å; I1228-W1230 PolarHBondContact O-N 3.43Å; I1228-L1233 HydrophobicContact CG2-CD1 4.17Å; I1228-I1249 HydrophobicContact CG1-CG2 4.3Å; I1228-V1253 HydrophobicContact CD1-CB 4.36Å; I1228-V1253 HydrophobicContact CD1-CG1 3.99Å; I1228-V1253 HydrophobicContact CG1-CB 4.23Å; I1228-V1253 HydrophobicContact CG1-CG1 4.01Å; I1228-V1253 HydrophobicContact CG1-CG2 3.94Å
1229P87.4Confident86.1Confident53 Ų5353.7 Ų53.734%0.34430%0.304SS..  trans-79.170-178.133.5-36.3000111.2N1231 D1232 I1249P1229-N1231 VanDerWaalsContact C-N 3.3Å; P1229-N1231 PolarHBondContact O-N 3.23Å; P1229-N1231 VanDerWaalsContact O-N 3.12Å; P1229-D1232 HydrophobicContact CB-CB 4.23Å; P1229-D1232 WeakPolarHBondContact O-CB 3.44Å; P1229-D1232 PolarHBondContact O-N 2.9Å; P1229-I1249 HydrophobicContact CG-CD1 4.44Å
1230W87Confident85.5Confident27 Ų2754.8 Ų54.810%0.10231%0.311CS..G310 helixtrans-49.6-44.5-168.5179-100.4000114.6Y1198 V1201 L1214 C1217 A1218 I1228 D1232 L1233 I1234Y1198-W1230 AromaticContact CD1-CD2 3.97Å; Y1198-W1230 HydrophobicContact CD1-CD2 3.97Å; Y1198-W1230 AromaticContact CD1-CE2 3.8Å; Y1198-W1230 HydrophobicContact CD1-CE3 4.05Å; Y1198-W1230 AromaticContact CD1-CH2 3.9Å; Y1198-W1230 HydrophobicContact CD1-CH2 3.9Å; Y1198-W1230 AromaticContact CD1-CZ2 3.78Å; Y1198-W1230 HydrophobicContact CD1-CZ2 3.78Å; Y1198-W1230 HydrophobicContact CD1-CZ3 4.02Å; Y1198-W1230 HydrophobicContact CE1-CD2 4.28Å; Y1198-W1230 HydrophobicContact CE1-CE3 4.31Å; Y1198-W1230 HydrophobicContact CG-CZ2 4.45Å; V1201-W1230 HydrophobicContact CG2-CH2 3.76Å; V1201-W1230 HydrophobicContact CG2-CZ2 4.47Å; L1214-W1230 HydrophobicContact CB-CH2 4.37Å; L1214-W1230 HydrophobicContact CD2-CH2 4.12Å; L1214-W1230 HydrophobicContact CD2-CZ3 4.2Å; C1217-W1230 HydrophobicContact CB-CE3 4.3Å; C1217-W1230 HydrophobicContact CB-CZ3 3.93Å; A1218-W1230 HydrophobicContact CB-CH2 3.91Å; A1218-W1230 HydrophobicContact CB-CZ3 3.77Å; I1228-W1230 VanDerWaalsContact C-N 3.25Å; I1228-W1230 PolarHBondContact O-N 3.43Å; W1230-D1232 PolarHBondContact O-N 2.87Å; W1230-L1233 PolarHBondContact O-N 3.22Å; W1230-I1234 HydrophobicContact CZ2-CD1 3.92Å; W1230-I1234 WeakPolarHBondContact O-CG2 3.24Å
1231N84.6Confident85Confident133 Ų13359.5 Ų59.571%0.71134%0.335SS*.G310 helixtrans-65.4-25.3-178.8-64.7-30.5000113.4P1229 L1233P1229-N1231 VanDerWaalsContact C-N 3.3Å; P1229-N1231 PolarHBondContact O-N 3.23Å; P1229-N1231 VanDerWaalsContact O-N 3.12Å; N1231-L1233 VanDerWaalsContact C-N 3.33Å
1232D86.3Confident84.7Confident92 Ų9261 Ų6149%0.49235%0.345SS..G310 helixtrans-87.8-3.4-179-64-0.2000112.9P1229 W1230 R1245P1229-D1232 HydrophobicContact CB-CB 4.23Å; P1229-D1232 WeakPolarHBondContact O-CB 3.44Å; P1229-D1232 PolarHBondContact O-N 2.9Å; W1230-D1232 PolarHBondContact O-N 2.87Å; D1232-R1245 PolarHBondContact O-NH1 3.37Å
1233L84.7Confident84.6Confident2 Ų262.9 Ų62.91%0.0135%0.349CS..THydrogen-bonded Turntrans-106.2-18.6-179.1-57.7-179.9000112.3L1214 C1217 I1228 W1230 N1231 P1240 I1241 R1245 I1249L1214-L1233 HydrophobicContact CD2-CB 4.24Å; C1217-L1233 HydrophobicContact CB-CD1 4.44Å; I1228-L1233 HydrophobicContact CG2-CD1 4.17Å; W1230-L1233 PolarHBondContact O-N 3.22Å; N1231-L1233 VanDerWaalsContact C-N 3.33Å; L1233-P1240 WeakPolarHBondContact O-CA 3.23Å; L1233-I1241 PolarHBondContact O-N 3.36Å; L1233-R1245 HydrophobicContact CD2-CG 4.12Å; L1233-I1249 HydrophobicContact CD1-CD1 4.37Å; L1233-I1249 HydrophobicContact CD1-CG2 4.46Å; L1233-I1249 HydrophobicContact CD2-CD1 3.66Å
1234I85.8Confident84.5Confident22 Ų2266.1 Ų66.111%0.11336%0.361CS..BIsolated β-bridgetrans-112.1127.6-173.7-164.2172.7000112.4R1199 W1230R1199-I1234 HydrophobicContact CB-CD1 3.96Å; R1199-I1234 HydrophobicContact CG-CD1 4.24Å; R1199-I1234 WeakPolarHBondContact O-CD1 3.32Å; W1230-I1234 HydrophobicContact CZ2-CD1 3.92Å; W1230-I1234 WeakPolarHBondContact O-CG2 3.24Å
1235T83Confident84.5Confident45 Ų4569.9 Ų69.928%0.27637%0.374SS..  trans-68.6157.4175.4-500000110.4N1237 G1238 L1239T1235-N1237 PolarHBondContact O-N 2.84Å; T1235-G1238 PolarHBondContact O-N 2.79Å; T1235-L1239 VanDerWaalsContact CB-O 3.24Å; T1235-L1239 WeakPolarHBondContact CB-O 3.36Å; T1235-L1239 PolarHBondContact N-O 3.3Å; T1235-L1239 PolarHBondContact OG1-O 3.34Å
1236S74.3Confident84.6Confident93 Ų9366.4 Ų66.465%0.6535%0.351SS*.THydrogen-bonded Turntrans-49.7-18.7170.156.60000115.1R1199R1199-S1236 PolarHBondContact NH1-O 3.42Å; R1199-S1236 PolarHBondContact NH2-O 2.74Å
1237N75Confident84.9Confident127 Ų12761 Ų6168%0.67931%0.314SS*.THydrogen-bonded Turntrans-99.4-2.5177.6-65.3-11000114.8T1235T1235-N1237 PolarHBondContact O-N 2.84Å
1238G76.5Confident85.1Confident5 Ų561 Ų615%0.05232%0.315CS..SBendtrans88.314.9-177.900000115.6G1200 T1235G1200-G1238 VanDerWaalsContact CA-O 3.3Å; G1200-G1238 WeakPolarHBondContact CA-O 3.35Å; T1235-G1238 PolarHBondContact O-N 2.79Å
1239L80.1Confident85.2Confident112 Ų11262.5 Ų62.559%0.58632%0.322SS*.SBendtrans-102.7154.6176.2-67.3173.8000110.9T1235 I1241T1235-L1239 VanDerWaalsContact CB-O 3.24Å; T1235-L1239 WeakPolarHBondContact CB-O 3.36Å; T1235-L1239 PolarHBondContact N-O 3.3Å; T1235-L1239 PolarHBondContact OG1-O 3.34Å; L1239-I1241 PolarHBondContact O-N 2.86Å
1240P82.5Confident85.4Confident25 Ų2560 Ų6016%0.16231%0.306CS..BIsolated β-bridgetrans-62.4137.4175.2-2.412000110.1N1212 L1214 L1233 D1242 K1243N1212-P1240 HydrophobicContact CB-CG 3.74Å; N1212-P1240 WeakPolarHBondContact O-CG 3.5Å; L1214-P1240 HydrophobicContact CD1-CB 4.02Å; L1214-P1240 HydrophobicContact CD1-CG 3.73Å; L1214-P1240 HydrophobicContact CD2-CB 4.41Å; L1214-P1240 HydrophobicContact CG-CB 3.93Å; L1214-P1240 HydrophobicContact CG-CG 3.87Å; L1233-P1240 WeakPolarHBondContact O-CA 3.23Å; P1240-D1242 VanDerWaalsContact C-N 3.35Å; P1240-K1243 HydrophobicContact CG-CG 4.42Å
1241I83.2Confident85.7Confident101 Ų10159.3 Ų59.352%0.51830%0.304SS..SBendtrans-67.6-41.3173.6-63.2-179.7000109.9L1233 L1239L1233-I1241 PolarHBondContact O-N 3.36Å; L1239-I1241 PolarHBondContact O-N 2.86Å
