A0A3Q0KJ23_SCHMA Loading...

Putative ftz-F1 interacting protein

AlphaFold DB , UniProt , Accession A0A3Q0KJ23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 943 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
1M36.1Very low41Very low234 Ų234166.6 Ų166.6100%1.15380%0.799SS**  0164.90-79.7-53.3179.700109.3
2P49Very low40.9Very low115 Ų115165.2 Ų165.275%0.74780%0.799SS**  trans-77.2145-144.630.2-35.8000114
3S39.9Very low40.7Very low98 Ų98166.8 Ų166.869%0.68580%0.8SS**  cis88.2128.813.5-160.50000117.2
4K43.9Very low40.6Very low166 Ų166166.8 Ų166.872%0.72281%0.807SS**  trans82.5135172.8-62.3160.6-170.8172.40115
5R40.5Very low40.6Very low214 Ų214164.7 Ų164.781%0.80880%0.8SS**  cis-154.2132.46.7-112.6155-174.8162.9-4113.1
6N42.6Very low40.3Very low125 Ų125163.9 Ų163.967%0.66880%0.801SS**  trans30.5127.1133.9-6475.1000122.9
7D40.7Very low40.2Very low137 Ų137160.3 Ų160.373%0.73379%0.793SS**  58.4150.5126.4-43.1-39.1000120.1
8I41.1Very low39.9Very low148 Ų148158.4 Ų158.476%0.75980%0.796SS**  cis-139.8148.726.5-66.9166.2000110.4
9R37.9Very low40Very low238 Ų238162.8 Ų162.890%0.89880%0.802SS**  trans-88.6137.2168.5-80.2-174.6-83.9-176.5-6.2111.8
10Y41.1Very low40.1Very low210 Ų210161.1 Ų161.182%0.82480%0.795SS**  trans-119.3110.2165-109.5-88.1000109.4
11N38.4Very low40.1Very low148 Ų148158.5 Ų158.579%0.79179%0.793SS**  trans-115.6158.1160.5-91.4-5.3000107.7
12D39.6Very low40.3Very low149 Ų149157 Ų15780%0.79777%0.774SS**  trans97.285.3178.9-62.3-12.4000116.9
13F39.1Very low40.2Very low187 Ų187160.5 Ų160.582%0.8278%0.778SS**  trans-142.689.3146.1-98.4-69.2000111.3L15F13-L15 HydrophobicContact CD1-CD1 3.89Å; F13-L15 HydrophobicContact CD1-CG 4.39Å; F13-L15 PolarHBondContact O-N 3.4Å
14N39.1Very low40.2Very low166 Ų166164.8 Ų164.889%0.88878%0.784SS**  trans-86.9103.7174.3-169.9-4000109.3
15L39.9Very low40.4Very low136 Ų136163 Ų16371%0.71279%0.787SS**  trans-129.8102.2-172.1-89.6169.7000114.2F13F13-L15 HydrophobicContact CD1-CD1 3.89Å; F13-L15 HydrophobicContact CD1-CG 4.39Å; F13-L15 PolarHBondContact O-N 3.4Å
16N36.3Very low40.8Very low152 Ų152158.5 Ų158.581%0.81379%0.786SS**  trans-151.3154.5158.6-102.1-55.9000107.5
17P37.7Very low40.8Very low102 Ų102160.2 Ų160.266%0.66280%0.795SS**  cis-133.9125.20.535.6-16.1000114.7R19P17-R19 PolarHBondContact O-N 2.86Å
18C35.6Very low40.7Very low126 Ų126159 Ų15985%0.85179%0.794SS**  trans-77.888.1176.1-83.90000113.8I20C18-I20 PolarHBondContact O-N 2.92Å
19R41.7Very low40.7Very low243 Ų243155.9 Ų155.992%0.91780%0.798SS**  trans-69.489.2165.3-82.2-177.7169.2166.2-2.5111.3P17 S21P17-R19 PolarHBondContact O-N 2.86Å; R19-S21 PolarHBondContact O-N 3.42Å; R19-S21 VanDerWaalsContact O-N 3.08Å
20I42.2Very low40.9Very low128 Ų128150.1 Ų150.166%0.65680%0.795SS**  trans-76.995176.4-61.6177.3000110.5C18 R22C18-I20 PolarHBondContact O-N 2.92Å; I20-R22 HydrophobicContact CG2-CG 3.82Å
21S39.4Very low40.9Very low106 Ų106148 Ų14874%0.74180%0.797SS**  trans-100.696.7169.2-169.10000110.3R19 K23R19-S21 PolarHBondContact O-N 3.42Å; R19-S21 VanDerWaalsContact O-N 3.08Å; S21-K23 PolarHBondContact O-N 2.84Å
22R39.9Very low40.9Very low202 Ų202150.4 Ų150.476%0.76280%0.8SS**  trans-85.697176.9-60.4-174.2-164.4176.75.5110.7I20I20-R22 HydrophobicContact CG2-CG 3.82Å
23K47.3Very low41.1Very low190 Ų190149.4 Ų149.483%0.82680%0.8SS**  trans-93.1115157.2-75.3-167.3175.2-174.30109.1S21S21-K23 PolarHBondContact O-N 2.84Å
24F39.8Very low41.2Very low188 Ų188146.3 Ų146.383%0.82580%0.796SS**  trans-78.8133.6168.2-84.4-92.4000109.9
25V49.3Very low41.3Very low128 Ų128147.5 Ų147.578%0.77679%0.793SS**  trans-127.4118168.7179.20000107.3
26P48Very low41.4Very low120 Ų120148.1 Ų148.178%0.77979%0.79SS**PPolyproline II helixtrans-71.7133.4174.3-17.732.2000111.1
27N42.9Very low41.7Very low160 Ų160147.5 Ų147.586%0.85679%0.787SS**PPolyproline II helixtrans-80.3127.9-178.9-168.127.6000111.6
28P39.3Very low41.9Very low112 Ų112151.2 Ų151.273%0.72779%0.788SS**PPolyproline II helixtrans-92.8147.6178.434.9-33.3000113.4
29G40.2Very low41.9Very low82 Ų82153.5 Ų153.585%0.84579%0.786SS**  trans108.392.5154.800000118
30S41.4Very low42Very low117 Ų117149.5 Ų149.582%0.81878%0.781SS**  trans-173.4134.9151.4-177.50000108.3
31L41.3Very low42Very low165 Ų165153.7 Ų153.786%0.86479%0.788SS**  cis-168.1163.5-28.6-113.4159.4000104.3
32K38.9Very low42.2Very low199 Ų199154 Ų15487%0.86579%0.788SS**  trans-108135.2-165.4-60.2175.1-175.9170.90113.8
33T43.4Very low42Very low128 Ų128151.5 Ų151.579%0.78579%0.788SS**  trans-144.4132.5148.649.40000106.4
34T41Very low41.7Very low123 Ų123148 Ų14876%0.75579%0.788SS**  cis61.813147.374.40000112.8
35K41.7Very low41.7Very low190 Ų190144.1 Ų144.183%0.82678%0.784SS**  cis-160.1169.528.3-149.8171.6-175.3175.80111.3
36K43.1Very low41.1Very low149 Ų149142.4 Ų142.465%0.64878%0.784SS**  trans-14.5142169.9-57.6174.3174.9178.50118.2
37D41.7Very low40.8Very low139 Ų139145.9 Ų145.974%0.74379%0.786SS**  -169.9-177.283-96.4-22.4000112
38R41.4Very low40.4Very low180 Ų180142.9 Ų142.968%0.67978%0.778SS**  -174.6125.2-58.2-121.9-174.3168.8-178.5-6.5108.4
39H36.6Very low40.5Very low174 Ų174146.1 Ų146.181%0.80678%0.78SS**  trans61.9167176.1-61.2-96.6000113.7
40I42.4Very low40.3Very low160 Ų160148.1 Ų148.182%0.82177%0.772SS**  cis-131.5157.819.2-65.8165.7000111.3
41R42.6Very low40.1Very low215 Ų215150.2 Ų150.281%0.81177%0.772SS**  trans-123.3136.3170.2-108.3-168.3-177-174.52.5110.9
42P44.2Very low39.9Very low114 Ų114145.1 Ų145.174%0.7476%0.759SS**  trans-117.4149141.935.3-26.7000110.1
43I35.6Very low39.7Very low148 Ų148140.5 Ų140.576%0.75975%0.752SS**  cis82.481.48.4-42-179.2000116.8
44S40.1Very low39.4Very low118 Ų118140.1 Ų140.183%0.82575%0.746SS**  trans-175.8153.5150.650.40000107.8
45S40.5Very low39.2Very low106 Ų106141.7 Ų141.774%0.74174%0.744SS**  cis-143.3139.5-4.842.70000109.1
46A36.1Very low38.7Very low92 Ų92139.4 Ų139.476%0.7674%0.74SS**  39.9130.8103.600000115.9
47K42.2Very low38.3Very low193 Ų193139.2 Ų139.284%0.83975%0.745SS**  cis-142.4148.134.5-66.5169.6-177.61730110.7
48S35.3Very low37.8Very low96 Ų96137.9 Ų137.967%0.67174%0.742SS**  56.8131.881.6119.50000113.8
49K41.3Very low37.3Very low180 Ų180135.4 Ų135.478%0.78375%0.747SS**  cis-162.4154.534.3-125.3172-175.7-176.50113.6
50N35.8Very low37Very low125 Ų125132.7 Ų132.767%0.66874%0.738SS**  trans38.9126.5135.8-72.332.8000121.5
51I37.4Very low36.8Very low160 Ų160133 Ų13382%0.82173%0.734SS**  92.713964.1-76.3168.6000112.6
52G37.3Very low36.4Very low58 Ų58129.1 Ų129.160%0.59873%0.734SS**  trans118.3115.6-163.600000107.8
53S34.9Very low36.2Very low103 Ų103129 Ų12972%0.7273%0.733SS**  cis59.9131.928.9103.70000111.5
54D37.2Very low36Very low120 Ų120127.7 Ų127.764%0.64273%0.731SS**  cis-153.1167.127.8-107.6-63.8000114.3
55Q35.1Very low35.6Very low155 Ų155127.9 Ų127.972%0.72473%0.728SS**  trans64.3132.5148.7-72166.36800119.2
56I32.2Very low35.2Very low143 Ų143131 Ų13173%0.73373%0.728SS**  cis103.6153.942.8-82174.8000111.7
57L35.1Very low35.1Very low145 Ų145132 Ų13276%0.75972%0.72SS**  trans68.4101.9-175.9-99.754000113.8
58T30.4Very low34.8Very low111 Ų111128 Ų12868%0.68171%0.708SS**  70.9141.250.7790000115.1
59T30.7Very low34.7Very low127 Ų127132.4 Ų132.478%0.77971%0.71SS**  trans66.8154.3161.420.40000115.3
60D31.1Very low34.3Very low117 Ų117130.4 Ų130.463%0.62671%0.708SS**  cis-161.6165.9-7.7-163.94.5000109.3
61K38.3Very low34.2Very low167 Ų167128.5 Ų128.573%0.72671%0.705SS**  trans63.5137.6163.7-27.1-170.1179.8-177.90116.9
62V33.8Very low34.2Very low134 Ų134126.5 Ų126.581%0.81269%0.692SS**  cis6813330.2-170.60000112.8
63P40.8Very low34.1Very low111 Ų111132.2 Ų132.272%0.72170%0.695SS**  cis-123.5-127.5-2438.9-20.8000110.8
64V31Very low34.1Very low120 Ų120134.8 Ų134.873%0.72769%0.693SS**  trans77.8108.6171.1-175.30000114.5
65V31.2Very low34.1Very low123 Ų123134.1 Ų134.175%0.74569%0.694SS**  90.2149.450.6168.10000113.1
66K33.1Very low34.1Very low172 Ų172131.1 Ų131.175%0.74869%0.69SS**  trans81.2111.7-173-75157.4-178.4175.10113.7
67D33.3Very low34.5Very low112 Ų112134 Ų13460%0.59969%0.691SS**  62.5117.770.3-59.9-53.8000109.6
68N35.1Very low34.5Very low110 Ų110134 Ų13459%0.58869%0.692SS**  -158.6149.172-94.7-80.8000109.8
69R33.4Very low34.9Very low187 Ų187133.4 Ų133.471%0.70669%0.693SS**  45.8131.487.3-50.1-174.5-150.9146.86.5112.1
70N33.6Very low35.3Very low138 Ų138133.6 Ų133.674%0.73869%0.694SS**  cis-167.3-168.213.3-125.69000109.5
71S34.1Very low35.4Very low86 Ų86132.3 Ų132.360%0.60170%0.699SS**  trans45.6132.2138.8-89.90000119.8
72E36Very low35.3Very low118 Ų118128.6 Ų128.655%0.55169%0.694SS**  cis170.8172.69.3-129.7179.6132.900108.1
73R35.1Very low35.6Very low178 Ų178128.7 Ų128.767%0.67269%0.69SS**  trans66.6157.7147.2-69.1165.4-170.6170.117.5115.9
74K36.8Very low35.5Very low156 Ų156131.6 Ų131.668%0.67870%0.699SS**  cis-155.3141.7-6.6-127165.3-173.6-178.20112.1
75T35.8Very low35.7Very low106 Ų106128.6 Ų128.665%0.6569%0.692SS**  trans43112.3138.555.90000119.9
76S35.4Very low36Very low92 Ų92128.6 Ų128.664%0.64370%0.698SS**  101.6176.886.579.90000113
77R40.5Very low36.3Very low203 Ų203124.6 Ų124.677%0.76669%0.691SS**  cis-160.9136.215-135.7158.4-162.2170.42.5110
78N36.2Very low36.6Very low145 Ų145126 Ų12678%0.77570%0.698SS**  trans58.2175.5151.9-51.51.7000116.7
79S37.6Very low36.8Very low99 Ų99129.2 Ų129.269%0.69271%0.706SS**  cis-151.4157.36.2-330000111.4
80V38.4Very low37.1Very low132 Ų132126 Ų12680%0.871%0.713SS**  trans53.7106.7141.8174.20000116.6
81A33.8Very low37.1Very low90 Ų90130 Ų13074%0.74472%0.718SS**  59.814577.800000113.4
82S37Very low37.4Very low89 Ų89132.2 Ų132.262%0.62273%0.727SS**  cis-162.8175.218.361.20000111.7
83N38.6Very low37.5Very low136 Ų136134 Ų13473%0.72774%0.737SS**  trans69.6141143.7-69.3-19.8000122.6
84L38.9Very low37.5Very low172 Ų172130.6 Ų130.690%0.90174%0.741SS**  trans42.5132141.4-68150000119.8
85G36.2Very low37.5Very low57 Ų57129.8 Ų129.859%0.58874%0.744SS**  cis146.21560.300000112
86S37.4Very low37.7Very low123 Ų123130.2 Ų130.286%0.8675%0.749SS**  trans66.6164.8176.790.70000115.5
87S38.4Very low37.7Very low87 Ų87134.9 Ų134.961%0.60876%0.757SS**  cis-170.7173.7-34.657.40000109.7
88L41Very low37.5Very low141 Ų141133.7 Ų133.774%0.73877%0.765SS**  trans67.2165.7162.1-57.8167.5000115.9
89K39.1Very low37.4Very low178 Ų178136.1 Ų136.177%0.77477%0.769SS**  cis-163.2175.8-47.3-115.8-176.1-159.3165.20107.6
90S38.9Very low37.4Very low120 Ų120136.8 Ų136.884%0.83977%0.771SS**  trans71.8152.416574.60000117.6
91R34.7Very low37.1Very low223 Ų223135.5 Ų135.584%0.84277%0.768SS**  cis134.692.4-16.7-179.8-148.7-160.7-148.77.4112.1
92V40.6Very low37Very low132 Ų132138.4 Ų138.480%0.877%0.771SS**  trans-148.6122.5155.4-152.80000103.6
93M36.1Very low36.9Very low154 Ų154140.5 Ų140.576%0.75978%0.78SS**  52.513372.6-55.1-17772.400111.4
94S37Very low36.6Very low108 Ų108138.6 Ų138.676%0.75578%0.777SS**  cis-150.5165.929.2-57.40000113.3
95D36.3Very low36.3Very low139 Ų139138.3 Ų138.374%0.74378%0.777SS**  trans-78.7144.3163.7-164.5-20.5000109.4K97D95-K97 PolarHBondContact OD1-N 2.73Å
96P40.1Very low36.1Very low115 Ų115141.1 Ų141.175%0.74779%0.788SS**  -147.1131.4109.735.9-19.3000116.4
97K34.2Very low35.8Very low190 Ų190146.7 Ų146.783%0.82679%0.79SS**  trans10.3112.7142.6-61.8178.2-178.1176.40117.5D95D95-K97 PolarHBondContact OD1-N 2.73Å
98L36Very low35.5Very low178 Ų178149.7 Ų149.793%0.93280%0.798SS**  trans-163.6138.1143.7-106.7158.2000111.2
99K35.7Very low35.1Very low195 Ų195148.9 Ų148.985%0.84880%0.799SS**  trans-75.2151.3167.6-78.7-177.4177.4-179.10108.7
100P36.9Very low35Very low113 Ų113148.8 Ų148.873%0.73481%0.806SS**  -157-171.760.542.9-21.1000118.7
101S31.7Very low34.7Very low106 Ų106148.4 Ų148.474%0.74180%0.804SS**  trans69130.2151.857.30000122.1
102D32.5Very low34.7Very low151 Ų151144.2 Ų144.281%0.80779%0.794SS**  trans-54.8141.3160.2-62.3-84.1000112.9
103T35.3Very low34.4Very low133 Ų133147.6 Ų147.682%0.81680%0.8SS**  -165.5150121.24.20000115.5
104S32Very low34.6Very low95 Ų95147.2 Ų147.266%0.66480%0.795SS**  trans56.8118.1151.856.70000122.2
105D32.9Very low34.9Very low166 Ų166153.8 Ų153.889%0.88880%0.803SS**  52.3100.9127.6-56.3-25.9000120.5
106S31.1Very low35.7Very low117 Ų117156.7 Ų156.782%0.81881%0.809SS**  trans-132.4128.9146.9-171.50000111.9
107R30.8Very low36.2Very low240 Ų240162.7 Ų162.791%0.90682%0.817SS**  trans-79.4117.8-177-56.1158.6171.8175.6-4.1110.1
108L33Very low37.3Very low150 Ų150157.4 Ų157.479%0.78580%0.804SS**  trans-135.1108.7163.3-78.3-179.8000113.7
109T33.3Very low38.4Very low123 Ų123150.1 Ų150.176%0.75577%0.771SS**  trans45.3133.3137.3540000121.9
110L35.3Very low39.8Very low177 Ų177144.3 Ų144.393%0.92776%0.76SS**  trans-58.8136.8173.8-68.366.7000113.3
111S33Very low41.2Very low112 Ų112145.5 Ų145.578%0.78376%0.756SS**  trans-153.816615063.70000110.9
112E35.5Very low42.7Very low135 Ų135143.6 Ų143.663%0.63174%0.737SS**  trans54.763.4167.8-73.3-97.2132.800117.3K114E112-K114 PolarHBondContact O-N 2.93Å; E112-K114 IonicContact OE1-NZ 3.35Å; E112-K114 PolarHBondContact OE1-NZ 3.21Å; E112-K114 WeakPolarHBondContact OE2-CD 3.25Å; E112-K114 WeakPolarHBondContact OE2-CE 2.93Å; E112-K114 IonicContact OE2-NZ 3.98Å; E112-K114 PolarHBondContact OE2-NZ 3.13Å
113Q33.1Very low44.4Very low202 Ų202142.4 Ų142.494%0.94472%0.723SS**  trans-72.151.3165.1-160.6-1782.900112.6R115Q113-R115 PolarHBondContact O-N 2.94Å; Q113-R115 VanDerWaalsContact O-N 3.14Å
114K41.9Very low45.9Very low147 Ų147139.5 Ų139.564%0.63970%0.701SS**  trans-66.6112.1172.7-91.3-176.8-177.61120109.4E112 K116E112-K114 PolarHBondContact O-N 2.93Å; E112-K114 IonicContact OE1-NZ 3.35Å; E112-K114 PolarHBondContact OE1-NZ 3.21Å; E112-K114 WeakPolarHBondContact OE2-CD 3.25Å; E112-K114 WeakPolarHBondContact OE2-CE 2.93Å; E112-K114 IonicContact OE2-NZ 3.98Å; E112-K114 PolarHBondContact OE2-NZ 3.13Å; K114-K116 VanDerWaalsContact C-N 3.3Å; K114-K116 PolarHBondContact O-N 3Å
115R42.7Very low47.7Very low246 Ų246138.3 Ų138.393%0.92869%0.687SS**  trans-63.582179.7-172.5179.4-173.91682.2111Q113 R117Q113-R115 PolarHBondContact O-N 2.94Å; Q113-R115 VanDerWaalsContact O-N 3.14Å; R115-R117 PolarHBondContact O-N 3.5Å; R115-R117 VanDerWaalsContact O-N 3.12Å
116K53.3Low49.5Very low200 Ų200138.1 Ų138.187%0.8768%0.679SS**PPolyproline II helixtrans-47.5121.1176.4-77.7-167.4175.5-173.60109.2K114 S118K114-K116 VanDerWaalsContact C-N 3.3Å; K114-K116 PolarHBondContact O-N 3Å; K116-S118 PolarHBondContact O-N 2.99Å
117R50.6Low51.3Low240 Ų240140.9 Ų140.991%0.90667%0.671SS**PPolyproline II helixtrans-58.1130.5163.9-72.8177.9173.4166.6-2106.4R115 G119R115-R117 PolarHBondContact O-N 3.5Å; R115-R117 VanDerWaalsContact O-N 3.12Å; R117-G119 PolarHBondContact O-N 2.86Å
118S57.3Low53Low79 Ų79134.8 Ų134.855%0.55265%0.651SS**PPolyproline II helixtrans-53.1123.4168.251.30000108K116K116-S118 PolarHBondContact O-N 2.99Å
119G58.2Low54.5Low25 Ų25135.5 Ų135.526%0.25866%0.655SS.*PPolyproline II helixtrans-56.4162.9-174.800000112.4R117 E121 N122 Y123R117-G119 PolarHBondContact O-N 2.86Å; G119-E121 PolarHBondContact O-N 3.08Å; G119-N122 PolarHBondContact O-N 3.27Å; G119-Y123 PolarHBondContact O-N 3.01Å; G119-Y123 VanDerWaalsContact O-N 3.12Å
120A65Low55.2Low74 Ų74137 Ų13761%0.61265%0.648SS**Hα-helixtrans-53.8-41.3178.300000111.1N122 Y123 I124A120-N122 VanDerWaalsContact C-N 3.33Å; A120-N122 PolarHBondContact O-N 3.49Å; A120-Y123 WeakPolarHBondContact O-CB 3.47Å; A120-Y123 PolarHBondContact O-N 2.94Å; A120-Y123 VanDerWaalsContact O-N 3.15Å; A120-I124 WeakPolarHBondContact O-CB 3.38Å; A120-I124 VanDerWaalsContact O-CG1 3.23Å; A120-I124 WeakPolarHBondContact O-CG1 3.28Å; A120-I124 PolarHBondContact O-N 3.12Å
121E66.9Low56.1Low138 Ų138135.9 Ų135.965%0.64564%0.643SS**Hα-helixtrans-41.1-51.3165.568.9-149168.100114.1G119 Y123 I124 N125G119-E121 PolarHBondContact O-N 3.08Å; E121-Y123 PolarHBondContact O-N 3.2Å; E121-I124 PolarHBondContact O-N 3.12Å; E121-N125 WeakPolarHBondContact O-CB 3.46Å; E121-N125 PolarHBondContact O-N 3.08Å; E121-N125 PolarHBondContact O-OD1 3.33Å; E121-N125 VanDerWaalsContact O-OD1 3.1Å
122N63.8Low57Low66 Ų66134.6 Ų134.635%0.35363%0.63SS.*Hα-helixtrans-81.6-20.4-172.5-160.1-78000111.3G119 A120 K126G119-N122 PolarHBondContact O-N 3.27Å; A120-N122 VanDerWaalsContact C-N 3.33Å; A120-N122 PolarHBondContact O-N 3.49Å; N122-K126 WeakPolarHBondContact O-CB 3.45Å; N122-K126 VanDerWaalsContact O-CD 3.32Å; N122-K126 WeakPolarHBondContact O-CD 3.45Å; N122-K126 VanDerWaalsContact O-CG 3.28Å; N122-K126 WeakPolarHBondContact O-CG 3.31Å; N122-K126 WeakPolarHBondContact OD1-CE 3.49Å; N122-K126 PolarHBondContact OD1-NZ 3.37Å
123Y67.2Low57.8Low126 Ų126134.2 Ų134.249%0.49464%0.637SS.*Hα-helixtrans-79.1-40.1168.2-179.3-100000111.7G119 A120 E121 K126 R127G119-Y123 PolarHBondContact O-N 3.01Å; G119-Y123 VanDerWaalsContact O-N 3.12Å; A120-Y123 WeakPolarHBondContact O-CB 3.47Å; A120-Y123 PolarHBondContact O-N 2.94Å; A120-Y123 VanDerWaalsContact O-N 3.15Å; E121-Y123 PolarHBondContact O-N 3.2Å; Y123-K126 PolarHBondContact O-N 3.13Å; Y123-R127 PolarHBondContact O-N 2.94Å; Y123-R127 PolarHBondContact OH-NE 3.47Å; Y123-R127 PolarHBondContact OH-NH1 3.06Å
124I67.7Low58.9Low72 Ų72130.8 Ų130.837%0.36962%0.621SS.*Hα-helixtrans-65.1-54.5176.8-71.8164.5000109.6A120 E121 K126 R127 F128A120-I124 WeakPolarHBondContact O-CB 3.38Å; A120-I124 VanDerWaalsContact O-CG1 3.23Å; A120-I124 WeakPolarHBondContact O-CG1 3.28Å; A120-I124 PolarHBondContact O-N 3.12Å; E121-I124 PolarHBondContact O-N 3.12Å; I124-K126 PolarHBondContact O-N 3.16Å; I124-R127 PolarHBondContact O-N 3.02Å; I124-F128 HydrophobicContact CG2-CD2 4.03Å; I124-F128 PolarHBondContact O-N 3.07Å
125N69.3Low59.3Low70 Ų70128.5 Ų128.537%0.37462%0.621SS.*THydrogen-bonded Turntrans-63.1-12.3179.6-60.55.1000113.8E121E121-N125 WeakPolarHBondContact O-CB 3.46Å; E121-N125 PolarHBondContact O-N 3.08Å; E121-N125 PolarHBondContact O-OD1 3.33Å; E121-N125 VanDerWaalsContact O-OD1 3.1Å
126K70.9Confident59.7Low162 Ų162122.5 Ų122.570%0.70461%0.614SS**THydrogen-bonded Turntrans-101.6-8174-76.4178.3179.41550114.3N122 Y123 I124N122-K126 WeakPolarHBondContact O-CB 3.45Å; N122-K126 VanDerWaalsContact O-CD 3.32Å; N122-K126 WeakPolarHBondContact O-CD 3.45Å; N122-K126 VanDerWaalsContact O-CG 3.28Å; N122-K126 WeakPolarHBondContact O-CG 3.31Å; N122-K126 WeakPolarHBondContact OD1-CE 3.49Å; N122-K126 PolarHBondContact OD1-NZ 3.37Å; Y123-K126 PolarHBondContact O-N 3.13Å; I124-K126 PolarHBondContact O-N 3.16Å
127R68.9Low59.7Low174 Ų174121 Ų12166%0.65761%0.607SS**THydrogen-bonded Turntrans-111.5-35.7177-89.2-165.8154.4-154.5-6.8113.2Y123 I124Y123-R127 PolarHBondContact O-N 2.94Å; Y123-R127 PolarHBondContact OH-NE 3.47Å; Y123-R127 PolarHBondContact OH-NH1 3.06Å; I124-R127 PolarHBondContact O-N 3.02Å
