A0A075B739_HUMAN Loading...

Coiled-coil domain containing 187

AlphaFold DB , UniProt , Accession A0A075B739, Species HUMAN (Homo sapiens, Human), Gene CCDC187, Length 953 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
1M27.7Very low36.5Very low229 Ų229127.1 Ų127.1100%1.12878%0.78SS**  0157.20-79.9-71.599.100108.5
2P47.4Very low35.8Very low104 Ų104126.8 Ų126.868%0.67579%0.785SS**  trans-96.6-158.2-16021.7-0.2000110.4
3T32.9Very low35.5Very low106 Ų106130.2 Ų130.265%0.6579%0.793SS**  cis-171.6129.730.8-37.10000112.3
4L35.2Very low35Very low157 Ų157125.9 Ų125.982%0.82279%0.788SS**  trans48.1-178.8145-56.3177.4000118.9
5V34.1Very low34.6Very low114 Ų114128.3 Ų128.369%0.69179%0.793SS**  cis-146.5128.42.589.40000108.2
6V31.6Very low34.5Very low132 Ų132128 Ų12880%0.879%0.791SS**  67.6133.4111.8176.50000117.1
7G32.6Very low34.7Very low77 Ų77127.6 Ų127.679%0.79479%0.791SS**  trans-179.623.7178.200000118.4
8T32.5Very low34.4Very low134 Ų134130.2 Ų130.282%0.82279%0.792SS**  trans-90171.6165.930.60000110.3
9P46Very low34.7Very low115 Ų115128.5 Ų128.575%0.74778%0.784SS**  cis-134.7-149.520.544-22000111.7
10P50.1Low34.2Very low103 Ų103127.4 Ų127.467%0.66978%0.781SS**  cis-138.1153.6-6.440.9-21.9000119.4
11T31.6Very low34.1Very low127 Ų127129.7 Ų129.778%0.77978%0.782SS**  trans43.8123.4140.762.20000123.7
12C28Very low34.2Very low124 Ų124128.8 Ų128.884%0.83877%0.772SS**  -136119.6104.4-83.10000107.9
13L31.6Very low33.5Very low171 Ų171131.8 Ų131.890%0.89578%0.782SS**  79.7108.481.2-127.6172.7000113.1
14G29.1Very low33.4Very low70 Ų70132.2 Ų132.272%0.72279%0.789SS**  trans141.8126.8178.700000112.9
15D29.3Very low33.2Very low161 Ų161131.9 Ų131.986%0.86178%0.784SS**  trans-95.5167.7-161.2-90.6-66.4000118.1
16T32.3Very low33.1Very low124 Ų124136.5 Ų136.576%0.76179%0.789SS**  trans-78.5-178.9-176.760.30000113.2
17P37.6Very low33.1Very low122 Ų122139.4 Ų139.479%0.79279%0.794SS**  cis-140.3-1788.138.6-16.1000118.9
18Q30Very low32.8Very low173 Ų173139 Ų13981%0.80879%0.79SS**  trans-66.8-171.9162.6-117.6-171.711.300112.7
19P39.2Very low33.6Very low99 Ų99137.5 Ų137.564%0.64378%0.782SS**  cis-141.5175.3-731-7.1000118.3
20C25.5Very low32.8Very low106 Ų106141.1 Ų141.172%0.71679%0.786SS**  trans55.1124.6141.4-71.70000125.6
21H32.7Very low31.9Very low176 Ų176139.9 Ų139.982%0.81578%0.78SS**  trans48.6121.3137.6-72.5-75.4000122.8
22K29.6Very low31.8Very low210 Ų210142.7 Ų142.791%0.91378%0.784SS**  -174.9168.5119.3-104.1157.4-173169.40115
23N31.4Very low31.9Very low166 Ų166140.9 Ų140.989%0.88879%0.787SS**  trans-93.6142.2174.7-64.2-44.9000112.4
24S30.6Very low31.9Very low115 Ų115137.4 Ų137.480%0.80478%0.782SS**  trans-166.7123.1139.1-152.50000108.1
25Q32.6Very low32.7Very low151 Ų151139.9 Ų139.971%0.70679%0.786SS**  67.1111.863.3-111.5-154.960.800117.3
26R31.9Very low32.7Very low211 Ų211136 Ų13680%0.79678%0.784SS**  trans68.9143.4158.4-58.4174.9179.7-90.5-2.1115.4
27Q30.4Very low32.6Very low192 Ų192141.6 Ų141.690%0.89779%0.791SS**  cis-142.4176.640.6-67.5167.976.800113.4
28G27.8Very low32.2Very low69 Ų69140.5 Ų140.571%0.71179%0.792SS**  trans-102-143.416100000109.9
29P47.5Very low32.2Very low102 Ų102136.4 Ų136.466%0.66279%0.787SS**  cis-137.1-172.2-1.326.5-0.5000114.4
30F30.7Very low31.8Very low191 Ų191139.3 Ų139.384%0.83880%0.798SS**  trans68.7154.3162.6-58.3-56.8000117.4
31S31.1Very low31.9Very low77 Ų77145.4 Ų145.454%0.53881%0.806SS.*  cis-162165.6-14.2-1280000113
32H29.6Very low31.9Very low187 Ų187146.5 Ų146.587%0.86681%0.808SS**  trans54.2139.2155.6-54.4-52.5000121
33G28.6Very low31.8Very low86 Ų86140.3 Ų140.389%0.88780%0.796SS**  trans160.959.117300000116.5
34A31.7Very low31.7Very low97 Ų97139 Ų13980%0.80279%0.794SS**  trans-156.8160.9171.700000110.2
35P46.5Very low31.5Very low123 Ų123138 Ų13880%0.79979%0.793SS**  cis-126.5172.23.141.4-27.6000114.9
36G28.6Very low31.7Very low79 Ų79140.8 Ų140.881%0.81480%0.802SS**  trans-132.7133.116100000110.7
37R31.1Very low31.9Very low242 Ų242136.7 Ų136.791%0.91380%0.803SS**  trans-124139.6176.5-76.2179.5171.5-102.95.4109.6
38A28.8Very low32Very low98 Ų98139 Ų13981%0.8180%0.804SS**  153.4158.1118.800000114.2
39A29.8Very low31.9Very low87 Ų87144.1 Ų144.172%0.71981%0.814SS**  trans64.1101152.500000121
40D30.9Very low30.9Very low160 Ų160145.2 Ų145.286%0.85682%0.822SS**  16.7130.1127.2-56.3-39.3000121.2
41W28.7Very low30.7Very low235 Ų235140.3 Ų140.389%0.8982%0.817SS**  -160.8171.1126.654.2-77.3000112.2
42K31.1Very low31.5Very low198 Ų198142.5 Ų142.586%0.86183%0.83SS**  trans-111.8135.7-174.6-65.5177179.5174.40113.2
43A29.1Very low31.4Very low81 Ų81138 Ų13867%0.66983%0.825SS**  trans-162.9139.2144.500000106.9
44V28.6Very low31.4Very low139 Ų139138.3 Ų138.384%0.84282%0.819SS**  cis6980.229.5-1680000114.1
45A27.1Very low31.5Very low94 Ų94141.3 Ų141.378%0.77782%0.817SS**  trans178.5148.6132.200000111.4
46K36.5Very low30.8Very low208 Ų208142.4 Ų142.490%0.90482%0.816SS**  trans-129.4127157-75.8-172.1178.8-174.40108.1
47P35Very low30.9Very low125 Ų125145.9 Ų145.981%0.81282%0.816SS**  trans-84.4155155.533-29.4000110.7
48R33.2Very low31Very low241 Ų241140.5 Ų140.591%0.90981%0.809SS**  trans-112.1156.1160.5-69.2176.5171179-4.2107.6
49L26.6Very low31Very low176 Ų176141 Ų14192%0.92181%0.813SS**  trans-171.9163.2134.7-101.3164.3000110.1
50C25.7Very low31Very low125 Ų125141.7 Ų141.785%0.84582%0.819SS**  trans-101.7179.2175.5-47.50000109
51A26.3Very low31Very low88 Ų88142.8 Ų142.873%0.72782%0.824SS**  cis-157-146.210.100000106.7
52P48.9Very low31Very low123 Ų123141.4 Ų141.480%0.79982%0.819SS**  cis-136.8172.3-19.240.8-22.3000117.2
53A27.8Very low30.9Very low92 Ų92143.1 Ų143.176%0.7682%0.82SS**  trans31.7129.6142.900000126.2
54A28.2Very low31.3Very low93 Ų93144.1 Ų144.177%0.76982%0.819SS**  -164.9118.7126.600000106.6
55E32.6Very low31.2Very low161 Ų161140.9 Ų140.975%0.75282%0.815SS**  44.7134.684.4-40-45.4170.600114.8
56D32.4Very low31.5Very low145 Ų145143 Ų14378%0.77582%0.82SS**  cis-146.7159.110.9-115.8-53.1000110.4
57D31.6Very low31.3Very low153 Ų153138.6 Ų138.682%0.81882%0.816SS**  173.7155.7120.5-130.2-29.6000115
58V32.2Very low31.1Very low129 Ų129140.9 Ų140.978%0.78282%0.815SS**  trans-90.4146.5-164.3-750000117.6
59A28.4Very low31.1Very low107 Ų107137.7 Ų137.788%0.88481%0.811SS**  179.4146.4123.900000112.5
60A31.1Very low31.5Very low103 Ų103134.8 Ų134.885%0.85180%0.802SS**  trans-112.1159-165.100000116.6
61L31Very low31.5Very low182 Ų182136 Ų13695%0.95380%0.8SS**  trans-68.8141.6174.2-66.4158.3000112.6
62R27.4Very low33.2Very low206 Ų206137.4 Ų137.478%0.77780%0.803SS**  trans-154.6123.7163.6177.5-177.4-102.8-122.52.4112.3
63W28.7Very low33Very low235 Ų235137 Ų13789%0.8980%0.799SS**  trans-159.9151.4139.2-82.7124.6000107.2
64P39Very low32.8Very low101 Ų101144.1 Ų144.166%0.65681%0.807SS**  -125.2165.4-114.241.4-32.1000117.3
65G25.3Very low32.6Very low72 Ų72143.1 Ų143.174%0.74280%0.799SS**  trans92.7123.8166.100000113.2
66P34.6Very low32.4Very low137 Ų137140.1 Ų140.189%0.8980%0.802SS**  -126.3165.463.939.3-31.4000115.3
67S31.6Very low32.9Very low117 Ų117137.6 Ų137.682%0.81879%0.793SS**  trans-115.2160.5176.452.80000112.7
68Q31.1Very low32.7Very low172 Ų172138.5 Ų138.580%0.80479%0.792SS**  trans-63.7149.4-175.1-66.7165.212.900112.4
69Q32.3Very low32.8Very low175 Ų175138.2 Ų138.282%0.81879%0.79SS**  68141.359-138.6-165.4-22.900112.2
70P36.5Very low32.9Very low114 Ų114140 Ų14074%0.7479%0.79SS**  cis-127.8-161.7-2.943.6-26000115
71D26Very low32.7Very low150 Ų150138.3 Ų138.380%0.80278%0.783SS**  trans-85.4-177.4176.8-43-92.4000115.5
72P60.8Low32.5Very low119 Ų119134.6 Ų134.677%0.77377%0.772SS**  cis-115.2-99.3-24.926.2-3.6000112.3
73P43.9Very low32.5Very low113 Ų113131.5 Ų131.573%0.73477%0.771SS**  cis-125.1-145.1-7.544.6-25.3000114.9
74W24Very low32.6Very low242 Ų242126.8 Ų126.892%0.91776%0.763SS**  trans-72.9173176.1-97.4-122.2000114.8
75A24.4Very low32.1Very low73 Ų73128.5 Ų128.560%0.60377%0.766SS**  cis171.8135.7-35.600000111.2
76A28.4Very low32.2Very low98 Ų98134 Ų13481%0.8177%0.77SS**  trans61.2-172.9158.300000116.2
77P43Very low32.4Very low92 Ų92136 Ų13660%0.59777%0.767SS**  cis-134.9-176-8.3233.2000115.6
78H28.2Very low32.5Very low171 Ų171136.5 Ų136.579%0.79277%0.767SS**  trans77.7148.7157.8-55.9-49.1000120.1
79V32.7Very low32.2Very low123 Ų123131.2 Ų131.275%0.74576%0.759SS**  cis-168156.7-29.790.10000110.7
80V31Very low32.6Very low145 Ų145128.1 Ų128.188%0.87975%0.754SS**  trans62.7142.2167164.30000116.9
81G27.6Very low32Very low68 Ų68134.9 Ų134.970%0.70177%0.765SS**  cis-162.7169.2-7.200000107.4
82S27.2Very low32.1Very low104 Ų104131 Ų13173%0.72776%0.76SS**  cis-149.8129.329.8164.30000110.6
83D27.6Very low30.5Very low141 Ų141134.8 Ų134.875%0.75477%0.765SS**  31.9134.1117.3-44.6-7.4000118.8
84D29.3Very low29.5Very low135 Ų135133.3 Ų133.372%0.72276%0.762SS**  cis-163.7168.6-13.9-150.7-6.1000113
85L28.9Very low29.8Very low137 Ų137127.8 Ų127.872%0.71776%0.759SS**  trans29.5113.3151.8-80.2162.7000119.9
86K27.4Very low29.9Very low188 Ų188129.1 Ų129.182%0.81776%0.764SS**  161.2167.789.2-154.9150.9-174.8169.10112.6
87E39.1Very low30.1Very low178 Ų178131.9 Ų131.983%0.83276%0.764SS**  trans-60.9151.5-178-58.1-177.4140.700115
88P33.1Very low30Very low128 Ų128132 Ų13283%0.83177%0.765SS**  -115.8144.3118.334.6-31.8000110.2
89G24.3Very low29.7Very low61 Ų61131.3 Ų131.363%0.62976%0.764SS**  cis122.8139.619.400000109.3
90P41.5Very low29.3Very low110 Ų110137.1 Ų137.171%0.71477%0.773SS**  trans-92.4149.4-169.735.3-35.5000113.8
91W23.5Very low29.7Very low257 Ų257135.3 Ų135.397%0.97377%0.767SS**SBendtrans-107.5110.3144.1-75.925.3000105.5
92G27.8Very low29.7Very low68 Ų68138.8 Ų138.870%0.70178%0.775SS**  cis-105.1126.94700000118.7
93K27.1Very low29.6Very low198 Ų198136.8 Ų136.886%0.86177%0.771SS**  -137.6156.5125.2-93.8176.4179.71770106.7
94A24.4Very low30.2Very low83 Ų83135.8 Ų135.869%0.68677%0.771SS**  cis-125.9146.47.300000112.6
95C29.9Very low30.3Very low125 Ų125136.8 Ų136.885%0.84577%0.772SS**  trans-83.3111.2151.7-60.80000108.2
96S26.8Very low30.5Very low102 Ų102134.1 Ų134.171%0.71377%0.77SS**  trans-144.6109.5156.1-680000105.7
97L32.3Very low30.8Very low155 Ų155134.9 Ų134.981%0.81277%0.767SS**  61.9136.764.9-65.2164.5000112.5
98P40.7Very low30.4Very low96 Ų96132.6 Ų132.662%0.62376%0.761SS**  cis-140.7-169-12.632.2-8.5000114.4
99M22Very low30.3Very low156 Ų156128.8 Ų128.877%0.76875%0.745SS**  trans85.4125.6154.5-61.6-171.1-65.600121.4
100W24.5Very low30.3Very low244 Ų244133.3 Ų133.392%0.92476%0.755SS**  trans51139.2133.6-66.174.5000121.9
101S38.4Very low29.7Very low107 Ų107132.5 Ų132.575%0.74875%0.752SS**  trans-81.9144177.152.40000114
102T28.1Very low29.9Very low142 Ų142125.5 Ų125.587%0.87174%0.742SS**  trans-139.5146.3153.1-37.40000109.4
103G25.8Very low30.3Very low62 Ų62128.6 Ų128.664%0.63975%0.747SS**  trans-71.4-171.4162.100000112
104P38.6Very low30.5Very low119 Ų119124.4 Ų124.477%0.77374%0.743SS**  -142.3-173.464.740.1-23.5000115.6
105E31.9Very low30.7Very low156 Ų156125.1 Ų125.173%0.72974%0.743SS**  trans-21.6156.9154.6-91.173.6-177.900117.3
106A32.7Very low30.7Very low82 Ų82122.6 Ų122.668%0.67874%0.738SS**  cis-148.8148.526.600000112.1
107R33.4Very low30.8Very low203 Ų203128.2 Ų128.277%0.76674%0.743SS**  64.7133.691.9-61.5-74.3-179.9173.7-0.6114.6
108D31.9Very low30.6Very low130 Ų130128.1 Ų128.170%0.69574%0.743SS**  cis-162.2171.4-11.3-143.8-31000109.9
109G30.1Very low30.1Very low49 Ų49128.9 Ų128.951%0.50575%0.75SS.*  trans82.6115.515600000118.9
110D25.6Very low30.2Very low156 Ų156127.1 Ų127.183%0.83475%0.752SS**  63.1152.3124.6-73.7-44.7000122.1
111S28Very low30.6Very low93 Ų93120.9 Ų120.965%0.6575%0.746SS**  cis-170.7-177.5-26.4-116.50000109.3
112S29.1Very low30.4Very low109 Ų109121.7 Ų121.776%0.76275%0.751SS**  trans66104.2152.1-64.50000120
113V35.4Very low30.6Very low134 Ų134118.6 Ų118.681%0.81275%0.748SS**  -15.4130.2128.8-174.90000114.8
114S31.4Very low30.8Very low110 Ų110118.9 Ų118.977%0.76975%0.75SS**  trans-136.1126.8151.3-152.10000107.7
115S28.8Very low30.4Very low98 Ų98122.3 Ų122.369%0.68576%0.756SS**  cis73.3130.243.1-57.20000112.9
116G28.6Very low30.5Very low71 Ų71122 Ų12273%0.73276%0.759SS**  trans92.296.2-161.600000110.4
117R30.6Very low30.3Very low221 Ų221124.6 Ų124.683%0.83477%0.767SS**  cis66.8126.625.4-154.9-162.7-121-85.93.9112.5
118L26.9Very low30.4Very low152 Ų152120.6 Ų120.680%0.79677%0.768SS**  trans71.4152.1-179-40.8179.6000113
119S29.4Very low30.2Very low112 Ų112120.5 Ų120.578%0.78377%0.772SS**  cis-145.8170.9-3-1490000112.4
120C25.9Very low30.1Very low120 Ų120122.4 Ų122.481%0.81178%0.777SS**  trans-74.9130.6175.9-54.60000112.3
121S32.4Very low30.2Very low112 Ų112126.8 Ų126.878%0.78378%0.782SS**  trans-163.3128.2147.5-90.60000108.5
122S33.5Very low30.3Very low124 Ų124132.8 Ų132.887%0.86780%0.797SS**  75.511769.6-165.50000110.9
123G32.6Very low30.3Very low78 Ų78134.5 Ų134.580%0.80479%0.793SS**  trans14855.2-168.900000112.6
124G29.3Very low30.2Very low67 Ų67137.8 Ų137.869%0.69179%0.791SS**  trans-81.4137.6162.100000109.5
125H30.7Very low30.6Very low192 Ų192138.1 Ų138.189%0.88979%0.79SS**  -178.1148.9123.2-103.1-76.9000110.7
126D34.6Very low31.3Very low148 Ų148138.1 Ų138.179%0.79179%0.788SS**  trans-65.7157.2169.2-58.5-90.7000112.3
127V28.6Very low31.4Very low138 Ų138142.4 Ų142.484%0.83679%0.789SS**  -169146.6109.2144.70000110.2
128C34.7Very low31.5Very low119 Ų119138.9 Ų138.980%0.80479%0.791SS**  trans-103.8125.9-177.1175.90000112.4
129V28.6Very low31.8Very low127 Ų127137.9 Ų137.977%0.7779%0.786SS**  trans-160.4149.1163-91.50000109.4
130S27.3Very low32.1Very low89 Ų89135.5 Ų135.562%0.62278%0.779SS**  cis-165.6135-26.852.20000111.6
131W26.9Very low32.6Very low248 Ų248136 Ų13694%0.93978%0.781SS**  trans42.9114.1135.1-58.339.2000119.5
132K30Very low32.7Very low220 Ų220137.9 Ų137.996%0.95778%0.777SS**  trans-150.2162.3140.3-124.2175-175.3178.90111.9
133E30.4Very low32.9Very low145 Ų145140.8 Ų140.868%0.67878%0.777SS**  trans-130.8124.2-150.2166.2164.9-151.900114.8
134R33.3Very low33.2Very low203 Ų203147.6 Ų147.677%0.76678%0.779SS**  trans64.6176.7149.9-89.2178179.6142.5-6.7118.3
135P40.1Very low34Very low117 Ų117149.7 Ų149.776%0.7678%0.78SS**  cis-123.4-155.616.151.3-35.3000113.4
136P42.5Very low35.1Very low97 Ų97151.7 Ų151.763%0.6378%0.78SS**  -133.3-171.9-123.433.4-7.1000115.9
137Q31.7Very low36.1Very low161 Ų161155 Ų15575%0.75279%0.787SS**  trans71.4105.4163.1-52.7176.524.800118.7
138V32.1Very low37.9Very low147 Ų147151 Ų15189%0.89177%0.766SS**  -130.6128.9114.6178.30000107.1
139L34.1Very low39.8Very low132 Ų132151.1 Ų151.169%0.69176%0.758SS**  trans-86.7128.5173.8-83.877.3000110.1
140G35.6Very low42.2Very low61 Ų61149.2 Ų149.263%0.62976%0.756SS**  trans-64.9155159.300000111.1Q142G140-Q142 PolarHBondContact O-N 3.37Å; G140-Q142 VanDerWaalsContact O-N 3.09Å
141P36.5Very low44.6Very low131 Ų131155 Ų15585%0.85176%0.764SS**  trans-57.6115-169.8-28.136.3000114.3Q143P141-Q143 PolarHBondContact O-N 3.29Å; P141-Q143 VanDerWaalsContact O-N 3.12Å
142Q32.8Very low47.4Very low151 Ų151146.6 Ų146.671%0.70674%0.737SS**  trans-63.7110.9173.2-177.3-169.490.600109.7G140 R144G140-Q142 PolarHBondContact O-N 3.37Å; G140-Q142 VanDerWaalsContact O-N 3.09Å; Q142-R144 PolarHBondContact O-N 3.33Å
143Q39.3Very low50.3Low186 Ų186138.5 Ų138.587%0.86970%0.702SS**  trans-62.8112.6167.2-72.1-162.415.500108.8P141 P145P141-Q143 PolarHBondContact O-N 3.29Å; P141-Q143 VanDerWaalsContact O-N 3.12Å; Q143-P145 WeakPolarHBondContact O-CD 3.45Å
144R38.2Very low52.9Low221 Ų221137.7 Ų137.783%0.83470%0.699SS**PPolyproline II helixtrans-53.9125177.8-71.7-179.7173.8175.9-2.4109.7Q142 R146Q142-R144 PolarHBondContact O-N 3.33Å; R144-R146 PolarHBondContact O-N 3.49Å
145P45.4Very low55.6Low111 Ų111132.6 Ų132.672%0.72169%0.686SS**PPolyproline II helixtrans-54.5125.7166.4-2434.2000109.1Q143 K147Q143-P145 WeakPolarHBondContact O-CD 3.45Å; P145-K147 PolarHBondContact O-N 3.17Å
146R54Low58Low234 Ų234132.2 Ų132.288%0.88367%0.669SS**PPolyproline II helixtrans-58.4134167.4-72.8-176.4174.7-174.2-2.3107.5R144 S148R144-R146 PolarHBondContact O-N 3.49Å; R146-S148 PolarHBondContact O-N 3.15Å
147K55.4Low60.3Low216 Ų216131.4 Ų131.494%0.93966%0.66SS**  trans-46.2107176.7-62.9178.7180-178.90109.1P145P145-K147 PolarHBondContact O-N 3.17Å
148S66.3Low63.1Low56 Ų56130.8 Ų130.839%0.39266%0.655SS.*  trans-89.4147.4175.348.80000109.7R146 A150 E153R146-S148 PolarHBondContact O-N 3.15Å; S148-A150 PolarHBondContact O-N 2.98Å; S148-E153 WeakPolarHBondContact CB-OE2 3.41Å; S148-E153 PolarHBondContact OG-OE2 2.92Å
149D75.4Confident65.9Low121 Ų121128.4 Ų128.465%0.64764%0.636SS**  trans-60.6131.9177.9-58.6-61000110R151 L152 E153D149-R151 PolarHBondContact O-N 3.29Å; D149-L152 HydrophobicContact CB-CB 4.2Å; D149-L152 WeakPolarHBondContact O-CA 3.44Å; D149-L152 WeakPolarHBondContact O-CB 3.41Å; D149-L152 PolarHBondContact O-N 3.26Å; D149-E153 PolarHBondContact O-N 3.38Å; D149-E153 VanDerWaalsContact O-N 3.08Å
150A79.1Confident68.6Low86 Ų86128.1 Ų128.171%0.71163%0.626SS**Hα-helixtrans-54.2-31.9-179.700000112.6S148 Q154S148-A150 PolarHBondContact O-N 2.98Å; A150-Q154 VanDerWaalsContact O-CB 3.26Å; A150-Q154 WeakPolarHBondContact O-CB 3.38Å; A150-Q154 PolarHBondContact O-N 3.27Å
151R77.3Confident70.6Confident212 Ų212127.8 Ų127.880%0.862%0.617SS**Hα-helixtrans-68.6-32.6174.4-169.2-179.3-177-160.32.1113.5D149 L155D149-R151 PolarHBondContact O-N 3.29Å; R151-L155 WeakPolarHBondContact O-CB 3.48Å; R151-L155 PolarHBondContact O-N 3.15Å; R151-L155 VanDerWaalsContact O-N 3.13Å
152L86.1Confident72.6Confident71 Ų71128.1 Ų128.137%0.37261%0.607SS.*Hα-helixtrans-73.8-40.9175.4-179.763.2000110.7D149 L155 R156D149-L152 HydrophobicContact CB-CB 4.2Å; D149-L152 WeakPolarHBondContact O-CA 3.44Å; D149-L152 WeakPolarHBondContact O-CB 3.41Å; D149-L152 PolarHBondContact O-N 3.26Å; L152-L155 PolarHBondContact O-N 2.84Å; L152-R156 WeakPolarHBondContact O-CG 3.46Å; L152-R156 PolarHBondContact O-N 2.99Å
153E90.4Very high74.5Confident49 Ų49123.9 Ų123.923%0.22960%0.598CS.*Hα-helixtrans-69-43.1176.3-130.657.6-129.600111.4S148 D149 L155 R156 D157S148-E153 WeakPolarHBondContact CB-OE2 3.41Å; S148-E153 PolarHBondContact OG-OE2 2.92Å; D149-E153 PolarHBondContact O-N 3.38Å; D149-E153 VanDerWaalsContact O-N 3.08Å; E153-L155 PolarHBondContact O-N 2.93Å; E153-R156 CarbonylContact O-C 3.53Å; E153-R156 WeakPolarHBondContact O-CA 3.41Å; E153-R156 WeakPolarHBondContact O-CB 3.23Å; E153-R156 PolarHBondContact O-N 3.24Å; E153-R156 WeakPolarHBondContact OE1-CD 3.39Å; E153-R156 IonicContact OE1-CZ 2.85Å; E153-R156 IonicContact OE1-NE 3.2Å; E153-R156 IonicContact OE1-NH1 2.88Å; E153-R156 PolarHBondContact OE1-NH1 3.41Å; E153-R156 IonicContact OE2-CZ 2.67Å; E153-R156 IonicContact OE2-NH1 2.68Å; E153-R156 PolarHBondContact OE2-NH1 3.05Å; E153-D157 PolarHBondContact O-N 3.28Å
154Q85.3Confident75.7Confident129 Ų129124.5 Ų124.560%0.60359%0.593SS**Hα-helixtrans-58.1-34.3171.6-169.6-173.933.700112.9A150 K158A150-Q154 VanDerWaalsContact O-CB 3.26Å; A150-Q154 WeakPolarHBondContact O-CB 3.38Å; A150-Q154 PolarHBondContact O-N 3.27Å; Q154-K158 PolarHBondContact O-N 2.88Å
155L89.8Confident76.5Confident96 Ų96120.8 Ų120.850%0.50359%0.585SS.*Hα-helixtrans-69.5-41.3172.9178.860.7000111.6R151 L152 E153 D157 K158 I159R151-L155 WeakPolarHBondContact O-CB 3.48Å; R151-L155 PolarHBondContact O-N 3.15Å; R151-L155 VanDerWaalsContact O-N 3.13Å; L152-L155 PolarHBondContact O-N 2.84Å; E153-L155 PolarHBondContact O-N 2.93Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-K158 PolarHBondContact O-N 3.41Å; L155-I159 HydrophobicContact CD1-CD1 4.38Å; L155-I159 HydrophobicContact CG-CD1 4.15Å; L155-I159 VanDerWaalsContact O-CG1 3.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.25Å; L155-I159 PolarHBondContact O-N 3.41Å
156R91.4Very high77Confident108 Ų108122.9 Ų122.941%0.40859%0.585SS.*Hα-helixtrans-63.4-38.6173.9-70163.7172.9-176.5-0.4111.7L152 E153 I159 R160L152-R156 WeakPolarHBondContact O-CG 3.46Å; L152-R156 PolarHBondContact O-N 2.99Å; E153-R156 CarbonylContact O-C 3.53Å; E153-R156 WeakPolarHBondContact O-CA 3.41Å; E153-R156 WeakPolarHBondContact O-CB 3.23Å; E153-R156 PolarHBondContact O-N 3.24Å; E153-R156 WeakPolarHBondContact OE1-CD 3.39Å; E153-R156 IonicContact OE1-CZ 2.85Å; E153-R156 IonicContact OE1-NE 3.2Å; E153-R156 IonicContact OE1-NH1 2.88Å; E153-R156 PolarHBondContact OE1-NH1 3.41Å; E153-R156 IonicContact OE2-CZ 2.67Å; E153-R156 IonicContact OE2-NH1 2.68Å; E153-R156 PolarHBondContact OE2-NH1 3.05Å; R156-I159 PolarHBondContact O-N 3.07Å; R156-R160 WeakPolarHBondContact O-CG 3.4Å; R156-R160 PolarHBondContact O-N 3.16Å
157D90.4Very high76.9Confident81 Ų81114 Ų11443%0.43357%0.566SS.*Hα-helixtrans-67.1-38.9173.8-76.7-52.3000112.8E153 L155 I159 R160 A161E153-D157 PolarHBondContact O-N 3.28Å; L155-D157 VanDerWaalsContact C-N 3.34Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 3.09Å; D157-R160 PolarHBondContact O-N 3.16Å; D157-R160 IonicContact OD1-CZ 3.7Å; D157-R160 IonicContact OD1-NE 2.85Å; D157-R160 PolarHBondContact OD1-NE 3.09Å; D157-R160 IonicContact OD1-NH2 3.77Å; D157-R160 PolarHBondContact OD1-NH2 3.26Å; D157-R160 IonicContact OD2-NH2 3.71Å; D157-R160 PolarHBondContact OD2-NH2 2.97Å; D157-A161 WeakPolarHBondContact O-CB 3.49Å; D157-A161 PolarHBondContact O-N 2.97Å
158K90.9Very high76.5Confident148 Ų148108.1 Ų108.164%0.64355%0.552SS**Hα-helixtrans-59.9-41.6168.8-87-171.2169.1-175.60112.3Q154 L155 A161 Q162Q154-K158 PolarHBondContact O-N 2.88Å; L155-K158 PolarHBondContact O-N 3.41Å; K158-A161 PolarHBondContact O-N 3.28Å; K158-Q162 VanDerWaalsContact O-CB 3.22Å; K158-Q162 WeakPolarHBondContact O-CB 3.34Å; K158-Q162 PolarHBondContact O-N 2.84Å
159I90.3Very high75.4Confident97 Ų97110.9 Ų110.950%0.49757%0.57SS.*Hα-helixtrans-66-42.5176.4-67.7162.8000110.9L155 R156 D157 Q162 A163L155-I159 HydrophobicContact CD1-CD1 4.38Å; L155-I159 HydrophobicContact CG-CD1 4.15Å; L155-I159 VanDerWaalsContact O-CG1 3.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.25Å; L155-I159 PolarHBondContact O-N 3.41Å; R156-I159 PolarHBondContact O-N 3.07Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 3.09Å; I159-Q162 PolarHBondContact O-N 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.12Å; I159-A163 PolarHBondContact O-N 2.98Å