1242D86.3Confident86Confident73 Ų7358.8 Ų58.839%0.3930%0.295SS..  trans-145.5125.4168.1169.228.1000109.4P1240 R1244 R1245 C1246P1240-D1242 VanDerWaalsContact C-N 3.35Å; D1242-R1244 VanDerWaalsContact C-N 3.27Å; D1242-R1244 PolarHBondContact O-N 2.84Å; D1242-R1244 WeakPolarHBondContact OD1-CB 3.32Å; D1242-R1244 PolarHBondContact OD1-N 3.47Å; D1242-R1244 WeakPolarHBondContact OD2-CB 3.38Å; D1242-R1245 HydrophobicContact CB-CB 4.09Å; D1242-R1245 VanDerWaalsContact OD2-CB 3.31Å; D1242-R1245 WeakPolarHBondContact OD2-CB 3.48Å; D1242-R1245 PolarHBondContact OD2-N 3.35Å; D1242-C1246 PolarHBondContact O-N 2.89Å; D1242-C1246 PolarHBondContact O-SG 3.3Å
1243K88.5Confident86.3Confident78 Ų7854.7 Ų54.734%0.33927%0.274SS..Hα-helixtrans-59.7-39.3175.7-67.1-172.3174.6-165.80111.5N1211 P1240 C1246 F1247 L1269N1211-K1243 PolarHBondContact O-NZ 3.3Å; P1240-K1243 HydrophobicContact CG-CG 4.42Å; K1243-C1246 WeakPolarHBondContact O-CB 3.2Å; K1243-C1246 PolarHBondContact O-N 3.45Å; K1243-F1247 HydrophobicContact CB-CE2 4.47Å; K1243-F1247 WeakPolarHBondContact O-CD2 3.45Å; K1243-F1247 PolarHBondContact O-N 3.11Å; K1243-L1269 HydrophobicContact CB-CD2 4.09Å
1244R89Confident86.6Confident116 Ų11654.6 Ų54.644%0.43827%0.273SS..Hα-helixtrans-66.3-53.8-175.3175.8172-168.4153.19111.1D1242 C1246 F1247 E1248 L1269D1242-R1244 VanDerWaalsContact C-N 3.27Å; D1242-R1244 PolarHBondContact O-N 2.84Å; D1242-R1244 WeakPolarHBondContact OD1-CB 3.32Å; D1242-R1244 PolarHBondContact OD1-N 3.47Å; D1242-R1244 WeakPolarHBondContact OD2-CB 3.38Å; R1244-C1246 PolarHBondContact O-N 3.41Å; R1244-F1247 PolarHBondContact O-N 2.99Å; R1244-F1247 VanDerWaalsContact O-N 3.1Å; R1244-E1248 HydrophobicContact CG-CG 4.3Å; R1244-E1248 VanDerWaalsContact CG-OE1 3.23Å; R1244-E1248 WeakPolarHBondContact CG-OE1 3.46Å; R1244-E1248 IonicContact CZ-OE1 2.97Å; R1244-E1248 IonicContact NE-OE1 2.74Å; R1244-E1248 PolarHBondContact NE-OE1 3.44Å; R1244-E1248 IonicContact NH2-OE1 2.68Å; R1244-E1248 WeakPolarHBondContact O-CB 3.43Å; R1244-E1248 WeakPolarHBondContact O-CG 3.39Å; R1244-E1248 PolarHBondContact O-N 3.43Å; R1244-L1269 HydrophobicContact CB-CD1 4.05Å; R1244-L1269 HydrophobicContact CB-CD2 4.05Å; R1244-L1269 HydrophobicContact CG-CD1 3.95Å
1245R88.9Confident86.8Confident96 Ų9658.5 Ų58.536%0.36229%0.291SS..Hα-helixtrans-53.7-36.1172.1-175.3174.7176.6-135.3-4.2112.9D1232 L1233 D1242 I1249D1232-R1245 PolarHBondContact O-NH1 3.37Å; L1233-R1245 HydrophobicContact CD2-CG 4.12Å; D1242-R1245 HydrophobicContact CB-CB 4.09Å; D1242-R1245 VanDerWaalsContact OD2-CB 3.31Å; D1242-R1245 WeakPolarHBondContact OD2-CB 3.48Å; D1242-R1245 PolarHBondContact OD2-N 3.35Å; R1245-I1249 HydrophobicContact CG-CD1 3.76Å; R1245-I1249 WeakPolarHBondContact O-CB 3.5Å; R1245-I1249 WeakPolarHBondContact O-CD1 3.4Å; R1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; R1245-I1249 PolarHBondContact O-N 3.46Å
1246C90.8Very high87.2Confident0 Ų060.4 Ų60.40%030%0.299CS..Hα-helixtrans-66.2-46.4175.7-65.30000112.6C1217 D1242 K1243 R1244 A1250C1217-C1246 PolarHBondContact SG-O 2.93Å; D1242-C1246 PolarHBondContact O-N 2.89Å; D1242-C1246 PolarHBondContact O-SG 3.3Å; K1243-C1246 WeakPolarHBondContact O-CB 3.2Å; K1243-C1246 PolarHBondContact O-N 3.45Å; R1244-C1246 PolarHBondContact O-N 3.41Å; C1246-A1250 WeakPolarHBondContact O-CB 3.4Å; C1246-A1250 PolarHBondContact O-N 2.77Å
1247F91.8Very high87.9Confident0 Ų058.8 Ų58.80%028%0.281CS..Hα-helixtrans-66.1-43.9175.4-71.1-65.9000112.4W1210 F1216 K1243 R1244 I1249 A1250 F1251 L1265 M1268 L1269W1210-F1247 WeakPolarHBondContact O-CE1 3.27Å; W1210-F1247 WeakPolarHBondContact O-CZ 3.19Å; F1216-F1247 HydrophobicContact CD2-CD1 4.14Å; F1216-F1247 AromaticContact CD2-CE1 3.9Å; F1216-F1247 HydrophobicContact CD2-CE1 3.9Å; F1216-F1247 HydrophobicContact CE2-CD1 4.36Å; F1216-F1247 AromaticContact CE2-CE1 3.83Å; F1216-F1247 HydrophobicContact CE2-CE1 3.83Å; K1243-F1247 HydrophobicContact CB-CE2 4.47Å; K1243-F1247 WeakPolarHBondContact O-CD2 3.45Å; K1243-F1247 PolarHBondContact O-N 3.11Å; R1244-F1247 PolarHBondContact O-N 2.99Å; R1244-F1247 VanDerWaalsContact O-N 3.1Å; F1247-I1249 VanDerWaalsContact C-N 3.31Å; F1247-I1249 PolarHBondContact O-N 2.93Å; F1247-A1250 PolarHBondContact O-N 3.37Å; F1247-F1251 HydrophobicContact CB-CE2 4.42Å; F1247-F1251 HydrophobicContact CD1-CZ 4.18Å; F1247-F1251 WeakPolarHBondContact O-CB 3.35Å; F1247-F1251 WeakPolarHBondContact O-CG 3.47Å; F1247-F1251 PolarHBondContact O-N 3.18Å; F1247-L1265 HydrophobicContact CB-CD1 3.36Å; F1247-L1265 HydrophobicContact CG-CD1 4.21Å; F1247-M1268 HydrophobicContact CD1-CB 4.33Å; F1247-M1268 HydrophobicContact CE1-CB 3.88Å; F1247-M1268 HydrophobicContact CE1-CG 4.38Å; F1247-M1268 HydrophobicContact CE2-CB 4.19Å; F1247-M1268 HydrophobicContact CZ-CB 3.8Å; F1247-L1269 HydrophobicContact CD2-CD2 3.76Å; F1247-L1269 HydrophobicContact CD2-CG 4.1Å; F1247-L1269 HydrophobicContact CE2-CD2 3.96Å; F1247-L1269 HydrophobicContact CE2-CG 4.4Å
1248E91.8Very high88.5Confident78 Ų7855.5 Ų55.536%0.36428%0.278SS..Hα-helixtrans-61.3-38.5-180-72.9171.2173.700111.7R1244 K1252 L1265R1244-E1248 HydrophobicContact CG-CG 4.3Å; R1244-E1248 VanDerWaalsContact CG-OE1 3.23Å; R1244-E1248 WeakPolarHBondContact CG-OE1 3.46Å; R1244-E1248 IonicContact CZ-OE1 2.97Å; R1244-E1248 IonicContact NE-OE1 2.74Å; R1244-E1248 PolarHBondContact NE-OE1 3.44Å; R1244-E1248 IonicContact NH2-OE1 2.68Å; R1244-E1248 WeakPolarHBondContact O-CB 3.43Å; R1244-E1248 WeakPolarHBondContact O-CG 3.39Å; R1244-E1248 PolarHBondContact O-N 3.43Å; E1248-K1252 WeakPolarHBondContact O-CB 3.36Å; E1248-K1252 PolarHBondContact O-N 3.39Å; E1248-K1252 VanDerWaalsContact O-N 3.08Å; E1248-L1265 HydrophobicContact CG-CD1 4.09Å; E1248-L1265 HydrophobicContact CG-CD2 3.6Å
