A0A077ZD30_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZD30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 757 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M45.2Very low49.6Very low221 Ų221151.3 Ų151.3100%1.08984%0.835SS**  070.80-56.8173.6-174.700106.4
2E44.4Very low49.6Very low178 Ų178149.8 Ų149.883%0.83282%0.824SS**  68.213269.9-65167.9116.500111.3
3T53.6Low49.8Very low137 Ų137150.8 Ų150.884%0.8483%0.828SS**  cis-136.9171.810.236.90000113
4N43.6Very low50Low155 Ų155147.1 Ų147.183%0.82983%0.827SS**  trans-101.7-165.6-177.1-154.5-27.3000111.1
5V53.3Low50.2Low142 Ų142143.5 Ų143.586%0.86182%0.824SS**  trans84.8129.4176.2-168.80000114
6G48.1Very low50.7Low63 Ų63139.4 Ų139.465%0.64982%0.823SS**  cis150.6128.3-1.600000110.6
7P53.2Low50.8Low132 Ų132139.8 Ų139.886%0.85782%0.82SS**  trans-94.2153.8-168.136.1-35.6000114.7
8R48.8Very low51.5Low251 Ų251142.8 Ų142.895%0.94783%0.825SS**  trans-146.1124164.2-76.8-170.8173-173.2-3.2112.3
9T48.6Very low51.5Low132 Ų132145.3 Ų145.381%0.8183%0.828SS**  trans-94.4-174.7147.753.70000107.6
10P55.9Low52.1Low100 Ų100144.8 Ų144.865%0.64983%0.827SS**  cis-126.7-169.2-5.241.7-24.6000112.8
11N51.4Low52.5Low153 Ų153146.3 Ų146.382%0.81883%0.827SS**  -172.5148.3126.9-90.9-8.6000110.6
12D49.7Very low52.9Low133 Ų133143.3 Ų143.371%0.71182%0.816SS**  trans-79.8164.8-177.2-51.1-94.8000112.5
13D51.3Low53.7Low164 Ų164138.4 Ų138.488%0.87781%0.813SS**  165.8157.5112.1-93.5-40.5000115.4
14A53.3Low53.6Low98 Ų98139 Ų13981%0.8181%0.811SS**  trans75.7105.6154.200000120.9
15A52.7Low54.6Low94 Ų94138.7 Ų138.778%0.77781%0.81SS**  trans-51.7167.3163.800000117.2
16G58.2Low54.6Low78 Ų78139.3 Ų139.380%0.80481%0.808SS**  trans-16786.9168.400000110
17D53.4Low55.1Low146 Ų146142.6 Ų142.678%0.78181%0.809SS**  trans-81.6138.3174.5-50.7-74.1000110.4
18E62.3Low54.8Low194 Ų194140.9 Ų140.991%0.90780%0.801SS**  trans-142.7127.4147.6-76.5-155.716600110
19E50.9Low55.1Low190 Ų190136.1 Ų136.189%0.88879%0.794SS**  trans-93.7138.4176.4-58.6177.6132.700109.6
20V63.6Low55Low134 Ų134138.5 Ų138.581%0.81279%0.793SS**  trans-138.398.3161.7-176.10000110.6
21E61.7Low54.6Low177 Ų177141.2 Ų141.283%0.82780%0.801SS**  trans24.6121.1146.3-57.9-169.9146.700121.9
22D52.2Low54.1Low159 Ų159139.1 Ų139.185%0.8579%0.794SS**  trans-7.1147.4141.9-54.6-49.7000120.6
23G61.6Low53.8Low75 Ų75139.7 Ų139.777%0.77380%0.795SS**  trans-160.472.1172.100000111.6
24D52.9Low53.3Low149 Ų149138.4 Ų138.480%0.79779%0.789SS**  trans-76.1131.4171.5-70.8-45000111
25D64.8Low52.4Low149 Ų149139.1 Ų139.180%0.79779%0.786SS**  trans-14278.2167.8-99.2-44.8000110.9I27D25-I27 PolarHBondContact O-N 2.71Å
26D53.3Low51.5Low154 Ų154142.2 Ų142.282%0.82479%0.79SS**  trans-75.392.4167.6-93.4-38000110.7S28D26-S28 PolarHBondContact O-N 2.84Å
27I58Low50.5Low132 Ų132150.5 Ų150.568%0.67780%0.797SS**  trans-88.885.2168.9-61.6-177.8000110.3D25 D29D25-I27 PolarHBondContact O-N 2.71Å; I27-D29 HydrophobicContact CG2-CB 4.37Å; I27-D29 PolarHBondContact O-N 2.77Å
28S46.2Very low49.6Very low97 Ų97147.8 Ų147.868%0.67879%0.794SS**  trans-85.880.3165.6-68.60000110.6D26 K30D26-S28 PolarHBondContact O-N 2.84Å; S28-K30 PolarHBondContact O-N 2.83Å; S28-K30 VanDerWaalsContact O-N 3.16Å
29D55.3Low48.4Very low151 Ų151149.8 Ų149.881%0.80779%0.794SS**  trans-74.2110.3-178.6-102.8-20.8000112.8I27I27-D29 HydrophobicContact CG2-CB 4.37Å; I27-D29 PolarHBondContact O-N 2.77Å
30K47.1Very low47.7Very low181 Ų181146.9 Ų146.979%0.78779%0.789SS**  trans-78.2119176.5-60.5169-177.1173.40109.5S28S28-K30 PolarHBondContact O-N 2.83Å; S28-K30 VanDerWaalsContact O-N 3.16Å
31L46.1Very low47Very low158 Ų158146.4 Ų146.483%0.82779%0.789SS**  trans-112.776.5154.8-78.3173.8000110.2
32V41.3Very low45.7Very low108 Ų108146.3 Ų146.366%0.65579%0.788SS**  trans-69.2118.2149.5176.50000106.1
33I43.6Very low44.9Very low145 Ų145144.7 Ų144.774%0.74478%0.784SS**  trans-112.5112.9164.3-64.7-179.2000106.3
34D41.7Very low43.6Very low138 Ų138147.3 Ų147.374%0.73879%0.785SS**  trans-66158-174.4-71.8-60.5000113.5
35C33.7Very low42.9Very low112 Ų112147.9 Ų147.976%0.75779%0.787SS**  trans-71.8177.5172.1-66.60000112.5
36D34.7Very low41.7Very low160 Ų160146.3 Ų146.386%0.85679%0.785SS**  trans71.484.5161-57.7-28.4000118.7
37R36.3Very low40.8Very low251 Ų251144.6 Ų144.695%0.94779%0.785SS**  -143.6118.8129.5-152.2153.3-174.7139-1.5114.8
38A34.4Very low39.8Very low89 Ų89144.4 Ų144.474%0.73679%0.79SS**  trans-72148177.900000113.7
39R36.9Very low39.3Very low237 Ų237146.7 Ų146.789%0.89480%0.8SS**  -174.4126.5112.4-104.6174.8173.6177-2.9112.5
40T36.8Very low38.2Very low129 Ų129145 Ų14579%0.79180%0.8SS**  trans-67.3155.9156.845.90000110.3
41P48.1Very low37.7Very low124 Ų124141.1 Ų141.181%0.80580%0.796SS**  -123.6130.9125.333.8-29000111.4
42E34.7Very low37.4Very low175 Ų175141 Ų14182%0.81880%0.796SS**  trans-60.6161.9155.5-54.3179.4117.300109.7
43T34.7Very low36.9Very low125 Ų125141.2 Ų141.277%0.76780%0.801SS**  164.6104.5127-730000112.2
44V35.3Very low36.5Very low129 Ų129141.6 Ų141.678%0.78281%0.805SS**  trans63.1119.3133.5-179.20000120.4
45L37.5Very low36.1Very low162 Ų162140.3 Ų140.385%0.84880%0.801SS**  trans-59.6149.5158.7-62.8164.1000112.2
46P40.5Very low36.4Very low116 Ų116143.6 Ų143.675%0.75381%0.806SS**  trans-124.7113.2143.733.1-22.6000111.9
47S33.2Very low36.4Very low117 Ų117144.7 Ų144.782%0.81880%0.803SS**  trans-79.7117.2154.1550000109.1
48T38.9Very low36.5Very low129 Ų129137.6 Ų137.679%0.79179%0.792SS**  trans-132.4113.9161.940.60000110.9
49V35.4Very low37Very low144 Ų144139.1 Ų139.187%0.87379%0.792SS**  trans-63.4142.8158.5-75.40000109.5
50S32.2Very low37Very low117 Ų117136.8 Ų136.882%0.81879%0.788SS**  -161.1126.9127.5-129.90000111
51S36.1Very low37.1Very low99 Ų99135 Ų13569%0.69279%0.786SS**  trans-62142158.445.30000109.9
52D39.2Very low36.6Very low155 Ų155137.1 Ų137.183%0.82979%0.786SS**  -159152.6122.7-112-36.1000115.9
53C31.5Very low36.8Very low113 Ų113136.9 Ų136.976%0.76478%0.782SS**  trans-66.8141.8-171.9-45.10000113.5
54N34.5Very low37Very low153 Ų153135.3 Ų135.382%0.81878%0.781SS**  -156.5148120.3-146.6-11.9000114.3
55V33.3Very low37.1Very low111 Ų111134.4 Ų134.467%0.67378%0.781SS**  trans-99.6133.5176.7169.60000109.6K57V55-K57 HydrophobicContact CG1-CB 4.45Å
56Q39.9Very low37.3Very low181 Ų181130.4 Ų130.485%0.84677%0.771SS**  trans-168.6103.1139.5-104.7157.856.900108.5
57K34.8Very low37.1Very low182 Ų182136.4 Ų136.479%0.79178%0.779SS**  82.3137.160.7-172.1179.2-175.7-179.60112.1V55V55-K57 HydrophobicContact CG1-CB 4.45Å
58S38.9Very low37.2Very low103 Ų103135.3 Ų135.372%0.7277%0.77SS**  trans92.9135.2168.286.70000116.2
59T44.7Very low37.5Very low121 Ų121136.8 Ų136.874%0.74277%0.773SS**  cis-161.8141.9-12.66.60000112.1
60K37.6Very low37.8Very low188 Ų188139.8 Ų139.882%0.81778%0.775SS**  54.2109.7127.5-159.7176.5-174.8-1760118
61A37.3Very low38Very low90 Ų90137.2 Ų137.274%0.74477%0.767SS**  cis76.8112.546.400000116.5
62E38.8Very low38.3Very low170 Ų170139.8 Ų139.879%0.79477%0.772SS**  trans-156.1160.2147.8-89.3-149108.600108.8
63K38.3Very low38.2Very low170 Ų170141.2 Ų141.274%0.73977%0.771SS**  cis179.8174.5-28.9-167171.4177.9-178.30107.6
64A39.7Very low38.3Very low91 Ų91139.4 Ų139.475%0.75276%0.764SS**  trans78.8144.3152.900000117.7
65S37.4Very low38.5Very low110 Ų110139.3 Ų139.377%0.76976%0.763SS**  cis-169.7175-14.8-172.30000110.9
66A40.8Very low38.3Very low79 Ų79141.2 Ų141.265%0.65376%0.764SS**  trans76.4111.4162.100000116.5
67R37.6Very low38.1Very low241 Ų241139.3 Ų139.391%0.90976%0.759SS**  73.2140.666.2-71.5178.6177.2-1730.2111.5
68C35.1Very low38.2Very low95 Ų95134.3 Ų134.364%0.64275%0.747SS**  cis-154.9151.212.3-148.40000111
69N44.4Very low38.2Very low160 Ų160137.1 Ų137.186%0.85675%0.749SS**  -174.1148.5111.3-89.2-23.4000111.6
70K40.9Very low37.7Very low206 Ų206136.3 Ų136.390%0.89675%0.749SS**  trans-119.8155.8-178.2-72.5179.4175.2179.30110.2
71G37.7Very low37.8Very low64 Ų64136.8 Ų136.866%0.6675%0.75SS**  trans151.692.6167.400000109.1
72L42.3Very low37.8Very low152 Ų152136.9 Ų136.980%0.79675%0.746SS**  59.1129.277.5-60.6179.6000112.2
73K36.9Very low37.8Very low185 Ų185137.6 Ų137.680%0.80475%0.746SS**  cis-170.1163.1-11.2-138.9-175.6-166.9-178.50107.9
74A33.7Very low37.6Very low76 Ų76135.5 Ų135.563%0.62875%0.748SS**  trans71.4116.1138.900000121.7
75L37.8Very low37.5Very low151 Ų151135.3 Ų135.379%0.79174%0.741SS**  102.6132117.8-75.8171.8000122
76E29.6Very low37.8Very low150 Ų150137.9 Ų137.970%0.70175%0.745SS**  trans76.4125141.6-60.5-101.3105.500121.2
77L35.9Very low37.5Very low142 Ų142137.5 Ų137.574%0.74375%0.749SS**  trans52150.9136.7-83.285000120.6
78S37.3Very low37.7Very low77 Ų77130.5 Ų130.554%0.53874%0.737SS.*  cis-163177.2-2.747.40000111.5
79E37.6Very low37.8Very low161 Ų161135.4 Ų135.475%0.75275%0.747SS**  trans66.3103.2144.8-75.3158.3121.200122.4
80S35.1Very low37.7Very low105 Ų105132.5 Ų132.573%0.73474%0.74SS**  43.4105.5101-51.70000120.5
81K38.7Very low37.5Very low197 Ų197128 Ų12886%0.85773%0.734SS**  trans162.3113.6130.2-89.6155.6-176.1166.30108.8
82S38.3Very low37.5Very low93 Ų93129.7 Ų129.765%0.6574%0.736SS**  84.5132.663.7810000115.2
83K39.3Very low37.2Very low185 Ų185127.6 Ų127.680%0.80473%0.734SS**  trans88.5145.9149.8-74.7-179.8175.4178.50120.9
84T34.5Very low37Very low126 Ų126124.2 Ų124.277%0.77373%0.733SS**  trans72.6142.5143.744.10000118.7
85S37.3Very low37.2Very low86 Ų86124.6 Ų124.660%0.60173%0.731SS**  cis-178.9-178.3-14.543.40000110
86L42.6Very low37Very low165 Ų165125.8 Ų125.886%0.86473%0.733SS**  trans78136.4167.7-40.4176.8000113
87G34Very low37.2Very low70 Ų70125.9 Ų125.972%0.72274%0.738SS**  cis112.4145.919.400000109.4
88S41.7Very low37.1Very low95 Ų95124.5 Ų124.566%0.66474%0.74SS**  cis-167.9157.24.9-48.10000111.2
89K39Very low37.3Very low197 Ų197126.3 Ų126.386%0.85775%0.75SS**  trans66158.8150.5-60.4157.3-176.2-178.30116.9
90S41.4Very low36.9Very low100 Ų100124.1 Ų124.170%0.69975%0.752SS**  cis-151.4141.913.4-20.60000109.8
91S36.3Very low37Very low110 Ų110127.6 Ų127.677%0.76976%0.759SS**  48.3142.2106.973.30000116.5
92S38.6Very low36.6Very low100 Ų100122.1 Ų122.170%0.69975%0.745SS**  cis-173.9125.729.727.70000107.8
93S34.9Very low36.1Very low109 Ų109127 Ų12776%0.76276%0.755SS**  83138.577.876.30000117.2
94S34.5Very low35.7Very low113 Ų113124.3 Ų124.379%0.7976%0.76SS**  trans77.2146.2156.9-130.20000117.3
95S37Very low35.3Very low84 Ų84128.5 Ų128.559%0.58777%0.768SS**  cis-167.8145-4.414.80000113.3
96Q33Very low35Very low176 Ų176128.5 Ų128.582%0.82277%0.773SS**  trans65.4161.7136.1-63.8178-25.600123.1
97L35Very low34.4Very low153 Ų153126 Ų12680%0.80177%0.769SS**  trans83.591.9160.4-49.9-173.5000118.1
98S33.5Very low34.1Very low113 Ų113131.7 Ų131.779%0.7978%0.777SS**  trans-70.4157.114050.40000110.3
99P40.8Very low33.6Very low115 Ų115132 Ų13275%0.74779%0.786SS**  trans-128.2136134.134.7-26.9000111.9
100S29.6Very low33.1Very low114 Ų114131.2 Ų131.280%0.79778%0.782SS**  trans-61.3133.7158.750.60000110.3
101M36.8Very low32.5Very low178 Ų178135.5 Ų135.588%0.87779%0.789SS**  trans-135.3132.6152.9-80-145.570.300111.6
102S30.8Very low32.1Very low82 Ų82132.4 Ų132.457%0.57377%0.767SS**  trans-89.5156.6-171.213.90000112.8
103F27.8Very low31.8Very low196 Ų196133 Ų13386%0.8677%0.771SS**  trans12.2135152.5-24-66.7000119.3
104S30.9Very low31.6Very low129 Ų129131.9 Ų131.990%0.90277%0.768SS**  -160.6158.1121-87.60000113.8
105F26.6Very low31.3Very low213 Ų213135.6 Ų135.693%0.93477%0.773SS**  trans-82.3-172.6-172-127.8-111.3000113.2
106A29.7Very low31Very low86 Ų86140.7 Ų140.771%0.71179%0.788SS**  trans89.8140.2168.900000115.9
107S30.6Very low30.9Very low113 Ų113135.5 Ų135.579%0.7978%0.781SS**  cis-160.1167.9-4.735.30000111.8
108E28.1Very low30.8Very low189 Ų189136.2 Ų136.288%0.88379%0.786SS**  trans-60.2155-179.7-59.1149.3101.100114.9
109A30.8Very low30.6Very low103 Ų103135 Ų13585%0.85178%0.783SS**  trans-155.1104.5139.400000110.2
110K27.9Very low30.2Very low180 Ų180136 Ų13678%0.78379%0.786SS**  trans-82.4151.6155.3-73.1178.8175.4179.50108.3
111F29.7Very low30.3Very low190 Ų190137.6 Ų137.683%0.83378%0.782SS**  trans-142.1138.6154.6-128.5-82.6000110.7
112S28.4Very low29.9Very low45 Ų45136 Ų13632%0.31577%0.772SS.*  trans-141.5143-178.541.80000112D687S112-D687 WeakPolarHBondContact CB-OD1 3.45Å; S112-D687 WeakPolarHBondContact CB-OD2 3.17Å; S112-D687 PolarHBondContact OG-OD2 3.39Å
113S32.2Very low30Very low112 Ų112139.9 Ų139.978%0.78379%0.786SS**  trans-175.6126.2159.4-76.20000105.1
114A29.5Very low30.1Very low85 Ų85135.4 Ų135.470%0.70279%0.785SS**  cis106.6127.335.700000110.5
115E29.5Very low30.3Very low191 Ų191134.8 Ų134.889%0.89378%0.781SS**  trans64.7149.9168.4-50.4-172.5141.100115.9
116E30.2Very low30.5Very low191 Ų191129.9 Ų129.989%0.89377%0.773SS**  cis-124.5157.5-4.3-64.2175.5106.100107.1
117G30.9Very low30.6Very low67 Ų67135.9 Ų135.969%0.69178%0.783SS**  cis94.979.548.700000111.9
118N33.2Very low30.8Very low169 Ų169137.4 Ų137.490%0.90478%0.783SS**  trans-167.2141.9139.4-116.8-40.4000114.5
119A28.3Very low31.1Very low88 Ų88131.8 Ų131.873%0.72777%0.769SS**  trans-115.4127.6173.400000110.1
120V33.9Very low31.3Very low134 Ų134131.6 Ų131.681%0.81276%0.757SS**  trans-147.988165.5179.50000104.3
121Q30.8Very low31.8Very low149 Ų149130 Ų13070%0.69675%0.753SS**  48.4110.575.7-163.71693.400113.8
122E28Very low32.4Very low145 Ų145126.2 Ų126.268%0.67875%0.747SS**  trans59.6121.9157.5-70.2164.9-138.800119.2
123N32.7Very low32.8Very low162 Ų162127.6 Ų127.687%0.86676%0.757SS**  -153.4106.3104.6-93-55.3000110
124A30.2Very low33.4Very low102 Ų102131.9 Ų131.984%0.84376%0.761SS**  trans-76.5127161.900000108.8
125S34.4Very low34Very low116 Ų116132.9 Ų132.981%0.81177%0.769SS**  trans-127.985.3165.664.60000109.4
126S31.6Very low34.6Very low110 Ų110127 Ų12777%0.76976%0.76SS**  trans-60.2140.3162.251.30000110.4
127F32Very low35.4Very low212 Ų212125.9 Ų125.993%0.9376%0.76SS**  trans-134.7121151.6-133.4-88000109.7
128D34.5Very low35.6Very low146 Ų146126.5 Ų126.578%0.78177%0.766SS**  trans-99.9-178178-175.522000109.3
129A35Very low36.1Very low71 Ų71126.9 Ų126.959%0.58777%0.768SS**  trans93.9142.1167.500000118.2
130T34.9Very low37Very low99 Ų99133.4 Ų133.461%0.60777%0.773SS**  cis-161.8151.6-21.8-77.80000108
131E38.9Very low37.7Very low146 Ų146135.5 Ų135.568%0.68278%0.776SS**  trans-27.5156.6155.5-86.2-83.4149.600117.1S133E131-S133 PolarHBondContact OE2-N 2.82Å
132P40.6Very low38.7Very low111 Ų111137.2 Ų137.272%0.72178%0.782SS**  -152.1117.4100.635.7-15.9000118.3
133S37Very low40Very low74 Ų74137.1 Ų137.152%0.51778%0.784SS.*  74137.211292.30000123.1E131E131-S133 PolarHBondContact OE2-N 2.82Å
134K45.2Very low41Very low201 Ų201139 Ų13987%0.87478%0.784SS**  trans67135.1150-64.9166.2-177.7172.50116.5
135A41.7Very low42Very low106 Ų106142.4 Ų142.488%0.87679%0.785SS**  cis-156.91732000000111.6
136G41.8Very low42.6Very low67 Ų67146 Ų14669%0.69179%0.786SS**  trans135.780.8159.500000117.6
137N47.5Very low43.5Very low169 Ų169150.6 Ų150.690%0.90479%0.792SS**  trans47.2103.3147.9-58.6-4.1000119.5
138G35.8Very low44Very low79 Ų79148.8 Ų148.881%0.81479%0.789SS**  trans-87.414417400000115.1
139L43.9Very low44.5Very low178 Ų178146 Ų14693%0.93279%0.786SS**  trans-100.6102.9162.9-80.4159.8000109.3M141L139-M141 PolarHBondContact O-N 2.76Å
140R46.3Very low45.2Very low224 Ų224149.1 Ų149.185%0.84580%0.798SS**  trans-90.491.3173.1-76.917971.6-170.77.5110.9K142R140-K142 PolarHBondContact O-N 3.28Å