160R90.9Very high73.8Confident126 Ų126109.1 Ų109.148%0.47557%0.572SS.*Hα-helixtrans-59.2-49.6173.9-75.1-175.1-81.4-104.18.8111.5R156 D157 A163 W164R156-R160 WeakPolarHBondContact O-CG 3.4Å; R156-R160 PolarHBondContact O-N 3.16Å; D157-R160 PolarHBondContact O-N 3.16Å; D157-R160 IonicContact OD1-CZ 3.7Å; D157-R160 IonicContact OD1-NE 2.85Å; D157-R160 PolarHBondContact OD1-NE 3.09Å; D157-R160 IonicContact OD1-NH2 3.77Å; D157-R160 PolarHBondContact OD1-NH2 3.26Å; D157-R160 IonicContact OD2-NH2 3.71Å; D157-R160 PolarHBondContact OD2-NH2 2.97Å; R160-A163 PolarHBondContact O-N 2.83Å; R160-W164 WeakPolarHBondContact O-CB 3.43Å; R160-W164 PolarHBondContact O-N 2.96Å
161A77.4Confident72.2Confident54 Ų54110.2 Ų110.245%0.44658%0.575SS.*Hα-helixtrans-64.3-40.4179.100000112.5D157 K158 W164 Q165D157-A161 WeakPolarHBondContact O-CB 3.49Å; D157-A161 PolarHBondContact O-N 2.97Å; K158-A161 PolarHBondContact O-N 3.28Å; A161-W164 PolarHBondContact O-N 2.99Å; A161-Q165 PolarHBondContact O-N 3.16Å
162Q78.9Confident70.2Confident137 Ų137108.3 Ų108.364%0.6458%0.58SS**Hα-helixtrans-68.6-37.6177.6-169.3171.71200112K158 I159 Q166K158-Q162 VanDerWaalsContact O-CB 3.22Å; K158-Q162 WeakPolarHBondContact O-CB 3.34Å; K158-Q162 PolarHBondContact O-N 2.84Å; I159-Q162 PolarHBondContact O-N 3.24Å; Q162-Q166 WeakPolarHBondContact O-CG 3.32Å; Q162-Q166 PolarHBondContact O-N 2.89Å; Q162-Q166 VanDerWaalsContact O-N 3.07Å
163A71.4Confident67.7Low62 Ų62108.4 Ų108.451%0.51260%0.597SS.*Hα-helixtrans-65.8-39.8171.700000112I159 R160 Q166 G167I159-A163 WeakPolarHBondContact O-CB 3.12Å; I159-A163 PolarHBondContact O-N 2.98Å; R160-A163 PolarHBondContact O-N 2.83Å; A163-Q166 PolarHBondContact O-N 3.25Å; A163-G167 PolarHBondContact O-N 3.35Å
164W65Low65.1Low200 Ų200113.3 Ų113.376%0.75863%0.631SS**Hα-helixtrans-65.1-42.5176.6-166.874.1000112.2R160 A161 Q166 G167 S168R160-W164 WeakPolarHBondContact O-CB 3.43Å; R160-W164 PolarHBondContact O-N 2.96Å; A161-W164 PolarHBondContact O-N 2.99Å; W164-Q166 VanDerWaalsContact C-N 3.34Å; W164-Q166 PolarHBondContact O-N 3.46Å; W164-G167 PolarHBondContact O-N 3.29Å; W164-S168 PolarHBondContact O-N 3.07Å
165Q56Low62.4Low142 Ų142112.6 Ų112.666%0.66464%0.64SS**Hα-helixtrans-65.8-32.2173.9-74.9-169.6-19.300113.2A161A161-Q165 PolarHBondContact O-N 3.16Å
166Q55.7Low60Low156 Ų156112.8 Ų112.873%0.72966%0.655SS**Hα-helixtrans-69.7-39.5170.7-70.9-115.2-76.200112.3Q162 A163 W164 S168 C169Q162-Q166 WeakPolarHBondContact O-CG 3.32Å; Q162-Q166 PolarHBondContact O-N 2.89Å; Q162-Q166 VanDerWaalsContact O-N 3.07Å; A163-Q166 PolarHBondContact O-N 3.25Å; W164-Q166 VanDerWaalsContact C-N 3.34Å; W164-Q166 PolarHBondContact O-N 3.46Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.69Å; Q166-C169 PolarHBondContact O-N 2.96Å
167G52.1Low57.2Low47 Ų47113.5 Ų113.549%0.48567%0.674SS.*Hα-helixtrans-62.3-34.5176.400000113.4A163 W164 C169 A170A163-G167 PolarHBondContact O-N 3.35Å; W164-G167 PolarHBondContact O-N 3.29Å; G167-C169 PolarHBondContact O-N 2.99Å; G167-C169 VanDerWaalsContact O-N 3.15Å; G167-A170 WeakPolarHBondContact O-CB 3.45Å; G167-A170 PolarHBondContact O-N 2.81Å; G167-A170 VanDerWaalsContact O-N 3.17Å
168S47.2Very low54Low93 Ų93115.5 Ų115.565%0.6569%0.694SS**THydrogen-bonded Turntrans-65-14.7179-154.40000114.4W164 Q166W164-S168 PolarHBondContact O-N 3.07Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.69Å
169C41.7Very low51.2Low114 Ų114114.1 Ų114.177%0.7770%0.704SS**THydrogen-bonded Turntrans-99.44.9177.3-630000114.1Q166 G167Q166-C169 PolarHBondContact O-N 2.96Å; G167-C169 PolarHBondContact O-N 2.99Å; G167-C169 VanDerWaalsContact O-N 3.15Å
170A43Very low48.1Very low83 Ų83114.3 Ų114.369%0.68672%0.72SS**SBendtrans-92.84-17400000115.1G167G167-A170 WeakPolarHBondContact O-CB 3.45Å; G167-A170 PolarHBondContact O-N 2.81Å; G167-A170 VanDerWaalsContact O-N 3.17Å
171S45.5Very low45.1Very low109 Ų109112.7 Ų112.776%0.76273%0.728SS**  trans-124.247.8-171.7-62.50000114.5
172L35.6Very low42.7Very low173 Ų173120.8 Ų120.891%0.90675%0.746SS**SBendtrans-138101160-80.6-176.8000112.2
173G33.3Very low40.4Very low72 Ų72121.3 Ų121.374%0.74275%0.753SS**  trans46.4106.3143.200000120.3S175G173-S175 PolarHBondContact O-N 3.07Å
174T35.4Very low38.3Very low153 Ų153125.9 Ų125.994%0.93976%0.764SS**  trans-70.7105.3145.347.10000110.1
175S29.4Very low36.6Very low113 Ų113125.2 Ų125.279%0.7977%0.766SS**  trans-152147.7157.461.40000110.7G173G173-S175 PolarHBondContact O-N 3.07Å
176A39.1Very low35.2Very low100 Ų100122.9 Ų122.983%0.82677%0.771SS**  trans-122.8128174.800000108.9
177P31.8Very low33.9Very low124 Ų124120.6 Ų120.681%0.80577%0.772SS**PPolyproline II helixtrans-102146.9167.434.9-28.7000111.7
178S23.8Very low32.7Very low122 Ų122123.7 Ų123.785%0.85378%0.782SS**PPolyproline II helixtrans-88170.9163.9-163.40000110.6
179S31Very low32Very low120 Ų120126.5 Ų126.584%0.83979%0.789SS**PPolyproline II helixtrans-68.8136.3-166.9-48.10000115.6
180A26.4Very low31.3Very low101 Ų101128.3 Ų128.384%0.83579%0.788SS**  trans-158.2143.8146.200000114.3
181S27Very low30.6Very low92 Ų92131 Ų13164%0.64379%0.79SS**  trans-52.4169.6-176.763.80000121.3
182R27.6Very low29.7Very low223 Ų223134.4 Ų134.484%0.84279%0.786SS**  trans81.1111.8160.9-56.3166.9-163.3-990.6114.7
183L31.5Very low29.4Very low149 Ų149135.3 Ų135.378%0.7878%0.778SS**  72.998.656-75.7171.5000115.5
184H26.2Very low29.5Very low158 Ų158140.3 Ų140.373%0.73178%0.779SS**  150.9154.9129.7-81.4-5.1000111.1
185K29Very low29.4Very low185 Ų185136.2 Ų136.280%0.80477%0.767SS**  cis-174.4175.2-33.7-135.3-178.8-177.4-178.30106.1
186A28Very low29.4Very low93 Ų93137.5 Ų137.577%0.76976%0.76SS**  trans69.1150.5172.100000116.1
187S27Very low28.9Very low108 Ų108140 Ų14076%0.75576%0.755SS**  cis-156.7179.1-22.1-88.30000106.1
188T27.3Very low28.7Very low113 Ų113138.5 Ų138.569%0.69375%0.753SS**  cis-178.1132.347.6-56.80000109.2
189L31.7Very low29Very low152 Ų152140.7 Ų140.780%0.79675%0.747SS**  trans44.1152.8149.2-55.2175.6000121.1
190M28.8Very low28.8Very low151 Ų151142 Ų14274%0.74475%0.745SS**  cis-166.3157.4-0.3-112.3-108.7-144.800109
191L27.9Very low29.3Very low140 Ų140142.9 Ų142.973%0.73374%0.742SS**  154.3123106.8-16560.2000116.3
192R26.1Very low30.4Very low180 Ų180144 Ų14468%0.67975%0.747SS**  trans73.4121.9151.9-87.4-176.4167.5-144.90.8124.4
193R30Very low31Very low193 Ų193139.8 Ų139.873%0.72875%0.749SS**  65.5113.7129.9-73.1179.5179.1-154-2.4118.4
194K35.4Very low31Very low177 Ų177136.9 Ų136.977%0.7775%0.746SS**  82.3129.572.9-94.8-148.1175.9-1500112.9
195G32.6Very low31.7Very low66 Ų66134.6 Ų134.668%0.6875%0.745SS**  cis146.8177.6-13.200000115.5
196Q29.3Very low31.5Very low140 Ų140135 Ų13565%0.65475%0.75SS**  trans73.1137.7166.3-56.4-174.8-101.100117.2
197E28.4Very low31.5Very low152 Ų152136.9 Ų136.971%0.7176%0.756SS**  cis115.4114.95.9-178.6-151.8151.600113.5
198A28.3Very low31.6Very low94 Ų94138 Ų13878%0.77776%0.764SS**  trans177.7153.3156.300000109.8
199K29.4Very low31.6Very low167 Ų167135.2 Ų135.273%0.72676%0.758SS**  cis-169.3158.8-35.1-125.5177-176.1177.70109.3
200N28.2Very low31.5Very low147 Ų147138.4 Ų138.479%0.78677%0.766SS**  trans78.3162156.7-61-4.2000120.5
201P36.6Very low31.5Very low121 Ų121136.4 Ų136.479%0.78677%0.767SS**  trans-122.9-170.2-151.947.3-33.2000115.6
202P49.1Very low31.7Very low116 Ų116138 Ų13875%0.75377%0.774SS**  trans-101.3-176.4-16242-37.3000116.1
203P40.3Very low31.9Very low133 Ų133136.8 Ų136.886%0.86478%0.78SS**  -143.1-165.511640.1-25.2000115.8
204A32.3Very low31.7Very low88 Ų88133 Ų13373%0.72778%0.783SS**  trans-88-179.8-17100000115.5
205P39.9Very low31.3Very low110 Ų110129.2 Ų129.271%0.71479%0.785SS**  -145.1143.297.641.5-26.2000114.4
206E26.3Very low31.1Very low193 Ų193130.4 Ų130.490%0.90279%0.789SS**  102.1164.879.3-71.7-173.4148.600114.7
207C26.3Very low31.1Very low134 Ų134132.8 Ų132.891%0.90580%0.8SS**  trans-119.1141.6-170.3-63.60000113.4
208S29Very low31Very low130 Ų130137.6 Ų137.691%0.90981%0.812SS**  trans-167.2147.3158.3-164.20000110
209G27.8Very low31.1Very low56 Ų56143 Ų14358%0.57781%0.812SS**  cis178.9133.3-7.600000113.1
210F29.4Very low31.1Very low218 Ų218142.1 Ų142.196%0.95682%0.82SS**  trans53.7142.7157.8-70.5-83.8000124.1
211S29Very low31.2Very low109 Ų109142.1 Ų142.176%0.76282%0.815SS**  trans-95.7161171.9-41.20000112.2
212I31.3Very low30.7Very low174 Ų174140.5 Ų140.589%0.89281%0.812SS**  trans-129.1159.6157.7-63.9-175.3000109.4
213L30.6Very low30Very low154 Ų154144.4 Ų144.481%0.80682%0.817SS**  trans-108.6166.2-160.2-63.6159.6000114.6
214S26.9Very low29.4Very low113 Ų113142 Ų14279%0.7981%0.809SS**  trans84.1139.5133.2-81.90000124.1
215A26.8Very low29.5Very low98 Ų98142.8 Ų142.881%0.8181%0.809SS**  trans97.4155.913200000122.5
216A28.1Very low29Very low92 Ų92146.8 Ų146.876%0.7682%0.818SS**  trans71.876.1157.400000119.9
217E28.8Very low29.1Very low189 Ų189140.8 Ų140.888%0.88381%0.808SS**  6.5128.4113.5179.2-177.3-135.100117.9
218R27.2Very low29.2Very low253 Ų253144 Ų14496%0.95581%0.81SS**  trans-156.5152.2143.7-120.1175.3-175.1-163.1-0.2114.2
219R29.5Very low29.1Very low208 Ų208141.1 Ų141.179%0.78580%0.8SS**  trans-73.5165.9179.6-55.3174171.3-148.63.5113.2E221R219-E221 IonicContact NH1-OE2 2.81Å
220V30Very low29.1Very low149 Ų149150.3 Ų150.390%0.90382%0.818SS**  -167.2163.8114.4140.20000110.5
221E30.1Very low29.1Very low146 Ų146147.8 Ų147.868%0.68281%0.809SS**  trans-108.8160.1-157.7-74.3166.161.400116.8R219R219-E221 IonicContact NH1-OE2 2.81Å
222A25.3Very low29.2Very low87 Ų87149.1 Ų149.172%0.71981%0.807SS**  trans53.5124.6140.700000122.7
223K34.2Very low29Very low198 Ų198145.6 Ų145.686%0.86180%0.797SS**  -176.9139.4109.9-99.3172.2-176.1-1760109.1
224A29Very low28.8Very low83 Ų83148.9 Ų148.969%0.68680%0.799SS**  cis68.6122.432.800000113.3
225S33.4Very low28.9Very low104 Ų104149.7 Ų149.773%0.72780%0.799SS**  cis-163-174-0.5-78.50000108.8
226H30.6Very low28.8Very low194 Ų194150.8 Ų150.890%0.89880%0.8SS**  trans119.1131.5164.2-68.881.2000113.7
227G27.2Very low29Very low68 Ų68153.7 Ų153.770%0.70180%0.798SS**  cis133.773.8-17.200000116.2
228Q29.1Very low28.8Very low201 Ų201151.8 Ų151.894%0.93979%0.789SS**  trans-163.8143.8158.9-114.2167.3-8.500109.7
229G27.3Very low28.8Very low69 Ų69147.7 Ų147.771%0.71178%0.781SS**  cis130.373.2-9.700000114.7
230R27.3Very low28.7Very low250 Ų250143.7 Ų143.794%0.94378%0.779SS**  trans-158.5152.4157.6-115.2179.6-167.4-77.6-2.6111.5
231E29.8Very low29Very low164 Ų164141.6 Ų141.677%0.76677%0.769SS**  trans-153166-165.4-158-165.8-158.600111.4
232L31.6Very low28.9Very low138 Ų138140.6 Ų140.672%0.72377%0.772SS**  trans84.4143.3158.7-55.3178.9000121.8
233S26.3Very low29Very low99 Ų99143.9 Ų143.969%0.69278%0.777SS**  trans79.2138.2160-62.30000119.7
234R26.7Very low28.8Very low224 Ų224144.7 Ų144.785%0.84578%0.775SS**  cis-160.2131.9-10.5-118.4170.2-167.1-133.62.3112.6
235V27.8Very low28.7Very low130 Ų130147.6 Ų147.679%0.78877%0.774SS**  trans40.8119.7136.3-1790000120.9
236S26.3Very low28.7Very low120 Ų120152 Ų15284%0.83978%0.78SS**  -152.4161.2118.6-159.80000111.8
237Q31.7Very low28.9Very low153 Ų153149 Ų14972%0.71578%0.778SS**  trans-84.9157.9-163.2-64.4166.7-26.400112.8
238H25.4Very low29.4Very low149 Ų149155 Ų15569%0.6979%0.785SS**  cis-155.9153.648.9-78-73000114.9
239Q27Very low29.4Very low167 Ų167157 Ų15778%0.7878%0.784SS**  trans45.4143.9136.6-62.1-173.888.300122.1
240V25.8Very low29.4Very low125 Ų125160.1 Ų160.176%0.75879%0.788SS**  cis174155.1-19115.20000107.5
241P37.8Very low29.7Very low104 Ų104158 Ų15868%0.67579%0.786SS**  cis-135.6177.9-44.443.2-23.8000115.5
242V26.4Very low29.6Very low126 Ų126156 Ų15676%0.76479%0.79SS**  trans19.7117.7138.2177.10000118.8
243L28.8Very low29.4Very low156 Ų156154.5 Ų154.582%0.81779%0.791SS**  72.7115.960.5-175.389.7000117.1
244R28.5Very low29.5Very low214 Ų214155.5 Ų155.581%0.80880%0.798SS**  trans-166.7157.8147.9-99.6-166.6-177.6-97.4-1.2107.6
245E27.5Very low29.4Very low145 Ų145150.8 Ų150.868%0.67880%0.798SS**  cis-179.5169.9-27.8-117.2-165.3130.100105.4
246K33.3Very low29.5Very low197 Ų197153.7 Ų153.786%0.85780%0.8SS**  trans-105.1160.6178.7-57.9176.4-176.6176.30111.4
247P34.7Very low29.6Very low130 Ų130158.1 Ų158.184%0.84480%0.799SS**  trans-112.3160.5144.132.5-24.8000113.2
248K38.9Very low29.4Very low195 Ų195157.4 Ų157.485%0.84880%0.795SS**  trans-105.5151179.8-62.8169.5178.51690111.6
249R28.6Very low29.9Very low243 Ų243159.9 Ų159.992%0.91780%0.804SS**  trans-159.9120.3138.3-103.6166.2-179.1-115.90.1106.6
250V27.6Very low30.1Very low134 Ų134158 Ų15881%0.81280%0.804SS**  82.4136.553.7178.60000112
251K33.5Very low30.8Very low205 Ų205157.8 Ų157.889%0.89181%0.805SS**  trans-91.8147.4-160.2-57.8167.3178.11740112.8
252S26.6Very low30.4Very low122 Ų122163 Ų16385%0.85382%0.817SS**  trans-129.5179.7152.161.90000108.7
253S27.7Very low30.4Very low107 Ų107165 Ų16575%0.74882%0.822SS**  trans-159.9159.8-16054.20000115.8
254S28.9Very low30.9Very low119 Ų119163 Ų16383%0.83282%0.819SS**  trans71.9163.9171.985.20000114.9
255C24.5Very low30.7Very low125 Ų125158.6 Ų158.685%0.84582%0.821SS**  cis-143.7-169.18.469.30000114.3
256K30.1Very low31.1Very low191 Ų191156.9 Ų156.983%0.8382%0.822SS**  trans-72.6179.2-162.6-65.5177.8172.11780116.8
257R29.3Very low31Very low214 Ų214159.2 Ų159.281%0.80883%0.826SS**  trans78.3149.7162-72.4178.4176.3-108.411.1115.1
258E26.9Very low30.9Very low137 Ų137164.4 Ų164.464%0.6483%0.829SS**  cis-147.6170.1-10.1-149.5142.7135.400110.5
259K35.2Very low30.4Very low201 Ų201159.9 Ų159.987%0.87483%0.828SS**  trans-122.2110.8173.6-82.5-172.5176.9-178.60111.9
260T32.2Very low30.8Very low129 Ų129153.2 Ų153.279%0.79182%0.824SS**  trans-155.215716114.30000110.1
261P38.8Very low31.1Very low119 Ų119156.1 Ų156.177%0.77383%0.826SS**  trans-91.4166.4-157.936.1-37.4000114.6
262K30.8Very low31.3Very low213 Ų213152.9 Ų152.993%0.92682%0.819SS**  trans-108.9134.3165.8-78.5-172.5173.9-178.90111.8
263L26Very low31.7Very low168 Ų168156 Ų15688%0.8882%0.817SS**  trans-72.4160.6174.5-76.6164.4000111.9
264P40.2Very low32.4Very low116 Ų116158 Ų15875%0.75381%0.814SS**  trans-84.2144.8-174.633.7-35.8000113.4
265S23.2Very low33.2Very low121 Ų121159.8 Ų159.885%0.84681%0.807SS**  trans-173.3162.2161.7-92.50000112
266P36.6Very low34.1Very low108 Ų108160.4 Ų160.470%0.70180%0.802SS**  cis-124.9173.2-16.637.9-23.9000112.9
267R30.5Very low34.8Very low246 Ų246158.9 Ų158.993%0.92880%0.797SS**  trans-57.3146.1155.9-72178.9171-171.2-2.9109.4
268R32Very low35.5Very low240 Ų240154.9 Ų154.991%0.90679%0.792SS**  trans-111143.6147.6-70.2-163.3-176.8-155.53.2108.7
269A30Very low36.7Very low100 Ų100152.7 Ų152.783%0.82679%0.792SS**  trans-76.2167.4-176.100000111.9
270A36.6Very low37.3Very low102 Ų102150.9 Ų150.984%0.84379%0.787SS**  trans-58.3150.9173.900000111.9
271K33.6Very low38.4Very low196 Ų196149.6 Ų149.685%0.85277%0.774SS**  trans-131.1105.7158.8-166.2168.4-171174.40107.6K273K271-K273 PolarHBondContact O-N 2.97Å
272D37.7Very low39.6Very low137 Ų137148.6 Ų148.673%0.73377%0.766SS**  trans-65.6126.7-178.2-170.6-11.2000110.5H274D272-H274 PolarHBondContact OD1-N 3.28Å
273K36.1Very low41.6Very low187 Ų187140.7 Ų140.781%0.81374%0.744SS**  trans-142.747.3171-88.1-61.5-171.6176.30111.3K271K271-K273 PolarHBondContact O-N 2.97Å
274H40.8Very low43.8Very low148 Ų148136 Ų13669%0.68572%0.723SS**  trans29.3108.4142.4-171.1-113.7000118D272D272-H274 PolarHBondContact OD1-N 3.28Å
275K47Very low45.4Very low158 Ų158137.2 Ų137.269%0.68771%0.713SS**SBendtrans102.9144168.3-56.9-70.7175.5178.80117.4
276D42.8Very low48.1Very low138 Ų138134.2 Ų134.274%0.73870%0.696SS**  trans75.44.5163.9-61.5-1.1000122.8
277E44.4Very low50.1Low159 Ų159137.3 Ų137.374%0.74369%0.694SS**THydrogen-bonded Turntrans-73.3-23.1173.6-76.9-82.7137.800115.5S279E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.02Å
278D44.3Very low52.6Low129 Ų129132.9 Ų132.969%0.6968%0.677SS**Hα-helixtrans-69.1-25.5-173.3-74.5-52.6000114L281 V282D278-L281 PolarHBondContact O-N 3.29Å; D278-V282 WeakPolarHBondContact O-CG2 3.44Å; D278-V282 PolarHBondContact O-N 2.94Å
279S51.9Low55Low91 Ų91127 Ų12764%0.63666%0.658SS**Hα-helixtrans-68.4-39.4-172.5-67.10000113.4E277E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.02Å
280E48.6Very low57.7Low164 Ų164123.8 Ų123.877%0.76664%0.635SS**Hα-helixtrans-70.3-38.1179.1-60.4-154.6156.900111.6V282 G283 V284E280-V282 VanDerWaalsContact C-N 3.32Å; E280-V282 PolarHBondContact O-N 3.15Å; E280-G283 PolarHBondContact O-N 3.22Å; E280-V284 PolarHBondContact O-N 2.61Å
281L55.1Low59.7Low101 Ų101122.3 Ų122.353%0.52961%0.61SS.*Hα-helixtrans-64.7-35178.5-68176.9000112.3D278 G283 V284 Y285D278-L281 PolarHBondContact O-N 3.29Å; L281-G283 PolarHBondContact O-N 3.1Å; L281-V284 PolarHBondContact O-N 3.23Å; L281-Y285 WeakPolarHBondContact O-CB 3.29Å; L281-Y285 PolarHBondContact O-N 3.49Å
282V63.6Low61.6Low99 Ų99115.2 Ų115.260%0.659%0.588SS**Hα-helixtrans-59.1-45174.5168.50000111.4D278 E280 Y285 A286D278-V282 WeakPolarHBondContact O-CG2 3.44Å; D278-V282 PolarHBondContact O-N 2.94Å; E280-V282 VanDerWaalsContact C-N 3.32Å; E280-V282 PolarHBondContact O-N 3.15Å; V282-Y285 PolarHBondContact O-N 3.1Å; V282-A286 VanDerWaalsContact O-CB 3.23Å; V282-A286 WeakPolarHBondContact O-CB 3.44Å; V282-A286 PolarHBondContact O-N 3.48Å
283G72.8Confident63.6Low46 Ų46113.9 Ų113.947%0.47458%0.581SS.*Hα-helixtrans-61.1-48178.100000112.6E280 L281 A286 W287E280-G283 PolarHBondContact O-N 3.22Å; L281-G283 PolarHBondContact O-N 3.1Å; G283-A286 PolarHBondContact O-N 2.97Å; G283-W287 WeakPolarHBondContact O-CB 3.27Å; G283-W287 PolarHBondContact O-N 3.21Å
284V72.6Confident65.7Low71 Ų71108.3 Ų108.343%0.4356%0.562SS.*Hα-helixtrans-72.8-29.3-179.5-169.30000112E280 L281 R288E280-V284 PolarHBondContact O-N 2.61Å; L281-V284 PolarHBondContact O-N 3.23Å; V284-R288 WeakPolarHBondContact O-CB 3.3Å; V284-R288 WeakPolarHBondContact O-CG 3.43Å; V284-R288 PolarHBondContact O-N 3.01Å; V284-R288 PolarHBondContact O-NE 3Å
285Y72.9Confident67.5Low140 Ų140108.3 Ų108.355%0.54956%0.556SS.*Hα-helixtrans-70.7-46.3172.4-172.6-90.7000111.4L281 V282 W287 R288 K289L281-Y285 WeakPolarHBondContact O-CB 3.29Å; L281-Y285 PolarHBondContact O-N 3.49Å; V282-Y285 PolarHBondContact O-N 3.1Å; Y285-W287 VanDerWaalsContact C-N 3.33Å; Y285-W287 PolarHBondContact O-N 2.91Å; Y285-R288 PolarHBondContact O-N 3.49Å; Y285-K289 HydrophobicContact CD1-CG 3.9Å; Y285-K289 HydrophobicContact CE1-CD 4.22Å; Y285-K289 HydrophobicContact CE1-CG 3.58Å; Y285-K289 WeakPolarHBondContact O-CB 3.38Å; Y285-K289 WeakPolarHBondContact O-CG 3.49Å; Y285-K289 PolarHBondContact O-N 2.9Å; Y285-K289 WeakPolarHBondContact OH-CE 3.49Å
286A79.9Confident68.7Low59 Ų59105.7 Ų105.749%0.48856%0.557SS.*Hα-helixtrans-60-42.3174.900000111.5V282 G283 K289 G290V282-A286 VanDerWaalsContact O-CB 3.23Å; V282-A286 WeakPolarHBondContact O-CB 3.44Å; V282-A286 PolarHBondContact O-N 3.48Å; G283-A286 PolarHBondContact O-N 2.97Å; A286-K289 PolarHBondContact O-N 3.38Å; A286-G290 PolarHBondContact O-N 3.22Å
287W77.9Confident70.3Confident173 Ų173103.6 Ų103.666%0.65555%0.546SS*.Hα-helixtrans-61-47.9173-178.2-109.4000112.2G283 Y285 K289 G290 Q291G283-W287 WeakPolarHBondContact O-CB 3.27Å; G283-W287 PolarHBondContact O-N 3.21Å; Y285-W287 VanDerWaalsContact C-N 3.33Å; Y285-W287 PolarHBondContact O-N 2.91Å; W287-K289 PolarHBondContact O-N 2.89Å; W287-G290 PolarHBondContact O-N 2.86Å; W287-Q291 HydrophobicContact CD2-CG 4.47Å; W287-Q291 VanDerWaalsContact CZ2-NE2 3.33Å; W287-Q291 WeakPolarHBondContact O-CB 3.3Å; W287-Q291 WeakPolarHBondContact O-CG 3.49Å; W287-Q291 PolarHBondContact O-N 3.1Å
288R83.4Confident71.9Confident152 Ų152100.5 Ų100.557%0.57453%0.534SS*.Hα-helixtrans-64.6-37.4177.8-76.2-176.6-76.6-154.8-0.2112.6V284 Y285 A292V284-R288 WeakPolarHBondContact O-CB 3.3Å; V284-R288 WeakPolarHBondContact O-CG 3.43Å; V284-R288 PolarHBondContact O-N 3.01Å; V284-R288 PolarHBondContact O-NE 3Å; Y285-R288 PolarHBondContact O-N 3.49Å; R288-A292 WeakPolarHBondContact O-CB 3.48Å; R288-A292 PolarHBondContact O-N 3.45Å
289K82.7Confident73.2Confident118 Ų11895.7 Ų95.751%0.51352%0.515SS..Hα-helixtrans-66.7-41.5171.7-78.6-76-173.2169.80112.2Y285 A286 W287 A292 L293Y285-K289 HydrophobicContact CD1-CG 3.9Å; Y285-K289 HydrophobicContact CE1-CD 4.22Å; Y285-K289 HydrophobicContact CE1-CG 3.58Å; Y285-K289 WeakPolarHBondContact O-CB 3.38Å; Y285-K289 WeakPolarHBondContact O-CG 3.49Å; Y285-K289 PolarHBondContact O-N 2.9Å; Y285-K289 WeakPolarHBondContact OH-CE 3.49Å; A286-K289 PolarHBondContact O-N 3.38Å; W287-K289 PolarHBondContact O-N 2.89Å; K289-A292 WeakPolarHBondContact O-CB 3.32Å; K289-A292 PolarHBondContact O-N 3.36Å; K289-L293 WeakPolarHBondContact O-CB 3.46Å; K289-L293 PolarHBondContact O-N 3.24Å
290G87.3Confident74Confident32 Ų3297 Ų9733%0.3352%0.521SS..Hα-helixtrans-61-46.3174.300000111.8A286 W287 A292 L293 V294A286-G290 PolarHBondContact O-N 3.22Å; W287-G290 PolarHBondContact O-N 2.86Å; G290-A292 VanDerWaalsContact C-N 3.33Å; G290-A292 PolarHBondContact O-N 2.87Å; G290-L293 PolarHBondContact O-N 3.08Å; G290-V294 WeakPolarHBondContact O-CB 3.2Å; G290-V294 VanDerWaalsContact O-CG2 3.28Å; G290-V294 WeakPolarHBondContact O-CG2 3.39Å; G290-V294 PolarHBondContact O-N 3.5Å
291Q78.4Confident74.3Confident70 Ų7093.2 Ų93.233%0.32751%0.511SS..Hα-helixtrans-62.1-37174-70-67.5-24.200112.5W287 R295W287-Q291 HydrophobicContact CD2-CG 4.47Å; W287-Q291 VanDerWaalsContact CZ2-NE2 3.33Å; W287-Q291 WeakPolarHBondContact O-CB 3.3Å; W287-Q291 WeakPolarHBondContact O-CG 3.49Å; W287-Q291 PolarHBondContact O-N 3.1Å; Q291-R295 WeakPolarHBondContact O-CD 3.43Å; Q291-R295 WeakPolarHBondContact O-CG 3.36Å; Q291-R295 PolarHBondContact O-N 2.98Å; Q291-R295 VanDerWaalsContact O-N 3.12Å
292A73.1Confident74.2Confident48 Ų4894 Ų9440%0.39752%0.522SS..Hα-helixtrans-66.1-45.9172.400000112R288 K289 G290 V294 R295 S296R288-A292 WeakPolarHBondContact O-CB 3.48Å; R288-A292 PolarHBondContact O-N 3.45Å; K289-A292 WeakPolarHBondContact O-CB 3.32Å; K289-A292 PolarHBondContact O-N 3.36Å; G290-A292 VanDerWaalsContact C-N 3.33Å; G290-A292 PolarHBondContact O-N 2.87Å; A292-V294 VanDerWaalsContact C-N 3.35Å; A292-V294 PolarHBondContact O-N 2.85Å; A292-R295 WeakPolarHBondContact O-CB 3.41Å; A292-R295 PolarHBondContact O-N 3.41Å; A292-R295 VanDerWaalsContact O-N 3.14Å; A292-S296 PolarHBondContact O-N 2.91Å; A292-S296 PolarHBondContact O-OG 2.91Å