128F65.9Low59.1Low112 Ų112121.3 Ų121.349%0.49161%0.608SS.*SBendtrans-108.5115.8174-54.6-82.9000105.9I124 Y130I124-F128 HydrophobicContact CG2-CD2 4.03Å; I124-F128 PolarHBondContact O-N 3.07Å; F128-Y130 HydrophobicContact CB-CD2 3.68Å; F128-Y130 HydrophobicContact CB-CE2 3.4Å; F128-Y130 VanDerWaalsContact CB-CE2 3.4Å; F128-Y130 HydrophobicContact CG-CE2 4.23Å; F128-Y130 PolarHBondContact O-N 3.08Å
129L64.5Low58.3Low166 Ų166125 Ų12587%0.86962%0.622SS**  trans-77.867.9-174.9-169.174.4000109.7
130Y49.4Very low57.5Low155 Ų155134.1 Ų134.161%0.60865%0.649SS**  trans-84.1129.9167.6-64.3-64.2000108.4F128 V132F128-Y130 HydrophobicContact CB-CD2 3.68Å; F128-Y130 HydrophobicContact CB-CE2 3.4Å; F128-Y130 VanDerWaalsContact CB-CE2 3.4Å; F128-Y130 HydrophobicContact CG-CE2 4.23Å; F128-Y130 PolarHBondContact O-N 3.08Å; Y130-V132 PolarHBondContact O-N 3.4Å
131D53.1Low56.1Low153 Ų153138.8 Ų138.882%0.81866%0.658SS**  trans-71.768.6172.5-71.4-49.3000110.5V133D131-V133 VanDerWaalsContact C-N 3.3Å; D131-V133 PolarHBondContact O-N 3.06Å
132V52.2Low55.1Low85 Ų85142 Ų14252%0.51567%0.67SS.*  trans-70.792.8170.5-178.20000107.2Y130 E134Y130-V132 PolarHBondContact O-N 3.4Å; V132-E134 VanDerWaalsContact C-N 3.26Å; V132-E134 PolarHBondContact O-N 3.41Å
133V52Low54Low127 Ų127148.6 Ų148.677%0.7770%0.695SS**  trans-6189.4170.8-178.30000108D131 P135D131-V133 VanDerWaalsContact C-N 3.3Å; D131-V133 PolarHBondContact O-N 3.06Å; V133-P135 VanDerWaalsContact O-CD 3.3Å; V133-P135 WeakPolarHBondContact O-CD 3.29Å; V133-P135 VanDerWaalsContact O-N 3.11Å
134E56.2Low52.4Low130 Ų130151.7 Ų151.761%0.60771%0.712SS**  trans-62.1114.3179.8-169.8180-178.900108.3V132 K137V132-E134 VanDerWaalsContact C-N 3.26Å; V132-E134 PolarHBondContact O-N 3.41Å; E134-K137 IonicContact OE1-NZ 2.81Å; E134-K137 PolarHBondContact OE1-NZ 3.14Å
135P50.9Low51.3Low99 Ų99155 Ų15564%0.64373%0.729SS**  trans-62.6131.9-171.123-32.9000109.7V133 K137V133-P135 VanDerWaalsContact O-CD 3.3Å; V133-P135 WeakPolarHBondContact O-CD 3.29Å; V133-P135 VanDerWaalsContact O-N 3.11Å; P135-K137 PolarHBondContact O-N 3.24Å
136P50.7Low49.8Very low119 Ų119159 Ų15977%0.77375%0.745SS**  trans-57.2108.7-174.2-27.835.4000112R138P136-R138 PolarHBondContact O-N 3.05Å
137K52.3Low48.4Very low168 Ų168159.9 Ų159.973%0.7375%0.749SS**  trans-57.8108.1177.3-75.1164.6177.2152.30108.6E134 P135 N139E134-K137 IonicContact OE1-NZ 2.81Å; E134-K137 PolarHBondContact OE1-NZ 3.14Å; P135-K137 PolarHBondContact O-N 3.24Å; K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.06Å
138R39Very low46.9Very low247 Ų247156.5 Ų156.593%0.93275%0.748SS**  trans-59.889.9-172.8-72.9176.669.9149-2.1111P136 R140P136-R138 PolarHBondContact O-N 3.05Å; R138-R140 PolarHBondContact O-N 3.27Å
139N41.2Very low45.6Very low158 Ų158158 Ų15885%0.84576%0.762SS**  trans-66.8128.8171.6-165.35.1000108.8K137 Q141K137-N139 VanDerWaalsContact C-N 3.35Å; K137-N139 PolarHBondContact O-N 3.06Å; N139-Q141 PolarHBondContact O-N 3.27Å
140R40.3Very low44.5Very low216 Ų216160.8 Ų160.882%0.81576%0.76SS**  trans-69.1128.2-175.5-84.1179.6165.3178.3-6.1110.1R138R138-R140 PolarHBondContact O-N 3.27Å
141Q36.3Very low44Very low172 Ų172157.8 Ų157.880%0.80476%0.762SS**  trans55.6101.8156.1-58.6173.8-8.900118N139N139-Q141 PolarHBondContact O-N 3.27Å
142K45.4Very low43.7Very low206 Ų206155.9 Ų155.990%0.89676%0.756SS**  -162.7114.1126.7-107148-170.4172.30112.6
143K41.3Very low43.4Very low204 Ų204155.4 Ų155.489%0.88776%0.761SS**  trans27.6119163.4-58.4-165.8176.3-1700118.6
144F32.7Very low43.1Very low191 Ų191152 Ų15284%0.83875%0.746SS**  trans-52.7139.7167.4-71.2-103.1000112.2
145L44.9Very low42.6Very low140 Ų140151.9 Ų151.973%0.73375%0.749SS**  trans-141.7114.5155.6-168.462.7000107.3F147L145-F147 HydrophobicContact CD2-CE2 3.75Å; L145-F147 HydrophobicContact CD2-CZ 4.15Å; L145-F147 HydrophobicContact CG-CE2 4.07Å; L145-F147 PolarHBondContact O-N 2.97Å
146H36.9Very low42.4Very low155 Ų155154.1 Ų154.172%0.71875%0.753SS**  trans-73.4123.1-176.7-76-115.1000110.1
147F41.8Very low42.3Very low180 Ų180151.4 Ų151.479%0.78974%0.741SS**  trans-119.782.8167.1-82-67.3000110.1L145L145-F147 HydrophobicContact CD2-CE2 3.75Å; L145-F147 HydrophobicContact CD2-CZ 4.15Å; L145-F147 HydrophobicContact CG-CE2 4.07Å; L145-F147 PolarHBondContact O-N 2.97Å
148T37.6Very low41.9Very low103 Ų103148.2 Ų148.263%0.63274%0.735SS**  trans-65151.6163.1-2.90000110.8
149D38.2Very low42Very low144 Ų144141.2 Ų141.277%0.7772%0.724SS**  trans58.353.4150.8-47.2-32.8000119.1
150R41.9Very low41.8Very low224 Ų224138 Ų13885%0.84571%0.714SS**  trans-129.973.3162.7-69.1-163.4174.3-175.8-0.8115.6
151S40Very low41.8Very low93 Ų93131.3 Ų131.365%0.6571%0.705SS**  trans52.5117.4135.8-52.50000119.8A153 A154S151-A153 PolarHBondContact O-N 2.59Å; S151-A154 WeakPolarHBondContact O-CB 3.36Å; S151-A154 PolarHBondContact O-N 3.46Å
152T45.8Very low42Very low113 Ų113130.5 Ų130.569%0.69371%0.706SS**THydrogen-bonded Turntrans-47.3-26.7176.8-33.10000115.6A154 L155 M156T152-A154 VanDerWaalsContact C-N 3.27Å; T152-A154 PolarHBondContact O-N 3.49Å; T152-L155 PolarHBondContact O-N 3.44Å; T152-M156 PolarHBondContact O-N 2.85Å
153A45.1Very low41.6Very low74 Ų74128.2 Ų128.261%0.61270%0.702SS**Hα-helixtrans-59.9-32.517500000113.5S151 L155 M156 A157S151-A153 PolarHBondContact O-N 2.59Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L155 PolarHBondContact O-N 3.22Å; A153-M156 PolarHBondContact O-N 2.78Å; A153-A157 PolarHBondContact O-N 3.14Å
154A46.9Very low41.8Very low56 Ų56126 Ų12646%0.46370%0.7SS.*Hα-helixtrans-66.6-35177.800000112.2S151 T152 A157 V158S151-A154 WeakPolarHBondContact O-CB 3.36Å; S151-A154 PolarHBondContact O-N 3.46Å; T152-A154 VanDerWaalsContact C-N 3.27Å; T152-A154 PolarHBondContact O-N 3.49Å; A154-A157 PolarHBondContact O-N 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.34Å; A154-V158 PolarHBondContact O-N 2.69Å
155L45.7Very low42.3Very low127 Ų127127 Ų12767%0.66570%0.704SS**Hα-helixtrans-68.8-38.7177.5-61.1174.5000111.5T152 A153 A157 V158T152-L155 PolarHBondContact O-N 3.44Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L155 PolarHBondContact O-N 3.22Å; L155-A157 VanDerWaalsContact C-N 3.29Å; L155-A157 PolarHBondContact O-N 3.47Å; L155-V158 PolarHBondContact O-N 3.26Å
156M47.1Very low42Very low146 Ų146129.5 Ų129.572%0.71971%0.709SS**Hα-helixtrans-62.2-35.6175.7-63.3-73.1-86.900112.2T152 A153T152-M156 PolarHBondContact O-N 2.85Å; A153-M156 PolarHBondContact O-N 2.78Å
157A47.2Very low42.1Very low63 Ų63129.8 Ų129.852%0.52171%0.71SS.*Hα-helixtrans-74.9-22179.500000114.3A153 A154 L155 S160A153-A157 PolarHBondContact O-N 3.14Å; A154-A157 PolarHBondContact O-N 3.3Å; L155-A157 VanDerWaalsContact C-N 3.29Å; L155-A157 PolarHBondContact O-N 3.47Å; A157-S160 PolarHBondContact O-OG 3.03Å
158V45.2Very low42.1Very low101 Ų101131.5 Ų131.561%0.61272%0.717SS**Hα-helixtrans-82.2-26.6178.6173.90000111.9A154 L155 S160 A161A154-V158 WeakPolarHBondContact O-CG2 3.34Å; A154-V158 PolarHBondContact O-N 2.69Å; L155-V158 PolarHBondContact O-N 3.26Å; V158-S160 PolarHBondContact O-N 3.34Å; V158-A161 PolarHBondContact O-N 3.39Å
159S40.5Very low41.9Very low100 Ų100130.9 Ų130.970%0.69972%0.717SS**THydrogen-bonded Turntrans-63.4-20179.4-66.20000114.9
160S37.5Very low42.1Very low90 Ų90134.1 Ų134.163%0.62972%0.724SS**THydrogen-bonded Turntrans-92.8-11.2177.753.80000114.3A157 V158 N162A157-S160 PolarHBondContact O-OG 3.03Å; V158-S160 PolarHBondContact O-N 3.34Å; S160-N162 PolarHBondContact O-N 3.19Å
161A40.8Very low41.7Very low75 Ų75131.8 Ų131.862%0.6272%0.722SS**THydrogen-bonded Turntrans-87.1-3.2-164.900000116.1V158V158-A161 PolarHBondContact O-N 3.39Å
162N39.7Very low41.4Very low155 Ų155131 Ų13183%0.82972%0.717SS**THydrogen-bonded Turntrans-104.90.1-172.7-107.6-33000115.6S160 L164S160-N162 PolarHBondContact O-N 3.19Å; N162-L164 VanDerWaalsContact C-N 3.34Å; N162-L164 PolarHBondContact O-N 3.33Å
163L37.9Very low41Very low158 Ų158131.5 Ų131.583%0.82772%0.72SS**SBendtrans-88.552.4174.5-74.499.2000113.2
164L43.6Very low40.5Very low158 Ų158130.1 Ų130.183%0.82771%0.705SS**  trans-159.175.7173.6-111.4169.6000113.4N162N162-L164 VanDerWaalsContact C-N 3.34Å; N162-L164 PolarHBondContact O-N 3.33Å
165K44.5Very low39.9Very low213 Ų213132 Ų13293%0.92672%0.715SS**  trans-161.375.5167.2-111.2150.3-169.9169.90113.8
166K38.9Very low39.5Very low192 Ų192135.2 Ų135.284%0.83573%0.726SS**  trans-136.5159.7162.6-82-167.2174.4-177.80110.3
167H39.1Very low39Very low160 Ų160135.7 Ų135.774%0.74173%0.73SS**  trans60.394.7173.8-68.8-82.9000118.1
168K41.3Very low38.7Very low217 Ų217137.8 Ų137.894%0.94374%0.739SS**  -128.5120.1129.5-74.9-65.4-176178.90108.4
169S33.5Very low38.1Very low89 Ų89143.4 Ų143.462%0.62275%0.749SS**  trans-128.1148170.647.50000108
170K41.7Very low38.1Very low213 Ų213144.7 Ų144.793%0.92675%0.748SS**  trans-139.8156.5162.9-84.5-149.5166.3-159.20109.6
171H33.7Very low38.3Very low175 Ų175150.7 Ų150.781%0.8176%0.757SS**  trans-114.5146-175.2-87.9-118.5000110.8
172S34.4Very low38.1Very low77 Ų77153 Ų15354%0.53876%0.759SS.*  trans175.7137.9149.7-170.50000107.4E415S172-E415 WeakPolarHBondContact CB-OE1 3.48Å; S172-E415 PolarHBondContact OG-OE1 3.46Å
173V36.1Very low37.8Very low123 Ų123151.9 Ų151.975%0.74575%0.752SS**  cis90.268.4-16.9-156.10000119E415V173-E415 PolarHBondContact N-OE1 3.37Å
174S34.9Very low37.9Very low45 Ų45153.1 Ų153.132%0.31575%0.751SS.*  trans-153.9-170.9136.7-167.40000111.3E416S174-E416 VanDerWaalsContact CB-CA 3.43Å; S174-E416 VanDerWaalsContact CB-O 3.22Å; S174-E416 WeakPolarHBondContact CB-O 3.42Å; S174-E416 PolarHBondContact OG-O 3.3Å
175S34Very low37.8Very low94 Ų94151 Ų15166%0.65775%0.747SS**  -151.1155.7-111.162.80000115.1
176Q38.4Very low37.6Very low195 Ų195152.3 Ų152.391%0.91175%0.746SS**  trans-166.3152.8149.1-113170.812.600111.8
177I35.8Very low38Very low156 Ų156148.7 Ų148.780%0.874%0.74SS**  trans-139.9142.4-177.7-49.4170.2000106.7
178P40.3Very low38.4Very low108 Ų108150.8 Ų150.870%0.70175%0.747SS**  -147.9136127.832.7-15.6000115
179R33.9Very low38.4Very low218 Ų218143.6 Ų143.682%0.82372%0.724SS**  trans66.1134.7150.9-48.6-82170.187.46.3115.9
180D40.4Very low38.8Very low128 Ų128149.8 Ų149.868%0.68473%0.734SS**  cis-144161.30.1-91.1-42.1000111.7
181R40.7Very low38.5Very low215 Ų215149.6 Ų149.681%0.81174%0.735SS**  trans27136148.5-58.6-170.5-176.9178.5-0.8120.6
182D36.8Very low38.9Very low123 Ų123145.2 Ų145.266%0.65874%0.738SS**  cis-161.5161.6-2.6-111.9-32.2000113.1
183L34.8Very low39.1Very low132 Ų132151.4 Ų151.469%0.69175%0.75SS**  trans45.8127.6162.5-82.473.8000121.2
184F39.7Very low39.2Very low184 Ų184156.5 Ų156.581%0.80776%0.755SS**  trans83.4113.5168.5-59.9-69.7000118.7R186F184-R186 PolarHBondContact O-N 3.2Å
185P41.9Very low39.7Very low114 Ų114160.5 Ų160.574%0.7477%0.772SS**  trans-74.1126-17629.8-34.5000112.1V187P185-V187 PolarHBondContact O-N 3.02Å
186R40.4Very low40.4Very low241 Ų241165.3 Ų165.391%0.90978%0.782SS**  trans-65.389172.7-74.7-176172.1-174.3-1.4111.3F184 K188F184-R186 PolarHBondContact O-N 3.2Å; R186-K188 PolarHBondContact O-N 3.39Å
187V46.2Very low40.9Very low116 Ų116160.9 Ų160.970%0.70377%0.77SS**  trans-53.3109.1174.7178.80000109.7P185 S189P185-V187 PolarHBondContact O-N 3.02Å; V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 3.39Å
188K46.7Very low41.2Very low203 Ų203162.7 Ų162.788%0.88377%0.772SS**  trans-69.185.9-179.3-72.3-177.9178.9174.10110.5R186 R190R186-K188 PolarHBondContact O-N 3.39Å; K188-R190 PolarHBondContact O-N 3.38Å; K188-R190 VanDerWaalsContact O-N 3.08Å
189S41.3Very low41.4Very low66 Ų66165.9 Ų165.946%0.46278%0.777SS.*  trans-45.6111176.11740000111.3V187 H191 R193V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 3.39Å; S189-H191 PolarHBondContact O-N 3.28Å; S189-R193 PolarHBondContact OG-O 3.47Å
190R42.6Very low41.7Very low220 Ų220163.1 Ų163.183%0.8377%0.774SS**  trans-54.8133.5177.2-77-171.9176.1-168.90.4110.4K188 G192 R193K188-R190 PolarHBondContact O-N 3.38Å; K188-R190 VanDerWaalsContact O-N 3.08Å; R190-G192 PolarHBondContact O-N 2.9Å; R190-R193 PolarHBondContact O-N 3.23Å
191H36.2Very low41.6Very low208 Ų208167.1 Ų167.196%0.96378%0.78SS**THydrogen-bonded Turntrans-49.1122.9179.5-149.182.6000110.2S189S189-H191 PolarHBondContact O-N 3.28Å
192G42Very low41.4Very low84 Ų84161.6 Ų161.687%0.86678%0.775SS**THydrogen-bonded Turntrans95-5.3-177.200000117.1R190R190-G192 PolarHBondContact O-N 2.9Å
193R37.2Very low41.4Very low207 Ų207160.4 Ų160.478%0.78177%0.774SS**  trans-125.283.9171.3-84.9-174.9160.8-165.8-4.6111.6S189 R190 L195S189-R193 PolarHBondContact OG-O 3.47Å; R190-R193 PolarHBondContact O-N 3.23Å; R193-L195 PolarHBondContact O-N 3.34Å
194R39Very low41.6Very low229 Ų229156.8 Ų156.886%0.86476%0.759SS**PPolyproline II helixtrans-60.7122162.6-78.8-175.173.2169.82.7108.1K196R194-K196 PolarHBondContact O-N 3.41Å
195L45Very low41.5Very low129 Ų129157.2 Ų157.268%0.67576%0.764SS**PPolyproline II helixtrans-53.7132.2163.7-66.6166.4000107.9R193 P197R193-L195 PolarHBondContact O-N 3.34Å; L195-P197 WeakPolarHBondContact O-CD 3.39Å
196K50Low41.4Very low196 Ų196157.3 Ų157.385%0.85277%0.767SS**PPolyproline II helixtrans-63122169.3-83.4-84.7-170.5165.60107R194 K198R194-K196 PolarHBondContact O-N 3.41Å; K196-K198 PolarHBondContact O-N 3.22Å
197P48.1Very low41.5Very low102 Ų102149.2 Ų149.266%0.66275%0.752SS**PPolyproline II helixtrans-55.7131.8162.9-19.532.6000107.6L195 H199L195-P197 WeakPolarHBondContact O-CD 3.39Å; P197-H199 PolarHBondContact O-N 3.25Å; P197-H199 VanDerWaalsContact O-N 3.12Å
198K42.6Very low41.4Very low194 Ų194148.3 Ų148.384%0.84374%0.743SS**  trans-69.3106.5162.6-75.1-169175.5-1730105.7K196K196-K198 PolarHBondContact O-N 3.22Å
199H43.6Very low41.2Very low175 Ų175146.2 Ų146.281%0.8174%0.737SS**  trans-86.9110165.3-151.2-54.7000106.3P197P197-H199 PolarHBondContact O-N 3.25Å; P197-H199 VanDerWaalsContact O-N 3.12Å
200E41.6Very low41.3Very low160 Ų160150.6 Ų150.675%0.74875%0.75SS**  trans-67.5148.4169.8-77.6149.9-167.600109.2
201Y36.5Very low41.2Very low211 Ų211146.1 Ų146.183%0.82775%0.749SS**  trans-97.8143.1-175.5-104.6-107.5000109.7
202S37.5Very low41.3Very low100 Ų100141.2 Ų141.270%0.69974%0.738SS**  trans-169.7109.4139.4-84.70000111.2
203P36.4Very low41.1Very low97 Ų97146 Ų14663%0.6374%0.736SS**  trans-101.2142.8165.435.4-29.1000111.8
204S38.8Very low41.3Very low56 Ų56141.6 Ų141.639%0.39273%0.727SS.*  trans-156.6120.5166-60.70000105.9N692S204-N692 PolarHBondContact OG-N 3.4Å
205Q38.1Very low41.4Very low193 Ų193138.6 Ų138.690%0.90272%0.723SS**  cis69.69448.2-75.5-158.4-46.800115.7
206S39.8Very low41.1Very low116 Ų116137 Ų13781%0.81172%0.72SS**  trans177149.515452.30000107.9
207A43.4Very low40.5Very low71 Ų71135 Ų13559%0.58772%0.718SS**  cis-167.6-176.2-19.800000107.4
208D42.2Very low40.1Very low98 Ų98135 Ų13552%0.52472%0.721SS.*  trans68.1124.8175.6-22.1-39.2000114.1R698D208-R698 IonicContact OD2-CZ 3.53Å; D208-R698 IonicContact OD2-NH1 3.07Å; D208-R698 PolarHBondContact OD2-NH1 2.82Å; D208-R698 IonicContact OD2-NH2 3.39Å; D208-R698 PolarHBondContact OD2-NH2 2.87Å; D208-R698 VanDerWaalsContact OD2-NH2 3.07Å
209E44.5Very low39.9Very low159 Ų159131.6 Ų131.674%0.74372%0.716SS**  cis67.4141.431.3-40.9-167.316200112.9
210H42.9Very low39.7Very low158 Ų158130.8 Ų130.873%0.73172%0.718SS**  cis-137.9158.715.1-61.7-90.7000113.5
211P39.5Very low39.7Very low125 Ų125127.6 Ų127.681%0.81271%0.714SS**  trans-86.7154.4152.436.4-31.9000111.9
212S38Very low40Very low106 Ų106122.2 Ų122.274%0.74171%0.707SS**  trans-146.8128.1170.6-122.30000108.6
213F38.7Very low40.1Very low185 Ų185129.6 Ų129.681%0.81172%0.719SS**  64.1139.397.7-83.7-119000113.7
214D41.5Very low40.1Very low114 Ų114134.1 Ų134.161%0.6173%0.729SS**  cis-153.9177.812.4-146.39.9000107.4
215Q40.8Very low40.2Very low165 Ų165136.9 Ų136.977%0.77175%0.746SS**  cis-140174.614.9-100.2-1650.900113.4
216P39.6Very low40.3Very low95 Ų95134.4 Ų134.462%0.61774%0.737SS**  trans-118.4-173.5-169.342.4-31.2000114.6
217L36.6Very low40.3Very low155 Ų155139.4 Ų139.481%0.81274%0.738SS**  176.3166.7125.3-94.6158.4000114.6
218S38.7Very low40.5Very low102 Ų102146.2 Ų146.271%0.71376%0.755SS**  trans64.997.8167.8-53.90000118
219T39.4Very low40.1Very low122 Ų122148.9 Ų148.975%0.74877%0.769SS**  cis95.694.146.163.70000115.4
220D39.7Very low40Very low158 Ų158151.4 Ų151.485%0.84578%0.777SS**  trans174157.7133.6-102.9-0.9000110.2
221S42.3Very low39.8Very low94 Ų94147.8 Ų147.866%0.65778%0.775SS**  cis-159.1-172.7-32.463.50000109.3
222S42.5Very low39.7Very low98 Ų98147.5 Ų147.569%0.68578%0.776SS**  trans84.690.3172.1780000120.4
223W39.3Very low39.8Very low254 Ų254147.4 Ų147.496%0.96278%0.775SS**  trans63.9127.7133.5-57.3105.8000123.2
224K35.8Very low39.7Very low192 Ų192147.6 Ų147.684%0.83578%0.779SS**  trans-110.9175.3179-59.2176.5179.8176.90111.1
225P40.7Very low39.4Very low114 Ų114146.9 Ų146.974%0.7479%0.788SS**  -131.2134.9119.65.216.4000116.8
226I39.6Very low39.2Very low141 Ų141144.5 Ų144.572%0.72379%0.786SS**  trans64.892.6133.3-56.8170.9000117.2
227R40.8Very low39.4Very low221 Ų221149.4 Ų149.483%0.83480%0.797SS**  72.211679.6-71.6176.6-177.1178.42116.1
228K47Very low39.4Very low215 Ų215147.1 Ų147.194%0.93579%0.794SS**  -150.3134.6121.9-75.7-158.4179.2177.30109.2
229N34.2Very low39.2Very low154 Ų154152.2 Ų152.282%0.82480%0.798SS**  trans-122.5144.9-177-659.4000111.3
230K42Very low39.3Very low211 Ų211153 Ų15392%0.91780%0.797SS**  trans-168.7143.2152.5-132.4176.2-179.5-175.20109
231A38.3Very low39.3Very low82 Ų82152.6 Ų152.668%0.67879%0.789SS**  cis170.5161.5-44.400000106.9
232S39Very low39Very low119 Ų119155.9 Ų155.983%0.83279%0.794SS**  trans71.2159.2176.575.50000117.9
233S39.1Very low38.9Very low105 Ų105160.2 Ų160.273%0.73480%0.801SS**  180136.7-65.146.90000113
234Q37.2Very low38.8Very low189 Ų189153.4 Ų153.488%0.88379%0.792SS**  trans37.1120.1151.8-68.2-176.3-18.500122.4
235A35.6Very low39.2Very low98 Ų98151.2 Ų151.281%0.8179%0.789SS**  trans-161121.1137.600000107.1
236T36.4Very low39.2Very low116 Ų116150.4 Ų150.471%0.71278%0.783SS**  cis86.498.434.6-48.70000114.2
237K43.2Very low39.2Very low197 Ų197149.4 Ų149.486%0.85778%0.783SS**  trans156.2130.5153.1-86.7152.8-172.4178.70108.5
238S36.2Very low39.2Very low107 Ų107145 Ų14575%0.74878%0.776SS**  cis112.7138.414.568.60000112.7
239R35.7Very low38.6Very low209 Ų209144.2 Ų144.279%0.78977%0.769SS**  trans119.6109.8166.7-161.3171.5-172.7174.40.6112
240L40Very low39Very low139 Ų139143.1 Ų143.173%0.72876%0.762SS**  67.3135.185.5-12778.3000111.1