141M49.4Very low45.9Very low178 Ų178155 Ų15588%0.87781%0.809SS**  trans-69.4121.1162.2-86.6-175162.800110.3L139L139-M141 PolarHBondContact O-N 2.76Å
142K51.6Low46.2Very low186 Ų186157.3 Ų157.381%0.80982%0.82SS**  trans-93.495.1170.4-75.5-179.8175.9175.40109.7R140 K144R140-K142 PolarHBondContact O-N 3.28Å; K142-K144 PolarHBondContact O-N 2.57Å
143I54.8Low46.4Very low142 Ų142157 Ų15773%0.72882%0.82SS**  trans-84.2105.4167.9-59.3177.6000108.3M145I143-M145 HydrophobicContact CG2-CG 4.44Å; I143-M145 PolarHBondContact O-N 2.97Å
144K53.1Low46.4Very low201 Ų201158.3 Ų158.387%0.87484%0.836SS**  trans-84.393.9174.5-175.8177.6-179.5179.40109K142 K146K142-K144 PolarHBondContact O-N 2.57Å; K144-K146 PolarHBondContact O-N 3.39Å
145M51.8Low46.3Very low174 Ų174153.6 Ų153.686%0.85783%0.834SS**  trans-64.5119.9172.5-65.7-168.8-174.900110.1I143I143-M145 HydrophobicContact CG2-CG 4.44Å; I143-M145 PolarHBondContact O-N 2.97Å
146K47.7Very low46.4Very low193 Ų193159.6 Ų159.684%0.83983%0.834SS**  trans-83114.2174.4-165.2176.7-177.1-176.90107.8K144 M148K144-K146 PolarHBondContact O-N 3.39Å; K146-M148 PolarHBondContact O-N 2.82Å
147K50Low46.5Very low205 Ų205165 Ų16589%0.89184%0.841SS**  trans-62.2103.4178.7-178.6176.4-178.8174.90109.8
148M43.4Very low46.3Very low174 Ų174165 Ų16586%0.85784%0.835SS**  trans-84.6133.4167.5-67.6-142.4-8100109.5K146K146-M148 PolarHBondContact O-N 2.82Å
149A43.9Very low46.7Very low88 Ų88167.6 Ų167.673%0.72784%0.835SS**  trans-87.3123.9-176.400000110.5R151A149-R151 PolarHBondContact O-N 3.47Å; A149-R151 VanDerWaalsContact O-N 3.09Å
150T49.4Very low47Very low136 Ų136165.1 Ų165.183%0.83483%0.828SS**  trans-66.5106.1171.5-47.70000109.5Q152T150-Q152 PolarHBondContact O-N 2.7Å
151R50Low46.5Very low224 Ų224158.6 Ų158.685%0.84582%0.816SS**  trans-71.8108.6168.3-70.8175.471.3-171.83.2108.4A149 S153A149-R151 PolarHBondContact O-N 3.47Å; A149-R151 VanDerWaalsContact O-N 3.09Å; R151-S153 PolarHBondContact O-N 3.37Å
152Q46.2Very low46.3Very low193 Ų193157.3 Ų157.390%0.90281%0.812SS**  trans-70122.3161.6-77.4-179.6-2400108.6T150T150-Q152 PolarHBondContact O-N 2.7Å
153S44.1Very low45.6Very low104 Ų104155 Ų15573%0.72781%0.808SS**  trans-116.690.9170.3-65.90000108.4R151 A155R151-S153 PolarHBondContact O-N 3.37Å; S153-A155 PolarHBondContact O-N 3.12Å
154A37.6Very low45.4Very low102 Ų102154.7 Ų154.784%0.84381%0.813SS**  trans-79.4108.6174.600000109.9
155A41.4Very low44.9Very low102 Ų102152 Ų15284%0.84381%0.808SS**  trans-91.1109169.500000109.5S153S153-A155 PolarHBondContact O-N 3.12Å
156R44.8Very low44.3Very low233 Ų233148.7 Ų148.788%0.87981%0.808SS**  trans-93137.4164.8-77.3175.7152.1-177-8.3108.4
157H43.5Very low43.9Very low181 Ų181143.4 Ų143.484%0.83881%0.808SS**  trans-134.9150.5154.7-99.9-79.1000110.1
158E43.1Very low43.4Very low167 Ų167140.3 Ų140.378%0.7881%0.807SS**  trans-72.4149.9-164.4-64.9156.9108.700113.7
159V43.9Very low43.4Very low134 Ų134136.7 Ų136.781%0.81280%0.799SS**  trans-108.9110.2152.9178.60000106.6
160V50.6Low43.1Very low127 Ų127144.1 Ų144.177%0.7781%0.808SS**  trans-70138.5171.81790000108.6
161S36Very low42.6Very low86 Ų86141.4 Ų141.460%0.60181%0.807SS**  trans-134.7174.1176.8-680000110.1
162L44.8Very low42Very low151 Ų151134.9 Ų134.979%0.79181%0.809SS**  trans76.7146.4173.8-36.8-178000114.7
163D38.2Very low41.8Very low137 Ų137133.5 Ų133.573%0.73380%0.803SS**  cis-174.8135.7-23.5-95.8-27000106
164V50.5Low41.7Very low136 Ų136137.7 Ų137.782%0.82481%0.808SS**  trans-150.7104.4160.3-174.10000112.6
165D42.9Very low42.1Very low146 Ų146143.1 Ų143.178%0.78181%0.807SS**  trans41.4117.1139.8-58.6-53.3000124.9
166A37.9Very low42.2Very low103 Ų103147.2 Ų147.285%0.85181%0.805SS**  10.7134.1127.400000121.6
167G40.9Very low42.3Very low82 Ų82142.8 Ų142.885%0.84580%0.804SS**  trans-175.1108.216400000115.1
168T38.7Very low42.3Very low141 Ų141137.9 Ų137.987%0.86580%0.802SS**  trans-73.2150.8179.547.60000115.4
169S42.8Very low42.4Very low97 Ų97134.9 Ų134.968%0.67880%0.8SS**  133.5116123.2-174.80000118.8
170R38.9Very low42.6Very low245 Ų245138.1 Ų138.193%0.92580%0.797SS**  trans47.8136.7136.3-62175.8159.9178.9-5.5123.4
171G37.9Very low42.3Very low79 Ų79138.6 Ų138.681%0.81479%0.789SS**  trans132.6123160.100000110.5
172G38.1Very low42.5Very low86 Ų86143.9 Ų143.989%0.88780%0.796SS**  cis84.9119.849.700000108.2
173E42.4Very low42.4Very low165 Ų165142.4 Ų142.477%0.77179%0.793SS**  cis-163.7164.642.1-178.4172.5122.800112.6R175E173-R175 IonicContact OE1-CZ 2.82Å; E173-R175 IonicContact OE1-NH1 3.7Å; E173-R175 PolarHBondContact OE1-NH1 3.08Å
174K40.4Very low42.4Very low191 Ų191143 Ų14383%0.8379%0.793SS**  trans-87.1155.3175.9-66.1173.3174.7171.80113.8
175R47.6Very low41.8Very low217 Ų217142.9 Ų142.982%0.81979%0.788SS**  trans179.7134.8138.5-97.6142.3168.7158-8.2109.9E173E173-R175 IonicContact OE1-CZ 2.82Å; E173-R175 IonicContact OE1-NH1 3.7Å; E173-R175 PolarHBondContact OE1-NH1 3.08Å
176K42.7Very low41.6Very low187 Ų187146.8 Ų146.881%0.81379%0.792SS**  cis109.9144.814.7-166.3174.9-175.5178.10113.4
177T47.7Very low41.8Very low141 Ų141147.4 Ų147.487%0.86579%0.79SS**  trans83145.8177.877.10000115
178G43.5Very low42Very low77 Ų77148.8 Ų148.879%0.79478%0.784SS**  cis-175.9-167.6-300000110.1
179S43.8Very low41.9Very low104 Ų104147.8 Ų147.873%0.72778%0.782SS**  cis-171127.5-7.6-160.70000113.5
180R48.3Very low41.8Very low202 Ų202146 Ų14676%0.76278%0.78SS**  trans67.1131.9141-76.5177.4170.3178.6-0.1124.8
181K43.7Very low42.2Very low137 Ų137141 Ų14160%0.59678%0.777SS**  trans76.2155.7130.2-69.3-177.9175.5179.80118.5
182R42.1Very low42.2Very low197 Ų197142.6 Ų142.674%0.74378%0.775SS**  cis-166.6157-1.7-120.6179.4-174.2166.9-3.3112.7
183V41.1Very low42Very low120 Ų120148.2 Ų148.273%0.72778%0.776SS**  trans75.7135.2139.2166.40000121.6
184M39.3Very low42Very low151 Ų151143.8 Ų143.874%0.74477%0.767SS**  trans-76157.4173.4-45.482.2163.600113.7
185N36.4Very low42Very low133 Ų133139 Ų13971%0.71176%0.763SS**  165.8146.2105.7-95.4-40.7000115.4
186R39.6Very low41.2Very low228 Ų228133.4 Ų133.486%0.8676%0.757SS**  trans68.5120.1148.8-65.8163.6-172.7-139.3-0.6120.1
187S41.2Very low40.8Very low116 Ų116132.3 Ų132.381%0.81175%0.754SS**  trans-66.3164.5158.9-36.70000111.6
188P46.2Very low40.1Very low111 Ų111136.3 Ų136.372%0.72175%0.754SS**  -152.8167.679.140.8-21.8000118.2
189S36.2Very low39.7Very low119 Ų119137.9 Ų137.983%0.83275%0.752SS**  trans48.7126.1144.662.80000123.5
190G41.4Very low39.7Very low61 Ų61138.6 Ų138.663%0.62975%0.752SS**  trans149.995156.800000111.4
191T46.3Very low39.1Very low140 Ų140136 Ų13686%0.85975%0.753SS**  49.8127.782.468.30000113.3
192S37.9Very low39Very low111 Ų111135.6 Ų135.678%0.77675%0.753SS**  cis-167.6-178.910.358.20000111.3
193F33.4Very low38.7Very low204 Ų204132.3 Ų132.390%0.89574%0.741SS**  trans72.2131.6161.1-169.4-93.2000115.6
194A43.3Very low38.8Very low72 Ų72132.9 Ų132.960%0.59574%0.739SS**  cis-155.11686.400000108.6
195A40.2Very low39.1Very low90 Ų90130.1 Ų130.174%0.74472%0.723SS**  cis-157.2157.2-11.300000110
196C31.1Very low39.8Very low101 Ų101131 Ų13168%0.68272%0.721SS**  trans34.1109.3145-88.70000119.6
197E34.4Very low40Very low164 Ų164125.3 Ų125.377%0.76671%0.713SS**  90.6113.784.3-84.2-177.7166.900112
198R33.1Very low39.8Very low225 Ų225128.4 Ų128.485%0.84971%0.707SS**  68.9139.586.4-96.9-173174.8-128.1-0.4113.5
199S35.3Very low39.6Very low109 Ų109135 Ų13576%0.76272%0.717SS**  trans78.1140.9178.2-410000113
200T42.8Very low39.8Very low120 Ų120132 Ų13274%0.73670%0.697SS**  cis-164.1150-4.28.30000109
201L36.3Very low39.6Very low148 Ų148135.7 Ų135.778%0.77571%0.707SS**  trans22.3114.2145.2-60.7168.3000118.9
202Q42.4Very low39Very low128 Ų128139.9 Ų139.960%0.59871%0.707SS**  169.6114.3128.1-91.1150.7110.300109
203R34.2Very low38.9Very low127 Ų127140.4 Ų140.448%0.47971%0.71SS.*  59.482.894.1-63.317791.8179.90.2113.2E755 K757R203-E755 HydrophobicContact CB-CG 4.34Å; R203-E755 WeakPolarHBondContact CB-OE1 3.47Å; R203-E755 WeakPolarHBondContact CG-OE1 3.41Å; R203-E755 IonicContact CZ-OE1 2.78Å; R203-E755 IonicContact NE-OE1 2.71Å; R203-E755 PolarHBondContact NE-OE1 3.14Å; R203-E755 IonicContact NH2-OE1 3.19Å; R203-E755 PolarHBondContact NH2-OE1 3.09Å; R203-E755 IonicContact NH2-OE2 3.87Å; R203-K757 VanDerWaalsContact CZ-CA 3.46Å; R203-K757 VanDerWaalsContact CZ-OXT 3.23Å; R203-K757 VanDerWaalsContact NH1-CA 3.29Å; R203-K757 PolarHBondContact NH1-O 3.21Å; R203-K757 PolarHBondContact NH2-O 3.37Å; R203-K757 PolarHBondContact NH2-OXT 2.9Å
204L43.8Very low39.3Very low133 Ų133134.8 Ų134.870%0.69670%0.696SS**  trans-177.562.9165-112.7124.4000106.4E755L204-E755 WeakPolarHBondContact CD1-O 3.49Å; L204-E755 WeakPolarHBondContact CG-O 3.5Å
205K46.5Very low39Very low92 Ų92138.7 Ų138.740%0.471%0.706SS.*  74.9121.670-121.7-107.6-128.693.10107.4A753 E754 E755K205-A753 WeakPolarHBondContact CE-O 2.82Å; K205-A753 PolarHBondContact NZ-O 3.19Å; K205-E754 VanDerWaalsContact C-CD 3.45Å; K205-E754 WeakPolarHBondContact CA-OE1 3.19Å; K205-E754 HydrophobicContact CB-CB 3.68Å; K205-E754 HydrophobicContact CB-CG 4.25Å; K205-E754 WeakPolarHBondContact CB-OE1 3.08Å; K205-E754 HydrophobicContact CD-CB 3.85Å; K205-E754 HydrophobicContact CD-CG 3.78Å; K205-E754 WeakPolarHBondContact CD-OE1 3.38Å; K205-E754 HydrophobicContact CG-CB 4.28Å; K205-E754 HydrophobicContact CG-CG 4.49Å; K205-E754 WeakPolarHBondContact CG-OE1 3.25Å; K205-E755 HydrophobicContact CB-CB 3.57Å; K205-E755 HydrophobicContact CD-CB 3.78Å; K205-E755 WeakPolarHBondContact CE-OE2 3.45Å; K205-E755 HydrophobicContact CG-CB 3.47Å; K205-E755 VanDerWaalsContact CG-CB 3.47Å; K205-E755 HydrophobicContact CG-CG 4.33Å; K205-E755 IonicContact NZ-OE2 2.59Å; K205-E755 PolarHBondContact NZ-OE2 3.24Å
206K50.2Low39Very low153 Ų153141.9 Ų141.967%0.66571%0.711SS**  trans-62157-154.7-37.3154.7-169.7155.30118.6E752 E754K206-E752 WeakPolarHBondContact O-CG 3.45Å; K206-E754 WeakPolarHBondContact CB-OE2 3.33Å; K206-E754 WeakPolarHBondContact CD-OE2 3.36Å; K206-E754 PolarHBondContact N-OE1 3.02Å; K206-E754 WeakPolarHBondContact O-CG 3.34Å
207P43Very low39.5Very low108 Ų108147.3 Ų147.370%0.70172%0.717SS**  trans-97.7129.3167.935.6-31.9000116.7R209 E752P207-R209 PolarHBondContact O-N 2.77Å; P207-E752 WeakPolarHBondContact CA-OE1 3.48Å; P207-E752 WeakPolarHBondContact CB-OE1 3.19Å
208R36.8Very low39.9Very low180 Ų180146.7 Ų146.768%0.67972%0.724SS**  trans-85.3103.7167.7-74175.690.9173.1-5.1110.5S210 G751R208-S210 PolarHBondContact O-N 2.88Å; R208-S210 VanDerWaalsContact O-N 3.14Å; R208-G751 WeakPolarHBondContact CB-O 3.35Å; R208-G751 WeakPolarHBondContact CD-O 3.5Å; R208-G751 VanDerWaalsContact CG-O 3.23Å; R208-G751 WeakPolarHBondContact CG-O 3.44Å
209R43.9Very low40.3Very low249 Ų249140.8 Ų140.894%0.9472%0.718SS**  trans-71.3107.2174-127.8178.1-159170.27.3111P207P207-R209 PolarHBondContact O-N 2.77Å
210S39.5Very low40.6Very low58 Ų58140 Ų14041%0.40672%0.717SS.*  trans-73.5135.9174.7-175.60000111.8R208 R212 V749R208-S210 PolarHBondContact O-N 2.88Å; R208-S210 VanDerWaalsContact O-N 3.14Å; S210-R212 PolarHBondContact O-N 3.18Å; S210-V749 WeakPolarHBondContact OG-CG2 2.81Å
211T37.7Very low41Very low137 Ų137141.6 Ų141.684%0.8472%0.72SS**  trans-67.4107.9171.945.30000111
212R32.5Very low41.4Very low228 Ų228139.5 Ų139.586%0.8672%0.717SS**  trans-13584161.2-176-173-85.8-161.7-3.9107.3S210S210-R212 PolarHBondContact O-N 3.18Å
213C37.3Very low41.4Very low123 Ų123139.6 Ų139.683%0.83173%0.727SS**PPolyproline II helixtrans-96.9118.1174.3-74.40000109.3
214S41.1Very low42.2Very low86 Ų86138.8 Ų138.860%0.60174%0.737SS**PPolyproline II helixtrans-62.9140172500000111.3
215N36.1Very low42.1Very low153 Ų153136.4 Ų136.482%0.81874%0.737SS**SBendtrans-52150.9159-54-10.6000109.2
216N42.1Very low41.8Very low158 Ų158140 Ų14085%0.84576%0.756SS**  trans71.964.8-167.9-61.78.6000115.6
217R39.9Very low41.5Very low215 Ų215140.3 Ų140.381%0.81176%0.764SS**  trans-135.1110.2141.4-71.6-165.8175.4-179.9-2.4110.1S219R217-S219 PolarHBondContact O-N 3.07Å; R217-S219 VanDerWaalsContact O-N 3.12Å
218V42.7Very low41.3Very low150 Ų150138.1 Ų138.191%0.90976%0.762SS**  trans-57.2114.7162.5175.60000106.4A220V218-A220 PolarHBondContact O-N 3.17Å
219S42.5Very low41.7Very low102 Ų102138.8 Ų138.871%0.71377%0.772SS**  trans-83.1105.4178-59.80000106.9R217 I221R217-S219 PolarHBondContact O-N 3.07Å; R217-S219 VanDerWaalsContact O-N 3.12Å; S219-I221 PolarHBondContact O-N 3.19Å; S219-I221 VanDerWaalsContact O-N 3.12Å
220A41.3Very low42Very low91 Ų91132 Ų13275%0.75276%0.761SS**  trans-53.9121.417200000108.6V218 S222V218-A220 PolarHBondContact O-N 3.17Å; A220-S222 VanDerWaalsContact C-N 3.26Å; A220-S222 PolarHBondContact O-N 3.37Å
221I50.9Low42.5Very low155 Ų155134.5 Ų134.580%0.79577%0.77SS**  trans-70.691.6173.7-60.4174.4000106.1S219 V223S219-I221 PolarHBondContact O-N 3.19Å; S219-I221 VanDerWaalsContact O-N 3.12Å; I221-V223 PolarHBondContact O-N 3.47Å; I221-V223 VanDerWaalsContact O-N 3.07Å
222S44.1Very low43.6Very low103 Ų103132.8 Ų132.872%0.7277%0.77SS**  trans-62.9111.5168.158.30000107.4A220 P224A220-S222 VanDerWaalsContact C-N 3.26Å; A220-S222 PolarHBondContact O-N 3.37Å; S222-P224 WeakPolarHBondContact O-CD 3.48Å
223V43.9Very low45.1Very low131 Ų131124 Ų12479%0.79474%0.744SS**  trans-48.5111.2172.4-179.60000108I221I221-V223 PolarHBondContact O-N 3.47Å; I221-V223 VanDerWaalsContact O-N 3.07Å
224P50.1Low46.8Very low109 Ų109125.5 Ų125.571%0.70874%0.739SS**  trans-72.5134.6168.731.3-29.3000106.7S222S222-P224 WeakPolarHBondContact O-CD 3.48Å
225A41.9Very low48.5Very low84 Ų84127.6 Ų127.669%0.69475%0.75SS**  trans-52.6153.5178.200000111.5
226E39.4Very low50.7Low168 Ų168124.4 Ų124.479%0.78575%0.753SS**SBendtrans-38.6150.2162.164.2-143.116500112.9
227N43.8Very low52.4Low159 Ų159120.5 Ų120.585%0.8574%0.735SS**  trans83.471.3179-40.1-41.8000115.5
228G40.6Very low54.4Low62 Ų62115 Ų11564%0.63974%0.736SS**  trans-160.885.2172.400000115.2C230G228-C230 PolarHBondContact O-N 2.81Å
229Q44.1Very low56.4Low194 Ų194111 Ų11191%0.90771%0.711SS**  trans-67.173.7161.6-92.980.3-7.100110.7
230C49.8Very low58.5Low105 Ų105113 Ų11371%0.70972%0.719SS**  trans-165.1130.5166.3-113.40000107.8G228G228-C230 PolarHBondContact O-N 2.81Å
231N50.8Low60.9Low111 Ų111111.9 Ų111.959%0.59470%0.7SS**  cis-151.1138.71.425.9-89.4000106.4S233 R261N231-S233 PolarHBondContact O-N 3.49Å; N231-S233 VanDerWaalsContact O-N 3.12Å; N231-R261 PolarHBondContact O-NH2 3.24Å; N231-R261 VanDerWaalsContact O-NH2 3.08Å
232A59.9Low62.7Low102 Ų102113 Ų11384%0.84370%0.702SS**PPolyproline II helixtrans-56.1121.5174.700000108.2E234A232-E234 PolarHBondContact O-N 3.2Å
233S65.5Low64.9Low43 Ų43109.8 Ų109.830%0.30169%0.685SS.*PPolyproline II helixtrans-62.5131.3178.1-61.30000108.2N231 R261N231-S233 PolarHBondContact O-N 3.49Å; N231-S233 VanDerWaalsContact O-N 3.12Å; S233-R261 PolarHBondContact OG-NH1 3.09Å
234E71.8Confident67.1Low155 Ų155107.9 Ų107.972%0.72467%0.673SS**PPolyproline II helixtrans-56.7130.3-178.5-170.7174.2179.900109.5A232 G236 T237A232-E234 PolarHBondContact O-N 3.2Å; E234-G236 PolarHBondContact O-N 3.22Å; E234-T237 WeakPolarHBondContact O-CB 3.48Å; E234-T237 PolarHBondContact O-N 2.84Å; E234-T237 PolarHBondContact O-OG1 3.17Å
235P77.4Confident69.1Low130 Ų130106.7 Ų106.784%0.84466%0.661SS**THydrogen-bonded Turntrans-53.3124.1178.6-26.935.2000110.8