293L80.3Confident73.4Confident109 Ų10995.5 Ų95.557%0.57153%0.531SS*.Hα-helixtrans-60.2-43.4177.2-16484.8000111.5K289 G290 R295 S296 L297K289-L293 WeakPolarHBondContact O-CB 3.46Å; K289-L293 PolarHBondContact O-N 3.24Å; G290-L293 PolarHBondContact O-N 3.08Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-R295 PolarHBondContact O-N 3.12Å; L293-S296 PolarHBondContact O-N 3.36Å; L293-L297 HydrophobicContact CD2-CD1 4.02Å; L293-L297 HydrophobicContact CG-CD1 3.88Å; L293-L297 HydrophobicContact CG-CG 4.42Å; L293-L297 WeakPolarHBondContact O-CB 3.41Å; L293-L297 VanDerWaalsContact O-CG 3.32Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.12Å
294V79.1Confident71.9Confident70 Ų70100.7 Ų100.742%0.42455%0.547SS..Hα-helixtrans-59.8-42.1174.7167.80000111.2G290 A292 L297 L298G290-V294 WeakPolarHBondContact O-CB 3.2Å; G290-V294 VanDerWaalsContact O-CG2 3.28Å; G290-V294 WeakPolarHBondContact O-CG2 3.39Å; G290-V294 PolarHBondContact O-N 3.5Å; A292-V294 VanDerWaalsContact C-N 3.35Å; A292-V294 PolarHBondContact O-N 2.85Å; V294-L297 PolarHBondContact O-N 3.37Å; V294-L298 HydrophobicContact CG1-CD1 3.9Å; V294-L298 HydrophobicContact CG1-CG 4.39Å; V294-L298 VanDerWaalsContact O-CB 3.31Å; V294-L298 WeakPolarHBondContact O-CB 3.37Å; V294-L298 PolarHBondContact O-N 3.01Å
295R78.8Confident69.9Low148 Ų148108 Ų10856%0.55857%0.567SS**Hα-helixtrans-66.8-36174.9-68.9164.9-170.9-167.61.4112.5Q291 A292 L293 G299Q291-R295 WeakPolarHBondContact O-CD 3.43Å; Q291-R295 WeakPolarHBondContact O-CG 3.36Å; Q291-R295 PolarHBondContact O-N 2.98Å; Q291-R295 VanDerWaalsContact O-N 3.12Å; A292-R295 WeakPolarHBondContact O-CB 3.41Å; A292-R295 PolarHBondContact O-N 3.41Å; A292-R295 VanDerWaalsContact O-N 3.14Å; L293-R295 VanDerWaalsContact C-N 3.33Å; L293-R295 PolarHBondContact O-N 3.12Å; R295-G299 CarbonylContact O-C 3.14Å; R295-G299 WeakPolarHBondContact O-CA 3.38Å; R295-G299 PolarHBondContact O-N 2.92Å
296S72.4Confident68Low102 Ų102111.7 Ų111.771%0.71358%0.58SS**Hα-helixtrans-70.4-37.9174.9-630000113A292 L293A292-S296 PolarHBondContact O-N 2.91Å; A292-S296 PolarHBondContact O-OG 2.91Å; L293-S296 PolarHBondContact O-N 3.36Å
297L76.9Confident65.7Low95 Ų95117.6 Ų117.650%0.49760%0.597SS.*Hα-helixtrans-83.6-38.7-176.6-69.5173000113.4L293 V294L293-L297 HydrophobicContact CD2-CD1 4.02Å; L293-L297 HydrophobicContact CG-CD1 3.88Å; L293-L297 HydrophobicContact CG-CG 4.42Å; L293-L297 WeakPolarHBondContact O-CB 3.41Å; L293-L297 VanDerWaalsContact O-CG 3.32Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 3.12Å; V294-L297 PolarHBondContact O-N 3.37Å
298L78.1Confident63.4Low93 Ų93117.5 Ų117.549%0.48760%0.604SS.*Hα-helixtrans-95.6-18.2-179.6-55.7-174.2000113V294 R668V294-L298 HydrophobicContact CG1-CD1 3.9Å; V294-L298 HydrophobicContact CG1-CG 4.39Å; V294-L298 VanDerWaalsContact O-CB 3.31Å; V294-L298 WeakPolarHBondContact O-CB 3.37Å; V294-L298 PolarHBondContact O-N 3.01Å; L298-R668 PolarHBondContact O-NH2 3.48Å
299G71.5Confident60.8Low29 Ų29115.3 Ų115.330%0.29961%0.612SS.*  trans90.4173.5-166.700000112.3R295R295-G299 CarbonylContact O-C 3.14Å; R295-G299 WeakPolarHBondContact O-CA 3.38Å; R295-G299 PolarHBondContact O-N 2.92Å
300P68.3Low58.6Low117 Ų117119.2 Ų119.276%0.7663%0.629SS**SBendtrans-59.6144.8174.526.2-34.3000110.8
301P55.9Low55.7Low86 Ų86124.7 Ų124.756%0.55865%0.65SS**PPolyproline II helixtrans-61.7148.6176.127.6-34.8000110.4V303P301-V303 PolarHBondContact O-N 3.4Å; P301-V303 VanDerWaalsContact O-N 3.14Å
302P52.6Low53.6Low116 Ų116127.1 Ų127.175%0.75367%0.672SS**PPolyproline II helixtrans-60.7121177.626-33.7000109.6L304P302-L304 PolarHBondContact O-N 3.29Å
303V47.4Very low51.3Low132 Ų132130.2 Ų130.280%0.869%0.691SS**  trans-68.696.9175.1-179.90000108P301 R305P301-V303 PolarHBondContact O-N 3.4Å; P301-V303 VanDerWaalsContact O-N 3.14Å; V303-R305 PolarHBondContact O-N 3.06Å
304L40.5Very low49Very low155 Ų155136.5 Ų136.581%0.81271%0.707SS**  trans-58.3105.9163.8-66.7178.3000107.1P302 R306P302-L304 PolarHBondContact O-N 3.29Å; L304-R306 PolarHBondContact O-N 3.45Å
305R31.5Very low46.5Very low225 Ų225140.5 Ų140.585%0.84973%0.726SS**  trans-60.4109.7173.1-80.8-167.7171.1-148.6-2107.6V303 H307V303-R305 PolarHBondContact O-N 3.06Å; R305-H307 PolarHBondContact O-N 3.12Å; R305-H307 VanDerWaalsContact O-N 3.12Å
306R30.9Very low44.5Very low217 Ų217139.1 Ų139.182%0.81974%0.737SS**  trans-54.6121162.6-68.2-171.7-175.6-139.71.3106.6L304 H308L304-R306 PolarHBondContact O-N 3.45Å; R306-H308 PolarHBondContact O-CD2 2.75Å; R306-H308 VanDerWaalsContact O-CD2 3.28Å; R306-H308 PolarHBondContact O-N 3.16Å
307H31.8Very low42.3Very low183 Ų183138.9 Ų138.985%0.84774%0.741SS**  trans-67.9103.3167-83.5-114.9000106.4R305 S309R305-H307 PolarHBondContact O-N 3.12Å; R305-H307 VanDerWaalsContact O-N 3.12Å; H307-S309 VanDerWaalsContact C-N 3.31Å; H307-S309 PolarHBondContact O-N 3.19Å
308H29.7Very low40.1Very low171 Ų171142.6 Ų142.679%0.79276%0.76SS**  trans-69.493.8171.9-71.7-96.3000108R306 K310R306-H308 PolarHBondContact O-CD2 2.75Å; R306-H308 VanDerWaalsContact O-CD2 3.28Å; R306-H308 PolarHBondContact O-N 3.16Å; H308-K310 PolarHBondContact O-N 2.91Å
309S29.5Very low37.8Very low106 Ų106144.9 Ų144.974%0.74178%0.778SS**  trans-55.9119.4160.546.40000108H307 D311H307-S309 VanDerWaalsContact C-N 3.31Å; H307-S309 PolarHBondContact O-N 3.19Å; S309-D311 PolarHBondContact O-N 3.26Å
310K35.8Very low35.9Very low200 Ų200149.3 Ų149.387%0.8780%0.799SS**  trans-76120.3170.1-76.3-177.4172.8-175.30108.3H308H308-K310 PolarHBondContact O-N 2.91Å
311D27.7Very low34Very low146 Ų146150.4 Ų150.478%0.78180%0.799SS**  trans-137.2151.8151.4-86.2-56.9000109.1S309 S313S309-D311 PolarHBondContact O-N 3.26Å; D311-S313 PolarHBondContact O-N 3.3Å
312P33.4Very low32.7Very low122 Ų122153.8 Ų153.879%0.79281%0.811SS**  trans-92.8109.8-161.4-222.8000111.7R314P312-R314 PolarHBondContact O-N 2.87Å
313S25.4Very low31.4Very low113 Ų113151.4 Ų151.479%0.7981%0.807SS**PPolyproline II helixtrans-68.3119.316653.40000110.1D311D311-S313 PolarHBondContact O-N 3.3Å
314R30.8Very low30.4Very low241 Ų241153 Ų15391%0.90981%0.812SS**PPolyproline II helixtrans-70.4134.2170.2-70.6179.4171.8-176.4-3.4110.5P312P312-R314 PolarHBondContact O-N 2.87Å
315D28.6Very low29.9Very low153 Ų153150.5 Ų150.582%0.81881%0.807SS**PPolyproline II helixtrans-70134.8166.2-64.2-57.2000111.5
316P36.1Very low29.9Very low120 Ų120148.8 Ų148.878%0.77981%0.809SS**PPolyproline II helixtrans-85.1125150.132.2-26.5000109.2
317A26.1Very low30.1Very low97 Ų97147.3 Ų147.380%0.80281%0.808SS**PPolyproline II helixtrans-66.9153.6-17100000114.7
318L31.5Very low30.1Very low173 Ų173144.4 Ų144.491%0.90680%0.803SS**PPolyproline II helixtrans-70.1143.8176.1-67.2166.5000112.4
319T28.6Very low30Very low140 Ų140143.7 Ų143.786%0.85980%0.803SS**  trans-96.4104.7166.9500000111.3
320V31.7Very low29.9Very low122 Ų122142.6 Ų142.674%0.73980%0.801SS**  trans-17.7141.2143.1176.30000113
321D29.8Very low29.6Very low141 Ų141137.3 Ų137.375%0.75479%0.794SS**  cis-156.7176.435-145.2-13.5000116.9
322L27.7Very low29.4Very low156 Ų156139.8 Ų139.882%0.81780%0.798SS**  trans86.2119.3144.6-136.871.3000119.9
323G25.2Very low28.9Very low66 Ų66139.8 Ų139.868%0.6880%0.8SS**  trans160.317.817000000120.7
324D25.6Very low29.2Very low166 Ų166139.6 Ų139.689%0.88880%0.798SS**  trans58.8152.8162.9-66.3-31.8000119.5
325S31.6Very low29.6Very low102 Ų102133.4 Ų133.471%0.71379%0.789SS**  cis-146.2166.72.258.50000113.1
326E31.3Very low29.4Very low189 Ų189132.3 Ų132.388%0.88379%0.788SS**  trans78.1148.7153.1-152.5152.1-152.900119.2
327K35Very low28.8Very low187 Ų187132.7 Ų132.781%0.81379%0.792SS**  trans-141.3145.9-145.9-87.6-178.2177.8174.30113.4
328V30.8Very low28.9Very low121 Ų121132.6 Ų132.673%0.73379%0.791SS**  trans71.8148.4142.9171.70000113.2A330V328-A330 HydrophobicContact CG1-CB 4.22Å
329I28.5Very low28.6Very low157 Ų157133.2 Ų133.281%0.80579%0.789SS**  cis-134.3131.737.8-17.3-175.2000108.5
330A27.6Very low28.5Very low83 Ų83132.6 Ų132.669%0.68678%0.78SS**  cis67.3140.647.300000113V328V328-A330 HydrophobicContact CG1-CB 4.22Å
331A28.1Very low28.4Very low88 Ų88132.3 Ų132.373%0.72778%0.781SS**  cis-164.9-168-7.600000110.4
332K25.4Very low28Very low199 Ų199132.1 Ų132.187%0.86578%0.78SS**  trans86.5140.5168.3-53.3175.6-177.7178.10116.7
333C22.9Very low28Very low122 Ų122129.4 Ų129.482%0.82478%0.78SS**  cis-162.5150.3-27.3-113.90000109.6
334S29.8Very low28Very low108 Ų108132.8 Ų132.876%0.75579%0.788SS**  trans-87.5150.9155.7-164.20000108.5
335P40.8Very low27.9Very low112 Ų112130.3 Ų130.373%0.72778%0.783SS**  -136.6-169.186.731.1-9.5000110.6
336V23.5Very low27.6Very low129 Ų129130.2 Ų130.278%0.78279%0.788SS**  cis-145.9151.922.91770000109.9
337C24.3Very low27.5Very low128 Ų128130.8 Ų130.887%0.86578%0.784SS**  trans-94.4136.8168.9-60.70000112
338A27.1Very low27Very low95 Ų95127.7 Ų127.779%0.78579%0.786SS**  trans-132.2100.6157.300000106.4
339Q25.1Very low27Very low186 Ų186128 Ų12887%0.86978%0.783SS**  85.7105.976.2-171170.82700111.3
340L27.7Very low27Very low127 Ų127129.2 Ų129.267%0.66579%0.786SS**  trans-81.8147.4173.4-175.873.1000109.9D342L340-D342 WeakPolarHBondContact CD2-OD1 3.49Å
341P28.2Very low27.1Very low116 Ų116133.3 Ų133.375%0.75379%0.79SS**  trans-100.3113.2151.832.6-24.3000110
342D22.9Very low27.1Very low137 Ų137135.5 Ų135.573%0.73380%0.795SS**  trans-69.9152.4168.4-72.6-69.6000111.4L340L340-D342 WeakPolarHBondContact CD2-OD1 3.49Å
343A26.6Very low27.2Very low100 Ų100131.9 Ų131.983%0.82680%0.795SS**  trans-138.1103.1170.600000110.5
344T24.7Very low27.5Very low137 Ų137128.6 Ų128.684%0.8478%0.781SS**  trans-88126-177.2-47.40000111.8
345S24.5Very low27.4Very low114 Ų114131.1 Ų131.180%0.79779%0.786SS**  trans172.6152.8157.833.70000110.1
346A26Very low27Very low99 Ų99132.1 Ų132.182%0.81879%0.79SS**  cis-152.2172.5-16.900000110
347Y27.9Very low27.5Very low201 Ų201132 Ų13279%0.78879%0.793SS**  trans-66.3141.9-176.7-150.9-107.7000113.4
348S25.5Very low27.7Very low123 Ų123130.9 Ų130.986%0.8679%0.786SS**  trans-167.499.6157.6-80.90000111.5
349D29.5Very low28.2Very low126 Ų126134.6 Ų134.667%0.67479%0.791SS**  trans-89120.9164.6-84.6-56000110.3
350Q29.5Very low28.4Very low184 Ų184129.5 Ų129.586%0.8678%0.781SS**  trans-152.690.4153.7-158.2116.570.700113.1
351Q28.6Very low28.4Very low168 Ų168128 Ų12879%0.78578%0.782SS**  trans34.3123.1146.1-62.6-166.56.800122.5
352V28.4Very low29Very low134 Ų134132.4 Ų132.481%0.81279%0.789SS**  61.9110.6126.5-1750000119.3
353S27Very low29.8Very low124 Ų124133.6 Ų133.687%0.86780%0.795SS**  -142.7133.7123.3-171.60000108.9
354G30.7Very low30.5Very low52 Ų52136.8 Ų136.854%0.53679%0.793SS.*  trans-92.8152.2-174.900000113.3
355N27.3Very low31.4Very low161 Ų161136 Ų13686%0.86179%0.791SS**  trans156.661.8138.1-76.8-20.5000113
356T31.7Very low32.8Very low133 Ų133134.5 Ų134.582%0.81679%0.785SS**  trans-139.886170.8-44.10000112S358T356-S358 PolarHBondContact O-N 3.01Å
357P33.8Very low35.1Very low128 Ų128133.6 Ų133.683%0.83177%0.769SS**  trans-70.8106.4163.629.2-31000109
358S28.3Very low37.3Very low103 Ų103130.8 Ų130.872%0.7277%0.767SS**  trans-65.6144.4176-171.20000111.3T356 A360T356-S358 PolarHBondContact O-N 3.01Å; S358-A360 PolarHBondContact O-N 2.74Å
359L37.6Very low39.7Very low173 Ų173132.7 Ų132.791%0.90676%0.762SS**  trans-66.598.6173.5-76.1165.6000110.2
360A30.6Very low42.2Very low79 Ų79130 Ų13065%0.65375%0.75SS**  trans-112.1135.9179.700000112S358S358-A360 PolarHBondContact O-N 2.74Å
361S27.8Very low44.8Very low97 Ų97123.2 Ų123.268%0.67873%0.725SS**  trans41.292.7162.956.80000118D363S361-D363 VanDerWaalsContact C-N 3.25Å; S361-D363 PolarHBondContact O-N 3.35Å
362F39.6Very low47.5Very low207 Ų207120.2 Ų120.291%0.90871%0.713SS**SBendtrans-70.684.3150.6-78-83000109.6
363D40.7Very low50.2Low162 Ų162116.4 Ų116.487%0.86670%0.695SS**  trans-165.662.1160.3-95.8-32.2000109.5S361S361-D363 VanDerWaalsContact C-N 3.25Å; S361-D363 PolarHBondContact O-N 3.35Å
364Q40.6Very low53.3Low168 Ų168115.4 Ų115.479%0.78568%0.679SS**SBendtrans-131.6145.7165.1-74.4-165-5.300109.9A366Q364-A366 PolarHBondContact O-N 3.31Å
365P44Very low56.2Low121 Ų121118 Ų11879%0.78668%0.68SS**  trans-63.9119171.227.7-33.1000108.9T367P365-T367 PolarHBondContact O-N 3.02Å
366A53.3Low59.2Low81 Ų81115.5 Ų115.567%0.66966%0.663SS**  trans-62.1110.4-17900000110Q364Q364-A366 PolarHBondContact O-N 3.31Å
367T74.9Confident62.1Low80 Ų80112.9 Ų112.949%0.49164%0.644SS.*  trans-62.4150.2173.957.90000109.9P365 Q369 T370 A371P365-T367 PolarHBondContact O-N 3.02Å; T367-Q369 PolarHBondContact O-N 2.94Å; T367-Q369 VanDerWaalsContact O-N 3.1Å; T367-T370 WeakPolarHBondContact O-CB 3.43Å; T367-T370 PolarHBondContact O-N 2.93Å; T367-T370 PolarHBondContact OG1-OG1 3.44Å; T367-T370 VanDerWaalsContact OG1-OG1 3.12Å; T367-A371 PolarHBondContact O-N 2.97Å; T367-A371 VanDerWaalsContact O-N 3.12Å
368I74.3Confident65Low143 Ų143110.8 Ų110.873%0.73363%0.625SS**Hα-helixtrans-56.4-32.5-177.6-61.9171.3000111A371 M372I368-A371 PolarHBondContact O-N 3.14Å; I368-M372 HydrophobicContact CG2-CG 4.28Å; I368-M372 WeakPolarHBondContact O-CB 3.39Å; I368-M372 WeakPolarHBondContact O-CG 3.41Å; I368-M372 PolarHBondContact O-N 3.28Å
369Q75.7Confident68.1Low162 Ų162115.2 Ų115.276%0.75763%0.626SS**Hα-helixtrans-63.7-41.1174.4-66.2177.3-8.900113T367 M372 A373T367-Q369 PolarHBondContact O-N 2.94Å; T367-Q369 VanDerWaalsContact O-N 3.1Å; Q369-M372 WeakPolarHBondContact O-CB 3.25Å; Q369-M372 PolarHBondContact O-N 2.91Å; Q369-A373 WeakPolarHBondContact O-CB 3.48Å; Q369-A373 PolarHBondContact O-N 2.86Å
370T82.8Confident70.7Confident70 Ų70113.5 Ų113.543%0.42961%0.614SS.*Hα-helixtrans-66.9-40.4174.8-54.90000111.3T367 A373 I374T367-T370 WeakPolarHBondContact O-CB 3.43Å; T367-T370 PolarHBondContact O-N 2.93Å; T367-T370 PolarHBondContact OG1-OG1 3.44Å; T367-T370 VanDerWaalsContact OG1-OG1 3.12Å; T370-A373 PolarHBondContact O-N 3.31Å; T370-I374 HydrophobicContact CG2-CD1 4.15Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.43Å; T370-I374 PolarHBondContact O-N 3.46Å
371A82.8Confident73.6Confident41 Ų41115.1 Ų115.134%0.33961%0.608SS.*Hα-helixtrans-63.6-41.517400000112T367 I368 I374 L375T367-A371 PolarHBondContact O-N 2.97Å; T367-A371 VanDerWaalsContact O-N 3.12Å; I368-A371 PolarHBondContact O-N 3.14Å; A371-I374 PolarHBondContact O-N 2.92Å; A371-L375 WeakPolarHBondContact O-CB 3.21Å; A371-L375 VanDerWaalsContact O-CG 3.3Å; A371-L375 WeakPolarHBondContact O-CG 3.41Å; A371-L375 PolarHBondContact O-N 2.8Å
372M86.3Confident76.6Confident106 Ų106115.1 Ų115.152%0.52260%0.599SS.*Hα-helixtrans-60.7-44.9173.6-73.2-96.9-77.900111.9I368 Q369 I374 L375 Q376I368-M372 HydrophobicContact CG2-CG 4.28Å; I368-M372 WeakPolarHBondContact O-CB 3.39Å; I368-M372 WeakPolarHBondContact O-CG 3.41Å; I368-M372 PolarHBondContact O-N 3.28Å; Q369-M372 WeakPolarHBondContact O-CB 3.25Å; Q369-M372 PolarHBondContact O-N 2.91Å; M372-I374 PolarHBondContact O-N 3.21Å; M372-L375 PolarHBondContact O-N 3.1Å; M372-Q376 WeakPolarHBondContact O-CB 3.48Å; M372-Q376 VanDerWaalsContact O-CG 3.29Å; M372-Q376 WeakPolarHBondContact O-CG 3.44Å; M372-Q376 PolarHBondContact O-N 3.2Å
373A83.8Confident78.8Confident53 Ų53110 Ų11044%0.43858%0.578SS.*Hα-helixtrans-61.5-43.8177.300000112.1Q369 T370 L375 Q376 D377Q369-A373 WeakPolarHBondContact O-CB 3.48Å; Q369-A373 PolarHBondContact O-N 2.86Å; T370-A373 PolarHBondContact O-N 3.31Å; A373-L375 VanDerWaalsContact C-N 3.34Å; A373-L375 PolarHBondContact O-N 3.04Å; A373-Q376 PolarHBondContact O-N 3.31Å; A373-D377 PolarHBondContact O-N 3.07Å
374I92.1Very high80.8Confident104 Ų104104.9 Ų104.953%0.53356%0.558SS.*Hα-helixtrans-63.1-39.3175.5-67.3164.3000111.3T370 A371 M372 Q376 L378T370-I374 HydrophobicContact CG2-CD1 4.15Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.43Å; T370-I374 PolarHBondContact O-N 3.46Å; A371-I374 PolarHBondContact O-N 2.92Å; M372-I374 PolarHBondContact O-N 3.21Å; I374-Q376 VanDerWaalsContact C-N 3.34Å; I374-L378 VanDerWaalsContact O-CB 3.25Å; I374-L378 WeakPolarHBondContact O-CB 3.49Å; I374-L378 PolarHBondContact O-N 2.84Å
375L92.4Very high82.9Confident105 Ų10598.7 Ų98.755%0.5554%0.54SS..Hα-helixtrans-71.2-27.9176.3-71.2170.1000113.1A371 M372 A373 R379A371-L375 WeakPolarHBondContact O-CB 3.21Å; A371-L375 VanDerWaalsContact O-CG 3.3Å; A371-L375 WeakPolarHBondContact O-CG 3.41Å; A371-L375 PolarHBondContact O-N 2.8Å; M372-L375 PolarHBondContact O-N 3.1Å; A373-L375 VanDerWaalsContact C-N 3.34Å; A373-L375 PolarHBondContact O-N 3.04Å; L375-R379 WeakPolarHBondContact O-CB 3.49Å; L375-R379 WeakPolarHBondContact O-CG 3.38Å; L375-R379 PolarHBondContact O-N 3.19Å; L375-R379 VanDerWaalsContact O-N 3.1Å
376Q89.9Confident84.7Confident110 Ų11097.7 Ų97.751%0.51453%0.527SS..Hα-helixtrans-74.3-46.7173.4-74.1172.30.900111.5M372 A373 I374 R379 Q380M372-Q376 WeakPolarHBondContact O-CB 3.48Å; M372-Q376 VanDerWaalsContact O-CG 3.29Å; M372-Q376 WeakPolarHBondContact O-CG 3.44Å; M372-Q376 PolarHBondContact O-N 3.2Å; A373-Q376 PolarHBondContact O-N 3.31Å; I374-Q376 VanDerWaalsContact C-N 3.34Å; Q376-R379 WeakPolarHBondContact O-CB 3.36Å; Q376-R379 PolarHBondContact O-N 3.26Å; Q376-Q380 WeakPolarHBondContact O-CG 3.47Å; Q376-Q380 PolarHBondContact O-N 3.18Å
377D93.8Very high85.9Confident78 Ų7898.9 Ų98.942%0.41752%0.519SS..Hα-helixtrans-57.5-48.8172172.541.4000111.1A373 R379 Q380 Q381A373-D377 PolarHBondContact O-N 3.07Å; D377-R379 VanDerWaalsContact C-N 3.29Å; D377-R379 PolarHBondContact O-N 3.2Å; D377-Q380 WeakPolarHBondContact O-CB 3.33Å; D377-Q380 PolarHBondContact O-N 3.31Å; D377-Q381 WeakPolarHBondContact O-CG 3.34Å; D377-Q381 PolarHBondContact O-N 3.45Å; D377-Q381 PolarHBondContact OD1-NE2 2.92Å; D377-Q381 PolarHBondContact OD2-NE2 2.92Å
378L94.8Very high85.8Confident84 Ų84101.6 Ų101.644%0.4453%0.53SS..Hα-helixtrans-59.4-37.9176.2-176.661.8000112.6I374 I382I374-L378 VanDerWaalsContact O-CB 3.25Å; I374-L378 WeakPolarHBondContact O-CB 3.49Å; I374-L378 PolarHBondContact O-N 2.84Å; L378-I382 HydrophobicContact CD1-CD1 4.19Å; L378-I382 HydrophobicContact CD1-CG1 4.45Å; L378-I382 HydrophobicContact CG-CD1 4Å; L378-I382 WeakPolarHBondContact O-CB 3.37Å; L378-I382 WeakPolarHBondContact O-CD1 3.22Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 2.94Å
379R92.4Very high85.5Confident196 Ų19697.5 Ų97.574%0.7452%0.517SS*.Hα-helixtrans-63.9-42.4172.4-87.8176.7166.4-98.12.8112.2L375 Q376 D377 I382 Q383L375-R379 WeakPolarHBondContact O-CB 3.49Å; L375-R379 WeakPolarHBondContact O-CG 3.38Å; L375-R379 PolarHBondContact O-N 3.19Å; L375-R379 VanDerWaalsContact O-N 3.1Å; Q376-R379 WeakPolarHBondContact O-CB 3.36Å; Q376-R379 PolarHBondContact O-N 3.26Å; D377-R379 VanDerWaalsContact C-N 3.29Å; D377-R379 PolarHBondContact O-N 3.2Å; R379-I382 PolarHBondContact O-N 3.42Å; R379-Q383 WeakPolarHBondContact O-CB 3.43Å; R379-Q383 PolarHBondContact O-N 2.8Å
380Q92.1Very high84.6Confident136 Ų13696.6 Ų96.664%0.63651%0.513SS*.Hα-helixtrans-65.8-41.7177.5-69.517314.600111.5Q376 D377 Q383 A384Q376-Q380 WeakPolarHBondContact O-CG 3.47Å; Q376-Q380 PolarHBondContact O-N 3.18Å; D377-Q380 WeakPolarHBondContact O-CB 3.33Å; D377-Q380 PolarHBondContact O-N 3.31Å; Q380-Q383 PolarHBondContact O-N 2.94Å; Q380-A384 WeakPolarHBondContact O-CB 3.46Å; Q380-A384 PolarHBondContact O-N 3.28Å
381Q91.9Very high83.2Confident114 Ų11497 Ų9753%0.53352%0.523SS..Hα-helixtrans-64.5-40.3175.1-68.5178.726.600112.5D377 G385D377-Q381 WeakPolarHBondContact O-CG 3.34Å; D377-Q381 PolarHBondContact O-N 3.45Å; D377-Q381 PolarHBondContact OD1-NE2 2.92Å; D377-Q381 PolarHBondContact OD2-NE2 2.92Å; Q381-G385 PolarHBondContact O-N 2.92Å
382I89.8Confident81.7Confident96 Ų96105.3 Ų105.349%0.49255%0.546SS..Hα-helixtrans-65-43.2174.2-71166.2000110.7L378 R379 G385 L386L378-I382 HydrophobicContact CD1-CD1 4.19Å; L378-I382 HydrophobicContact CD1-CG1 4.45Å; L378-I382 HydrophobicContact CG-CD1 4Å; L378-I382 WeakPolarHBondContact O-CB 3.37Å; L378-I382 WeakPolarHBondContact O-CD1 3.22Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 2.94Å; R379-I382 PolarHBondContact O-N 3.42Å; I382-G385 PolarHBondContact O-N 3.35Å; I382-L386 HydrophobicContact CG2-CD1 4.04Å; I382-L386 WeakPolarHBondContact O-CG 3.41Å; I382-L386 PolarHBondContact O-N 3.47Å
383Q87.1Confident80Confident99 Ų99109.4 Ų109.446%0.46356%0.561SS.*Hα-helixtrans-63.5-49.2178.2-176.360.129.300111.7R379 Q380 G385 L386 E387R379-Q383 WeakPolarHBondContact O-CB 3.43Å; R379-Q383 PolarHBondContact O-N 2.8Å; Q380-Q383 PolarHBondContact O-N 2.94Å; Q383-G385 VanDerWaalsContact C-N 3.28Å; Q383-G385 PolarHBondContact O-N 3.32Å; Q383-L386 WeakPolarHBondContact O-CB 3.42Å; Q383-L386 PolarHBondContact O-N 2.87Å; Q383-L386 VanDerWaalsContact O-N 3.12Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.5Å; Q383-E387 PolarHBondContact NE2-OE1 2.91Å; Q383-E387 WeakPolarHBondContact O-CG 3.31Å; Q383-E387 PolarHBondContact O-N 2.9Å
384A82.5Confident78.1Confident55 Ų55110.2 Ų110.246%0.45557%0.574SS.*Hα-helixtrans-60.9-36.7175.100000112.2Q380 E387 L388Q380-A384 WeakPolarHBondContact O-CB 3.46Å; Q380-A384 PolarHBondContact O-N 3.28Å; A384-E387 PolarHBondContact O-N 3.34Å; A384-L388 WeakPolarHBondContact O-CB 3.35Å; A384-L388 PolarHBondContact O-N 2.78Å
385G84.8Confident75.7Confident39 Ų39108.1 Ų108.140%0.40258%0.578SS.*Hα-helixtrans-66.3-36.9173.700000113.7Q381 I382 Q383 A389Q381-G385 PolarHBondContact O-N 2.92Å; I382-G385 PolarHBondContact O-N 3.35Å; Q383-G385 VanDerWaalsContact C-N 3.28Å; Q383-G385 PolarHBondContact O-N 3.32Å; G385-A389 WeakPolarHBondContact O-CB 3.34Å; G385-A389 PolarHBondContact O-N 3.18Å
386L80.9Confident73Confident99 Ų99111.8 Ų111.852%0.51859%0.592SS.*Hα-helixtrans-68.4-43173.4-74.6167.9000111.5I382 Q383 A389 Q390I382-L386 HydrophobicContact CG2-CD1 4.04Å; I382-L386 WeakPolarHBondContact O-CG 3.41Å; I382-L386 PolarHBondContact O-N 3.47Å; Q383-L386 WeakPolarHBondContact O-CB 3.42Å; Q383-L386 PolarHBondContact O-N 2.87Å; Q383-L386 VanDerWaalsContact O-N 3.12Å; L386-A389 CarbonylContact O-C 2.96Å; L386-A389 WeakPolarHBondContact O-CB 3.48Å; L386-A389 PolarHBondContact O-N 2.91Å; L386-Q390 WeakPolarHBondContact O-CB 3.41Å; L386-Q390 PolarHBondContact O-N 3.12Å