1249I91.3Very high89.1Confident35 Ų3555.4 Ų55.418%0.17928%0.276CS..Hα-helixtrans-72.2-45173.5-71.9166.9000111.7I1228 P1229 L1233 R1245 F1247 F1251 K1252 V1253I1228-I1249 HydrophobicContact CG1-CG2 4.3Å; P1229-I1249 HydrophobicContact CG-CD1 4.44Å; L1233-I1249 HydrophobicContact CD1-CD1 4.37Å; L1233-I1249 HydrophobicContact CD1-CG2 4.46Å; L1233-I1249 HydrophobicContact CD2-CD1 3.66Å; R1245-I1249 HydrophobicContact CG-CD1 3.76Å; R1245-I1249 WeakPolarHBondContact O-CB 3.5Å; R1245-I1249 WeakPolarHBondContact O-CD1 3.4Å; R1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; R1245-I1249 PolarHBondContact O-N 3.46Å; F1247-I1249 VanDerWaalsContact C-N 3.31Å; F1247-I1249 PolarHBondContact O-N 2.93Å; I1249-F1251 PolarHBondContact O-N 3.4Å; I1249-K1252 PolarHBondContact O-N 3.32Å; I1249-V1253 HydrophobicContact CG2-CG2 4.28Å; I1249-V1253 WeakPolarHBondContact O-CB 3.33Å; I1249-V1253 VanDerWaalsContact O-CG2 3.28Å; I1249-V1253 WeakPolarHBondContact O-CG2 3.37Å; I1249-V1253 PolarHBondContact O-N 3.34Å
1250A91.8Very high89.3Confident0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-62-44.6-179.500000112.4F1216 L1220 C1246 F1247 A1254F1216-A1250 HydrophobicContact CB-CB 3.68Å; L1220-A1250 HydrophobicContact CD1-CB 4.2Å; L1220-A1250 WeakPolarHBondContact CD1-O 3.44Å; C1246-A1250 WeakPolarHBondContact O-CB 3.4Å; C1246-A1250 PolarHBondContact O-N 2.77Å; F1247-A1250 PolarHBondContact O-N 3.37Å; A1250-A1254 WeakPolarHBondContact O-CB 3.31Å; A1250-A1254 PolarHBondContact O-N 2.74Å
1251F93Very high89.4Confident13 Ų1355.3 Ų55.36%0.05728%0.281CS..Hα-helixtrans-69.8-43.8178.5-67-15.4000111.7F1247 I1249 V1253 A1254 E1255 T1261 L1263 L1265 M1268 Y1282F1247-F1251 HydrophobicContact CB-CE2 4.42Å; F1247-F1251 HydrophobicContact CD1-CZ 4.18Å; F1247-F1251 WeakPolarHBondContact O-CB 3.35Å; F1247-F1251 WeakPolarHBondContact O-CG 3.47Å; F1247-F1251 PolarHBondContact O-N 3.18Å; I1249-F1251 PolarHBondContact O-N 3.4Å; F1251-V1253 PolarHBondContact O-N 3.32Å; F1251-A1254 PolarHBondContact O-N 3.4Å; F1251-E1255 WeakPolarHBondContact O-CG 3.4Å; F1251-E1255 PolarHBondContact O-N 3.49Å; F1251-T1261 HydrophobicContact CB-CG2 3.86Å; F1251-T1261 HydrophobicContact CD1-CG2 4.35Å; F1251-T1261 HydrophobicContact CG-CG2 4.16Å; F1251-L1263 HydrophobicContact CE1-CB 4.19Å; F1251-L1263 HydrophobicContact CE1-CD1 4.2Å; F1251-L1263 HydrophobicContact CE2-CB 4.31Å; F1251-L1263 HydrophobicContact CZ-CB 3.65Å; F1251-L1263 HydrophobicContact CZ-CD1 4.11Å; F1251-L1265 HydrophobicContact CE2-CB 4.43Å; F1251-L1265 HydrophobicContact CE2-CD1 4.49Å; F1251-M1268 HydrophobicContact CZ-CG 4.33Å; F1251-Y1282 HydrophobicContact CD1-CE1 4.18Å; F1251-Y1282 AromaticContact CE1-CE1 3.88Å; F1251-Y1282 HydrophobicContact CE1-CE1 3.88Å
1252K92.1Very high89.4Confident121 Ų12154.3 Ų54.353%0.52628%0.28SS..Hα-helixtrans-59.4-45.4173.9177.9172.2176.7177.80112E1248 I1249 A1254 E1255 D1256E1248-K1252 WeakPolarHBondContact O-CB 3.36Å; E1248-K1252 PolarHBondContact O-N 3.39Å; E1248-K1252 VanDerWaalsContact O-N 3.08Å; I1249-K1252 PolarHBondContact O-N 3.32Å; K1252-A1254 VanDerWaalsContact C-N 3.27Å; K1252-A1254 PolarHBondContact O-N 3Å; K1252-E1255 PolarHBondContact O-N 2.9Å; K1252-D1256 WeakPolarHBondContact CE-OD1 3.46Å; K1252-D1256 WeakPolarHBondContact CE-OD2 3.45Å; K1252-D1256 WeakPolarHBondContact O-CB 3.34Å; K1252-D1256 PolarHBondContact O-N 3.21Å
1253V91.6Very high89.5Confident7 Ų751.2 Ų51.24%0.04226%0.263CS..Hα-helixtrans-67.4-29.8-179.7172.10000111.8V1224 K1227 I1228 I1249 F1251 E1257V1224-V1253 HydrophobicContact CG2-CG1 3.68Å; K1227-V1253 HydrophobicContact CB-CG1 3.75Å; K1227-V1253 HydrophobicContact CB-CG2 3.9Å; K1227-V1253 HydrophobicContact CD-CG1 4.04Å; I1228-V1253 HydrophobicContact CD1-CB 4.36Å; I1228-V1253 HydrophobicContact CD1-CG1 3.99Å; I1228-V1253 HydrophobicContact CG1-CB 4.23Å; I1228-V1253 HydrophobicContact CG1-CG1 4.01Å; I1228-V1253 HydrophobicContact CG1-CG2 3.94Å; I1249-V1253 HydrophobicContact CG2-CG2 4.28Å; I1249-V1253 WeakPolarHBondContact O-CB 3.33Å; I1249-V1253 VanDerWaalsContact O-CG2 3.28Å; I1249-V1253 WeakPolarHBondContact O-CG2 3.37Å; I1249-V1253 PolarHBondContact O-N 3.34Å; F1251-V1253 PolarHBondContact O-N 3.32Å; V1253-E1257 WeakPolarHBondContact O-CG 3.38Å; V1253-E1257 PolarHBondContact O-N 3.09Å
1254A91.1Very high89.3Confident0 Ų054.5 Ų54.50%028%0.278CS..Hα-helixtrans-69.8-42.2171.200000112.4L1220 A1250 F1251 K1252 E1257 G1258 I1259 Y1282L1220-A1254 HydrophobicContact CD1-CB 4.24Å; A1250-A1254 WeakPolarHBondContact O-CB 3.31Å; A1250-A1254 PolarHBondContact O-N 2.74Å; F1251-A1254 PolarHBondContact O-N 3.4Å; K1252-A1254 VanDerWaalsContact C-N 3.27Å; K1252-A1254 PolarHBondContact O-N 3Å; A1254-E1257 CarbonylContact O-C 3.53Å; A1254-E1257 PolarHBondContact O-N 3.38Å; A1254-G1258 PolarHBondContact O-N 2.96Å; A1254-G1258 VanDerWaalsContact O-N 3.16Å; A1254-I1259 HydrophobicContact CB-CB 4.15Å; A1254-I1259 PolarHBondContact O-N 3Å; A1254-Y1282 WeakPolarHBondContact CB-OH 3.26Å
1255E91.4Very high89.2Confident103 Ų10350.9 Ų50.948%0.48127%0.267SS..Hα-helixtrans-64.5-43174.6-71.1167.9-176.300111.8F1251 K1252 E1257 G1258 T1261F1251-E1255 WeakPolarHBondContact O-CG 3.4Å; F1251-E1255 PolarHBondContact O-N 3.49Å; K1252-E1255 PolarHBondContact O-N 2.9Å; E1255-E1257 PolarHBondContact O-N 3.48Å; E1255-E1257 VanDerWaalsContact O-N 3.09Å; E1255-G1258 PolarHBondContact O-N 3.49Å; E1255-T1261 HydrophobicContact CG-CG2 3.65Å; E1255-T1261 WeakPolarHBondContact OE1-CB 3.44Å; E1255-T1261 VanDerWaalsContact OE1-CG2 3.25Å; E1255-T1261 WeakPolarHBondContact OE1-CG2 3.16Å; E1255-T1261 PolarHBondContact OE1-OG1 3.47Å
1256D90.8Very high88.9Confident86 Ų8651.3 Ų51.346%0.4627%0.273SS..THydrogen-bonded Turntrans-65.2-5.9174.4-70.1-18.4000113K1227 K1252K1227-D1256 PolarHBondContact NZ-O 3.45Å; K1252-D1256 WeakPolarHBondContact CE-OD1 3.46Å; K1252-D1256 WeakPolarHBondContact CE-OD2 3.45Å; K1252-D1256 WeakPolarHBondContact O-CB 3.34Å; K1252-D1256 PolarHBondContact O-N 3.21Å