236G81.7Confident71.5Confident85 Ų85106.7 Ų106.788%0.87664%0.643SS**THydrogen-bonded Turntrans103.3-7.2-17100000114.8E234 A238E234-G236 PolarHBondContact O-N 3.22Å; G236-A238 PolarHBondContact O-N 3.44Å
237T79.1Confident73.9Confident77 Ų77102 Ų10247%0.47262%0.62SS.*  trans-63.4115.8166.5-54.70000109.5E234 V239E234-T237 WeakPolarHBondContact O-CB 3.48Å; E234-T237 PolarHBondContact O-N 2.84Å; E234-T237 PolarHBondContact O-OG1 3.17Å; T237-V239 PolarHBondContact O-N 3.28Å
238A81.9Confident76.1Confident100 Ų100101.1 Ų101.183%0.82661%0.61SS**  trans-67.4120.3173.400000110.3G236G236-A238 PolarHBondContact O-N 3.44Å
239V83.9Confident78.3Confident64 Ų6499.9 Ų99.939%0.38859%0.59SS.*  trans-114.2125.4176.7-168.90000108.6T237 L241 W260T237-V239 PolarHBondContact O-N 3.28Å; V239-L241 HydrophobicContact CB-CG 4.36Å; V239-L241 HydrophobicContact CG1-CD1 4.45Å; V239-L241 HydrophobicContact CG1-CD2 3.54Å; V239-L241 HydrophobicContact CG1-CG 3.83Å; V239-W260 HydrophobicContact CG2-CZ2 4.16Å
240V87.6Confident80.3Confident145 Ų14596.2 Ų96.288%0.87959%0.587SS**  trans-84.5120169.4-177.90000107.2
241L89.8Confident81.8Confident68 Ų6896.2 Ų96.236%0.35658%0.579SS.*  trans-122.5138.6-179-61.4173.4000109.5V239 V258 W260V239-L241 HydrophobicContact CB-CG 4.36Å; V239-L241 HydrophobicContact CG1-CD1 4.45Å; V239-L241 HydrophobicContact CG1-CD2 3.54Å; V239-L241 HydrophobicContact CG1-CG 3.83Å; L241-V258 HydrophobicContact CB-CG1 3.47Å; L241-V258 VanDerWaalsContact CB-CG1 3.47Å; L241-V258 HydrophobicContact CD1-CG1 3.57Å; L241-V258 HydrophobicContact CG-CG1 4.09Å; L241-W260 HydrophobicContact CD1-CB 4.08Å; L241-W260 HydrophobicContact CD1-CG 4.14Å; L241-W260 HydrophobicContact CD2-CB 4.02Å; L241-W260 HydrophobicContact CD2-CG 3.79Å
242E89.1Confident83.4Confident179 Ų17991.9 Ų91.984%0.83656%0.561SS**  trans-80.5138.4168.3-168.9170.4177.700108.8
243G90.3Very high84.7Confident35 Ų3589 Ų8936%0.36153%0.531SS..EExtended strand (participates in β ladder)trans-134.4138.1-17900000110.6N257G243-N257 CarbonylContact C-O 3.59Å; G243-N257 VanDerWaalsContact CA-O 3.25Å; G243-N257 WeakPolarHBondContact CA-O 2.96Å
244V90.9Very high85.9Confident90 Ų9089.4 Ų89.455%0.54553%0.53SS..EExtended strand (participates in β ladder)trans-87.7120.6175.2-172.20000108.2W246 V256 N257V244-W246 PolarHBondContact O-N 3Å; V244-V256 WeakPolarHBondContact O-CA 2.88Å; V244-N257 PolarHBondContact N-O 3.26Å; V244-N257 PolarHBondContact O-N 2.86Å
245L92.3Very high86.8Confident84 Ų8483.3 Ų83.344%0.4450%0.503SS..EExtended strand (participates in β ladder)trans-71123.3170.2-179.365.3000109.2E248 L254 V256L245-E248 HydrophobicContact CD2-CB 4.43Å; L245-L254 HydrophobicContact CD1-CB 3.7Å; L245-L254 HydrophobicContact CD1-CD2 3.75Å; L245-L254 HydrophobicContact CD1-CG 4.23Å; L245-L254 HydrophobicContact CD2-CD2 4.17Å; L245-V256 HydrophobicContact CD1-CG2 4.09Å
246W91.7Very high87.6Confident84 Ų8477.7 Ų77.732%0.31847%0.466SS..EExtended strand (participates in β ladder)trans-101.6-39.7-177.3-76.411.7000113.1V244 V255 N257 V266 L469 V473V244-W246 PolarHBondContact O-N 3Å; W246-V255 HydrophobicContact CB-CB 4.49Å; W246-V255 HydrophobicContact CB-CG1 4.31Å; W246-V255 PolarHBondContact N-O 3.36Å; W246-N257 HydrophobicContact CD2-CB 4.01Å; W246-N257 HydrophobicContact CG-CB 4.47Å; W246-N257 HydrophobicContact CH2-CB 4.14Å; W246-N257 HydrophobicContact CZ2-CB 3.46Å; W246-N257 VanDerWaalsContact CZ2-CB 3.46Å; W246-N257 WeakPolarHBondContact CZ2-ND2 2.68Å; W246-V266 HydrophobicContact CE3-CG1 4.42Å; W246-V266 HydrophobicContact CE3-CG2 4.42Å; W246-V266 HydrophobicContact CH2-CG2 3.79Å; W246-V266 HydrophobicContact CZ3-CG1 4.38Å; W246-V266 HydrophobicContact CZ3-CG2 3.73Å; W246-L469 HydrophobicContact CE3-CD2 3.82Å; W246-L469 HydrophobicContact CZ3-CD2 4.07Å; W246-L469 HydrophobicContact CZ3-CG 4.28Å; W246-V473 HydrophobicContact CH2-CB 4.45Å; W246-V473 HydrophobicContact CH2-CG1 4.22Å; W246-V473 HydrophobicContact CH2-CG2 3.46Å; W246-V473 VanDerWaalsContact CH2-CG2 3.46Å; W246-V473 HydrophobicContact CZ2-CG2 4.4Å; W246-V473 HydrophobicContact CZ3-CG2 4.02Å
247K89.8Confident88.2Confident71 Ų7174.4 Ų74.431%0.30943%0.429SS..EExtended strand (participates in β ladder)trans-145.3125.9174.9-173.6172.3-176.71750109.4V255 E462K247-V255 HydrophobicContact CB-CB 4.19Å; K247-V255 HydrophobicContact CB-CG2 4.1Å; K247-V255 PolarHBondContact O-N 3.32Å; K247-E462 IonicContact NZ-OE1 2.76Å; K247-E462 PolarHBondContact NZ-OE1 3.23Å
248E90.7Very high88.8Confident139 Ų13971 Ų7165%0.6541%0.408SS*.EExtended strand (participates in β ladder)trans-95.1127.1159.4178.9166.6-158.800107.4L245 L254L245-E248 HydrophobicContact CD2-CB 4.43Å; E248-L254 HydrophobicContact CB-CD2 3.84Å; E248-L254 HydrophobicContact CG-CD2 3.68Å
249T85.4Confident89.3Confident36 Ų3670.3 Ų70.322%0.22139%0.393CS..  trans-97.7143.7178.4-50.40000108.5D251 G252 I253T249-D251 HydrophobicContact CG2-CB 4.38Å; T249-D251 PolarHBondContact O-N 3.28Å; T249-G252 PolarHBondContact O-N 3.3Å; T249-I253 PolarHBondContact N-O 3.12Å; T249-I253 PolarHBondContact OG1-O 2.88Å
250S86.4Confident89.7Confident118 Ų11871.2 Ų71.283%0.82539%0.39SS*.THydrogen-bonded Turntrans-47.5-29.8177.348.80000114.3G252S250-G252 VanDerWaalsContact C-N 3.32Å
251D82.1Confident89.8Confident104 Ų10471.2 Ų71.256%0.55637%0.374SS*.THydrogen-bonded Turntrans-80.7-13.7-174.5-570000112.2T249 Y275T249-D251 HydrophobicContact CG2-CB 4.38Å; T249-D251 PolarHBondContact O-N 3.28Å; D251-Y275 VanDerWaalsContact O-CZ 3.27Å; D251-Y275 PolarHBondContact O-OH 2.99Å
252G84.7Confident89.8Confident21 Ų2172 Ų7222%0.21640%0.399CS..SBendtrans105.610.8-174.900000116.5T249 S250 Y275T249-G252 PolarHBondContact O-N 3.3Å; S250-G252 VanDerWaalsContact C-N 3.32Å; G252-Y275 VanDerWaalsContact CA-OH 3.25Å; G252-Y275 WeakPolarHBondContact CA-OH 3.38Å; G252-Y275 PolarHBondContact N-OH 3.31Å
253I86.8Confident89.8Confident42 Ų4269.4 Ų69.422%0.21539%0.385CS..EExtended strand (participates in β ladder)trans-86.7124.6177.2-48.5-172.8000109.8T249 T268 L270 Y275T249-I253 PolarHBondContact N-O 3.12Å; T249-I253 PolarHBondContact OG1-O 2.88Å; I253-T268 HydrophobicContact CG2-CG2 4.02Å; I253-L270 HydrophobicContact CB-CD2 4.22Å; I253-L270 HydrophobicContact CD1-CD2 4.16Å; I253-L270 HydrophobicContact CG1-CD2 3.76Å; I253-L270 HydrophobicContact CG2-CD2 3.91Å; I253-Y275 HydrophobicContact CG1-CE2 4.28Å; I253-Y275 WeakPolarHBondContact CG1-OH 3.06Å; I253-Y275 PolarHBondContact N-OH 2.93Å
254L91.6Very high89.8Confident51 Ų5169.8 Ų69.827%0.26738%0.382SS..EExtended strand (participates in β ladder)trans-107.3113.3177.3-61.1177.9000110L245 E248 V256 T268 L269L245-L254 HydrophobicContact CD1-CB 3.7Å; L245-L254 HydrophobicContact CD1-CD2 3.75Å; L245-L254 HydrophobicContact CD1-CG 4.23Å; L245-L254 HydrophobicContact CD2-CD2 4.17Å; E248-L254 HydrophobicContact CB-CD2 3.84Å; E248-L254 HydrophobicContact CG-CD2 3.68Å; L254-V256 HydrophobicContact CB-CG2 4.36Å; L254-T268 CarbonylContact O-C 3.5Å; L254-T268 WeakPolarHBondContact O-CA 2.91Å; L254-L269 HydrophobicContact CB-CB 4.04Å; L254-L269 PolarHBondContact N-O 3.41Å; L254-L269 PolarHBondContact O-N 2.86Å
255V90.8Very high89.8Confident26 Ų2667.6 Ų67.616%0.15836%0.364CS..EExtended strand (participates in β ladder)trans-85.1115.4172.1-176.70000108.4W246 K247 V266 T268W246-V255 HydrophobicContact CB-CB 4.49Å; W246-V255 HydrophobicContact CB-CG1 4.31Å; W246-V255 PolarHBondContact N-O 3.36Å; K247-V255 HydrophobicContact CB-CB 4.19Å; K247-V255 HydrophobicContact CB-CG2 4.1Å; K247-V255 PolarHBondContact O-N 3.32Å; V255-V266 HydrophobicContact CG1-CG1 3.9Å; V255-T268 HydrophobicContact CG2-CG2 4.33Å
256V93.6Very high89.8Confident13 Ų1364.9 Ų64.98%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-120.6131.8-174.9-176.30000110.2V244 L245 L254 V258 V266 G267 L269 M565V244-V256 WeakPolarHBondContact O-CA 2.88Å; L245-V256 HydrophobicContact CD1-CG2 4.09Å; L254-V256 HydrophobicContact CB-CG2 4.36Å; V256-V258 HydrophobicContact CG1-CG2 3.93Å; V256-V266 WeakPolarHBondContact O-CA 2.97Å; V256-G267 PolarHBondContact N-O 3.45Å; V256-G267 PolarHBondContact O-N 3.33Å; V256-L269 HydrophobicContact CG2-CD1 3.9Å; V256-L269 HydrophobicContact CG2-CG 4.19Å; V256-M565 HydrophobicContact CB-CE 4.34Å; V256-M565 HydrophobicContact CG1-CE 4.21Å
257N93.1Very high89.8Confident16 Ų1661.1 Ų61.19%0.08634%0.338CS..EExtended strand (participates in β ladder)trans-99.1121.3166.9179.435.2000110.3G243 V244 W246 S264 Y265 V266G243-N257 CarbonylContact C-O 3.59Å; G243-N257 VanDerWaalsContact CA-O 3.25Å; G243-N257 WeakPolarHBondContact CA-O 2.96Å; V244-N257 PolarHBondContact N-O 3.26Å; V244-N257 PolarHBondContact O-N 2.86Å; W246-N257 HydrophobicContact CD2-CB 4.01Å; W246-N257 HydrophobicContact CG-CB 4.47Å; W246-N257 HydrophobicContact CH2-CB 4.14Å; W246-N257 HydrophobicContact CZ2-CB 3.46Å; W246-N257 VanDerWaalsContact CZ2-CB 3.46Å; W246-N257 WeakPolarHBondContact CZ2-ND2 2.68Å; N257-S264 WeakPolarHBondContact OD1-CB 3.07Å; N257-Y265 PolarHBondContact OD1-N 3.18Å; N257-V266 HydrophobicContact CB-CG2 4.19Å
258V93.2Very high89.8Confident5 Ų559.9 Ų59.93%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-110.7123.3-180-176.10000109.4L241 V256 Y265 M565L241-V258 HydrophobicContact CB-CG1 3.47Å; L241-V258 VanDerWaalsContact CB-CG1 3.47Å; L241-V258 HydrophobicContact CD1-CG1 3.57Å; L241-V258 HydrophobicContact CG-CG1 4.09Å; V256-V258 HydrophobicContact CG1-CG2 3.93Å; V258-Y265 PolarHBondContact N-O 2.82Å; V258-Y265 PolarHBondContact O-N 2.85Å; V258-M565 HydrophobicContact CG2-CE 3.7Å; V258-M565 HydrophobicContact CG2-SD 4.03Å
259T92Very high89.8Confident86 Ų8654.4 Ų54.453%0.52831%0.312SS..EExtended strand (participates in β ladder)trans-97.8121.4177.554.20000110.7K263T259-K263 WeakPolarHBondContact CA-O 3.11Å
260W91.3Very high89.8Confident82 Ų8253.4 Ų53.431%0.31131%0.305SS..EExtended strand (participates in β ladder)trans-141.1124.9178.4-172.851.7000111.7V239 L241 G262 K263 Y265V239-W260 HydrophobicContact CG2-CZ2 4.16Å; L241-W260 HydrophobicContact CD1-CB 4.08Å; L241-W260 HydrophobicContact CD1-CG 4.14Å; L241-W260 HydrophobicContact CD2-CB 4.02Å; L241-W260 HydrophobicContact CD2-CG 3.79Å; W260-G262 VanDerWaalsContact C-N 3.29Å; W260-G262 PolarHBondContact O-N 2.73Å; W260-K263 PolarHBondContact N-O 3.43Å; W260-K263 PolarHBondContact O-N 2.97Å; W260-Y265 HydrophobicContact CB-CD2 4.49Å; W260-Y265 HydrophobicContact CB-CE2 4.21Å; W260-Y265 HydrophobicContact CE3-CE2 4.48Å
261R89.5Confident89.4Confident145 Ų14550.1 Ų50.155%0.54728%0.278SS..THydrogen-bonded Turntrans49.646179.3-69.1178.4157.2142.2-11.6113.4N231 S233 K263N231-R261 PolarHBondContact O-NH2 3.24Å; N231-R261 VanDerWaalsContact O-NH2 3.08Å; S233-R261 PolarHBondContact OG-NH1 3.09Å; R261-K263 PolarHBondContact O-N 3.4Å
262G89.6Confident88.8Confident85 Ų8547.3 Ų47.388%0.87626%0.263SS*.THydrogen-bonded Turntrans74.62.6179.400000115.3W260W260-G262 VanDerWaalsContact C-N 3.29Å; W260-G262 PolarHBondContact O-N 2.73Å
263K89.6Confident88.1Confident125 Ų12551 Ų5154%0.54328%0.281SS..EExtended strand (participates in β ladder)trans-106.3135.4173.6-65-177.2176-171.90110.1T259 W260 R261 Y265T259-K263 WeakPolarHBondContact CA-O 3.11Å; W260-K263 PolarHBondContact N-O 3.43Å; W260-K263 PolarHBondContact O-N 2.97Å; R261-K263 PolarHBondContact O-N 3.4Å; K263-Y265 HydrophobicContact CB-CD2 4.31Å; K263-Y265 HydrophobicContact CB-CE2 3.55Å; K263-Y265 WeakPolarHBondContact CD-OH 3.23Å
264S90.1Very high87.2Confident42 Ų4255.2 Ų55.229%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-98.5127.2174-59.50000109.3N257N257-S264 WeakPolarHBondContact OD1-CB 3.07Å
265Y91.5Very high86.1Confident44 Ų4454 Ų5417%0.17329%0.292CS..EExtended strand (participates in β ladder)trans-118.8107.4-178-61.8-87.2000109.6N257 V258 W260 K263 F567 H569N257-Y265 PolarHBondContact OD1-N 3.18Å; V258-Y265 PolarHBondContact N-O 2.82Å; V258-Y265 PolarHBondContact O-N 2.85Å; W260-Y265 HydrophobicContact CB-CD2 4.49Å; W260-Y265 HydrophobicContact CB-CE2 4.21Å; W260-Y265 HydrophobicContact CE3-CE2 4.48Å; K263-Y265 HydrophobicContact CB-CD2 4.31Å; K263-Y265 HydrophobicContact CB-CE2 3.55Å; K263-Y265 WeakPolarHBondContact CD-OH 3.23Å; Y265-F567 VanDerWaalsContact CB-CE1 3.48Å; Y265-F567 HydrophobicContact CD1-CD1 4.45Å; Y265-F567 HydrophobicContact CG-CD1 4.35Å; Y265-F567 HydrophobicContact CG-CE1 4.34Å; Y265-H569 AromaticContact CE1-CE1 3.84Å; Y265-H569 AromaticContact CE1-NE2 3.57Å
266V91.6Very high84.6Confident27 Ų2760.7 Ų60.716%0.16433%0.327CS..EExtended strand (participates in β ladder)trans-86.3129.2172.9-1730000108.7W246 V255 V256 N257 F470W246-V266 HydrophobicContact CE3-CG1 4.42Å; W246-V266 HydrophobicContact CE3-CG2 4.42Å; W246-V266 HydrophobicContact CH2-CG2 3.79Å; W246-V266 HydrophobicContact CZ3-CG1 4.38Å; W246-V266 HydrophobicContact CZ3-CG2 3.73Å; V255-V266 HydrophobicContact CG1-CG1 3.9Å; V256-V266 WeakPolarHBondContact O-CA 2.97Å; N257-V266 HydrophobicContact CB-CG2 4.19Å; V266-F470 HydrophobicContact CG1-CE1 4.2Å
267G91.8Very high83.3Confident5 Ų567.4 Ų67.45%0.05235%0.351CS..EExtended strand (participates in β ladder)trans-148.4163.6177.500000111.8V256 N566V256-G267 PolarHBondContact N-O 3.45Å; V256-G267 PolarHBondContact O-N 3.33Å; G267-N566 VanDerWaalsContact CA-O 3.28Å; G267-N566 WeakPolarHBondContact CA-O 3.26Å
268T90.5Very high81.6Confident46 Ų4668.4 Ų68.428%0.28236%0.359SS..EExtended strand (participates in β ladder)trans-98.1136.417350.60000110.7I253 L254 V255I253-T268 HydrophobicContact CG2-CG2 4.02Å; L254-T268 CarbonylContact O-C 3.5Å; L254-T268 WeakPolarHBondContact O-CA 2.91Å; V255-T268 HydrophobicContact CG2-CG2 4.33Å
269L90.1Very high79.9Confident23 Ų2373.3 Ų73.312%0.1239%0.391CS..EExtended strand (participates in β ladder)trans-103.8137.5165-73.9-175.9000109.1L254 V256 L563 M565L254-L269 HydrophobicContact CB-CB 4.04Å; L254-L269 PolarHBondContact N-O 3.41Å; L254-L269 PolarHBondContact O-N 2.86Å; V256-L269 HydrophobicContact CG2-CD1 3.9Å; V256-L269 HydrophobicContact CG2-CG 4.19Å; L269-L563 HydrophobicContact CB-CD2 4.5Å; L269-L563 HydrophobicContact CD1-CD1 4.44Å; L269-L563 HydrophobicContact CD2-CB 3.99Å; L269-M565 HydrophobicContact CD1-CE 3.84Å; L269-M565 HydrophobicContact CD2-CB 4.4Å; L269-M565 HydrophobicContact CD2-CE 3.86Å; L269-M565 HydrophobicContact CD2-CG 3.32Å; L269-M565 HydrophobicContact CD2-SD 4.46Å; L269-M565 HydrophobicContact CG-CE 3.84Å; L269-M565 HydrophobicContact CG-CG 4.12Å
270L85.7Confident78.6Confident16 Ų1675.2 Ų75.28%0.08441%0.405CS..EExtended strand (participates in β ladder)trans-128.7130-174.7-65.4170.2000109.3I253 L272 Y275 W277I253-L270 HydrophobicContact CB-CD2 4.22Å; I253-L270 HydrophobicContact CD1-CD2 4.16Å; I253-L270 HydrophobicContact CG1-CD2 3.76Å; I253-L270 HydrophobicContact CG2-CD2 3.91Å; L270-L272 PolarHBondContact O-N 2.82Å; L270-L272 VanDerWaalsContact O-N 3.15Å; L270-Y275 HydrophobicContact CB-CD2 3.72Å; L270-Y275 HydrophobicContact CB-CE2 4.14Å; L270-Y275 HydrophobicContact CD2-CD2 3.86Å; L270-Y275 HydrophobicContact CD2-CE2 3.66Å; L270-Y275 HydrophobicContact CG-CD2 4.36Å; L270-W277 HydrophobicContact CD1-CE3 4.49Å; L270-W277 HydrophobicContact CD1-CH2 3.34Å; L270-W277 HydrophobicContact CD1-CZ2 3.56Å; L270-W277 HydrophobicContact CD1-CZ3 3.84Å; L270-W277 HydrophobicContact CD2-CH2 3.97Å; L270-W277 HydrophobicContact CD2-CZ2 3.59Å; L270-W277 HydrophobicContact CG-CH2 4.3Å; L270-W277 HydrophobicContact CG-CZ2 4.23Å