387E79.8Confident70.9Confident106 Ų106115.1 Ų115.150%0.49561%0.608SS.*Hα-helixtrans-63.9-41176-73.4167.8-163.700111.7Q383 A384 A389 Q390 A391Q383-E387 WeakPolarHBondContact CG-OE1 3.5Å; Q383-E387 PolarHBondContact NE2-OE1 2.91Å; Q383-E387 WeakPolarHBondContact O-CG 3.31Å; Q383-E387 PolarHBondContact O-N 2.9Å; A384-E387 PolarHBondContact O-N 3.34Å; E387-A389 VanDerWaalsContact C-N 3.31Å; E387-A389 PolarHBondContact O-N 3.49Å; E387-Q390 PolarHBondContact O-N 2.83Å; E387-A391 WeakPolarHBondContact O-CB 3.5Å; E387-A391 PolarHBondContact O-N 2.97Å
388L72.4Confident68.2Low138 Ų138119.5 Ų119.572%0.72363%0.631SS**Hα-helixtrans-62.3-37.8172.9-155.886.5000112A384 R392A384-L388 WeakPolarHBondContact O-CB 3.35Å; A384-L388 PolarHBondContact O-N 2.78Å; L388-R392 WeakPolarHBondContact O-CB 3.43Å; L388-R392 PolarHBondContact O-N 3.01Å
389A66.5Low65.2Low56 Ų56118.8 Ų118.846%0.46364%0.643SS.*Hα-helixtrans-72.1-32.3174.800000112.7G385 L386 E387 R392 K393G385-A389 WeakPolarHBondContact O-CB 3.34Å; G385-A389 PolarHBondContact O-N 3.18Å; L386-A389 CarbonylContact O-C 2.96Å; L386-A389 WeakPolarHBondContact O-CB 3.48Å; L386-A389 PolarHBondContact O-N 2.91Å; E387-A389 VanDerWaalsContact C-N 3.31Å; E387-A389 PolarHBondContact O-N 3.49Å; A389-R392 PolarHBondContact O-N 3.47Å; A389-K393 PolarHBondContact O-N 3.41Å
390Q58.1Low62.4Low143 Ų143115.5 Ų115.567%0.66865%0.648SS**Hα-helixtrans-74.2-41.5177.7-171165.9-5.800111.5L386 E387 R392 K393 G394L386-Q390 WeakPolarHBondContact O-CB 3.41Å; L386-Q390 PolarHBondContact O-N 3.12Å; E387-Q390 PolarHBondContact O-N 2.83Å; Q390-R392 VanDerWaalsContact C-N 3.26Å; Q390-R392 PolarHBondContact O-N 3.26Å; Q390-K393 WeakPolarHBondContact O-CA 3.23Å; Q390-K393 WeakPolarHBondContact O-CB 3.16Å; Q390-K393 PolarHBondContact O-N 3.24Å; Q390-G394 PolarHBondContact O-N 3.46Å
391A52.2Low59.5Low78 Ų78114.3 Ų114.365%0.64566%0.655SS**Hα-helixtrans-56.9-41.3168.800000111.4E387 K393 G394E387-A391 WeakPolarHBondContact O-CB 3.5Å; E387-A391 PolarHBondContact O-N 2.97Å; A391-K393 PolarHBondContact O-N 3.47Å; A391-G394 PolarHBondContact O-N 2.99Å; A391-G394 VanDerWaalsContact O-N 3.17Å
392R52.5Low56.9Low217 Ų217119 Ų11982%0.81967%0.673SS**THydrogen-bonded Turntrans-66.3-17.9174.2-163.5174.1-175.1-179.12.3113.8L388 A389 Q390L388-R392 WeakPolarHBondContact O-CB 3.43Å; L388-R392 PolarHBondContact O-N 3.01Å; A389-R392 PolarHBondContact O-N 3.47Å; Q390-R392 VanDerWaalsContact C-N 3.26Å; Q390-R392 PolarHBondContact O-N 3.26Å
393K49.2Very low54Low191 Ų191125.8 Ų125.883%0.8369%0.693SS**THydrogen-bonded Turntrans-88.9-8.8175.5-122.8-173.6179.5-170.50114.1A389 Q390 A391 G395A389-K393 PolarHBondContact O-N 3.41Å; Q390-K393 WeakPolarHBondContact O-CA 3.23Å; Q390-K393 WeakPolarHBondContact O-CB 3.16Å; Q390-K393 PolarHBondContact O-N 3.24Å; A391-K393 PolarHBondContact O-N 3.47Å; K393-G395 VanDerWaalsContact C-N 3.32Å
394G45.2Very low51.1Low70 Ų70131.1 Ų131.172%0.72271%0.708SS**SBendtrans-80.6-10167.700000113.9Q390 A391 Q396Q390-G394 PolarHBondContact O-N 3.46Å; A391-G394 PolarHBondContact O-N 2.99Å; A391-G394 VanDerWaalsContact O-N 3.17Å; G394-Q396 PolarHBondContact O-N 3.2Å
395G40.8Very low48.7Very low60 Ų60136.1 Ų136.162%0.61973%0.727SS**SBendtrans-73.711617400000111.5K393K393-G395 VanDerWaalsContact C-N 3.32Å
396Q35.9Very low46Very low182 Ų182141.7 Ų141.785%0.8574%0.742SS**PPolyproline II helixtrans-62.5150.7-168.7-171.11734.100115G394 L398G394-Q396 PolarHBondContact O-N 3.2Å; Q396-L398 PolarHBondContact O-N 3.41Å
397E46.2Very low43.7Very low181 Ų181144.6 Ų144.685%0.84676%0.758SS**PPolyproline II helixtrans-62.1116171.9-60.6175109.900112.6
398L37.1Very low41.4Very low169 Ų169146.3 Ų146.389%0.88578%0.776SS**  trans-138.798.3153.5-75.9-179.3000109Q396Q396-L398 PolarHBondContact O-N 3.41Å
399G31.7Very low39.4Very low69 Ų69144.3 Ų144.371%0.71178%0.779SS**  trans-75.2130.7-177.300000112.7S401G399-S401 PolarHBondContact O-N 3.19Å
400P34.4Very low37.6Very low128 Ų128145.1 Ų145.183%0.83179%0.792SS**  trans-73.995.8175.229.7-33.6000110.6K402P400-K402 PolarHBondContact O-N 3.38Å
401S31.2Very low36.2Very low111 Ų111149.4 Ų149.478%0.77680%0.802SS**  trans-68.6123.2175.455.10000110.9G399 R403G399-S401 PolarHBondContact O-N 3.19Å; S401-R403 PolarHBondContact O-N 3.44Å
402K37.3Very low34.9Very low211 Ų211149.5 Ų149.592%0.91781%0.811SS**  trans-71.594.4-179.7-66.5179.2-179176.40110.7P400P400-K402 PolarHBondContact O-N 3.38Å
403R27.8Very low33.7Very low240 Ų240144.6 Ų144.691%0.90681%0.809SS**PPolyproline II helixtrans-81.8133.6162-105.8-177174.3-173.1-2.3110.2S401S401-R403 PolarHBondContact O-N 3.44Å
404R27.3Very low32.5Very low211 Ų211142 Ų14280%0.79681%0.813SS**PPolyproline II helixtrans-61.1145.3168.8-76.3-179166.8-160.7-3.2109.7
405L30.5Very low31.6Very low160 Ų160150.2 Ų150.284%0.83882%0.823SS**PPolyproline II helixtrans-74133.5147.3-88.373.8000108
406Q29.9Very low30.8Very low156 Ų156154.8 Ų154.873%0.72983%0.833SS**  trans-131.2129.7151.7-79.3-178.8-66.200106V408Q406-V408 PolarHBondContact O-N 3.17Å
407D31.1Very low30.8Very low159 Ų159151.7 Ų151.785%0.8583%0.829SS**  trans-70.9125.8173.5-72.6-64.1000110.2
408V32.8Very low29.8Very low143 Ų143150.9 Ų150.987%0.86783%0.83SS**  trans-135.5136153.1-178.20000106.9Q406Q406-V408 PolarHBondContact O-N 3.17Å
409A30.4Very low29.4Very low96 Ų96146.7 Ų146.779%0.79382%0.819SS**  trans-81.1173.1-16900000113.9
410G27.9Very low29.2Very low72 Ų72152.1 Ų152.174%0.74283%0.826SS**  89.151.6129.500000119.1
411R29Very low28.7Very low233 Ų233151.3 Ų151.388%0.87982%0.824SS**  trans32.599.9134.2-173.5-161.1-60.6-88.61.9116.9
412G24.8Very low28.5Very low80 Ų80150.5 Ų150.583%0.82582%0.818SS**  trans-127.3131.8158.400000110.1
413C27.3Very low28Very low115 Ų115149.8 Ų149.878%0.77782%0.816SS**  trans-102.2141.6-174-600000112
414C24.3Very low27.8Very low136 Ų136143.1 Ų143.192%0.91981%0.805SS**  trans-65.1145.7159.4-580000109.8
415R25.7Very low27.7Very low243 Ų243142 Ų14292%0.91781%0.806SS**  trans-141.6130.3173.4-166.5-177.6-169.2-158.41.9109.1
416D24.4Very low27.3Very low156 Ų156139.2 Ų139.283%0.83480%0.8SS**  trans-75.1161.8-178.6-74.6-59.7000113.2
417P36.6Very low27.6Very low117 Ų117137.5 Ų137.576%0.7680%0.803SS**  trans-104.4150.9-145.237.6-35.5000115.7
418N25.5Very low27.2Very low163 Ų163141.4 Ų141.487%0.87281%0.806SS**  trans-164.1163.7142.1-140.2-29.8000112.5
419A27.3Very low26.8Very low81 Ų81138.3 Ų138.367%0.66980%0.795SS**  trans59.5113.8175.800000116.2
420Q27Very low26.7Very low183 Ų183141.9 Ų141.986%0.85580%0.797SS**  89.7142.161.1-86.2-165.5-17.400114.7
421S24.7Very low26.6Very low112 Ų112143.3 Ų143.378%0.78379%0.792SS**  trans61121.4-174.161.60000114.9
422S27.4Very low26.4Very low93 Ų93138.6 Ų138.665%0.6578%0.78SS**  cis93.4130.933.7-62.20000113.5
423F25.7Very low26.6Very low197 Ų197144.2 Ų144.286%0.86478%0.776SS**  trans68.9149.4174.2-47.7-63.6000115.1
424S25.5Very low26.7Very low99 Ų99145 Ų14569%0.69277%0.766SS**  cis-160.3162.6-12.4-112.80000111
425K24.2Very low26.9Very low188 Ų188145.5 Ų145.582%0.81776%0.755SS**  trans27.6115.1154.5-71.3-179.21751780120.4
426S22.2Very low27.2Very low101 Ų101138.2 Ų138.271%0.70674%0.741SS**  17.5155.910969.90000120.5
427P36.7Very low27.4Very low121 Ų121135.9 Ų135.979%0.78674%0.737SS**  cis-142.6-162.615.842.2-20.8000115.8
428W23.2Very low26.9Very low241 Ų241137.8 Ų137.891%0.91374%0.74SS**  trans-35.4139.8168.4-79.122.7000120.5
429A23.1Very low27Very low77 Ų77136 Ų13664%0.63673%0.727SS**  58.8146.2114.600000123.8
430M27.6Very low27.5Very low171 Ų171142 Ų14284%0.84273%0.731SS**  trans66.4170161.2-57.6-125.9-72.100114.6
431T26.4Very low27.6Very low103 Ų103137.1 Ų137.163%0.63272%0.723SS**  cis-151.5169.39.8-29.40000110.5
432E25.1Very low28.2Very low134 Ų134143.3 Ų143.363%0.62673%0.729SS**  trans66.6148.5156.1-61.1176.1179.500119.4
433R28.2Very low28.1Very low198 Ų198143 Ų14375%0.74773%0.727SS**  144.8131114.6-71.7-163.5170.4167.94.2109.5
434K31.1Very low28Very low132 Ų132138.8 Ų138.857%0.57472%0.717SS**  cis-169.5153.1-0.8-123173.2174.7-144.60109.6
435H28.6Very low28.2Very low146 Ų146141.4 Ų141.468%0.67672%0.718SS**  trans63.4157.3147.1-63.5-31.6000118
436S30.3Very low28.3Very low90 Ų90138.4 Ų138.463%0.62972%0.716SS**  cis-164.4175.1-16.2-103.90000109.9
437S29.6Very low28.4Very low106 Ų106143.9 Ų143.974%0.74172%0.721SS**  trans69.2124.7155.628.70000117
438L26.8Very low28.3Very low157 Ų157146.6 Ų146.682%0.82272%0.723SS**  71.1120.967.1-157.574.4000109.1
439E27.4Very low28.6Very low127 Ų127138.1 Ų138.159%0.59370%0.699SS**  cis-150.1174.729.2-152.1179.6-108.500113.9
440R36.5Very low28.7Very low205 Ų205144.2 Ų144.277%0.77471%0.706SS**  trans72.780.5155.7-135.1164-69.7-164.81.5115.1
441A30.4Very low28.5Very low82 Ų82141 Ų14168%0.67870%0.7SS**  71.7130.677.700000113.2
442R35.5Very low28.5Very low241 Ų241141.7 Ų141.791%0.90971%0.709SS**  cis-159155.80.5-98.8158.3-169.8174.94106.7
443S25.6Very low28.5Very low87 Ų87138.3 Ų138.361%0.60870%0.7SS**  cis-162.9135.4-14.5-179.20000108.8
444V24.8Very low28.3Very low109 Ų109133.6 Ų133.666%0.66169%0.694SS**  trans8.1135133-136.80000114.5
445H28.9Very low28.3Very low154 Ų154132 Ų13271%0.71371%0.706SS**  -155.815160.2-60.7-84.9000117.1
446T25.7Very low28.1Very low124 Ų124134 Ų13476%0.76171%0.707SS**  trans31.9105141.4-44.30000119.3
447W25.7Very low28Very low216 Ų216135.2 Ų135.282%0.81870%0.703SS**  trans-154.4102.5154.2-123-44.1000113.8P449W447-P449 PolarHBondContact NE1-O 3.25Å
448E33.3Very low28Very low179 Ų179136 Ų13684%0.83671%0.709SS**  -112147.5124.3-147.4-146.4-110.900104.7
449P30.3Very low28.1Very low63 Ų63133.7 Ų133.741%0.40970%0.704SS.*SBendcis-120.6-160.2-21.440.5-25.3000110.8W447W447-P449 PolarHBondContact NE1-O 3.25Å
450W25.4Very low28.8Very low205 Ų205132.1 Ų132.178%0.77771%0.705SS**  trans53.5126.4155.4-68.4-38000121
451S24Very low28.2Very low102 Ų102131 Ų13171%0.71371%0.708SS**  -169.8156106.2-83.10000109.4
452S25.9Very low28.1Very low119 Ų119137.8 Ų137.883%0.83272%0.716SS**  cis-75.9121.616.438.90000116.2
453S25.3Very low27.6Very low62 Ų62130.1 Ų130.143%0.43471%0.705SS.*  trans-106.9171.7140.4640000107.8
454T24.1Very low27.7Very low100 Ų100137.9 Ų137.961%0.61372%0.721SS**  trans68.3154172.773.10000115.5R456T454-R456 HydrophobicContact CG2-CB 3.98Å; T454-R456 HydrophobicContact CG2-CG 3.84Å
455A30.4Very low27.7Very low99 Ų99136.5 Ų136.582%0.81873%0.728SS**  cis-48.6141-5.300000115.5
456R25Very low27.5Very low188 Ų188133.5 Ų133.571%0.70973%0.73SS**  cis55.7134.45.9-93.6-169.8177.5-159.28.6115.3T454T454-R456 HydrophobicContact CG2-CB 3.98Å; T454-R456 HydrophobicContact CG2-CG 3.84Å
457E28.2Very low27.5Very low114 Ų114136.9 Ų136.953%0.53374%0.738SS.*  cis-165.114333.2-150.1149.7-156.500111.5
458S28.8Very low27.5Very low124 Ų124129.9 Ų129.987%0.86773%0.733SS**SBendtrans179.1127.7147.4-83.70000110.2
459C28.1Very low27.2Very low107 Ų107129.1 Ų129.172%0.72373%0.729SS**  cis-148.8151.6-39.6-126.60000107.3
460P42.9Very low27.1Very low94 Ų94132.2 Ų132.261%0.6174%0.742SS**  trans-85.2165.5-176.436.2-35.4000111.9
461Q23.9Very low27.1Very low182 Ų182132.2 Ų132.285%0.8574%0.742SS**  -151.9157117.9-150.961.2-39.800112.4
462R27.9Very low27.5Very low225 Ų225131 Ų13185%0.84973%0.734SS**  trans-120.4164.8179.4-169.1-167.7-63.6-167.20.3108.6
463A26.2Very low27.7Very low80 Ų80134 Ų13466%0.66173%0.732SS**  trans113.8107.9146.100000117.5
464W27.8Very low27.7Very low249 Ų249138.6 Ų138.694%0.94375%0.747SS**  25.3109.3122.9-64.691.6000118.4
465G23.5Very low27.6Very low80 Ų80144.9 Ų144.983%0.82576%0.759SS**  trans-127.1130.3150.100000108.4
466A24.8Very low28.3Very low91 Ų91144.8 Ų144.875%0.75275%0.75SS**  trans-101.7137.8-171.300000113.2
467Q25.4Very low28.2Very low196 Ų196144.9 Ų144.992%0.91676%0.759SS**  trans54.7109.7140.3-169170.331.900119.1
468G25.3Very low28.2Very low69 Ų69144.5 Ų144.571%0.71177%0.768SS**  trans-153.861.7175.900000116.5
469Q28.6Very low29.2Very low162 Ų162143.4 Ų143.476%0.75776%0.759SS**  trans65.4154.5160.3-53.2-175.994.800115.9
470D27.8Very low29Very low128 Ų128145.5 Ų145.568%0.68476%0.757SS**  cis-119.61452.3-90.9-56.3000110.3
471R25.8Very low28.3Very low205 Ų205148.6 Ų148.677%0.77476%0.764SS**  68.2132.568.6-68.8-172.3166.1-175.7-1.9114.8
472S32.5Very low28.4Very low78 Ų78150.3 Ų150.355%0.54576%0.763SS.*  cis-176.6154.1-6.848.10000114.4
473F28.6Very low28.3Very low181 Ų181147.6 Ų147.679%0.79476%0.764SS**  trans73144.1158.4-54.7-50.5000118.4
474Q27Very low28.1Very low159 Ų159146.7 Ų146.774%0.74376%0.762SS**  cis-151.1130.8-0.8-115.7168.87500108.7
475R20.6Very low28.1Very low231 Ų231142.8 Ų142.887%0.87275%0.754SS**  65.2156.7103.9-93.6-165.5-177.3167.73.7118.4
476P46.1Very low28.2Very low98 Ų98148 Ų14864%0.63676%0.755SS**  cis-139.2-172.4-17.938.8-18.8000116.2
477E21.9Very low28.3Very low189 Ų189148.4 Ų148.488%0.88375%0.752SS**  trans83.2169.7144.8-88.8166.2179.100124.3
478S27.7Very low28.4Very low106 Ų106147.6 Ų147.674%0.74175%0.748SS**  trans-145.1-172-173.468.30000108
479P50Low29Very low102 Ų102154.8 Ų154.866%0.66275%0.754SS**  cis-143.1-163.611.126.52.9000116.6
480H24.9Very low29.3Very low150 Ų150152.8 Ų152.869%0.69476%0.755SS**  trans83.7107.5161-73.1-74.6000123.1
481E27.4Very low29.2Very low160 Ų160158 Ų15875%0.74877%0.765SS**  36140.2121.2-58.1-177.510000123.8
482R25.7Very low29.2Very low218 Ų218154.2 Ų154.282%0.82377%0.77SS**  122.1133.1118.8-148.2-178.9-161.6171.77.7115.8
483L25.8Very low28.9Very low167 Ų167154.8 Ų154.887%0.87478%0.779SS**  trans62.6165.8171.1-71148000114.3
484G22.3Very low29Very low61 Ų61154.2 Ų154.263%0.62978%0.783SS**  cis177.6167-8.300000111.8
485H28.3Very low29Very low168 Ų168151.7 Ų151.778%0.77879%0.79SS**  trans-66153.7171.4-47.9-92000111.5
486F25.6Very low29.3Very low189 Ų189144.4 Ų144.483%0.82979%0.787SS**  152.9170.9115.5-89-63.8000114.3
487S27.8Very low28.4Very low100 Ų100149.1 Ų149.170%0.69980%0.8SS**  trans81.4142.9161.382.80000116.7
488Q27.2Very low28.5Very low178 Ų178144.6 Ų144.683%0.83280%0.795SS**  cis-154.4156.9-15.7-121.8169.248.500110
489R36.6Very low28.4Very low220 Ų220144.6 Ų144.683%0.8379%0.794SS**PPolyproline II helixtrans-80.6140.5157.3-75.9-170.8-178.2-169.61.5109
490P36.2Very low27.6Very low120 Ų120143.8 Ų143.878%0.77979%0.791SS**PPolyproline II helixtrans-94.1168.3136.1-18.834.6000111.9
491W25.3Very low28.7Very low239 Ų239139.3 Ų139.391%0.90578%0.775SS**PPolyproline II helixtrans-98.2154.6177.8-75.540.8000111.3
492S25.7Very low28.9Very low125 Ų125137.2 Ų137.287%0.87477%0.765SS**PPolyproline II helixtrans-88.1137.4163-51.30000110.3
493A26.7Very low29.3Very low89 Ų89135.9 Ų135.974%0.73676%0.76SS**  trans-141.7126.7169.500000111.6
494L29.7Very low29.5Very low169 Ų169131.8 Ų131.889%0.88575%0.751SS**  trans52.699.4151.6-60.5170.2000120.3
495A27.7Very low29.9Very low107 Ų107140.4 Ų140.488%0.88476%0.764SS**  34.2132.6122.800000122.2
496G27.1Very low29.9Very low78 Ų78135.9 Ų135.980%0.80476%0.763SS**  trans165.790.8156.600000118.8
497Q26.6Very low29.8Very low196 Ų196132.3 Ų132.392%0.91677%0.768SS**  trans41.7135.9147.2-87.7-177.232.700125.4
498A24.9Very low29.9Very low94 Ų94135.9 Ų135.978%0.77777%0.774SS**  trans82.2140.6133.200000123.8
499C25.5Very low29.8Very low107 Ų107138.2 Ų138.272%0.72378%0.775SS**  trans-98.1173.5168.2-72.50000110.3
500S32.6Very low29.5Very low85 Ų85136.9 Ų136.959%0.59478%0.779SS**  cis-173.8171.4-2154.20000109.4
501P47.2Very low28.9Very low55 Ų55134.6 Ų134.636%0.35778%0.776SS.*  trans-131.3-162.915923.4-0.5000112.2P528 Q529 Q530P501-P528 VanDerWaalsContact C-C 3.42Å; P501-P528 CarbonylContact C-O 3.54Å; P501-P528 CarbonylContact O-C 3.55Å; P501-P528 WeakPolarHBondContact O-CA 3.47Å; P501-Q529 VanDerWaalsContact C-N 3.34Å; P501-Q529 CarbonylContact C-O 3.48Å; P501-Q529 WeakPolarHBondContact CB-O 3.44Å; P501-Q529 PolarHBondContact O-N 2.94Å; P501-Q530 HydrophobicContact CG-CG 3.82Å
502Q31.8Very low29.6Very low117 Ų117129 Ų12955%0.54777%0.771SS.*  -161.3143.1-70.4-174.4-176.367.200113.1P528 Q529Q502-P528 VanDerWaalsContact N-C 3.29Å; Q502-P528 PolarHBondContact N-O 3.35Å; Q502-Q529 PolarHBondContact N-O 3.2Å
503R34.2Very low29.9Very low189 Ų189128.2 Ų128.271%0.71377%0.765SS**  trans75.4167.1163.4-97.6179.5-88-136.11.7116.8
504A30.6Very low29.9Very low81 Ų81129.6 Ų129.667%0.66977%0.77SS**  cis-151.5162.217.900000115.9
505W31Very low30Very low243 Ų243130.5 Ų130.592%0.9277%0.769SS**  trans12.2151.4155.6-58.180.6000122.9
506G27Very low30Very low72 Ų72137.1 Ų137.174%0.74277%0.771SS**  cis163.3158.6-2.800000113.4
507A25.2Very low30.7Very low115 Ų115139.6 Ų139.695%0.9577%0.773SS**  trans-148.6178.2-178.500000114.4
508Q29.1Very low30.6Very low175 Ų175133.2 Ų133.282%0.81876%0.761SS**  trans-109.1141.7-144.3-169.1178.432.400117.2
509R25.4Very low30.9Very low226 Ų226134.8 Ų134.885%0.85377%0.766SS**  trans65148.1156.9-81.8179.8179-980.8122.8
510Q28.9Very low31.5Very low193 Ų193135.5 Ų135.590%0.90277%0.769SS**  trans-66.3164.4179.4-51.61646.400112.7
511G25.3Very low31.7Very low71 Ų71137.3 Ų137.373%0.73278%0.779SS**  cis158.3-171.55.100000108.6
512P40.4Very low30.8Very low122 Ų122142 Ų14279%0.79280%0.796SS**  cis-128.6174.2-17.842.1-27000115.1
513S30.9Very low30.6Very low108 Ų108143.8 Ų143.876%0.75580%0.802SS**  trans77.6161.2160.986.40000121.1
514S26.5Very low30.2Very low118 Ų118145.8 Ų145.883%0.82581%0.809SS**  trans79.5165.1163-54.90000119.2
515Q31.6Very low30.4Very low188 Ų188147.5 Ų147.588%0.87982%0.816SS**  trans-110.4129.8-157.6-58177.4000114.8
516R29.2Very low30.7Very low246 Ų246141.4 Ų141.493%0.92881%0.808SS**  trans58.9168.6176.6-79.8-179.7167.5173.5-3.5114.5
517P39.8Very low30.8Very low130 Ų130145.1 Ų145.184%0.84480%0.804SS**  cis-96.2-163-1540.8-33.1000111.1
518G25Very low32Very low63 Ų63143.2 Ų143.265%0.64978%0.782SS**  cis136.8136.7-15.900000115
519S31.6Very low32Very low127 Ų127142 Ų14289%0.88878%0.776SS**  trans68.5160.3176.1-59.50000117.8
520P39.1Very low32.6Very low122 Ų122138.1 Ų138.179%0.79277%0.768SS**  cis-117.4169.2-9.240.6-28.9000114.2
521P35.3Very low33.2Very low122 Ų122134.7 Ų134.779%0.79276%0.762SS**  trans-116.2148.4178.138.6-28.6000115.4
522E28.1Very low33.4Very low153 Ų153142.3 Ų142.372%0.71577%0.769SS**  trans-159.3151.3144.7-124.3-160.1154.400114.7
523K28.1Very low33.2Very low155 Ų155142 Ų14267%0.67477%0.77SS**  trans6792.7157.1-69.9158.3178.9146.20121.6
524R26Very low33.3Very low232 Ų232140.9 Ų140.988%0.87577%0.767SS**  trans69.2128.7130.8-63-178.3175-175.2-1.4122.5
525S35.5Very low33.5Very low117 Ų117141.9 Ų141.982%0.81877%0.768SS**  trans70.7157.3163.180.80000115.7
526P37.2Very low33.5Very low114 Ų114137.2 Ų137.274%0.7476%0.761SS**  -156.3-155.768.945.4-23.3000116.7
527F29.4Very low33.4Very low151 Ų151132.1 Ų132.166%0.66276%0.758SS**  trans-123.8-158.2167.4-87-87.9000107.8
528P49.4Very low33Very low75 Ų75134 Ų13449%0.48776%0.755SS.*  cis-142.4165.7-044-24.8000119.2P501 Q502P501-P528 VanDerWaalsContact C-C 3.42Å; P501-P528 CarbonylContact C-O 3.54Å; P501-P528 CarbonylContact O-C 3.55Å; P501-P528 WeakPolarHBondContact O-CA 3.47Å; Q502-P528 VanDerWaalsContact N-C 3.29Å; Q502-P528 PolarHBondContact N-O 3.35Å
529Q30.1Very low33.5Very low150 Ų150136.3 Ų136.370%0.70176%0.759SS**  trans55.9171.4143.5-71.5-166.9-100124.4P501 Q502P501-Q529 VanDerWaalsContact C-N 3.34Å; P501-Q529 CarbonylContact C-O 3.48Å; P501-Q529 WeakPolarHBondContact CB-O 3.44Å; P501-Q529 PolarHBondContact O-N 2.94Å; Q502-Q529 PolarHBondContact N-O 3.2Å
530Q36.4Very low33.7Very low143 Ų143135.7 Ų135.767%0.66875%0.753SS**  trans-95.6-173.7-170.4-59.8-175.8-37.400114.1P501P501-Q530 HydrophobicContact CG-CG 3.82Å
531P41.8Very low34Very low121 Ų121136 Ų13679%0.78676%0.755SS**  trans-128-179.2136.636.7-25.7000115.7
532W29.4Very low33.6Very low231 Ų231141.2 Ų141.288%0.87576%0.759SS**  trans-129.3169.4-155.2-84.920000118.1
533S36.3Very low33.8Very low115 Ų115145.3 Ų145.380%0.80477%0.768SS**  trans-171.5153.5137.7-74.30000110.2
534A33Very low33.8Very low85 Ų85141.2 Ų141.270%0.70276%0.763SS**  cis93.3148.51200000115.8
535V32.1Very low33.8Very low139 Ų139141.5 Ų141.584%0.84276%0.764SS**  cis-154.4150.517.4-169.60000113.2
536A29.9Very low33.5Very low90 Ų90141.3 Ų141.374%0.74476%0.758SS**  trans64.4158.4159.200000121.2
537T28.2Very low32.9Very low139 Ų139140.2 Ų140.285%0.85376%0.759SS**  cis-157174.332.5-44.60000113.7
538Q30.3Very low32.9Very low169 Ų169139.4 Ų139.479%0.7977%0.771SS**  trans-102.3-175.2171.1-100.3-146.654.500112.5
539P36.1Very low31.9Very low112 Ų112143.5 Ų143.573%0.72778%0.784SS**  cis-130.6-163.7-1.742.4-23.8000115.2
540C35.7Very low31.7Very low114 Ų114143.2 Ų143.277%0.7779%0.792SS**  trans-97163.4-178.3-520000115.9
541P46.3Very low31.3Very low128 Ų128147.5 Ų147.583%0.83180%0.802SS**  -138-178.3104.141.6-30000112.3
542R26.8Very low30.6Very low232 Ų232150.4 Ų150.488%0.87581%0.805SS**  cis-161.1151.125.3-174172.4170.7175-4111.9
543R32.4Very low30.8Very low239 Ų239146.7 Ų146.790%0.90280%0.802SS**  trans-24.8160.8164.6-79.7-179.3-95.5-140.3-6.2119.3
544A26.7Very low30.8Very low69 Ų69146.4 Ų146.457%0.5780%0.798SS**  cis178.2149.7-6.500000113.8
545W27.7Very low30.5Very low238 Ų238145.3 Ų145.390%0.90280%0.795SS**  trans62.7153.2148.7-69.947.8000118.5
546T28.9Very low30.5Very low113 Ų113145 Ų14569%0.69380%0.796SS**  cis-156.7163.4-9.370000112.9
547A24.7Very low30.4Very low92 Ų92151.7 Ų151.776%0.7680%0.802SS**  trans-3.6139.3159.700000122.5
548C27.7Very low30.6Very low134 Ų134153.8 Ų153.891%0.90581%0.807SS**  -161.9169.1104.7-119.60000111.8
549E29.2Very low30.5Very low161 Ų161156.9 Ų156.975%0.75281%0.811SS**  trans-82141.1-172.5-55.9-178133.500114.3
550T27Very low30Very low143 Ų143158.9 Ų158.988%0.87782%0.816SS**  trans-150.9131.2139.9-0.90000108.4
551W27.8Very low29.6Very low234 Ų234159.8 Ų159.889%0.88682%0.82SS**PPolyproline II helixtrans-75.4128.5-172-80.475.3000112.2
552E26.4Very low29.1Very low182 Ų182161.5 Ų161.585%0.8582%0.822SS**PPolyproline II helixtrans-67.1150.8167.4-66.7-170.7137.900111.3P554E552-P554 WeakPolarHBondContact O-CD 3.33Å
553D33.3Very low29.1Very low152 Ų152157.8 Ų157.881%0.81381%0.814SS**PPolyproline II helixtrans-98.7117.1178.3-171.412.3000110.6
554P35.8Very low28.9Very low110 Ų110156.6 Ų156.671%0.71481%0.81SS**  trans-113115.51689.113.8000110.7E552E552-P554 WeakPolarHBondContact O-CD 3.33Å
555G27.3Very low29.3Very low62 Ų62159 Ų15964%0.63982%0.819SS**PPolyproline II helixtrans-47.1139.4-174.700000115.2R557G555-R557 PolarHBondContact O-N 3.25Å