1257E88.3Confident88.5Confident58 Ų5855 Ų5527%0.27129%0.293SS..THydrogen-bonded Turntrans-116.84173.1-61.7-78142.100111.7K1227 V1253 A1254 E1255 H1289 Y1290K1227-E1257 WeakPolarHBondContact CD-OE1 3.21Å; K1227-E1257 WeakPolarHBondContact CE-OE1 3.41Å; K1227-E1257 IonicContact NZ-OE1 2.62Å; K1227-E1257 PolarHBondContact NZ-OE1 3.48Å; V1253-E1257 WeakPolarHBondContact O-CG 3.38Å; V1253-E1257 PolarHBondContact O-N 3.09Å; A1254-E1257 CarbonylContact O-C 3.53Å; A1254-E1257 PolarHBondContact O-N 3.38Å; E1255-E1257 PolarHBondContact O-N 3.48Å; E1255-E1257 VanDerWaalsContact O-N 3.09Å; E1257-H1289 PolarHBondContact O-CE1 3.31Å; E1257-H1289 PolarHBondContact O-NE2 3.2Å; E1257-Y1290 WeakPolarHBondContact CG-OH 3.35Å
1258G87.4Confident88.2Confident59 Ų5955.5 Ų55.561%0.60830%0.295SS*.THydrogen-bonded Turntrans877176.100000116.4A1254 E1255 P1260A1254-G1258 PolarHBondContact O-N 2.96Å; A1254-G1258 VanDerWaalsContact O-N 3.16Å; E1255-G1258 PolarHBondContact O-N 3.49Å; G1258-P1260 WeakPolarHBondContact O-CD 3.47Å
1259I89.7Confident87.9Confident3 Ų354.2 Ų54.22%0.01529%0.291CS..  trans-85.1116.1-180-57.3166.7000109.9A1254 T1261 Y1282 V1286 H1289 Y1290A1254-I1259 HydrophobicContact CB-CB 4.15Å; A1254-I1259 PolarHBondContact O-N 3Å; I1259-T1261 PolarHBondContact O-N 3.42Å; I1259-Y1282 HydrophobicContact CG2-CE2 4.24Å; I1259-V1286 HydrophobicContact CD1-CG1 4.5Å; I1259-V1286 HydrophobicContact CD1-CG2 4.33Å; I1259-V1286 HydrophobicContact CG2-CG2 4.12Å; I1259-H1289 HydrophobicContact CD1-CB 4.08Å; I1259-H1289 HydrophobicContact CG1-CB 3.85Å; I1259-Y1290 HydrophobicContact CD1-CD2 4.12Å; I1259-Y1290 HydrophobicContact CD1-CE2 3.51Å
1260P83.6Confident87.5Confident86 Ų8657.6 Ų57.656%0.55831%0.313SS*.  trans-68.6129.3-174.826.4-34.4000112.9G1258 T1262G1258-P1260 WeakPolarHBondContact O-CD 3.47Å; P1260-T1262 PolarHBondContact O-N 3.17Å
1261T84.1Confident87Confident48 Ų4860.6 Ų60.629%0.29433%0.332SS..  trans-79.878.7-176.837.10000112.7F1251 E1255 I1259 L1263 Y1282F1251-T1261 HydrophobicContact CB-CG2 3.86Å; F1251-T1261 HydrophobicContact CD1-CG2 4.35Å; F1251-T1261 HydrophobicContact CG-CG2 4.16Å; E1255-T1261 HydrophobicContact CG-CG2 3.65Å; E1255-T1261 WeakPolarHBondContact OE1-CB 3.44Å; E1255-T1261 VanDerWaalsContact OE1-CG2 3.25Å; E1255-T1261 WeakPolarHBondContact OE1-CG2 3.16Å; E1255-T1261 PolarHBondContact OE1-OG1 3.47Å; I1259-T1261 PolarHBondContact O-N 3.42Å; T1261-L1263 PolarHBondContact O-N 2.83Å; T1261-Y1282 HydrophobicContact CG2-CE2 4.22Å
1262T84.2Confident86.5Confident80 Ų8067.1 Ų67.149%0.49136%0.362SS..  trans-69.8-9.6175.256.90000114.2P1260 Y1282P1260-T1262 PolarHBondContact O-N 3.17Å; T1262-Y1282 WeakPolarHBondContact OG1-CB 3.42Å
1263L87.9Confident86.2Confident8 Ų867.7 Ų67.74%0.04236%0.361CS..SBendtrans-97.6127.4175.6-68178.5000112F1216 F1251 T1261 M1268 V1279 Y1282F1216-L1263 HydrophobicContact CE1-CD1 4.09Å; F1216-L1263 HydrophobicContact CE2-CD1 4.44Å; F1216-L1263 HydrophobicContact CZ-CD1 3.64Å; F1251-L1263 HydrophobicContact CE1-CB 4.19Å; F1251-L1263 HydrophobicContact CE1-CD1 4.2Å; F1251-L1263 HydrophobicContact CE2-CB 4.31Å; F1251-L1263 HydrophobicContact CZ-CB 3.65Å; F1251-L1263 HydrophobicContact CZ-CD1 4.11Å; T1261-L1263 PolarHBondContact O-N 2.83Å; L1263-M1268 HydrophobicContact CB-CG 4.44Å; L1263-M1268 HydrophobicContact CD1-SD 4.19Å; L1263-M1268 HydrophobicContact CD2-CE 4.35Å; L1263-M1268 HydrophobicContact CD2-SD 4.16Å; L1263-V1279 HydrophobicContact CD1-CG2 4.13Å; L1263-V1279 HydrophobicContact CD2-CG2 4.14Å; L1263-Y1282 HydrophobicContact CD1-CD1 3.51Å; L1263-Y1282 HydrophobicContact CD1-CE1 4.27Å; L1263-Y1282 HydrophobicContact CD1-CG 3.83Å; L1263-Y1282 HydrophobicContact CG-CD1 4.13Å; L1263-Y1282 HydrophobicContact CG-CG 3.94Å
1264K84.7Confident86.1Confident147 Ų14767.6 Ų67.664%0.63936%0.36SS*.  trans-80.6127.7172.5-64.4177-173167.30110.9Q1266 D1267 M1268K1264-Q1266 VanDerWaalsContact C-N 3.28Å; K1264-Q1266 PolarHBondContact O-N 3.28Å; K1264-D1267 HydrophobicContact CB-CB 4.3Å; K1264-D1267 PolarHBondContact O-N 2.86Å; K1264-M1268 PolarHBondContact O-N 3.24Å
1265L86.2Confident86Confident41 Ų4171.3 Ų71.322%0.21538%0.38CS..Hα-helixtrans-52.8-40.5177.9178.263.4000113.6F1247 E1248 F1251 L1269F1247-L1265 HydrophobicContact CB-CD1 3.36Å; F1247-L1265 HydrophobicContact CG-CD1 4.21Å; E1248-L1265 HydrophobicContact CG-CD1 4.09Å; E1248-L1265 HydrophobicContact CG-CD2 3.6Å; F1251-L1265 HydrophobicContact CE2-CB 4.43Å; F1251-L1265 HydrophobicContact CE2-CD1 4.49Å; L1265-L1269 HydrophobicContact CD1-CD1 3.86Å; L1265-L1269 HydrophobicContact CD1-CG 4.33Å; L1265-L1269 HydrophobicContact CG-CD1 3.93Å; L1265-L1269 WeakPolarHBondContact O-CB 3.41Å; L1265-L1269 WeakPolarHBondContact O-CG 3.21Å; L1265-L1269 PolarHBondContact O-N 2.66Å; L1265-L1269 VanDerWaalsContact O-N 3.14Å
1266Q82.6Confident86.1Confident104 Ų10471.5 Ų71.549%0.48638%0.377SS..Hα-helixtrans-67.5-41.9-179.3-65.9-61.2-22.500112.2K1264 M1268 L1269 T1270K1264-Q1266 VanDerWaalsContact C-N 3.28Å; K1264-Q1266 PolarHBondContact O-N 3.28Å; Q1266-M1268 VanDerWaalsContact C-N 3.27Å; Q1266-M1268 PolarHBondContact O-N 3.43Å; Q1266-L1269 PolarHBondContact O-N 3.43Å; Q1266-L1269 VanDerWaalsContact O-N 3.16Å; Q1266-T1270 WeakPolarHBondContact O-CB 3.35Å; Q1266-T1270 WeakPolarHBondContact O-CG2 3.31Å; Q1266-T1270 PolarHBondContact O-N 3.48Å; Q1266-T1270 PolarHBondContact O-OG1 3.23Å
1267D83.5Confident86.2Confident78 Ų7871.4 Ų71.442%0.41738%0.376SS..Hα-helixtrans-65.5-35-177.6-553.3000110.7K1264 T1270 T1271K1264-D1267 HydrophobicContact CB-CB 4.3Å; K1264-D1267 PolarHBondContact O-N 2.86Å; D1267-T1270 PolarHBondContact O-OG1 3.05Å; D1267-T1271 WeakPolarHBondContact O-CB 3.29Å; D1267-T1271 PolarHBondContact O-N 3.02Å; D1267-T1271 PolarHBondContact O-OG1 3.44Å