271D78Confident77.2Confident49 Ų4977.7 Ų77.726%0.26241%0.414SS..  trans-69.6105.4170.3-178-2000110.8T273 Q274 Y275D271-T273 PolarHBondContact O-N 3.06Å; D271-T273 WeakPolarHBondContact OD1-CB 3.46Å; D271-T273 PolarHBondContact OD1-N 3.18Å; D271-T273 PolarHBondContact OD1-OG1 2.85Å; D271-T273 PolarHBondContact OD2-OG1 3.38Å; D271-T273 VanDerWaalsContact OD2-OG1 3.06Å; D271-Q274 PolarHBondContact O-N 3.12Å; D271-Q274 VanDerWaalsContact O-N 3.08Å; D271-Q274 PolarHBondContact OD2-NE2 3.29Å; D271-Y275 WeakPolarHBondContact O-CD2 3.37Å; D271-Y275 PolarHBondContact O-N 2.9Å
272L70Confident75.2Confident44 Ų4480.5 Ų80.523%0.2343%0.434CS..THydrogen-bonded Turntrans-56.8-22.6178.1-61.4179000114L270 Q274 S278 G562L270-L272 PolarHBondContact O-N 2.82Å; L270-L272 VanDerWaalsContact O-N 3.15Å; L272-Q274 VanDerWaalsContact C-N 3.32Å; L272-S278 VanDerWaalsContact CD2-OG 3.28Å; L272-S278 WeakPolarHBondContact CD2-OG 2.94Å; L272-G562 WeakPolarHBondContact CD1-O 3.19Å; L272-G562 WeakPolarHBondContact CG-O 3.35Å
273T70.4Confident73.3Confident98 Ų9881.2 Ų81.260%0.60143%0.425SS*.THydrogen-bonded Turntrans-78-21-179.170.90000112.7D271D271-T273 PolarHBondContact O-N 3.06Å; D271-T273 WeakPolarHBondContact OD1-CB 3.46Å; D271-T273 PolarHBondContact OD1-N 3.18Å; D271-T273 PolarHBondContact OD1-OG1 2.85Å; D271-T273 PolarHBondContact OD2-OG1 3.38Å; D271-T273 VanDerWaalsContact OD2-OG1 3.06Å
274Q67.5Low71.2Confident131 Ų13183.6 Ų83.661%0.61244%0.438SS*.THydrogen-bonded Turntrans-107.8-21.4-179.7-60.6-174.963.500112.3D271 L272D271-Q274 PolarHBondContact O-N 3.12Å; D271-Q274 VanDerWaalsContact O-N 3.08Å; D271-Q274 PolarHBondContact OD2-NE2 3.29Å; L272-Q274 VanDerWaalsContact C-N 3.32Å
275Y68Low68.8Low25 Ų2586 Ų8610%0.09846%0.455CS..  trans-106.793.8-174.3-66.1-52.8000115.2D251 G252 I253 L270 D271 W277 S278D251-Y275 VanDerWaalsContact O-CZ 3.27Å; D251-Y275 PolarHBondContact O-OH 2.99Å; G252-Y275 VanDerWaalsContact CA-OH 3.25Å; G252-Y275 WeakPolarHBondContact CA-OH 3.38Å; G252-Y275 PolarHBondContact N-OH 3.31Å; I253-Y275 HydrophobicContact CG1-CE2 4.28Å; I253-Y275 WeakPolarHBondContact CG1-OH 3.06Å; I253-Y275 PolarHBondContact N-OH 2.93Å; L270-Y275 HydrophobicContact CB-CD2 3.72Å; L270-Y275 HydrophobicContact CB-CE2 4.14Å; L270-Y275 HydrophobicContact CD2-CD2 3.86Å; L270-Y275 HydrophobicContact CD2-CE2 3.66Å; L270-Y275 HydrophobicContact CG-CD2 4.36Å; D271-Y275 WeakPolarHBondContact O-CD2 3.37Å; D271-Y275 PolarHBondContact O-N 2.9Å; Y275-W277 AromaticContact CD1-CD1 3.86Å; Y275-W277 AromaticContact CD1-NE1 3.13Å; Y275-W277 AromaticContact CE1-NE1 3.92Å; Y275-W277 AromaticContact CG-NE1 3.47Å; Y275-W277 PolarHBondContact O-N 3.44Å; Y275-S278 PolarHBondContact O-N 3.35Å; Y275-S278 PolarHBondContact O-OG 3.49Å
276N59.7Low66.7Low167 Ų16788.4 Ų88.489%0.89348%0.476SS*.THydrogen-bonded Turntrans-68.4-0.8177.3-135.74.2000114.8
277W65.4Low64.4Low155 Ų15593.8 Ų93.859%0.58751%0.509SS*.THydrogen-bonded Turntrans-94.46.317657.9-79.7000113.5L270 Y275L270-W277 HydrophobicContact CD1-CE3 4.49Å; L270-W277 HydrophobicContact CD1-CH2 3.34Å; L270-W277 HydrophobicContact CD1-CZ2 3.56Å; L270-W277 HydrophobicContact CD1-CZ3 3.84Å; L270-W277 HydrophobicContact CD2-CH2 3.97Å; L270-W277 HydrophobicContact CD2-CZ2 3.59Å; L270-W277 HydrophobicContact CG-CH2 4.3Å; L270-W277 HydrophobicContact CG-CZ2 4.23Å; Y275-W277 AromaticContact CD1-CD1 3.86Å; Y275-W277 AromaticContact CD1-NE1 3.13Å; Y275-W277 AromaticContact CE1-NE1 3.92Å; Y275-W277 AromaticContact CG-NE1 3.47Å; Y275-W277 PolarHBondContact O-N 3.44Å
278S58.1Low62.3Low36 Ų3699 Ų9925%0.25254%0.539SS..SBendtrans-57.8126.1167.5-610000110.1L272 Y275L272-S278 VanDerWaalsContact CD2-OG 3.28Å; L272-S278 WeakPolarHBondContact CD2-OG 2.94Å; Y275-S278 PolarHBondContact O-N 3.35Å; Y275-S278 PolarHBondContact O-OG 3.49Å
279P58.7Low60.2Low109 Ų109105 Ų10571%0.70856%0.564SS**  trans-52136.7179.2-29.235.6000111.9R281P279-R281 PolarHBondContact O-N 2.85Å
280P64.3Low58.3Low126 Ų126113.3 Ų113.382%0.81860%0.602SS**  trans-51.4115.1-175.9-29.635.5000111.5Q282P280-Q282 PolarHBondContact O-N 2.9Å
281R60.9Low56Low133 Ų133120.2 Ų120.250%0.50264%0.639SS.*  trans-65.3120.5-178.2-66.8179.7173.4-78-20.7108P279 S283 E284P279-R281 PolarHBondContact O-N 2.85Å; R281-S283 PolarHBondContact O-N 2.85Å; R281-E284 PolarHBondContact O-N 2.92Å; R281-E284 VanDerWaalsContact O-N 3.09Å
282Q48.4Very low54.3Low205 Ų205121.2 Ų121.296%0.95866%0.661SS**THydrogen-bonded Turntrans-66.218.2173.1-65.1-174.9-2000113.6P280P280-Q282 PolarHBondContact O-N 2.9Å
283S48.9Very low53.4Low99 Ų99123.6 Ų123.669%0.69268%0.681SS**THydrogen-bonded Turntrans-104.6-5171.160.50000113.5R281 S285R281-S283 PolarHBondContact O-N 2.85Å; S283-S285 PolarHBondContact O-N 3.28Å; S283-S285 VanDerWaalsContact O-N 3.1Å
284E45.9Very low52.2Low175 Ų175130.2 Ų130.282%0.81870%0.695SS**  trans-82.753164.9-158.692.7-128.800109.8R281 P286R281-E284 PolarHBondContact O-N 2.92Å; R281-E284 VanDerWaalsContact O-N 3.09Å; E284-P286 WeakPolarHBondContact O-CD 3.38Å
285S39.8Very low50.9Low93 Ų93127.2 Ų127.265%0.6570%0.7SS**  trans-65.7124.4159.2179.80000105.8S283 V287S283-S285 PolarHBondContact O-N 3.28Å; S283-S285 VanDerWaalsContact O-N 3.1Å; S285-V287 PolarHBondContact O-N 2.78Å
286P47.8Very low50Low94 Ų94133.6 Ų133.661%0.6174%0.741SS**  trans-55139.2164.424.8-31.5000107.3E284 V288E284-P286 WeakPolarHBondContact O-CD 3.38Å; P286-V288 HydrophobicContact CG-CG2 4.18Å; P286-V288 PolarHBondContact O-N 3.09Å
287V43.3Very low49.1Very low140 Ų140128.9 Ų128.985%0.84873%0.732SS**  trans-67.785162.41760000105.9S285 E289S285-V287 PolarHBondContact O-N 2.78Å; V287-E289 PolarHBondContact O-N 2.84Å; V287-E289 VanDerWaalsContact O-N 3.1Å
288V47.5Very low47.7Very low115 Ų115125.5 Ų125.570%0.69775%0.746SS**  trans-61.2111.3164.21750000105.4P286 Q290P286-V288 HydrophobicContact CG-CG2 4.18Å; P286-V288 PolarHBondContact O-N 3.09Å; V288-Q290 PolarHBondContact O-N 3.01Å
289E45.8Very low46.7Very low171 Ų171127.8 Ų127.880%0.79977%0.774SS**  trans-52.5135.5177.9-64.5-163.1146.200110V287 N291V287-E289 PolarHBondContact O-N 2.84Å; V287-E289 VanDerWaalsContact O-N 3.1Å; E289-N291 PolarHBondContact O-N 3.39Å
290Q50.9Low45.6Very low199 Ų199126.2 Ų126.293%0.9378%0.778SS**  trans-69.797.3-177.2-75.2-175.2-1.600111.2V288V288-Q290 PolarHBondContact O-N 3.01Å
291N36.3Very low44.3Very low160 Ų160124.2 Ų124.286%0.85678%0.78SS**  trans-26134.3156.9-177.19.7000114.3E289E289-N291 PolarHBondContact O-N 3.39Å
292G42.1Very low43.1Very low70 Ų70121.9 Ų121.972%0.72280%0.798SS**  trans-145.98-162.900000120
293S51.1Low42.4Very low94 Ų94115.9 Ų115.966%0.65779%0.791SS**  trans79.2139.7163.5-147.50000120.9
294R46.4Very low41.7Very low237 Ų237115 Ų11589%0.89480%0.798SS**  trans72.5112.6165.5-47.1176.1-167178.51.7116.4
295G39.2Very low41.1Very low69 Ų69110.6 Ų110.671%0.71180%0.799SS**  cis101.1123.74.400000113.8
296V50.3Low40.8Very low158 Ų158109.6 Ų109.696%0.95880%0.804SS**  trans77.8123166.9-1710000118.4
297G40.7Very low40.5Very low69 Ų69117.4 Ų117.471%0.71182%0.821SS**  trans112.3105.3132.500000117.2
298G35.8Very low40.2Very low84 Ų84114.6 Ų114.687%0.86682%0.82SS**  trans-73.6179.1173.400000115.8
299G36.2Very low39.7Very low83 Ų83112.8 Ų112.886%0.85683%0.825SS**  trans84129.4-17500000111.7
300G36.2Very low39.5Very low77 Ų77115.5 Ų115.579%0.79483%0.828SS**  cis143141.58.900000108.6
301G36.9Very low38.8Very low83 Ų83111.7 Ų111.786%0.85682%0.821SS**  trans82.7108.2170.700000116.1
302G35.4Very low39Very low84 Ų84109.6 Ų109.687%0.86682%0.819SS**  87.1119119.800000119.1
303G33.6Very low38.8Very low80 Ų80118 Ų11883%0.82583%0.829SS**  102.777.5118.800000118.2
304G35.6Very low38.1Very low81 Ų81124.7 Ų124.784%0.83584%0.84SS**  77.4172.9125.700000119.7
305G32.6Very low37.5Very low81 Ų81117 Ų11784%0.83584%0.835SS**  trans82.597.2162.800000115.7
306G34Very low37.5Very low73 Ų73118.9 Ų118.975%0.75384%0.843SS**  trans-69.8173.9160.100000112.4
307R41.2Very low36.9Very low258 Ų258117.6 Ų117.697%0.97484%0.836SS**  trans84.599.3175.1-51.1178.3178.7-140.4-1116.9
308G36.9Very low37Very low81 Ų81120.3 Ų120.384%0.83584%0.839SS**  118116.7121.100000118.7
309G37.4Very low37.3Very low76 Ų76124.6 Ų124.678%0.78484%0.837SS**  trans87.2156.215700000116
310R40.6Very low37.4Very low229 Ų229132.2 Ų132.286%0.86484%0.839SS**  cis-161.7139.5-3.5-162.9-173.9-79.6-165.9-3.2110.2
311C36.3Very low37.5Very low118 Ų118133.7 Ų133.780%0.79784%0.838SS**  trans55.9154.5157.464.70000119.8
312S40.9Very low37.6Very low116 Ų116137.6 Ų137.681%0.81184%0.836SS**  cis-150.5148.26.8-161.80000112.4
313R36.8Very low37.9Very low247 Ų247141.3 Ų141.393%0.93283%0.834SS**  trans-142.9105.4168-172.8-169.5-84-150.90.2110
314R37.5Very low38.2Very low235 Ų235143.6 Ų143.689%0.88783%0.827SS**  trans-166.9153.1168-105.1177.3-158.2-116.3-3.3108.7
315G34.2Very low38.5Very low76 Ų76147.9 Ų147.978%0.78483%0.831SS**  cis-167-177.92.200000112.1
316A37.7Very low38.8Very low108 Ų108155.4 Ų155.489%0.89383%0.834SS**  trans-115.9170.8-173.100000112.6
317T38.3Very low39.1Very low131 Ų131156 Ų15680%0.80483%0.832SS**  trans-142.1133.6161.4-162.30000111.3
318T42.8Very low39.4Very low125 Ų125150.3 Ų150.377%0.76782%0.821SS**  -174.4142125.9-70.20000109.9
319Q42.7Very low39.7Very low175 Ų175153.3 Ų153.382%0.81882%0.818SS**  trans-22.2133.9177.1-62.6171-2000117.9
320R37.1Very low39.7Very low243 Ų243153.2 Ų153.292%0.91782%0.817SS**  73.5103.359.8-172.6-163.6-94.7-138.61.4114.4
321S39.6Very low39.5Very low108 Ų108145.7 Ų145.776%0.75581%0.81SS**  trans-157.1144.3135.3-164.60000111.2
322M38.3Very low39.5Very low165 Ų165145.9 Ų145.981%0.81381%0.808SS**  trans-117151.3171-61.4-178.9-175.900108.7
323I42.5Very low39.3Very low162 Ų162146.9 Ų146.983%0.83181%0.809SS**  trans-139.2127.5148.3-86.2125.7000107.8
324N39.1Very low39.2Very low128 Ų128139.7 Ų139.768%0.68480%0.796SS**  trans-79.9162.3170.3-66.9-47000110.2
325N42.5Very low39.1Very low170 Ų170135.8 Ų135.891%0.90979%0.792SS**  trans-148.5142.8132.9-104.6-14.9000111.5
326R37.5Very low39Very low239 Ų239139.8 Ų139.890%0.90280%0.796SS**  trans-107149-177.3-67.7171.7169.7166.3-6.3110.3
327A40.8Very low38.7Very low86 Ų86138.3 Ų138.371%0.71179%0.791SS**  trans-155117.8148.500000105.7
328N47.2Very low38.4Very low138 Ų138141.3 Ų141.374%0.73879%0.793SS**  71.7133.5101.7-77.553.3000112.9
329D43.2Very low37.9Very low145 Ų145142.7 Ų142.778%0.77580%0.795SS**  cis-152.2161.5-10.8-75.6-49.2000104.1
330G38.9Very low37.7Very low74 Ų74139.9 Ų139.976%0.76379%0.792SS**  cis15013916.400000107
331G36.1Very low37.1Very low70 Ų70139.1 Ų139.172%0.72279%0.789SS**  trans87.4135.7172.400000117.4
332T36Very low36.6Very low123 Ų123138 Ų13876%0.75578%0.781SS**  cis158126.3-31.339.50000107.2
333V37.4Very low36.2Very low137 Ų137134 Ų13483%0.8377%0.769SS**  trans58.1157.3148-49.30000119
334S33.9Very low35.8Very low95 Ų95134.7 Ų134.766%0.66477%0.769SS**  cis-167159.3-9.5-1180000112
335L35.1Very low35.4Very low153 Ų153133.3 Ų133.380%0.80177%0.769SS**  trans63.3120144.3-62.9167.1000123.3
336N32.5Very low35.5Very low161 Ų161130.1 Ų130.186%0.86176%0.756SS**  trans9125.5143-57.5-2.1000120.9
337G32Very low35.6Very low77 Ų77128.5 Ų128.579%0.79476%0.756SS**  trans158.683.9154.300000119.8
338K31.1Very low35.3Very low193 Ų193127.8 Ų127.884%0.83976%0.757SS**  trans38.1106.8136.3-162.3173.8-175.6-178.20121
339L33.6Very low35Very low155 Ų155132.6 Ų132.681%0.81277%0.765SS**  trans68.3164157.6-60.5168.6000117.2
340P36.5Very low35Very low115 Ų115130 Ų13075%0.74775%0.754SS**  cis-132175-16.139.8-22.6000116.1
341W26.1Very low34.9Very low227 Ų227134.8 Ų134.886%0.8676%0.757SS**  trans53.4115.1137.1-177.5-90.4000123.9
342S27.8Very low35.3Very low86 Ų86136.5 Ų136.560%0.60176%0.758SS**  trans64.3163.1142.5101.80000120
343S31.5Very low35.6Very low80 Ų80139 Ų13956%0.55976%0.761SS**  cis-160.7173.8-9.539.90000109.6
344E32.6Very low35.5Very low176 Ų176139.9 Ų139.982%0.82276%0.761SS**  trans68.7143.4162.6-75.8143.2103.700117.9
345S32.2Very low35.4Very low99 Ų99139.3 Ų139.369%0.69276%0.762SS**  cis-162143.9-10.4-158.90000105.6
346T42.7Very low35.4Very low103 Ų103136.7 Ų136.763%0.63276%0.763SS**  -175.614260.233.20000111.1
347K39.8Very low35.3Very low206 Ų206133.5 Ų133.590%0.89676%0.758SS**  trans45.9127.4141.4-54.7169-177.6174.50119.9
348G36.2Very low35.7Very low71 Ų71137.6 Ų137.673%0.73276%0.76SS**  cis156166.3-3.200000112.8
349R39.4Very low36.1Very low238 Ų238134.5 Ų134.590%0.89876%0.758SS**  trans69144.5172.1-76.3-173.292.4156.97.6118.4
350T43.1Very low36.6Very low91 Ų91132.5 Ų132.556%0.55875%0.754SS**  cis-164.3153.9-23.57.70000108.9
351E36.8Very low36.6Very low175 Ų175135 Ų13582%0.81876%0.756SS**  trans24.4151.3138.4-69.4159.9156.400121.9
352S44.4Very low37.3Very low106 Ų106133.1 Ų133.174%0.74175%0.754SS**  cis-164.7151.814.429.50000115.4
353Q42.7Very low37.6Very low175 Ų175137.2 Ų137.282%0.81876%0.763SS**  trans10.3133.5143.7-57.8172.8-21.700123.6
354N35.4Very low38.6Very low155 Ų155142 Ų14283%0.82978%0.781SS**  153.1163.4121.3-83.9-22.5000112.4
355A31.7Very low39Very low84 Ų84140.3 Ų140.369%0.69478%0.777SS**  cis-179.6153.9-4400000108.9
356A34.3Very low39.8Very low98 Ų98140.8 Ų140.881%0.8178%0.776SS**  trans67.7117.1171.500000117.2
357A31.3Very low39.9Very low93 Ų93142.6 Ų142.677%0.76978%0.782SS**  83.7140.17600000112.1
358I40.6Very low40Very low164 Ų164138.8 Ų138.884%0.84177%0.771SS**  -154152.453.8-77.5162.7000111.7
359T38.7Very low40.7Very low128 Ų128142.6 Ų142.679%0.78577%0.769SS**  trans-102.5179.3177.820.30000112.6
360P44.8Very low40.8Very low112 Ų112136.2 Ų136.273%0.72776%0.761SS**  trans-95-147.5-152.542.5-40.8000115.3
361E37.6Very low40.8Very low168 Ų168137.6 Ų137.679%0.78577%0.769SS**  trans102.2143.7-178.2-59.4178.6-143.300113.6
362K40.4Very low40.8Very low188 Ų188135.4 Ų135.482%0.81777%0.768SS**  cis-153.8158.924.5-156.6161.3-175.3157.40114.9
363E33.8Very low40.5Very low172 Ų172134.4 Ų134.480%0.80477%0.766SS**  trans-97142.9-179.6165.5-171.7-116.200111.9
364I52.5Low40.2Very low180 Ų180132 Ų13292%0.92377%0.768SS**  trans-153.8157.5152.27.8173.8000111.2
365D39.8Very low40.6Very low141 Ų141128.3 Ų128.375%0.75476%0.76SS**  trans-137.4-174.3-145.1-171.815.5000112
366V49.2Very low40.9Very low109 Ų109132.4 Ų132.466%0.66177%0.77SS**  trans95.9104.9159.9-169.50000118.1
367D45.3Very low41Very low141 Ų141131.7 Ų131.775%0.75477%0.772SS**  trans34.6141132.1-51.4-58.8000120.3
368D43.1Very low41.5Very low126 Ų126135.2 Ų135.267%0.67478%0.777SS**  -169.9160.970.3-152.215.2000118.1
369H49.1Very low41.6Very low151 Ų151132.6 Ų132.670%0.69977%0.771SS**  trans17.5116.7158.9-66.6-10.1000126.1
370S43.4Very low41.6Very low104 Ų104131.9 Ų131.973%0.72777%0.771SS**  95.3152.2110.378.90000125
371V42.8Very low41.2Very low120 Ų120130.3 Ų130.373%0.72777%0.767SS**  trans61.797.1157.2-71.90000123.9
372T36.6Very low41.4Very low128 Ų128130.2 Ų130.279%0.78577%0.767SS**  45.8131.6117.762.40000123.5
373A37.9Very low41.4Very low85 Ų85127.8 Ų127.870%0.70276%0.763SS**  112.5126.3128.500000119.1
374S37.2Very low41.7Very low124 Ų124124.4 Ų124.487%0.86776%0.758SS**  trans65.2155.5153.7-55.80000118.1
375A42.3Very low41.2Very low78 Ų78123.5 Ų123.565%0.64575%0.754SS**  cis-164159.3-27.900000107.2
376D38.4Very low41.3Very low170 Ų170120.8 Ų120.891%0.90975%0.746SS**  trans47115.9158.2-52.5-35.4000120.7
377G36.4Very low41.1Very low83 Ų83123.1 Ų123.186%0.85676%0.755SS**  trans174.674171.600000116.8