556P31.8Very low29.3Very low132 Ų132153 Ų15386%0.85781%0.813SS**PPolyproline II helixtrans-58.4123.5-171.2-28.135.8000114.8
557R28.1Very low29.6Very low231 Ų231153.3 Ų153.387%0.87282%0.818SS**PPolyproline II helixtrans-65.4136176.4-55.9-179.8-173.1-157.40.9111G555 R559G555-R557 PolarHBondContact O-N 3.25Å; R557-R559 PolarHBondContact O-N 2.95Å
558L33.6Very low30.1Very low182 Ų182155 Ų15595%0.95382%0.821SS**PPolyproline II helixtrans-53.4120.9166.5-77.3160.8000110.3
559R27.7Very low30.4Very low234 Ų234153.5 Ų153.588%0.88382%0.818SS**  trans-118.4153.6172.1-88.4-172167.5-173.4-1.5110.9R557R557-R559 PolarHBondContact O-N 2.95Å
560N24.9Very low30.6Very low155 Ų155154.9 Ų154.983%0.82983%0.825SS**  trans-65.9141.9-166.3-58-51.9000114.2L562N560-L562 PolarHBondContact O-N 3.25Å; N560-L562 VanDerWaalsContact O-N 3.14Å
561P28Very low30.9Very low132 Ų132158.7 Ų158.786%0.85782%0.823SS**SBendtrans-84.975.2172.735.1-34.7000111.8
562L36Very low31.3Very low165 Ų165153.1 Ų153.186%0.86482%0.817SS**  trans-150.562.7168.2-163.966.1000114.5N560N560-L562 PolarHBondContact O-N 3.25Å; N560-L562 VanDerWaalsContact O-N 3.14Å
563E27Very low31.5Very low154 Ų154156.3 Ų156.372%0.7282%0.821SS**  trans-158118.9145.1-120.5-158.5123.700113.6
564R27.7Very low31.3Very low214 Ų214153.9 Ų153.981%0.80882%0.816SS**  trans62.6169.9161.2-58.4-175.6-163-158.31.3118.3
565P35.3Very low30.8Very low118 Ų118154.2 Ų154.277%0.76682%0.821SS**  cis-113.8168.6-17.531.4-15.6000113.5
566S27.1Very low30.9Very low112 Ų112157 Ų15778%0.78383%0.83SS**PPolyproline II helixtrans-66.8136.5171.9-50.50000111.9
567P34.8Very low30.9Very low120 Ų120154 Ų15478%0.77982%0.823SS**PPolyproline II helixtrans-74.1136.2174.929.8-33.9000111.4
568P34.7Very low31.1Very low127 Ų127149 Ų14983%0.82582%0.819SS**PPolyproline II helixtrans-74.2139.1173.230.9-33.9000110.9Q570P568-Q570 PolarHBondContact O-N 3.19Å
569A35.7Very low30.9Very low103 Ų103149.6 Ų149.685%0.85182%0.817SS**  trans-82.7114.3175.200000111.3
570Q32.1Very low30.9Very low190 Ų190149.4 Ų149.489%0.88882%0.816SS**  trans-144.9149.9152-77.2-142.844.100110.9P568P568-Q570 PolarHBondContact O-N 3.19Å
571R32.9Very low31.2Very low224 Ų224146.7 Ų146.785%0.84582%0.815SS**  trans-104137169.3-65.6-178.7177.7-155.9-1.3109.4
572P38Very low31.4Very low117 Ų117143.7 Ų143.776%0.7681%0.808SS**  trans-84.7124.3149.8-8.527000109.2
573W29.2Very low31.6Very low249 Ų249141.6 Ų141.694%0.94380%0.804SS**  trans-92.8125156.1-149.7-38000105.5
574S28.6Very low31.8Very low100 Ų100142.8 Ų142.870%0.69981%0.81SS**  trans-128.2106.6-178-62.20000111
575S27.3Very low32Very low117 Ų117136.3 Ų136.382%0.81881%0.809SS**  trans-72.3128.4167.3470000110.4G577S575-G577 VanDerWaalsContact C-N 3.33Å; S575-G577 PolarHBondContact O-N 2.94Å
576S28.9Very low32.1Very low120 Ų120140.5 Ų140.584%0.83982%0.816SS**  trans-76.278177.955.30000112.1
577G31.1Very low32.2Very low69 Ų69139 Ų13971%0.71182%0.818SS**  trans-88.6100.1166.300000110.4S575 Q579S575-G577 VanDerWaalsContact C-N 3.33Å; S575-G577 PolarHBondContact O-N 2.94Å; G577-Q579 PolarHBondContact O-N 3.41Å; G577-Q579 VanDerWaalsContact O-N 3.16Å
578V33.4Very low32.1Very low127 Ų127145.3 Ų145.377%0.7783%0.826SS**  trans-80.198-178.3-178.80000110.6
579Q28.2Very low31.8Very low195 Ų195142.2 Ų142.291%0.91182%0.817SS**  trans-79.5127.4153.7-76.1-174-10.800108.9G577G577-Q579 PolarHBondContact O-N 3.41Å; G577-Q579 VanDerWaalsContact O-N 3.16Å
580R27.6Very low31.6Very low229 Ų229145.6 Ų145.686%0.86482%0.819SS**  trans-115.7106.7170.8-179-175.1-70.4-138.50.7108.8
581A32.1Very low31.5Very low99 Ų99139.8 Ų139.882%0.81881%0.81SS**  trans-84144.5156.400000108.7
582G30.9Very low31.6Very low68 Ų68135 Ų13570%0.70181%0.811SS**  trans-106.2-172.317600000112.3
583P41.2Very low31.9Very low121 Ų121135.3 Ų135.379%0.78681%0.813SS**  trans-121.6136.6157.135.5-24.8000113.5
584Q32.2Very low32.1Very low180 Ų180130.4 Ų130.484%0.84181%0.81SS**  trans42113.8148.4-57-167.451.100121
585G30.3Very low32.2Very low77 Ų77131 Ų13179%0.79481%0.814SS**  trans-134.5122.8144.100000109.1
586K38.1Very low32.3Very low207 Ų207129.8 Ų129.890%0.981%0.811SS**  trans-81.8121.3179.1-72.5176.3179.4172.40109.9
587G29.5Very low32.3Very low80 Ų80128.1 Ų128.183%0.82581%0.805SS**  trans-142.8144.3173.200000110.8
588R32.2Very low32.5Very low253 Ų253133.2 Ų133.296%0.95581%0.807SS**  trans-127.6141.6-170.2-167.1-165.1-61.2-110.78.6109.8
589G28.2Very low32.5Very low62 Ų62135.5 Ų135.564%0.63981%0.809SS**  trans126.5103.5-178.100000109.9
590I31.7Very low32.5Very low174 Ų174131 Ų13189%0.89281%0.805SS**  73.6117.764.9-60.7168.9000112.5
591G29.9Very low33Very low67 Ų67127.3 Ų127.369%0.69180%0.802SS**  trans91.393.7144.800000118.2
592S34.3Very low33.7Very low125 Ų125128.5 Ų128.587%0.87480%0.801SS**  trans-81.2140.4138.3-580000108.8
593P44.4Very low33.8Very low122 Ų122135.6 Ų135.679%0.79281%0.807SS**  trans-119.3150.9148.635.4-28.2000111.8
594V34.9Very low34.2Very low147 Ų147135.1 Ų135.189%0.89180%0.804SS**  trans-101.5125.3170.6172.30000108.7
595S30.3Very low34.2Very low113 Ų113132.5 Ų132.579%0.7980%0.8SS**  trans-164.1124.6162.4-145.90000106.8
596A28.5Very low34.1Very low90 Ų90132 Ų13274%0.74480%0.795SS**  cis107.1122.631.200000112.6
597A30.1Very low33.6Very low86 Ų86128 Ų12871%0.71179%0.793SS**  trans73.698.1152.500000123.6
598K34.7Very low33.5Very low175 Ų175133.8 Ų133.876%0.76180%0.796SS**  70.8152.7122.5-54.7179.8-174.1175.70122.9
599H34.3Very low34.6Very low176 Ų176126.6 Ų126.682%0.81578%0.782SS**  trans71.1145.1163.8-49.4-66.5000115.8
600A27.8Very low34.6Very low99 Ų99132.1 Ų132.182%0.81879%0.791SS**  cis-143.8176.710.900000112.6
601L37.6Very low34.5Very low153 Ų153131.3 Ų131.380%0.80179%0.789SS**  trans-151.4128174.5-169.5152.7000110.6
602P47Very low35.6Very low124 Ų124133.6 Ų133.681%0.80579%0.791SS**  trans-106.4142.8166.634.2-25.7000112.8
603R33.5Very low35.4Very low216 Ų216135.6 Ų135.682%0.81579%0.791SS**  trans-114.6158.7173.5-157.7-171.5178.8-179.20.4108.4
604P49.3Very low34.7Very low111 Ų111132.5 Ų132.572%0.72178%0.781SS**  -143.9-165.210438.6-20.3000110.4
605T31.2Very low34.8Very low125 Ų125134.9 Ų134.977%0.76778%0.78SS**  cis-148143.51.2-34.90000109.5
606G28.5Very low35Very low67 Ų67137.8 Ų137.869%0.69178%0.781SS**  trans74.1146.4156.600000118.5
607S27.1Very low35.6Very low122 Ų122142.7 Ų142.785%0.85379%0.785SS**  cis-150.2166.3-17.247.80000110.6
608F29Very low35.8Very low203 Ų203145.5 Ų145.589%0.8979%0.788SS**  trans-105.4-170.5-172.9-80-87000111.2
609P53.7Low36.1Very low102 Ų102142.6 Ų142.666%0.66279%0.785SS**  cis-132.7171.4-16.719.94.3000115.1
610Q29.6Very low36.3Very low178 Ų178142.3 Ų142.383%0.83279%0.789SS**  164.3155.2111.2-82.9-167.635.400113.1
611N29.5Very low36.7Very low157 Ų157148.2 Ų148.284%0.8479%0.79SS**  trans-127.4-173.8176.4-71.9-63.7000107
612P51.9Low36.8Very low115 Ų115146.8 Ų146.875%0.74779%0.79SS**  cis-145.9-170.37.844.8-24.3000117.3
613L29.6Very low35.9Very low167 Ų167146.5 Ų146.587%0.87479%0.789SS**  trans70.8110.6138.6-168.566.2000121.8
614G30.4Very low36.4Very low56 Ų56142.2 Ų142.258%0.57779%0.79SS**  120.3117.5113.400000120.3
615K37.8Very low35.9Very low198 Ų198148.4 Ų148.486%0.86180%0.799SS**  trans64.2169.6159.6-43.9-73.7-176.7156.80114.5
616E33.4Very low36.3Very low173 Ų173148.1 Ų148.181%0.80880%0.801SS**  cis-131.6-179.6-11.4-164.1132.7144.300109.8
617K41.3Very low37.2Very low194 Ų194156.4 Ų156.484%0.84381%0.812SS**  trans-79.1140.1169.7-62171.6-180171.70109.5
618D35.5Very low37.9Very low144 Ų144153.1 Ų153.177%0.7780%0.797SS**  trans-147114.3136.1-134.9-25.4000115.9L620D618-L620 PolarHBondContact O-N 2.88Å
619T40.6Very low38.7Very low114 Ų114151.8 Ų151.870%0.69980%0.799SS**  trans19.491.3144.4-39.60000120.1
620L38.4Very low38.7Very low171 Ų171154.7 Ų154.790%0.89581%0.808SS**  trans-107.5125.9148.6-74.4179000110.9D618D618-L620 PolarHBondContact O-N 2.88Å
621R35.5Very low40Very low223 Ų223148.6 Ų148.684%0.84279%0.793SS**  trans-70.3137.1-176.6-65-178.9177.3-165.3-0.4111.6C623R621-C623 PolarHBondContact O-N 3.36Å
622P39.6Very low41.5Very low123 Ų123146.1 Ų146.180%0.79979%0.785SS**  trans-65115.1158.2-15.730.1000109.2
623C29.5Very low42Very low117 Ų117146 Ų14679%0.79179%0.787SS**  trans-60.6130.6174.7-69.20000110.1R621 R625R621-C623 PolarHBondContact O-N 3.36Å; C623-R625 PolarHBondContact O-N 3.12Å; C623-R625 VanDerWaalsContact O-N 3.09Å
624P42.7Very low43.8Very low126 Ų126145.3 Ų145.382%0.81878%0.779SS**  trans-65.5115.8173.627.4-32.5000108.3S626P624-S626 PolarHBondContact O-N 3.05Å; P624-S626 VanDerWaalsContact O-N 3.08Å
625R38.4Very low46.2Very low242 Ų242145.9 Ų145.991%0.91377%0.774SS**  trans-52.6121.5165.9-90.3-177.2169.8162.8-2.5107.5C623 R627C623-R625 PolarHBondContact O-N 3.12Å; C623-R625 VanDerWaalsContact O-N 3.09Å; R625-R627 PolarHBondContact O-N 3.4Å
626S40.2Very low48.4Very low118 Ų118140.4 Ų140.483%0.82576%0.761SS**  trans-55.9107.4172.439.50000108P624 G628P624-S626 PolarHBondContact O-N 3.05Å; P624-S626 VanDerWaalsContact O-N 3.08Å; S626-G628 PolarHBondContact O-N 3.12Å
627R48Very low51.1Low241 Ų241138.1 Ų138.191%0.90975%0.75SS**  trans-72.476.5172.2-173.8-174.6-66.4-109.21.6106.9R625 L629R625-R627 PolarHBondContact O-N 3.4Å; R627-L629 PolarHBondContact O-N 2.96Å
628G42.3Very low53.5Low53 Ų53131.5 Ų131.555%0.54673%0.728SS.*  trans-48.7133.4171.400000108.3S626 L630S626-G628 PolarHBondContact O-N 3.12Å; G628-L630 VanDerWaalsContact C-N 3.31Å; G628-L630 PolarHBondContact O-N 2.86Å
629L44.3Very low56.2Low176 Ų176129.6 Ų129.692%0.92172%0.717SS**  trans-62.596.9-179.4-73.4163.2000108.1R627 G631R627-L629 PolarHBondContact O-N 2.96Å; L629-G631 VanDerWaalsContact C-N 3.25Å; L629-G631 PolarHBondContact O-N 2.76Å
630L53.5Low58.8Low162 Ų162130.7 Ų130.785%0.84871%0.709SS**  trans-60.595.6165.6-82.7161.2000106.4G628G628-L630 VanDerWaalsContact C-N 3.31Å; G628-L630 PolarHBondContact O-N 2.86Å
631G57.1Low61.5Low50 Ų50126 Ų12652%0.51568%0.682SS.*  trans-52.9149.5172.100000109.5L629 S633L629-G631 VanDerWaalsContact C-N 3.25Å; L629-G631 PolarHBondContact O-N 2.76Å; G631-S633 PolarHBondContact O-N 3.28Å; G631-S633 VanDerWaalsContact O-N 3.08Å
632P61.5Low64.3Low106 Ų106120 Ų12069%0.68866%0.663SS**  trans-47.2120.4-168.1-30.135.4000112H634P632-H634 VanDerWaalsContact C-N 3.27Å; P632-H634 PolarHBondContact O-CD2 3.29Å; P632-H634 PolarHBondContact O-N 3.04Å
633S62.2Low67.1Low112 Ų112119.5 Ų119.578%0.78365%0.651SS**  trans-62.186.9-176.9-58.60000110.3G631 S635G631-S633 PolarHBondContact O-N 3.28Å; G631-S633 VanDerWaalsContact O-N 3.08Å; S633-S635 PolarHBondContact O-N 2.92Å
634H66.8Low70.3Confident153 Ų153119.4 Ų119.471%0.70863%0.634SS**  trans-54.8117.7-176.2-66.2-71.1000109.2P632P632-H634 VanDerWaalsContact C-N 3.27Å; P632-H634 PolarHBondContact O-CD2 3.29Å; P632-H634 PolarHBondContact O-N 3.04Å
635S82.5Confident72.9Confident67 Ų67118.1 Ų118.147%0.46962%0.617SS.*  trans-58.3145.6-18069.20000109.6S633 E637 S638 L639S633-S635 PolarHBondContact O-N 2.92Å; S635-E637 PolarHBondContact O-N 2.83Å; S635-S638 WeakPolarHBondContact O-CB 3.49Å; S635-S638 PolarHBondContact O-N 3.3Å; S635-S638 WeakPolarHBondContact OG-CB 3.32Å; S635-S638 PolarHBondContact OG-N 3.4Å; S635-L639 PolarHBondContact O-N 2.81Å
636S83.5Confident75.7Confident83 Ų83111.4 Ų111.458%0.5859%0.594SS**Hα-helixtrans-58-22.4177.365.20000111.9R640S636-R640 VanDerWaalsContact O-CG 3.28Å; S636-R640 WeakPolarHBondContact O-CG 3.47Å; S636-R640 PolarHBondContact O-N 3.46Å; S636-R640 PolarHBondContact O-NE 2.84Å; S636-R640 PolarHBondContact OG-NH2 3.45Å
637E89.9Confident78.4Confident125 Ų125107.8 Ų107.858%0.58457%0.572SS**Hα-helixtrans-72.2-48.6169.4-174144.8-12100113.3S635 L639 R640 E641S635-E637 PolarHBondContact O-N 2.83Å; E637-L639 VanDerWaalsContact C-N 3.3Å; E637-L639 PolarHBondContact O-N 3.41Å; E637-R640 CarbonylContact O-C 3.58Å; E637-R640 PolarHBondContact O-N 3.31Å; E637-E641 WeakPolarHBondContact O-CB 3.41Å; E637-E641 PolarHBondContact O-N 3.01Å
638S91.6Very high80.8Confident56 Ų56101.1 Ų101.139%0.39255%0.551SS.*Hα-helixtrans-56.8-41.2174.9179.80000112.3S635 E641 F642S635-S638 WeakPolarHBondContact O-CB 3.49Å; S635-S638 PolarHBondContact O-N 3.3Å; S635-S638 WeakPolarHBondContact OG-CB 3.32Å; S635-S638 PolarHBondContact OG-N 3.4Å; S638-E641 PolarHBondContact O-N 3.38Å; S638-F642 WeakPolarHBondContact O-CB 3.4Å; S638-F642 PolarHBondContact O-N 2.84Å
639L93.1Very high83.4Confident103 Ų103101.3 Ų101.354%0.53955%0.547SS..Hα-helixtrans-65.5-40.6174.5-179.759.7000112.4S635 E637 E641 M643S635-L639 PolarHBondContact O-N 2.81Å; E637-L639 VanDerWaalsContact C-N 3.3Å; E637-L639 PolarHBondContact O-N 3.41Å; L639-E641 VanDerWaalsContact C-N 3.33Å; L639-M643 HydrophobicContact CD1-CG 4.43Å; L639-M643 WeakPolarHBondContact O-CB 3.01Å; L639-M643 VanDerWaalsContact O-CG 3.29Å; L639-M643 WeakPolarHBondContact O-CG 3.47Å; L639-M643 PolarHBondContact O-N 3.14Å
640R93.9Very high85.9Confident137 Ų137101.2 Ų101.252%0.51754%0.535SS..Hα-helixtrans-65.4-37.4175-78176.5-72.91752.1111.5S636 E637 M643 R644S636-R640 VanDerWaalsContact O-CG 3.28Å; S636-R640 WeakPolarHBondContact O-CG 3.47Å; S636-R640 PolarHBondContact O-N 3.46Å; S636-R640 PolarHBondContact O-NE 2.84Å; S636-R640 PolarHBondContact OG-NH2 3.45Å; E637-R640 CarbonylContact O-C 3.58Å; E637-R640 PolarHBondContact O-N 3.31Å; R640-M643 PolarHBondContact O-N 3.33Å; R640-R644 WeakPolarHBondContact O-CG 3.46Å; R640-R644 PolarHBondContact O-N 3.13Å
641E95.1Very high88Confident73 Ų73102.3 Ų102.334%0.34153%0.528SS..Hα-helixtrans-64.6-49.6175.6-169.852.3-142.700111.8E637 S638 L639 M643 R644 Q645E637-E641 WeakPolarHBondContact O-CB 3.41Å; E637-E641 PolarHBondContact O-N 3.01Å; S638-E641 PolarHBondContact O-N 3.38Å; L639-E641 VanDerWaalsContact C-N 3.33Å; E641-M643 VanDerWaalsContact C-N 3.3Å; E641-M643 PolarHBondContact O-N 3.36Å; E641-R644 WeakPolarHBondContact O-CB 3.43Å; E641-R644 PolarHBondContact O-N 2.94Å; E641-R644 VanDerWaalsContact O-N 3.14Å; E641-R644 IonicContact OE2-CZ 3.31Å; E641-R644 IonicContact OE2-NE 2.72Å; E641-R644 PolarHBondContact OE2-NE 2.88Å; E641-R644 IonicContact OE2-NH2 3.17Å; E641-R644 PolarHBondContact OE2-NH2 3.25Å; E641-Q645 WeakPolarHBondContact O-CG 3.26Å; E641-Q645 PolarHBondContact O-N 2.8Å; E641-Q645 PolarHBondContact OE1-NE2 3.41Å; E641-Q645 VanDerWaalsContact OE1-NE2 3.07Å
642F95.9Very high90Very high98 Ų98108.7 Ų108.743%0.4354%0.536SS..Hα-helixtrans-57.5-40173.9179-112.4000113S638 Q645 K646S638-F642 WeakPolarHBondContact O-CB 3.4Å; S638-F642 PolarHBondContact O-N 2.84Å; F642-Q645 PolarHBondContact O-N 3.46Å; F642-K646 HydrophobicContact CD1-CD 4.43Å; F642-K646 HydrophobicContact CE1-CD 3.92Å; F642-K646 HydrophobicContact CE2-CD 4.38Å; F642-K646 HydrophobicContact CZ-CD 3.92Å; F642-K646 PolarHBondContact O-N 2.81Å
643M97.2Very high91.7Very high111 Ų111108.8 Ų108.855%0.54753%0.527SS..Hα-helixtrans-70.3-37.1176.3-71.6-65.4-75.800112.6L639 R640 E641 A647L639-M643 HydrophobicContact CD1-CG 4.43Å; L639-M643 WeakPolarHBondContact O-CB 3.01Å; L639-M643 VanDerWaalsContact O-CG 3.29Å; L639-M643 WeakPolarHBondContact O-CG 3.47Å; L639-M643 PolarHBondContact O-N 3.14Å; R640-M643 PolarHBondContact O-N 3.33Å; E641-M643 VanDerWaalsContact C-N 3.3Å; E641-M643 PolarHBondContact O-N 3.36Å; M643-A647 WeakPolarHBondContact O-CB 3.44Å; M643-A647 PolarHBondContact O-N 2.99Å
644R96.8Very high93.4Very high116 Ų116105.4 Ų105.444%0.43851%0.506SS..Hα-helixtrans-59.2-48.8169.2-76.7-175.3-73.8-108.18.1110.7R640 E641 A647 Q648R640-R644 WeakPolarHBondContact O-CG 3.46Å; R640-R644 PolarHBondContact O-N 3.13Å; E641-R644 WeakPolarHBondContact O-CB 3.43Å; E641-R644 PolarHBondContact O-N 2.94Å; E641-R644 VanDerWaalsContact O-N 3.14Å; E641-R644 IonicContact OE2-CZ 3.31Å; E641-R644 IonicContact OE2-NE 2.72Å; E641-R644 PolarHBondContact OE2-NE 2.88Å; E641-R644 IonicContact OE2-NH2 3.17Å; E641-R644 PolarHBondContact OE2-NH2 3.25Å; R644-A647 PolarHBondContact O-N 2.69Å; R644-Q648 WeakPolarHBondContact O-CG 3.38Å; R644-Q648 PolarHBondContact O-N 3.3Å
645Q96.9Very high94.9Very high99 Ų99103.7 Ų103.746%0.46350%0.501SS..Hα-helixtrans-62.8-44.8-179.8-69.3173.710.300112.1E641 F642 A647 Q648 A649E641-Q645 WeakPolarHBondContact O-CG 3.26Å; E641-Q645 PolarHBondContact O-N 2.8Å; E641-Q645 PolarHBondContact OE1-NE2 3.41Å; E641-Q645 VanDerWaalsContact OE1-NE2 3.07Å; F642-Q645 PolarHBondContact O-N 3.46Å; Q645-A647 VanDerWaalsContact C-N 3.34Å; Q645-A647 PolarHBondContact O-N 3.23Å; Q645-Q648 PolarHBondContact O-N 3.46Å; Q645-A649 WeakPolarHBondContact O-CB 3.28Å; Q645-A649 PolarHBondContact O-N 3.35Å
646K97.6Very high95.6Very high101 Ų101107.5 Ų107.544%0.43951%0.512SS..Hα-helixtrans-63-35.9173.5-82.5-173.1169.1178.70113.2F642 R650F642-K646 HydrophobicContact CD1-CD 4.43Å; F642-K646 HydrophobicContact CE1-CD 3.92Å; F642-K646 HydrophobicContact CE2-CD 4.38Å; F642-K646 HydrophobicContact CZ-CD 3.92Å; F642-K646 PolarHBondContact O-N 2.81Å; K646-R650 WeakPolarHBondContact O-CG 3.46Å; K646-R650 PolarHBondContact O-N 2.97Å; K646-R650 VanDerWaalsContact O-N 3.15Å
647A97.7Very high96.2Very high42 Ų42108.5 Ų108.535%0.34751%0.507SS..Hα-helixtrans-67.5-39.5173.500000112.2M643 R644 Q645 R651M643-A647 WeakPolarHBondContact O-CB 3.44Å; M643-A647 PolarHBondContact O-N 2.99Å; R644-A647 PolarHBondContact O-N 2.69Å; Q645-A647 VanDerWaalsContact C-N 3.34Å; Q645-A647 PolarHBondContact O-N 3.23Å; A647-R651 WeakPolarHBondContact O-CG 3.22Å; A647-R651 PolarHBondContact O-N 3.48Å; A647-R651 VanDerWaalsContact O-N 3.12Å
648Q97.4Very high96.6Very high101 Ų101109.3 Ų109.347%0.47251%0.509SS..Hα-helixtrans-67-41.8174.6-70.5178.313.500112.3R644 Q645 R651 R652R644-Q648 WeakPolarHBondContact O-CG 3.38Å; R644-Q648 PolarHBondContact O-N 3.3Å; Q645-Q648 PolarHBondContact O-N 3.46Å; Q648-R651 WeakPolarHBondContact O-CB 3.43Å; Q648-R651 PolarHBondContact O-N 3.03Å; Q648-R651 VanDerWaalsContact O-N 3.16Å; Q648-R652 PolarHBondContact O-N 3.36Å
649A97.2Very high96.9Very high57 Ų57108.7 Ų108.747%0.47151%0.507SS..Hα-helixtrans-59-48176.200000111.7Q645 R651 R652 Q653Q645-A649 WeakPolarHBondContact O-CB 3.28Å; Q645-A649 PolarHBondContact O-N 3.35Å; A649-R651 VanDerWaalsContact C-N 3.3Å; A649-R651 PolarHBondContact O-N 3.35Å; A649-R652 PolarHBondContact O-N 3.27Å; A649-R652 VanDerWaalsContact O-N 3.15Å; A649-Q653 PolarHBondContact O-N 3.03Å
650R97.9Very high97.1Very high173 Ų173106.6 Ų106.665%0.65350%0.501SS*.Hα-helixtrans-58.1-39.4173.6-71.3169.4179.1167.7-2112.6K646 A654K646-R650 WeakPolarHBondContact O-CG 3.46Å; K646-R650 PolarHBondContact O-N 2.97Å; K646-R650 VanDerWaalsContact O-N 3.15Å; R650-A654 VanDerWaalsContact O-CB 3.31Å; R650-A654 WeakPolarHBondContact O-CB 3.47Å; R650-A654 PolarHBondContact O-N 2.78Å
651R97.2Very high97.3Very high186 Ų186102.9 Ų102.970%0.70250%0.5SS*.Hα-helixtrans-66.1-39.9175.6-73.8174-179.2-168.60.4112.4A647 Q648 A649 L655A647-R651 WeakPolarHBondContact O-CG 3.22Å; A647-R651 PolarHBondContact O-N 3.48Å; A647-R651 VanDerWaalsContact O-N 3.12Å; Q648-R651 WeakPolarHBondContact O-CB 3.43Å; Q648-R651 PolarHBondContact O-N 3.03Å; Q648-R651 VanDerWaalsContact O-N 3.16Å; A649-R651 VanDerWaalsContact C-N 3.3Å; A649-R651 PolarHBondContact O-N 3.35Å; R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 3.32Å; R651-L655 VanDerWaalsContact O-N 3.16Å
652R97.8Very high97.5Very high183 Ų183104.8 Ų104.869%0.69151%0.512SS*.Hα-helixtrans-63.6-50175.2-71.2-179.4-179.5-173.41111Q648 A649 A654 L655 E656Q648-R652 PolarHBondContact O-N 3.36Å; A649-R652 PolarHBondContact O-N 3.27Å; A649-R652 VanDerWaalsContact O-N 3.15Å; R652-A654 PolarHBondContact O-N 3.02Å; R652-L655 WeakPolarHBondContact O-CB 3.49Å; R652-L655 PolarHBondContact O-N 2.83Å; R652-L655 VanDerWaalsContact O-N 3.07Å; R652-E656 PolarHBondContact O-N 2.98Å
653Q97.5Very high97.5Very high109 Ų109108.6 Ų108.651%0.50952%0.523SS..Hα-helixtrans-55.8-47.9175.4-178.4-178.3-13.700111.7A649 L655 E656 E657A649-Q653 PolarHBondContact O-N 3.03Å; Q653-L655 PolarHBondContact O-N 3.16Å; Q653-E656 PolarHBondContact O-N 2.9Å; Q653-E656 VanDerWaalsContact O-N 3.1Å; Q653-E657 HydrophobicContact CG-CG 4.33Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.22Å; Q653-E657 PolarHBondContact NE2-OE1 3.14Å; Q653-E657 WeakPolarHBondContact O-CB 3.4Å; Q653-E657 WeakPolarHBondContact O-CG 3.41Å; Q653-E657 PolarHBondContact O-N 3.18Å
654A97.8Very high97.5Very high41 Ų41106.5 Ų106.534%0.33952%0.517SS..Hα-helixtrans-67-17.4179.100000114.4R650 R652 K658R650-A654 VanDerWaalsContact O-CB 3.31Å; R650-A654 WeakPolarHBondContact O-CB 3.47Å; R650-A654 PolarHBondContact O-N 2.78Å; R652-A654 PolarHBondContact O-N 3.02Å; A654-K658 WeakPolarHBondContact O-CD 3.47Å; A654-K658 VanDerWaalsContact O-CG 3.24Å; A654-K658 WeakPolarHBondContact O-CG 3.49Å
655L97.9Very high97.6Very high116 Ų116109.9 Ų109.961%0.60753%0.529SS*.Hα-helixtrans-84.8-38.1170.2-71.9169.3000111.4R651 R652 Q653 K658 A659R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 3.32Å; R651-L655 VanDerWaalsContact O-N 3.16Å; R652-L655 WeakPolarHBondContact O-CB 3.49Å; R652-L655 PolarHBondContact O-N 2.83Å; R652-L655 VanDerWaalsContact O-N 3.07Å; Q653-L655 PolarHBondContact O-N 3.16Å; L655-K658 PolarHBondContact O-N 3.02Å; L655-A659 PolarHBondContact O-N 3.24Å
656E97.5Very high97.6Very high148 Ų148109.4 Ų109.469%0.69253%0.527SS*.Hα-helixtrans-66.2-42.3174.8-173.4169.6-168.700112R652 Q653 K658 A659 S660R652-E656 PolarHBondContact O-N 2.98Å; Q653-E656 PolarHBondContact O-N 2.9Å; Q653-E656 VanDerWaalsContact O-N 3.1Å; E656-K658 VanDerWaalsContact C-N 3.3Å; E656-K658 PolarHBondContact O-N 3.12Å; E656-A659 PolarHBondContact O-N 3.42Å; E656-A659 VanDerWaalsContact O-N 3.15Å; E656-S660 PolarHBondContact O-N 2.94Å; E656-S660 PolarHBondContact O-OG 3.12Å
657E97.4Very high97.6Very high103 Ų103109.4 Ų109.448%0.48153%0.531SS..Hα-helixtrans-62-35.3172.2-72.7172.1-179.400112.3Q653 S660 A661Q653-E657 HydrophobicContact CG-CG 4.33Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.22Å; Q653-E657 PolarHBondContact NE2-OE1 3.14Å; Q653-E657 WeakPolarHBondContact O-CB 3.4Å; Q653-E657 WeakPolarHBondContact O-CG 3.41Å; Q653-E657 PolarHBondContact O-N 3.18Å; E657-S660 WeakPolarHBondContact CA-OG 3.41Å; E657-S660 PolarHBondContact O-OG 3.28Å; E657-S660 VanDerWaalsContact O-OG 3.08Å; E657-A661 WeakPolarHBondContact O-CB 3.34Å; E657-A661 PolarHBondContact O-N 3.45Å