241E39.6Very low39Very low149 Ų149141.2 Ų141.270%0.69675%0.754SS**  cis-140.2145.424.2-82.2164.3-144.600109.8
242H36.5Very low39.2Very low164 Ų164144 Ų14476%0.75975%0.752SS**  85.698.256.7-158.2-27.3000114.6
243K40.9Very low39.5Very low188 Ų188144.6 Ų144.682%0.81775%0.746SS**  172.5149.3128.2-96.7-175.8-179.8-166.40112.6
244S36.9Very low39.7Very low111 Ų111145.9 Ų145.978%0.77675%0.745SS**  trans-135.2144.5177.4-43.40000108.4
245D44.1Very low39.9Very low147 Ų147146.3 Ų146.379%0.78674%0.74SS**  trans-144.6153.1163.2-88.6-55.7000109.8
246T41.3Very low40.3Very low97 Ų97150.7 Ų150.760%0.59574%0.74SS**  cis-179.5133.4-29.7-92.80000105.3
247T39.6Very low40.6Very low119 Ų119153.2 Ų153.273%0.7374%0.742SS**  trans63.9157.1170.755.70000118.3
248N40Very low40.9Very low128 Ų128151.8 Ų151.868%0.68474%0.744SS**  cis-148.9170.16-119.1-16.1000113.3
249Y35.2Very low41.1Very low200 Ų200156.1 Ų156.178%0.78475%0.745SS**  trans-53.1175.6177.8-48.2-92.9000116.4
250L41.8Very low41.3Very low131 Ų131156.6 Ų156.669%0.68675%0.748SS**  cis-168.6157.830.5-166.467.9000114.3
251K42Very low41.3Very low171 Ų171154.6 Ų154.674%0.74375%0.746SS**  trans96.2125.4163.4-62-141.6168.8-157.80118.1
252H43.2Very low41.2Very low139 Ų139152 Ų15264%0.64474%0.744SS**  cis76.3132.148-72.1-71.5000112.2
253D44.6Very low41.5Very low133 Ų133150.5 Ų150.571%0.71174%0.742SS**  cis-154-178.4-9.1-76.8-42.9000106.8
254D44Very low41.7Very low132 Ų132149.3 Ų149.371%0.70674%0.739SS**  cis-149.4-142.86.8-164.158.3000111.3
255Y41.8Very low42.2Very low198 Ų198150 Ų15078%0.77673%0.734SS**  trans-105.7-167.2175.9-70.4-101.7000109.9
256K42.4Very low42.3Very low189 Ų189151.4 Ų151.482%0.82274%0.736SS**  cis-157.9169.811.5-148.8163.5-166.61780112.1
257K43Very low42.2Very low170 Ų170150.4 Ų150.474%0.73975%0.745SS**  trans-72.1159.7164.5-56.9174.2178.2179.50110.8
258D49.6Very low42.2Very low167 Ų167148.4 Ų148.489%0.89375%0.748SS**  trans-142.8171.6136.4-97.9-44.6000111.7
259Y40Very low42.2Very low197 Ų197147.2 Ų147.277%0.77375%0.75SS**  trans-128.2-178.9-169.6-114.7-112.1000110.8
260Y40.2Very low42.6Very low220 Ų220144.9 Ų144.986%0.86375%0.746SS**  trans74.1143.1-175.3-58.9-92.9000114.1
261S39.8Very low42.7Very low96 Ų96146.5 Ų146.567%0.67175%0.754SS**  cis134.1139.6-11.1-1770000108.5
262S38.6Very low42.4Very low94 Ų94142.2 Ų142.266%0.65776%0.758SS**  trans82.2133.9156.6-790000120.7
263D42.6Very low42.1Very low134 Ų134139.1 Ų139.172%0.71776%0.764SS**  trans81.4125.8139.9-51.1-6.2000121.3
264E45.5Very low41.8Very low163 Ų163140.9 Ų140.976%0.76277%0.772SS**  trans57.2159.5165.7-37.6-5467.600118.2
265D47.3Very low41.4Very low126 Ų126142.8 Ų142.867%0.67478%0.781SS**  cis-153.3-170.912.3-144.2-25.7000113.1
266Q45.8Very low41.1Very low175 Ų175138.6 Ų138.682%0.81878%0.781SS**  trans-68.9146.9-170.8-7110947.500119.2
267G39.4Very low40.8Very low77 Ų77135.7 Ų135.779%0.79478%0.784SS**  105.2148.411200000121.1
268G39.3Very low40.7Very low76 Ų76136.7 Ų136.778%0.78479%0.789SS**  trans89.5122174.800000113.4
269S40.5Very low40Very low104 Ų104135.1 Ų135.173%0.72779%0.785SS**  55130.552-102.30000113.6
270E42.4Very low39.7Very low151 Ų151135.2 Ų135.271%0.70679%0.786SS**  cis-164.8173.312.3-148.9161-82.400113.4
271L44.6Very low39.3Very low165 Ų165135.8 Ų135.886%0.86479%0.788SS**  trans69.2149.2165-54.7171.5000118.9
272G36.4Very low39.6Very low80 Ų80135.5 Ų135.583%0.82578%0.784SS**  trans172.9-74.2171.600000116.1
273G35.8Very low39.5Very low75 Ų75137.3 Ų137.377%0.77379%0.786SS**  trans91.3-167.4176.200000116.7
274I38.7Very low39.2Very low169 Ų169136.4 Ų136.487%0.86780%0.797SS**  trans69.784.9-175.9-45.5-177.7000115.7
275L35.6Very low39Very low172 Ų172133.7 Ų133.790%0.90180%0.796SS**  trans1.1124.9146.9-65.3161.5000118.4
276S36.4Very low38.6Very low111 Ų111132.2 Ų132.278%0.77680%0.795SS**  trans-138.2123.1155.8-166.20000110.8K278S276-K278 PolarHBondContact O-N 2.84Å; S276-K278 VanDerWaalsContact O-N 3.16Å
277S35.6Very low38.2Very low127 Ų127132 Ų13289%0.88880%0.797SS**  trans-79.494.1-170.3-47.30000111.8
278K39.7Very low38.1Very low192 Ų192131.7 Ų131.784%0.83578%0.783SS**  trans-127.953.4-172.3-157.4-179.2178.1-179.90115S276S276-K278 PolarHBondContact O-N 2.84Å; S276-K278 VanDerWaalsContact O-N 3.16Å
279T36.5Very low38.1Very low133 Ų133133 Ų13382%0.81678%0.776SS**  trans-154.4107.7169.3-7.70000111.7
280Y32.6Very low38.1Very low200 Ų200136.6 Ų136.678%0.78478%0.775SS**  176.996.9120.6-129.4-103000111.6P282Y280-P282 HydrophobicContact CD1-CG 4.29Å; Y280-P282 HydrophobicContact CE1-CG 4.07Å
281Y32.8Very low38.5Very low231 Ų231133.6 Ų133.691%0.90677%0.77SS**  trans-139.2100.4154.8-94.3-79.5000106.6
282P44.9Very low38.6Very low91 Ų91131 Ų13159%0.59175%0.754SS**  trans-79.4125.9164.431.2-29.5000108.4Y280Y280-P282 HydrophobicContact CD1-CG 4.29Å; Y280-P282 HydrophobicContact CE1-CG 4.07Å
283D38.2Very low38.9Very low132 Ų132132 Ų13271%0.70674%0.738SS**  trans-58.1144.7174.5-78.8-61.2000111.5S285D283-S285 PolarHBondContact O-N 2.73Å
284A35.7Very low39.6Very low114 Ų114133 Ų13394%0.94272%0.722SS**THydrogen-bonded Turntrans-75.335.9-175.600000113.7
285S40.4Very low40.2Very low107 Ų107128.9 Ų128.975%0.74871%0.708SS**THydrogen-bonded Turntrans-115.56-171.253.40000114.8D283D283-S285 PolarHBondContact O-N 2.73Å
286C40.1Very low40.8Very low94 Ų94128.6 Ų128.664%0.63570%0.702SS**  trans-132.894.3171.152.20000112.1S288C286-S288 VanDerWaalsContact C-N 3.31Å; C286-S288 PolarHBondContact O-N 3.15Å; C286-S288 VanDerWaalsContact O-N 3.08Å
287I37.2Very low41.5Very low170 Ų170130.3 Ų130.387%0.87270%0.702SS**  trans-79.687.4163.8-58.8178.5000107.2T289I287-T289 PolarHBondContact O-N 2.74Å
288S36.3Very low42.3Very low71 Ų71131.9 Ų131.950%0.49770%0.695SS.*  trans-53127.2172-94.90000110.7C286 E292C286-S288 VanDerWaalsContact C-N 3.31Å; C286-S288 PolarHBondContact O-N 3.15Å; C286-S288 VanDerWaalsContact O-N 3.08Å; S288-E292 WeakPolarHBondContact CB-OE2 3.41Å; S288-E292 PolarHBondContact OG-OE2 2.9Å
289T40.8Very low42.4Very low104 Ų104131.5 Ų131.564%0.63869%0.694SS**  trans-66.5143.7-176.6-27.10000109.7I287 S291 E292I287-T289 PolarHBondContact O-N 2.74Å; T289-S291 PolarHBondContact O-N 3.4Å; T289-E292 PolarHBondContact O-N 2.78Å; T289-E292 VanDerWaalsContact O-N 3.1Å
290Y39.1Very low42.6Very low179 Ų179130.6 Ų130.670%0.70269%0.69SS**THydrogen-bonded Turntrans-51.5-10.4179.3-84.2-81.3000116.3M293 F294Y290-M293 HydrophobicContact CD1-CE 3.56Å; Y290-M293 HydrophobicContact CE1-CE 3.92Å; Y290-M293 HydrophobicContact CG-CE 4.23Å; Y290-F294 VanDerWaalsContact O-CD2 3.29Å; Y290-F294 WeakPolarHBondContact O-CD2 3.47Å
291S51.4Low43.1Very low88 Ų88130.7 Ų130.762%0.61570%0.698SS**THydrogen-bonded Turntrans-72.1-32.4176.3-159.30000113.8T289 F294T289-S291 PolarHBondContact O-N 3.4Å; S291-F294 PolarHBondContact O-N 2.73Å
292E46.8Very low43.4Very low110 Ų110127.2 Ų127.251%0.51469%0.689SS.*G310 helixtrans-71.2-43.7-173.5-67173.7150.900111.2S288 T289 F294 S295S288-E292 WeakPolarHBondContact CB-OE2 3.41Å; S288-E292 PolarHBondContact OG-OE2 2.9Å; T289-E292 PolarHBondContact O-N 2.78Å; T289-E292 VanDerWaalsContact O-N 3.1Å; E292-F294 PolarHBondContact O-N 3.05Å; E292-S295 PolarHBondContact O-N 3.29Å; E292-S295 VanDerWaalsContact O-N 3.09Å
293M42.8Very low43Very low102 Ų102130.4 Ų130.450%0.50270%0.701SS.*G310 helixtrans-62.1-10178.4-65.3-175.8-72.800114.8Y290Y290-M293 HydrophobicContact CD1-CE 3.56Å; Y290-M293 HydrophobicContact CE1-CE 3.92Å; Y290-M293 HydrophobicContact CG-CE 4.23Å
294F50.6Low43Very low95 Ų95131 Ų13142%0.41770%0.703SS.*G310 helixtrans-95.3-16.8175.6-78.7-59000114.7Y290 S291 E292Y290-F294 VanDerWaalsContact O-CD2 3.29Å; Y290-F294 WeakPolarHBondContact O-CD2 3.47Å; S291-F294 PolarHBondContact O-N 2.73Å; E292-F294 PolarHBondContact O-N 3.05Å
295S50.8Low43Very low83 Ų83134.4 Ų134.458%0.5870%0.698SS**THydrogen-bonded Turntrans-79-31.9180-63.70000113.2E292E292-S295 PolarHBondContact O-N 3.29Å; E292-S295 VanDerWaalsContact O-N 3.09Å
296E49.2Very low42.8Very low166 Ų166134.7 Ų134.778%0.77670%0.701SS**G310 helixtrans-74.6-33-179.9-63.3-170123.800113Q298E296-Q298 PolarHBondContact O-N 3.37Å; E296-Q298 VanDerWaalsContact O-N 3.12Å
297L49.3Very low42.7Very low148 Ų148138.6 Ų138.678%0.77571%0.709SS**G310 helixtrans-76.59.2-179.3-70.4173.5000114.4
298Q53.1Low42.6Very low160 Ų160137.5 Ų137.575%0.74871%0.706SS**G310 helixtrans-120.99.8-170.2-144.91713.500114.9E296 P300E296-Q298 PolarHBondContact O-N 3.37Å; E296-Q298 VanDerWaalsContact O-N 3.12Å; Q298-P300 WeakPolarHBondContact O-CD 3.5Å
299K41.9Very low42.8Very low184 Ų184138.7 Ų138.780%0.871%0.711SS**  trans-89.7119.2170.6-70.7-177.2178178.40111.5
300P40.8Very low42.6Very low114 Ų114140.6 Ų140.674%0.7472%0.718SS**  trans-88113.4167.832.8-28.9000110.1Q298 Q302Q298-P300 WeakPolarHBondContact O-CD 3.5Å; P300-Q302 PolarHBondContact O-N 3.3Å
301E42.8Very low42.7Very low202 Ų202138.2 Ų138.294%0.94472%0.722SS**  trans-88.8104.1178.3-163.8161.3-12200110.6
302Q39.7Very low42.1Very low157 Ų157141 Ų14173%0.73473%0.727SS**  trans-103.8119.8168.9-65-179.2-1.800109.3P300P300-Q302 PolarHBondContact O-N 3.3Å
303L35.9Very low41.8Very low159 Ų159142.8 Ų142.883%0.83274%0.735SS**  -176.1149.4122.1-127.568.1000112
304I37.9Very low41.7Very low145 Ų145142.7 Ų142.774%0.74474%0.737SS**  trans-139.7138.9169-68.6-177.8000108.1
305H35.8Very low41.4Very low184 Ų184146.6 Ų146.685%0.85276%0.756SS**  trans71.2108167.2-76.318.2000120.8
306S36.8Very low40.8Very low114 Ų114145.9 Ų145.980%0.79776%0.762SS**  -164.5126.6129.946.40000107
307Q37.2Very low40.2Very low175 Ų175149.6 Ų149.682%0.81877%0.769SS**  59.195.163.9-78.3-165.2-19.500115.2
308N35.6Very low39.8Very low148 Ų148147 Ų14779%0.79176%0.763SS**  -174.5169.393-95.7-52.9000113
309P41.6Very low39.1Very low95 Ų95147.4 Ų147.462%0.61777%0.765SS**  trans-111-176.6-170.543.4-36.3000115.2
310D36.2Very low38.9Very low145 Ų145143.2 Ų143.278%0.77576%0.759SS**  trans59.1113.9154.4-57.8-30.7000120.8
311T41.6Very low38.8Very low129 Ų129142.3 Ų142.379%0.79176%0.755SS**  -163.9134.8127.840000114
312M37.5Very low38.6Very low146 Ų146143 Ų14372%0.71975%0.749SS**  trans62.9123.6145.3-78.3158.958.700123
313E41.7Very low38.7Very low147 Ų147142.3 Ų142.369%0.68775%0.749SS**  trans73.9146135.6-62.8-169.7-149.300120.4
314N40.7Very low39Very low101 Ų101143.3 Ų143.354%0.5475%0.747SS.*  cis-158145.7-16-120.4-33.1000111.4
315H43Very low39Very low177 Ų177142.6 Ų142.682%0.81975%0.745SS**  trans55.8139.7163.1-44.9-40.4000119.8
316G38.5Very low39.1Very low68 Ų68144.9 Ų144.970%0.70175%0.746SS**  cis170.3170.8-5.900000113.2
317R37.8Very low39.2Very low243 Ų243144.4 Ų144.492%0.91774%0.742SS**  trans70.2114.5-179.6-65.8-177.6177.1-129.2-3.8114.7
318S40.7Very low39.2Very low93 Ų93143.8 Ų143.865%0.6574%0.744SS**  77.1133.375.1-71.90000112.6
319E38.9Very low39.4Very low169 Ų169145 Ų14579%0.7975%0.75SS**  cis-155.71320.1-115.1153.7-112.900108.3
320S36.6Very low39.1Very low96 Ų96150.9 Ų150.967%0.67176%0.76SS**  79.4136.892.8-169.50000116.3
321S39.4Very low39.2Very low96 Ų96154 Ų15467%0.67176%0.761SS**  trans79.7150.7159.3980000117
322R38.9Very low38.8Very low215 Ų215153.9 Ų153.981%0.81176%0.76SS**  cis-166.7162.1-9.8-122.6168.2-153.8162.13.8110.8
323I41.6Very low38.9Very low143 Ų143155 Ų15573%0.73377%0.768SS**  trans67.5114158.2-61.4155.3000114.9
324K41.5Very low38.6Very low181 Ų181153 Ų15379%0.78777%0.77SS**  cis80.6134.444.8-69.4-167.7172.7-1780116.5
325N37Very low38.8Very low130 Ų130154.6 Ų154.670%0.69579%0.786SS**  trans93.2138.5145.7-65.5-24.1000121.5
326R38.4Very low38.2Very low232 Ų232151.3 Ų151.388%0.87578%0.783SS**  trans73.7144.3153.7-69.6160.6-176.7-171-0.5117.4
327S40Very low38.2Very low104 Ų104154.2 Ų154.273%0.72779%0.791SS**  cis-165.1154.4-14.442.30000111.9
328N35.9Very low38.1Very low161 Ų161149.1 Ų149.186%0.86178%0.782SS**  trans-55.9143.5169.7-57.5-77.1000112.7
329L39.3Very low38.1Very low175 Ų175152 Ų15292%0.91679%0.785SS**  trans-152.8150.6146.4-112.8164.1000111
330R37.2Very low38.2Very low218 Ų218152.5 Ų152.582%0.82379%0.785SS**  trans-98.5166.1-173.5-71.1164.3142.3164-10.5111.2
331R37.5Very low38.2Very low211 Ų211156.2 Ų156.280%0.79679%0.791SS**  trans95.1110.8136.3-153.9-173.9-61.8164.60.7117.2
332V33.8Very low38.5Very low126 Ų126156.5 Ų156.576%0.76479%0.791SS**  trans32.7121.3135.8-171.20000118.5
333L37.7Very low38.7Very low169 Ų169151.2 Ų151.289%0.88578%0.783SS**  -170.4158.2123.9-101.2166.5000111.3
334S35.4Very low38.7Very low105 Ų105151.2 Ų151.273%0.73478%0.784SS**  trans-81.7148.8-176.1-490000112.8S336S334-S336 PolarHBondContact O-N 2.95Å
335P44.9Very low38.5Very low134 Ų134146.8 Ų146.887%0.8778%0.776SS**  trans-76.6121.2171.131-32.5000111.1
336S31.4Very low38.6Very low109 Ų109149.9 Ų149.976%0.76278%0.784SS**  trans-143.8111.7162.3-1800000108.6S334S334-S336 PolarHBondContact O-N 2.95Å
337C38.9Very low38.7Very low129 Ų129145.3 Ų145.387%0.87278%0.776SS**  trans-151125.4168.9-158.20000109.1
338N35.8Very low38.7Very low135 Ų135150.3 Ų150.372%0.72278%0.779SS**  trans-97.5151.8176.8-65.5-79.1000109.5
339Q41Very low38.8Very low154 Ų154148.5 Ų148.572%0.7277%0.765SS**  155.7148.7113.5-82.9-172.613.500114.7
340K39.7Very low38.7Very low180 Ų180145.7 Ų145.778%0.78376%0.755SS**  trans78.888.2150-73.3155178.9157.40120.8
341E37Very low38.9Very low173 Ų173140.5 Ų140.581%0.80875%0.748SS**  -15.6166.7118.8-101.2-162.2114.300118.6
342P45.7Very low39Very low102 Ų102138.5 Ų138.566%0.66275%0.745SS**  cis-153.517943.740.8-17.9000121.5
343T43.2Very low39.2Very low105 Ų105142.5 Ų142.564%0.64475%0.747SS**  trans69.6101.9146.342.20000123.3
344N40.8Very low39.3Very low143 Ų143139.3 Ų139.377%0.76574%0.738SS**  171.8110.799.1-98.3-50.5000109.4
345S38.9Very low39.5Very low87 Ų87139.5 Ų139.561%0.60873%0.731SS**  83.8105.256.199.50000114.7
346F38.5Very low39.2Very low196 Ų196141.4 Ų141.486%0.8673%0.728SS**  trans-168.6124.4134.9-106.4-66.4000112.4
347L41.2Very low39.8Very low136 Ų136143 Ų14371%0.71273%0.727SS**  trans43.4112.3161.6-100.171.6000123.2
348R39.4Very low39.5Very low208 Ų208141.9 Ų141.979%0.78572%0.721SS**  55.7141.8115.1-66.5-172.2180-114.92.4120.2
349Q38.3Very low39.5Very low124 Ų124140.2 Ų140.258%0.57972%0.717SS**  cis-167146.26.6-129.3-173-109.900113.8
350T37Very low39.8Very low115 Ų115139.2 Ų139.271%0.70672%0.724SS**  trans58.4145.9149.447.60000120.2
351V40.9Very low40.1Very low110 Ų110135.8 Ų135.867%0.66771%0.713SS**  cis-155.5156.43.9112.80000111.2
352F39.3Very low40Very low169 Ų169135.3 Ų135.374%0.74172%0.716SS**  trans0.4135.5168.4-54.9-61.3000121.1
353R37.7Very low39.8Very low210 Ų210138.9 Ų138.979%0.79272%0.716SS**  55.9140.972.1-67-162.3-176.6-149.94.9113.1
354S40Very low39.4Very low101 Ų101143.3 Ų143.371%0.70673%0.729SS**  cis-148.8172.330.8-83.80000109.7
355D40Very low39.4Very low110 Ų110140.8 Ų140.859%0.58872%0.719SS**  cis-179.7173.1-20-91.3-52.6000104.7
356E39.1Very low39.2Very low173 Ų173142 Ų14281%0.80872%0.723SS**  trans78.6111.1157.8-76.7176.4-145.400124.2
357I43.3Very low39.1Very low142 Ų142140.3 Ų140.373%0.72872%0.723SS**  trans89.584.5138.2-54.2164000119.9
358S32.4Very low38.8Very low107 Ų107140 Ų14075%0.74872%0.72SS**  56.2110.6125-54.30000122.9
359P35.4Very low38.9Very low100 Ų100136.5 Ų136.565%0.64972%0.717SS**  trans-98.7153.515037.3-30.8000112.6I361P359-I361 HydrophobicContact CB-CG1 4.29Å; P359-I361 HydrophobicContact CG-CD1 4.35Å; P359-I361 HydrophobicContact CG-CG1 4.17Å
360P48.9Very low38.9Very low132 Ų132138.6 Ų138.686%0.85773%0.732SS**  trans-91.7102.6149.532.3-25.4000109.1
361I44.5Very low38.9Very low109 Ų109142 Ų14256%0.55974%0.738SS**  trans-82.6122.1168.9-66.6170.6000107.9P359 R363P359-I361 HydrophobicContact CB-CG1 4.29Å; P359-I361 HydrophobicContact CG-CD1 4.35Å; P359-I361 HydrophobicContact CG-CG1 4.17Å; I361-R363 HydrophobicContact CG2-CB 4.03Å; I361-R363 HydrophobicContact CG2-CG 3.61Å
362D36.3Very low38.7Very low162 Ų162142.2 Ų142.287%0.86674%0.742SS**  trans-109.9135.7152.9-159-10.1000108.9
363R42Very low38.5Very low178 Ų178142 Ų14267%0.67275%0.747SS**  trans-118.677.8-147.4-131.4175.1-160.6170.24.7112.2I361 T365I361-R363 HydrophobicContact CG2-CB 4.03Å; I361-R363 HydrophobicContact CG2-CG 3.61Å; R363-T365 PolarHBondContact O-N 3.25Å
364H34.6Very low38.4Very low197 Ų197136.5 Ų136.591%0.91274%0.741SS**  trans-71.871162.6-76.8-49.8000111.3
365T40Very low38.3Very low90 Ų90136.8 Ų136.855%0.55274%0.743SS**  trans-137.4109.2172.455.30000112R363R363-T365 PolarHBondContact O-N 3.25Å
366T34.4Very low38.1Very low114 Ų114136.6 Ų136.670%0.69975%0.75SS**  trans50.995.114159.90000118.9
367N37Very low38Very low159 Ų159134.2 Ų134.285%0.8575%0.747SS**  -91.9109119.8-74.1-39.6000105.2
368I35.5Very low37.8Very low129 Ų129134.6 Ų134.666%0.66275%0.751SS**  67.3100.669.5-59.9165.2000110.3
369L40.7Very low38Very low136 Ų136137.1 Ų137.171%0.71275%0.751SS**  trans177.357.3140.1-95165.8000110.3F371L369-F371 HydrophobicContact CD2-CD2 3.64Å; L369-F371 HydrophobicContact CD2-CE2 3.53Å
370D37Very low37.9Very low167 Ų167142.3 Ų142.389%0.89376%0.763SS**  trans-78.8114.3160.2-80.6-47.9000107.8
371F37.8Very low37.3Very low188 Ų188140.7 Ų140.783%0.82575%0.753SS**  trans-100127.9179.4-116.3-83.8000111.4L369L369-F371 HydrophobicContact CD2-CD2 3.64Å; L369-F371 HydrophobicContact CD2-CE2 3.53Å
372C35.9Very low36.9Very low113 Ų113143.9 Ų143.976%0.76477%0.765SS**  trans-88.3133.5-171.2-59.40000113.8
373I36.8Very low36.7Very low164 Ų164143.6 Ų143.684%0.84176%0.763SS**  trans-145.1104.2152.7-50.8179.3000105
374S34.6Very low36.2Very low96 Ų96145.6 Ų145.667%0.67177%0.77SS**  cis105.7159.734.878.40000112.1
375S37.2Very low36.2Very low106 Ų106141.9 Ų141.974%0.74176%0.762SS**  trans67.4120.5-166.170.40000114.9
376S36.5Very low35.9Very low106 Ų106142.7 Ų142.774%0.74177%0.771SS**  cis83.8143.345.775.40000113.3
377V37Very low36.2Very low124 Ų124144.4 Ų144.475%0.75278%0.775SS**  cis-132.8179.63.7-127.20000107.8
378D38.6Very low36.3Very low149 Ų149141.5 Ų141.580%0.79776%0.76SS**  cis-160.6171.439-125.8-39.6000113
379Q36.7Very low36.5Very low161 Ų161143 Ų14375%0.75276%0.761SS**  trans-115144.2-176.6-57.8177.67.800113.7
380F33.5Very low36.4Very low208 Ų208142.9 Ų142.991%0.91277%0.767SS**  trans-156113.1153.6-94.7-66.2000112.9
381P36.4Very low36.4Very low98 Ų98139.4 Ų139.464%0.63676%0.761SS**  trans-129.999.7175.636.6-20.3000114.6
382H36.3Very low36.6Very low176 Ų176138 Ų13882%0.81576%0.76SS**  trans-133.8131.4162.3-68.7-23.5000108.5
383L33.3Very low36.7Very low157 Ų157140 Ų14082%0.82276%0.758SS**  cis73.4122.440-77.2172.4000116.4
384R30.5Very low37Very low219 Ų219138.7 Ų138.783%0.82675%0.748SS**  trans93.8124.2152.4-75.8-175.2170.7177.5-2.2122.2