1268M86Confident86.3Confident10 Ų1071.2 Ų71.25%0.04938%0.381CS..Hα-helixtrans-75.1-27.1175.1-60.1-60.791.300114.2F1247 F1251 L1263 K1264 Q1266 P1274 V1279F1247-M1268 HydrophobicContact CD1-CB 4.33Å; F1247-M1268 HydrophobicContact CE1-CB 3.88Å; F1247-M1268 HydrophobicContact CE1-CG 4.38Å; F1247-M1268 HydrophobicContact CE2-CB 4.19Å; F1247-M1268 HydrophobicContact CZ-CB 3.8Å; F1251-M1268 HydrophobicContact CZ-CG 4.33Å; L1263-M1268 HydrophobicContact CB-CG 4.44Å; L1263-M1268 HydrophobicContact CD1-SD 4.19Å; L1263-M1268 HydrophobicContact CD2-CE 4.35Å; L1263-M1268 HydrophobicContact CD2-SD 4.16Å; K1264-M1268 PolarHBondContact O-N 3.24Å; Q1266-M1268 VanDerWaalsContact C-N 3.27Å; Q1266-M1268 PolarHBondContact O-N 3.43Å; M1268-P1274 HydrophobicContact CE-CB 3.71Å; M1268-P1274 HydrophobicContact CE-CG 4.19Å; M1268-P1274 HydrophobicContact SD-CB 3.75Å; M1268-P1274 HydrophobicContact SD-CG 3.85Å; M1268-V1279 HydrophobicContact SD-CG2 4.03Å
1269L85.1Confident86.6Confident52 Ų5268.4 Ų68.427%0.27235%0.352SS..Hα-helixtrans-86.2-34.5178-78171.9000113.4K1243 R1244 F1247 L1265 Q1266K1243-L1269 HydrophobicContact CB-CD2 4.09Å; R1244-L1269 HydrophobicContact CB-CD1 4.05Å; R1244-L1269 HydrophobicContact CB-CD2 4.05Å; R1244-L1269 HydrophobicContact CG-CD1 3.95Å; F1247-L1269 HydrophobicContact CD2-CD2 3.76Å; F1247-L1269 HydrophobicContact CD2-CG 4.1Å; F1247-L1269 HydrophobicContact CE2-CD2 3.96Å; F1247-L1269 HydrophobicContact CE2-CG 4.4Å; L1265-L1269 HydrophobicContact CD1-CD1 3.86Å; L1265-L1269 HydrophobicContact CD1-CG 4.33Å; L1265-L1269 HydrophobicContact CG-CD1 3.93Å; L1265-L1269 WeakPolarHBondContact O-CB 3.41Å; L1265-L1269 WeakPolarHBondContact O-CG 3.21Å; L1265-L1269 PolarHBondContact O-N 2.66Å; L1265-L1269 VanDerWaalsContact O-N 3.14Å; Q1266-L1269 PolarHBondContact O-N 3.43Å; Q1266-L1269 VanDerWaalsContact O-N 3.16Å
1270T81.7Confident86.8Confident105 Ų10569.1 Ų69.164%0.64436%0.355SS*.Hα-helixtrans-78.2-28-179.748.70000113.4Q1266 D1267Q1266-T1270 WeakPolarHBondContact O-CB 3.35Å; Q1266-T1270 WeakPolarHBondContact O-CG2 3.31Å; Q1266-T1270 PolarHBondContact O-N 3.48Å; Q1266-T1270 PolarHBondContact O-OG1 3.23Å; D1267-T1270 PolarHBondContact O-OG1 3.05Å
1271T81.8Confident87.2Confident64 Ų6468.2 Ų68.239%0.39335%0.348SS..  trans-111.5113.1-172.1-41.20000111.5D1267 R1273 P1274D1267-T1271 WeakPolarHBondContact O-CB 3.29Å; D1267-T1271 PolarHBondContact O-N 3.02Å; D1267-T1271 PolarHBondContact O-OG1 3.44Å; T1271-R1273 VanDerWaalsContact CG2-O 3.28Å; T1271-R1273 WeakPolarHBondContact CG2-O 3.31Å; T1271-R1273 PolarHBondContact O-N 3.06Å; T1271-P1274 WeakPolarHBondContact O-CD 3.27Å
1272E83.2Confident87.6Confident149 Ų14966 Ų6670%0.69634%0.335SS*.SBendtrans-61.2-17174.9-65.9-156.313100113.8N1211N1211-E1272 VanDerWaalsContact CB-O 3.24Å; N1211-E1272 WeakPolarHBondContact CB-O 3.34Å; N1211-E1272 PolarHBondContact ND2-O 3.36Å
1273R86.3Confident88.1Confident134 Ų13462.2 Ų62.251%0.50631%0.311SS..SBendtrans-129.785.4175.7-166.5174.7-171.6-175.5-0.4109.6S1207 T1271S1207-R1273 PolarHBondContact OG-NE 2.92Å; T1271-R1273 VanDerWaalsContact CG2-O 3.28Å; T1271-R1273 WeakPolarHBondContact CG2-O 3.31Å; T1271-R1273 PolarHBondContact O-N 3.06Å
1274P88.1Confident88.3Confident4 Ų462.7 Ų62.73%0.02632%0.315CS..  trans-43.4148.7172.2-34.338.2000113.4S1207 N1211 M1268 T1271 W1276 V1279S1207-P1274 VanDerWaalsContact CB-O 3.24Å; S1207-P1274 WeakPolarHBondContact CB-O 3.35Å; N1211-P1274 HydrophobicContact CB-CG 4.29Å; M1268-P1274 HydrophobicContact CE-CB 3.71Å; M1268-P1274 HydrophobicContact CE-CG 4.19Å; M1268-P1274 HydrophobicContact SD-CB 3.75Å; M1268-P1274 HydrophobicContact SD-CG 3.85Å; T1271-P1274 WeakPolarHBondContact O-CD 3.27Å; P1274-W1276 PolarHBondContact O-N 3.3Å; P1274-W1276 VanDerWaalsContact O-N 3.16Å; P1274-V1279 HydrophobicContact CB-CG2 3.71Å
1275D90Very high88.6Confident78 Ų7857.2 Ų57.242%0.41730%0.295SS..  trans-57.6124.6165.4173.145.8000109.2N1277 S1278 V1279D1275-N1277 VanDerWaalsContact C-N 3.26Å; D1275-N1277 PolarHBondContact O-N 2.93Å; D1275-N1277 PolarHBondContact OD1-N 2.88Å; D1275-N1277 WeakPolarHBondContact OD2-CA 3.49Å; D1275-N1277 WeakPolarHBondContact OD2-CB 3.39Å; D1275-N1277 PolarHBondContact OD2-N 3.34Å; D1275-N1277 VanDerWaalsContact OD2-N 3.15Å; D1275-S1278 PolarHBondContact OD2-N 2.83Å; D1275-S1278 PolarHBondContact OD2-OG 2.97Å; D1275-S1278 VanDerWaalsContact OD2-OG 3.09Å; D1275-V1279 WeakPolarHBondContact O-CG2 3.44Å; D1275-V1279 PolarHBondContact O-N 3.3Å
1276W92.2Very high88.9Confident108 Ų10855.4 Ų55.441%0.40929%0.286SS..Hα-helixtrans-72.5-25.2-174.769.9-94.2000111.9R1184 F1206 P1274 M1280R1184-W1276 VanDerWaalsContact NH1-CH2 3.29Å; F1206-W1276 HydrophobicContact CB-CB 4.24Å; F1206-W1276 VanDerWaalsContact O-CA 3.31Å; F1206-W1276 WeakPolarHBondContact O-CA 3.43Å; P1274-W1276 PolarHBondContact O-N 3.3Å; P1274-W1276 VanDerWaalsContact O-N 3.16Å; W1276-M1280 HydrophobicContact CE3-CB 4.36Å; W1276-M1280 WeakPolarHBondContact O-CB 3.37Å; W1276-M1280 PolarHBondContact O-N 3.45Å
1277N92.6Very high89.4Confident83 Ų8351.3 Ų51.344%0.44427%0.266SS..Hα-helixtrans-78.6-41.3-177.1-166.960.6000111.1D1275 M1280 T1281D1275-N1277 VanDerWaalsContact C-N 3.26Å; D1275-N1277 PolarHBondContact O-N 2.93Å; D1275-N1277 PolarHBondContact OD1-N 2.88Å; D1275-N1277 WeakPolarHBondContact OD2-CA 3.49Å; D1275-N1277 WeakPolarHBondContact OD2-CB 3.39Å; D1275-N1277 PolarHBondContact OD2-N 3.34Å; D1275-N1277 VanDerWaalsContact OD2-N 3.15Å; N1277-M1280 PolarHBondContact O-N 3.39Å; N1277-T1281 WeakPolarHBondContact O-CB 3.38Å; N1277-T1281 PolarHBondContact O-N 2.98Å; N1277-T1281 PolarHBondContact O-OG1 3.27Å
1278S91.7Very high89.6Confident54 Ų5452 Ų5238%0.37826%0.263SS..Hα-helixtrans-59.5-47.4169.4-58.70000111.8D1275 T1281 Y1282D1275-S1278 PolarHBondContact OD2-N 2.83Å; D1275-S1278 PolarHBondContact OD2-OG 2.97Å; D1275-S1278 VanDerWaalsContact OD2-OG 3.09Å; S1278-T1281 PolarHBondContact O-N 3.17Å; S1278-Y1282 PolarHBondContact O-N 3.43Å