658K98.1Very high97.6Very high143 Ų143113 Ų11362%0.62254%0.536SS*.Hα-helixtrans-69.2-40.8171.7-77.4174.5-178.2-176.20111.8A654 L655 E656 A661 L662A654-K658 WeakPolarHBondContact O-CD 3.47Å; A654-K658 VanDerWaalsContact O-CG 3.24Å; A654-K658 WeakPolarHBondContact O-CG 3.49Å; L655-K658 PolarHBondContact O-N 3.02Å; E656-K658 VanDerWaalsContact C-N 3.3Å; E656-K658 PolarHBondContact O-N 3.12Å; K658-A661 PolarHBondContact O-N 2.87Å; K658-L662 WeakPolarHBondContact O-CB 3.22Å; K658-L662 VanDerWaalsContact O-CG 3.3Å; K658-L662 WeakPolarHBondContact O-CG 3.26Å; K658-L662 PolarHBondContact O-N 3.43Å
659A97.8Very high97.6Very high43 Ų43111.1 Ų111.136%0.35553%0.534SS..Hα-helixtrans-66.3-40.2177.400000112.2L655 E656 L662 R663L655-A659 PolarHBondContact O-N 3.24Å; E656-A659 PolarHBondContact O-N 3.42Å; E656-A659 VanDerWaalsContact O-N 3.15Å; A659-L662 PolarHBondContact O-N 3.27Å; A659-R663 WeakPolarHBondContact O-CG 3.17Å; A659-R663 PolarHBondContact O-N 3.38Å
660S97.8Very high97.6Very high58 Ų58115.6 Ų115.641%0.40654%0.539SS..Hα-helixtrans-68.4-42.5174.8680000111.5E656 E657 L662 R663 T664E656-S660 PolarHBondContact O-N 2.94Å; E656-S660 PolarHBondContact O-OG 3.12Å; E657-S660 WeakPolarHBondContact CA-OG 3.41Å; E657-S660 PolarHBondContact O-OG 3.28Å; E657-S660 VanDerWaalsContact O-OG 3.08Å; S660-L662 VanDerWaalsContact C-N 3.33Å; S660-L662 PolarHBondContact O-N 3.24Å; S660-R663 PolarHBondContact O-N 3.2Å; S660-T664 PolarHBondContact O-N 3.01Å; S660-T664 PolarHBondContact O-OG1 3.16Å
661A97.6Very high97.6Very high59 Ų59115.7 Ų115.749%0.48854%0.539SS..Hα-helixtrans-60.2-39.1173.900000113E657 K658 T664 R665E657-A661 WeakPolarHBondContact O-CB 3.34Å; E657-A661 PolarHBondContact O-N 3.45Å; K658-A661 PolarHBondContact O-N 2.87Å; A661-T664 PolarHBondContact O-N 2.97Å; A661-R665 WeakPolarHBondContact O-CB 3.4Å; A661-R665 PolarHBondContact O-N 2.83Å
662L98.1Very high97.6Very high113 Ų113111.2 Ų111.259%0.59253%0.529SS*.Hα-helixtrans-64.1-46.5173.6-74.8171.9000111.7K658 A659 S660 T664 R665 E666K658-L662 WeakPolarHBondContact O-CB 3.22Å; K658-L662 VanDerWaalsContact O-CG 3.3Å; K658-L662 WeakPolarHBondContact O-CG 3.26Å; K658-L662 PolarHBondContact O-N 3.43Å; A659-L662 PolarHBondContact O-N 3.27Å; S660-L662 VanDerWaalsContact C-N 3.33Å; S660-L662 PolarHBondContact O-N 3.24Å; L662-T664 VanDerWaalsContact C-N 3.33Å; L662-T664 PolarHBondContact O-N 3.26Å; L662-R665 WeakPolarHBondContact O-CB 3.31Å; L662-R665 PolarHBondContact O-N 3.01Å; L662-E666 PolarHBondContact O-N 2.91Å
663R97.4Very high97.6Very high178 Ų178109.2 Ų109.267%0.67253%0.527SS*.Hα-helixtrans-59-41.4173.6-71.6172.5178.3170.40.2112A659 S660 E666 L667A659-R663 WeakPolarHBondContact O-CG 3.17Å; A659-R663 PolarHBondContact O-N 3.38Å; S660-R663 PolarHBondContact O-N 3.2Å; R663-E666 PolarHBondContact O-N 3.39Å; R663-L667 WeakPolarHBondContact O-CB 3.4Å; R663-L667 WeakPolarHBondContact O-CG 3.3Å; R663-L667 PolarHBondContact O-N 2.88Å
664T97.1Very high97.5Very high68 Ų68107 Ų10742%0.41752%0.517SS..Hα-helixtrans-65-39.3175.8-55.70000112S660 A661 L662 R668S660-T664 PolarHBondContact O-N 3.01Å; S660-T664 PolarHBondContact O-OG1 3.16Å; A661-T664 PolarHBondContact O-N 2.97Å; L662-T664 VanDerWaalsContact C-N 3.33Å; L662-T664 PolarHBondContact O-N 3.26Å; T664-R668 WeakPolarHBondContact O-CG 3.07Å; T664-R668 PolarHBondContact O-N 3.46Å
665R97.9Very high97.5Very high186 Ų186107.6 Ų107.670%0.70252%0.516SS*.Hα-helixtrans-62.7-43.6172.8-179.2-179.9176.2-178.4-0.9111.3A661 L662 R668 S669A661-R665 WeakPolarHBondContact O-CB 3.4Å; A661-R665 PolarHBondContact O-N 2.83Å; L662-R665 WeakPolarHBondContact O-CB 3.31Å; L662-R665 PolarHBondContact O-N 3.01Å; R665-R668 WeakPolarHBondContact O-CB 3.47Å; R665-R668 PolarHBondContact O-N 2.94Å; R665-S669 PolarHBondContact O-N 3.41Å; R665-S669 PolarHBondContact O-OG 3.4Å
666E97.8Very high97.4Very high89 Ų89108.5 Ų108.542%0.41651%0.513SS..Hα-helixtrans-65.6-42.6179.3-161.3-163.2148.900112.2L662 R663 R668 S669 R670L662-E666 PolarHBondContact O-N 2.91Å; R663-E666 PolarHBondContact O-N 3.39Å; E666-R668 VanDerWaalsContact C-N 3.3Å; E666-R668 PolarHBondContact O-N 3.47Å; E666-S669 WeakPolarHBondContact CA-OG 3.32Å; E666-S669 PolarHBondContact O-N 3.3Å; E666-S669 PolarHBondContact O-OG 2.84Å; E666-R670 WeakPolarHBondContact O-CB 3.38Å; E666-R670 WeakPolarHBondContact O-CG 3.47Å; E666-R670 PolarHBondContact O-N 3.47Å; E666-R670 IonicContact OE1-CZ 3.84Å; E666-R670 IonicContact OE1-NE 2.73Å; E666-R670 PolarHBondContact OE1-NE 2.87Å; E666-R670 IonicContact OE1-NH2 3.08Å; E666-R670 PolarHBondContact OE1-NH2 3.2Å
667L98.1Very high97.2Very high101 Ų101106.9 Ų106.953%0.52950%0.5SS..Hα-helixtrans-62.2-36.9173.4-72.4170.8000111.9R663 R671R663-L667 WeakPolarHBondContact O-CB 3.4Å; R663-L667 WeakPolarHBondContact O-CG 3.3Å; R663-L667 PolarHBondContact O-N 2.88Å; L667-R671 WeakPolarHBondContact O-CB 3.39Å; L667-R671 VanDerWaalsContact O-CG 3.27Å; L667-R671 WeakPolarHBondContact O-CG 3.24Å; L667-R671 PolarHBondContact O-N 3.1Å
668R97.5Very high97Very high117 Ų117107 Ų10744%0.44250%0.5SS..Hα-helixtrans-65.6-43.2172.1-76175.3177.4158.6-0.9112.1L298 T664 R665 E666 R671 L672L298-R668 PolarHBondContact O-NH2 3.48Å; T664-R668 WeakPolarHBondContact O-CG 3.07Å; T664-R668 PolarHBondContact O-N 3.46Å; R665-R668 WeakPolarHBondContact O-CB 3.47Å; R665-R668 PolarHBondContact O-N 2.94Å; E666-R668 VanDerWaalsContact C-N 3.3Å; E666-R668 PolarHBondContact O-N 3.47Å; R668-R671 PolarHBondContact O-N 2.96Å; R668-L672 WeakPolarHBondContact O-CB 3.39Å; R668-L672 PolarHBondContact O-N 3.26Å
669S96.8Very high96.6Very high62 Ų62105.3 Ų105.343%0.43450%0.495SS..Hα-helixtrans-68.4-38.1177.251.80000112.8R665 E666 L672 Q673R665-S669 PolarHBondContact O-N 3.41Å; R665-S669 PolarHBondContact O-OG 3.4Å; E666-S669 WeakPolarHBondContact CA-OG 3.32Å; E666-S669 PolarHBondContact O-N 3.3Å; E666-S669 PolarHBondContact O-OG 2.84Å; S669-L672 PolarHBondContact O-N 3.33Å; S669-Q673 WeakPolarHBondContact O-CB 3.45Å; S669-Q673 PolarHBondContact O-N 3.09Å
670R97.4Very high96.1Very high152 Ų152111.8 Ų111.857%0.57451%0.51SS*.Hα-helixtrans-60.8-46172.2-72173.4-179.4-127.97.8111.2E666 L672 Q673 E674E666-R670 WeakPolarHBondContact O-CB 3.38Å; E666-R670 WeakPolarHBondContact O-CG 3.47Å; E666-R670 PolarHBondContact O-N 3.47Å; E666-R670 IonicContact OE1-CZ 3.84Å; E666-R670 IonicContact OE1-NE 2.73Å; E666-R670 PolarHBondContact OE1-NE 2.87Å; E666-R670 IonicContact OE1-NH2 3.08Å; E666-R670 PolarHBondContact OE1-NH2 3.2Å; R670-L672 PolarHBondContact O-N 3.49Å; R670-Q673 PolarHBondContact O-N 3.35Å; R670-E674 WeakPolarHBondContact O-CB 3.49Å; R670-E674 PolarHBondContact O-N 2.74Å
671R97.9Very high95.6Very high174 Ų174113.5 Ų113.566%0.65751%0.512SS*.Hα-helixtrans-62.2-38.6174.4-75.7175.3179.3-168.5-1.1113L667 R668 E674 V675L667-R671 WeakPolarHBondContact O-CB 3.39Å; L667-R671 VanDerWaalsContact O-CG 3.27Å; L667-R671 WeakPolarHBondContact O-CG 3.24Å; L667-R671 PolarHBondContact O-N 3.1Å; R668-R671 PolarHBondContact O-N 2.96Å; R671-E674 PolarHBondContact O-N 3.38Å; R671-V675 WeakPolarHBondContact O-CG2 3.34Å; R671-V675 PolarHBondContact O-N 2.72Å
672L97.8Very high94.7Very high92 Ų92113.6 Ų113.648%0.48251%0.512SS..Hα-helixtrans-68.7-41.9177.2-179.760.9000111.8R668 S669 R670 E674 V675 Y676R668-L672 WeakPolarHBondContact O-CB 3.39Å; R668-L672 PolarHBondContact O-N 3.26Å; S669-L672 PolarHBondContact O-N 3.33Å; R670-L672 PolarHBondContact O-N 3.49Å; L672-E674 VanDerWaalsContact C-N 3.3Å; L672-E674 PolarHBondContact O-N 2.84Å; L672-V675 PolarHBondContact O-N 2.93Å; L672-Y676 HydrophobicContact CD1-CD2 4.18Å; L672-Y676 HydrophobicContact CD1-CE2 3.65Å; L672-Y676 HydrophobicContact CD2-CE2 4.12Å; L672-Y676 HydrophobicContact CG-CD2 4.01Å; L672-Y676 HydrophobicContact CG-CE2 3.6Å; L672-Y676 WeakPolarHBondContact O-CD2 3.27Å; L672-Y676 PolarHBondContact O-N 2.85Å
673Q96.1Very high93.6Very high142 Ų142112.5 Ų112.566%0.66451%0.511SS*.Hα-helixtrans-61.8-39.3173.2-173.3176.414.600111.6S669 R670 Y676 R677S669-Q673 WeakPolarHBondContact O-CB 3.45Å; S669-Q673 PolarHBondContact O-N 3.09Å; R670-Q673 PolarHBondContact O-N 3.35Å; Q673-Y676 PolarHBondContact O-N 3.13Å; Q673-R677 WeakPolarHBondContact O-CB 3.22Å; Q673-R677 PolarHBondContact O-N 3.14Å
674E96.4Very high92.1Very high63 Ų63110.6 Ų110.629%0.29451%0.513SS..Hα-helixtrans-65.1-41173.9-178.959.5-165.300112.2R670 R671 L672 Y676 R677 Q678R670-E674 WeakPolarHBondContact O-CB 3.49Å; R670-E674 PolarHBondContact O-N 2.74Å; R671-E674 PolarHBondContact O-N 3.38Å; L672-E674 VanDerWaalsContact C-N 3.3Å; L672-E674 PolarHBondContact O-N 2.84Å; E674-Y676 PolarHBondContact O-N 3.36Å; E674-R677 VanDerWaalsContact CD-NH2 3.3Å; E674-R677 WeakPolarHBondContact O-CB 3.4Å; E674-R677 PolarHBondContact O-N 2.96Å; E674-R677 IonicContact OE1-CZ 3.37Å; E674-R677 IonicContact OE1-NE 2.79Å; E674-R677 IonicContact OE1-NH2 3.04Å; E674-R677 PolarHBondContact OE1-NH2 3.07Å; E674-R677 IonicContact OE2-CZ 2.61Å; E674-R677 IonicContact OE2-NE 3.59Å; E674-R677 PolarHBondContact OE2-NE 3.45Å; E674-R677 IonicContact OE2-NH2 3.16Å; E674-R677 PolarHBondContact OE2-NH2 3.49Å; E674-R677 VanDerWaalsContact OE2-NH2 3.08Å; E674-Q678 WeakPolarHBondContact O-CB 3.47Å; E674-Q678 WeakPolarHBondContact O-CG 3.4Å; E674-Q678 PolarHBondContact O-N 2.86Å; E674-Q678 PolarHBondContact OE1-NE2 3.3Å
675V97Very high90.2Very high53 Ų53110.5 Ų110.532%0.32153%0.525SS..Hα-helixtrans-61.9-42.3172.2167.90000111.3R671 L672 R677 Q678 Q679R671-V675 WeakPolarHBondContact O-CG2 3.34Å; R671-V675 PolarHBondContact O-N 2.72Å; L672-V675 PolarHBondContact O-N 2.93Å; V675-R677 VanDerWaalsContact C-N 3.32Å; V675-R677 PolarHBondContact O-N 2.88Å; V675-Q678 PolarHBondContact O-N 3.19Å; V675-Q679 HydrophobicContact CG1-CG 4.43Å; V675-Q679 WeakPolarHBondContact O-CB 3.43Å; V675-Q679 VanDerWaalsContact O-CG 3.26Å; V675-Q679 WeakPolarHBondContact O-CG 3.46Å; V675-Q679 PolarHBondContact O-N 2.81Å
676Y95.6Very high87.8Confident135 Ų135111.4 Ų111.453%0.52953%0.529SS..Hα-helixtrans-66.1-33.3174.4-73-54.4000112.9L672 Q673 E674 R680L672-Y676 HydrophobicContact CD1-CD2 4.18Å; L672-Y676 HydrophobicContact CD1-CE2 3.65Å; L672-Y676 HydrophobicContact CD2-CE2 4.12Å; L672-Y676 HydrophobicContact CG-CD2 4.01Å; L672-Y676 HydrophobicContact CG-CE2 3.6Å; L672-Y676 WeakPolarHBondContact O-CD2 3.27Å; L672-Y676 PolarHBondContact O-N 2.85Å; Q673-Y676 PolarHBondContact O-N 3.13Å; E674-Y676 PolarHBondContact O-N 3.36Å; Y676-R680 WeakPolarHBondContact O-CG 3.34Å; Y676-R680 PolarHBondContact O-N 2.96Å; Y676-R680 VanDerWaalsContact O-N 3.1Å
677R94.9Very high85.2Confident114 Ų114111.8 Ų111.843%0.4355%0.547SS..Hα-helixtrans-64.4-52172.3-176.9174.277.795.4-4.4110.8Q673 E674 V675 Q679 R680 E681Q673-R677 WeakPolarHBondContact O-CB 3.22Å; Q673-R677 PolarHBondContact O-N 3.14Å; E674-R677 VanDerWaalsContact CD-NH2 3.3Å; E674-R677 WeakPolarHBondContact O-CB 3.4Å; E674-R677 PolarHBondContact O-N 2.96Å; E674-R677 IonicContact OE1-CZ 3.37Å; E674-R677 IonicContact OE1-NE 2.79Å; E674-R677 IonicContact OE1-NH2 3.04Å; E674-R677 PolarHBondContact OE1-NH2 3.07Å; E674-R677 IonicContact OE2-CZ 2.61Å; E674-R677 IonicContact OE2-NE 3.59Å; E674-R677 PolarHBondContact OE2-NE 3.45Å; E674-R677 IonicContact OE2-NH2 3.16Å; E674-R677 PolarHBondContact OE2-NH2 3.49Å; E674-R677 VanDerWaalsContact OE2-NH2 3.08Å; V675-R677 VanDerWaalsContact C-N 3.32Å; V675-R677 PolarHBondContact O-N 2.88Å; R677-Q679 VanDerWaalsContact C-N 3.29Å; R677-Q679 PolarHBondContact O-N 2.91Å; R677-R680 WeakPolarHBondContact O-CB 3.48Å; R677-R680 PolarHBondContact O-N 3.39Å; R677-R680 VanDerWaalsContact O-N 3.09Å; R677-E681 WeakPolarHBondContact CD-OE1 3.13Å; R677-E681 HydrophobicContact CG-CG 4.43Å; R677-E681 WeakPolarHBondContact CG-OE1 3.39Å; R677-E681 IonicContact CZ-OE1 3.89Å; R677-E681 IonicContact CZ-OE2 3.5Å; R677-E681 IonicContact NE-OE1 3.61Å; R677-E681 IonicContact NH1-OE1 2.79Å; R677-E681 PolarHBondContact NH1-OE1 3.48Å; R677-E681 IonicContact NH1-OE2 2.74Å; R677-E681 PolarHBondContact NH1-OE2 3.39Å; R677-E681 WeakPolarHBondContact O-CG 3.37Å; R677-E681 PolarHBondContact O-N 2.95Å
678Q92.3Very high82.2Confident104 Ų104111.8 Ų111.849%0.48655%0.551SS.*Hα-helixtrans-62.9-32.7177.9-69.1176.410.500112.7E674 V675 A682E674-Q678 WeakPolarHBondContact O-CB 3.47Å; E674-Q678 WeakPolarHBondContact O-CG 3.4Å; E674-Q678 PolarHBondContact O-N 2.86Å; E674-Q678 PolarHBondContact OE1-NE2 3.3Å; V675-Q678 PolarHBondContact O-N 3.19Å; Q678-A682 WeakPolarHBondContact O-CB 3.32Å; Q678-A682 PolarHBondContact O-N 2.89Å
679Q89.6Confident79.2Confident108 Ų108111.1 Ų111.151%0.50556%0.561SS.*Hα-helixtrans-65.3-43.1171.5-78173.7-500112.1V675 R677 V683V675-Q679 HydrophobicContact CG1-CG 4.43Å; V675-Q679 WeakPolarHBondContact O-CB 3.43Å; V675-Q679 VanDerWaalsContact O-CG 3.26Å; V675-Q679 WeakPolarHBondContact O-CG 3.46Å; V675-Q679 PolarHBondContact O-N 2.81Å; R677-Q679 VanDerWaalsContact C-N 3.29Å; R677-Q679 PolarHBondContact O-N 2.91Å; Q679-V683 WeakPolarHBondContact O-CB 3.34Å; Q679-V683 VanDerWaalsContact O-CG2 3.26Å; Q679-V683 WeakPolarHBondContact O-CG2 3.47Å; Q679-V683 PolarHBondContact O-N 2.99Å
680R86.4Confident76.4Confident180 Ų180115.2 Ų115.268%0.67958%0.584SS**Hα-helixtrans-64.2-45.8173.8-71.6174.764.2-148.7-2.9111.4Y676 R677 A682 V683 L684Y676-R680 WeakPolarHBondContact O-CG 3.34Å; Y676-R680 PolarHBondContact O-N 2.96Å; Y676-R680 VanDerWaalsContact O-N 3.1Å; R677-R680 WeakPolarHBondContact O-CB 3.48Å; R677-R680 PolarHBondContact O-N 3.39Å; R677-R680 VanDerWaalsContact O-N 3.09Å; R680-A682 PolarHBondContact O-N 3.47Å; R680-V683 PolarHBondContact O-N 3.3Å; R680-L684 WeakPolarHBondContact O-CG 3.5Å; R680-L684 PolarHBondContact O-N 3.42Å
681E88.3Confident73.1Confident93 Ų93113.3 Ų113.344%0.43559%0.589SS.*Hα-helixtrans-63.6-38178.2-71.4168.4-174.800111.6R677 L684 G685R677-E681 WeakPolarHBondContact CD-OE1 3.13Å; R677-E681 HydrophobicContact CG-CG 4.43Å; R677-E681 WeakPolarHBondContact CG-OE1 3.39Å; R677-E681 IonicContact CZ-OE1 3.89Å; R677-E681 IonicContact CZ-OE2 3.5Å; R677-E681 IonicContact NE-OE1 3.61Å; R677-E681 IonicContact NH1-OE1 2.79Å; R677-E681 PolarHBondContact NH1-OE1 3.48Å; R677-E681 IonicContact NH1-OE2 2.74Å; R677-E681 PolarHBondContact NH1-OE2 3.39Å; R677-E681 WeakPolarHBondContact O-CG 3.37Å; R677-E681 PolarHBondContact O-N 2.95Å; E681-L684 PolarHBondContact O-N 3.19Å; E681-G685 WeakPolarHBondContact O-CA 3.38Å; E681-G685 PolarHBondContact O-N 2.93Å
682A79.3Confident69.9Low61 Ų61109.3 Ų109.350%0.50459%0.588SS.*Hα-helixtrans-73.2-29.7175.600000113.9Q678 R680 L684 R686Q678-A682 WeakPolarHBondContact O-CB 3.32Å; Q678-A682 PolarHBondContact O-N 2.89Å; R680-A682 PolarHBondContact O-N 3.47Å; A682-L684 VanDerWaalsContact C-N 3.33Å; A682-R686 PolarHBondContact O-N 3.33Å; A682-R686 VanDerWaalsContact O-N 3.13Å
683V75.1Confident67Low91 Ų91115.4 Ų115.455%0.55260%0.604SS**Hα-helixtrans-72.8-26.9172.8166.80000111.9Q679 R680Q679-V683 WeakPolarHBondContact O-CB 3.34Å; Q679-V683 VanDerWaalsContact O-CG2 3.26Å; Q679-V683 WeakPolarHBondContact O-CG2 3.47Å; Q679-V683 PolarHBondContact O-N 2.99Å; R680-V683 PolarHBondContact O-N 3.3Å
684L64.7Low63.9Low138 Ų138114.2 Ų114.272%0.72361%0.607SS**Hα-helixtrans-90.3-30.7174.5-66.3168.7000113.1R680 E681 A682R680-L684 WeakPolarHBondContact O-CG 3.5Å; R680-L684 PolarHBondContact O-N 3.42Å; E681-L684 PolarHBondContact O-N 3.19Å; A682-L684 VanDerWaalsContact C-N 3.33Å
685G57.5Low60.8Low65 Ų65117 Ų11767%0.6763%0.628SS**Hα-helixtrans-91-10.7-175.500000114.9E681 A687E681-G685 WeakPolarHBondContact O-CA 3.38Å; E681-G685 PolarHBondContact O-N 2.93Å; G685-A687 PolarHBondContact O-N 3.4Å
686R48.2Very low57.8Low206 Ų206120.1 Ų120.178%0.77765%0.649SS**SBendtrans-68120.4155.1-87.9-171.6167.4-122.7-3.3107.6A682 V688A682-R686 PolarHBondContact O-N 3.33Å; A682-R686 VanDerWaalsContact O-N 3.13Å; R686-V688 PolarHBondContact O-N 2.91Å
687A42.6Very low54.7Low97 Ų97116.4 Ų116.480%0.80265%0.652SS**  trans-50.6113.7166.500000108.5G685 P689G685-A687 PolarHBondContact O-N 3.4Å; A687-P689 WeakPolarHBondContact O-CD 3.39Å
688V34.9Very low51.6Low101 Ų101118.4 Ų118.461%0.61267%0.67SS**  trans-67.3114.7-177.5171.80000107.3R686 V690R686-V688 PolarHBondContact O-N 2.91Å; V688-V690 PolarHBondContact O-N 2.9Å
689P35.2Very low48.5Very low102 Ų102118.1 Ų118.166%0.66268%0.675SS**  trans-59.3130.6160.6-10.627000105.4A687 V691A687-P689 WeakPolarHBondContact O-CD 3.39Å; P689-V691 PolarHBondContact O-N 2.94Å
690V36.8Very low45.7Very low148 Ų148118.3 Ų118.390%0.89768%0.684SS**  trans-75.263.2-175.7-171.80000110.4V688V688-V690 PolarHBondContact O-N 2.9Å
691V29.2Very low42.9Very low113 Ų113116.9 Ų116.969%0.68568%0.683SS**  trans-88.6111.6158.4-179.90000104.3P689 R693P689-V691 PolarHBondContact O-N 2.94Å; V691-R693 PolarHBondContact O-N 3.26Å
692S30.1Very low40.3Very low90 Ų90117.9 Ų117.963%0.62970%0.695SS**  trans-49.1129.517735.80000109.8T694S692-T694 PolarHBondContact O-N 3.04Å; S692-T694 PolarHBondContact O-OG1 2.99Å
693R35.9Very low37.9Very low220 Ų220120.6 Ų120.683%0.8371%0.707SS**  trans-70.975.5173.3-86.4-175.3158-161.4-3.6109.5V691 T695V691-R693 PolarHBondContact O-N 3.26Å; R693-T695 PolarHBondContact O-N 2.85Å
694T32.5Very low35.6Very low117 Ų117121.3 Ų121.372%0.71872%0.716SS**  trans-63.886.8159.538.40000108S692S692-T694 PolarHBondContact O-N 3.04Å; S692-T694 PolarHBondContact O-OG1 2.99Å
695T31.6Very low34Very low120 Ų120120.2 Ų120.274%0.73672%0.72SS**  trans-44.1124.4157.4-55.40000106.9R693 G697R693-T695 PolarHBondContact O-N 2.85Å; T695-G697 VanDerWaalsContact C-N 3.32Å; T695-G697 PolarHBondContact O-N 3.22Å
696P33.6Very low32.7Very low119 Ų119121.4 Ų121.477%0.77372%0.723SS**  trans-64.399.517925.2-32.6000107.6I698P696-I698 PolarHBondContact O-N 3.42Å
697G29.5Very low31.8Very low57 Ų57121 Ų12159%0.58873%0.73SS**  trans-56.4130.6179.900000108.6T695 V699T695-G697 VanDerWaalsContact C-N 3.32Å; T695-G697 PolarHBondContact O-N 3.22Å; G697-V699 PolarHBondContact O-N 3.42Å
698I30.7Very low31.2Very low157 Ų157121.9 Ų121.981%0.80573%0.731SS**  trans-63.7102.9175.7-64.1165000106.4P696 T700P696-I698 PolarHBondContact O-N 3.42Å; I698-T700 VanDerWaalsContact C-N 3.29Å; I698-T700 HydrophobicContact CG2-CG2 4.14Å; I698-T700 PolarHBondContact O-N 2.92Å
699V26.8Very low31.1Very low97 Ų97121.1 Ų121.159%0.58874%0.744SS**  trans-7193176.5-171.60000107.1G697 F701G697-V699 PolarHBondContact O-N 3.42Å; V699-F701 HydrophobicContact CB-CD2 4.13Å; V699-F701 HydrophobicContact CB-CE2 3.73Å; V699-F701 HydrophobicContact CB-CZ 4.05Å; V699-F701 HydrophobicContact CG1-CD1 3.95Å; V699-F701 HydrophobicContact CG1-CD2 3.82Å; V699-F701 HydrophobicContact CG1-CE1 3.65Å; V699-F701 HydrophobicContact CG1-CE2 3.52Å; V699-F701 HydrophobicContact CG1-CG 4.04Å; V699-F701 HydrophobicContact CG1-CZ 3.44Å; V699-F701 VanDerWaalsContact CG1-CZ 3.44Å; V699-F701 VanDerWaalsContact O-CD2 3.27Å; V699-F701 WeakPolarHBondContact O-CD2 3.33Å; V699-F701 PolarHBondContact O-N 2.79Å
700T30.2Very low30.7Very low113 Ų113119.4 Ų119.469%0.69374%0.744SS**  trans-72.478.2173.251.80000108.7I698 V702I698-T700 VanDerWaalsContact C-N 3.29Å; I698-T700 HydrophobicContact CG2-CG2 4.14Å; I698-T700 PolarHBondContact O-N 2.92Å; T700-V702 PolarHBondContact O-N 3.08Å
701F28.8Very low30.5Very low150 Ų150120.6 Ų120.666%0.65875%0.745SS**  trans-60.5100.7169.5-64.9-78.2000108.9V699 P703 W724V699-F701 HydrophobicContact CB-CD2 4.13Å; V699-F701 HydrophobicContact CB-CE2 3.73Å; V699-F701 HydrophobicContact CB-CZ 4.05Å; V699-F701 HydrophobicContact CG1-CD1 3.95Å; V699-F701 HydrophobicContact CG1-CD2 3.82Å; V699-F701 HydrophobicContact CG1-CE1 3.65Å; V699-F701 HydrophobicContact CG1-CE2 3.52Å; V699-F701 HydrophobicContact CG1-CG 4.04Å; V699-F701 HydrophobicContact CG1-CZ 3.44Å; V699-F701 VanDerWaalsContact CG1-CZ 3.44Å; V699-F701 VanDerWaalsContact O-CD2 3.27Å; V699-F701 WeakPolarHBondContact O-CD2 3.33Å; V699-F701 PolarHBondContact O-N 2.79Å; F701-P703 WeakPolarHBondContact O-CD 3.31Å; F701-W724 HydrophobicContact CD1-CZ3 4.27Å; F701-W724 HydrophobicContact CE1-CE3 4.46Å; F701-W724 AromaticContact CE1-CZ3 3.76Å; F701-W724 HydrophobicContact CE1-CZ3 3.76Å
702V32.4Very low30.7Very low114 Ų114123.4 Ų123.469%0.69175%0.75SS**  trans-96.2105.8168178.60000106.8T700 S704T700-V702 PolarHBondContact O-N 3.08Å; V702-S704 PolarHBondContact O-N 2.73Å; V702-S704 VanDerWaalsContact O-N 3.09Å
703P29Very low30.6Very low118 Ų118123.8 Ų123.877%0.76676%0.759SS**  trans-72.8102.217429.1-32.6000109.1F701 S705F701-P703 WeakPolarHBondContact O-CD 3.31Å; P703-S705 VanDerWaalsContact C-N 3.34Å; P703-S705 PolarHBondContact O-N 2.79Å
704S27.3Very low30.4Very low106 Ų106118.9 Ų118.974%0.74176%0.758SS**  trans-70.887.9172.4-65.90000110.3V702 A706V702-S704 PolarHBondContact O-N 2.73Å; V702-S704 VanDerWaalsContact O-N 3.09Å; S704-A706 PolarHBondContact O-N 3.31Å
705S30.3Very low30.2Very low115 Ų115117.2 Ų117.280%0.80476%0.764SS**  trans-7471.7172.760.80000111.1P703 Q707P703-S705 VanDerWaalsContact C-N 3.34Å; P703-S705 PolarHBondContact O-N 2.79Å; S705-Q707 PolarHBondContact O-N 2.72Å
706A30.3Very low29.9Very low89 Ų89116.4 Ų116.474%0.73676%0.764SS**  trans-76.3102.6170.100000109.3S704 S708S704-A706 PolarHBondContact O-N 3.31Å; A706-S708 PolarHBondContact O-N 2.99Å; A706-S708 VanDerWaalsContact O-N 3.15Å
707Q31.2Very low30.2Very low197 Ų197119.2 Ų119.292%0.92177%0.772SS**  trans-72.7100.6165.2-76.6-177.4-4800108.8S705 G709S705-Q707 PolarHBondContact O-N 2.72Å; Q707-G709 PolarHBondContact O-N 3.29Å; Q707-G709 VanDerWaalsContact O-N 3.17Å
708S29.5Very low30.1Very low116 Ų116124 Ų12481%0.81178%0.778SS**  trans-75.395.5169.553.10000110A706 G710A706-S708 PolarHBondContact O-N 2.99Å; A706-S708 VanDerWaalsContact O-N 3.15Å; S708-G710 PolarHBondContact O-N 3.12Å
709G31.5Very low29.9Very low86 Ų86120.8 Ų120.889%0.88777%0.77SS**  trans-76.3106.316300000109.6Q707Q707-G709 PolarHBondContact O-N 3.29Å; Q707-G709 VanDerWaalsContact O-N 3.17Å
710G27.1Very low30Very low65 Ų65122.2 Ų122.267%0.6778%0.781SS**  trans-176.5130.6-179.300000110.8S708S708-G710 PolarHBondContact O-N 3.12Å
711L32.3Very low29.8Very low174 Ų174122.4 Ų122.491%0.91178%0.782SS**  trans-43.8152.2-161.9-80.567.5000118.5
712E33.4Very low29.9Very low171 Ų171121.3 Ų121.380%0.79978%0.782SS**  trans-40.6132.4161.1-79.7-70.4157.900114.6
713A29.1Very low29.6Very low99 Ų99124.6 Ų124.682%0.81879%0.79SS**  trans-145.4108.1153.100000108.1