385T34.5Very low37.3Very low119 Ų119140.8 Ų140.873%0.7375%0.752SS**  trans86.6130.4130.847.60000123.6
386S33.1Very low37.5Very low107 Ų107142.7 Ų142.775%0.74875%0.754SS**  trans68.3151.7159.571.70000116.3
387L40.4Very low38Very low150 Ų150145 Ų14579%0.78576%0.757SS**  cis-156.2163.5-0.4-138.228.9000106
388D39.2Very low38.2Very low98 Ų98148 Ų14852%0.52476%0.763SS.*  cis-157.7-1646.6-152.4-16.9000110.5
389K40.2Very low38.1Very low161 Ų161146.2 Ų146.270%0.776%0.762SS**  trans-14.8154.1152.6-68.3146-157.2135.10118.7
390T40.1Very low38.3Very low134 Ų134143 Ų14382%0.82276%0.763SS**  cis-156165.315.8-80000111.5
391A35.1Very low38.3Very low94 Ų94140 Ų14078%0.77775%0.752SS**  trans-124.9134.317600000113.1
392I43.4Very low38.5Very low157 Ų157141.2 Ų141.281%0.80576%0.763SS**  trans-158.3119.1172.1-34.8176.6000102.9
393H37.7Very low38.3Very low156 Ų156143.1 Ų143.172%0.72276%0.763SS**  cis78.5147.334-134.4-65.3000114.9
394E42.5Very low38.4Very low136 Ų136139.2 Ų139.264%0.63676%0.76SS**  trans65.2107.3-175.2-32.3-49.7177.100113.5
395D41.1Very low38.6Very low141 Ų141137 Ų13775%0.75476%0.764SS**  80.6111.771.5-81.64.7000112.9
396D41Very low38.6Very low145 Ų145137 Ų13778%0.77576%0.764SS**  -170.9128.5112.3-115.2-20000114.5
397L47.9Very low38.6Very low154 Ų154138.6 Ų138.681%0.80676%0.764SS**  trans38.9151.7138.9-64.4170.7000125.8
398E40.9Very low38.3Very low188 Ų188140.9 Ų140.988%0.87976%0.762SS**  trans87.5133.3161.5-53.5-152.7143.200121.5
399S37.3Very low38Very low111 Ų111146.5 Ų146.578%0.77678%0.776SS**  cis-169.3161.2-44.1-169.10000108.9
400A39.2Very low37.8Very low93 Ų93144.2 Ų144.277%0.76978%0.775SS**  trans62.9119.8158.200000120.6
401E34.6Very low37.5Very low146 Ų146143.8 Ų143.868%0.68276%0.764SS**  trans-67.5168.2161.6-53.1175.283.400112.3R403E401-R403 IonicContact OE1-NE 3.87Å
402S39.5Very low37.5Very low123 Ų123145.4 Ų145.486%0.8676%0.755SS**  -160.2142.5111.7330000115.3
403R32.9Very low37.2Very low217 Ų217142.4 Ų142.482%0.81975%0.748SS**  trans-66.8146-172.8-54.8161.9-173.5-179.21.3113.3E401E401-R403 IonicContact OE1-NE 3.87Å
404G35Very low37.3Very low75 Ų75143.7 Ų143.777%0.77376%0.755SS**  trans-166.5133.7166.200000113
405L34.1Very low37Very low171 Ų171141.6 Ų141.690%0.89575%0.745SS**  trans-123165.5-176.1-74169.5000112.3
406V34.6Very low36.9Very low121 Ų121141.2 Ų141.273%0.73374%0.739SS**  trans89.6110.2158.9-170.40000118.5
407N33.5Very low37.2Very low140 Ų140140.2 Ų140.275%0.74973%0.733SS**  trans24.9151.2133.9-53.9-75.5000120.7
408R34.6Very low37.2Very low198 Ų198140 Ų14075%0.74773%0.728SS**  cis-178.2135.940.1-158.9-173.6-103.8-176.1-2.3113.8
409R33.2Very low37.4Very low215 Ų215139.6 Ų139.681%0.81173%0.726SS**  trans58.9163147.5-76.9178.2-162.3-171.63.8121.1
410V35.9Very low37.7Very low113 Ų113140.9 Ų140.969%0.68572%0.724SS**  cis-172.8-179.9-32.488.10000110.5
411Q34.5Very low37.9Very low126 Ų126142.6 Ų142.659%0.58972%0.719SS**  trans83.1121.4169.3-89.6170.5-45.800117.3M660Q411-M660 HydrophobicContact CG-SD 4.19Å
412Q34.9Very low38.2Very low127 Ų127143.3 Ų143.359%0.59373%0.727SS**  77145.680.1-77.2-164.4-73.700113.2M660Q412-M660 VanDerWaalsContact CD-SD 3.55Å; Q412-M660 HydrophobicContact CG-SD 3.98Å; Q412-M660 PolarHBondContact OE1-SD 3.4Å
413S35.5Very low38Very low95 Ų95141.7 Ų141.766%0.66472%0.721SS**  cis178.5158.2-9.7490000109.7
414Q40.2Very low38.4Very low183 Ų183136.6 Ų136.686%0.85572%0.716SS**  trans-158.5175.2149.7-158.4132.1-19.600113.2
415E37.5Very low38.4Very low91 Ų91141.4 Ų141.443%0.42572%0.718SS.*  trans-138.8159.7-169-173.4163.4-158.200107.1S172 V173S172-E415 WeakPolarHBondContact CB-OE1 3.48Å; S172-E415 PolarHBondContact OG-OE1 3.46Å; V173-E415 PolarHBondContact N-OE1 3.37Å
416E39.1Very low38.5Very low133 Ų133141.7 Ų141.762%0.62172%0.72SS**  166.8166105.7-86.8179.6144.600110.8S174S174-E416 VanDerWaalsContact CB-CA 3.43Å; S174-E416 VanDerWaalsContact CB-O 3.22Å; S174-E416 WeakPolarHBondContact CB-O 3.42Å; S174-E416 PolarHBondContact OG-O 3.3Å
417L46Very low38.3Very low125 Ų125141.1 Ų141.165%0.65472%0.721SS**  151.1140.8121.3-149.868.1000115.3
418E47.5Very low38.3Very low150 Ų150141.6 Ų141.670%0.70172%0.722SS**  trans51.2104.7160.4-79145-151.500119.8
419E46.2Very low38.4Very low178 Ų178139.3 Ų139.383%0.83272%0.723SS**  63.2123.469.4-59.3-162.3164.700115.1
420D42.2Very low38.4Very low139 Ų139136.1 Ų136.174%0.74373%0.728SS**  -166.6147.3113.5-126.1-0.4000116.9
421L44.3Very low38.2Very low128 Ų128133.8 Ų133.867%0.6773%0.726SS**  trans47.7114.8151.5-63169.7000125.2
422L41.2Very low38Very low162 Ų162132.5 Ų132.585%0.84873%0.732SS**  83.9154.2129.6-62.2171.8000122.7
423A35.7Very low37.8Very low89 Ų89133.3 Ų133.374%0.73674%0.74SS**  trans-158.6-157.5-176.800000106.7
424P41.7Very low37.7Very low109 Ų109135.2 Ų135.271%0.70875%0.748SS**  cis-127.4-165.1-2537.5-17.9000112.2
425E34.3Very low37.2Very low177 Ų177130.4 Ų130.483%0.82774%0.74SS**  trans57.5120.8159.5-56.5-160.1-164.200121.9
426L36.7Very low37.2Very low177 Ų177133 Ų13393%0.92776%0.761SS**  trans-142.3137.3139.9-83.7-174.8000110.4
427S30.5Very low36.7Very low108 Ų108132.1 Ų132.176%0.75577%0.77SS**  trans-140177.7168-75.70000108.4
428I33.3Very low36.3Very low151 Ų151130.4 Ų130.477%0.77477%0.769SS**  trans92.794.7174.3-52.6170.8000116.1
429I36.1Very low36Very low150 Ų150130.3 Ų130.377%0.76977%0.773SS**  39.9127.9117.7-54.4157.6000119.4
430T32.6Very low35.4Very low147 Ų147125.5 Ų125.590%0.90277%0.771SS**  trans-169.2161.2132.311.70000111.6
431G31.5Very low35.1Very low64 Ų64125.5 Ų125.566%0.6678%0.776SS**  trans103.349.1175.300000116.2
432S30.9Very low34.5Very low100 Ų100126.9 Ų126.970%0.69978%0.783SS**  55.11108373.40000116.2
433N31.4Very low34.3Very low143 Ų143125.7 Ų125.777%0.76578%0.782SS**  178129117-86.8-7.4000112.8
434T32.1Very low34.1Very low135 Ų135125.7 Ų125.783%0.82878%0.777SS**  trans49.5137.6148.6570000121.4
435A31.2Very low34Very low83 Ų83126.9 Ų126.969%0.68678%0.782SS**  cis-168-172.5-8.500000110.2
436T35.8Very low33.9Very low144 Ų144125.8 Ų125.888%0.88378%0.781SS**  trans63.189.416565.70000118.9
437S29.1Very low33.9Very low115 Ų115123.2 Ų123.280%0.80477%0.773SS**  -116.8151124.465.30000108.1
438S38.1Very low34Very low89 Ų89124 Ų12462%0.62277%0.769SS**  trans-77.1164.1163.860.70000110.1
439D40.7Very low34Very low148 Ų148123.2 Ų123.279%0.79177%0.771SS**  trans58.293163.6-37.1-51.8000114.3
440G34.3Very low33.8Very low77 Ų77119.4 Ų119.479%0.79477%0.769SS**  85.5113.956.600000108.5
441V36.1Very low33.8Very low140 Ų140117.1 Ų117.185%0.84877%0.765SS**  cis-146.1158.740.9167.50000111
442L30.1Very low33.7Very low157 Ų157121.4 Ų121.482%0.82277%0.77SS**  trans-122.9138.7176-72.4172.4000113.4
443V37.9Very low33.7Very low137 Ų137123.7 Ų123.783%0.8377%0.774SS**  trans-145.6121.1156.4-177.80000106.3
444S32Very low33.7Very low89 Ų89122.7 Ų122.762%0.62278%0.778SS**  cis105.476.511.5-53.90000116.4
445T39.3Very low33.5Very low133 Ų133121.1 Ų121.182%0.81677%0.771SS**  trans-153.5115.5150.3480000105.7
446L32Very low33.4Very low155 Ų155124.2 Ų124.281%0.81278%0.776SS**  51.7122.455.2-69.4157000110.7
447T36Very low33.2Very low122 Ų122121.8 Ų121.875%0.74877%0.765SS**  cis-147.8178.94548.70000111.5
448D33Very low33.5Very low124 Ų124122.2 Ų122.266%0.66377%0.768SS**  cis-158167.6-15.7-118.9-45.3000111.5
449T33.3Very low33.5Very low135 Ų135123.6 Ų123.683%0.82878%0.778SS**  trans40.7136.1156.258.50000122.1
450G32.2Very low33.2Very low71 Ų71120 Ų12073%0.73278%0.776SS**  cis148.4137.7-8.500000114.6
451A32.1Very low33.3Very low99 Ų99122.4 Ų122.482%0.81878%0.78SS**  trans62.1158.2156.700000120.2
452M30.7Very low33.3Very low153 Ų153119.8 Ų119.875%0.75477%0.768SS**  cis-162.8158.3-21.2-102-87.181.100109.1
453L31.3Very low34Very low149 Ų149124.1 Ų124.178%0.7877%0.774SS**  trans41.1123149.8-60.7165.9000121.4
454S31.4Very low34.6Very low121 Ų121128.5 Ų128.585%0.84678%0.775SS**  -160.6166.7102.8-160.50000111.5
455C26.4Very low35.4Very low103 Ų103134 Ų13470%0.69679%0.788SS**  trans-125.9175.7-170.554.80000112.7
456N30.1Very low35.6Very low147 Ų147132.1 Ų132.179%0.78678%0.78SS**  trans116.7145.6175.4-68.9-43.5000114.5
457S30.5Very low36.6Very low94 Ų94130.4 Ų130.466%0.65778%0.778SS**  cis-168.6160.9-26.1-109.10000109.7
458S36.7Very low37.3Very low123 Ų123131.2 Ų131.286%0.8678%0.783SS**  trans67.9157.9166.585.10000117.6
459S37.2Very low38.5Very low119 Ų119135.8 Ų135.883%0.83279%0.791SS**  cis-165.4150.2-31178.30000110.4
460G34.3Very low39.8Very low72 Ų72135.2 Ų135.274%0.74279%0.789SS**  trans82.9141.5156.400000117.7
461S36.5Very low40.7Very low127 Ų127140 Ų14089%0.88880%0.795SS**  cis-152.4149.2-9.6-171.80000111.4
462S37.1Very low41.9Very low86 Ų86143.7 Ų143.760%0.60180%0.795SS**  trans-87.1133.1-171.1-179.30000113.3R464S462-R464 PolarHBondContact OG-N 3.19Å
463R43.6Very low42.9Very low247 Ų247142.3 Ų142.393%0.93280%0.795SS**  trans-134.853146.4-75.5-162167.6-178-3.8111.6K465R463-K465 PolarHBondContact O-N 3.19Å; R463-K465 VanDerWaalsContact O-N 3.14Å
464R50.5Low43.5Very low230 Ų230141.8 Ų141.887%0.86879%0.792SS**  trans-61.4112.4160.5-62.4178.598.91776.5107.2S462 S466S462-R464 PolarHBondContact OG-N 3.19Å; R464-S466 PolarHBondContact O-N 3.4Å
465K49.2Very low44.1Very low205 Ų205146.9 Ų146.989%0.89179%0.793SS**PPolyproline II helixtrans-62.4123.2164.5-78.4-170.3173.9-172.90107R463R463-K465 PolarHBondContact O-N 3.19Å; R463-K465 VanDerWaalsContact O-N 3.14Å
466S43.4Very low44.9Very low93 Ų93147.6 Ų147.665%0.6579%0.794SS**PPolyproline II helixtrans-61.8148.3-179.443.90000111.1R464 V468R464-S466 PolarHBondContact O-N 3.4Å; S466-V468 PolarHBondContact O-N 2.99Å
467P53.9Low45.4Very low119 Ų119149.4 Ų149.477%0.77380%0.795SS**PPolyproline II helixtrans-53.7125.4154.9-19.532.3000107.9R469P467-R469 PolarHBondContact O-N 3.29Å; P467-R469 VanDerWaalsContact O-N 3.14Å
468V49Very low45.7Very low138 Ų138150.4 Ų150.484%0.83680%0.797SS**  trans-66.8114.6174.4176.70000106.8S466S466-V468 PolarHBondContact O-N 2.99Å
469R60Low45.4Very low221 Ų221149.2 Ų149.283%0.83479%0.785SS**PPolyproline II helixtrans-59.4135.4173.4-63.7-179-178176.1-0.3108.1P467 M471P467-R469 PolarHBondContact O-N 3.29Å; P467-R469 VanDerWaalsContact O-N 3.14Å; R469-M471 PolarHBondContact O-N 3.07Å; R469-M471 VanDerWaalsContact O-N 3.16Å
470P59.6Low45.4Very low122 Ų122151.9 Ų151.979%0.79278%0.784SS**PPolyproline II helixtrans-60.5121.2166.226.6-32.3000107.8Q472P470-Q472 PolarHBondContact O-N 3.07Å
471M52.1Low45.1Very low172 Ų172153.8 Ų153.885%0.84778%0.781SS**PPolyproline II helixtrans-66.7123.3173-69.7-159.4-55.400108.5R469 V473R469-M471 PolarHBondContact O-N 3.07Å; R469-M471 VanDerWaalsContact O-N 3.16Å; M471-V473 PolarHBondContact O-N 2.8Å; M471-V473 VanDerWaalsContact O-N 3.08Å
472Q56.6Low44.9Very low177 Ų177152.7 Ų152.783%0.82777%0.774SS**  trans-66.3108166.8-68.9170.7-65.100107.6P470 L474P470-Q472 PolarHBondContact O-N 3.07Å; Q472-L474 VanDerWaalsContact C-N 3.29Å; Q472-L474 HydrophobicContact CB-CD1 4.32Å; Q472-L474 PolarHBondContact O-N 3.3Å
473V51.3Low44.9Very low124 Ų124154.4 Ų154.475%0.75278%0.781SS**  trans-72.690.5170.6-178.70000107.4M471 R475M471-V473 PolarHBondContact O-N 2.8Å; M471-V473 VanDerWaalsContact O-N 3.08Å; V473-R475 PolarHBondContact O-N 3.32Å
474L45.1Very low44.3Very low138 Ų138149.7 Ų149.772%0.72378%0.779SS**  trans-60.1107.2162.6-9077.7000107.2Q472 T476Q472-L474 VanDerWaalsContact C-N 3.29Å; Q472-L474 HydrophobicContact CB-CD1 4.32Å; Q472-L474 PolarHBondContact O-N 3.3Å; L474-T476 VanDerWaalsContact C-N 3.26Å; L474-T476 PolarHBondContact O-N 2.93Å
475R43.1Very low43.5Very low228 Ų228143.2 Ų143.286%0.8678%0.775SS**  trans-70.392.7158.3-72.2-170.817899.6-4.3107V473 K477V473-R475 PolarHBondContact O-N 3.32Å; R475-K477 VanDerWaalsContact C-N 3.34Å; R475-K477 PolarHBondContact O-N 3.09Å
476T44Very low42.6Very low118 Ų118138 Ų13872%0.72477%0.77SS**  trans-58.3101.8160.836.80000107.7L474 T478L474-T476 VanDerWaalsContact C-N 3.26Å; L474-T476 PolarHBondContact O-N 2.93Å; T476-T478 PolarHBondContact O-N 2.72Å; T476-T478 VanDerWaalsContact O-N 3.13Å
477K39.6Very low42.3Very low185 Ų185139.6 Ų139.680%0.80478%0.778SS**  trans-61.1113.3158.1-69.1-177177.9-177.30105.5R475 T479R475-K477 VanDerWaalsContact C-N 3.34Å; R475-K477 PolarHBondContact O-N 3.09Å; K477-T479 PolarHBondContact O-N 3.41Å; K477-T479 PolarHBondContact O-OG1 3.32Å
478T36.9Very low41.4Very low114 Ų114138.5 Ų138.570%0.69977%0.773SS**  trans-72.374.8166.535.20000108.2T476 H480T476-T478 PolarHBondContact O-N 2.72Å; T476-T478 VanDerWaalsContact O-N 3.13Å; T478-H480 VanDerWaalsContact C-N 3.3Å; T478-H480 PolarHBondContact O-N 2.97Å
479T30.2Very low40.5Very low98 Ų98139.6 Ų139.660%0.60178%0.775SS**  trans-68.191.9172.4-39.30000107.4K477 T481K477-T479 PolarHBondContact O-N 3.41Å; K477-T479 PolarHBondContact O-OG1 3.32Å; T479-T481 HydrophobicContact CG2-CG2 3.81Å; T479-T481 PolarHBondContact O-N 3.03Å
480H37Very low39.2Very low176 Ų176133.7 Ų133.782%0.81577%0.773SS**  trans-73.875.1168-76.9-79.4000109.1T478 S482T478-H480 VanDerWaalsContact C-N 3.3Å; T478-H480 PolarHBondContact O-N 2.97Å; H480-S482 PolarHBondContact O-N 2.87Å
481T29.4Very low37.6Very low112 Ų112133.8 Ų133.869%0.68778%0.776SS**  trans-68.9114.616345.80000109.3T479T479-T481 HydrophobicContact CG2-CG2 3.81Å; T479-T481 PolarHBondContact O-N 3.03Å
482S31.8Very low36.7Very low104 Ų104130.8 Ų130.873%0.72777%0.77SS**  trans-166.3134.6142.6-82.20000109.4H480H480-S482 PolarHBondContact O-N 2.87Å
483T35.9Very low35.6Very low122 Ų122128.6 Ų128.675%0.74877%0.769SS**  trans35.7100.5155.9550000116.4
484T31.1Very low34.5Very low148 Ų148130 Ų13091%0.90877%0.769SS**  cis52.765.547.8-40.70000112.8
485A34.1Very low34Very low94 Ų94132 Ų13278%0.77778%0.779SS**  trans-157.5113152.300000109.9
486A31.1Very low33.4Very low96 Ų96126.4 Ų126.479%0.79377%0.771SS**  trans-85.4156147.300000107
487P36.9Very low33.1Very low125 Ų125127.7 Ų127.781%0.81278%0.778SS**  -143.1178.990.138.6-23.4000115.1
488S35Very low32.8Very low96 Ų96122.3 Ų122.367%0.67178%0.775SS**  trans-62.8155.2178.9520000116.3
489N29.9Very low32.8Very low162 Ų162122.2 Ų122.287%0.86678%0.779SS**  trans45.692140.7-59.32.2000118.5
490A33.2Very low33.1Very low96 Ų96124.9 Ų124.979%0.79379%0.79SS**  trans-149.9132.8145.500000110
491S25.7Very low33.2Very low124 Ų124123.9 Ų123.987%0.86779%0.791SS**  trans-84.9130.9167-55.70000109.5
492P32.8Very low33.6Very low110 Ų110124.1 Ų124.171%0.71480%0.797SS**  trans-118.6126135.2-3.424.2000109.4
493T33.4Very low33.9Very low131 Ų131124.5 Ų124.580%0.80480%0.797SS**  80.4111.483-580000112.2
494M27.3Very low33.6Very low153 Ų153127.9 Ų127.975%0.75480%0.801SS**  trans-42.3135.3170.3-64.5-91.3-7900113.7V496M494-V496 HydrophobicContact CE-CG2 3.61Å; M494-V496 HydrophobicContact SD-CG2 4.49Å
495L34.6Very low33.8Very low180 Ų180126.4 Ų126.494%0.94279%0.792SS**  trans-131.4126.6142.6-87.8177.9000108.9
496V32Very low33.5Very low111 Ų111131.6 Ų131.667%0.67380%0.797SS**  trans-106.8114.5-174.8173.50000109.5M494M494-V496 HydrophobicContact CE-CG2 3.61Å; M494-V496 HydrophobicContact SD-CG2 4.49Å
497T37.8Very low33.8Very low144 Ų144133 Ų13388%0.88380%0.797SS**  trans-147.1130.6156.953.70000107.2
498G32.2Very low33.4Very low72 Ų72132.2 Ų132.274%0.74279%0.794SS**  cis150.757.1400000110.5
499S36.5Very low33.5Very low112 Ų112133.5 Ų133.578%0.78380%0.8SS**  trans-157.4104.6177.560.80000110N501S499-N501 PolarHBondContact O-N 3.41Å
500D36.8Very low33.6Very low154 Ų154130.8 Ų130.882%0.82479%0.793SS**  trans-75.8124.2-175.7-50.5-79.9000111.4
501N39.2Very low33.5Very low156 Ų156132.1 Ų132.183%0.83479%0.792SS**  trans174.4139.8136.3-95.5-57.4000112.6S499S499-N501 PolarHBondContact O-N 3.41Å
502S37.9Very low33.9Very low117 Ų117132.7 Ų132.782%0.81879%0.789SS**  trans67.4136.5173.372.80000118.3
503P38.8Very low33.8Very low112 Ų112132.4 Ų132.473%0.72779%0.786SS**  trans-95.5165.9-174.537.6-36.8000115.4
504F30Very low33.7Very low192 Ų192133.1 Ų133.184%0.84279%0.785SS**  trans2.4140.5144.9-58.8-88.4000117.8
505V35.3Very low34Very low118 Ų118131.9 Ų131.972%0.71579%0.786SS**  -138139.157.1174.20000114T507V505-T507 HydrophobicContact CG1-CG2 3.79Å
506F27.6Very low33.7Very low202 Ų202129.5 Ų129.589%0.88678%0.779SS**  trans-106.9123.3159.7-108.6-90.4000109.3
507T36.4Very low33.9Very low127 Ų127135.3 Ų135.378%0.77979%0.79SS**  trans-128.297.7170.138.20000112V505V505-T507 HydrophobicContact CG1-CG2 3.79Å
508S28.9Very low33.6Very low107 Ų107133.1 Ų133.175%0.74878%0.781SS**  trans-136.4143.6153.2-69.30000104.1
509P36.7Very low33.7Very low123 Ų123141.1 Ų141.180%0.79979%0.789SS**  -158.3-174.171.244.4-24.2000117
510S33.5Very low33.4Very low105 Ų105141.1 Ų141.173%0.73479%0.788SS**  trans54.8129.2143.6-146.70000122.4
511V30.1Very low33.5Very low125 Ų125141.4 Ų141.476%0.75879%0.789SS**  trans-67138.8152.9179.60000110
512V34.9Very low33.5Very low135 Ų135138.2 Ų138.282%0.81878%0.779SS**  trans-142.3139.9152.3-177.70000108.7
513T30.1Very low33.4Very low104 Ų104140 Ų14064%0.63878%0.779SS**  trans-107.7133.2176.449.80000111
514N30.3Very low33.5Very low147 Ų147142 Ų14279%0.78678%0.783SS**  171.2159127.8-95.2-20.9000117
515T33.8Very low34Very low126 Ų126139.7 Ų139.777%0.77378%0.779SS**  trans52.3103.1147.653.40000121.7
516V29.9Very low34.4Very low130 Ų130141.2 Ų141.279%0.78878%0.782SS**  trans-12.9129.1137-1780000116.8
517Y34.2Very low35Very low233 Ų233134.9 Ų134.991%0.91477%0.774SS**  trans-156.9156131.7-112.1-75.1000109.9
518S31.9Very low35.3Very low98 Ų98136.6 Ų136.669%0.68577%0.772SS**  trans-137.7147.5-175.855.10000113
519R34.5Very low35.8Very low241 Ų241138.7 Ų138.791%0.90978%0.775SS**  trans-174152.3157.7-99.3149.7-151.4-86.11.3109.7
520S31.1Very low36Very low111 Ų111136.5 Ų136.578%0.77678%0.775SS**  trans-113161.2175.2-47.70000110.1
521L39.5Very low36.2Very low161 Ų161139.2 Ų139.284%0.84378%0.782SS**  170.4156.2118.7-91.2166.8000113.7
522S37.8Very low36.6Very low88 Ų88139.6 Ų139.662%0.61578%0.784SS**  trans52.3111.4152.458.70000121.8
523D36.6Very low36.6Very low155 Ų155141 Ų14183%0.82979%0.786SS**  40.1131.4110.2-35.6-38.1000120.7
524L40.6Very low36.9Very low154 Ų154140.3 Ų140.381%0.80679%0.791SS**  178.7103.5110.3-170.368.7000114
525D40.3Very low37Very low143 Ų143139.9 Ų139.977%0.76579%0.794SS**  trans51.6167.2130.9-147.38.5000124.8
526I43.4Very low36.9Very low151 Ų151137 Ų13777%0.77479%0.789SS**  trans82.2129.2164.6-52.6163.1000117.6
527G39.8Very low37Very low69 Ų69138.7 Ų138.771%0.71179%0.792SS**  trans157.535.6158.700000123
528H43.3Very low36.6Very low162 Ų162133.2 Ų133.275%0.7579%0.786SS**  trans9.7131.1161.8-81.1-86.6000123.5
529D39.9Very low36.5Very low151 Ų151133.7 Ų133.781%0.80779%0.79SS**  trans62124.1135.7-51.1-25.5000122.4