1279V93.8Very high89.7Confident0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-65.9-43.6177.9171.30000111.7F1206 W1210 F1216 L1263 M1268 P1274 D1275 T1281 Y1282 I1283F1206-V1279 HydrophobicContact CB-CG1 4.33Å; F1206-V1279 HydrophobicContact CD1-CG1 4.47Å; F1206-V1279 VanDerWaalsContact O-CB 3.26Å; F1206-V1279 WeakPolarHBondContact O-CB 3.37Å; F1206-V1279 WeakPolarHBondContact O-CG1 3.45Å; W1210-V1279 HydrophobicContact CB-CG1 4.28Å; W1210-V1279 HydrophobicContact CD2-CG1 4.29Å; W1210-V1279 HydrophobicContact CG-CG1 3.9Å; F1216-V1279 HydrophobicContact CE1-CG1 4.49Å; F1216-V1279 HydrophobicContact CZ-CG1 4.06Å; F1216-V1279 HydrophobicContact CZ-CG2 4.48Å; L1263-V1279 HydrophobicContact CD1-CG2 4.13Å; L1263-V1279 HydrophobicContact CD2-CG2 4.14Å; M1268-V1279 HydrophobicContact SD-CG2 4.03Å; P1274-V1279 HydrophobicContact CB-CG2 3.71Å; D1275-V1279 WeakPolarHBondContact O-CG2 3.44Å; D1275-V1279 PolarHBondContact O-N 3.3Å; V1279-T1281 VanDerWaalsContact C-N 3.28Å; V1279-T1281 PolarHBondContact O-N 3.5Å; V1279-Y1282 PolarHBondContact O-N 2.95Å; V1279-I1283 HydrophobicContact CG1-CG1 4.25Å; V1279-I1283 WeakPolarHBondContact O-CB 3.47Å; V1279-I1283 VanDerWaalsContact O-CG1 3.27Å; V1279-I1283 WeakPolarHBondContact O-CG1 3.48Å; V1279-I1283 PolarHBondContact O-N 3.05Å
1280M93.3Very high89.9Confident18 Ų1852.9 Ų52.99%0.08926%0.264CS..Hα-helixtrans-56.3-42.8173.3176.280-16300111.5L1171 R1184 L1187 F1206 W1276 N1277 T1284L1171-M1280 HydrophobicContact CD1-CE 4.21Å; R1184-M1280 HydrophobicContact CB-CE 4.49Å; R1184-M1280 HydrophobicContact CG-SD 4.18Å; L1187-M1280 HydrophobicContact CB-CE 3.99Å; L1187-M1280 HydrophobicContact CD2-CE 3.44Å; L1187-M1280 VanDerWaalsContact CD2-CE 3.44Å; L1187-M1280 HydrophobicContact CD2-SD 3.8Å; L1187-M1280 HydrophobicContact CG-CE 4.37Å; F1206-M1280 HydrophobicContact CB-CB 4.46Å; F1206-M1280 HydrophobicContact CD1-SD 4.41Å; F1206-M1280 HydrophobicContact CD2-SD 3.67Å; F1206-M1280 HydrophobicContact CE1-SD 4.19Å; F1206-M1280 HydrophobicContact CE2-SD 3.41Å; F1206-M1280 WeakPolarHBondContact CE2-SD 3.31Å; F1206-M1280 HydrophobicContact CG-CB 4.32Å; F1206-M1280 HydrophobicContact CG-SD 4.17Å; F1206-M1280 HydrophobicContact CZ-SD 3.69Å; W1276-M1280 HydrophobicContact CE3-CB 4.36Å; W1276-M1280 WeakPolarHBondContact O-CB 3.37Å; W1276-M1280 PolarHBondContact O-N 3.45Å; N1277-M1280 PolarHBondContact O-N 3.39Å; M1280-T1284 WeakPolarHBondContact O-CB 3.42Å; M1280-T1284 PolarHBondContact O-N 2.8Å; M1280-T1284 PolarHBondContact O-OG1 3.19Å
1281T91.5Very high90.1Very high67 Ų6750.1 Ų50.141%0.41124%0.244SC..Hα-helixtrans-65.1-48.7178.4-58.60000111.5N1277 S1278 V1279 I1283 T1284 S1285N1277-T1281 WeakPolarHBondContact O-CB 3.38Å; N1277-T1281 PolarHBondContact O-N 2.98Å; N1277-T1281 PolarHBondContact O-OG1 3.27Å; S1278-T1281 PolarHBondContact O-N 3.17Å; V1279-T1281 VanDerWaalsContact C-N 3.28Å; V1279-T1281 PolarHBondContact O-N 3.5Å; T1281-I1283 PolarHBondContact O-N 2.96Å; T1281-T1284 WeakPolarHBondContact O-CA 3.45Å; T1281-T1284 VanDerWaalsContact O-CB 3.26Å; T1281-T1284 WeakPolarHBondContact O-CB 3.24Å; T1281-T1284 PolarHBondContact O-N 2.92Å; T1281-S1285 PolarHBondContact O-N 3.4Å; T1281-S1285 PolarHBondContact O-OG 3.46Å
1282Y94.1Very high89.8Confident1 Ų149 Ų490%0.00424%0.237CC..Hα-helixtrans-63.2-42.1177.9179.7-111.9000112.6F1216 F1251 A1254 I1259 T1261 T1262 L1263 S1278 V1279 T1284 S1285 V1286F1216-Y1282 HydrophobicContact CD1-CD1 4.2Å; F1216-Y1282 AromaticContact CD1-CE1 3.95Å; F1216-Y1282 HydrophobicContact CD1-CE1 3.95Å; F1216-Y1282 AromaticContact CE1-CD1 3.67Å; F1216-Y1282 HydrophobicContact CE1-CD1 3.67Å; F1216-Y1282 AromaticContact CE1-CE1 3.89Å; F1216-Y1282 HydrophobicContact CE1-CE1 3.89Å; F1216-Y1282 HydrophobicContact CZ-CD1 4.45Å; F1251-Y1282 HydrophobicContact CD1-CE1 4.18Å; F1251-Y1282 AromaticContact CE1-CE1 3.88Å; F1251-Y1282 HydrophobicContact CE1-CE1 3.88Å; A1254-Y1282 WeakPolarHBondContact CB-OH 3.26Å; I1259-Y1282 HydrophobicContact CG2-CE2 4.24Å; T1261-Y1282 HydrophobicContact CG2-CE2 4.22Å; T1262-Y1282 WeakPolarHBondContact OG1-CB 3.42Å; L1263-Y1282 HydrophobicContact CD1-CD1 3.51Å; L1263-Y1282 HydrophobicContact CD1-CE1 4.27Å; L1263-Y1282 HydrophobicContact CD1-CG 3.83Å; L1263-Y1282 HydrophobicContact CG-CD1 4.13Å; L1263-Y1282 HydrophobicContact CG-CG 3.94Å; S1278-Y1282 PolarHBondContact O-N 3.43Å; V1279-Y1282 PolarHBondContact O-N 2.95Å; Y1282-T1284 PolarHBondContact O-N 3.35Å; Y1282-S1285 WeakPolarHBondContact O-CB 3.49Å; Y1282-S1285 PolarHBondContact O-N 3.42Å; Y1282-V1286 HydrophobicContact CE1-CG2 4.31Å; Y1282-V1286 PolarHBondContact O-N 2.93Å
1283I94.5Very high88.9Confident1 Ų147.1 Ų47.11%0.00523%0.228CC..Hα-helixtrans-64.9-28.5173.5-65.3-66000111.8L1187 W1190 F1206 W1210 F1216 L1219 V1279 T1281 V1286 Y1287L1187-I1283 HydrophobicContact CD1-CG2 4.25Å; L1187-I1283 HydrophobicContact CD2-CB 4.41Å; L1187-I1283 HydrophobicContact CD2-CG2 3.9Å; L1187-I1283 HydrophobicContact CG-CG2 4.01Å; W1190-I1283 HydrophobicContact CZ3-CG2 3.88Å; F1206-I1283 HydrophobicContact CE1-CB 4.47Å; F1206-I1283 HydrophobicContact CE1-CG2 4.14Å; W1210-I1283 HydrophobicContact CE3-CD1 4.01Å; W1210-I1283 HydrophobicContact CH2-CD1 3.53Å; W1210-I1283 HydrophobicContact CH2-CG1 4.15Å; W1210-I1283 HydrophobicContact CZ2-CD1 4.17Å; W1210-I1283 HydrophobicContact CZ2-CG1 4.3Å; W1210-I1283 HydrophobicContact CZ3-CD1 3.43Å; W1210-I1283 VanDerWaalsContact CZ3-CD1 3.43Å; W1210-I1283 HydrophobicContact CZ3-CG1 4.31Å; F1216-I1283 HydrophobicContact CD1-CD1 3.74Å; F1216-I1283 HydrophobicContact CE1-CD1 3.53Å; F1216-I1283 HydrophobicContact CE1-CG1 4.04Å; L1219-I1283 HydrophobicContact CD2-CD1 3.73Å; L1219-I1283 HydrophobicContact CD2-CG2 4.48Å; V1279-I1283 HydrophobicContact CG1-CG1 4.25Å; V1279-I1283 WeakPolarHBondContact O-CB 3.47Å; V1279-I1283 VanDerWaalsContact O-CG1 3.27Å; V1279-I1283 WeakPolarHBondContact O-CG1 3.48Å; V1279-I1283 PolarHBondContact O-N 3.05Å; T1281-I1283 PolarHBondContact O-N 2.96Å; I1283-V1286 PolarHBondContact O-N 3.26Å; I1283-Y1287 WeakPolarHBondContact O-CB 3.49Å; I1283-Y1287 PolarHBondContact O-N 2.87Å