714S31.1Very low29.5Very low116 Ų116127.8 Ų127.881%0.81179%0.787SS**  trans-80.3129.6-171.1-40.70000111.5
715G29.4Very low29.6Very low82 Ų82127.8 Ų127.885%0.84579%0.787SS**  trans165.221.2175.600000122.4
716S24.6Very low29.4Very low104 Ų104131 Ų13173%0.72779%0.787SS**  trans-156.6147158.8-168.10000112
717L40.3Very low29.4Very low178 Ų178133 Ų13393%0.93279%0.789SS**  trans-109.666.6176-153.9173.9000108.8
718E26.3Very low29.3Very low157 Ų157129 Ų12973%0.73478%0.779SS**  trans-126.3128.6-179.2-166.5160.2-150.700110.2
719S26.4Very low29.5Very low89 Ų89129.2 Ų129.262%0.62278%0.78SS**  trans-71.6147.6-178.963.50000111.3V721S719-V721 PolarHBondContact O-N 3.16Å
720P29.2Very low29.3Very low128 Ų128128.5 Ų128.583%0.83177%0.773SS**  trans-65.597176.527.2-34.1000110.6L722P720-L722 PolarHBondContact O-N 3.16Å
721V26.1Very low29.3Very low116 Ų116133.6 Ų133.670%0.70378%0.781SS**  trans-59.5122.8172.5176.10000108.3S719 E723S719-V721 PolarHBondContact O-N 3.16Å; V721-E723 VanDerWaalsContact C-N 3.34Å; V721-E723 PolarHBondContact O-N 2.98Å
722L30.1Very low29.3Very low128 Ų128131.7 Ų131.767%0.6778%0.776SS**  trans-70.988178.3-80.2159.5000110.1P720 W724P720-L722 PolarHBondContact O-N 3.16Å; L722-W724 HydrophobicContact CB-CZ2 4.15Å; L722-W724 HydrophobicContact CD1-CZ2 4.11Å; L722-W724 HydrophobicContact CD2-CZ2 4.42Å; L722-W724 HydrophobicContact CG-CZ2 4.48Å; L722-W724 PolarHBondContact O-N 3.07Å; L722-W724 PolarHBondContact O-NE1 3.36Å
723E26.1Very low29.3Very low183 Ų183131 Ų13186%0.85578%0.777SS**  trans-77.5101.2175.1-166.8176-16700110.9V721 S725V721-E723 VanDerWaalsContact C-N 3.34Å; V721-E723 PolarHBondContact O-N 2.98Å; E723-S725 PolarHBondContact O-N 3.1Å; E723-S725 VanDerWaalsContact O-N 3.16Å
724W27.9Very low29.4Very low184 Ų184129.2 Ų129.270%0.69777%0.769SS**  trans-8193.7-174.5-60.395.5000112.4F701 L722 K726F701-W724 HydrophobicContact CD1-CZ3 4.27Å; F701-W724 HydrophobicContact CE1-CE3 4.46Å; F701-W724 AromaticContact CE1-CZ3 3.76Å; F701-W724 HydrophobicContact CE1-CZ3 3.76Å; L722-W724 HydrophobicContact CB-CZ2 4.15Å; L722-W724 HydrophobicContact CD1-CZ2 4.11Å; L722-W724 HydrophobicContact CD2-CZ2 4.42Å; L722-W724 HydrophobicContact CG-CZ2 4.48Å; L722-W724 PolarHBondContact O-N 3.07Å; L722-W724 PolarHBondContact O-NE1 3.36Å; W724-K726 PolarHBondContact O-N 3.2Å; W724-K726 VanDerWaalsContact O-N 3.1Å
725S29.1Very low29.6Very low107 Ų107128 Ų12875%0.74878%0.775SS**  trans-67.1106.5174.948.70000112.7E723 V727E723-S725 PolarHBondContact O-N 3.1Å; E723-S725 VanDerWaalsContact O-N 3.16Å; S725-V727 PolarHBondContact O-N 3.15Å; S725-V727 VanDerWaalsContact O-N 3.08Å
726K26.7Very low29.9Very low182 Ų182133 Ų13379%0.79178%0.776SS**  trans-78.785.6-177.8-176.1-171173.1-175.30112.1W724 T728W724-K726 PolarHBondContact O-N 3.2Å; W724-K726 VanDerWaalsContact O-N 3.1Å; K726-T728 HydrophobicContact CG-CG2 4.39Å; K726-T728 PolarHBondContact O-N 2.91Å; K726-T728 VanDerWaalsContact O-N 3.1Å
727V29.3Very low30Very low131 Ų131137.1 Ų137.179%0.79478%0.784SS**  trans-78.890176.5-174.20000111.5S725S725-V727 PolarHBondContact O-N 3.15Å; S725-V727 VanDerWaalsContact O-N 3.08Å
728T30.2Very low29.5Very low114 Ų114132 Ų13270%0.69977%0.767SS**  trans-80.1114.7169.540.70000111.4K726K726-T728 HydrophobicContact CG-CG2 4.39Å; K726-T728 PolarHBondContact O-N 2.91Å; K726-T728 VanDerWaalsContact O-N 3.1Å
729S32.1Very low29.8Very low119 Ų119131.1 Ų131.183%0.83278%0.775SS**  trans-97.6111.6-179.8-174.70000112.4
730G28.8Very low30.1Very low71 Ų71130.4 Ų130.473%0.73278%0.782SS**  trans71.9111.5153.300000118.3
731M26.7Very low30.2Very low173 Ų173128.1 Ų128.185%0.85277%0.769SS**  trans-78.2143.2154.7-75.6171.155.500110.1L733M731-L733 HydrophobicContact CE-CD1 3.91Å
732V31.9Very low30.4Very low133 Ų133131.3 Ų131.381%0.80677%0.774SS**  trans-113.1112.8165.2177.80000108.2
733L34.4Very low30.5Very low156 Ų156129.7 Ų129.782%0.81777%0.772SS**  trans-82.6118.5161-91.681.1000108M731M731-L733 HydrophobicContact CE-CD1 3.91Å
734G30.2Very low30.5Very low63 Ų63127.7 Ų127.765%0.64977%0.766SS**  trans162.994.6178.400000112.2Q736G734-Q736 VanDerWaalsContact C-N 3.29Å; G734-Q736 PolarHBondContact O-N 3.31Å
735G36.4Very low30.7Very low91 Ų91123.7 Ų123.794%0.93877%0.765SS**  trans-77.961.7-175.200000115
736Q34.2Very low30.7Very low185 Ų185126 Ų12686%0.86477%0.769SS**  trans-150.681.4169.2-163.6165101.400112.3G734 A738G734-Q736 VanDerWaalsContact C-N 3.29Å; G734-Q736 PolarHBondContact O-N 3.31Å; Q736-A738 PolarHBondContact O-N 3.05Å; Q736-A738 VanDerWaalsContact O-N 3.16Å
737E28Very low30.9Very low192 Ų192124.7 Ų124.790%0.89777%0.77SS**  trans-77.996.6179.8-170176.4-155.100111.4
738A29.2Very low30.8Very low70 Ų70128.1 Ų128.158%0.57977%0.769SS**  trans-76.9121.5172.300000110.6Q736 G740Q736-A738 PolarHBondContact O-N 3.05Å; Q736-A738 VanDerWaalsContact O-N 3.16Å; A738-G740 PolarHBondContact O-N 3.21Å
739P33.7Very low30.7Very low139 Ų139126.8 Ų126.890%0.90377%0.769SS**THydrogen-bonded Turntrans-77.194.5-171.830-35.5000112.3
740G32.3Very low30.3Very low73 Ų73129.3 Ų129.375%0.75376%0.761SS**THydrogen-bonded Turntrans157.3-4.216700000118.6A738A738-G740 PolarHBondContact O-N 3.21Å
741S31.5Very low30.2Very low81 Ų81132.8 Ų132.857%0.56676%0.762SS**  trans-73.8141.5179.550.50000112.5
742F28.6Very low30.2Very low183 Ų183132 Ų13280%0.80376%0.756SS**  trans-140.298.3-179.5-147.1-77.8000110.2L744F742-L744 HydrophobicContact CD1-CD2 4.27Å; F742-L744 HydrophobicContact CE1-CD2 4.33Å; F742-L744 PolarHBondContact O-N 2.67Å
743C32.3Very low29.9Very low93 Ų93130.2 Ų130.263%0.62876%0.756SS**  trans-82.3116.3-176.5-62.40000111.5
744L27.6Very low29.8Very low141 Ų141131.6 Ų131.674%0.73876%0.758SS**  trans-97.487.5175.7-70.9176.4000111.4F742 L746F742-L744 HydrophobicContact CD1-CD2 4.27Å; F742-L744 HydrophobicContact CE1-CD2 4.33Å; F742-L744 PolarHBondContact O-N 2.67Å; L744-L746 PolarHBondContact O-N 2.85Å
745C32.3Very low29.8Very low100 Ų100133.6 Ų133.668%0.67676%0.758SS**  trans-76.189.4175.5-610000111.4N747C745-N747 PolarHBondContact O-N 2.96Å
746L27.7Very low29.5Very low157 Ų157137 Ų13782%0.82275%0.754SS**  trans-8297.9176.5-69.3176.1000111.9L744 R748L744-L746 PolarHBondContact O-N 2.85Å; L746-R748 PolarHBondContact O-N 2.84Å
747N31.5Very low29.2Very low154 Ų154134.7 Ų134.782%0.82475%0.747SS**  trans-69.694168.1-74.7-29.9000110.5C745 A749C745-N747 PolarHBondContact O-N 2.96Å; N747-A749 PolarHBondContact O-N 3.08Å
748R27.1Very low29.7Very low202 Ų202131.5 Ų131.576%0.76274%0.743SS**  trans-78.398.1169.9-174.2178.4-176.8179-0.3109.5L746 W750L746-R748 PolarHBondContact O-N 2.84Å; R748-W750 PolarHBondContact O-N 3.37Å
749A27.6Very low29.9Very low86 Ų86134 Ų13471%0.71175%0.754SS**  trans-61132.7169.900000110.1N747N747-A749 PolarHBondContact O-N 3.08Å
750W24.9Very low29.7Very low172 Ų172130.9 Ų130.965%0.65275%0.746SS**  trans-118.9107.4175.9-154.8-54.4000108.6R748 H752R748-W750 PolarHBondContact O-N 3.37Å; W750-H752 AromaticContact CD1-CD2 3.67Å; W750-H752 AromaticContact CD1-NE2 3.89Å; W750-H752 AromaticContact NE1-CD2 3.16Å; W750-H752 PolarHBondContact NE1-CD2 2.83Å; W750-H752 AromaticContact NE1-CE1 3.94Å; W750-H752 AromaticContact NE1-CG 3.99Å; W750-H752 AromaticContact NE1-NE2 3.09Å; W750-H752 PolarHBondContact NE1-NE2 3.42Å
751N26.3Very low29.8Very low144 Ų144137.1 Ų137.177%0.7776%0.758SS**  trans-102.794.4-179.9-68.9-1.7000109.6
752H26.8Very low29.7Very low156 Ų156137.4 Ų137.472%0.72277%0.774SS**  trans-124.8116.9155.3-67-29.5000107.3W750W750-H752 AromaticContact CD1-CD2 3.67Å; W750-H752 AromaticContact CD1-NE2 3.89Å; W750-H752 AromaticContact NE1-CD2 3.16Å; W750-H752 PolarHBondContact NE1-CD2 2.83Å; W750-H752 AromaticContact NE1-CE1 3.94Å; W750-H752 AromaticContact NE1-CG 3.99Å; W750-H752 AromaticContact NE1-NE2 3.09Å; W750-H752 PolarHBondContact NE1-NE2 3.42Å
753A25.8Very low29.6Very low96 Ų96132.2 Ų132.279%0.79377%0.772SS**  trans-97.5118163.100000106.5
754E31.3Very low30.2Very low185 Ų185133.4 Ų133.486%0.86478%0.779SS**  trans-89.6106.6163.6-71.7-172.7145.400107.4L756E754-L756 PolarHBondContact O-N 2.98Å
755T29.9Very low30.5Very low105 Ų105134.4 Ų134.464%0.64478%0.779SS**  trans-72.6122.5170.7-53.60000108.7
756L30.6Very low30.4Very low164 Ų164136.2 Ų136.286%0.85978%0.783SS**  trans-126.599.3164-74.5175.5000108.3E754E754-L756 PolarHBondContact O-N 2.98Å
757D29Very low30.3Very low136 Ų136132.1 Ų132.173%0.72778%0.778SS**  trans-68.9140.5174.8-62.4-67.8000111P759D757-P759 WeakPolarHBondContact O-CD 3.4Å
758P36.8Very low30.2Very low124 Ų124135.4 Ų135.481%0.80578%0.779SS**  trans-95.4125.9175.334-30.8000112.6
759P34.7Very low30.2Very low124 Ų124132.7 Ų132.781%0.80578%0.78SS**  trans-115.8116.3167.934.8-23.5000113.5D757D757-P759 WeakPolarHBondContact O-CD 3.4Å
760G29.3Very low30.2Very low72 Ų72132.3 Ų132.374%0.74278%0.776SS**  trans52.8101.3135.200000121.9
761M34.2Very low30.9Very low205 Ų205130 Ų130100%1.0178%0.783SS**  60.9104.3114.9-154.1170.3-160.400119.8
762G29.5Very low30.8Very low86 Ų86128.6 Ų128.689%0.88778%0.78SS**  trans167.1133.1163.800000113.5
763G25.9Very low30.8Very low75 Ų75127.9 Ų127.977%0.77378%0.781SS**  trans-129.4-156.1169.600000110.3
764P44.7Very low30.9Very low118 Ų118131.2 Ų131.277%0.76678%0.784SS**  cis-135-174.1-5.742.7-26.4000114.4
765Q34.7Very low30.5Very low161 Ų161126.4 Ų126.475%0.75277%0.771SS**  trans73.1148156-88.3-169.7-72.500122.7
766D29.6Very low30.2Very low139 Ų139125.4 Ų125.474%0.74377%0.774SS**  trans50.2138.5152.9-57.42.5000120.8
767G26.9Very low30.3Very low71 Ų71122.9 Ų122.973%0.73277%0.77SS**  cis-179.8-177.2-2.700000113.6
768R28.2Very low30.4Very low222 Ų222122.3 Ų122.384%0.83877%0.774SS**  trans2.3136.4156.5-92.1-173.8-75.5-101.9-5.3118
769D27.8Very low29.9Very low145 Ų145121.1 Ų121.178%0.77577%0.768SS**  cis-157167.838.9-88.4-48.8000114.8
770A27.4Very low29.6Very low78 Ų78123.8 Ų123.865%0.64578%0.775SS**  trans-113.9151.5155.500000108.8V772A770-V772 HydrophobicContact CB-CG2 4.4Å
771P39.1Very low29.3Very low123 Ų123123.5 Ų123.580%0.79977%0.771SS**  -135.3161.687.115.18.1000112.9
772V24.9Very low28.8Very low116 Ų116119.6 Ų119.670%0.70377%0.765SS**  cis95.6120.426.6174.80000114.8A770A770-V772 HydrophobicContact CB-CG2 4.4Å
773L26.9Very low28.6Very low141 Ų141122.6 Ų122.674%0.73876%0.759SS**  trans71.4128163.4-73.8166.9000121.9
774L26.9Very low28.5Very low165 Ų165126.2 Ų126.286%0.86476%0.756SS**  -152.9104.899.2-91.9166.9000107.9
775S23.3Very low27.6Very low84 Ų84127.5 Ų127.559%0.58776%0.756SS**  78105.899.7-67.90000114
776A23.4Very low27.2Very low84 Ų84127.8 Ų127.869%0.69476%0.757SS**  85.2113.356.100000112.1
777S32.3Very low27Very low112 Ų112127.7 Ų127.778%0.78376%0.756SS**  90.4142.489.6-61.40000111.6
778P31.1Very low27.2Very low124 Ų124131.3 Ų131.381%0.80576%0.758SS**  -142.7-168.970.926.6-2.6000114.6
779S26.7Very low27.1Very low98 Ų98127 Ų12769%0.68576%0.757SS**  173.4126.3-63.158.40000111
780L29.3Very low27Very low181 Ų181125.3 Ų125.395%0.94875%0.752SS**  trans-171.8137.4157-133.971.3000113.2
781G23.3Very low26.9Very low65 Ų65131.4 Ų131.467%0.6776%0.758SS**  trans82.1112171.100000115.7
782S24Very low26.4Very low124 Ų124135.5 Ų135.587%0.86776%0.759SS**  77.6131.462.4-59.90000113.4
783L24.5Very low26.6Very low148 Ų148137.6 Ų137.678%0.77577%0.766SS**  cis-153.41714.9-166.962.2000111.5
784E24.5Very low26.9Very low152 Ų152137.1 Ų137.171%0.7177%0.771SS**  trans-21.6149.3170.9-66.3164.1119.800119.5
785L25.2Very low27Very low144 Ų144140.6 Ų140.675%0.75477%0.773SS**  cis77.177.844.2-162.7103.6000115.7
786Q27Very low27.3Very low167 Ų167139.8 Ų139.878%0.7878%0.778SS**  175.9157.2120.9-91.9158.8112.600108.4
787D23.7Very low27.4Very low137 Ų137144.3 Ų144.373%0.73379%0.787SS**  cis-144.6174.613.6-160.91.9000111.9
788L31.3Very low27.3Very low147 Ų147144.1 Ų144.177%0.7778%0.784SS**  trans-79.8135.2179.2-7074.2000112.6
789T25.7Very low27.3Very low131 Ų131144.8 Ų144.880%0.80478%0.779SS**  -162.6122.81274.90000115.6
790T25.9Very low27.5Very low110 Ų110148.1 Ų148.168%0.67578%0.778SS**  trans44.1109.5147.743.50000122.7
791R26.7Very low27.8Very low207 Ų207145.8 Ų145.878%0.78177%0.766SS**  49.7116123.2-54.9176.7-167.9-150.63.6118.9
792Y27Very low28.3Very low209 Ų209145.6 Ų145.682%0.8275%0.75SS**  178.6136.697.4-99.6-71.4000111.2
793L30.1Very low29.1Very low160 Ų160144.5 Ų144.584%0.83874%0.739SS**PPolyproline II helixtrans-71.9139.7169.4-79.673.3000109.9R795L793-R795 PolarHBondContact O-N 3.01Å
794P32.6Very low29.8Very low131 Ų131144.2 Ų144.285%0.85173%0.732SS**PPolyproline II helixtrans-68.5130.2-176.426.2-33.6000112.4
795R28.5Very low30.6Very low238 Ų238142.5 Ų142.590%0.89872%0.724SS**PPolyproline II helixtrans-74140.1175.6-71.3171.3163177.3-5.9111.7L793L793-R795 PolarHBondContact O-N 3.01Å
796G30Very low31.5Very low67 Ų67138.4 Ų138.469%0.69171%0.711SS**  trans84.8118.8150.600000116.4C798G796-C798 PolarHBondContact O-N 2.77Å; G796-C798 VanDerWaalsContact O-N 3.07Å
797M26.4Very low32.2Very low179 Ų179138.5 Ų138.588%0.88271%0.711SS**  trans-72.694.6166.6-74.1167.754.300110.6I799M797-I799 PolarHBondContact O-N 2.85Å
798C29.2Very low33Very low108 Ų108139.8 Ų139.873%0.7371%0.712SS**  trans-75.897.8167.7-69.90000110.1G796 Y800G796-C798 PolarHBondContact O-N 2.77Å; G796-C798 VanDerWaalsContact O-N 3.07Å; C798-Y800 PolarHBondContact O-N 2.88Å; C798-Y800 VanDerWaalsContact O-N 3.12Å
799I32.4Very low33.7Very low137 Ų137138.6 Ų138.670%0.70371%0.706SS**  trans-74.3100.7168.9-57.7177.7000108M797 L801M797-I799 PolarHBondContact O-N 2.85Å; I799-L801 HydrophobicContact CG2-CD1 4.45Å; I799-L801 HydrophobicContact CG2-CG 4.2Å
800Y29.9Very low34.5Very low169 Ų169136.2 Ų136.266%0.66371%0.708SS**  trans-81.9140.4167.8-140.3-97.6000109.1C798C798-Y800 PolarHBondContact O-N 2.88Å; C798-Y800 VanDerWaalsContact O-N 3.12Å
801L35.3Very low35.4Very low131 Ų131135.3 Ų135.369%0.68670%0.702SS**  trans-139.5118.8172.8-74.1170.4000107.5I799I799-L801 HydrophobicContact CG2-CD1 4.45Å; I799-L801 HydrophobicContact CG2-CG 4.2Å
802D33.8Very low36.4Very low62 Ų62129.1 Ų129.133%0.33269%0.69SS.*  trans-70.6129.5172.9-175.9-16.3000108.8K804 E805 A806D802-K804 PolarHBondContact O-N 3.19Å; D802-K804 WeakPolarHBondContact OD1-CB 3.47Å; D802-K804 WeakPolarHBondContact OD1-CG 3.35Å; D802-K804 PolarHBondContact OD1-N 2.81Å; D802-E805 HydrophobicContact CB-CB 4.35Å; D802-E805 HydrophobicContact CB-CG 3.93Å; D802-E805 PolarHBondContact N-OE2 3.33Å; D802-E805 PolarHBondContact O-N 3.29Å; D802-A806 PolarHBondContact O-N 3.43Å
803P40.6Very low37.6Very low101 Ų101123.5 Ų123.566%0.65668%0.682SS**THydrogen-bonded Turntrans-46.9-29.9168.6-30.636.7000114.6
804K39.9Very low38.7Very low142 Ų142118.9 Ų118.962%0.61766%0.663SS**THydrogen-bonded Turntrans-72.5-39.7176.7-62.8173.5-178.2171.50113.2D802 A806 E807 H808D802-K804 PolarHBondContact O-N 3.19Å; D802-K804 WeakPolarHBondContact OD1-CB 3.47Å; D802-K804 WeakPolarHBondContact OD1-CG 3.35Å; D802-K804 PolarHBondContact OD1-N 2.81Å; K804-A806 PolarHBondContact O-N 2.91Å; K804-E807 PolarHBondContact O-N 3.07Å; K804-H808 PolarHBondContact O-CD2 3.21Å; K804-H808 PolarHBondContact O-N 3.41Å
805E40.3Very low39.8Very low115 Ų115118.3 Ų118.354%0.53765%0.652SS.*Hα-helixtrans-62.1-33.9176.7-69.4171.6144.700110.9D802 E807 H808D802-E805 HydrophobicContact CB-CB 4.35Å; D802-E805 HydrophobicContact CB-CG 3.93Å; D802-E805 PolarHBondContact N-OE2 3.33Å; D802-E805 PolarHBondContact O-N 3.29Å; E805-E807 VanDerWaalsContact C-N 3.26Å; E805-E807 PolarHBondContact O-N 2.88Å; E805-H808 PolarHBondContact O-N 2.82Å
806A44.2Very low41.3Very low58 Ų58111.9 Ų111.948%0.47963%0.632SS.*Hα-helixtrans-68.8-17.2174.700000114.5D802 K804D802-A806 PolarHBondContact O-N 3.43Å; K804-A806 PolarHBondContact O-N 2.91Å
807E43Very low42.8Very low170 Ų170114.5 Ų114.579%0.79463%0.63SS**Hα-helixtrans-88.2-23.9173.1-65.6-167.3155.800112.6K804 E805 L809K804-E807 PolarHBondContact O-N 3.07Å; E805-E807 VanDerWaalsContact C-N 3.26Å; E805-E807 PolarHBondContact O-N 2.88Å; E807-L809 VanDerWaalsContact C-N 3.33Å
808H40.8Very low44.8Very low163 Ų163114.4 Ų114.476%0.75562%0.619SS**Hα-helixtrans-76.4-15.9176.3-71.4-64.1000114K804 E805K804-H808 PolarHBondContact O-CD2 3.21Å; K804-H808 PolarHBondContact O-N 3.41Å; E805-H808 PolarHBondContact O-N 2.82Å
809L44.3Very low47.1Very low123 Ų123115.1 Ų115.164%0.64461%0.612SS**SBendtrans-108.2107.6175.2-64.4176.9000110.9E807 T811E807-L809 VanDerWaalsContact C-N 3.33Å; L809-T811 PolarHBondContact O-N 2.9Å
810G42.7Very low49.5Very low81 Ų81113.3 Ų113.384%0.83560%0.599SS**THydrogen-bonded Turntrans-67.425.2-170.200000118.2
811T45.4Very low52Low90 Ų90110.1 Ų110.155%0.55259%0.59SS**THydrogen-bonded Turntrans-105.87.8-179.249.80000113.8L809 S813 S814L809-T811 PolarHBondContact O-N 2.9Å; T811-S813 PolarHBondContact O-N 3.14Å; T811-S814 PolarHBondContact O-N 2.99Å; T811-S814 VanDerWaalsContact O-N 3.13Å; T811-S814 PolarHBondContact O-OG 3.21Å
812S48.4Very low54Low77 Ų77106.5 Ų106.554%0.53858%0.579SS.*Hα-helixtrans-53.8-22.9-172.1600000116.5S814 H816S812-S814 VanDerWaalsContact C-N 3.27Å; S812-S814 PolarHBondContact O-N 2.85Å; S812-H816 WeakPolarHBondContact O-CB 3.5Å; S812-H816 PolarHBondContact O-N 3.15Å
813S51.7Low56.4Low92 Ų92108.8 Ų108.864%0.64359%0.588SS**Hα-helixtrans-61.1-32.517660.30000113.6T811 L817T811-S813 PolarHBondContact O-N 3.14Å; S813-L817 WeakPolarHBondContact O-CG 3.35Å
814S52.5Low58.7Low63 Ų63109.5 Ų109.544%0.44159%0.586SS.*Hα-helixtrans-80-47.4-174.5630000113.1T811 S812 L817 R818T811-S814 PolarHBondContact O-N 2.99Å; T811-S814 VanDerWaalsContact O-N 3.13Å; T811-S814 PolarHBondContact O-OG 3.21Å; S812-S814 VanDerWaalsContact C-N 3.27Å; S812-S814 PolarHBondContact O-N 2.85Å; S814-L817 PolarHBondContact O-N 3.4Å; S814-R818 PolarHBondContact O-N 3.42Å
815L55.9Low60.9Low119 Ų119108 Ų10862%0.62358%0.581SS**Hα-helixtrans-68.6-36.7-178.4-64.1176.3000111.8L817 R818 H819L815-L817 VanDerWaalsContact C-N 3.29Å; L815-L817 PolarHBondContact O-N 2.92Å; L815-R818 PolarHBondContact O-N 3.15Å; L815-H819 PolarHBondContact O-N 3.48Å
816H60.7Low63.1Low103 Ų103105.1 Ų105.148%0.47758%0.576SS.*Hα-helixtrans-62.6-35.1177.2-170.563.7000112.9S812 K820S812-H816 WeakPolarHBondContact O-CB 3.5Å; S812-H816 PolarHBondContact O-N 3.15Å; H816-K820 VanDerWaalsContact NE2-CE 3.33Å; H816-K820 WeakPolarHBondContact NE2-CE 3.38Å; H816-K820 PolarHBondContact NE2-NZ 2.92Å; H816-K820 WeakPolarHBondContact O-CG 3.36Å; H816-K820 PolarHBondContact O-N 2.68Å; H816-K820 VanDerWaalsContact O-N 3.12Å
817L62.3Low65.2Low122 Ų122107.2 Ų107.264%0.63958%0.579SS**Hα-helixtrans-70-42173.7-71.2171.3000111.8S813 S814 L815 K820 Q821S813-L817 WeakPolarHBondContact O-CG 3.35Å; S814-L817 PolarHBondContact O-N 3.4Å; L815-L817 VanDerWaalsContact C-N 3.29Å; L815-L817 PolarHBondContact O-N 2.92Å; L817-K820 PolarHBondContact O-N 3.02Å; L817-Q821 WeakPolarHBondContact O-CB 3.4Å; L817-Q821 PolarHBondContact O-N 2.9Å
818R67.7Low67.6Low176 Ų176104 Ų10466%0.66456%0.564SS**Hα-helixtrans-62.4-43.8174.8-72.5-62.1-165.8179.85.8112.3S814 L815 Q821 A822S814-R818 PolarHBondContact O-N 3.42Å; L815-R818 PolarHBondContact O-N 3.15Å; R818-Q821 PolarHBondContact O-N 2.96Å; R818-A822 PolarHBondContact O-N 3.17Å
819H76.4Confident69.9Low124 Ų124100 Ų10057%0.57455%0.551SS**Hα-helixtrans-59.8-47.7175.8-179.985000111.7L815 Q821 A822 Q823L815-H819 PolarHBondContact O-N 3.48Å; H819-Q821 VanDerWaalsContact C-N 3.32Å; H819-Q821 PolarHBondContact O-N 3.02Å; H819-A822 PolarHBondContact O-N 3.07Å; H819-Q823 WeakPolarHBondContact O-CB 3.49Å; H819-Q823 PolarHBondContact O-N 3.05Å
820K83.1Confident72.2Confident99 Ų9997.8 Ų97.843%0.4354%0.543SS..Hα-helixtrans-61.8-37175.5-80.3174.5167.3168.90113H816 L817 Q823 L824H816-K820 VanDerWaalsContact NE2-CE 3.33Å; H816-K820 WeakPolarHBondContact NE2-CE 3.38Å; H816-K820 PolarHBondContact NE2-NZ 2.92Å; H816-K820 WeakPolarHBondContact O-CG 3.36Å; H816-K820 PolarHBondContact O-N 2.68Å; H816-K820 VanDerWaalsContact O-N 3.12Å; L817-K820 PolarHBondContact O-N 3.02Å; K820-Q823 PolarHBondContact O-N 3.07Å; K820-L824 WeakPolarHBondContact O-CB 3.46Å; K820-L824 VanDerWaalsContact O-CG 3.31Å; K820-L824 WeakPolarHBondContact O-CG 3.28Å; K820-L824 PolarHBondContact O-N 3.03Å
821Q83.2Confident74.5Confident102 Ų10296.5 Ų96.548%0.47752%0.524SS..Hα-helixtrans-68.8-40.5176.6-168.2167.915.400112.1L817 R818 H819 L824 Q825L817-Q821 WeakPolarHBondContact O-CB 3.4Å; L817-Q821 PolarHBondContact O-N 2.9Å; R818-Q821 PolarHBondContact O-N 2.96Å; H819-Q821 VanDerWaalsContact C-N 3.32Å; H819-Q821 PolarHBondContact O-N 3.02Å; Q821-L824 PolarHBondContact O-N 3.34Å; Q821-Q825 WeakPolarHBondContact O-CG 3.46Å; Q821-Q825 PolarHBondContact O-N 2.91Å
822A77.4Confident76.6Confident55 Ų5597.6 Ų97.646%0.45552%0.522SS..Hα-helixtrans-63.4-41.1173.100000112R818 H819 Q825 A826R818-A822 PolarHBondContact O-N 3.17Å; H819-A822 PolarHBondContact O-N 3.07Å; A822-Q825 PolarHBondContact O-N 3.42Å; A822-A826 PolarHBondContact O-N 3.32Å
823Q84.3Confident78.8Confident110 Ų11097.7 Ų97.751%0.51452%0.518SS..Hα-helixtrans-61.6-43.8174.5-171-177.827.100111.9H819 K820 A826 L827H819-Q823 WeakPolarHBondContact O-CB 3.49Å; H819-Q823 PolarHBondContact O-N 3.05Å; K820-Q823 PolarHBondContact O-N 3.07Å; Q823-A826 PolarHBondContact O-N 2.71Å; Q823-L827 HydrophobicContact CG-CD1 4.45Å; Q823-L827 WeakPolarHBondContact O-CG 3.29Å; Q823-L827 PolarHBondContact O-N 3.41Å
824L87.7Confident80.8Confident116 Ų11698.2 Ų98.261%0.60751%0.514SS*.Hα-helixtrans-64.2-40.2175.6-73.8169.5000112K820 Q821 L827 E828K820-L824 WeakPolarHBondContact O-CB 3.46Å; K820-L824 VanDerWaalsContact O-CG 3.31Å; K820-L824 WeakPolarHBondContact O-CG 3.28Å; K820-L824 PolarHBondContact O-N 3.03Å; Q821-L824 PolarHBondContact O-N 3.34Å; L824-L827 PolarHBondContact O-N 3.07Å; L824-E828 WeakPolarHBondContact O-CB 3.34Å; L824-E828 PolarHBondContact O-N 3.45Å
825Q86.4Confident82.8Confident111 Ų111101.3 Ų101.352%0.51952%0.519SS..Hα-helixtrans-64.7-38.8175-74.3177.8-45.500112.3Q821 A822 E828 T829Q821-Q825 WeakPolarHBondContact O-CG 3.46Å; Q821-Q825 PolarHBondContact O-N 2.91Å; A822-Q825 PolarHBondContact O-N 3.42Å; Q825-E828 PolarHBondContact O-N 3.3Å; Q825-T829 WeakPolarHBondContact O-CG2 3.35Å; Q825-T829 PolarHBondContact O-N 3.15Å; Q825-T829 PolarHBondContact O-OG1 2.9Å