530G40.1Very low36.2Very low78 Ų78124 Ų12480%0.80476%0.757SS**  trans171.5111.1169.700000111.4
531D37.7Very low36.3Very low161 Ų161125.9 Ų125.986%0.86176%0.758SS**  trans-64136-171.9-64.4-72.8000114.2
532V38.7Very low36Very low134 Ų134121.7 Ų121.781%0.81274%0.742SS**  -177.814196.41550000110.9
533L34.2Very low35.9Very low165 Ų165119.3 Ų119.386%0.86473%0.731SS**  trans-36.4145.3171.6-55170.8000115.3
534A37Very low35.9Very low89 Ų89119.3 Ų119.374%0.73673%0.731SS**  cis-145.9154.55.500000112.8
535T31.9Very low35.4Very low138 Ų138119.4 Ų119.485%0.84773%0.732SS**  trans-34.1137.6164.351.20000113.5
536G32.3Very low35.3Very low65 Ų65117.1 Ų117.167%0.6773%0.725SS**  cis107.1154.732.100000109.5
537I33.2Very low34.8Very low165 Ų165118.2 Ų118.285%0.84673%0.727SS**  cis-154.6131.4318.2171.8000109.2
538C25.6Very low34.4Very low119 Ų119120 Ų12080%0.80473%0.729SS**  trans-106.792165.2-76.20000110.1
539S28.4Very low33.8Very low108 Ų108120.3 Ų120.376%0.75574%0.735SS**  trans-162.6125.4160.8-81.60000110.8
540V29.6Very low33.5Very low38 Ų38116.3 Ų116.323%0.2373%0.73CS.*  cis99.637.214.1-37.10000119.2T803 T804 Q805V540-T803 HydrophobicContact CG2-CG2 4.41Å; V540-T804 HydrophobicContact CB-CG2 3.78Å; V540-T804 WeakPolarHBondContact CG1-O 3.36Å; V540-T804 HydrophobicContact CG2-CG2 3.33Å; V540-Q805 PolarHBondContact O-NE2 2.83Å
541L31.7Very low33Very low149 Ų149121.4 Ų121.478%0.7873%0.733SS**  trans-48.5158.1165.3-56.5171.4000116.2Q805L541-Q805 WeakPolarHBondContact O-CB 3.34Å; L541-Q805 VanDerWaalsContact O-CG 3.25Å; L541-Q805 WeakPolarHBondContact O-CG 3.38Å; L541-Q805 PolarHBondContact O-NE2 2.85Å
542S34.4Very low32.8Very low73 Ų73119 Ų11951%0.5173%0.729SS.*  trans-130168.8-163.2-155.70000120.3Q805S542-Q805 PolarHBondContact OG-NE2 3.15Å; S542-Q805 PolarHBondContact OG-OE1 3.3Å
543G34.7Very low32.4Very low38 Ų38118 Ų11839%0.39272%0.719SS.*  trans130.5132.5169.400000113.2
544N36Very low32.4Very low156 Ų156117.5 Ų117.583%0.83471%0.712SS**  cis114.2105.118.2-82.3-27.5000113.5
545N31.9Very low32Very low155 Ų155116 Ų11683%0.82970%0.696SS**  trans10.4155.1140-106.1-21.4000120.6
546P38.2Very low32.2Very low95 Ų95117 Ų11762%0.61770%0.696SS**  cis-143.5-163.215.241.3-19.4000116.3
547Q32Very low32.1Very low174 Ų174122 Ų12281%0.81370%0.701SS**  trans74.7118.6157.7-72.1174.7-45.400120.5
548S30.6Very low32.1Very low107 Ų107121.7 Ų121.775%0.74870%0.701SS**  trans76146.1140800000121.1
549L30.9Very low32.3Very low168 Ų168121.4 Ų121.488%0.8870%0.696SS**  trans58.4152159-89.469.2000119.8
550G35.2Very low32.4Very low67 Ų67127.2 Ų127.269%0.69170%0.703SS**  trans76.4111.5175.500000113
551E29Very low32.3Very low185 Ų185131.2 Ų131.286%0.86473%0.727SS**  cis53.9133.726-66.2-155.8138.300115.5
552S33Very low32.2Very low112 Ų112130.6 Ų130.678%0.78373%0.73SS**  trans68153169.575.80000117.6
553N31.5Very low32Very low112 Ų112133.6 Ų133.660%0.59974%0.74SS**  cis-176.2170.4-43.6-116.6-47.4000107.7
554Q33.7Very low31.6Very low154 Ų154139.8 Ų139.872%0.7276%0.764SS**  trans57.894145.7-75.6163.252.500119.1
555S28.8Very low31.5Very low59 Ų59137.1 Ų137.141%0.41376%0.757SS.*  63.2138.3105.968.80000120.4H811S555-H811 PolarHBondContact N-NE2 2.78Å
556L35.3Very low31.4Very low159 Ų159137.7 Ų137.783%0.83276%0.755SS**  -138.6146.9111.4-138.570.3000111.1
557E31.4Very low31.1Very low168 Ų168141.1 Ų141.179%0.78577%0.767SS**  trans-76.4154.7168.1-63.2163.411100109.8
558N33.2Very low31.1Very low159 Ų159139.8 Ų139.885%0.8576%0.761SS**  trans-155.5110.6146.7-106.9-33.1000111.3
559T27.9Very low31.3Very low113 Ų113142.5 Ų142.569%0.69377%0.766SS**  trans-67.9134.2176.2-56.70000111.3
560Y30.8Very low31.4Very low231 Ų231140.9 Ų140.991%0.90675%0.753SS**  trans-139.2145.8152.2-105-81.2000111.3
561V27.8Very low31.1Very low121 Ų121142.8 Ų142.873%0.73376%0.756SS**  trans-102.3127.8-170.6175.90000110.2
562V30.8Very low31.4Very low137 Ų137141.6 Ų141.683%0.8375%0.754SS**  trans-138.5146.3162.1-177.70000109.5
563N29.8Very low31.3Very low135 Ų135139.8 Ų139.872%0.72274%0.742SS**  trans-55.2158.8-169.3-59.8-29.1000116.7
564N26.3Very low31.4Very low169 Ų169141.8 Ų141.890%0.90475%0.752SS**  trans-61.5135.3148.3-66.9-27.8000109.4
565S33.8Very low31.5Very low99 Ų99142 Ų14269%0.69275%0.753SS**  trans-148.3148167.5-60.40000109.7
566E29.3Very low31.8Very low168 Ų168143.5 Ų143.579%0.78576%0.763SS**  trans-54.9141.5-169.6-62.698.9173.800114.5
567L33.1Very low31.8Very low166 Ų166144.8 Ų144.887%0.86977%0.765SS**  trans-133.872.1159.9-99.2172000109.7I569L567-I569 PolarHBondContact O-N 3.27Å
568E31.4Very low31.9Very low146 Ų146144.8 Ų144.868%0.68277%0.765SS**  trans-70.9105.5166.3-66.8-174.8117.600110.2H570E568-H570 PolarHBondContact O-N 3.2Å; E568-H570 VanDerWaalsContact O-N 3.12Å; E568-H570 PolarHBondContact O-ND1 2.92Å; E568-H570 IonicContact OE2-CE1 3.37Å; E568-H570 PolarHBondContact OE2-CE1 3.29Å
569I35.3Very low32Very low165 Ų165145.4 Ų145.485%0.84677%0.766SS**  trans-77.999.7167.5-60-177.6000108.3L567L567-I569 PolarHBondContact O-N 3.27Å
570H33Very low32.3Very low133 Ų133147.3 Ų147.362%0.61677%0.771SS**  trans-73.9150.5179.3-85.466.5000113.4E568E568-H570 PolarHBondContact O-N 3.2Å; E568-H570 VanDerWaalsContact O-N 3.12Å; E568-H570 PolarHBondContact O-ND1 2.92Å; E568-H570 IonicContact OE2-CE1 3.37Å; E568-H570 PolarHBondContact OE2-CE1 3.29Å
571S28.7Very low32.5Very low108 Ų108142.3 Ų142.376%0.75577%0.77SS**  trans69.6159157.6-54.90000116.8
572I34.6Very low32.8Very low159 Ų159142.3 Ų142.382%0.81578%0.776SS**  cis-135.3165.711.6-18-176.7000111.5
573S31.2Very low32.9Very low75 Ų75139.5 Ų139.552%0.52477%0.774SS.*  trans-38.2162.3175.8-46.80000117.2
574D33.6Very low33.1Very low154 Ų154138.5 Ų138.582%0.82478%0.778SS**  cis-142.313242.2-67.4-47.8000112.1
575H36.2Very low33.3Very low159 Ų159136 Ų13674%0.73677%0.771SS**  89.314361.9-87.576000115.7
576S33.6Very low33.3Very low90 Ų90139.8 Ų139.863%0.62978%0.782SS**  trans72133.8-171.5840000115.5
577H36.5Very low33.2Very low186 Ų186136.1 Ų136.186%0.86178%0.781SS**  cis-126.1157.7-9.2-85-79.3000111.5
578Q33Very low33Very low168 Ų168136 Ų13679%0.78578%0.78SS**  trans-81.4152.2-178.2-58.5168.9-0.800112.9
579I35.6Very low33Very low171 Ų171134.9 Ų134.988%0.87778%0.783SS**  -160.2142.6123.5-99153.8000107.9
580L33.9Very low32.5Very low153 Ų153133 Ų13380%0.80179%0.785SS**  trans-91.4141.8-165.2-65.971.6000112.9
581S35.5Very low32.5Very low127 Ų127134.8 Ų134.889%0.88880%0.797SS**  -159.3139128.6-164.30000110.5
582S33.1Very low32.5Very low121 Ų121134.7 Ų134.785%0.84680%0.797SS**  trans-109.4136.9-167.555.40000113.4
583G34.1Very low32.3Very low77 Ų77132.5 Ų132.579%0.79480%0.795SS**  trans-170.6108.1168.700000111.7
584S32.8Very low32.4Very low115 Ų115134.5 Ų134.580%0.80480%0.804SS**PPolyproline II helixtrans-98.3130.9-174.1-174.10000112.5
585P32.2Very low32.4Very low116 Ų116134.4 Ų134.475%0.75380%0.804SS**PPolyproline II helixtrans-87.7118.7168.233-29.3000111.1
586L32.5Very low32Very low179 Ų179135.2 Ų135.294%0.93781%0.807SS**PPolyproline II helixtrans-68.1135.3168.1-75.4165000110.5
587A26.5Very low31.9Very low91 Ų91136.9 Ų136.975%0.75281%0.814SS**  trans-134.1121173.900000110.3
588L30.1Very low31.7Very low162 Ų162133.9 Ų133.985%0.84881%0.811SS**  trans-139.5128.7170.3-78.3179.8000112.3
589T31.7Very low31.8Very low123 Ų123131.6 Ų131.676%0.75581%0.808SS**  trans51.8107.1147.6590000119.7
590S24.6Very low31.5Very low125 Ų125129.4 Ų129.487%0.87481%0.806SS**  trans-71.8143.7149.1-53.30000110.8
591I32.2Very low31.5Very low172 Ų172129.2 Ų129.288%0.88281%0.805SS**  trans-127.3132.4159.840.2172.7000108.8
592S29.4Very low31.3Very low106 Ų106129.3 Ų129.374%0.74180%0.795SS**  trans-118.2145.3-174.954.50000111.6
593S30.2Very low31.3Very low112 Ų112128.2 Ų128.278%0.78379%0.787SS**  trans58.4145176.7590000115.7
594V33.2Very low31.7Very low117 Ų117129.6 Ų129.671%0.70978%0.783SS**  -172.6140.480153.10000110.1
595N33.5Very low31.8Very low153 Ų153131.3 Ų131.382%0.81878%0.783SS**  trans62.1149.6158.3-66.5-11000124.2
596Q28.1Very low32Very low175 Ų175131.6 Ų131.682%0.81878%0.782SS**  trans-66.8153.4176.2-50.2155.324.100113.1
597V31.3Very low32.3Very low125 Ų125127.8 Ų127.876%0.75877%0.771SS**  -177.2137.8118.2144.90000109.4V599V597-V599 HydrophobicContact CG1-CG2 4.4Å
598P33Very low32.9Very low123 Ų123132.8 Ų132.880%0.79978%0.775SS**  trans-100.3132.2179.535.8-30.6000113.5
599V34.8Very low33.2Very low120 Ų120128.1 Ų128.173%0.72777%0.766SS**  trans-143.9130.3167-179.60000109.5V597 I601V597-V599 HydrophobicContact CG1-CG2 4.4Å; V599-I601 HydrophobicContact CG1-CD1 4.27Å
600C29.5Very low33.3Very low125 Ų125129.9 Ų129.985%0.84577%0.771SS**  trans-93.8142.1165.6-590000109.4
601I32.9Very low33.7Very low149 Ų149129 Ų12976%0.76476%0.761SS**  trans-158.7127.9160.3-105145.8000111.4V599V599-I601 HydrophobicContact CG1-CD1 4.27Å
602D32.5Very low33.7Very low130 Ų130126.4 Ų126.470%0.69575%0.752SS**  trans46.3111.6152.5-71.9-68.3000127
603S32Very low33.9Very low97 Ų97127.6 Ų127.668%0.67876%0.755SS**  68.7178.5103.3-54.20000120.7
604P43.3Very low34Very low107 Ų107127.1 Ų127.170%0.69575%0.752SS**  -136.5164-65.940.1-26.3000115.6
605N35.4Very low34.2Very low150 Ų150127.5 Ų127.580%0.80276%0.76SS**  trans175124.1139.6-94.8-46.7000109.3
606V35.8Very low34.4Very low122 Ų122123.7 Ų123.774%0.73976%0.757SS**  96.3109.256.81640000113.2
607S38.5Very low34.9Very low100 Ų100123.9 Ų123.970%0.69976%0.762SS**  trans-174.9107.6131.9-176.40000113.6
608K38.5Very low35.4Very low196 Ų196125.5 Ų125.585%0.85277%0.766SS**  trans31.3130.9134.1-51.3163.1-174.1173.50119.2
609G37.4Very low35.8Very low63 Ų63125.5 Ų125.565%0.64977%0.766SS**  cis153.8171.3-3.700000113.4
610N33.5Very low35.8Very low161 Ų161124.3 Ų124.386%0.86176%0.763SS**  trans74148.6159.8-555.7000118.8
611T32.6Very low36.2Very low107 Ų107125.2 Ų125.266%0.65676%0.758SS**  cis-168.6153.7-16.5-87.10000111.3
612T32.4Very low36.3Very low116 Ų116124.1 Ų124.171%0.71275%0.754SS**  trans71.8133.4160.643.10000125.2
613V33.1Very low36.4Very low131 Ų131122.9 Ų122.979%0.79475%0.751SS**  trans56.9147144.9-54.20000121.2
614S33.3Very low36.5Very low102 Ų102126 Ų12671%0.71375%0.754SS**  cis-162.8161.74.7-128.40000112.7
615S37.3Very low36Very low126 Ų126124.9 Ų124.988%0.88175%0.75SS**  trans59.9142.4164.3-55.80000118
616G38.1Very low35.8Very low73 Ų73123.6 Ų123.675%0.75375%0.747SS**  cis142.1141.2900000107.8
617L38.1Very low35.9Very low178 Ų178123.9 Ų123.993%0.93275%0.749SS**  cis-145.3169.512-83.7160.8000111.8
618L41.1Very low35.6Very low159 Ų159130.5 Ų130.583%0.83276%0.759SS**  trans-84.8-158.9173.7-61.1168.3000110
619P42.8Very low35.4Very low123 Ų123126.8 Ų126.880%0.79976%0.755SS**  cis-132.4-168.7-12.318.59000113.3
620S34.6Very low35.2Very low95 Ų95130.8 Ų130.866%0.66477%0.766SS**  cis174.2-174.4-35.7-174.20000108.3
621L38.2Very low35.1Very low144 Ų144128 Ų12875%0.75476%0.759SS**  trans77.1147.5157.8-56.5-171.4000119.7
622L35Very low35.2Very low127 Ų127129.9 Ų129.967%0.66577%0.77SS**  cis-171.1122.4-19.9-175.168.3000112.7
623T33.2Very low35.1Very low103 Ų103130 Ų13063%0.63277%0.771SS**  trans62.1176.9153.370.80000119.3
624Q35.4Very low35Very low162 Ų162131.2 Ų131.276%0.75777%0.768SS**  cis-146.9167.6-0.1-141.7155.9103.100114.4
625S30.9Very low35Very low85 Ų85133.7 Ų133.759%0.59477%0.768SS**  trans-31.1139.6174.2570000121.6
626T33Very low34.8Very low123 Ų123133.4 Ų133.476%0.75576%0.763SS**  45.5111.4117.7-40.30000120.2
627T36.3Very low34.8Very low127 Ų127138 Ų13878%0.77977%0.769SS**  -178.5133.1113.223.80000114.5
628R32.5Very low34.6Very low240 Ų240136.8 Ų136.891%0.90676%0.762SS**  trans52.4148.5151.7-68.2-173.2170.3-148.1-3.1121.9
629P35Very low34.2Very low118 Ų118134.1 Ų134.177%0.76676%0.756SS**  trans-103.8141.6177.538-31.5000114.4
630V33.8Very low33.9Very low147 Ų147139.4 Ų139.489%0.89176%0.76SS**  trans-144.8148.3156.5-177.10000109
631S30.1Very low33.7Very low101 Ų101140.5 Ų140.571%0.70676%0.763SS**  trans-82.8147.2179.955.70000114.7
632V34.8Very low33.5Very low147 Ų147143.3 Ų143.389%0.89177%0.769SS**  trans-144.3157.5141.4171.90000109
633V30.8Very low33.5Very low119 Ų119145.4 Ų145.472%0.72178%0.778SS**  trans-99174.7-173.3174.90000111.5
634Q31.8Very low33.5Very low157 Ų157144.3 Ų144.373%0.73478%0.779SS**  trans77.8150166.4-100.6153.7-83.500116.1
635Q32.7Very low33.7Very low153 Ų153142.7 Ų142.772%0.71578%0.783SS**  cis-155.2154.7-0.9-154.6157.222.300109.6
636P33Very low33.7Very low120 Ų120145.8 Ų145.878%0.77979%0.793SS**  trans-88.6153.2-179.934.5-35.5000114.1
637I37.8Very low33.9Very low169 Ų169146.6 Ų146.687%0.86780%0.797SS**  trans-129142.9174.7-63-178.9000110.9
638I33.8Very low33.9Very low154 Ų154146.5 Ų146.579%0.7980%0.797SS**  trans-116144.1-174.7-60.5163.4000110
639S33.2Very low33.9Very low103 Ų103145.3 Ų145.372%0.7279%0.792SS**  trans152.2144.9141.6-71.30000110.5
640R35.9Very low33.8Very low233 Ų233144.9 Ų144.988%0.87979%0.792SS**  -156.1165.954.3-74.7173.9-179176.30.5111.8
641V29.8Very low33.7Very low119 Ų119143.4 Ų143.472%0.72178%0.778SS**  trans-123146.1179.5174.50000109.8M643V641-M643 HydrophobicContact CG1-CG 4.43Å
642F35.1Very low34.1Very low202 Ų202144.1 Ų144.189%0.88678%0.778SS**  trans-130.3153.2159.7-89.3-84.7000110.1
643M33.8Very low34.1Very low171 Ų171143.2 Ų143.284%0.84277%0.774SS**  trans-115.7166.5-167.4-71.4-112.966.800113.1V641V641-M643 HydrophobicContact CG1-CG 4.43Å
644A34.4Very low34.6Very low80 Ų80143.3 Ų143.366%0.66178%0.777SS**  trans-82.1-179.3-176.400000114
645P38.5Very low34.7Very low128 Ų128142.8 Ų142.883%0.83178%0.784SS**  -130.1172.912737.4-29.2000114.5
646N31.1Very low34.7Very low150 Ų150141.9 Ų141.980%0.80279%0.789SS**  trans-105.2162.2-171.6-53.7-63.3000113.6
647T38Very low35Very low140 Ų140144.9 Ų144.986%0.85979%0.789SS**  trans172.9172.4142.834.90000111.4
648T35.4Very low34.9Very low125 Ų125142.4 Ų142.477%0.76779%0.785SS**  -152.2116-58.1-70.80000112.3
649R32.4Very low34.9Very low215 Ų215141 Ų14181%0.81178%0.783SS**  trans29.4125.6145.7-158.4176.3-162.4-116.15.7124.9
650S33.4Very low35Very low109 Ų109141.8 Ų141.876%0.76278%0.777SS**  trans-163.1154.9156.761.30000109.4
651I31.9Very low34.8Very low116 Ų116135.1 Ų135.160%0.59577%0.765SS**  cis80.4130.9-1.8-50.3179.7000114.5
652T38.5Very low35.1Very low116 Ų116135.7 Ų135.771%0.71277%0.769SS**  cis-125.3139.627.131.30000113.3
653T34.4Very low35.3Very low129 Ų129131.1 Ų131.179%0.79176%0.76SS**  75.915084.758.70000118
654P41Very low35.4Very low121 Ų121130.7 Ų130.779%0.78676%0.755SS**  trans-122.8-172.7-142.945.6-35.9000116.8
655V34.5Very low35.3Very low146 Ų146131.4 Ų131.489%0.88576%0.755SS**  trans-164174.4147.9128.70000114
656T33.3Very low35.1Very low133 Ų133131 Ų13182%0.81675%0.751SS**  trans-88.2178.9-149.722.80000120.8
657K39.9Very low35.5Very low183 Ų183131 Ų13180%0.79675%0.75SS**  trans-87.5-179.2174.3-51.5173.1-1761730112.6
658P34.4Very low35.4Very low118 Ų118130.4 Ų130.477%0.76675%0.746SS**  -143.1-176.1100.638.8-24.5000116
659V34.8Very low35.4Very low123 Ų123129.5 Ų129.575%0.74575%0.745SS**  trans-143.1144.6-178.5172.80000110
660M33.6Very low35.6Very low121 Ų121125.4 Ų125.460%0.59674%0.744SS**  trans-147166.1162.4-79.2-147.881.700111.9Q411 Q412Q411-M660 HydrophobicContact CG-SD 4.19Å; Q412-M660 VanDerWaalsContact CD-SD 3.55Å; Q412-M660 HydrophobicContact CG-SD 3.98Å; Q412-M660 PolarHBondContact OE1-SD 3.4Å
661S31.8Very low35.7Very low92 Ų92125.4 Ų125.464%0.64374%0.744SS**  trans-161.8150.5-157.558.30000116.8
662V36.2Very low35.7Very low132 Ų132125 Ų12580%0.875%0.751SS**  trans70.5167.7147.2165.90000114.7
663P40Very low35.8Very low106 Ų106131.4 Ų131.469%0.68876%0.762SS**  cis-105.6-143-2.17.620.5000114.3
664H35.4Very low36.1Very low162 Ų162136.8 Ų136.875%0.7577%0.768SS**  cis-161.815812.6-137.5-67.5000113.7
665S33.2Very low36Very low94 Ų94142.7 Ų142.766%0.65778%0.775SS**  trans63.2151.6150.3-83.20000121.7
666T34.7Very low36.3Very low120 Ų120141.6 Ų141.674%0.73677%0.77SS**  cis-160.4-175.1-14.95.60000111.5
667L38.9Very low36.6Very low149 Ų149142.1 Ų142.178%0.7877%0.774SS**  trans82.3115.7170.5-54.9174.8000115.2
668T35.3Very low36.6Very low128 Ų128141.5 Ų141.579%0.78578%0.777SS**  72.4142.168.163.40000114.4
669S34.8Very low36.8Very low107 Ų107143.2 Ų143.275%0.74878%0.779SS**  cis-152.7171.513.4-150.10000116.1
670V38Very low36.9Very low129 Ų129146.5 Ų146.578%0.78278%0.783SS**  trans-23.1141.7160.8-176.90000115.1
671S35.2Very low37.1Very low109 Ų109151 Ų15176%0.76279%0.794SS**  -168.9167.565.4-157.90000116.2
672S31.9Very low37.2Very low107 Ų107152.6 Ų152.675%0.74880%0.8SS**  trans-151.4126.6169.2-1780000111.4
673R41Very low37.1Very low251 Ų251154.2 Ų154.295%0.94780%0.803SS**  trans-90.3150.4174.6-75.6-170.8174-160.4-0.7111.7
674R40.3Very low36.9Very low241 Ų241153.1 Ų153.191%0.90981%0.811SS**  trans-110159-167.8-56.8159.879.5-167.56.9111.4
675R39.5Very low36.7Very low246 Ų246151.3 Ų151.393%0.92881%0.811SS**  trans-127.2144.8147.2-90.2-170.1170.2-168.3-2.6109.6
676P39.1Very low36.8Very low122 Ų122153.7 Ų153.779%0.79282%0.822SS**  trans-95.4169.3-177.638-35.4000113
677T39.8Very low36.7Very low144 Ų144154.8 Ų154.888%0.88382%0.823SS**  trans-128.6144.1163.543.90000110.8
678I39.8Very low36.5Very low170 Ų170153.2 Ų153.287%0.87282%0.824SS**  trans-85.3142.8-171.9-60.9164.3000110.2
679L39.5Very low36.4Very low154 Ų154153 Ų15381%0.80682%0.823SS**  trans-118.3104.6-177.9-145.5151000110.3
680K37.6Very low36.4Very low192 Ų192153.8 Ų153.884%0.83582%0.824SS**  trans-73.9139.4170.7-70.7-173.7176.8-176.30110.4
681R37.3Very low36.2Very low215 Ų215150.7 Ų150.781%0.81181%0.808SS**  trans-176.2118.6130.5-103.6-175.6-56.6146.89.9112.5
682T34.3Very low36.2Very low126 Ų126152.2 Ų152.277%0.77381%0.807SS**  53.3135.8128.2-37.60000120.8
683L33.8Very low36.3Very low167 Ų167151 Ų15187%0.87480%0.799SS**  trans-57.8156-179.1-65.964.5000114.3
684G34.8Very low35.9Very low82 Ų82146.4 Ų146.485%0.84579%0.792SS**  trans178.590.7171.200000111.9
685T31.7Very low35.7Very low124 Ų124140.7 Ų140.776%0.76178%0.784SS**  trans-84.5131.6-168.2-41.40000114.1
686V35.4Very low35.5Very low144 Ų144134.6 Ų134.687%0.87377%0.774SS**  trans-164.4154.7141.8-102.10000110.8
687N33.1Very low35.3Very low143 Ų143133.7 Ų133.777%0.76577%0.771SS**  trans-108.2-166.9-167.9-64.7-11.9000113.6
688S34.3Very low34.9Very low116 Ų116135.6 Ų135.681%0.81176%0.762SS**  trans92.9105.7175.8-54.30000114
689T33.2Very low34.6Very low123 Ų123133.2 Ų133.276%0.75576%0.757SS**  cis90.7101.620.7-45.10000115.6
690T35.2Very low34.4Very low124 Ų124132.3 Ų132.376%0.76176%0.759SS**  trans-177.3134143.440.30000106.7
691S33.9Very low34.2Very low64 Ų64129 Ų12945%0.44875%0.754SS.*  cis123119.42.564.10000110.9