378L41.7Very low41Very low167 Ų167125.3 Ų125.387%0.87476%0.758SS**  trans-80.9165.1159.7-76.4165.5000110
379P43.6Very low40.8Very low110 Ų110124.1 Ų124.171%0.71476%0.76SS**  cis-138-172.8-3337.9-20.4000113.4
380S37.7Very low40.4Very low112 Ų112123.5 Ų123.578%0.78376%0.761SS**  trans109.1121.3143.5-150.10000119.8
381A36.6Very low40Very low79 Ų79127 Ų12765%0.65377%0.766SS**  trans47.3119.4148.200000121.4
382H41.1Very low39.7Very low166 Ų166127.5 Ų127.577%0.76977%0.769SS**  -176.5156.6100.8-114-94000114.5
383N41.6Very low39.8Very low137 Ų137125.6 Ų125.673%0.73377%0.766SS**  trans66.6112.9160.2-51.9-23000117.4
384S38.9Very low39.5Very low101 Ų101128.7 Ų128.771%0.70677%0.771SS**  cis9314028-161.90000115.5
385L42.6Very low39.4Very low161 Ų161129.9 Ų129.984%0.84377%0.766SS**  trans70.7138.9-179.4-58.1116.9000116.1
386S41.1Very low39Very low84 Ų84133.6 Ų133.659%0.58778%0.775SS**  cis-167.2143.7-1246.90000110.2
387D45.1Very low39Very low159 Ų159130.6 Ų130.685%0.8577%0.774SS**  -164.5154117-100.9-28000113.1
388K44.1Very low38.8Very low186 Ų186134.3 Ų134.381%0.80977%0.774SS**  trans-105.8142-161.9-58.6159.8-177.91680110.3
389S39.5Very low38.2Very low102 Ų102131 Ų13171%0.71377%0.77SS**  143.7147.294.452.70000106.9
390N39.7Very low37.8Very low137 Ų137134.8 Ų134.873%0.73378%0.778SS**  cis-136.7137.6-13.5-74.7-37.8000105.8
391Q36Very low37.9Very low179 Ų179135.7 Ų135.784%0.83678%0.779SS**  38.6127.395.1-54.1-169.825.100113.5
392V35.9Very low37.9Very low130 Ų130140.8 Ų140.879%0.78879%0.786SS**  cis-159.3150.544.7168.90000110.5
393A38.7Very low37.5Very low87 Ų87140.2 Ų140.272%0.71979%0.789SS**  trans53120.8161.500000117.9
394D32.1Very low37.3Very low151 Ų151138.7 Ų138.781%0.80779%0.789SS**  cis60.1116.429.1-113.9-4.7000115.6
395I34.2Very low36.7Very low149 Ų149144.8 Ų144.876%0.76480%0.798SS**  trans66.793.1170.1-45.9166.7000115.8
396N34.7Very low36.4Very low156 Ų156142.7 Ų142.783%0.83479%0.792SS**  trans-178.267.3143.3-93.5-17.3000111.6
397A37.4Very low35.9Very low107 Ų107144.9 Ų144.988%0.88479%0.793SS**  trans-107.443171.200000111.5
398L31.7Very low35.5Very low161 Ų161143.3 Ų143.384%0.84379%0.792SS**SBendtrans-146.9137.1172.8-112.1104.5000108.4
399A30.5Very low35.2Very low97 Ų97141.8 Ų141.880%0.80279%0.786SS**  trans76.9154.8-173.200000116.3
400E35.5Very low35.1Very low189 Ų189144.6 Ų144.688%0.88379%0.785SS**  trans65.9125-170.8-54.7-179.4172.800113.5
401V38.9Very low35.1Very low131 Ų131143.5 Ų143.579%0.79478%0.779SS**  cis-128.1120.827.2175.60000111.8
402K36.4Very low35.7Very low186 Ų186142.7 Ų142.781%0.80978%0.781SS**  trans-85.9149.5152.2-83.3-178.5173.8179.60108.5
403N32.7Very low35.9Very low155 Ų155143.7 Ų143.783%0.82978%0.782SS**  trans54.5105.3159.9-62.42.1000118.6
404S37.2Very low36.2Very low105 Ų105148.6 Ų148.673%0.73479%0.79SS**  trans-149.271.8142.269.30000111.3V406S404-V406 PolarHBondContact O-N 2.78Å
405Y27.1Very low36.6Very low229 Ų229149.8 Ų149.890%0.89879%0.79SS**  trans-78.7101.4155.3-175.2-90.5000106.1
406V36.2Very low36.6Very low117 Ų117148.3 Ų148.371%0.70979%0.792SS**  trans-127118.1176.6178.70000109.4S404S404-V406 PolarHBondContact O-N 2.78Å
407E30.7Very low36.4Very low130 Ų130145.7 Ų145.761%0.60779%0.792SS**  trans-67123.2173.9-176.1-177165.600110.9K409E407-K409 HydrophobicContact CG-CG 4.44Å; E407-K409 WeakPolarHBondContact OE1-CE 3.37Å; E407-K409 IonicContact OE1-NZ 2.61Å; E407-K409 PolarHBondContact OE1-NZ 3.31Å
408C35.5Very low36.4Very low125 Ų125146 Ų14685%0.84579%0.787SS**  trans-119.199.7165.4-73.20000109.6
409K37.9Very low36.8Very low154 Ų154146.4 Ų146.467%0.6779%0.785SS**  trans-67.1157.6170.3-70.3-177.4167.8770111.4E407E407-K409 HydrophobicContact CG-CG 4.44Å; E407-K409 WeakPolarHBondContact OE1-CE 3.37Å; E407-K409 IonicContact OE1-NZ 2.61Å; E407-K409 PolarHBondContact OE1-NZ 3.31Å
410K37.6Very low37.1Very low162 Ų162150.8 Ų150.870%0.70479%0.789SS**  trans88137.3142.4-93.5179.4134.7-84.10120.7
411D40.8Very low36.9Very low113 Ų113145.3 Ų145.360%0.60478%0.783SS**  trans63.6113.4153.2-43.9-24.4000115
412D47.1Very low36.9Very low162 Ų162147.4 Ų147.487%0.86678%0.784SS**  cis-154.2154.647.1-86.9-50.6000114.6
413D41.1Very low37.2Very low152 Ų152143 Ų14381%0.81378%0.783SS**  trans-78.9130.5177.3-66.7-69.4000113.2
414Q44.5Very low38.1Very low189 Ų189147.2 Ų147.288%0.88379%0.787SS**  176.8145.2111.3-95.6168.726.300114.2
415Q41.5Very low38.4Very low176 Ų176153.5 Ų153.582%0.82280%0.795SS**  trans115.899.4142.6-149.8160.72000118.6
416C34.4Very low40.4Very low119 Ų119147.7 Ų147.780%0.80478%0.782SS**  trans72.3101.1147.4-66.50000119.9
417A30.5Very low42.2Very low100 Ų100145.5 Ų145.583%0.82677%0.77SS**  trans-6613417000000114.4
418S36.7Very low44.1Very low113 Ų113146.6 Ų146.679%0.7978%0.779SS**  trans-173.7143.9141.2-90.30000112.8
419Q40.6Very low46.1Very low171 Ų171143.2 Ų143.280%0.79976%0.759SS**  trans69.574162.4-61.8-174.113.100119.1
420E35.8Very low47.7Very low188 Ų188138.5 Ų138.588%0.87974%0.742SS**  28.4106103.7-157169-151.800118
421G30.9Very low49.5Very low74 Ų74136.3 Ų136.376%0.76374%0.737SS**  78.338.9124.400000120.6A423G421-A423 PolarHBondContact O-N 3.1Å
422H40.4Very low51Low175 Ų175133.1 Ų133.181%0.8173%0.727SS**  trans-77.785.8168.4-95.467.7000113.3R424H422-R424 PolarHBondContact O-N 3.49Å
423A42.5Very low52Low94 Ų94132.6 Ų132.678%0.77771%0.713SS**  trans-57.9117.2167.800000110.7G421 R425G421-A423 PolarHBondContact O-N 3.1Å; A423-R425 PolarHBondContact O-N 2.59Å; A423-R425 VanDerWaalsContact O-N 3.1Å
424R50.3Low53.3Low243 Ų243127.9 Ų127.992%0.91770%0.695SS**  trans-69108.6-177-68.2-175.7177.9-169.20.5110.4H422 V426H422-R424 PolarHBondContact O-N 3.49Å; R424-V426 PolarHBondContact O-N 2.78Å
425R44.6Very low54.4Low238 Ų238121.3 Ų121.390%0.89867%0.673SS**  trans-63.7105.4171.8-80.2178.7156154.9-6.2110.6A423 T427A423-R425 PolarHBondContact O-N 2.59Å; A423-R425 VanDerWaalsContact O-N 3.1Å; R425-T427 PolarHBondContact O-N 3.1Å
426V68.5Low55.6Low106 Ų106118.3 Ų118.364%0.64266%0.661SS**  trans-57.4129.6169.4-178.90000109.1R424 D430 L431R424-V426 PolarHBondContact O-N 2.78Å; V426-D430 HydrophobicContact CG1-CB 3.87Å; V426-L431 HydrophobicContact CG1-CD1 4.31Å
427T74.1Confident57.1Low72 Ų72115.7 Ų115.744%0.44264%0.644SS.*  trans-91160.1178.873.50000111.5R425 A429 D430 L431R425-T427 PolarHBondContact O-N 3.1Å; T427-A429 PolarHBondContact O-N 2.93Å; T427-A429 VanDerWaalsContact O-N 3.11Å; T427-A429 PolarHBondContact OG1-N 3.21Å; T427-D430 WeakPolarHBondContact CB-OD2 3.2Å; T427-D430 PolarHBondContact N-OD2 3.32Å; T427-D430 WeakPolarHBondContact O-CB 3.42Å; T427-D430 PolarHBondContact O-N 2.89Å; T427-D430 PolarHBondContact OG1-N 3.4Å; T427-D430 PolarHBondContact OG1-OD2 3.15Å; T427-L431 PolarHBondContact O-N 3.18Å; T427-L431 VanDerWaalsContact O-N 3.08Å
428L71.7Confident58.4Low153 Ų153117 Ų11780%0.80164%0.637SS**Hα-helixtrans-53.2-32.4172.9-166.677.1000112.1L431 A432L428-L431 PolarHBondContact O-N 3.42Å; L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 3.07Å
429A75.9Confident59.2Low53 Ų53117.3 Ų117.344%0.43863%0.626SS.*Hα-helixtrans-74.4-23.6177.900000113.8T427 R433T427-A429 PolarHBondContact O-N 2.93Å; T427-A429 VanDerWaalsContact O-N 3.11Å; T427-A429 PolarHBondContact OG1-N 3.21Å; A429-R433 PolarHBondContact O-N 2.91Å; A429-R433 PolarHBondContact O-NE 2.8Å; A429-R433 PolarHBondContact O-NH2 2.92Å
430D71.3Confident59.8Low56 Ų56112.5 Ų112.530%0.29961%0.611SS.*Hα-helixtrans-80.2-39.6172.5-55.4-55.8000110.1V426 T427 R433 A434V426-D430 HydrophobicContact CG1-CB 3.87Å; T427-D430 WeakPolarHBondContact CB-OD2 3.2Å; T427-D430 PolarHBondContact N-OD2 3.32Å; T427-D430 WeakPolarHBondContact O-CB 3.42Å; T427-D430 PolarHBondContact O-N 2.89Å; T427-D430 PolarHBondContact OG1-N 3.4Å; T427-D430 PolarHBondContact OG1-OD2 3.15Å; D430-R433 PolarHBondContact O-N 2.97Å; D430-R433 IonicContact OD1-CZ 3.41Å; D430-R433 IonicContact OD1-NH1 2.94Å; D430-R433 PolarHBondContact OD1-NH1 3.44Å; D430-R433 IonicContact OD1-NH2 3.28Å; D430-R433 PolarHBondContact OD1-NH2 2.83Å; D430-A434 PolarHBondContact O-N 2.79Å
431L76Confident60.6Low115 Ų115109 Ų10960%0.60260%0.598SS**Hα-helixtrans-60.7-44172.4-141.393.6000111.6V426 T427 L428 R433 A434 A435V426-L431 HydrophobicContact CG1-CD1 4.31Å; T427-L431 PolarHBondContact O-N 3.18Å; T427-L431 VanDerWaalsContact O-N 3.08Å; L428-L431 PolarHBondContact O-N 3.42Å; L431-R433 PolarHBondContact O-N 3.04Å; L431-A434 WeakPolarHBondContact O-CB 3.36Å; L431-A434 PolarHBondContact O-N 3.27Å; L431-A435 PolarHBondContact O-N 3.46Å
432A73.5Confident61.5Low47 Ų47108.7 Ų108.739%0.38859%0.588SS.*Hα-helixtrans-63.6-38.5176.100000112.7L428 A435 I436L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 3.07Å; A432-A435 PolarHBondContact O-N 3.15Å; A432-I436 WeakPolarHBondContact O-CG1 3.32Å; A432-I436 PolarHBondContact O-N 3.18Å; A432-I436 VanDerWaalsContact O-N 3.09Å
433R68.1Low62Low151 Ų151108.7 Ų108.757%0.5759%0.586SS**Hα-helixtrans-66.8-35.7174.1-87.8177.4-861262.9112.3A429 D430 L431 S437A429-R433 PolarHBondContact O-N 2.91Å; A429-R433 PolarHBondContact O-NE 2.8Å; A429-R433 PolarHBondContact O-NH2 2.92Å; D430-R433 PolarHBondContact O-N 2.97Å; D430-R433 IonicContact OD1-CZ 3.41Å; D430-R433 IonicContact OD1-NH1 2.94Å; D430-R433 PolarHBondContact OD1-NH1 3.44Å; D430-R433 IonicContact OD1-NH2 3.28Å; D430-R433 PolarHBondContact OD1-NH2 2.83Å; L431-R433 PolarHBondContact O-N 3.04Å; R433-S437 WeakPolarHBondContact O-CB 3.46Å; R433-S437 PolarHBondContact O-N 2.95Å
434A67.9Low62.3Low53 Ų53113.1 Ų113.144%0.43859%0.588SS.*Hα-helixtrans-66.2-43.2173.200000112.2D430 L431 S437 L438D430-A434 PolarHBondContact O-N 2.79Å; L431-A434 WeakPolarHBondContact O-CB 3.36Å; L431-A434 PolarHBondContact O-N 3.27Å; A434-S437 WeakPolarHBondContact O-CB 3.47Å; A434-S437 PolarHBondContact O-N 3.32Å; A434-L438 PolarHBondContact O-N 3.11Å
435A67.4Low61.8Low51 Ų51105.3 Ų105.342%0.42158%0.575SS.*Hα-helixtrans-61-48.5177.800000112.7L431 A432 S437 L438 E439L431-A435 PolarHBondContact O-N 3.46Å; A432-A435 PolarHBondContact O-N 3.15Å; A435-S437 VanDerWaalsContact C-N 3.27Å; A435-S437 PolarHBondContact O-N 3.42Å; A435-L438 WeakPolarHBondContact O-CB 3.41Å; A435-L438 PolarHBondContact O-N 3.43Å; A435-L438 VanDerWaalsContact O-N 3.16Å; A435-E439 PolarHBondContact O-N 3.23Å
436I66Low61.4Low112 Ų112102.1 Ų102.157%0.57457%0.57SS**Hα-helixtrans-62.4-35.8177.9-64.9164.6000111.3A432 S440A432-I436 WeakPolarHBondContact O-CG1 3.32Å; A432-I436 PolarHBondContact O-N 3.18Å; A432-I436 VanDerWaalsContact O-N 3.09Å; I436-S440 PolarHBondContact O-N 3.08Å; I436-S440 VanDerWaalsContact O-N 3.1Å
437S66.5Low60Low64 Ų64102.6 Ų102.645%0.44858%0.576SS.*Hα-helixtrans-65.4-42.5175.3-1670000112R433 A434 A435 S440 N441R433-S437 WeakPolarHBondContact O-CB 3.46Å; R433-S437 PolarHBondContact O-N 2.95Å; A434-S437 WeakPolarHBondContact O-CB 3.47Å; A434-S437 PolarHBondContact O-N 3.32Å; A435-S437 VanDerWaalsContact C-N 3.27Å; A435-S437 PolarHBondContact O-N 3.42Å; S437-S440 PolarHBondContact O-N 3.1Å; S437-S440 PolarHBondContact O-OG 2.89Å; S437-N441 PolarHBondContact O-N 3.32Å
438L57.5Low58.1Low129 Ų129109.4 Ų109.468%0.67559%0.593SS**Hα-helixtrans-62.6-44.8174.9-84.2155.7000112.5A434 A435 S440 N441 A442A434-L438 PolarHBondContact O-N 3.11Å; A435-L438 WeakPolarHBondContact O-CB 3.41Å; A435-L438 PolarHBondContact O-N 3.43Å; A435-L438 VanDerWaalsContact O-N 3.16Å; L438-S440 VanDerWaalsContact C-N 3.25Å; L438-S440 PolarHBondContact O-N 2.95Å; L438-N441 PolarHBondContact O-N 3.48Å; L438-A442 PolarHBondContact O-N 3.09Å
439E52.8Low56.3Low119 Ų119107.5 Ų107.556%0.55659%0.593SS**Hα-helixtrans-62.3-31174.8-75.4-170.9106.700113.2A435 N441A435-E439 PolarHBondContact O-N 3.23Å; E439-N441 VanDerWaalsContact C-N 3.35Å
440S53.5Low54.3Low70 Ų70112.3 Ų112.349%0.4961%0.61SS.*Hα-helixtrans-71.1-29.1177.979.60000113.2I436 S437 L438I436-S440 PolarHBondContact O-N 3.08Å; I436-S440 VanDerWaalsContact O-N 3.1Å; S437-S440 PolarHBondContact O-N 3.1Å; S437-S440 PolarHBondContact O-OG 2.89Å; L438-S440 VanDerWaalsContact C-N 3.25Å; L438-S440 PolarHBondContact O-N 2.95Å
441N52.6Low52.4Low114 Ų114114.3 Ų114.361%0.6163%0.629SS**Hα-helixtrans-87.2-30.4176.1-86-32.3000113.2S437 L438 E439 K443 K444S437-N441 PolarHBondContact O-N 3.32Å; L438-N441 PolarHBondContact O-N 3.48Å; E439-N441 VanDerWaalsContact C-N 3.35Å; N441-K443 PolarHBondContact O-N 3.47Å; N441-K444 PolarHBondContact O-N 3.04Å
442A50.3Low50.4Low67 Ų67113.7 Ų113.755%0.55464%0.64SS**Hα-helixtrans-58.6-30.3176.400000112.9L438 K444 A445L438-A442 PolarHBondContact O-N 3.09Å; A442-K444 PolarHBondContact O-N 3.2Å; A442-K444 VanDerWaalsContact O-N 3.16Å; A442-A445 PolarHBondContact O-N 2.6Å
443K51.7Low48.9Very low175 Ų175119.9 Ų119.976%0.76166%0.659SS**THydrogen-bonded Turntrans-75.66.2-178.7-67175.3-176.5174.80115.1N441N441-K443 PolarHBondContact O-N 3.47Å
444K48.4Very low47.5Very low188 Ų188118.6 Ų118.682%0.81767%0.67SS**THydrogen-bonded Turntrans-115.60.7173.2-76.9-176.9176.1177.60114.5N441 A442N441-K444 PolarHBondContact O-N 3.04Å; A442-K444 PolarHBondContact O-N 3.2Å; A442-K444 VanDerWaalsContact O-N 3.16Å
445A39.3Very low46.1Very low79 Ų79125.9 Ų125.965%0.65369%0.692SS**SBendtrans-88.3128.317500000111.2A442A442-A445 PolarHBondContact O-N 2.6Å
446Q35.9Very low44.9Very low171 Ų171127 Ų12780%0.79971%0.709SS**PPolyproline II helixtrans-68.9138.7175.1-77.9-78.7-34.200111W448Q446-W448 PolarHBondContact O-N 3.25Å
447P39.5Very low44Very low116 Ų116131.4 Ų131.475%0.75372%0.724SS**PPolyproline II helixtrans-73117.7174.529.9-32.5000110.1
448W33.5Very low43.3Very low215 Ų215133.1 Ų133.181%0.81473%0.727SS**PPolyproline II helixtrans-76135.3173.348.4-82.9000110.2Q446Q446-W448 PolarHBondContact O-N 3.25Å
449S34.8Very low43.6Very low113 Ų113129.4 Ų129.479%0.7971%0.712SS**PPolyproline II helixtrans-74.5131.3-173.927.90000112.3S451S449-S451 PolarHBondContact O-N 2.87Å
450L34.1Very low44.1Very low154 Ų154127.3 Ų127.381%0.80672%0.715SS**  trans-65.1112.9179.1-73.3162.6000111.4A452L450-A452 PolarHBondContact O-N 3.05Å
451S31.2Very low44.5Very low97 Ų97131.4 Ų131.468%0.67873%0.727SS**  trans-84.2104.5166-176.50000109.2S449 K453S449-S451 PolarHBondContact O-N 2.87Å; S451-K453 PolarHBondContact O-N 2.87Å; S451-K453 VanDerWaalsContact O-N 3.17Å
452A34.1Very low44.7Very low103 Ų103129.7 Ų129.785%0.85172%0.715SS**  trans-67.5110.5173.100000110.3L450L450-A452 PolarHBondContact O-N 3.05Å
453K42.2Very low45.4Very low177 Ų177128.4 Ų128.477%0.7771%0.705SS**  trans-115.9130.5164.4-70.2-178.7-178.5174.90108.4S451S451-K453 PolarHBondContact O-N 2.87Å; S451-K453 VanDerWaalsContact O-N 3.17Å
454P38.2Very low46Very low124 Ų124126.1 Ų126.181%0.80570%0.696SS**  trans-70.6155.6179.330.6-34.9000111.1G456P454-G456 PolarHBondContact O-N 3.08Å
455F39Very low47Very low205 Ų205121 Ų12190%0.89968%0.684SS**  trans-36.4129.9178.7-74.8-98.7000114.2K457F455-K457 PolarHBondContact O-N 3.07Å
456G42.2Very low48.2Very low76 Ų76119.7 Ų119.778%0.78467%0.666SS**PPolyproline II helixtrans-60.7122.7159.500000108.7P454 L458P454-G456 PolarHBondContact O-N 3.08Å; G456-L458 PolarHBondContact O-N 2.72Å
457K46.5Very low49.6Very low203 Ų203116.6 Ų116.688%0.88366%0.655SS**PPolyproline II helixtrans-67.7126.3172.9-62.2177.9-179.6-178.60107.8F455 S459F455-K457 PolarHBondContact O-N 3.07Å; K457-S459 PolarHBondContact O-N 3.06Å
458L52.6Low50.8Low101 Ų101115.5 Ų115.553%0.52964%0.643SS.*PPolyproline II helixtrans-51139.5160.8-70.7167.1000108.1G456 E462G456-L458 PolarHBondContact O-N 2.72Å; L458-E462 HydrophobicContact CB-CB 4.43Å; L458-E462 HydrophobicContact CD2-CB 4.25Å