1284T92.1Very high87.6Confident19 Ų1944 Ų4412%0.11723%0.23CC..Hα-helixtrans-67.4-37.2171.1-590000111.6L1171 L1187 M1280 T1281 Y1282 Y1287 R1288L1171-T1284 HydrophobicContact CD1-CG2 3.65Å; L1171-T1284 HydrophobicContact CD2-CG2 4.23Å; L1171-T1284 HydrophobicContact CG-CG2 3.97Å; L1187-T1284 WeakPolarHBondContact CD2-OG1 3.33Å; M1280-T1284 WeakPolarHBondContact O-CB 3.42Å; M1280-T1284 PolarHBondContact O-N 2.8Å; M1280-T1284 PolarHBondContact O-OG1 3.19Å; T1281-T1284 WeakPolarHBondContact O-CA 3.45Å; T1281-T1284 VanDerWaalsContact O-CB 3.26Å; T1281-T1284 WeakPolarHBondContact O-CB 3.24Å; T1281-T1284 PolarHBondContact O-N 2.92Å; Y1282-T1284 PolarHBondContact O-N 3.35Å; T1284-Y1287 PolarHBondContact O-N 3.09Å; T1284-R1288 WeakPolarHBondContact O-CB 3.38Å; T1284-R1288 WeakPolarHBondContact O-CG 3.48Å; T1284-R1288 PolarHBondContact O-N 3.03Å
1285S90.9Very high85.7Confident32 Ų3250.1 Ų50.122%0.22426%0.262CS..Hα-helixtrans-63.3-45.6171.6-53.90000111.7T1281 Y1282 Y1287 R1288 H1289T1281-S1285 PolarHBondContact O-N 3.4Å; T1281-S1285 PolarHBondContact O-OG 3.46Å; Y1282-S1285 WeakPolarHBondContact O-CB 3.49Å; Y1282-S1285 PolarHBondContact O-N 3.42Å; S1285-Y1287 VanDerWaalsContact C-N 3.32Å; S1285-Y1287 PolarHBondContact O-N 3Å; S1285-R1288 PolarHBondContact O-N 3Å; S1285-H1289 PolarHBondContact O-N 2.73Å
1286V91.8Very high83.4Confident2 Ų251.8 Ų51.81%0.01227%0.272CS..Hα-helixtrans-60.1-41.2175.5-179.70000111.4W1190 L1219 L1220 I1259 Y1282 I1283 Y1290W1190-V1286 HydrophobicContact CH2-CG1 4.37Å; L1219-V1286 HydrophobicContact CD2-CG1 4.02Å; L1219-V1286 HydrophobicContact CG-CG1 4.45Å; L1220-V1286 HydrophobicContact CD2-CG1 4.11Å; I1259-V1286 HydrophobicContact CD1-CG1 4.5Å; I1259-V1286 HydrophobicContact CD1-CG2 4.33Å; I1259-V1286 HydrophobicContact CG2-CG2 4.12Å; Y1282-V1286 HydrophobicContact CE1-CG2 4.31Å; Y1282-V1286 PolarHBondContact O-N 2.93Å; I1283-V1286 PolarHBondContact O-N 3.26Å; V1286-Y1290 HydrophobicContact CG1-CD2 3.87Å; V1286-Y1290 HydrophobicContact CG1-CE2 4.16Å; V1286-Y1290 WeakPolarHBondContact O-CD2 3.33Å; V1286-Y1290 PolarHBondContact O-N 2.92Å
1287Y92.5Very high80.9Confident19 Ų1952.8 Ų52.88%0.07529%0.292CS..Hα-helixtrans-63.7-46.7174.7172.8-108.8000112.5P1170 L1171 L1174 L1187 W1190 I1283 T1284 S1285 H1289 E1291 V1292P1170-Y1287 HydrophobicContact CB-CE1 3.83Å; L1171-Y1287 HydrophobicContact CD2-CD1 3.88Å; L1171-Y1287 HydrophobicContact CD2-CE1 4.19Å; L1174-Y1287 HydrophobicContact CB-CE1 4.38Å; L1174-Y1287 HydrophobicContact CD1-CE2 4.01Å; L1174-Y1287 HydrophobicContact CD2-CD2 4.31Å; L1174-Y1287 HydrophobicContact CD2-CE1 4.15Å; L1174-Y1287 HydrophobicContact CD2-CE2 3.91Å; L1174-Y1287 HydrophobicContact CG-CE2 4.43Å; L1187-Y1287 HydrophobicContact CD1-CD1 4.33Å; L1187-Y1287 HydrophobicContact CD1-CD2 4.3Å; L1187-Y1287 HydrophobicContact CD1-CG 3.84Å; W1190-Y1287 AromaticContact CD2-CD2 3.91Å; W1190-Y1287 HydrophobicContact CD2-CD2 3.91Å; W1190-Y1287 AromaticContact CE2-CD2 3.53Å; W1190-Y1287 HydrophobicContact CE3-CD2 4.44Å; W1190-Y1287 HydrophobicContact CG-CD2 4.29Å; W1190-Y1287 HydrophobicContact CH2-CD2 4.27Å; W1190-Y1287 AromaticContact CZ2-CD2 3.71Å; W1190-Y1287 HydrophobicContact CZ2-CD2 3.71Å; W1190-Y1287 HydrophobicContact CZ2-CG 4.43Å; W1190-Y1287 AromaticContact NE1-CD2 3.71Å; W1190-Y1287 AromaticContact NE1-CE2 3.96Å; I1283-Y1287 WeakPolarHBondContact O-CB 3.49Å; I1283-Y1287 PolarHBondContact O-N 2.87Å; T1284-Y1287 PolarHBondContact O-N 3.09Å; S1285-Y1287 VanDerWaalsContact C-N 3.32Å; S1285-Y1287 PolarHBondContact O-N 3Å; Y1287-H1289 VanDerWaalsContact C-N 3.34Å; Y1287-H1289 PolarHBondContact O-N 3.46Å; Y1287-E1291 HydrophobicContact CD2-CB 3.83Å; Y1287-E1291 HydrophobicContact CD2-CG 3.8Å; Y1287-E1291 HydrophobicContact CE2-CB 3.51Å; Y1287-E1291 HydrophobicContact CE2-CG 3.79Å; Y1287-E1291 WeakPolarHBondContact O-CB 3.34Å; Y1287-E1291 PolarHBondContact O-N 3.3Å; Y1287-V1292 HydrophobicContact CD1-CG2 4.45Å; Y1287-V1292 HydrophobicContact CE1-CG2 4.01Å
1288R89.3Confident78Confident92 Ų9253.4 Ų53.435%0.34730%0.303SS..Hα-helixtrans-59.2-45.3178.7-77.9178.5173.9-138.2-2.7111.6D1169 P1170 T1284 S1285 V1292 E1293D1169-R1288 IonicContact OD1-NH2 3.9Å; D1169-R1288 PolarHBondContact OD1-NH2 2.97Å; P1170-R1288 HydrophobicContact CG-CG 4.43Å; T1284-R1288 WeakPolarHBondContact O-CB 3.38Å; T1284-R1288 WeakPolarHBondContact O-CG 3.48Å; T1284-R1288 PolarHBondContact O-N 3.03Å; S1285-R1288 PolarHBondContact O-N 3Å; R1288-V1292 HydrophobicContact CG-CG2 4.49Å; R1288-V1292 WeakPolarHBondContact O-CA 3.45Å; R1288-V1292 WeakPolarHBondContact O-CB 3.49Å; R1288-V1292 PolarHBondContact O-N 3.19Å; R1288-V1292 VanDerWaalsContact O-N 3.09Å; R1288-E1293 PolarHBondContact O-N 3.29Å
1289H88.2Confident75.3Confident50 Ų5056.9 Ų56.923%0.23132%0.322CS..Hα-helixtrans-62.2-57.6179.3-169.465.1000112.7E1257 I1259 S1285 Y1287 E1293 A1294E1257-H1289 PolarHBondContact O-CE1 3.31Å; E1257-H1289 PolarHBondContact O-NE2 3.2Å; I1259-H1289 HydrophobicContact CD1-CB 4.08Å; I1259-H1289 HydrophobicContact CG1-CB 3.85Å; S1285-H1289 PolarHBondContact O-N 2.73Å; Y1287-H1289 VanDerWaalsContact C-N 3.34Å; Y1287-H1289 PolarHBondContact O-N 3.46Å; H1289-E1293 WeakPolarHBondContact CA-OE2 3.27Å; H1289-E1293 IonicContact CE1-OE2 2.63Å; H1289-E1293 IonicContact CG-OE2 3.84Å; H1289-E1293 IonicContact ND1-OE2 2.62Å; H1289-E1293 PolarHBondContact ND1-OE2 3.49Å; H1289-A1294 PolarHBondContact O-N 3.02Å