692N35.5Very low34.1Very low141 Ų141128.5 Ų128.575%0.75476%0.758SS**  trans147.9112159.6-78.1-8.9000107.9S204S204-N692 PolarHBondContact OG-N 3.4Å
693S32.8Very low34.3Very low82 Ų82130.5 Ų130.557%0.57376%0.759SS**  cis92.910635.1-168.30000114.1
694L33.3Very low34.4Very low154 Ų154128.7 Ų128.781%0.80676%0.755SS**  -172.3122.5125.9-110.676.3000105.6
695V35.3Very low34.3Very low121 Ų121129.8 Ų129.873%0.73375%0.75SS**  68.7121.278.1173.30000110.7
696T35.7Very low34.6Very low118 Ų118131.2 Ų131.272%0.72475%0.753SS**  cis-139.2160.844.351.60000116.8
697S35.7Very low34.7Very low104 Ų104131.5 Ų131.573%0.72775%0.749SS**  trans35.6110.1148.958.70000119.5
698R31.1Very low34.9Very low183 Ų183132.4 Ų132.469%0.69175%0.754SS**  cis75.6116.841.1-155.4-177.2-162.3158.28.9114.4D208D208-R698 IonicContact OD2-CZ 3.53Å; D208-R698 IonicContact OD2-NH1 3.07Å; D208-R698 PolarHBondContact OD2-NH1 2.82Å; D208-R698 IonicContact OD2-NH2 3.39Å; D208-R698 PolarHBondContact OD2-NH2 2.87Å; D208-R698 VanDerWaalsContact OD2-NH2 3.07Å
699P32.4Very low35.2Very low120 Ų120132.5 Ų132.578%0.77975%0.749SS**  trans-94.2174.6174.939.1-35.6000112.7
700T35.6Very low35.3Very low136 Ų136133.3 Ų133.383%0.83475%0.749SS**  trans-133.3134.517346.50000111.9
701V34Very low35.4Very low123 Ų123134.1 Ų134.175%0.74575%0.748SS**  trans-99.2158171.61750000108.4
702F35.6Very low35.2Very low204 Ų204136 Ų13690%0.89576%0.761SS**  trans-127.1138.5155.3-102.3-83.2000110.5
703E37.3Very low35.2Very low168 Ų168135.1 Ų135.179%0.78576%0.761SS**  trans-97.9173.4-179.5-59.9170.8115.700111.2
704T36.5Very low34.9Very low128 Ų128137.2 Ų137.279%0.78578%0.776SS**  trans130.889153.560.20000109.5
705S33Very low34.9Very low106 Ų106133.3 Ų133.374%0.74176%0.761SS**  8611368.3680000112.4
706D37.1Very low34.6Very low154 Ų154133.2 Ų133.282%0.82477%0.766SS**  trans-150.4169.3131.6-126.5-39.9000110.5
707N37.4Very low34.4Very low149 Ų149137.9 Ų137.980%0.79777%0.77SS**  trans-88.2138.7-155.6-62.5-95.6000114
708D38Very low34.2Very low162 Ų162140.7 Ų140.787%0.86678%0.777SS**  trans-152.5161.4135.8-134.5-27.1000113.4
709V40.6Very low34Very low118 Ų118139.6 Ų139.672%0.71578%0.783SS**  trans-77.3129.1-163.1175.70000113.6
710D35.1Very low34Very low141 Ų141137.9 Ų137.975%0.75478%0.775SS**  -172.4169.5103.8-135.8-30.7000114.9
711L37.2Very low33.7Very low140 Ų140137.5 Ų137.573%0.73377%0.772SS**  trans-72.4139.6-174.5-81.662.2000112.2
712S31Very low33.6Very low104 Ų104140.6 Ų140.673%0.72778%0.775SS**  53.7128.770.5-74.10000114.3
713T34Very low33.5Very low123 Ų123135.7 Ų135.776%0.75577%0.767SS**  cis-155.2154.12.124.40000110.6S715T713-S715 PolarHBondContact O-N 2.92Å
714S27.8Very low33.1Very low126 Ų126134.3 Ų134.388%0.88177%0.772SS**  trans-76118.1158.5-178.50000109.7
715S33.6Very low32.9Very low71 Ų71131.8 Ų131.850%0.49777%0.772SS.*  trans-133.191.1176.6-164.80000111.4T713 R717T713-S715 PolarHBondContact O-N 2.92Å; S715-R717 PolarHBondContact O-N 2.87Å; S715-R717 PolarHBondContact OG-NE 2.89Å
716S29.1Very low32.9Very low119 Ų119132.4 Ų132.483%0.83278%0.776SS**  trans-67.1121.6168.242.70000110.4
717R31.5Very low32.8Very low216 Ų216132.3 Ų132.382%0.81578%0.781SS**  trans-127.1142.9173.7-63-170.2-162.3175.26.7112.9S715S715-R717 PolarHBondContact O-N 2.87Å; S715-R717 PolarHBondContact OG-NE 2.89Å
718N31Very low32.7Very low163 Ų163128.5 Ų128.587%0.87278%0.777SS**PPolyproline II helixtrans-53.8148.4-168.3-60.4-45.7000115.5S720N718-S720 PolarHBondContact O-N 3.44Å
719I27Very low32.5Very low160 Ų160129.8 Ų129.882%0.82178%0.778SS**PPolyproline II helixtrans-65.2117.8159.5-60.2167.5000107.9V721I719-V721 HydrophobicContact CG2-CG2 4.41Å
720S31.8Very low32.2Very low85 Ų85131.1 Ų131.159%0.59478%0.78SS**PPolyproline II helixtrans-89.4136.4161.3-171.40000109.8N718 F722N718-S720 PolarHBondContact O-N 3.44Å; S720-F722 WeakPolarHBondContact OG-CD2 3.27Å; S720-F722 WeakPolarHBondContact OG-CE2 3.44Å
721V28.3Very low31.9Very low127 Ų127134 Ų13477%0.7779%0.789SS**  trans-103101.6171.1178.40000107.3I719I719-V721 HydrophobicContact CG2-CG2 4.41Å
722F32.8Very low31.8Very low188 Ų188135.6 Ų135.683%0.82579%0.79SS**  trans-89.1125174.7-94.8-77000111.6S720S720-F722 WeakPolarHBondContact OG-CD2 3.27Å; S720-F722 WeakPolarHBondContact OG-CE2 3.44Å
723S33.7Very low31.7Very low102 Ų102136.3 Ų136.371%0.71379%0.792SS**  trans-76.5144.8176.5-58.60000111.3G725S723-G725 PolarHBondContact O-N 3.27Å
724P29.5Very low31.8Very low138 Ų138137 Ų13790%0.89680%0.796SS**SBendtrans-73.8115.917030.4-32.3000109.9
725G30.8Very low31.8Very low76 Ų76135.7 Ų135.778%0.78479%0.787SS**  trans155.869.1174.100000116.5S723S723-G725 PolarHBondContact O-N 3.27Å
726S34.5Very low31.5Very low119 Ų119137.5 Ų137.583%0.83280%0.8SS**  trans-152.589.3161.459.20000111
727T34.4Very low31.6Very low152 Ų152138.8 Ų138.893%0.93380%0.796SS**  trans-76.1124.8168.647.40000110.1
728G34.7Very low31.4Very low69 Ų69134 Ų13471%0.71179%0.79SS**  trans-170.1129174.200000112.3
729Q35.1Very low31.5Very low189 Ų189131.3 Ų131.388%0.88378%0.78SS**  trans60.2111-175.9-55.8-172.6-0.100113.6
730L33.9Very low31.7Very low145 Ų145131.9 Ų131.976%0.75978%0.78SS**  cis63.186.538.3-56.8170.4000114.5
731Q29.3Very low31.7Very low202 Ų202135.5 Ų135.594%0.94479%0.787SS**  -108.1144.7125.8-76.4-173.7-17.500108.6
732K33.5Very low31.8Very low173 Ų173134.6 Ų134.675%0.75279%0.786SS**  trans-105.6157.9178.3-82.8-176.8175.4-179.30109.6
733P30Very low31.8Very low119 Ų119129.1 Ų129.177%0.77378%0.783SS**  trans-65.8152.517230.1-36.2000111.5
734V35.1Very low31.6Very low138 Ų138130.7 Ų130.784%0.83679%0.79SS**  trans-101.8142.2168.1177.70000108.9
735S27.3Very low31.8Very low98 Ų98130 Ų13069%0.68579%0.789SS**  trans-143.7163.7174.6-56.40000108.2
736S29.1Very low31.7Very low109 Ų109129.5 Ų129.576%0.76278%0.784SS**  trans69.4153.3-167.379.20000113
737I30.3Very low31.5Very low147 Ų147130.9 Ų130.975%0.75478%0.782SS**  cis-125.3167.521.1-71.3176.2000112.4
738T27.8Very low31.2Very low114 Ų114131.1 Ų131.170%0.69978%0.777SS**  trans-41.2164.9-179.260.20000116.7
739T31.8Very low30.8Very low107 Ų107133 Ų13366%0.65677%0.774SS**  -163.2133.756.8-65.80000114.1
740E31.2Very low30.6Very low173 Ų173130.8 Ų130.881%0.80877%0.769SS**  trans34.7152.3147.9-61.9163.9-122.600121
741E32.1Very low30.6Very low161 Ų161130.1 Ų130.175%0.75277%0.771SS**  cis-154.1166.323.9-150.8-151.7114.900113.1
742S31.5Very low30.6Very low107 Ų107125.4 Ų125.475%0.74876%0.76SS**  trans33.5130.5154-69.10000124.3
743G31.9Very low30.3Very low73 Ų73122 Ų12275%0.75375%0.754SS**  trans147.399.3150.800000117.8
744P30.2Very low30.2Very low135 Ų135126.5 Ų126.588%0.87776%0.761SS**  trans-11092.8-175.537.5-29.8000116.1
745S32.3Very low29.9Very low125 Ų125126.3 Ų126.387%0.87476%0.755SS**  trans-175.6148.1159.255.60000109.9
746G29.3Very low30Very low65 Ų65127.4 Ų127.467%0.6775%0.753SS**  cis155.6127.5-2.800000110.1
747N30.3Very low29.9Very low148 Ų148130.7 Ų130.779%0.79176%0.756SS**  trans70.6116.8178.6-60.2-17.9000115.4
748L27.4Very low29.9Very low157 Ų157130 Ų13082%0.82275%0.753SS**  73.9130.181.5-69.2166.1000112.4
749T26.6Very low29.8Very low108 Ų108129.7 Ų129.766%0.66375%0.751SS**  cis-142.6-167.58.654.50000112.6
750N30.5Very low29.6Very low143 Ų143129.8 Ų129.877%0.76575%0.751SS**  trans86.3139.7165.6-54.2-8.1000115.7
751T34.3Very low29.4Very low131 Ų131125.3 Ų125.380%0.80474%0.739SS**  cis-149.8156.4-0.470000111.9
752S29Very low29.1Very low103 Ų103123.4 Ų123.472%0.7274%0.739SS**  trans28.5125.9155.5-167.30000121.3
753T28.5Very low28.9Very low102 Ų102123.8 Ų123.863%0.62674%0.737SS**  cis-152.8112.2-5.512.50000110.2L755T753-L755 VanDerWaalsContact C-N 3.29Å; T753-L755 HydrophobicContact CG2-CD1 3.97Å; T753-L755 HydrophobicContact CG2-CG 3.83Å; T753-L755 PolarHBondContact O-N 3.29Å
754K27.5Very low28.6Very low212 Ų212127.5 Ų127.592%0.92275%0.745SS**  trans-85.172.6160.4-78.7-173.8177.4176.60109.7L756K754-L756 PolarHBondContact O-N 2.92Å
755L28.8Very low28.6Very low135 Ų135125.8 Ų125.871%0.70774%0.736SS**  trans-74.692.6177.2-81.5170000111.3T753T753-L755 VanDerWaalsContact C-N 3.29Å; T753-L755 HydrophobicContact CG2-CD1 3.97Å; T753-L755 HydrophobicContact CG2-CG 3.83Å; T753-L755 PolarHBondContact O-N 3.29Å
756L29.8Very low28.4Very low121 Ų121126.7 Ų126.763%0.63474%0.737SS**  trans36.7100.1136.4-55169.8000114.3K754 L758K754-L756 PolarHBondContact O-N 2.92Å; L756-L758 HydrophobicContact CB-CD1 3.86Å; L756-L758 HydrophobicContact CD1-CD1 4.06Å; L756-L758 HydrophobicContact CD2-CD1 3.93Å; L756-L758 HydrophobicContact CG-CD1 4.16Å; L756-L758 PolarHBondContact O-N 3Å
757Q27.5Very low28.6Very low177 Ų177128.2 Ų128.283%0.82774%0.737SS**  26.14456.5-157.1161.6-10.800115.3V759Q757-V759 HydrophobicContact CG-CG2 3.95Å; Q757-V759 WeakPolarHBondContact O-CG2 3.25Å
758L28.5Very low28.7Very low133 Ų133129.3 Ų129.370%0.69674%0.743SS**  trans-95.4111.7136.6-95.771.3000105.8L756L756-L758 HydrophobicContact CB-CD1 3.86Å; L756-L758 HydrophobicContact CD1-CD1 4.06Å; L756-L758 HydrophobicContact CD2-CD1 3.93Å; L756-L758 HydrophobicContact CG-CD1 4.16Å; L756-L758 PolarHBondContact O-N 3Å
759V26.9Very low29.1Very low108 Ų108132.5 Ų132.566%0.65574%0.744SS**  cis56.478.547.9-1670000111.4Q757Q757-V759 HydrophobicContact CG-CG2 3.95Å; Q757-V759 WeakPolarHBondContact O-CG2 3.25Å
760T28.1Very low29.8Very low108 Ų108135.2 Ų135.266%0.66375%0.754SS**  trans-119.594.6141.212.60000108.6
761S27Very low30.5Very low79 Ų79132.6 Ų132.655%0.55274%0.739SS**  trans44.597.9161.758.90000118.3
762T25.1Very low31.5Very low122 Ų122131.4 Ų131.475%0.74873%0.734SS**  39.7129.5121.9600000118.9
763T26.5Very low32.7Very low114 Ų114133 Ų13370%0.69973%0.734SS**  cis-146.3128.44043.90000112.9S765T763-S765 VanDerWaalsContact C-N 3.27Å; T763-S765 PolarHBondContact O-N 2.81Å
764T25.8Very low34.2Very low151 Ų151131 Ų13193%0.92672%0.718SS**  trans-74.280156.933.30000109.5
765S30.9Very low36.3Very low99 Ų99124.1 Ų124.169%0.69269%0.694SS**  trans-98.3107.2167.344.10000109.7T763 S767T763-S765 VanDerWaalsContact C-N 3.27Å; T763-S765 PolarHBondContact O-N 2.81Å; S765-S767 PolarHBondContact O-N 3.34Å
766T28.2Very low37.7Very low145 Ų145121.2 Ų121.289%0.8969%0.689SS**  trans-71112.9179.236.80000111.4
767S34.4Very low39.1Very low96 Ų96117.9 Ų117.967%0.67168%0.676SS**  trans174.2116.9144-172.70000110.5S765 R769S765-S767 PolarHBondContact O-N 3.34Å; S767-R769 VanDerWaalsContact C-N 3.35Å; S767-R769 PolarHBondContact O-N 3.1Å
768D31.5Very low40.7Very low172 Ų172110.8 Ų110.892%0.9264%0.644SS**  trans-71.287.8168.2-80.6-66.8000111.3
769R36.4Very low42.5Very low223 Ų223112.2 Ų112.284%0.84264%0.64SS**  trans-126.999.8162.2-73.4-166.1165.2-168.4-4.4110.5S767 N771S767-R769 VanDerWaalsContact C-N 3.35Å; S767-R769 PolarHBondContact O-N 3.1Å; R769-N771 PolarHBondContact O-N 3.23Å
770L41.6Very low44.6Very low166 Ų166113.4 Ų113.487%0.86964%0.642SS**  trans-45.9107.9178.9-68.9165.5000111.8P772L770-P772 VanDerWaalsContact O-CD 3.31Å; L770-P772 WeakPolarHBondContact O-CD 3.39Å
771N44.4Very low46.6Very low87 Ų87115.9 Ų115.947%0.46564%0.644SS.*  trans-76.3114.7172.7-174.4-26.8000109.1R769 N773 Q774R769-N771 PolarHBondContact O-N 3.23Å; N771-N773 PolarHBondContact O-N 3.2Å; N771-N773 WeakPolarHBondContact OD1-CB 3.01Å; N771-N773 PolarHBondContact OD1-N 2.86Å; N771-N773 VanDerWaalsContact OD1-N 3.07Å; N771-N773 PolarHBondContact OD1-ND2 2.81Å; N771-N773 VanDerWaalsContact OD1-ND2 3.08Å; N771-Q774 PolarHBondContact O-N 3.43Å
772P54.7Low48.2Very low106 Ų106113.9 Ų113.969%0.68864%0.636SS**THydrogen-bonded Turntrans-65.3-15.7-173.926.7-35.2000113.5L770L770-P772 VanDerWaalsContact O-CD 3.31Å; L770-P772 WeakPolarHBondContact O-CD 3.39Å
773N55.6Low49.3Very low136 Ų136116.1 Ų116.173%0.72764%0.635SS**THydrogen-bonded Turntrans-87.8-0.8-174.5-55.2-70.5000114.6N771 T775N771-N773 PolarHBondContact O-N 3.2Å; N771-N773 WeakPolarHBondContact OD1-CB 3.01Å; N771-N773 PolarHBondContact OD1-N 2.86Å; N771-N773 VanDerWaalsContact OD1-N 3.07Å; N771-N773 PolarHBondContact OD1-ND2 2.81Å; N771-N773 VanDerWaalsContact OD1-ND2 3.08Å; N773-T775 PolarHBondContact O-N 2.92Å
774Q59.1Low50.5Low61 Ų61118.7 Ų118.729%0.28563%0.632SS.*  trans-69.5124.8174.3-77.1-173.6-65.200111.6N771 D778 R779N771-Q774 PolarHBondContact O-N 3.43Å; Q774-D778 HydrophobicContact CB-CB 4.17Å; Q774-D778 HydrophobicContact CG-CB 4.29Å; Q774-R779 HydrophobicContact CB-CG 4.19Å; Q774-R779 PolarHBondContact O-NE 3.41Å; Q774-R779 PolarHBondContact O-NH2 3.5Å
775T72.2Confident51.7Low68 Ų68118.6 Ų118.642%0.41763%0.625SS.*  trans-66.5161.9173.670.60000111.1N773 S777 D778 R779N773-T775 PolarHBondContact O-N 2.92Å; T775-S777 PolarHBondContact O-N 3.33Å; T775-S777 PolarHBondContact OG1-N 3.39Å; T775-S777 PolarHBondContact OG1-OG 3.43Å; T775-D778 VanDerWaalsContact CB-OD2 3.28Å; T775-D778 WeakPolarHBondContact CB-OD2 3.42Å; T775-D778 WeakPolarHBondContact CG2-OD2 3.36Å; T775-D778 PolarHBondContact N-OD2 3.12Å; T775-D778 PolarHBondContact O-N 3.32Å; T775-D778 PolarHBondContact OG1-N 3.39Å; T775-D778 PolarHBondContact OG1-OD2 3.12Å; T775-R779 WeakPolarHBondContact O-CG 3.43Å; T775-R779 PolarHBondContact O-N 2.74Å
776A57.2Low52.5Low74 Ų74121.4 Ų121.461%0.61263%0.63SS**Hα-helixtrans-57-32.9174.400000112.3R779 L780A776-R779 PolarHBondContact O-N 3.46Å; A776-L780 WeakPolarHBondContact O-CD1 3.38Å; A776-L780 PolarHBondContact O-N 2.88Å
777S58.6Low53.3Low50 Ų50116.9 Ų116.935%0.3561%0.608SS.*Hα-helixtrans-65.9-39.9172.625.90000113.5T775 R779 L780 F781T775-S777 PolarHBondContact O-N 3.33Å; T775-S777 PolarHBondContact OG1-N 3.39Å; T775-S777 PolarHBondContact OG1-OG 3.43Å; S777-R779 PolarHBondContact O-N 2.97Å; S777-L780 PolarHBondContact O-N 3.44Å; S777-F781 WeakPolarHBondContact O-CB 3.42Å; S777-F781 WeakPolarHBondContact O-CD2 3.43Å; S777-F781 PolarHBondContact O-N 2.89Å
778D61.1Low53.4Low29 Ų29122.3 Ų122.316%0.15562%0.615CS.*Hα-helixtrans-69.6-22.7178.2-51.3-52.5000112.1Q774 T775 G782Q774-D778 HydrophobicContact CB-CB 4.17Å; Q774-D778 HydrophobicContact CG-CB 4.29Å; T775-D778 VanDerWaalsContact CB-OD2 3.28Å; T775-D778 WeakPolarHBondContact CB-OD2 3.42Å; T775-D778 WeakPolarHBondContact CG2-OD2 3.36Å; T775-D778 PolarHBondContact N-OD2 3.12Å; T775-D778 PolarHBondContact O-N 3.32Å; T775-D778 PolarHBondContact OG1-N 3.39Å; T775-D778 PolarHBondContact OG1-OD2 3.12Å; D778-G782 CarbonylContact O-C 3.52Å; D778-G782 VanDerWaalsContact O-CA 3.29Å; D778-G782 WeakPolarHBondContact O-CA 3.14Å; D778-G782 PolarHBondContact O-N 2.89Å
779R68.2Low53.6Low163 Ų163119.1 Ų119.162%0.61560%0.598SS**Hα-helixtrans-83.4-31.3174.4-60.8-179.6-163.8-157.50.7113.1Q774 T775 A776 S777Q774-R779 HydrophobicContact CB-CG 4.19Å; Q774-R779 PolarHBondContact O-NE 3.41Å; Q774-R779 PolarHBondContact O-NH2 3.5Å; T775-R779 WeakPolarHBondContact O-CG 3.43Å; T775-R779 PolarHBondContact O-N 2.74Å; A776-R779 PolarHBondContact O-N 3.46Å; S777-R779 PolarHBondContact O-N 2.97Å
780L70.4Confident53.6Low132 Ų132119.7 Ų119.769%0.69160%0.6SS**Hα-helixtrans-85.3-33176.6-97.983.3000113.9A776 S777A776-L780 WeakPolarHBondContact O-CD1 3.38Å; A776-L780 PolarHBondContact O-N 2.88Å; S777-L780 PolarHBondContact O-N 3.44Å
781F70.5Confident53.1Low160 Ų160119.8 Ų119.870%0.70260%0.602SS**SBendtrans-121.48.1-169.3-53-65.9000113.6S777S777-F781 WeakPolarHBondContact O-CB 3.42Å; S777-F781 WeakPolarHBondContact O-CD2 3.43Å; S777-F781 PolarHBondContact O-N 2.89Å
782G59.1Low52.6Low37 Ų37118.1 Ų118.138%0.38160%0.6SS.*  trans70.5177.5-174.500000113.7D778 R784D778-G782 CarbonylContact O-C 3.52Å; D778-G782 VanDerWaalsContact O-CA 3.29Å; D778-G782 WeakPolarHBondContact O-CA 3.14Å; D778-G782 PolarHBondContact O-N 2.89Å; G782-R784 PolarHBondContact O-N 2.94Å
783K49.9Very low51.3Low169 Ų169118.7 Ų118.774%0.73561%0.606SS**  trans-72.4118.6173.8-65.8174.4-176.9168.20109.2L785K783-L785 PolarHBondContact O-N 3.31Å
784R51.6Low50.3Low169 Ų169120.1 Ų120.164%0.63861%0.609SS**  trans-67.1103.3172.5-59.4-175.3-155.2166.48.2110.3G782 I786 A787G782-R784 PolarHBondContact O-N 2.94Å; R784-I786 PolarHBondContact O-N 3.12Å; R784-A787 HydrophobicContact CB-CB 3.62Å; R784-A787 HydrophobicContact CG-CB 4.39Å; R784-A787 PolarHBondContact O-N 2.95Å
785L51Low49Very low148 Ų148122.8 Ų122.878%0.77563%0.629SS**THydrogen-bonded Turntrans-55-22.6-178.8-133.976.7000114.4K783K783-L785 PolarHBondContact O-N 3.31Å
786I48Very low47.1Very low158 Ų158125.4 Ų125.481%0.8165%0.647SS**THydrogen-bonded Turntrans-109.2-10.1-168.6-50.6178.2000112.3R784 Y788R784-I786 PolarHBondContact O-N 3.12Å; I786-Y788 PolarHBondContact O-N 3.43Å
787A43.3Very low45.8Very low51 Ų51129 Ų12942%0.42166%0.656SS.*THydrogen-bonded Turntrans-84.7-10.5-169.700000115.5R784R784-A787 HydrophobicContact CB-CB 3.62Å; R784-A787 HydrophobicContact CG-CB 4.39Å; R784-A787 PolarHBondContact O-N 2.95Å
788Y37.7Very low44.5Very low210 Ų210133.6 Ų133.682%0.82468%0.677SS**THydrogen-bonded Turntrans-126.134.8-176.4-70.9-74.6000113.1I786I786-Y788 PolarHBondContact O-N 3.43Å
789N34.2Very low43Very low105 Ų105137.3 Ų137.356%0.56171%0.712SS**  trans-142.469.9167-151.6-11.5000113.6
790R37.2Very low41.4Very low235 Ų235135.4 Ų135.489%0.88772%0.718SS**SBendtrans-108.5131.8144.6-75.8-173.7176.9-178.5-0.8106.8
791N31.5Very low39.6Very low167 Ų167133.9 Ų133.989%0.89372%0.718SS**SBendtrans74.146.1174.7-46.5-0.8000116.1
792A33.6Very low37.7Very low53 Ų53130.9 Ų130.944%0.43872%0.717SS.*  trans-137.6106.2159.100000111.1H794A792-H794 PolarHBondContact O-N 3.05Å; A792-H794 VanDerWaalsContact O-N 3.12Å
793S27.8Very low36.4Very low117 Ų117133.8 Ų133.882%0.81873%0.728SS**  trans-83.280.8-17955.10000111.7
794H35.1Very low35.6Very low167 Ų167129.4 Ų129.477%0.77372%0.715SS**  trans-127.4112.8168.9-70-62.9000110.6A792A792-H794 PolarHBondContact O-N 3.05Å; A792-H794 VanDerWaalsContact O-N 3.12Å
795T30.1Very low34.9Very low117 Ų117125 Ų12572%0.71870%0.702SS**  trans-65135.2168.6380000110.1N797T795-N797 PolarHBondContact O-N 2.68Å; T795-N797 VanDerWaalsContact O-N 3.12Å
796P32.4Very low34.1Very low123 Ų123122.8 Ų122.880%0.79969%0.691SS**  trans-75.899.3172.130.7-31.8000109.1N798P796-N798 PolarHBondContact O-N 3.22Å
797N30.7Very low33.5Very low150 Ų150120.3 Ų120.380%0.80269%0.688SS**  trans-71.5128.6172.5-85.112000110.3T795T795-N797 PolarHBondContact O-N 2.68Å; T795-N797 VanDerWaalsContact O-N 3.12Å
798N31Very low32.9Very low145 Ų145121.1 Ų121.178%0.77570%0.701SS**  trans-63.4149.3174.2-72.4-32.3000111.8P796 V800P796-N798 PolarHBondContact O-N 3.22Å; N798-V800 HydrophobicContact CB-CG2 4.26Å
799A29.7Very low32.8Very low108 Ų108118.3 Ų118.389%0.89371%0.706SS**  trans-111.768.3155.700000108.7
800V35.5Very low32.7Very low123 Ų123119.3 Ų119.375%0.74572%0.716SS**  trans-83118.1161.9172.90000106.3N798N798-V800 HydrophobicContact CB-CG2 4.26Å