459S63.5Low52.2Low50 Ų50109 Ų10935%0.3562%0.623SS.*PPolyproline II helixtrans-65155.7172.176.20000109.5K457 E461 E462 A463K457-S459 PolarHBondContact O-N 3.06Å; S459-E461 PolarHBondContact O-N 3.09Å; S459-E462 PolarHBondContact O-N 3.4Å; S459-E462 VanDerWaalsContact O-N 3.1Å; S459-E462 PolarHBondContact OG-N 2.93Å; S459-E462 VanDerWaalsContact OG-N 3.09Å; S459-A463 PolarHBondContact O-N 2.97Å; S459-A463 VanDerWaalsContact O-N 3.08Å
460A63.2Low53.4Low75 Ų75108 Ų10862%0.6261%0.605SS**Hα-helixtrans-56.7-35.3174.600000111.3A463 E464A460-A463 PolarHBondContact O-N 3.48Å; A460-E464 WeakPolarHBondContact O-CB 3.49Å; A460-E464 WeakPolarHBondContact O-CG 3.45Å; A460-E464 PolarHBondContact O-N 3.4Å
461E62.8Low54.7Low157 Ų157109.6 Ų109.673%0.73460%0.6SS**Hα-helixtrans-65.1-38.7176.4-58.2172.9177.300112.7S459 S465S459-E461 PolarHBondContact O-N 3.09Å; E461-S465 WeakPolarHBondContact O-CB 3.28Å; E461-S465 PolarHBondContact O-N 3.22Å
462E56.1Low56Low77 Ų77109.4 Ų109.436%0.3660%0.595SS.*Hα-helixtrans-70-35.7174.6-77.4-166.5104.200112.6K247 L458 S459 L466K247-E462 IonicContact NZ-OE1 2.76Å; K247-E462 PolarHBondContact NZ-OE1 3.23Å; L458-E462 HydrophobicContact CB-CB 4.43Å; L458-E462 HydrophobicContact CD2-CB 4.25Å; S459-E462 PolarHBondContact O-N 3.4Å; S459-E462 VanDerWaalsContact O-N 3.1Å; S459-E462 PolarHBondContact OG-N 2.93Å; S459-E462 VanDerWaalsContact OG-N 3.09Å; E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 3.08Å
463A65Low56.9Low41 Ų41106.1 Ų106.134%0.33956%0.564SS.*Hα-helixtrans-67.8-48.3175.100000111.4S459 A460 S465 L466 D467S459-A463 PolarHBondContact O-N 2.97Å; S459-A463 VanDerWaalsContact O-N 3.08Å; A460-A463 PolarHBondContact O-N 3.48Å; A463-S465 VanDerWaalsContact C-N 3.32Å; A463-S465 PolarHBondContact O-N 3.05Å; A463-L466 PolarHBondContact O-N 3.28Å; A463-D467 PolarHBondContact O-N 3.3Å
464E64.5Low57.4Low126 Ų126101.7 Ų101.759%0.58956%0.555SS**Hα-helixtrans-63.9-35.5176.4-74.2-173.7174.600112.5A460 D467 N468A460-E464 WeakPolarHBondContact O-CB 3.49Å; A460-E464 WeakPolarHBondContact O-CG 3.45Å; A460-E464 PolarHBondContact O-N 3.4Å; E464-D467 PolarHBondContact O-N 2.92Å; E464-N468 VanDerWaalsContact O-CB 3.26Å; E464-N468 WeakPolarHBondContact O-CB 3.37Å; E464-N468 VanDerWaalsContact O-CG 3.25Å; E464-N468 PolarHBondContact O-N 2.94Å; E464-N468 PolarHBondContact O-ND2 3.07Å
465S68.2Low57.9Low81 Ų8199 Ų9957%0.56654%0.54SS*.Hα-helixtrans-62.7-41.7174.5-175.20000111.8E461 A463 L469E461-S465 WeakPolarHBondContact O-CB 3.28Å; E461-S465 PolarHBondContact O-N 3.22Å; A463-S465 VanDerWaalsContact C-N 3.32Å; A463-S465 PolarHBondContact O-N 3.05Å; S465-L469 WeakPolarHBondContact O-CB 3.19Å; S465-L469 PolarHBondContact O-N 3.1Å
466L65Low58.2Low52 Ų5291.3 Ų91.327%0.27252%0.519SS..Hα-helixtrans-66.4-47.8173.8-75169.7000112E462 A463 N468 L469 F470E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 3.08Å; A463-L466 PolarHBondContact O-N 3.28Å; L466-N468 VanDerWaalsContact C-N 3.32Å; L466-N468 PolarHBondContact O-N 3.47Å; L466-L469 PolarHBondContact O-N 2.69Å; L466-L469 VanDerWaalsContact O-N 3.15Å; L466-F470 HydrophobicContact CB-CD2 4.36Å; L466-F470 HydrophobicContact CB-CE2 4.2Å; L466-F470 HydrophobicContact CD2-CE2 4.39Å; L466-F470 WeakPolarHBondContact O-CD2 3.44Å; L466-F470 PolarHBondContact O-N 3.03Å
467D66.6Low58.4Low105 Ų10592.8 Ų92.856%0.56151%0.505SS*.Hα-helixtrans-62-38.6179.2-82.7-25000112.5A463 E464 F470 R471A463-D467 PolarHBondContact O-N 3.3Å; E464-D467 PolarHBondContact O-N 2.92Å; D467-F470 PolarHBondContact O-N 2.61Å; D467-R471 WeakPolarHBondContact O-CB 3.46Å; D467-R471 WeakPolarHBondContact O-CG 3.37Å; D467-R471 PolarHBondContact O-N 2.96Å
468N64.5Low58Low94 Ų9487.3 Ų87.350%0.50349%0.492SS..Hα-helixtrans-65.7-41.3173.7-75.7-44.1000111.7E464 L466 R471 V472E464-N468 VanDerWaalsContact O-CB 3.26Å; E464-N468 WeakPolarHBondContact O-CB 3.37Å; E464-N468 VanDerWaalsContact O-CG 3.25Å; E464-N468 PolarHBondContact O-N 2.94Å; E464-N468 PolarHBondContact O-ND2 3.07Å; L466-N468 VanDerWaalsContact C-N 3.32Å; L466-N468 PolarHBondContact O-N 3.47Å; N468-R471 PolarHBondContact O-N 3.29Å; N468-V472 WeakPolarHBondContact O-CG2 3.07Å; N468-V472 PolarHBondContact O-N 2.76Å
469L62.7Low57.3Low77 Ų7785.9 Ų85.940%0.40350%0.495SS..Hα-helixtrans-64.1-45175.3-172.166.9000111.7W246 S465 L466 R471 V472 V473W246-L469 HydrophobicContact CE3-CD2 3.82Å; W246-L469 HydrophobicContact CZ3-CD2 4.07Å; W246-L469 HydrophobicContact CZ3-CG 4.28Å; S465-L469 WeakPolarHBondContact O-CB 3.19Å; S465-L469 PolarHBondContact O-N 3.1Å; L466-L469 PolarHBondContact O-N 2.69Å; L466-L469 VanDerWaalsContact O-N 3.15Å; L469-R471 VanDerWaalsContact C-N 3.33Å; L469-R471 PolarHBondContact O-N 3.4Å; L469-V472 PolarHBondContact O-N 2.89Å; L469-V473 WeakPolarHBondContact O-CG2 3.35Å; L469-V473 PolarHBondContact O-N 2.93Å
470F59.2Low56Low92 Ų9290.8 Ų90.840%0.40452%0.517SS..Hα-helixtrans-62.7-37.7175.5-74.8-60000112.2V266 L466 D467 S474V266-F470 HydrophobicContact CG1-CE1 4.2Å; L466-F470 HydrophobicContact CB-CD2 4.36Å; L466-F470 HydrophobicContact CB-CE2 4.2Å; L466-F470 HydrophobicContact CD2-CE2 4.39Å; L466-F470 WeakPolarHBondContact O-CD2 3.44Å; L466-F470 PolarHBondContact O-N 3.03Å; D467-F470 PolarHBondContact O-N 2.61Å; F470-S474 WeakPolarHBondContact O-CB 3.25Å; F470-S474 PolarHBondContact O-N 2.8Å; F470-S474 PolarHBondContact O-OG 3.1Å
471R61.2Low54.7Low188 Ų18892.3 Ų92.371%0.70952%0.524SS*.Hα-helixtrans-64-47.4172.7-81.5180167.4-150.7-3.2112.5D467 N468 L469 V473 S474 S475D467-R471 WeakPolarHBondContact O-CB 3.46Å; D467-R471 WeakPolarHBondContact O-CG 3.37Å; D467-R471 PolarHBondContact O-N 2.96Å; N468-R471 PolarHBondContact O-N 3.29Å; L469-R471 VanDerWaalsContact C-N 3.33Å; L469-R471 PolarHBondContact O-N 3.4Å; R471-V473 VanDerWaalsContact C-N 3.33Å; R471-V473 PolarHBondContact O-N 3.48Å; R471-S474 PolarHBondContact O-N 3.15Å; R471-S475 WeakPolarHBondContact O-CB 3.47Å; R471-S475 PolarHBondContact O-N 3.24Å; R471-S475 PolarHBondContact O-OG 3.47Å
472V58.6Low53.2Low94 Ų9493.7 Ų93.757%0.5753%0.53SS*.Hα-helixtrans-57.9-47.7177.41690000110.4N468 L469 S474 S475 G476N468-V472 WeakPolarHBondContact O-CG2 3.07Å; N468-V472 PolarHBondContact O-N 2.76Å; L469-V472 PolarHBondContact O-N 2.89Å; V472-S474 VanDerWaalsContact C-N 3.33Å; V472-S474 PolarHBondContact O-N 3.2Å; V472-S475 WeakPolarHBondContact CA-OG 3.45Å; V472-S475 PolarHBondContact O-N 3.32Å; V472-S475 PolarHBondContact O-OG 3.21Å; V472-G476 PolarHBondContact O-N 3.16Å
473V53.2Low52.1Low34 Ų3495.4 Ų95.421%0.20655%0.55CS.*Hα-helixtrans-64.7-35.4179.6174.60000112.5W246 L469 R471 Q477W246-V473 HydrophobicContact CH2-CB 4.45Å; W246-V473 HydrophobicContact CH2-CG1 4.22Å; W246-V473 HydrophobicContact CH2-CG2 3.46Å; W246-V473 VanDerWaalsContact CH2-CG2 3.46Å; W246-V473 HydrophobicContact CZ2-CG2 4.4Å; W246-V473 HydrophobicContact CZ3-CG2 4.02Å; L469-V473 WeakPolarHBondContact O-CG2 3.35Å; L469-V473 PolarHBondContact O-N 2.93Å; R471-V473 VanDerWaalsContact C-N 3.33Å; R471-V473 PolarHBondContact O-N 3.48Å; V473-Q477 PolarHBondContact O-N 3.01Å; V473-Q477 PolarHBondContact O-NE2 3.34Å
474S51.8Low50.7Low83 Ų8398.4 Ų98.458%0.5857%0.565SS**Hα-helixtrans-71.9-39.3175.7-57.70000112.1F470 R471 V472 Q477F470-S474 WeakPolarHBondContact O-CB 3.25Å; F470-S474 PolarHBondContact O-N 2.8Å; F470-S474 PolarHBondContact O-OG 3.1Å; R471-S474 PolarHBondContact O-N 3.15Å; V472-S474 VanDerWaalsContact C-N 3.33Å; V472-S474 PolarHBondContact O-N 3.2Å; S474-Q477 PolarHBondContact O-N 3.19Å
475S49.9Very low49Very low68 Ų6897.8 Ų97.848%0.47658%0.581SS.*Hα-helixtrans-71-35.6176.165.40000113.1R471 V472 Q477 S478R471-S475 WeakPolarHBondContact O-CB 3.47Å; R471-S475 PolarHBondContact O-N 3.24Å; R471-S475 PolarHBondContact O-OG 3.47Å; V472-S475 WeakPolarHBondContact CA-OG 3.45Å; V472-S475 PolarHBondContact O-N 3.32Å; V472-S475 PolarHBondContact O-OG 3.21Å; S475-Q477 PolarHBondContact O-N 3.01Å; S475-S478 PolarHBondContact O-N 3.19Å; S475-S478 PolarHBondContact O-OG 3.3Å; S475-S478 VanDerWaalsContact O-OG 3.09Å
476G44Very low47.6Very low44 Ų44102.1 Ų102.145%0.45459%0.594SS.*Hα-helixtrans-67.7-20.7176.500000113.8V472V472-G476 PolarHBondContact O-N 3.16Å
477Q46.4Very low46.1Very low107 Ų107102.7 Ų102.750%0.561%0.613SS.*THydrogen-bonded Turntrans-90.3-2.7175.3-72.6178.455.800113.9V473 S474 S475V473-Q477 PolarHBondContact O-N 3.01Å; V473-Q477 PolarHBondContact O-NE2 3.34Å; S474-Q477 PolarHBondContact O-N 3.19Å; S475-Q477 PolarHBondContact O-N 3.01Å
478S39Very low44.7Very low88 Ų88106.7 Ų106.762%0.61563%0.627SS**SBendtrans-108.3-4.1176.866.40000114.9S475S475-S478 PolarHBondContact O-N 3.19Å; S475-S478 PolarHBondContact O-OG 3.3Å; S475-S478 VanDerWaalsContact O-OG 3.09Å
479A37.7Very low43.1Very low71 Ų71107.8 Ų107.859%0.58764%0.642SS**SBendtrans-90.2-28.2-172.300000114.7S481A479-S481 VanDerWaalsContact C-N 3.32Å; A479-S481 PolarHBondContact O-N 3.18Å; A479-S481 VanDerWaalsContact O-N 3.17Å
480D35.7Very low41.9Very low153 Ų153111.9 Ų111.982%0.81866%0.664SS**THydrogen-bonded Turntrans-90.239.1-172.6-68.8-31.8000114
481S36.5Very low40.7Very low107 Ų107116.5 Ų116.575%0.74869%0.687SS**THydrogen-bonded Turntrans-147.213.8-177.8-63.80000115.9A479A479-S481 VanDerWaalsContact C-N 3.32Å; A479-S481 PolarHBondContact O-N 3.18Å; A479-S481 VanDerWaalsContact O-N 3.17Å
482Q32.3Very low39.6Very low186 Ų186112.3 Ų112.387%0.86969%0.687SS**  trans-139.973.8179.1-64.8-168.312.400113.5
483S32.3Very low38.6Very low112 Ų112115.6 Ų115.678%0.78370%0.701SS**  trans-178.2134.1169.11690000107.6
484T34.4Very low37.6Very low105 Ų105119.8 Ų119.864%0.64473%0.73SS**  cis-145.3119.2-5.8-820000107.5M486T484-M486 HydrophobicContact CG2-CB 4.39Å; T484-M486 HydrophobicContact CG2-CG 4.47Å; T484-M486 PolarHBondContact O-N 2.98Å
485A30.2Very low37Very low112 Ų112120.9 Ų120.993%0.92674%0.738SS**  trans-97.668.7178.400000111.4
486M38.9Very low36.4Very low172 Ų172125.6 Ų125.685%0.84776%0.758SS**  trans-134.9142164.1-58-157.2-15000107.6T484T484-M486 HydrophobicContact CG2-CB 4.39Å; T484-M486 HydrophobicContact CG2-CG 4.47Å; T484-M486 PolarHBondContact O-N 2.98Å
487G32.6Very low36.3Very low64 Ų64130 Ų13066%0.6678%0.776SS**  cis157.1447.500000111.2
488H37.1Very low36Very low189 Ų189129.9 Ų129.988%0.87579%0.793SS**  trans-133.2106-178.6-74.3-80.9000111.4
489S30.8Very low36.1Very low117 Ų117129.5 Ų129.582%0.81880%0.803SS**  trans-112.5112.1164.3-173.50000107.5
490L38.5Very low36.4Very low164 Ų164134.5 Ų134.586%0.85982%0.82SS**  trans-110.1139.5168.9-82176.3000109.8
491Q33.8Very low36.6Very low188 Ų188130.6 Ų130.688%0.87982%0.815SS**  trans-86.8132.8-164.2-60.2157.4-63.300112.1
492S37Very low36.8Very low101 Ų101131.5 Ų131.571%0.70682%0.821SS**  trans-163102.314357.20000109.5
493D38.7Very low37.5Very low162 Ų162127.7 Ų127.787%0.86681%0.814SS**  -179.1147.9112-87.9-20.7000111.9
494C32.5Very low38.1Very low122 Ų122132.5 Ų132.582%0.82482%0.821SS**  trans-91.9174.6-164.6-62.40000113.4
495S37.7Very low38.4Very low106 Ų106130.5 Ų130.574%0.74182%0.821SS**  trans82.7108.3168.176.10000117.5
496N38.3Very low39.1Very low167 Ų167134.3 Ų134.389%0.89382%0.82SS**  -153.5158.9112.5-105.4-59.6000112.1
497V40.9Very low39.2Very low137 Ų137134.9 Ų134.983%0.8382%0.821SS**  trans-108140.6-161.3174.10000111.5
498A40.5Very low40.2Very low105 Ų105135.8 Ų135.887%0.86882%0.822SS**  trans-160.9138.7155.900000111.2
499G42.5Very low41Very low79 Ų79131.6 Ų131.681%0.81481%0.812SS**  trans142.382.117000000115.2
500D43Very low42Very low176 Ų176135.3 Ų135.394%0.94181%0.813SS**  trans-63.1158.2171.3-78.6-64.2000113.7
501G40.8Very low42.6Very low71 Ų71133.5 Ų133.573%0.73281%0.811SS**  trans173.332.8171.700000122.9
502C40.4Very low43.2Very low127 Ų127128 Ų12886%0.85881%0.805SS**  trans48.4131.2153.7-79.70000124
503S45.9Very low44.2Very low105 Ų105129 Ų12973%0.73481%0.809SS**  trans98.295.7137.2-59.60000122.9
504K45Very low44.9Very low213 Ų213126.4 Ų126.493%0.92680%0.801SS**  56.9140.1125.7-68.2-174.5174.8-176.90123.7
505G40.9Very low45.7Very low63 Ų63129.2 Ų129.265%0.64980%0.802SS**  trans105.9115.2162.500000112.2
506E44.7Very low45.9Very low193 Ų193129.1 Ų129.190%0.90280%0.801SS**  55.6127.373.4-66-178.9117.200111.8
507E40.9Very low46.3Very low184 Ų184127.4 Ų127.486%0.8679%0.789SS**  cis-152.4-174.521.3-151.5-174.8128.300112.1
508A53.8Low46.4Very low82 Ų82131 Ų13168%0.67879%0.788SS**  trans-87.7-154.3-169.100000114.1
509P53.5Low46.2Very low102 Ų102130.9 Ų130.966%0.66278%0.781SS**  cis-139.5165.6-42.933.5-15.2000116.9
510K51.9Low46.1Very low195 Ų195134.3 Ų134.385%0.84878%0.78SS**  trans66.5172.8140.2-80.4173.3-176.8176.10120.7
511P52.8Low46Very low125 Ų125132.5 Ų132.581%0.81277%0.774SS**  cis-138.3176.1-3737.6-20.7000115.4
512G45Very low45.7Very low73 Ų73132.3 Ų132.375%0.75377%0.773SS**  trans132.8118.3146.100000119.4
513P58.1Low45.8Very low122 Ų122130.6 Ų130.679%0.79277%0.768SS**  trans-106-176.6169.744.6-35.7000111.5
514P53.7Low45.6Very low107 Ų107134.5 Ų134.570%0.69577%0.774SS**  -158.7163.18143-21.9000119.6
515E49.4Very low45.3Very low182 Ų182127.6 Ų127.685%0.8576%0.764SS**  trans69.1150.8134-76.9176.5-17500127.4
516S42.7Very low45.4Very low104 Ų104130.6 Ų130.673%0.72777%0.772SS**  trans89.5134.6148.6-163.10000119.1
517M46.4Very low45.2Very low130 Ų130129.6 Ų129.664%0.6477%0.772SS**  cis-172.1153.3-33.9-131.3-167.7-6100108.8
518R41.9Very low45Very low213 Ų213127.9 Ų127.980%0.80477%0.768SS**  trans66.4116.4160-58.1160.4-170.9-137.2-2115.6
519S37.2Very low44.4Very low103 Ų103131.6 Ų131.672%0.7278%0.775SS**  62.2105.550.4-163.90000114.1
520L40.1Very low43.7Very low151 Ų151130.6 Ų130.679%0.79177%0.771SS**  179.2130.8105.8-91.3166.3000111.5
521V40.6Very low43.4Very low137 Ų137127.6 Ų127.683%0.8376%0.764SS**  trans49.2128.1137.8176.80000119.7
522G35.2Very low43.1Very low67 Ų67128.4 Ų128.469%0.69176%0.761SS**  trans15878.7135.600000119.4
523A42.8Very low43.1Very low92 Ų92133.2 Ų133.276%0.7677%0.765SS**  61.6118.7123.700000121.4
524E41.3Very low42.4Very low186 Ų186133.3 Ų133.387%0.86977%0.768SS**  trans70.4101.5139.5-52.1-62.1132.400120.5
525G39.3Very low41.8Very low69 Ų69137 Ų13771%0.71178%0.776SS**  110.2135.7108.300000117.3
526P41.7Very low41.1Very low125 Ų125135 Ų13581%0.81278%0.776SS**  trans-97.7160.4-166.138.5-35.8000114.1
527L39.9Very low40.8Very low172 Ų172136.4 Ų136.490%0.90178%0.78SS**  trans-131.9142.8160.4-76.4176.1000110.8
528D37.2Very low40.4Very low148 Ų148133.9 Ų133.979%0.79178%0.779SS**  trans-64.9-176.2-179.2-67.8-66.3000114.3
529I42Very low40.2Very low160 Ų160131.9 Ų131.982%0.82179%0.785SS**  trans102.8116.5164.9-56.7158.9000111.9
530S38.8Very low40Very low81 Ų81132 Ų13257%0.56678%0.781SS**  cis-168.2177.6-3.341.20000112.8
531D45.5Very low39.6Very low133 Ų133131.8 Ų131.871%0.71178%0.776SS**  trans108.6139.3143-55.2-43.8000122.3
532D47.3Very low39.2Very low141 Ų141136 Ų13675%0.75478%0.777SS**  trans79.978.1158-57.7-37.8000122.8
533E44.5Very low39.1Very low175 Ų175140.5 Ų140.582%0.81878%0.778SS**  47.1115.6109.1-55.7-84.494.100120.2
534S43.1Very low39.3Very low124 Ų124141.6 Ų141.687%0.86778%0.777SS**  trans-161.8140.6136.235.50000111.7
535E40.3Very low38.9Very low184 Ų184137.7 Ų137.786%0.8677%0.768SS**  trans-84.7157.8-156.9-69.7-174.6113.900116.9
536V35.4Very low38.5Very low141 Ų141144 Ų14486%0.85578%0.776SS**  trans-91124.6167.6179.20000109.3