1290Y87.9Confident72.4Confident30 Ų3063.4 Ų63.412%0.11836%0.362CS..Hα-helixtrans-80.2-19.7-171.5-73.2-68.7000115.7L1220 Y1223 E1257 I1259 V1286 A1294L1220-Y1290 HydrophobicContact CD2-CE2 3.84Å; Y1223-Y1290 VanDerWaalsContact CB-CE1 3.44Å; Y1223-Y1290 AromaticContact CD1-CD1 3.72Å; Y1223-Y1290 HydrophobicContact CD1-CD1 3.72Å; Y1223-Y1290 HydrophobicContact CD1-CE1 4.4Å; Y1223-Y1290 AromaticContact CD1-CG 3.87Å; Y1223-Y1290 HydrophobicContact CD1-CG 3.87Å; Y1223-Y1290 HydrophobicContact CD2-CD1 4.04Å; Y1223-Y1290 AromaticContact CD2-CD2 3.71Å; Y1223-Y1290 HydrophobicContact CD2-CD2 3.71Å; Y1223-Y1290 HydrophobicContact CD2-CE1 4.31Å; Y1223-Y1290 HydrophobicContact CD2-CE2 4.01Å; Y1223-Y1290 AromaticContact CD2-CG 3.72Å; Y1223-Y1290 HydrophobicContact CD2-CG 3.72Å; Y1223-Y1290 HydrophobicContact CE1-CD1 4.4Å; Y1223-Y1290 HydrophobicContact CE1-CG 4.13Å; Y1223-Y1290 AromaticContact CE2-CD2 4Å; Y1223-Y1290 HydrophobicContact CE2-CD2 4Å; Y1223-Y1290 AromaticContact CE2-CG 3.99Å; Y1223-Y1290 HydrophobicContact CE2-CG 3.99Å; Y1223-Y1290 AromaticContact CG-CD1 3.52Å; Y1223-Y1290 HydrophobicContact CG-CD1 3.52Å; Y1223-Y1290 HydrophobicContact CG-CD2 4.09Å; Y1223-Y1290 AromaticContact CG-CE1 3.82Å; Y1223-Y1290 HydrophobicContact CG-CE1 3.82Å; Y1223-Y1290 HydrophobicContact CG-CE2 4.35Å; Y1223-Y1290 AromaticContact CG-CG 3.66Å; Y1223-Y1290 HydrophobicContact CG-CG 3.66Å; E1257-Y1290 WeakPolarHBondContact CG-OH 3.35Å; I1259-Y1290 HydrophobicContact CD1-CD2 4.12Å; I1259-Y1290 HydrophobicContact CD1-CE2 3.51Å; V1286-Y1290 HydrophobicContact CG1-CD2 3.87Å; V1286-Y1290 HydrophobicContact CG1-CE2 4.16Å; V1286-Y1290 WeakPolarHBondContact O-CD2 3.33Å; V1286-Y1290 PolarHBondContact O-N 2.92Å; Y1290-A1294 WeakPolarHBondContact O-CB 3.45Å
1291E85.3Confident69.6Low47 Ų4769.7 Ų69.722%0.2240%0.402CS..Hα-helixtrans-123.8-5.4-172.4-55.9-94.3-137.200113.6W1190 R1194 Y1223 Y1287 L1295W1190-E1291 HydrophobicContact CZ2-CG 3.97Å; W1190-E1291 PolarHBondContact NE1-OE1 3.5Å; R1194-E1291 IonicContact CZ-OE1 2.65Å; R1194-E1291 VanDerWaalsContact CZ-OE1 3.24Å; R1194-E1291 IonicContact NE-OE1 2.77Å; R1194-E1291 PolarHBondContact NE-OE1 3.4Å; R1194-E1291 IonicContact NH2-OE1 3.82Å; R1194-E1291 PolarHBondContact NH2-OE1 3.28Å; R1194-E1291 IonicContact NH2-OE2 2.77Å; R1194-E1291 PolarHBondContact NH2-OE2 2.87Å; Y1223-E1291 PolarHBondContact OH-OE1 3.25Å; Y1287-E1291 HydrophobicContact CD2-CB 3.83Å; Y1287-E1291 HydrophobicContact CD2-CG 3.8Å; Y1287-E1291 HydrophobicContact CE2-CB 3.51Å; Y1287-E1291 HydrophobicContact CE2-CG 3.79Å; Y1287-E1291 WeakPolarHBondContact O-CB 3.34Å; Y1287-E1291 PolarHBondContact O-N 3.3Å; E1291-L1295 WeakPolarHBondContact O-CD1 3.35Å
1292V76.5Confident66.9Low40 Ų4070.1 Ų70.124%0.24242%0.419CS..THydrogen-bonded Turntrans-126.2-52-177.2-166.80000111.4P1170 Y1287 R1288 A1294 L1295P1170-V1292 HydrophobicContact CB-CB 4.4Å; P1170-V1292 HydrophobicContact CB-CG1 4.07Å; P1170-V1292 HydrophobicContact CB-CG2 3.45Å; P1170-V1292 VanDerWaalsContact CB-CG2 3.45Å; P1170-V1292 HydrophobicContact CG-CB 4.34Å; P1170-V1292 HydrophobicContact CG-CG1 3.67Å; P1170-V1292 HydrophobicContact CG-CG2 3.87Å; Y1287-V1292 HydrophobicContact CD1-CG2 4.45Å; Y1287-V1292 HydrophobicContact CE1-CG2 4.01Å; R1288-V1292 HydrophobicContact CG-CG2 4.49Å; R1288-V1292 WeakPolarHBondContact O-CA 3.45Å; R1288-V1292 WeakPolarHBondContact O-CB 3.49Å; R1288-V1292 PolarHBondContact O-N 3.19Å; R1288-V1292 VanDerWaalsContact O-N 3.09Å; V1292-A1294 VanDerWaalsContact C-N 3.26Å; V1292-A1294 PolarHBondContact O-N 3.36Å; V1292-L1295 WeakPolarHBondContact O-CB 3.37Å; V1292-L1295 PolarHBondContact O-N 3.46Å
1293E65Low64.1Low111 Ų11175.8 Ų75.852%0.51946%0.459SS..G310 helixtrans-64.5-35.7173.2-70159.8-155.700110.4R1288 H1289 L1295 N1296R1288-E1293 PolarHBondContact O-N 3.29Å; H1289-E1293 WeakPolarHBondContact CA-OE2 3.27Å; H1289-E1293 IonicContact CE1-OE2 2.63Å; H1289-E1293 IonicContact CG-OE2 3.84Å; H1289-E1293 IonicContact ND1-OE2 2.62Å; H1289-E1293 PolarHBondContact ND1-OE2 3.49Å; E1293-L1295 PolarHBondContact O-N 3.14Å; E1293-L1295 VanDerWaalsContact O-N 3.08Å; E1293-N1296 PolarHBondContact O-N 3.27Å
1294A57.7Low61.5Low67 Ų6783.1 Ų83.155%0.55450%0.496SS*.G310 helixtrans-59.4-14170.600000115.4H1289 Y1290 V1292H1289-A1294 PolarHBondContact O-N 3.02Å; Y1290-A1294 WeakPolarHBondContact O-CB 3.45Å; V1292-A1294 VanDerWaalsContact C-N 3.26Å; V1292-A1294 PolarHBondContact O-N 3.36Å
1295L49.4Very low58.8Low133 Ų13393.4 Ų93.470%0.69655%0.55SS**G310 helixtrans-93.5-10.1174.9-65.2174.9000113.5E1291 V1292 E1293 P1297E1291-L1295 WeakPolarHBondContact O-CD1 3.35Å; V1292-L1295 WeakPolarHBondContact O-CB 3.37Å; V1292-L1295 PolarHBondContact O-N 3.46Å; E1293-L1295 PolarHBondContact O-N 3.14Å; E1293-L1295 VanDerWaalsContact O-N 3.08Å; L1295-P1297 VanDerWaalsContact C-CD 3.48Å; L1295-P1297 WeakPolarHBondContact O-CD 3.42Å
1296N41.3Very low57.1Low114 Ų11496.5 Ų96.561%0.6157%0.567SS**  trans-118.874.7176.6-79.9-23.6000111.2E1293 S1298E1293-N1296 PolarHBondContact O-N 3.27Å; N1296-S1298 PolarHBondContact O-N 3.29Å
1297P38.8Very low55.3Low129 Ų129101.4 Ų101.484%0.83860%0.596SS**  trans-76.139.3-176.234.5-39000113.7L1295L1295-P1297 VanDerWaalsContact C-CD 3.48Å; L1295-P1297 WeakPolarHBondContact O-CD 3.42Å
1298S33Very low53.3Low96 Ų96106 Ų10667%0.67163%0.625SS**SBendtrans-138.725.3-163.965.40000116N1296N1296-S1298 PolarHBondContact O-N 3.29Å
1299T33.6Very low51.1Low126 Ų126106.8 Ų106.877%0.77364%0.641SS**SBendtrans-146.27.8176.78.20000117.3
1300T32.9Very low48.8Very low138 Ų138110.4 Ų110.485%0.84767%0.667SS**  trans-132.257.9-174.4-37.80000114.6
1301T34.4Very low46.2Very low150 Ų150115.7 Ų115.792%0.9270%0.704SS**  trans-139.996.8158.245.70000109.6
1302G36.1Very low43.4Very low75 Ų75120.6 Ų120.677%0.77374%0.738SS**  trans-161.477.6-171.600000113.6
1303S35.7Very low40.9Very low120 Ų120126.8 Ų126.884%0.83978%0.776SS**  trans69.1107169.7-156.70000117.6
1304I40.2Very low38.9Very low155 Ų155128.2 Ų128.280%0.79580%0.798SS**  -156.3137122.6-94153.2000105.8
1305D33.4Very low37.2Very low235 Ų235133.7 Ų133.7100%1.25782%0.82SS**  trans58.20-177.4-62-7.4000118

Retrieved 1,305 of 1,305 residues in 497.6 ms (Link to these results)