801S32.2Very low32.6Very low100 Ų100114.5 Ų114.570%0.69970%0.703SS**  trans-71140171.5-58.80000110.2
802S29.6Very low32.6Very low97 Ų97114.3 Ų114.368%0.67870%0.697SS**  trans31.9125.5146.756.90000118.7
803T31.5Very low32.6Very low97 Ų97120 Ų12060%0.59571%0.714SS**  cis-165.712722.5-5.90000111.5V540V540-T803 HydrophobicContact CG2-CG2 4.41Å
804T34Very low32.5Very low78 Ų78119.8 Ų119.848%0.47971%0.713SS.*  111.2121.5117.22.10000117.5V540V540-T804 HydrophobicContact CB-CG2 3.78Å; V540-T804 WeakPolarHBondContact CG1-O 3.36Å; V540-T804 HydrophobicContact CG2-CG2 3.33Å
805Q36.4Very low32.2Very low76 Ų76117.2 Ų117.236%0.35571%0.71SS.*  trans22.8144.4142.4-70.2119.1-143.700121.8V540 L541 S542V540-Q805 PolarHBondContact O-NE2 2.83Å; L541-Q805 WeakPolarHBondContact O-CB 3.34Å; L541-Q805 VanDerWaalsContact O-CG 3.25Å; L541-Q805 WeakPolarHBondContact O-CG 3.38Å; L541-Q805 PolarHBondContact O-NE2 2.85Å; S542-Q805 PolarHBondContact OG-NE2 3.15Å; S542-Q805 PolarHBondContact OG-OE1 3.3Å
806N34.2Very low32Very low101 Ų101115 Ų11554%0.5470%0.704SS.*  cis-148.5133.415.3-116.2-9.5000109.6
807S34.9Very low31.8Very low107 Ų107115.2 Ų115.275%0.74871%0.705SS**  66.3106.288.7-55.50000114.9
808G32.4Very low31.6Very low67 Ų67113.5 Ų113.569%0.69170%0.701SS**  trans174.179.1174.400000118.9
809T33.7Very low31.4Very low152 Ų152114.4 Ų114.493%0.93371%0.705SS**  trans68.1161.2161.471.10000119.3
810T33.5Very low31.2Very low126 Ų126114.2 Ų114.277%0.77369%0.694SS**  trans-124.3124.7-159.8-430000111
811H34.4Very low30.8Very low133 Ų133112.3 Ų112.362%0.61669%0.686SS**  trans-128.6118.4169.7-135.6-83.9000111.1S555 Q813S555-H811 PolarHBondContact N-NE2 2.78Å; H811-Q813 PolarHBondContact O-N 3.12Å; H811-Q813 VanDerWaalsContact O-N 3.13Å
812H31.4Very low30.6Very low164 Ų164113.8 Ų113.876%0.75968%0.684SS**  trans-70.7106.2175.2-83.3-90.2000110
813Q33.5Very low30.5Very low173 Ų173112.9 Ų112.981%0.80867%0.672SS**  trans-116.5132.6148.2-73.9-170.4-7.300108.2H811 P815H811-Q813 PolarHBondContact O-N 3.12Å; H811-Q813 VanDerWaalsContact O-N 3.13Å; Q813-P815 WeakPolarHBondContact O-CD 3.39Å
814S25.4Very low30.6Very low112 Ų112112.1 Ų112.178%0.78367%0.667SS**PPolyproline II helixtrans-65.1123.3171.4-176.30000107.9A816S814-A816 PolarHBondContact O-N 3.5Å
815P30.3Very low30.8Very low112 Ų112112.3 Ų112.373%0.72768%0.677SS**PPolyproline II helixtrans-59.1119.5159.226.7-31.1000106.3Q813Q813-P815 WeakPolarHBondContact O-CD 3.39Å
816A25.3Very low31Very low72 Ų72110.5 Ų110.560%0.59567%0.671SS**PPolyproline II helixtrans-55.1153.916700000108.5S814 T818S814-A816 PolarHBondContact O-N 3.5Å; A816-T818 PolarHBondContact O-N 2.87Å
817P28.1Very low31.4Very low126 Ų126110.8 Ų110.882%0.81868%0.678SS**  trans-65.985.5176.428.2-34.9000109.8N819P817-N819 PolarHBondContact O-N 2.74Å; P817-N819 VanDerWaalsContact O-N 3.15Å
818T27.6Very low31.8Very low114 Ų114112.7 Ų112.770%0.69967%0.67SS**  trans-57.8119.3171.323.90000107.2A816 T820A816-T818 PolarHBondContact O-N 2.87Å; T818-T820 PolarHBondContact O-N 2.6Å; T818-T820 PolarHBondContact O-OG1 2.92Å
819N25.1Very low32.6Very low164 Ų164114.4 Ų114.488%0.87766%0.656SS**  trans-71.865.8176-89.1-56.9000109.9P817 S821P817-N819 PolarHBondContact O-N 2.74Å; P817-N819 VanDerWaalsContact O-N 3.15Å; N819-S821 PolarHBondContact O-N 3.21Å
820T26.4Very low33.3Very low105 Ų105115.5 Ų115.564%0.64464%0.644SS**  trans-66.688.7170-510000106.8T818 I822T818-T820 PolarHBondContact O-N 2.6Å; T818-T820 PolarHBondContact O-OG1 2.92Å; T820-I822 HydrophobicContact CG2-CG1 4.2Å; T820-I822 WeakPolarHBondContact O-CG1 3.39Å; T820-I822 PolarHBondContact O-N 3.23Å
821S26.5Very low33.9Very low83 Ų83111.7 Ų111.758%0.5863%0.626SS**  trans-68.780.3176.6530000109.1N819 N823N819-S821 PolarHBondContact O-N 3.21Å; S821-N823 VanDerWaalsContact C-N 3.33Å; S821-N823 PolarHBondContact O-N 3.03Å
822I28Very low34.8Very low130 Ų130109.2 Ų109.267%0.66762%0.62SS**  trans-6499176.1-44-177.8000106.8T820 T824T820-I822 HydrophobicContact CG2-CG1 4.2Å; T820-I822 WeakPolarHBondContact O-CG1 3.39Å; T820-I822 PolarHBondContact O-N 3.23Å; I822-T824 HydrophobicContact CG2-CG2 3.96Å; I822-T824 PolarHBondContact O-N 3.34Å; I822-T824 PolarHBondContact O-OG1 2.99Å
823N28.3Very low36Very low79 Ų79104.8 Ų104.842%0.42260%0.604SS.*  trans-7756.4-170.4-153.2-18.4000111.2S821 A825 Q935S821-N823 VanDerWaalsContact C-N 3.33Å; S821-N823 PolarHBondContact O-N 3.03Å; N823-A825 PolarHBondContact O-N 2.79Å; N823-Q935 PolarHBondContact ND2-OE1 3.08Å
824T33.4Very low37.1Very low81 Ų81105.6 Ų105.650%0.49760%0.6SS.*  trans-72.694172.3480000108.2I822 T826I822-T824 HydrophobicContact CG2-CG2 3.96Å; I822-T824 PolarHBondContact O-N 3.34Å; I822-T824 PolarHBondContact O-OG1 2.99Å; T824-T826 PolarHBondContact O-N 3Å
825A38Very low38.5Very low82 Ų82101 Ų10168%0.67857%0.57SS**  trans-57.396.3174.100000110.1N823N823-A825 PolarHBondContact O-N 2.79Å
826T41.6Very low39.3Very low37 Ų37102.1 Ų102.123%0.22758%0.58CS.*  trans-67.8121179.352.80000108.7T824 Y828T824-T826 PolarHBondContact O-N 3Å; T826-Y828 PolarHBondContact O-N 2.83Å
827P42.3Very low40.6Very low108 Ų108103.8 Ų103.870%0.70159%0.594SS**  trans-63.5115.5-170.523.8-33.9000110.8R829 P848P827-R829 PolarHBondContact O-N 3.42Å; P827-P848 WeakPolarHBondContact O-CD 3.47Å; P827-P848 WeakPolarHBondContact O-CG 3.09Å
828Y43.7Very low42Very low146 Ų146100.7 Ų100.757%0.57357%0.571SS**  trans-55.3127178.1-72-90.9000110.4T826 Y830 I845 S846T826-Y828 PolarHBondContact O-N 2.83Å; Y828-Y830 PolarHBondContact O-N 2.54Å; Y828-I845 HydrophobicContact CD1-CG2 3.96Å; Y828-I845 HydrophobicContact CG-CG2 4.25Å; Y828-S846 CarbonylContact C-O 3.38Å; Y828-S846 WeakPolarHBondContact CA-O 3.22Å
829R48.5Very low43.4Very low103 Ų10397 Ų9739%0.38955%0.554SS.*EExtended strand (participates in β ladder)trans-82.7111.7172-70.1-173.4-172.1167.511.9108P827 S846 P848 V851 D852P827-R829 PolarHBondContact O-N 3.42Å; R829-S846 PolarHBondContact N-O 3.43Å; R829-S846 PolarHBondContact O-N 3.07Å; R829-S846 PolarHBondContact O-OG 2.89Å; R829-P848 HydrophobicContact CG-CB 4.2Å; R829-V851 HydrophobicContact CB-CG2 4.48Å; R829-V851 VanDerWaalsContact NH1-CG1 3.32Å; R829-D852 IonicContact CZ-OD1 3.57Å; R829-D852 IonicContact CZ-OD2 2.6Å; R829-D852 IonicContact NH1-OD1 3.59Å; R829-D852 PolarHBondContact NH1-OD1 3.38Å; R829-D852 IonicContact NH1-OD2 3.07Å; R829-D852 IonicContact NH2-OD1 2.73Å; R829-D852 PolarHBondContact NH2-OD1 2.67Å; R829-D852 IonicContact NH2-OD2 2.68Å; R829-D852 PolarHBondContact NH2-OD2 2.84Å
830Y47.3Very low44.9Very low175 Ų17592.7 Ų92.769%0.68653%0.528SS*.EExtended strand (participates in β ladder)trans-94.2143.8167.372.4-85.6000110.5Y828 L844Y828-Y830 PolarHBondContact O-N 2.54Å; Y830-L844 CarbonylContact C-O 3.57Å; Y830-L844 VanDerWaalsContact CA-O 3.25Å; Y830-L844 WeakPolarHBondContact CA-O 3.23Å
831A48Very low46.2Very low47 Ų4792.1 Ų92.139%0.38852%0.518SS..EExtended strand (participates in β ladder)trans-135.7129.5174.100000110.1V833 L844A831-V833 PolarHBondContact O-N 3.09Å; A831-L844 PolarHBondContact N-O 2.64Å; A831-L844 PolarHBondContact O-N 3.45Å
832V52.3Low47.5Very low81 Ų8189.5 Ų89.549%0.49150%0.496SS..EExtended strand (participates in β ladder)trans-88105.7175.6-1740000109.2Q841 Y842V832-Q841 HydrophobicContact CG1-CB 4.14Å; V832-Q841 HydrophobicContact CG1-CG 4.48Å; V832-Y842 CarbonylContact C-O 3.46Å; V832-Y842 WeakPolarHBondContact CA-O 3.49Å
833V57.4Low48.7Very low71 Ų7184.5 Ų84.543%0.4347%0.471SS..EExtended strand (participates in β ladder)trans-96129.6177.8-174.80000108.9A831 Y842 L844A831-V833 PolarHBondContact O-N 3.09Å; V833-Y842 PolarHBondContact N-O 3.08Å; V833-Y842 PolarHBondContact O-N 3.43Å; V833-L844 HydrophobicContact CG2-CB 4.5Å
834R55.1Low49.9Very low190 Ų19083.6 Ų83.672%0.71747%0.466SS*.EExtended strand (participates in β ladder)trans-88.5122.5172.4-167.7176.7-171.4177.21.4110.2S836 G839 K840R834-S836 PolarHBondContact O-N 2.99Å; R834-G839 PolarHBondContact NE-O 3.08Å; R834-G839 VanDerWaalsContact NE-O 3.14Å; R834-K840 CarbonylContact C-O 3.49Å; R834-K840 WeakPolarHBondContact CA-O 3.16Å
835G55.5Low51.1Low15 Ų1580.6 Ų80.616%0.15545%0.447CS..PPolyproline II helixtrans-59.3126.1175.300000111.2D838 G839 K840G835-D838 WeakPolarHBondContact CA-OD1 3.32Å; G835-G839 WeakPolarHBondContact O-CA 3.28Å; G835-G839 PolarHBondContact O-N 3.1Å; G835-G839 VanDerWaalsContact O-N 3.1Å; G835-K840 PolarHBondContact N-O 3.29Å
836S48Very low51.4Low135 Ų13577.5 Ų77.594%0.94442%0.42SS*.THydrogen-bonded Turntrans-76.9-20.1-172.653.30000114.1R834R834-S836 PolarHBondContact O-N 2.99Å
837A51.7Low51.6Low107 Ų10777.8 Ų77.888%0.88442%0.42SS*.THydrogen-bonded Turntrans-104-36.5-179.500000113.4
838D57.9Low51.7Low62 Ų6273.6 Ų73.633%0.33239%0.393SS..THydrogen-bonded Turntrans-106.4-7.8-174.671.5-11.5000114.1G835 K840 Y842G835-D838 WeakPolarHBondContact CA-OD1 3.32Å; D838-K840 HydrophobicContact CB-CD 4.46Å; D838-K840 HydrophobicContact CB-CG 4.12Å; D838-K840 PolarHBondContact O-N 3.31Å; D838-K840 VanDerWaalsContact O-N 3.15Å; D838-K840 PolarHBondContact OD1-N 3.18Å; D838-K840 VanDerWaalsContact OD1-N 3.12Å; D838-K840 WeakPolarHBondContact OD2-CD 3.3Å; D838-K840 WeakPolarHBondContact OD2-CE 3.34Å; D838-K840 VanDerWaalsContact OD2-CG 3.27Å; D838-K840 WeakPolarHBondContact OD2-CG 3.22Å; D838-K840 IonicContact OD2-NZ 2.85Å; D838-K840 PolarHBondContact OD2-NZ 3.46Å; D838-Y842 PolarHBondContact OD2-OH 3.04Å
839G55.6Low51.6Low35 Ų3575.2 Ų75.236%0.36140%0.398SS..  trans71-1.1179.700000115.5R834 G835R834-G839 PolarHBondContact NE-O 3.08Å; R834-G839 VanDerWaalsContact NE-O 3.14Å; G835-G839 WeakPolarHBondContact O-CA 3.28Å; G835-G839 PolarHBondContact O-N 3.1Å; G835-G839 VanDerWaalsContact O-N 3.1Å
840K56.8Low51.1Low75 Ų7574.3 Ų74.333%0.32640%0.399SS..  trans-75.6167.9-174.7-56.2-172.2-157.8109.40111.5R834 G835 D838 Y842R834-K840 CarbonylContact C-O 3.49Å; R834-K840 WeakPolarHBondContact CA-O 3.16Å; G835-K840 PolarHBondContact N-O 3.29Å; D838-K840 HydrophobicContact CB-CD 4.46Å; D838-K840 HydrophobicContact CB-CG 4.12Å; D838-K840 PolarHBondContact O-N 3.31Å; D838-K840 VanDerWaalsContact O-N 3.15Å; D838-K840 PolarHBondContact OD1-N 3.18Å; D838-K840 VanDerWaalsContact OD1-N 3.12Å; D838-K840 WeakPolarHBondContact OD2-CD 3.3Å; D838-K840 WeakPolarHBondContact OD2-CE 3.34Å; D838-K840 VanDerWaalsContact OD2-CG 3.27Å; D838-K840 WeakPolarHBondContact OD2-CG 3.22Å; D838-K840 IonicContact OD2-NZ 2.85Å; D838-K840 PolarHBondContact OD2-NZ 3.46Å; K840-Y842 HydrophobicContact CB-CE2 4.04Å
841Q53.9Low50.7Low92 Ų9269.3 Ų69.343%0.4339%0.387SS..EExtended strand (participates in β ladder)trans-104.9139.7177.9-61.7-171.461.400110.3V832 M913V832-Q841 HydrophobicContact CG1-CB 4.14Å; V832-Q841 HydrophobicContact CG1-CG 4.48Å; Q841-M913 HydrophobicContact CB-CB 4.25Å; Q841-M913 WeakPolarHBondContact O-CB 3.05Å; Q841-M913 PolarHBondContact O-N 3.26Å
842Y53.5Low50.1Low29 Ų2972.5 Ų72.511%0.11440%0.397CS..EExtended strand (participates in β ladder)trans-128.1130-179.7-66.4-85.7000109V832 V833 D838 K840 F901 L910 I911 R912V832-Y842 CarbonylContact C-O 3.46Å; V832-Y842 WeakPolarHBondContact CA-O 3.49Å; V833-Y842 PolarHBondContact N-O 3.08Å; V833-Y842 PolarHBondContact O-N 3.43Å; D838-Y842 PolarHBondContact OD2-OH 3.04Å; K840-Y842 HydrophobicContact CB-CE2 4.04Å; Y842-F901 HydrophobicContact CD1-CE2 4.36Å; Y842-F901 AromaticContact CE1-CE2 3.73Å; Y842-F901 HydrophobicContact CE1-CE2 3.73Å; Y842-F901 AromaticContact CE1-CZ 3.55Å; Y842-F901 HydrophobicContact CE1-CZ 3.55Å; Y842-L910 HydrophobicContact CD1-CD1 4.47Å; Y842-L910 HydrophobicContact CD1-CD2 4.31Å; Y842-L910 HydrophobicContact CD1-CG 4.2Å; Y842-L910 HydrophobicContact CG-CD1 4.47Å; Y842-I911 CarbonylContact C-O 3.49Å; Y842-I911 VanDerWaalsContact CA-O 3.26Å; Y842-I911 WeakPolarHBondContact CA-O 3.45Å; Y842-R912 HydrophobicContact CD1-CB 3.99Å; Y842-R912 HydrophobicContact CD1-CG 4.25Å; Y842-R912 HydrophobicContact CE1-CB 3.65Å; Y842-R912 HydrophobicContact CE1-CG 3.6Å
843V54.1Low49Very low24 Ų2475.1 Ų75.115%0.14540%0.404CS..EExtended strand (participates in β ladder)trans-93.3117170.3-172.30000107.9I845 I911 M913V843-I845 HydrophobicContact CG1-CD1 4.44Å; V843-I845 HydrophobicContact CG1-CG1 3.79Å; V843-I911 PolarHBondContact N-O 3.19Å; V843-I911 PolarHBondContact O-N 3.23Å; V843-M913 HydrophobicContact CG2-CG 3.78Å; V843-M913 HydrophobicContact CG2-SD 3.79Å
844L53.5Low47.5Very low61 Ų6178 Ų7832%0.31942%0.422SS..EExtended strand (participates in β ladder)trans-92.8110.5167.6-179.772.6000107.9Y830 A831 V833 A908 H909 L910Y830-L844 CarbonylContact C-O 3.57Å; Y830-L844 VanDerWaalsContact CA-O 3.25Å; Y830-L844 WeakPolarHBondContact CA-O 3.23Å; A831-L844 PolarHBondContact N-O 2.64Å; A831-L844 PolarHBondContact O-N 3.45Å; V833-L844 HydrophobicContact CG2-CB 4.5Å; L844-A908 HydrophobicContact CD1-CB 3.85Å; L844-H909 WeakPolarHBondContact CA-O 3.07Å; L844-L910 HydrophobicContact CB-CD1 4.42Å; L844-L910 HydrophobicContact CD1-CD1 4.32Å
845I58.3Low46.2Very low18 Ų1873.7 Ų73.79%0.09242%0.416CS..EExtended strand (participates in β ladder)trans-99.3128.6175-54180000108.3Y828 V843 A908 H909 I911Y828-I845 HydrophobicContact CD1-CG2 3.96Å; Y828-I845 HydrophobicContact CG-CG2 4.25Å; V843-I845 HydrophobicContact CG1-CD1 4.44Å; V843-I845 HydrophobicContact CG1-CG1 3.79Å; I845-A908 CarbonylContact O-C 3.57Å; I845-A908 WeakPolarHBondContact O-CA 3.29Å; I845-A908 WeakPolarHBondContact O-CB 3.33Å; I845-H909 PolarHBondContact N-O 2.78Å; I845-H909 PolarHBondContact O-N 3.12Å; I845-I911 HydrophobicContact CD1-CD1 3.85Å
846S44.6Very low44.8Very low16 Ų1680.3 Ų80.311%0.11244%0.443CS..EExtended strand (participates in β ladder)trans-141.3147.8-17560.20000112.8Y828 R829 V851Y828-S846 CarbonylContact C-O 3.38Å; Y828-S846 WeakPolarHBondContact CA-O 3.22Å; R829-S846 PolarHBondContact N-O 3.43Å; R829-S846 PolarHBondContact O-N 3.07Å; R829-S846 PolarHBondContact O-OG 2.89Å; S846-V851 VanDerWaalsContact OG-CG2 3.27Å; S846-V851 WeakPolarHBondContact OG-CG2 3.46Å
847N45.7Very low43.8Very low44 Ų4481.9 Ų81.924%0.23544%0.436CS..  trans-70129.4170.8-174-52.7000109.5R849 M850N847-R849 PolarHBondContact O-N 2.83Å; N847-R849 VanDerWaalsContact O-N 3.09Å; N847-R849 WeakPolarHBondContact OD1-CB 3.4Å; N847-R849 PolarHBondContact OD1-N 2.89Å; N847-M850 HydrophobicContact CB-CG 4.35Å; N847-M850 PolarHBondContact O-N 2.78Å
848P44.7Very low42.6Very low19 Ų1983.9 Ų83.912%0.12343%0.426CS..Hα-helixtrans-59-25.6-177.324.7-36.3000114P827 R829 M850 V851P827-P848 WeakPolarHBondContact O-CD 3.47Å; P827-P848 WeakPolarHBondContact O-CG 3.09Å; R829-P848 HydrophobicContact CG-CB 4.2Å; P848-M850 PolarHBondContact O-N 3.39Å; P848-V851 PolarHBondContact O-N 2.9Å
849R40.8Very low41.1Very low181 Ų18186.9 Ų86.968%0.68345%0.45SS*.Hα-helixtrans-66.1-21.4175.7-67.6-174.3175.3-179.81113.4N847N847-R849 PolarHBondContact O-N 2.83Å; N847-R849 VanDerWaalsContact O-N 3.09Å; N847-R849 WeakPolarHBondContact OD1-CB 3.4Å; N847-R849 PolarHBondContact OD1-N 2.89Å
850M38.6Very low39.7Very low84 Ų8489.9 Ų89.941%0.41446%0.461SS..Hα-helixtrans-93.9-20.5-179.2-57.4-17374.800112.9N847 P848 N906N847-M850 HydrophobicContact CB-CG 4.35Å; N847-M850 PolarHBondContact O-N 2.78Å; P848-M850 PolarHBondContact O-N 3.39Å; M850-N906 HydrophobicContact CE-CB 4.31Å; M850-N906 WeakPolarHBondContact CE-O 3.46Å
851V38.9Very low38.3Very low70 Ų7090.4 Ų90.442%0.42448%0.479SS..Hα-helixtrans-78.1-28.5179.4-176.20000112.2R829 S846 P848R829-V851 HydrophobicContact CB-CG2 4.48Å; R829-V851 VanDerWaalsContact NH1-CG1 3.32Å; S846-V851 VanDerWaalsContact OG-CG2 3.27Å; S846-V851 WeakPolarHBondContact OG-CG2 3.46Å; P848-V851 PolarHBondContact O-N 2.9Å
852D35Very low37Very low114 Ų11491.6 Ų91.661%0.6149%0.492SS*.SBendtrans-99.36-179-61.3-19.7000112.9R829R829-D852 IonicContact CZ-OD1 3.57Å; R829-D852 IonicContact CZ-OD2 2.6Å; R829-D852 IonicContact NH1-OD1 3.59Å; R829-D852 PolarHBondContact NH1-OD1 3.38Å; R829-D852 IonicContact NH1-OD2 3.07Å; R829-D852 IonicContact NH2-OD1 2.73Å; R829-D852 PolarHBondContact NH2-OD1 2.67Å; R829-D852 IonicContact NH2-OD2 2.68Å; R829-D852 PolarHBondContact NH2-OD2 2.84Å
853Q29.4Very low35.6Very low135 Ų13597.6 Ų97.663%0.63153%0.526SS*.SBendtrans-82.8127.8167-85-171.2-10.300110.7V855Q853-V855 PolarHBondContact O-N 2.82Å
854T25.8Very low34.2Very low133 Ų133101.5 Ų101.582%0.81655%0.55SS*.  trans-6997.9164.348.30000109.1H856T854-H856 VanDerWaalsContact C-N 3.32Å; T854-H856 PolarHBondContact O-N 3.1Å
855V28.6Very low32.9Very low98 Ų98103.9 Ų103.959%0.59457%0.567SS**  trans-66.292.8173-178.90000108.8Q853 E857Q853-V855 PolarHBondContact O-N 2.82Å; V855-E857 PolarHBondContact O-N 3.07Å
856H26.1Very low31.5Very low154 Ų154109.1 Ų109.171%0.71360%0.6SS**  trans-72.5118173.8-141.3-77.4000108.1T854 Q858T854-H856 VanDerWaalsContact C-N 3.32Å; T854-H856 PolarHBondContact O-N 3.1Å; H856-Q858 PolarHBondContact O-N 3.36Å
857E27.3Very low30.8Very low169 Ų169113.4 Ų113.479%0.7963%0.625SS**SBendtrans51.257.2164.2-62-178.4130.400117.6V855V855-E857 PolarHBondContact O-N 3.07Å
858Q26.1Very low30Very low148 Ų148118 Ų11869%0.69265%0.65SS**  trans-131.2123.9149.7-76-162.2-1100111.9H856 V860H856-Q858 PolarHBondContact O-N 3.36Å; Q858-V860 PolarHBondContact O-N 3.3Å
859P25.5Very low29.2Very low126 Ų126124.7 Ų124.782%0.81868%0.684SS**  trans-75.6119.6173.830.4-32000110.1A861P859-A861 PolarHBondContact O-N 3.2Å
860V26.8Very low28.7Very low98 Ų98120.6 Ų120.659%0.59469%0.689SS**  trans-63.9110.2172.1178.20000108.8Q858 T862 I905Q858-V860 PolarHBondContact O-N 3.3Å; V860-T862 PolarHBondContact O-N 3.34Å; V860-I905 HydrophobicContact CG1-CG2 4.26Å
861A26.6Very low28.2Very low85 Ų85121.6 Ų121.670%0.70270%0.702SS**  trans-61.5118.8-176.200000110.9P859 L863P859-A861 PolarHBondContact O-N 3.2Å; A861-L863 PolarHBondContact O-N 3.19Å
862T26.1Very low27.7Very low117 Ų117125.6 Ų125.672%0.71872%0.72SS**  trans-83.8103.3175.8-55.70000108.9V860 T864V860-T862 PolarHBondContact O-N 3.34Å; T862-T864 VanDerWaalsContact C-N 3.27Å; T862-T864 HydrophobicContact CG2-CG2 4.13Å; T862-T864 PolarHBondContact O-N 2.79Å
863L24.9Very low27.2Very low156 Ų156127.9 Ų127.982%0.81773%0.727SS**  trans-71.277.1175.6-77.6165.2000111.5A861 T865A861-L863 PolarHBondContact O-N 3.19Å; L863-T865 PolarHBondContact O-N 2.94Å
864T25.4Very low27.1Very low106 Ų106126.2 Ų126.265%0.6573%0.728SS**  trans-82.891.9164.346.90000110.1T862 T866T862-T864 VanDerWaalsContact C-N 3.27Å; T862-T864 HydrophobicContact CG2-CG2 4.13Å; T862-T864 PolarHBondContact O-N 2.79Å; T864-T866 VanDerWaalsContact C-N 3.32Å; T864-T866 PolarHBondContact O-N 3.42Å