826A86.3Confident84.6Confident53 Ų53101.8 Ų101.844%0.43852%0.518SS..Hα-helixtrans-66.2-35.5174.500000112.9A822 Q823 T829 T830A822-A826 PolarHBondContact O-N 3.32Å; Q823-A826 PolarHBondContact O-N 2.71Å; A826-T829 PolarHBondContact O-OG1 2.77Å; A826-T830 WeakPolarHBondContact O-CB 3.47Å; A826-T830 WeakPolarHBondContact O-CG2 3.34Å; A826-T830 PolarHBondContact O-N 3.34Å; A826-T830 VanDerWaalsContact O-N 3.12Å; A826-T830 PolarHBondContact O-OG1 3.29Å
827L90Very high86.2Confident102 Ų102104.5 Ų104.553%0.53452%0.524SS..Hα-helixtrans-70.1-35.6172-69.8170000111.9Q823 L824 T830 A831Q823-L827 HydrophobicContact CG-CD1 4.45Å; Q823-L827 WeakPolarHBondContact O-CG 3.29Å; Q823-L827 PolarHBondContact O-N 3.41Å; L824-L827 PolarHBondContact O-N 3.07Å; L827-T830 WeakPolarHBondContact CA-OG1 3.43Å; L827-T830 PolarHBondContact O-OG1 3.09Å; L827-A831 WeakPolarHBondContact O-CB 3.33Å; L827-A831 PolarHBondContact O-N 3.08Å
828E92.4Very high87.8Confident102 Ų102102.8 Ų102.848%0.47752%0.519SS..Hα-helixtrans-69.8-41.7176.8-163-167.1153.800112.3L824 Q825 A831 K832L824-E828 WeakPolarHBondContact O-CB 3.34Å; L824-E828 PolarHBondContact O-N 3.45Å; Q825-E828 PolarHBondContact O-N 3.3Å; E828-A831 PolarHBondContact O-N 2.92Å; E828-K832 VanDerWaalsContact O-CG 3.32Å; E828-K832 WeakPolarHBondContact O-CG 3.44Å; E828-K832 PolarHBondContact O-N 3.22Å; E828-K832 WeakPolarHBondContact OE1-CE 3.44Å; E828-K832 IonicContact OE1-NZ 2.69Å; E828-K832 PolarHBondContact OE1-NZ 2.93Å
829T90.1Very high89Confident80 Ų8098 Ų9849%0.49151%0.506SS..Hα-helixtrans-68.7-43.1176.953.90000111.8Q825 A826 A831 K832 V833Q825-T829 WeakPolarHBondContact O-CG2 3.35Å; Q825-T829 PolarHBondContact O-N 3.15Å; Q825-T829 PolarHBondContact O-OG1 2.9Å; A826-T829 PolarHBondContact O-OG1 2.77Å; T829-A831 PolarHBondContact O-N 3.08Å; T829-K832 PolarHBondContact O-N 2.84Å; T829-V833 WeakPolarHBondContact O-CG2 3.45Å; T829-V833 PolarHBondContact O-N 2.8Å
830T91.5Very high89.8Confident76 Ų7695 Ų9547%0.46650%0.5SS..Hα-helixtrans-63.8-38.9174.649.30000112.1A826 L827 K832 V833 L834A826-T830 WeakPolarHBondContact O-CB 3.47Å; A826-T830 WeakPolarHBondContact O-CG2 3.34Å; A826-T830 PolarHBondContact O-N 3.34Å; A826-T830 VanDerWaalsContact O-N 3.12Å; A826-T830 PolarHBondContact O-OG1 3.29Å; L827-T830 WeakPolarHBondContact CA-OG1 3.43Å; L827-T830 PolarHBondContact O-OG1 3.09Å; T830-K832 PolarHBondContact O-N 2.9Å; T830-V833 PolarHBondContact O-N 3.45Å; T830-L834 WeakPolarHBondContact O-CB 3.31Å; T830-L834 VanDerWaalsContact O-CG 3.3Å; T830-L834 WeakPolarHBondContact O-CG 3.22Å; T830-L834 PolarHBondContact O-N 3.31Å
831A90.4Very high90.1Very high55 Ų5595.2 Ų95.246%0.45551%0.505SS..Hα-helixtrans-62.1-39.9172.300000112.9L827 E828 T829 L834 K835L827-A831 WeakPolarHBondContact O-CB 3.33Å; L827-A831 PolarHBondContact O-N 3.08Å; E828-A831 PolarHBondContact O-N 2.92Å; T829-A831 PolarHBondContact O-N 3.08Å; A831-L834 PolarHBondContact O-N 3.48Å; A831-K835 PolarHBondContact O-N 3.45Å
832K90.4Very high90.2Very high113 Ų11393.3 Ų93.349%0.49150%0.5SS..Hα-helixtrans-64.6-44.1175.2-74.4168.8-175.8171.50112.3E828 T829 T830 K835 Q836E828-K832 VanDerWaalsContact O-CG 3.32Å; E828-K832 WeakPolarHBondContact O-CG 3.44Å; E828-K832 PolarHBondContact O-N 3.22Å; E828-K832 WeakPolarHBondContact OE1-CE 3.44Å; E828-K832 IonicContact OE1-NZ 2.69Å; E828-K832 PolarHBondContact OE1-NZ 2.93Å; T829-K832 PolarHBondContact O-N 2.84Å; T830-K832 PolarHBondContact O-N 2.9Å; K832-K835 PolarHBondContact O-N 3.38Å; K832-Q836 WeakPolarHBondContact O-CG 3.42Å; K832-Q836 PolarHBondContact O-N 2.93Å
833V94.6Very high90.4Very high78 Ų7893.5 Ų93.547%0.47350%0.502SS..Hα-helixtrans-64-42.1175.8171.90000111.2T829 T830 Q836 R837T829-V833 WeakPolarHBondContact O-CG2 3.45Å; T829-V833 PolarHBondContact O-N 2.8Å; T830-V833 PolarHBondContact O-N 3.45Å; V833-Q836 PolarHBondContact O-N 3.32Å; V833-R837 WeakPolarHBondContact O-CG 3.36Å; V833-R837 PolarHBondContact O-N 2.92Å
834L93.6Very high90.4Very high104 Ų10495.4 Ų95.455%0.54551%0.508SS..Hα-helixtrans-62.4-42.2174.5-73.5171.2000111.7T830 A831 R837 V838T830-L834 WeakPolarHBondContact O-CB 3.31Å; T830-L834 VanDerWaalsContact O-CG 3.3Å; T830-L834 WeakPolarHBondContact O-CG 3.22Å; T830-L834 PolarHBondContact O-N 3.31Å; A831-L834 PolarHBondContact O-N 3.48Å; L834-R837 PolarHBondContact O-N 3.05Å; L834-V838 WeakPolarHBondContact O-CG2 3.38Å; L834-V838 PolarHBondContact O-N 3.32Å
835K94.3Very high90.1Very high127 Ų12795.6 Ų95.655%0.55251%0.509SS*.Hα-helixtrans-58.4-50.8173.6-167.8-167.6179.1-86.30111.2A831 K832 R837 V838 D839A831-K835 PolarHBondContact O-N 3.45Å; K832-K835 PolarHBondContact O-N 3.38Å; K835-R837 VanDerWaalsContact C-N 3.26Å; K835-R837 PolarHBondContact O-N 3.5Å; K835-V838 PolarHBondContact O-N 2.85Å; K835-V838 VanDerWaalsContact O-N 3.07Å; K835-D839 IonicContact NZ-OD1 3.55Å; K835-D839 IonicContact NZ-OD2 3.53Å; K835-D839 PolarHBondContact NZ-OD2 3.2Å; K835-D839 WeakPolarHBondContact O-CB 3.39Å; K835-D839 PolarHBondContact O-N 2.81Å
836Q93.4Very high89.6Confident129 Ų12996 Ų9660%0.60351%0.511SS*.Hα-helixtrans-59.1-36.1178.9-73.8175.1-38.800112.8K832 V833 S840K832-Q836 WeakPolarHBondContact O-CG 3.42Å; K832-Q836 PolarHBondContact O-N 2.93Å; V833-Q836 PolarHBondContact O-N 3.32Å; Q836-S840 VanDerWaalsContact O-CB 3.23Å; Q836-S840 WeakPolarHBondContact O-CB 3.43Å; Q836-S840 PolarHBondContact O-N 2.96Å
837R95.1Very high88.4Confident160 Ų16095.9 Ų95.960%0.60452%0.515SS*.Hα-helixtrans-68-40.7174-71.5-179.870.1-1712.3112.4V833 L834 K835 L841V833-R837 WeakPolarHBondContact O-CG 3.36Å; V833-R837 PolarHBondContact O-N 2.92Å; L834-R837 PolarHBondContact O-N 3.05Å; K835-R837 VanDerWaalsContact C-N 3.26Å; K835-R837 PolarHBondContact O-N 3.5Å; R837-L841 WeakPolarHBondContact O-CB 2.95Å; R837-L841 VanDerWaalsContact O-CG 3.25Å; R837-L841 WeakPolarHBondContact O-CG 3.34Å; R837-L841 PolarHBondContact O-N 2.97Å
838V96.4Very high86.8Confident86 Ų8693.5 Ų93.552%0.52151%0.51SS..Hα-helixtrans-64.4-52.3174172.30000110.3L834 K835 S840 L841 T842L834-V838 WeakPolarHBondContact O-CG2 3.38Å; L834-V838 PolarHBondContact O-N 3.32Å; K835-V838 PolarHBondContact O-N 2.85Å; K835-V838 VanDerWaalsContact O-N 3.07Å; V838-S840 VanDerWaalsContact C-N 3.27Å; V838-S840 PolarHBondContact O-N 3.23Å; V838-L841 PolarHBondContact O-N 3Å; V838-T842 PolarHBondContact O-N 2.82Å; V838-T842 PolarHBondContact O-OG1 3.04Å
839D93.1Very high84.7Confident75 Ų7595.4 Ų95.440%0.40152%0.518SS..Hα-helixtrans-54.8-42.8178.8-63.1-20000111.2K835 A843K835-D839 IonicContact NZ-OD1 3.55Å; K835-D839 IonicContact NZ-OD2 3.53Å; K835-D839 PolarHBondContact NZ-OD2 3.2Å; K835-D839 WeakPolarHBondContact O-CB 3.39Å; K835-D839 PolarHBondContact O-N 2.81Å; D839-A843 WeakPolarHBondContact O-CB 3.21Å; D839-A843 PolarHBondContact O-N 3.32Å
840S91.4Very high82.8Confident63 Ų6394.7 Ų94.744%0.44152%0.521SS..Hα-helixtrans-67.9-38.7176.7-176.80000113.5Q836 V838 K844Q836-S840 VanDerWaalsContact O-CB 3.23Å; Q836-S840 WeakPolarHBondContact O-CB 3.43Å; Q836-S840 PolarHBondContact O-N 2.96Å; V838-S840 VanDerWaalsContact C-N 3.27Å; V838-S840 PolarHBondContact O-N 3.23Å; S840-K844 WeakPolarHBondContact O-CG 3.45Å; S840-K844 PolarHBondContact O-N 2.74Å
841L89.4Confident80.6Confident103 Ų10397.9 Ų97.954%0.53953%0.534SS..Hα-helixtrans-69.6-39.9175.3-73.3168.8000111.5R837 V838 K844 L845R837-L841 WeakPolarHBondContact O-CB 2.95Å; R837-L841 VanDerWaalsContact O-CG 3.25Å; R837-L841 WeakPolarHBondContact O-CG 3.34Å; R837-L841 PolarHBondContact O-N 2.97Å; V838-L841 PolarHBondContact O-N 3Å; L841-K844 PolarHBondContact O-N 2.79Å; L841-L845 WeakPolarHBondContact O-CG 3.34Å; L841-L845 PolarHBondContact O-N 2.8Å
842T86.6Confident78.4Confident61 Ų61102.2 Ų102.237%0.37455%0.55SS..Hα-helixtrans-61.3-44.8173.8-61.30000111.3V838 K844 L845 Q846V838-T842 PolarHBondContact O-N 2.82Å; V838-T842 PolarHBondContact O-OG1 3.04Å; T842-K844 VanDerWaalsContact C-N 3.32Å; T842-K844 PolarHBondContact O-N 2.84Å; T842-L845 PolarHBondContact O-N 3.24Å; T842-Q846 WeakPolarHBondContact O-CG 3.4Å; T842-Q846 PolarHBondContact O-N 2.99Å
843A81.8Confident76.1Confident59 Ų59102.2 Ų102.249%0.48856%0.559SS.*Hα-helixtrans-62-37.217500000112.7D839 G847D839-A843 WeakPolarHBondContact O-CB 3.21Å; D839-A843 PolarHBondContact O-N 3.32Å; A843-G847 PolarHBondContact O-N 3.19Å
844K84.6Confident73.5Confident150 Ų150104.9 Ų104.965%0.65258%0.576SS**Hα-helixtrans-67.9-35.7175.1-76.2-179.3178.4-168.70113.3S840 L841 T842 A848S840-K844 WeakPolarHBondContact O-CG 3.45Å; S840-K844 PolarHBondContact O-N 2.74Å; L841-K844 PolarHBondContact O-N 2.79Å; T842-K844 VanDerWaalsContact C-N 3.32Å; T842-K844 PolarHBondContact O-N 2.84Å; K844-A848 PolarHBondContact O-N 3.09Å
845L81.3Confident70.7Confident121 Ų121111.1 Ų111.163%0.63459%0.592SS**Hα-helixtrans-69.5-45.7175.2-69.7168000111.3L841 T842 G847 A848 E849L841-L845 WeakPolarHBondContact O-CG 3.34Å; L841-L845 PolarHBondContact O-N 2.8Å; T842-L845 PolarHBondContact O-N 3.24Å; L845-G847 VanDerWaalsContact C-N 3.3Å; L845-G847 PolarHBondContact O-N 3.12Å; L845-A848 WeakPolarHBondContact O-CB 3.26Å; L845-A848 PolarHBondContact O-N 2.8Å; L845-E849 PolarHBondContact O-N 3.13Å; L845-E849 VanDerWaalsContact O-N 3.16Å
846Q75Confident67.5Low120 Ų120112.7 Ų112.756%0.56161%0.607SS**Hα-helixtrans-64.2-35176.5-70.5173.2-18.500112.4T842 A848 A850T842-Q846 WeakPolarHBondContact O-CG 3.4Å; T842-Q846 PolarHBondContact O-N 2.99Å; Q846-A848 VanDerWaalsContact C-N 3.26Å; Q846-A848 PolarHBondContact O-N 2.9Å; Q846-A850 PolarHBondContact O-N 3.03Å
847G61.6Low65.4Low49 Ų49111.4 Ų111.451%0.50561%0.609SS.*Hα-helixtrans-67.7-20.9172.400000114.4A843 L845A843-G847 PolarHBondContact O-N 3.19Å; L845-G847 VanDerWaalsContact C-N 3.3Å; L845-G847 PolarHBondContact O-N 3.12Å
848A56.5Low62.6Low52 Ų52108.4 Ų108.443%0.4362%0.618SS.*Hα-helixtrans-81.9-45.2173.400000111.7K844 L845 Q846 A850 L851K844-A848 PolarHBondContact O-N 3.09Å; L845-A848 WeakPolarHBondContact O-CB 3.26Å; L845-A848 PolarHBondContact O-N 2.8Å; Q846-A848 VanDerWaalsContact C-N 3.26Å; Q846-A848 PolarHBondContact O-N 2.9Å; A848-A850 PolarHBondContact O-N 3.08Å; A848-A850 VanDerWaalsContact O-N 3.15Å; A848-L851 PolarHBondContact O-N 2.61Å
849E48.5Very low59.6Low142 Ų142111.5 Ų111.566%0.66464%0.637SS**Hα-helixtrans-57-29.9174.9-75.3-176.811500112.9L845 L851 T853L845-E849 PolarHBondContact O-N 3.13Å; L845-E849 VanDerWaalsContact O-N 3.16Å; E849-L851 VanDerWaalsContact C-N 3.26Å; E849-L851 PolarHBondContact O-N 2.89Å; E849-T853 PolarHBondContact O-OG1 3.05Å
850A48.7Very low56.7Low65 Ų65111.1 Ų111.154%0.53765%0.651SS.*THydrogen-bonded Turntrans-69.7-16.6176.600000114.5Q846 A848Q846-A850 PolarHBondContact O-N 3.03Å; A848-A850 PolarHBondContact O-N 3.08Å; A848-A850 VanDerWaalsContact O-N 3.15Å
851L46.3Very low53.9Low144 Ų144116 Ų11675%0.75467%0.672SS**THydrogen-bonded Turntrans-91.9-33.7179.8-144.876.3000112.4A848 E849 T853A848-L851 PolarHBondContact O-N 2.61Å; E849-L851 VanDerWaalsContact C-N 3.26Å; E849-L851 PolarHBondContact O-N 2.89Å; L851-T853 VanDerWaalsContact C-N 3.27Å; L851-T853 PolarHBondContact O-N 2.85Å
852D44.4Very low51Low145 Ų145117.9 Ų117.978%0.77568%0.681SS**THydrogen-bonded Turntrans-79.2-2.7-176.4-75.4-35.4000114.4
853T41.4Very low48.3Very low113 Ų113125.6 Ų125.669%0.69370%0.704SS**THydrogen-bonded Turntrans-95.5-7.7-178.533.30000114.9E849 L851 R855E849-T853 PolarHBondContact O-OG1 3.05Å; L851-T853 VanDerWaalsContact C-N 3.27Å; L851-T853 PolarHBondContact O-N 2.85Å; T853-R855 PolarHBondContact O-N 3.37Å
854V40.6Very low45.7Very low135 Ų135127.8 Ų127.882%0.81872%0.715SS**  trans-94.176.4175.6-1720000110.8
855R33.4Very low42.9Very low234 Ų234126.4 Ų126.488%0.88372%0.723SS**  trans-134.2100.5168.4-180-173.3164.4-173.8-5.1110.4T853T853-R855 PolarHBondContact O-N 3.37Å
856D28.5Very low40.4Very low161 Ų161126.3 Ų126.386%0.86173%0.73SS**  trans-130.3140.2168.2-157.933.5000109.3
857P49.3Very low38Very low102 Ų102129.3 Ų129.366%0.66274%0.744SS**  trans-109.2144.8-162.638.3-30.3000115.7
858A36.6Very low36.3Very low96 Ų96132.7 Ų132.779%0.79376%0.759SS**  trans59.8118.7152.500000119.5
859V32.9Very low35.2Very low151 Ų151138.5 Ų138.592%0.91578%0.782SS**  -155.914799.9147.70000106.4
860G31.7Very low34.2Very low68 Ų68137.6 Ų137.670%0.70179%0.788SS**  trans-128.3160.1-174.400000113.8
861L32.2Very low33.1Very low165 Ų165139.4 Ų139.486%0.86480%0.803SS**  trans-163.4152.9159.5-105.3164.8000110.6
862L29.3Very low32.3Very low142 Ų142136.8 Ų136.874%0.74380%0.803SS**  trans58.392.8159.1-66.1164.9000120.5
863R29.1Very low31.8Very low224 Ų224136.1 Ų136.185%0.84581%0.806SS**  27.3110.3105.3-178.4-166.1175.8168.10.6116.8
864S27.8Very low31.1Very low104 Ų104137.1 Ų137.173%0.72781%0.813SS**  172.7139.2117.6-74.40000112.4
865C24.9Very low30.5Very low121 Ų121138.7 Ų138.782%0.81882%0.816SS**PPolyproline II helixtrans-85.6135.6164.8-55.60000110.2
866P29.4Very low30.1Very low119 Ų119131.9 Ų131.977%0.77381%0.809SS**PPolyproline II helixtrans-98.6117158.732.8-25.6000110.4
867H24.7Very low30Very low184 Ų184130.4 Ų130.485%0.85281%0.806SS**PPolyproline II helixtrans-78.5134.8158.2-74.3-59.9000109
868S25.8Very low29.6Very low120 Ų120131.5 Ų131.584%0.83981%0.813SS**  trans-161.1106.6159.5-78.80000109.8
869L33.2Very low29Very low174 Ų174132.1 Ų132.191%0.91181%0.807SS**PPolyproline II helixtrans-88.5139.3163.5-75.6165.2000108.6
870P28.5Very low28.8Very low122 Ų122132.8 Ų132.879%0.79281%0.805SS**PPolyproline II helixtrans-71.8146.3157.732.1-31.9000109.7
871A24.8Very low28.5Very low103 Ų103134 Ų13485%0.85181%0.808SS**PPolyproline II helixtrans-81.9154.5-172.400000113.9
872A28.5Very low28.2Very low89 Ų89132.8 Ų132.874%0.73681%0.808SS**  trans-105.7145.9158.900000109.5
873P35.4Very low28.7Very low131 Ų131131.8 Ų131.885%0.85181%0.81SS**  trans-75.6154.3-177.830.6-34.8000113.4
874T26.6Very low28.5Very low135 Ų135125.3 Ų125.383%0.82880%0.804SS**  trans-80.4148.2-168.5-42.20000114.4
875L26.9Very low28.5Very low168 Ų168126.2 Ų126.288%0.8881%0.809SS**  trans-160.7132.5136.8-111.5167.5000113.8
876A26.4Very low29.4Very low90 Ų90126.4 Ų126.474%0.74481%0.809SS**  trans59.2110.4158.200000122.6
877T26.5Very low29.2Very low131 Ų131124.3 Ų124.380%0.80481%0.808SS**  trans-74.6160.914831.90000111.1
878P40.2Very low29.3Very low124 Ų124119.7 Ų119.781%0.80580%0.803SS**  -143.6-17362.431.5-7.9000115.4
879T24.6Very low29.3Very low110 Ų110122.8 Ų122.868%0.67581%0.808SS**  cis-170.4169.2-37.3-74.60000107.3
880L27.6Very low29.1Very low165 Ų165118 Ų11886%0.86480%0.801SS**  trans77.4142.3-178-67.598.1000116
881A25.3Very low29.9Very low93 Ų93118.1 Ų118.177%0.76980%0.802SS**  cis-159.6148.8-19.600000111.6
882T25.8Very low29.9Very low139 Ų139118.9 Ų118.985%0.85379%0.792SS**  trans-89.1176.5164.218.40000110.6
883P40.7Very low29.9Very low122 Ų122125.3 Ų125.379%0.79280%0.797SS**  cis-130.3-160.919.943.4-22.9000112.7
884A23.9Very low29.5Very low88 Ų88122.2 Ų122.273%0.72779%0.789SS**  cis-153.2161.88.300000113.5
885C29.3Very low29.7Very low122 Ų122127.9 Ų127.982%0.82480%0.795SS**  trans-111.3166.1154.5-49.60000108.3
886P42.8Very low29.6Very low126 Ų126123.5 Ų123.582%0.81879%0.791SS**  -132.3-178.872.6168.9000112
887G26.3Very low29.7Very low74 Ų74123.9 Ų123.976%0.76379%0.794SS**  cis96.7154.926.400000111.4
888A25.6Very low30.4Very low88 Ų88123.9 Ų123.973%0.72780%0.796SS**  cis-170.9145.6-17.200000109.7
889L27.4Very low29.8Very low184 Ų184121.3 Ų121.396%0.96379%0.793SS**  trans64.5135.7159.6-57.8167.8000120.6
890G28.7Very low30Very low74 Ų74125 Ų12576%0.76380%0.803SS**  trans170118.4169.700000112.6
891P44.3Very low30Very low125 Ų125128.5 Ų128.581%0.81280%0.804SS**  trans-115.4174.1-168.241.3-35000116.7
892N25.7Very low30Very low119 Ų119129.3 Ų129.364%0.63680%0.799SS**  trans93.2156.2155-159.328.5000118.9
893W27.9Very low30.1Very low224 Ų224127.6 Ų127.685%0.84879%0.793SS**  trans64.2148.2-175.1-59.2-88.1000116.7
894G27.3Very low29.5Very low66 Ų66129.8 Ų129.868%0.6880%0.795SS**  cis140104-17.800000115.9
895R29.7Very low29.6Very low253 Ų253133.6 Ų133.696%0.95580%0.797SS**  trans65.8121.8161.1-175-158.8-57.5-88.10.3117.9
896G26.3Very low29.9Very low77 Ų77133.2 Ų133.279%0.79479%0.794SS**  trans127.5131.1145.500000117.2
897A28.8Very low29.2Very low98 Ų98136.1 Ų136.181%0.8180%0.796SS**  trans-97.3-177.315500000107.9
898P39.4Very low30.1Very low130 Ų130137 Ų13784%0.84479%0.788SS**  cis-145.5-169.427.443.7-22.4000116.9
899G29.3Very low30.2Very low71 Ų71140.3 Ų140.373%0.73279%0.793SS**  trans94.9115.5170.100000113.3
900E27.9Very low30.3Very low188 Ų188138.5 Ų138.588%0.87978%0.783SS**  cis71.311536.1-166.4-178.1-123.900114.6
901W27.3Very low31Very low238 Ų238140.1 Ų140.190%0.90278%0.781SS**  trans-167.3147156.8-100105.5000111.6
902V26.1Very low30.8Very low110 Ų110139.1 Ų139.167%0.66777%0.774SS**  trans53.9103.8166.5-171.20000116.1
903S28.2Very low30.8Very low102 Ų102138.8 Ų138.871%0.71378%0.776SS**  cis77.7120.933.198.10000116.3
904M27.8Very low30.8Very low168 Ų168137.7 Ų137.783%0.82877%0.774SS**  trans-148.1123.3160.1-99.2-62.1154.400109.5
905Q26.4Very low30.9Very low168 Ų168143.1 Ų143.179%0.78578%0.779SS**  trans39.8108.3165.8-68.9-67.6-4.600118.1
906P35.8Very low31Very low115 Ų115138 Ų13875%0.74777%0.77SS**  -141.6153.710438.2-28.3000114.3
907Q26.1Very low31.1Very low186 Ų186141.9 Ų141.987%0.86977%0.772SS**  trans-171.2166.9133.9-96.4-136.8-63.600112.8
908P46.6Very low31Very low93 Ų93141 Ų14160%0.60477%0.772SS**  trans-114.1-171.4-168.344.1-34.1000112.7
909L27.3Very low30.4Very low158 Ų158143.7 Ų143.783%0.82777%0.774SS**  trans-161.7151.4148.2-81-176.5000107.3
910L28.8Very low30.4Very low145 Ų145145.5 Ų145.576%0.75977%0.77SS**  cis178.5168.4-37.6-103.1-174.7000104.6
911P44.8Very low30.2Very low108 Ų108144 Ų14470%0.70177%0.768SS**  trans-87.3-160.6-174.341.6-40.4000111.4
912P40.1Very low30Very low104 Ų104137.4 Ų137.468%0.67576%0.758SS**  cis-148.8-158.412.536.4-9000117.8
913T25.9Very low30Very low112 Ų112144.2 Ų144.269%0.68777%0.772SS**  trans82155.8165.378.80000117.3
914Y25.9Very low29.8Very low201 Ų201141.9 Ų141.979%0.78876%0.764SS**  cis-133.9-179.38-111.8-79.3000113.1
915F29.7Very low29.8Very low180 Ų180140.4 Ų140.479%0.78977%0.767SS**  trans-74.6179.9177.8-63.3-111.3000112.9
916L32.9Very low29.7Very low147 Ų147137.5 Ų137.577%0.7777%0.765SS**  cis-159.6-179.24.6-133.7157.1000111.2
917D27.6Very low29.4Very low158 Ų158143.2 Ų143.285%0.84577%0.772SS**  trans92.7136166.1-71.1-14.2000121
918G27.9Very low29.7Very low78 Ų78142.5 Ų142.580%0.80477%0.768SS**  trans131.184.4171.900000116.5
919E27Very low28.7Very low188 Ų188146.6 Ų146.688%0.87978%0.779SS**  trans-73.3165.9166.6-66.4-176.8112.800112.6
920T27.8Very low28.7Very low108 Ų108148 Ų14866%0.66378%0.782SS**  cis-166.7125-28.4-85.90000108
921L25Very low28.6Very low157 Ų157149.1 Ų149.182%0.82278%0.783SS**  trans54.1127.5160.5-66.1169.7000122.6
922S23Very low27.6Very low99 Ų99149.6 Ų149.669%0.69279%0.789SS**  trans53.6130.614267.80000122.5
923W24.7Very low26.9Very low254 Ų254150.6 Ų150.696%0.96279%0.793SS**  -171.4172.1110.2-109.568.6000110.3
924G24.1Very low27.2Very low53 Ų53150.9 Ų150.955%0.54680%0.8SS.*  trans-96174-171.800000115.8S926G924-S926 PolarHBondContact O-N 3.36Å
925P29.4Very low27.5Very low137 Ų137147.1 Ų147.189%0.8980%0.8SS**  trans-71.695.8-178.7-15.831.3000112.7
926S22.9Very low27.2Very low106 Ų106149.8 Ų149.874%0.74180%0.804SS**  trans-70.6143.8153.1176.80000109.6G924G924-S926 PolarHBondContact O-N 3.36Å
927W30.1Very low26.9Very low236 Ų236146.6 Ų146.689%0.89480%0.799SS**  trans-138.169.2156.464.1-89.4000110.9
928E31.8Very low26.8Very low171 Ų171146.8 Ų146.880%0.79979%0.794SS**  trans-15789.6163.2-139.2178-14700112.7
929Q26.2Very low26.7Very low178 Ų178147.4 Ų147.483%0.83279%0.786SS**  trans-166.7162.8156.4-116.8171.84.800113.5
930Q26.9Very low26.7Very low189 Ų189146.7 Ų146.788%0.88378%0.782SS**  trans7092.3-163.7-57.2-176-23.200112
931Q26.9Very low26.7Very low168 Ų168146.5 Ų146.579%0.78579%0.786SS**  cis64.2145.324.8-80.4-161.412.400116.6
932S24.3Very low26.9Very low117 Ų117148.5 Ų148.582%0.81879%0.788SS**  trans69145-164.381.70000113.5
933V24.4Very low27.7Very low125 Ų125148.9 Ų148.976%0.75879%0.788SS**  cis-127.7140.68.1175.60000110.6
934S32.9Very low27.8Very low119 Ų119148.2 Ų148.283%0.83279%0.785SS**  trans-101.9132.7168.8-58.40000112.3
935P31.6Very low27.9Very low121 Ų121149.3 Ų149.379%0.78680%0.796SS**  trans-96.4130.4154.3-13.231.3000113.4
936R23.6Very low27.8Very low237 Ų237149.5 Ų149.589%0.89479%0.794SS**  trans-27.9158.4141.5-66172.8-171.1-163.72114.5
937A26.3Very low28Very low79 Ų79149.4 Ų149.465%0.65379%0.794SS**  cis-171-151.4-10.500000106.5
938H26.1Very low27.9Very low162 Ų162147.4 Ų147.475%0.7579%0.794SS**  cis-164.9143.47.3-131.6-55000109.3
939C26Very low28Very low92 Ų92143.3 Ų143.362%0.62279%0.79SS**  trans55.9171.1151.9-71.40000118.2
940E26.2Very low29.2Very low172 Ų172140.9 Ų140.980%0.80479%0.789SS**  cis-152.4164.5-19.6-117.6156.2-146.800105.9
941S28.6Very low30Very low105 Ų105139.4 Ų139.473%0.73479%0.787SS**  cis-161.5166.731.448.30000111.8
942K30.3Very low30.4Very low199 Ų199139 Ų13987%0.86579%0.789SS**  trans-109.5151.1153.1-118.8-179.4-178.1176.70107.3
943P38.4Very low31.3Very low107 Ų107144.2 Ų144.270%0.69581%0.807SS**  -142.4167.3125.233.7-18.5000116
944R27Very low31.7Very low240 Ų240145.2 Ų145.291%0.90681%0.809SS**  trans-2.6136.9148.8-53.9162-171.7-1190.5116.1
945G26.6Very low31.6Very low75 Ų75146.6 Ų146.677%0.77381%0.808SS**  cis93.693.3500000113.8
946V26.6Very low31.6Very low141 Ų141148 Ų14886%0.85581%0.809SS**  trans-143144.6169.5-1760000110.3
947S28Very low32.1Very low104 Ų104142.8 Ų142.873%0.72780%0.804SS**  trans-43151174.3-43.80000115.5
948Q28.3Very low32.5Very low194 Ų194146.8 Ų146.891%0.90781%0.814SS**  -167.9168.470-94.5-177.1-18.800114
949A32.9Very low32.9Very low86 Ų86145.7 Ų145.771%0.71182%0.818SS**  trans-106.8178.5164.400000108.4
950P52.1Low33.4Very low126 Ų126149.6 Ų149.682%0.81883%0.832SS**  cis-144.9-16722.644.4-23.1000117.1
951L42.3Very low33.9Very low158 Ų158147.8 Ų147.883%0.82783%0.834SS**  trans-59.1163167.8-60.7154000113.8
952L37.2Very low34.4Very low161 Ų161151.4 Ų151.484%0.84384%0.842SS**  -173.7146.1118-88.5158.1000106.2
953L43.2Very low34.8Very low226 Ų226147.1 Ų147.1100%1.18384%0.84SS**  cis-132.6017.9-136.8168000110.7

Retrieved 953 of 953 residues in 213.6 ms (Link to these results)