537V36.5Very low38.2Very low133 Ų133143.3 Ų143.381%0.80677%0.771SS**  trans-130.6140165.1-170.30000110.4
538A37.1Very low37.6Very low76 Ų76140.7 Ų140.763%0.62877%0.767SS**  trans-84.8152.1-157.900000115.5V540A538-V540 PolarHBondContact O-N 3.2Å
539N37.7Very low37.3Very low171 Ų171139.3 Ų139.391%0.91476%0.764SS**  trans-63.5102.8159-78.113.1000109.5E541N539-E541 PolarHBondContact O-N 3.17Å
540V34.4Very low36.6Very low106 Ų106136.5 Ų136.564%0.64276%0.759SS**  trans-82.9106.3171.8177.90000109.2A538 W542A538-V540 PolarHBondContact O-N 3.2Å; V540-W542 PolarHBondContact O-N 3.44Å
541E32Very low36.4Very low146 Ų146139 Ų13968%0.68277%0.77SS**  trans-68.3111.3171.7-175.2-174.4153.400110.4N539 K543N539-E541 PolarHBondContact O-N 3.17Å; E541-K543 PolarHBondContact O-N 3.32Å; E541-K543 IonicContact OE1-NZ 2.69Å; E541-K543 PolarHBondContact OE1-NZ 3.21Å
542W30.5Very low35.5Very low226 Ų226139.6 Ų139.686%0.85677%0.774SS**  trans-87.1101.6174.5-81.187.2000111.4V540V540-W542 PolarHBondContact O-N 3.44Å
543K33.7Very low34.6Very low162 Ų162137.3 Ų137.370%0.70478%0.775SS**  trans-100.8114.5159.7-82.2-165.5176.578.30110.3E541E541-K543 PolarHBondContact O-N 3.32Å; E541-K543 IonicContact OE1-NZ 2.69Å; E541-K543 PolarHBondContact OE1-NZ 3.21Å
544P46.4Very low33.8Very low115 Ų115132.5 Ų132.575%0.74777%0.772SS**  trans-77.5159.416432-32.6000111.6
545P34Very low33.4Very low104 Ų104133.3 Ų133.368%0.67577%0.766SS**  trans-109.8130.2-1597.216.3000115.1
546F30.7Very low32.8Very low202 Ų202129.8 Ų129.889%0.88676%0.762SS**  trans60.2170.2156.7-57.9-69.5000118.4
547P36.1Very low32.7Very low109 Ų109132.3 Ų132.371%0.70876%0.758SS**  cis-114155-14.637.6-25.4000113.6V549P547-V549 PolarHBondContact O-N 3.36Å; P547-V549 VanDerWaalsContact O-N 3.15Å
548S26.7Very low32.4Very low117 Ų117131.9 Ų131.982%0.81876%0.758SS**  trans-72.5100.5170.251.30000111.6S550S548-S550 PolarHBondContact O-N 3.24Å
549V30.4Very low32.4Very low119 Ų119135.2 Ų135.272%0.72176%0.764SS**  trans-7996.7167.3-179.70000109.1P547 T551P547-V549 PolarHBondContact O-N 3.36Å; P547-V549 VanDerWaalsContact O-N 3.15Å; V549-T551 HydrophobicContact CG1-CG2 4.3Å; V549-T551 PolarHBondContact O-N 3.16Å
550S27.1Very low32Very low102 Ų102131.7 Ų131.771%0.71376%0.759SS**  trans-79.687.1171.8164.30000110.6S548 N552S548-S550 PolarHBondContact O-N 3.24Å; S550-N552 PolarHBondContact O-N 3.2Å
551T34.2Very low32.3Very low132 Ų132131 Ų13181%0.8175%0.752SS**  trans-79.192.3160.240.80000109.6V549V549-T551 HydrophobicContact CG1-CG2 4.3Å; V549-T551 PolarHBondContact O-N 3.16Å
552N26.7Very low32.5Very low146 Ų146126 Ų12678%0.78174%0.739SS**  trans-81.8166.9171.7-160.8-1.2000110.6S550S550-N552 PolarHBondContact O-N 3.2Å
553A30.1Very low33.3Very low94 Ų94120.6 Ų120.678%0.77773%0.726SS**SBendtrans68107.3-178.500000115.2
554G27.7Very low33.9Very low73 Ų73118.8 Ų118.875%0.75372%0.719SS**  trans-83.3162.2-176.500000114.6
555N33.6Very low34.3Very low141 Ų141116.1 Ų116.175%0.75470%0.697SS**  trans-144.2127.7149.4-97.8-38000108.9Y557N555-Y557 HydrophobicContact CB-CE2 3.98Å
556S28Very low35.2Very low111 Ų111115 Ų11578%0.77669%0.685SS**  trans-81122.3-179.955.30000111.2
557Y33.4Very low36.1Very low194 Ų194109.5 Ų109.576%0.76166%0.661SS**  trans-128.1127.3164.8-67.1-71.1000110.5N555 L559N555-Y557 HydrophobicContact CB-CE2 3.98Å; Y557-L559 PolarHBondContact O-N 3.02Å
558P30.2Very low36.6Very low124 Ų124112.3 Ų112.381%0.80567%0.667SS**  trans-86.398.5-179.133.1-31.5000110.2A560P558-A560 VanDerWaalsContact C-N 3.27Å; P558-A560 PolarHBondContact O-N 3.31Å
559L36.1Very low37.5Very low145 Ų145113.1 Ų113.176%0.75966%0.658SS**  trans-7879.6172-87164.5000111Y557 N561Y557-L559 PolarHBondContact O-N 3.02Å; L559-N561 HydrophobicContact CD2-CB 4.25Å; L559-N561 PolarHBondContact O-N 2.71Å
560A30.7Very low37.8Very low97 Ų97112 Ų11280%0.80267%0.67SS**  trans-82.147.3163.100000111.1P558P558-A560 VanDerWaalsContact C-N 3.27Å; P558-A560 PolarHBondContact O-N 3.31Å
561N39.8Very low38.2Very low93 Ų93110.1 Ų110.150%0.49767%0.666SS.*  trans-111.1129.6173.5-73.3-13.2000108L559 L563L559-N561 HydrophobicContact CD2-CB 4.25Å; L559-N561 PolarHBondContact O-N 2.71Å; N561-L563 PolarHBondContact O-N 2.94Å
562G36.4Very low38.2Very low41 Ų41111.5 Ų111.542%0.42367%0.668SS.*  trans-60.4139-173.700000112.1L272L272-G562 WeakPolarHBondContact CD1-O 3.19Å; L272-G562 WeakPolarHBondContact CG-O 3.35Å
563L46.6Very low38.5Very low111 Ų111112.5 Ų112.558%0.58167%0.67SS**  trans-117.6124.1166.9-79.9171.1000106.6L269 N561L269-L563 HydrophobicContact CB-CD2 4.5Å; L269-L563 HydrophobicContact CD1-CD1 4.44Å; L269-L563 HydrophobicContact CD2-CB 3.99Å; N561-L563 PolarHBondContact O-N 2.94Å
564F46.9Very low38.8Very low125 Ų125115.9 Ų115.955%0.54867%0.672SS.*  trans-103.3122.1179.6-161-92.1000109N566F564-N566 WeakPolarHBondContact CE1-OD1 3.45Å
565M55.2Low39.2Very low59 Ų59119.1 Ų119.129%0.29167%0.672SS.*  trans-92.4121.5170.7-78-171.8168.800109.8V256 V258 L269 F567V256-M565 HydrophobicContact CB-CE 4.34Å; V256-M565 HydrophobicContact CG1-CE 4.21Å; V258-M565 HydrophobicContact CG2-CE 3.7Å; V258-M565 HydrophobicContact CG2-SD 4.03Å; L269-M565 HydrophobicContact CD1-CE 3.84Å; L269-M565 HydrophobicContact CD2-CB 4.4Å; L269-M565 HydrophobicContact CD2-CE 3.86Å; L269-M565 HydrophobicContact CD2-CG 3.32Å; L269-M565 HydrophobicContact CD2-SD 4.46Å; L269-M565 HydrophobicContact CG-CE 3.84Å; L269-M565 HydrophobicContact CG-CG 4.12Å; M565-F567 HydrophobicContact CB-CD2 4.45Å; M565-F567 HydrophobicContact CB-CE1 4.45Å; M565-F567 HydrophobicContact CB-CE2 4.09Å; M565-F567 HydrophobicContact CB-CZ 4.11Å; M565-F567 HydrophobicContact CG-CZ 4.41Å; M565-F567 HydrophobicContact SD-CE1 3.85Å; M565-F567 HydrophobicContact SD-CE2 4.24Å; M565-F567 HydrophobicContact SD-CZ 3.45Å; M565-F567 WeakPolarHBondContact SD-CZ 3.4Å
566N52.4Low39.8Very low79 Ų79118.4 Ų118.442%0.42268%0.675SS.*EExtended strand (participates in β ladder)trans-88.4111.1161.5-74.8-49.4000108.9G267 F564G267-N566 VanDerWaalsContact CA-O 3.28Å; G267-N566 WeakPolarHBondContact CA-O 3.26Å; F564-N566 WeakPolarHBondContact CE1-OD1 3.45Å
567F50.7Low40Very low88 Ų88116.2 Ų116.239%0.38667%0.67SS.*EExtended strand (participates in β ladder)trans-92.2100.3174.4-71.5-57.5000111.1Y265 M565 H569Y265-F567 VanDerWaalsContact CB-CE1 3.48Å; Y265-F567 HydrophobicContact CD1-CD1 4.45Å; Y265-F567 HydrophobicContact CG-CD1 4.35Å; Y265-F567 HydrophobicContact CG-CE1 4.34Å; M565-F567 HydrophobicContact CB-CD2 4.45Å; M565-F567 HydrophobicContact CB-CE1 4.45Å; M565-F567 HydrophobicContact CB-CE2 4.09Å; M565-F567 HydrophobicContact CB-CZ 4.11Å; M565-F567 HydrophobicContact CG-CZ 4.41Å; M565-F567 HydrophobicContact SD-CE1 3.85Å; M565-F567 HydrophobicContact SD-CE2 4.24Å; M565-F567 HydrophobicContact SD-CZ 3.45Å; M565-F567 WeakPolarHBondContact SD-CZ 3.4Å; F567-H569 PolarHBondContact O-N 3.42Å
568M46.3Very low39.9Very low167 Ų167115.3 Ų115.382%0.82368%0.676SS**  trans-74.6104.5168.8-67.1-78.6-106.200108.6
569H45.1Very low40.2Very low135 Ų135116.2 Ų116.263%0.62568%0.679SS**  trans-74.3135.6163.9-75.567.7000108.4Y265 F567 G571Y265-H569 AromaticContact CE1-CE1 3.84Å; Y265-H569 AromaticContact CE1-NE2 3.57Å; F567-H569 PolarHBondContact O-N 3.42Å; H569-G571 VanDerWaalsContact C-N 3.32Å; H569-G571 PolarHBondContact O-N 3.23Å
570G37.2Very low40.1Very low95 Ų95112 Ų11298%0.97967%0.671SS**SBendtrans-6489.1174.900000111.6
571G34.5Very low40.2Very low62 Ų62115.8 Ų115.864%0.63968%0.678SS**  trans-149.3139.5177.900000108.8H569 M573H569-G571 VanDerWaalsContact C-N 3.32Å; H569-G571 PolarHBondContact O-N 3.23Å; G571-M573 PolarHBondContact O-N 3.45Å
572L34.2Very low39.8Very low161 Ų161114.4 Ų114.484%0.84369%0.685SS**  trans-54.4133.5-167.1-63.6166000112.8M574L572-M574 PolarHBondContact O-N 3.38Å
573M33.7Very low39.7Very low167 Ų167119.8 Ų119.882%0.82370%0.704SS**  trans-56.6127.8171.1-84.2164.849.500110.9G571G571-M573 PolarHBondContact O-N 3.45Å
574M37.3Very low39Very low165 Ų165120.2 Ų120.281%0.81371%0.712SS**  trans-112.7121153.6-66.5106.9179.300108L572 P576L572-M574 PolarHBondContact O-N 3.38Å; M574-P576 WeakPolarHBondContact O-CD 3.28Å
575D34.7Very low38.4Very low141 Ų141119.6 Ų119.675%0.75472%0.718SS**  trans-65.2123.4174.4-70.1-51.7000110.8G577D575-G577 PolarHBondContact O-N 3.16Å
576P45.8Very low37.3Very low127 Ų127124.9 Ų124.983%0.82575%0.746SS**  trans-81.995.5166.930.2-26.5000109.1M574M574-P576 WeakPolarHBondContact O-CD 3.28Å
577G33.3Very low36.5Very low65 Ų65124.8 Ų124.867%0.6776%0.763SS**  trans-58.5150.717300000113.4D575 V579D575-G577 PolarHBondContact O-N 3.16Å; G577-V579 PolarHBondContact O-N 3.38Å
578I30.8Very low35.5Very low175 Ų175124.6 Ų124.690%0.89779%0.787SS**  trans-52.9123.1-178.9-63.6159.1000112
579V36.2Very low34.9Very low143 Ų143119.7 Ų119.787%0.86778%0.778SS**  trans-132.9117.3157.8-178.20000108.2G577G577-V579 PolarHBondContact O-N 3.38Å
580G33.7Very low34.4Very low57 Ų57119.5 Ų119.559%0.58879%0.787SS**  trans-98.2166.5-17600000114.6
581N33.1Very low34.4Very low175 Ų175123.1 Ų123.194%0.93678%0.778SS**  trans41.1115.7150.8-61.5-3.6000119.5
582G31.7Very low34.4Very low64 Ų64125.1 Ų125.166%0.6678%0.783SS**  trans-171.8100.5164.200000115.6
583N35.4Very low34.6Very low154 Ų154126.5 Ų126.582%0.82478%0.782SS**  trans105.5107.6150.8-53.8-26.6000117.6
584T31.4Very low34.8Very low120 Ų120125.5 Ų125.574%0.73678%0.78SS**  72.6122.373.4-47.40000110.4
585V34.2Very low34.8Very low113 Ų113121 Ų12169%0.68578%0.775SS**  178.8125.696.9153.70000110.1
586I31.9Very low34.8Very low170 Ų170123.2 Ų123.287%0.87278%0.781SS**  trans50.6136.4146-52.8171.5000118.6
587G35.1Very low34.4Very low76 Ų76123 Ų12378%0.78478%0.778SS**  cis173.3172.35.400000106.3
588G30.2Very low34.5Very low85 Ų85123.8 Ų123.888%0.87677%0.773SS**  cis140.8131.115.900000108.6
589G34.4Very low34.6Very low63 Ų63122.5 Ų122.565%0.64977%0.767SS**  trans115.799.5176.900000114.3
590T33.4Very low34.5Very low131 Ų131125.2 Ų125.280%0.80476%0.762SS**  72.1138.177.766.10000112.5
591E38.3Very low34.5Very low172 Ų172128.8 Ų128.880%0.80477%0.767SS**  cis-148.8131.429.7-67.1173.3177.100110.2
592S34.3Very low34.7Very low104 Ų104127.3 Ų127.373%0.72776%0.755SS**  73.5122.796.6-53.60000117.3
593F38Very low34.8Very low189 Ų189130.9 Ų130.983%0.82976%0.759SS**  -174118.7121.2-116.3-90.4000113.1
594N37.7Very low35.1Very low147 Ų147128.2 Ų128.279%0.78675%0.75SS**  trans32.3136.2152-56.6-11.8000122.7
595G37.2Very low35.4Very low69 Ų69129.6 Ų129.671%0.71175%0.752SS**  cis175.8-177.1-3.300000115.5
596Q34.7Very low35.4Very low188 Ų188129.9 Ų129.988%0.87975%0.75SS**  trans52.3118.3145.5-107.6-170.3-4300117.6
597V37.5Very low35.7Very low123 Ų123129.2 Ų129.275%0.74575%0.746SS**  cis-172.515849.2159.20000108
598S35Very low35.8Very low82 Ų82130 Ų13057%0.57375%0.745SS**  cis-178.5124.6-33.6-81.40000109.9
599L34.1Very low36Very low147 Ų147134.7 Ų134.777%0.7774%0.738SS**  trans69.1149.8150.8-52.8169000117.4
600R33.8Very low36.8Very low200 Ų200137.7 Ų137.776%0.75575%0.746SS**  cis-165.9151.711.5-130.7161.9-173.2-175.41.6111
601N34.2Very low37.3Very low132 Ų132135.9 Ų135.971%0.70674%0.744SS**  trans39.5151.5140.5-67.836.4000121.9
602E36.2Very low38.1Very low144 Ų144133.4 Ų133.467%0.67374%0.743SS**  cis169.7133.3-16.6-96.1-129.3-147.800104.3
603N33.4Very low39.1Very low140 Ų140134.6 Ų134.675%0.74975%0.748SS**  trans39.6163.2136.8-88.8-27.1000123.4
604P41.9Very low39Very low97 Ų97135.5 Ų135.563%0.6375%0.752SS**  cis-143.5-169.7-2141-22.2000114.9
605L37.3Very low39.4Very low149 Ų149136.2 Ų136.278%0.7875%0.752SS**  trans77.2142148.5-73.7173.5000123.2
606N36Very low39.7Very low120 Ų120138.5 Ų138.564%0.64275%0.748SS**  trans85.992.9146.4-72.6-8.7000123.5
607I37.3Very low40.1Very low156 Ų156133.8 Ų133.880%0.874%0.737SS**  69.4136105.2-70.3171.6000121.2
608A37.2Very low40.4Very low92 Ų92133.4 Ų133.476%0.7673%0.73SS**  trans95.4116.4154.600000120.9
609Y34.2Very low40.9Very low183 Ų183137.5 Ų137.572%0.71874%0.74SS**  trans-94.4158.9156.6-82.9-90.7000110.9
610P51.6Low41.3Very low127 Ų127135.8 Ų135.883%0.82574%0.74SS**  trans-130.7160146.135.4-22.4000114.4
611A44.5Very low41.5Very low92 Ų92130.6 Ų130.676%0.7674%0.741SS**PPolyproline II helixtrans-89.1168.9-172.400000114.9
612P54.3Low42.1Very low121 Ų121129.6 Ų129.679%0.78674%0.741SS**PPolyproline II helixtrans-84.7160.1161.835.1-32.9000112.5
613P54.5Low42.2Very low128 Ų128127.2 Ų127.283%0.83174%0.74SS**PPolyproline II helixtrans-102.5156.6-15538-36.2000117
614F36Very low42.6Very low209 Ų209126.6 Ų126.692%0.91774%0.742SS**PPolyproline II helixtrans-94.3138.5157.1-101.5-90.4000110.4
615M46.6Very low42.4Very low161 Ų161127 Ų12779%0.79375%0.747SS**  trans-160.7146158-81.5-151.5148.800107.4
616N42.5Very low42.7Very low117 Ų117125.1 Ų125.163%0.62674%0.742SS**  cis-160.8162.85-113.6-7000111
617S45Very low43Very low90 Ų90129.2 Ų129.263%0.62975%0.754SS**  trans62.4140.6144.1-67.90000120.8
618D43.5Very low43.1Very low115 Ų115124.9 Ų124.962%0.61575%0.748SS**  cis-157.3156.5-5.5-110.9-45.5000112.4
619Q44.7Very low43.3Very low167 Ų167126.2 Ų126.278%0.7875%0.751SS**  trans2148142.5-62.1169.178.400118.4
620S42.2Very low43.9Very low111 Ų111122.9 Ų122.978%0.77676%0.755SS**  cis-171.9167.14.643.10000110.1
621A38.5Very low44Very low92 Ų92122 Ų12276%0.7675%0.75SS**  trans-75.3-169.917400000112.4
622P47.1Very low44.2Very low110 Ų110125.7 Ų125.771%0.71476%0.755SS**  cis-138.2172.6-6.741.1-22.7000116.7
623S37.6Very low43.6Very low94 Ų94123 Ų12366%0.65775%0.748SS**  trans49.5134.3141.8700000124
624T42.1Very low42.9Very low128 Ų128123 Ų12379%0.78575%0.751SS**  trans115.2135.5141.171.60000119.1
625S37.4Very low43.2Very low104 Ų104117.1 Ų117.173%0.72774%0.741SS**  trans78112.9142.9-79.40000122.5
626V45.1Very low42.9Very low111 Ų111114.3 Ų114.367%0.67374%0.744SS**  92.6109.2118.9171.30000118.8
627K41.8Very low42.8Very low205 Ų205112 Ų11289%0.89174%0.741SS**  trans55.9135.2143.5-64.2172.7-169.7173.30119.7
628G37.9Very low42.8Very low66 Ų66116.2 Ų116.268%0.6875%0.75SS**  trans150.888.1134.500000117
629S42.5Very low42.6Very low119 Ų119115.5 Ų115.583%0.83275%0.754SS**  trans39.4113.7140.852.10000120.6
630S45.8Very low42.7Very low114 Ų114115.2 Ų115.280%0.79776%0.756SS**  trans-52.8170.1150.2-33.50000112.2
631P55.2Low42.6Very low109 Ų109116.7 Ų116.771%0.70876%0.755SS**  -158.1167.186.442.7-23.8000118.7
632I47.4Very low42.8Very low169 Ų169124.5 Ų124.587%0.86777%0.765SS**  trans65.2132.3149.2-65.4152.5000118.8
633G41.5Very low42.7Very low63 Ų63127 Ų12765%0.64977%0.772SS**  cis164.1172.1-7.100000114.5
634S41.5Very low43.9Very low129 Ų129127.7 Ų127.790%0.90277%0.774SS**  trans61.7147.4163.8-730000120.3
635A41Very low44.8Very low85 Ų85127.3 Ų127.370%0.70277%0.774SS**  cis-170.4159.2-14.300000111
636A40.8Very low45.6Very low102 Ų102127.5 Ų127.584%0.84377%0.772SS**  trans61.415615100000120.2
637A41.2Very low45.6Very low68 Ų68126.9 Ų126.956%0.56278%0.779SS**  cis-170.5171.4-23.700000109.6
638H44Very low45.6Very low180 Ų180126 Ų12683%0.83378%0.775SS**  trans73.1115.8168.7-47.7-64.4000116.4
639S38.9Very low46.2Very low99 Ų99129 Ų12969%0.69278%0.781SS**  83.211756.7-174.60000113.8
640I46.4Very low46.2Very low161 Ų161134 Ų13483%0.82678%0.782SS**  -178.4139.7122.6-87.4151.5000110.4
641N40.1Very low46.5Very low142 Ų142136.5 Ų136.576%0.75978%0.782SS**  trans-65.8152.2-171.4-51.5-66.7000116.4
642R43.1Very low46.8Very low256 Ų256136.9 Ų136.997%0.96678%0.784SS**  trans-158.7131.1132.5-108.9168.6-169.4-150.90.8111.7
643L45.2Very low46.5Very low164 Ų164138.3 Ų138.386%0.85979%0.785SS**PPolyproline II helixtrans-90.2155.7-172.4-71.2159.8000112.8
644P62.5Low46.6Very low108 Ų108142.2 Ų142.270%0.70179%0.789SS**PPolyproline II helixtrans-84.8155.816735.7-33.7000112.2
645P62.4Low47Very low120 Ų120141.3 Ų141.378%0.77978%0.78SS**PPolyproline II helixtrans-78.1146.1171.632.4-33.6000111.8
646P52.4Low47.2Very low107 Ų107143.1 Ų143.170%0.69578%0.782SS**PPolyproline II helixtrans-84.2148.7-177.133.7-35.1000113.1
647A45Very low47.3Very low98 Ų98149.3 Ų149.381%0.8179%0.786SS**PPolyproline II helixtrans-80130.2168.500000110.6
648F41.9Very low47.5Very low187 Ų187154.9 Ų154.982%0.8280%0.798SS**PPolyproline II helixtrans-94.1118.9168.2-91.9-92.7000109.7
649V51.5Low47.4Very low130 Ų130149.8 Ų149.879%0.78879%0.794SS**PPolyproline II helixtrans-98.4131.1163.5177.50000107.2
650Y42.5Very low47.8Very low222 Ų222152.5 Ų152.587%0.87180%0.799SS**  trans-95.4112.2177.8-124.7-92.4000108.8
651E51.5Low48Very low167 Ų167150.5 Ų150.578%0.7880%0.796SS**PPolyproline II helixtrans-88144.5164.3-78.8-165.7144.600110.7
652P61.5Low48.1Very low117 Ų117153.4 Ų153.476%0.7680%0.802SS**PPolyproline II helixtrans-77.6123.5170.831-31.8000111.3I654P652-I654 PolarHBondContact O-N 2.61Å
653F41.3Very low48Very low200 Ų200146.2 Ų146.288%0.87780%0.798SS**PPolyproline II helixtrans-62.7127.4174.2-112.7-107.8000112
654I44.4Very low48.1Very low144 Ų144146.6 Ų146.674%0.73880%0.797SS**  trans-116.5117.3161.1-59.8177.6000108.2P652 T656P652-I654 PolarHBondContact O-N 2.61Å; I654-T656 PolarHBondContact O-N 3.41Å
655P50.1Low47Very low110 Ų110150.4 Ų150.471%0.71480%0.803SS**  trans-87.994.7179.633-32.1000111.8
656T45.6Very low46.8Very low123 Ų123149.3 Ų149.376%0.75580%0.796SS**  trans-85.5108.4161.4420000110.5I654I654-T656 PolarHBondContact O-N 3.41Å
657Y42.9Very low46.5Very low232 Ų232155.5 Ų155.591%0.9181%0.807SS**  trans-94.4115.1171.4-125.4-89.3000110.6
658F44.4Very low47Very low186 Ų186156.1 Ų156.182%0.81680%0.803SS**  trans-88.8147.7166.3-104.9-96.1000109.8
659G41.9Very low47.1Very low73 Ų73152.3 Ų152.375%0.75381%0.806SS**  trans-174.653.6-179.400000117.9
660I46.5Very low46.6Very low156 Ų156149.4 Ų149.480%0.880%0.802SS**  trans-86.7133.8172-58.3167.8000110.8
661P52.3Low46.5Very low119 Ų119144.9 Ų144.977%0.77380%0.801SS**  trans-97108.1167.533.5-28000113.7
662K40.6Very low46.1Very low202 Ų202144.1 Ų144.188%0.87880%0.8SS**  trans8.3129.5150.8-68.3166.9177.61680120.8
663A41.4Very low45.1Very low106 Ų106147.3 Ų147.388%0.87680%0.802SS**  trans-77.9165.1158.700000113.4
664M47Very low45.2Very low171 Ų171141.8 Ų141.884%0.84279%0.793SS**  trans-141.597.9-176.2-169168.4-171.600114.1
665F40.1Very low45Very low189 Ų189143.4 Ų143.483%0.82980%0.797SS**  trans54.9170.6142.1-79.9-82.4000121.5
666P57.5Low44.8Very low97 Ų97142.7 Ų142.763%0.6379%0.792SS**  cis-131.4164.1-16.632.4-14.5000115.6
667Y47.2Very low44.7Very low237 Ų237144.9 Ų144.993%0.92979%0.794SS**  trans-149.9142.8136.1-95.1-73.9000109.8
668P54.2Low44.5Very low111 Ų111139.5 Ų139.572%0.72179%0.79SS**  trans-115.8168.3-161.341.7-33.9000117.4
669A44.7Very low44.2Very low107 Ų107134.4 Ų134.488%0.88478%0.783SS**  trans80.1132.2153.400000119.5
670G42.2Very low44Very low68 Ų68135.6 Ų135.670%0.70179%0.785SS**  trans170.413.4169.200000123.8
671C39.6Very low43.5Very low128 Ų128135.1 Ų135.187%0.86578%0.78SS**  trans63.8162.7165.4-56.30000117.6
672M43Very low42.8Very low151 Ų151136.4 Ų136.474%0.74478%0.775SS**  cis-162.4148.5-30-108-54.9-166.200109.2
673F40.5Very low42.5Very low184 Ų184133.8 Ų133.881%0.80777%0.766SS**  trans70127.4155.9-88-89000124.8
674A42.8Very low42.1Very low83 Ų83134.8 Ų134.869%0.68676%0.755SS**  trans82.59013700000122.2
675H40Very low41.5Very low179 Ų179135.3 Ų135.383%0.82975%0.753SS**  37.1148.8102-124.5-123.7000119.9
676P46.3Very low41.3Very low94 Ų94132.6 Ų132.661%0.6175%0.752SS**  -150.3-130.5-10341.6-15.1000111.5
677Q42.9Very low40.2Very low169 Ų169133 Ų13379%0.7975%0.749SS**  trans85.7128.4161.8-69.9-165.5-17.700118.7
678S39.2Very low39.7Very low119 Ų119125.2 Ų125.283%0.83273%0.733SS**  trans75.8139.7145.4-167.50000118.3
679A38.2Very low38.7Very low80 Ų80123 Ų12366%0.66173%0.73SS**  cis-171137.5-27.700000106.7
680A38.3Very low38.2Very low97 Ų97125.4 Ų125.480%0.80273%0.727SS**  trans59.2172.4168.200000114
681H35.4Very low38Very low147 Ų147129.5 Ų129.568%0.68173%0.731SS**  cis-149.7161.5-3.5-158.7-145.3000108.1
682Q38.1Very low38.6Very low146 Ų146128.8 Ų128.868%0.68273%0.725SS**  trans63.4155.2162.2-74.5153.9-6.600117.7
683Q33.9Very low38.8Very low147 Ų147125.8 Ų125.869%0.68772%0.717SS**  cis-178.3131.2-40.5-117-179.2-4600103.5
684I33.9Very low38.5Very low126 Ų126120.2 Ų120.265%0.64671%0.711SS**  trans68.8108.6138-66.5171.4000118.5
685F34.2Very low38.2Very low183 Ų183126.3 Ų126.380%0.80372%0.718SS**  trans54.3130140.7-70.1-108.7000120.6
686T35.8Very low37.9Very low131 Ų131124.8 Ų124.880%0.80472%0.716SS**  -177.1149.591.834.50000112.5
687D34.3Very low37.5Very low107 Ų107127.8 Ų127.857%0.57273%0.726SS**  trans-175.2115.4154-99.5-15000107.4S112S112-D687 WeakPolarHBondContact CB-OD1 3.45Å; S112-D687 WeakPolarHBondContact CB-OD2 3.17Å; S112-D687 PolarHBondContact OG-OD2 3.39Å
688A35.6Very low37Very low72 Ų72126.5 Ų126.560%0.59572%0.72SS**  69.4129.377.900000114
689G33.4Very low36.7Very low64 Ų64129.2 Ų129.266%0.6671%0.713SS**  cis176.7163.4-8.500000113.1
690I35Very low36.6Very low158 Ų158128.6 Ų128.681%0.8172%0.715SS**  trans50.5104.5140-51.3173.2000118.7
691I38.4Very low36.3Very low154 Ų154133.7 Ų133.779%0.7971%0.713SS**  65.514078.1-65174000115.9
692P52.4Low36.2Very low114 Ų114131.3 Ų131.374%0.7471%0.713SS**  cis-116.5-92.9-29.930.3-7000111.6
693P46.5Very low36Very low88 Ų88129.4 Ų129.457%0.57172%0.716SS**  cis-126127.3-22.434.2-13.8000117.2Y695P693-Y695 WeakPolarHBondContact O-CE2 2.92Å
694G33.7Very low35.9Very low66 Ų66127.6 Ų127.668%0.6872%0.718SS**  trans84.1161.3154.400000118.2
695Y36.3Very low36.1Very low212 Ų212128.7 Ų128.783%0.83173%0.725SS**  cis-146.6150.37.1-60.5-88.9000112P693P693-Y695 WeakPolarHBondContact O-CE2 2.92Å
696N33.5Very low36.1Very low147 Ų147127 Ų12779%0.78672%0.724SS**  trans-64.3150.7167.9-71.5-70.1000111.9
697L38.2Very low36.3Very low156 Ų156125.1 Ų125.182%0.81772%0.721SS**  -167.3113.5122.9-90.9134.7000106.5
698E32.8Very low36.7Very low142 Ų142124.5 Ų124.566%0.66473%0.731SS**  76.6130.268.9-86.6-157.6129.800116
699Y32.3Very low37Very low177 Ų177124.5 Ų124.569%0.69474%0.738SS**  trans75.3140.2150.1-86.6-111.1000122
700G36.2Very low37.3Very low67 Ų67127.3 Ų127.369%0.69175%0.746SS**  trans134.656.6174.400000113.3
701R32.1Very low37.6Very low203 Ų203124.1 Ų124.177%0.76674%0.738SS**  41.899.184.3-88.4-168.9-177.1-175.92.9112.2
702S32.8Very low38Very low97 Ų97123.7 Ų123.768%0.67874%0.743SS**  81120.483.1700000114.8
703S34.5Very low37.5Very low107 Ų107123.3 Ų123.375%0.74875%0.749SS**  trans176.4118.9140.4510000108.9
704C32.5Very low37.2Very low108 Ų108122.1 Ų122.173%0.7375%0.753SS**  78.7119.396.9-60.70000111.9
705L37.1Very low37.5Very low150 Ų150124.3 Ų124.379%0.78576%0.758SS**  56.1125.490.1-60.3164.7000110.4
706D35.9Very low37.8Very low147 Ų147121 Ų12179%0.78676%0.76SS**  -174.2165.670.6-121.3-35.9000115.4
707A39.2Very low38Very low91 Ų91117.5 Ų117.575%0.75276%0.759SS**  trans62.6164.5147.900000119.9
708A42.6Very low38.1Very low94 Ų94114.9 Ų114.978%0.77776%0.759SS**  cis-155.7153.110.400000114.5
709G41.7Very low38.4Very low72 Ų72112.6 Ų112.674%0.74277%0.765SS**  trans69.2165.6152.600000118.6
710C40Very low38.8Very low123 Ų123108.8 Ų108.883%0.83176%0.764SS**  cis-172163.1-10.2-99.80000107.9
711S41.4Very low39.1Very low91 Ų91112.9 Ų112.964%0.63677%0.77SS**  cis-177.5149.8-25.5-94.30000109.4
712T46.4Very low39.5Very low146 Ų146110.4 Ų110.490%0.89677%0.767SS**  trans61.1146.5165.358.70000118.6
713A41.9Very low39.9Very low105 Ų105111.2 Ų111.287%0.86877%0.768SS**  cis-163.3-178.9-12.200000107
714G39.6Very low40.5Very low64 Ų64112.3 Ų112.366%0.6676%0.764SS**  cis172.6-169.62.600000112.9
715S41.5Very low41.3Very low111 Ų111111.3 Ų111.378%0.77676%0.757SS**  trans48108.7166.766.20000122.5
716T41.5Very low41.6Very low144 Ų144109.8 Ų109.888%0.88375%0.754SS**  33.5143.8122.160.50000121.8
717G37.6Very low42Very low73 Ų73111.9 Ų111.975%0.75375%0.751SS**  cis160.3152.6-3.400000114.2
718A39.8Very low42.2Very low100 Ų100117.1 Ų117.183%0.82675%0.751SS**  trans60.2133.7155.700000124.8
719A40.3Very low42.1Very low94 Ų94117.5 Ų117.578%0.77775%0.748SS**  trans67.5150.4141.200000121.2
720S41.2Very low42.2Very low98 Ų98120.2 Ų120.269%0.68575%0.75SS**  cis-171.6175.2-13.9-90.90000111
721N41.8Very low41.7Very low153 Ų153120.5 Ų120.582%0.81875%0.752SS**  trans83.3113.3164.9-50.4-27.9000117.5
722E39.9Very low41.7Very low151 Ų151122.3 Ų122.371%0.70676%0.759SS**  77160.286.2-85.5-75.868.500115.5
723V41.9Very low41.3Very low114 Ų114120.2 Ų120.269%0.69175%0.75SS**  cis-153.3125.922.481.20000116.3
724L47.4Very low41.2Very low129 Ų129120.9 Ų120.968%0.67574%0.744SS**  trans55-176.6139.8-56.6178.6000122.6
725P48.1Very low41.2Very low87 Ų87125.6 Ų125.657%0.56575%0.753SS**  -148.5-148.7-100.945.8-21.3000118
726T44.9Very low41Very low119 Ų119125 Ų12573%0.7376%0.755SS**  trans79.3150.9161.139.60000119.8
727R43.3Very low40.6Very low190 Ų190122.8 Ų122.872%0.71775%0.751SS**  cis-164.1148.47.6-132.1169.8-171.6-151.55.6113.6
728R43.2Very low40.5Very low202 Ų202123.1 Ų123.176%0.76275%0.747SS**  trans54.7155.5142.4-80.9175177.3179.4-5121.3
729S41.6Very low40.2Very low102 Ų102124.6 Ų124.671%0.71375%0.746SS**  cis-168.6149.5-0.641.70000115
730V43Very low40.1Very low128 Ų128128.2 Ų128.278%0.77674%0.744SS**  trans69.6128.3146174.60000120.8
731C30.4Very low39.7Very low129 Ų129129.6 Ų129.687%0.87275%0.753SS**  trans-135.3145.6161.4-60.40000111.3
732T41.3Very low39.7Very low129 Ų129128 Ų12879%0.79175%0.749SS**  trans-147.9139.8165.445.10000105.5
733S37.6Very low39.7Very low102 Ų102125.3 Ų125.371%0.71374%0.744SS**  cis-164167.15.749.30000111.4
734T39.7Very low39.5Very low119 Ų119129.4 Ų129.473%0.7376%0.759SS**  trans76131.8152.88.40000121.7
735L38.8Very low38.8Very low164 Ų164130.1 Ų130.186%0.85976%0.763SS**  trans61.698.3152.5-72.7152.7000119.8
736A36.9Very low38.2Very low98 Ų98131 Ų13181%0.8177%0.771SS**  176.4136.497.600000114
737A34.8Very low37.7Very low97 Ų97130.1 Ų130.180%0.80277%0.769SS**  trans28.8117.7150.300000122.7
738A33.8Very low37.5Very low80 Ų80126.6 Ų126.666%0.66177%0.771SS**  76.6102.1119.300000122.1
739T34.9Very low37.1Very low131 Ų131120.8 Ų120.880%0.80476%0.757SS**  75.8155.3129.568.70000121
740K37.1Very low36.9Very low171 Ų171119.3 Ų119.374%0.74375%0.752SS**  trans70.188.4167-68.6177.3179.6174.20116.7V742K740-V742 HydrophobicContact CB-CG2 4.25Å; K740-V742 PolarHBondContact O-N 3.31Å
741S34.2Very low36.5Very low126 Ų126114.4 Ų114.488%0.88173%0.726SS**  -15.2111.611652.70000114.5
742V41.4Very low36.8Very low120 Ų120113.5 Ų113.573%0.72771%0.71SS**  trans-145.2150.4169.7176.50000104.6K740K740-V742 HydrophobicContact CB-CG2 4.25Å; K740-V742 PolarHBondContact O-N 3.31Å
743P38.9Very low36.6Very low94 Ų94111.6 Ų111.661%0.6171%0.707SS**  cis-122.7160.9-25.234.7-20.3000112.2
744M37.6Very low36.9Very low201 Ų201109.5 Ų109.599%0.9969%0.686SS**  trans-144.157.3139.2-89.6-53.6170.800108.9
745D34.5Very low37.3Very low144 Ų144105.7 Ų105.777%0.7766%0.66SS**  trans-122.8111.9163.4-155.1-2.3000105.9
746S34.2Very low37.4Very low105 Ų105104.2 Ų104.273%0.73465%0.652SS**  trans161.4109.9157.4-80.30000112
747C34.1Very low37.6Very low100 Ų100107.5 Ų107.568%0.67665%0.648SS**  56.6156.6109.3-680000120.3
748P40Very low37.7Very low117 Ų117108 Ų10876%0.7664%0.641SS**  cis-135.2146.42242.4-25.1000117.1
749V35.5Very low37.9Very low79 Ų79109.5 Ų109.548%0.47964%0.64SS.*  18.9139.9104.6-179.70000117.4S210S210-V749 WeakPolarHBondContact OG-CG2 2.81Å
750A36.7Very low38.1Very low72 Ų72108.3 Ų108.360%0.59563%0.631SS**  trans66.497166.300000116.5
751G33.6Very low38.2Very low24 Ų24104.6 Ų104.625%0.24762%0.624CS.*  trans-82.1118.9135.700000109.3R208R208-G751 WeakPolarHBondContact CB-O 3.35Å; R208-G751 WeakPolarHBondContact CD-O 3.5Å; R208-G751 VanDerWaalsContact CG-O 3.23Å; R208-G751 WeakPolarHBondContact CG-O 3.44Å
752E37.4Very low38.4Very low111 Ų111103.3 Ų103.352%0.51961%0.608SS.*  trans-127.387143.3-78.9-169-138.900106.3K206 P207 E754K206-E752 WeakPolarHBondContact O-CG 3.45Å; P207-E752 WeakPolarHBondContact CA-OE1 3.48Å; P207-E752 WeakPolarHBondContact CB-OE1 3.19Å; E752-E754 HydrophobicContact CB-CB 4.27Å; E752-E754 HydrophobicContact CB-CG 4.15Å; E752-E754 HydrophobicContact CG-CG 4.42Å; E752-E754 PolarHBondContact O-N 3.24Å
753A37.1Very low38.2Very low88 Ų88102.1 Ų102.173%0.72760%0.6SS**  trans-77.253.1165.600000108.6K205K205-A753 WeakPolarHBondContact CE-O 2.82Å; K205-A753 PolarHBondContact NZ-O 3.19Å
754E44.1Very low38.2Very low59 Ų59102.7 Ų102.728%0.27660%0.599SS.*  trans-116.3154.9-163.1-53.9-106.88.700111.4K205 K206 E752K205-E754 VanDerWaalsContact C-CD 3.45Å; K205-E754 WeakPolarHBondContact CA-OE1 3.19Å; K205-E754 HydrophobicContact CB-CB 3.68Å; K205-E754 HydrophobicContact CB-CG 4.25Å; K205-E754 WeakPolarHBondContact CB-OE1 3.08Å; K205-E754 HydrophobicContact CD-CB 3.85Å; K205-E754 HydrophobicContact CD-CG 3.78Å; K205-E754 WeakPolarHBondContact CD-OE1 3.38Å; K205-E754 HydrophobicContact CG-CB 4.28Å; K205-E754 HydrophobicContact CG-CG 4.49Å; K205-E754 WeakPolarHBondContact CG-OE1 3.25Å; K206-E754 WeakPolarHBondContact CB-OE2 3.33Å; K206-E754 WeakPolarHBondContact CD-OE2 3.36Å; K206-E754 PolarHBondContact N-OE1 3.02Å; K206-E754 WeakPolarHBondContact O-CG 3.34Å; E752-E754 HydrophobicContact CB-CB 4.27Å; E752-E754 HydrophobicContact CB-CG 4.15Å; E752-E754 HydrophobicContact CG-CG 4.42Å; E752-E754 PolarHBondContact O-N 3.24Å
755E48Very low38.2Very low39 Ų3995.2 Ų95.218%0.18257%0.569CS.*  -106.5146.1-117.1-163.2152.185.600117.4R203 L204 K205 K757R203-E755 HydrophobicContact CB-CG 4.34Å; R203-E755 WeakPolarHBondContact CB-OE1 3.47Å; R203-E755 WeakPolarHBondContact CG-OE1 3.41Å; R203-E755 IonicContact CZ-OE1 2.78Å; R203-E755 IonicContact NE-OE1 2.71Å; R203-E755 PolarHBondContact NE-OE1 3.14Å; R203-E755 IonicContact NH2-OE1 3.19Å; R203-E755 PolarHBondContact NH2-OE1 3.09Å; R203-E755 IonicContact NH2-OE2 3.87Å; L204-E755 WeakPolarHBondContact CD1-O 3.49Å; L204-E755 WeakPolarHBondContact CG-O 3.5Å; K205-E755 HydrophobicContact CB-CB 3.57Å; K205-E755 HydrophobicContact CD-CB 3.78Å; K205-E755 WeakPolarHBondContact CE-OE2 3.45Å; K205-E755 HydrophobicContact CG-CB 3.47Å; K205-E755 VanDerWaalsContact CG-CB 3.47Å; K205-E755 HydrophobicContact CG-CG 4.33Å; K205-E755 IonicContact NZ-OE2 2.59Å; K205-E755 PolarHBondContact NZ-OE2 3.24Å; E755-K757 WeakPolarHBondContact CG-OXT 3.48Å
756N40.2Very low38.5Very low132 Ų13291.1 Ų91.171%0.70655%0.552SS**  trans-133.8112.3144.7-146.5-14.5000109.6
757K41.7Very low38.9Very low167 Ų16789.8 Ų89.873%0.72654%0.536SS*.  trans55.10-166.8-69.6-169.6-178.7-179.60116.8R203 E755R203-K757 VanDerWaalsContact CZ-CA 3.46Å; R203-K757 VanDerWaalsContact CZ-OXT 3.23Å; R203-K757 VanDerWaalsContact NH1-CA 3.29Å; R203-K757 PolarHBondContact NH1-O 3.21Å; R203-K757 PolarHBondContact NH2-O 3.37Å; R203-K757 PolarHBondContact NH2-OXT 2.9Å; E755-K757 WeakPolarHBondContact CG-OXT 3.48Å

Retrieved 757 of 757 residues in 133.3 ms (Link to these results)