865T25.8Very low27.1Very low110 Ų110127.7 Ų127.768%0.67573%0.729SS**  trans-72.583.4170.151.30000110.8L863L863-T865 PolarHBondContact O-N 2.94Å
866T28.7Very low26.9Very low129 Ų129132.3 Ų132.379%0.79174%0.738SS**  trans-90.7120.9163.449.30000109T864T864-T866 VanDerWaalsContact C-N 3.32Å; T864-T866 PolarHBondContact O-N 3.42Å
867V28.9Very low26.9Very low105 Ų105132.3 Ų132.364%0.63675%0.748SS**  trans-91.6145.1-171.4-172.50000110.7
868N29.1Very low26.8Very low142 Ų142129.1 Ų129.176%0.75974%0.744SS**SBendtrans84.1146.8177.5-58.5-27.6000118.6
869D28.8Very low26.9Very low158 Ų158127.9 Ų127.985%0.84575%0.747SS**  trans68.254.8164.4-54.9-11.1000119.7
870A29.3Very low26.8Very low95 Ų95128.4 Ų128.479%0.78575%0.75SS**  29.4157.7122.100000122.7
871P28.2Very low27.1Very low105 Ų105129.6 Ų129.668%0.68276%0.757SS**  cis-136.1161.9-13.536.6-18.5000116.7
872L29.3Very low27.2Very low154 Ų154128.5 Ų128.581%0.80675%0.754SS**  trans63.3145.8152.3-66.1163.1000119.1
873E25.4Very low27.3Very low163 Ų163132.2 Ų132.276%0.76276%0.764SS**  cis-132.6148.4-3-66.6-169.4150.600111.5
874P25.7Very low27.5Very low99 Ų99132.1 Ų132.164%0.64376%0.764SS**PPolyproline II helixtrans-102.8131.3160.835.2-26.3000112.1
875I27.2Very low27.8Very low165 Ų165134.7 Ų134.785%0.84677%0.766SS**PPolyproline II helixtrans-86.4133.8171.8-63.4177.7000109.8
876Y23.8Very low27.9Very low195 Ų195136.5 Ų136.577%0.76577%0.772SS**PPolyproline II helixtrans-81.5149.7-170.6-69.1-104.7000114
877V26.1Very low27.8Very low153 Ų153135.9 Ų135.993%0.92777%0.773SS**  trans-131.9123.7146.8-179.40000106.9
878S24.9Very low27.6Very low102 Ų102138.8 Ų138.871%0.71378%0.78SS**  trans-92.4138.6-160.3-47.70000114.3
879T27.5Very low27.5Very low123 Ų123139.5 Ų139.576%0.75578%0.779SS**  trans-128.7137.9149.645.10000108.8V881T879-V881 PolarHBondContact O-N 3.12Å
880P24.8Very low27.4Very low136 Ų136138.3 Ų138.388%0.88377%0.772SS**  trans-79.6106.1-172.230.5-33.7000111.2
881V32.7Very low27.3Very low123 Ų123140.8 Ų140.875%0.74577%0.765SS**  trans-116.4125.1166.7-176.60000107.2T879T879-V881 PolarHBondContact O-N 3.12Å
882G28.6Very low27.2Very low62 Ų62140.1 Ų140.164%0.63976%0.762SS**  trans-60.5140-164.600000115.1N884G882-N884 VanDerWaalsContact C-N 3.29Å; G882-N884 PolarHBondContact O-N 2.8Å
883E28Very low27.4Very low196 Ų196139.4 Ų139.492%0.91677%0.765SS**SBendtrans-71.969.4-178.4-59.6179.113000112.5
884N29.6Very low27.6Very low153 Ų153139 Ų13982%0.81877%0.768SS**  trans-156.825.5175.2-111.9-42.7000117.4G882G882-N884 VanDerWaalsContact C-N 3.29Å; G882-N884 PolarHBondContact O-N 2.8Å
885F32.3Very low27.7Very low160 Ų160137.8 Ų137.870%0.70276%0.761SS**  trans-107.9115.4172.8-79.5-75.6000113.2S887F885-S887 PolarHBondContact O-N 2.82Å; F885-S887 VanDerWaalsContact O-N 3.14Å
886N26.5Very low27.7Very low148 Ų148133.7 Ų133.779%0.79176%0.76SS**  trans-74.1100.3-165.8-136.9-34.3000112.2Q888N886-Q888 PolarHBondContact O-N 3.44Å
887S26.5Very low27.9Very low117 Ų117128.9 Ų128.982%0.81875%0.751SS**THydrogen-bonded Turntrans-78.941.6-170.251.10000115F885F885-S887 PolarHBondContact O-N 2.82Å; F885-S887 VanDerWaalsContact O-N 3.14Å
888Q26.5Very low28.1Very low166 Ų166124.1 Ų124.178%0.77672%0.724SS**THydrogen-bonded Turntrans-128.2-9.1-174.6-67.3-159.331.900117.6N886 L890N886-Q888 PolarHBondContact O-N 3.44Å; Q888-L890 VanDerWaalsContact C-N 3.32Å; Q888-L890 PolarHBondContact O-N 2.99Å; Q888-L890 VanDerWaalsContact O-N 3.12Å
889Q25.9Very low28.4Very low157 Ų157127.3 Ų127.373%0.73472%0.72SS**  trans-89.463.3175.4-73.8-167.4-8.900113.6F891Q889-F891 HydrophobicContact CB-CD2 4.39Å; Q889-F891 HydrophobicContact CB-CE2 3.84Å; Q889-F891 HydrophobicContact CB-CZ 4.06Å; Q889-F891 HydrophobicContact CG-CZ 4.41Å; Q889-F891 WeakPolarHBondContact O-CD2 3.26Å; Q889-F891 PolarHBondContact O-N 2.83Å; Q889-F891 VanDerWaalsContact O-N 3.16Å; Q889-F891 VanDerWaalsContact OE1-CZ 3.23Å
890L26.7Very low28.8Very low133 Ų133123.6 Ų123.670%0.69670%0.702SS**  trans-75.987.8160.6-81166.4000109.3Q888Q888-L890 VanDerWaalsContact C-N 3.32Å; Q888-L890 PolarHBondContact O-N 2.99Å; Q888-L890 VanDerWaalsContact O-N 3.12Å
891F27.1Very low29.5Very low146 Ų146121.3 Ų121.364%0.6468%0.678SS**  trans-62135.1179.5-67.5-82.2000112.6Q889Q889-F891 HydrophobicContact CB-CD2 4.39Å; Q889-F891 HydrophobicContact CB-CE2 3.84Å; Q889-F891 HydrophobicContact CB-CZ 4.06Å; Q889-F891 HydrophobicContact CG-CZ 4.41Å; Q889-F891 WeakPolarHBondContact O-CD2 3.26Å; Q889-F891 PolarHBondContact O-N 2.83Å; Q889-F891 VanDerWaalsContact O-N 3.16Å; Q889-F891 VanDerWaalsContact OE1-CZ 3.23Å
892S25.3Very low30.2Very low91 Ų91121.3 Ų121.364%0.63667%0.668SS**  trans-59.5139.5178.8-57.70000112.9D894 S895S892-D894 PolarHBondContact O-N 3.16Å; S892-S895 PolarHBondContact O-N 2.87Å
893V33.5Very low31Very low140 Ų140121.1 Ų121.185%0.84866%0.655SS**THydrogen-bonded Turntrans-66.1-20.4-175179.30000113S895V893-S895 VanDerWaalsContact C-N 3.27Å; V893-S895 PolarHBondContact O-N 3.19Å
894D30Very low31.7Very low155 Ų155117.2 Ų117.283%0.82964%0.636SS**THydrogen-bonded Turntrans-79.4-3.7-177.7-49.5-67.9000114S892 G896S892-D894 PolarHBondContact O-N 3.16Å; D894-G896 PolarHBondContact O-N 3.21Å
895S28.6Very low32.5Very low72 Ų72113.8 Ų113.850%0.50362%0.617SS.*  trans-75.7116.5168.8-176.60000110.5S892 V893 V897S892-S895 PolarHBondContact O-N 2.87Å; V893-S895 VanDerWaalsContact C-N 3.27Å; V893-S895 PolarHBondContact O-N 3.19Å; S895-V897 PolarHBondContact O-N 3.14Å
896G27.7Very low32.8Very low79 Ų79111 Ų11181%0.81461%0.61SS**  trans-61.3-6.6176.800000115.1D894 S898D894-G896 PolarHBondContact O-N 3.21Å; G896-S898 VanDerWaalsContact C-N 3.32Å; G896-S898 PolarHBondContact O-N 3.12Å
897V27.1Very low33.6Very low95 Ų95105.8 Ų105.858%0.57659%0.591SS**  trans-73.283.4175.9-171.30000110.1S895 R899S895-V897 PolarHBondContact O-N 3.14Å; V897-R899 HydrophobicContact CG1-CG 4.11Å; V897-R899 PolarHBondContact O-N 3.15Å
898S29.7Very low34.1Very low52 Ų52100.9 Ų100.936%0.36456%0.558SS.*  trans-61.5111167.9-79.30000109.7G896 R912 I920G896-S898 VanDerWaalsContact C-N 3.32Å; G896-S898 PolarHBondContact O-N 3.12Å; S898-R912 PolarHBondContact OG-NH2 2.97Å; S898-I920 WeakPolarHBondContact O-CG2 3.45Å
899R31Very low35.3Very low170 Ų17094.7 Ų94.764%0.64253%0.529SS*.  trans-102144.4166.2-65.1-170.9176.8-166.1-1.2110.9V897 S921V897-R899 HydrophobicContact CG1-CG 4.11Å; V897-R899 PolarHBondContact O-N 3.15Å; R899-S921 WeakPolarHBondContact CA-OG 3.49Å
900A37.6Very low36.1Very low45 Ų4589.4 Ų89.437%0.37251%0.505SS..  trans-71.1148.4165.400000110.3I920A900-I920 HydrophobicContact CB-CB 4.09Å; A900-I920 WeakPolarHBondContact CB-O 3.42Å; A900-I920 PolarHBondContact N-O 3.16Å
901F38.6Very low37.4Very low88 Ų8884.7 Ų84.739%0.38648%0.48SS..  trans-109.2133.516042.9-100000108.3Y842 V903 L910 R912Y842-F901 HydrophobicContact CD1-CE2 4.36Å; Y842-F901 AromaticContact CE1-CE2 3.73Å; Y842-F901 HydrophobicContact CE1-CE2 3.73Å; Y842-F901 AromaticContact CE1-CZ 3.55Å; Y842-F901 HydrophobicContact CE1-CZ 3.55Å; F901-V903 HydrophobicContact CD2-CG2 4.02Å; F901-L910 HydrophobicContact CE2-CD2 4.48Å; F901-R912 HydrophobicContact CE1-CB 4.48Å; F901-R912 HydrophobicContact CE2-CB 4.41Å; F901-R912 HydrophobicContact CZ-CB 4.29Å
902K47Very low38.3Very low123 Ų12379.4 Ų79.454%0.53546%0.456SS..EExtended strand (participates in β ladder)trans-91.3116.5160.4-177.8-168.1179.5-165.70106.3E904 H909K902-E904 IonicContact NZ-OE2 2.66Å; K902-H909 VanDerWaalsContact CE-CE1 3.4Å; K902-H909 WeakPolarHBondContact CE-CE1 3.37Å; K902-H909 WeakPolarHBondContact CE-ND1 3.45Å; K902-H909 WeakPolarHBondContact CE-NE2 3.35Å; K902-H909 PolarHBondContact NZ-CE1 3.14Å; K902-H909 PolarHBondContact NZ-NE2 3.39Å
903V44.9Very low39.4Very low58 Ų5876.7 Ų76.735%0.35243%0.433SS..EExtended strand (participates in β ladder)trans-111.3131.2165.4-174.50000107.5F901 I905 L910F901-V903 HydrophobicContact CD2-CG2 4.02Å; V903-I905 HydrophobicContact CG1-CD1 4.19Å; V903-I905 HydrophobicContact CG1-CG1 3.88Å; V903-L910 HydrophobicContact CB-CB 4.45Å; V903-L910 PolarHBondContact N-O 2.87Å; V903-L910 PolarHBondContact O-N 2.96Å
904E43.2Very low40Very low114 Ų11471.8 Ų71.853%0.53340%0.402SS..EExtended strand (participates in β ladder)trans-103.8125.2173.9-170.8164.4159.300109.7K902 A908 H909K902-E904 IonicContact NZ-OE2 2.66Å; E904-A908 WeakPolarHBondContact CA-O 3.46Å; E904-H909 VanDerWaalsContact CD-CE1 3.48Å; E904-H909 IonicContact OE1-CE1 3.53Å; E904-H909 IonicContact OE2-CE1 3.49Å; E904-H909 PolarHBondContact OE2-CE1 3.42Å; E904-H909 IonicContact OE2-ND1 2.72Å
905I46.1Very low40.8Very low81 Ų8169.8 Ų69.842%0.41540%0.398SS..EExtended strand (participates in β ladder)trans-133.5113.2178.2-52.1-179.4000106.6V860 V903 G907 A908V860-I905 HydrophobicContact CG1-CG2 4.26Å; V903-I905 HydrophobicContact CG1-CD1 4.19Å; V903-I905 HydrophobicContact CG1-CG1 3.88Å; I905-G907 PolarHBondContact O-N 2.7Å; I905-A908 PolarHBondContact N-O 3.33Å; I905-A908 WeakPolarHBondContact O-CB 3.33Å; I905-A908 PolarHBondContact O-N 2.81Å
906N39.9Very low41.8Very low101 Ų10173.6 Ų73.654%0.5441%0.408SS..THydrogen-bonded Turntrans47.353.8178.7-60.1-3.2000113M850 A908M850-N906 HydrophobicContact CE-CB 4.31Å; M850-N906 WeakPolarHBondContact CE-O 3.46Å; N906-A908 PolarHBondContact O-N 2.87Å; N906-A908 VanDerWaalsContact O-N 3.12Å
907G42Very low42.5Very low39 Ų3971.9 Ų71.940%0.40239%0.39SS..THydrogen-bonded Turntrans66.79.6179.600000115.3I905I905-G907 PolarHBondContact O-N 2.7Å
908A38.8Very low43.4Very low14 Ų1473.2 Ų73.212%0.11639%0.39CS..EExtended strand (participates in β ladder)trans-105.4136.1170.600000110.7L844 I845 E904 I905 N906L844-A908 HydrophobicContact CD1-CB 3.85Å; I845-A908 CarbonylContact O-C 3.57Å; I845-A908 WeakPolarHBondContact O-CA 3.29Å; I845-A908 WeakPolarHBondContact O-CB 3.33Å; E904-A908 WeakPolarHBondContact CA-O 3.46Å; I905-A908 PolarHBondContact N-O 3.33Å; I905-A908 WeakPolarHBondContact O-CB 3.33Å; I905-A908 PolarHBondContact O-N 2.81Å; N906-A908 PolarHBondContact O-N 2.87Å; N906-A908 VanDerWaalsContact O-N 3.12Å
909H50.2Low43.9Very low36 Ų3673.5 Ų73.517%0.16739%0.392CS..EExtended strand (participates in β ladder)trans-99.9127.5177.3-62-17.8000110.4L844 I845 K902 E904L844-H909 WeakPolarHBondContact CA-O 3.07Å; I845-H909 PolarHBondContact N-O 2.78Å; I845-H909 PolarHBondContact O-N 3.12Å; K902-H909 VanDerWaalsContact CE-CE1 3.4Å; K902-H909 WeakPolarHBondContact CE-CE1 3.37Å; K902-H909 WeakPolarHBondContact CE-ND1 3.45Å; K902-H909 WeakPolarHBondContact CE-NE2 3.35Å; K902-H909 PolarHBondContact NZ-CE1 3.14Å; K902-H909 PolarHBondContact NZ-NE2 3.39Å; E904-H909 VanDerWaalsContact CD-CE1 3.48Å; E904-H909 IonicContact OE1-CE1 3.53Å; E904-H909 IonicContact OE2-CE1 3.49Å; E904-H909 PolarHBondContact OE2-CE1 3.42Å; E904-H909 IonicContact OE2-ND1 2.72Å
910L43.6Very low44.5Very low45 Ų4565.6 Ų65.624%0.23636%0.362CS..EExtended strand (participates in β ladder)trans-97.4120.2170.4-16873.3000109.5Y842 L844 F901 V903Y842-L910 HydrophobicContact CD1-CD1 4.47Å; Y842-L910 HydrophobicContact CD1-CD2 4.31Å; Y842-L910 HydrophobicContact CD1-CG 4.2Å; Y842-L910 HydrophobicContact CG-CD1 4.47Å; L844-L910 HydrophobicContact CB-CD1 4.42Å; L844-L910 HydrophobicContact CD1-CD1 4.32Å; F901-L910 HydrophobicContact CE2-CD2 4.48Å; V903-L910 HydrophobicContact CB-CB 4.45Å; V903-L910 PolarHBondContact N-O 2.87Å; V903-L910 PolarHBondContact O-N 2.96Å
911I53.8Low44.5Very low34 Ų3466.5 Ų66.517%0.17437%0.366CS..EExtended strand (participates in β ladder)trans-117.7126.9179.1-56.1176.6000109.1Y842 V843 I845 M913Y842-I911 CarbonylContact C-O 3.49Å; Y842-I911 VanDerWaalsContact CA-O 3.26Å; Y842-I911 WeakPolarHBondContact CA-O 3.45Å; V843-I911 PolarHBondContact N-O 3.19Å; V843-I911 PolarHBondContact O-N 3.23Å; I845-I911 HydrophobicContact CD1-CD1 3.85Å; I911-M913 HydrophobicContact CG2-SD 4.49Å
912R46.3Very low44.2Very low36 Ų3664.4 Ų64.414%0.13637%0.369CS..EExtended strand (participates in β ladder)trans-81.1134.2174.4-173-176.3146.6-153.4-11.4110.7Y842 S898 F901 I920Y842-R912 HydrophobicContact CD1-CB 3.99Å; Y842-R912 HydrophobicContact CD1-CG 4.25Å; Y842-R912 HydrophobicContact CE1-CB 3.65Å; Y842-R912 HydrophobicContact CE1-CG 3.6Å; S898-R912 PolarHBondContact OG-NH2 2.97Å; F901-R912 HydrophobicContact CE1-CB 4.48Å; F901-R912 HydrophobicContact CE2-CB 4.41Å; F901-R912 HydrophobicContact CZ-CB 4.29Å; R912-I920 HydrophobicContact CB-CD1 4.33Å; R912-I920 HydrophobicContact CG-CD1 3.68Å; R912-I920 WeakPolarHBondContact O-CG1 3.21Å
913M48.5Very low43.4Very low33 Ų3364.5 Ų64.516%0.16338%0.376CS..EExtended strand (participates in β ladder)trans-106.2149.4176.5-55.6-62.5-70.800111.8Q841 V843 I911 G917Q841-M913 HydrophobicContact CB-CB 4.25Å; Q841-M913 WeakPolarHBondContact O-CB 3.05Å; Q841-M913 PolarHBondContact O-N 3.26Å; V843-M913 HydrophobicContact CG2-CG 3.78Å; V843-M913 HydrophobicContact CG2-SD 3.79Å; I911-M913 HydrophobicContact CG2-SD 4.49Å; M913-G917 WeakPolarHBondContact CE-O 3.43Å
914N46.1Very low43Very low37 Ų3767.8 Ų67.820%0.19839%0.391CS..  trans-66.7157.2168.3-88.4-26.8000110.8E916 G917 H918 I920N914-E916 PolarHBondContact O-N 2.79Å; N914-G917 PolarHBondContact O-N 3.3Å; N914-H918 WeakPolarHBondContact CB-O 3.27Å; N914-H918 PolarHBondContact N-O 3.04Å; N914-I920 HydrophobicContact CB-CG1 4.23Å; N914-I920 WeakPolarHBondContact OD1-CD1 3.33Å; N914-I920 WeakPolarHBondContact OD1-CG1 3.07Å
915P45.8Very low42.5Very low114 Ų11472.4 Ų72.474%0.7440%0.404SS*.THydrogen-bonded Turntrans-59.4-25.3174.425.5-34.9000113.2G917P915-G917 VanDerWaalsContact C-N 3.3Å
916E50.5Low42.1Very low152 Ų15275.2 Ų75.271%0.7142%0.415SS*.THydrogen-bonded Turntrans-78.7-6.4175.4-68.4146.9-165.800114N914N914-E916 PolarHBondContact O-N 2.79Å
917G42.3Very low41.7Very low43 Ų4373 Ų7344%0.44340%0.403SS..SBendtrans88.9-1.7-178.900000115.3M913 N914 P915M913-G917 WeakPolarHBondContact CE-O 3.43Å; N914-G917 PolarHBondContact O-N 3.3Å; P915-G917 VanDerWaalsContact C-N 3.3Å
918H45.2Very low41.2Very low123 Ų12377.8 Ų77.857%0.56941%0.409SS*.  trans-80.7153.2173.2-61.4-64.5000112.8N914N914-H918 WeakPolarHBondContact CB-O 3.27Å; N914-H918 PolarHBondContact N-O 3.04Å
919S41Very low40.9Very low58 Ų5881.6 Ų81.641%0.40643%0.43SS..BIsolated β-bridgetrans-65.8141173.3-560000111.2S921S919-S921 PolarHBondContact O-N 2.91Å; S919-S921 VanDerWaalsContact O-N 3.16Å
920I43.7Very low40.1Very low3 Ų383.3 Ų83.32%0.01544%0.44CS..  trans-85.793.4-176.1-52.7-165.5000112S898 A900 R912 N914S898-I920 WeakPolarHBondContact O-CG2 3.45Å; A900-I920 HydrophobicContact CB-CB 4.09Å; A900-I920 WeakPolarHBondContact CB-O 3.42Å; A900-I920 PolarHBondContact N-O 3.16Å; R912-I920 HydrophobicContact CB-CD1 4.33Å; R912-I920 HydrophobicContact CG-CD1 3.68Å; R912-I920 WeakPolarHBondContact O-CG1 3.21Å; N914-I920 HydrophobicContact CB-CG1 4.23Å; N914-I920 WeakPolarHBondContact OD1-CD1 3.33Å; N914-I920 WeakPolarHBondContact OD1-CG1 3.07Å
921S36.1Very low39.6Very low65 Ų6588.4 Ų88.446%0.45546%0.457SS..SBendtrans66.3160.3165.681.70000117.8R899 S919R899-S921 WeakPolarHBondContact CA-OG 3.49Å; S919-S921 PolarHBondContact O-N 2.91Å; S919-S921 VanDerWaalsContact O-N 3.16Å
922G33.9Very low38.5Very low44 Ų4491.4 Ų91.445%0.45448%0.478SS..SBendtrans99.165.915600000116.4
923N30.3Very low37.6Very low125 Ų12593.5 Ų93.567%0.66850%0.495SS*.  trans49.7112.8173.6-78.5-12.7000115.5R925 Q926N923-R925 PolarHBondContact O-N 2.92Å; N923-Q926 PolarHBondContact O-N 3.14Å
924D35.1Very low36.7Very low126 Ų12695.7 Ų95.767%0.67451%0.511SS*.Hα-helixtrans-53.3-20.2178.5-64.6-67.1000115R928D924-R928 WeakPolarHBondContact O-CG 3.37Å; D924-R928 PolarHBondContact O-N 2.96Å
925R33.7Very low36Very low211 Ų211100.5 Ų100.580%0.79653%0.532SS*.Hα-helixtrans-56.7-46.9168.7-63.1-174179.3-166.1-1112.7N923 I927 R928 T929N923-R925 PolarHBondContact O-N 2.92Å; R925-I927 PolarHBondContact O-N 2.66Å; R925-R928 PolarHBondContact O-N 3.4Å; R925-T929 PolarHBondContact O-N 3.38Å; R925-T929 PolarHBondContact O-OG1 3.34Å; R925-T929 VanDerWaalsContact O-OG1 3.04Å
926Q36.4Very low35.3Very low140 Ų14098.5 Ų98.565%0.65452%0.521SS*.Hα-helixtrans-66.4-36.6-176.5-69.4-166.5-400112.7N923N923-Q926 PolarHBondContact O-N 3.14Å
927I32.2Very low34.4Very low54 Ų5496.3 Ų96.328%0.27753%0.529SS..Hα-helixtrans-69.8-40.3177.3-62-179.7000110.1R925 T929 I930 Y931R925-I927 PolarHBondContact O-N 2.66Å; I927-T929 PolarHBondContact O-N 2.85Å; I927-I930 PolarHBondContact O-N 3.16Å; I927-Y931 HydrophobicContact CG2-CD2 4.48Å; I927-Y931 HydrophobicContact CG2-CE2 3.9Å; I927-Y931 WeakPolarHBondContact O-CD2 3.35Å
928R31.9Very low33.8Very low140 Ų140100.1 Ų100.153%0.52854%0.544SS..Hα-helixtrans-60.5-40.1178.1-76.1174.9-176.5-111.6-11.6113.3D924 R925 I930 Y931D924-R928 WeakPolarHBondContact O-CG 3.37Å; D924-R928 PolarHBondContact O-N 2.96Å; R925-R928 PolarHBondContact O-N 3.4Å; R928-I930 PolarHBondContact O-N 3.2Å; R928-I930 VanDerWaalsContact O-N 3.08Å; R928-Y931 PolarHBondContact O-N 3.12Å
929T32Very low32.9Very low94 Ų94100.6 Ų100.658%0.57756%0.555SS**Hα-helixtrans-57.6-24.7179.3-46.80000113.5R925 I927 Y931R925-T929 PolarHBondContact O-N 3.38Å; R925-T929 PolarHBondContact O-OG1 3.34Å; R925-T929 VanDerWaalsContact O-OG1 3.04Å; I927-T929 PolarHBondContact O-N 2.85Å; T929-Y931 VanDerWaalsContact C-N 3.29Å; T929-Y931 PolarHBondContact O-N 2.87Å
930I34.3Very low32.3Very low72 Ų72105.7 Ų105.737%0.36958%0.577SS.*THydrogen-bonded Turntrans-75.1-18.1178.9-58.3175.2000112.1I927 R928I927-I930 PolarHBondContact O-N 3.16Å; R928-I930 PolarHBondContact O-N 3.2Å; R928-I930 VanDerWaalsContact O-N 3.08Å
931Y32Very low31.4Very low152 Ų152109.9 Ų109.960%0.59661%0.612SS**THydrogen-bonded Turntrans-105.2-0.5-171.1-68.8-74.8000115.5I927 R928 T929I927-Y931 HydrophobicContact CG2-CD2 4.48Å; I927-Y931 HydrophobicContact CG2-CE2 3.9Å; I927-Y931 WeakPolarHBondContact O-CD2 3.35Å; R928-Y931 PolarHBondContact O-N 3.12Å; T929-Y931 VanDerWaalsContact C-N 3.29Å; T929-Y931 PolarHBondContact O-N 2.87Å
932T31.7Very low30.9Very low98 Ų98110.8 Ų110.860%0.60162%0.624SS**SBendtrans-121.5-8.3-163.452.70000117.7
933T27.3Very low30.7Very low80 Ų80117.8 Ų117.849%0.49166%0.658SS.*  trans-131.891-173.244.70000114.5Q935T933-Q935 PolarHBondContact O-N 2.95Å
934P29.5Very low30.7Very low79 Ų79117.4 Ų117.451%0.51366%0.657SS.*THydrogen-bonded Turntrans-78.737.7-179.935-37.5000113.9
935Q31.9Very low30.5Very low137 Ų137116.9 Ų116.964%0.6466%0.657SS**THydrogen-bonded Turntrans-155.8-1.2-175.9-121.5154.7-13.900117.2N823 T933N823-Q935 PolarHBondContact ND2-OE1 3.08Å; T933-Q935 PolarHBondContact O-N 2.95Å
936S29.3Very low30.3Very low73 Ų73111.7 Ų111.751%0.5165%0.649SS.*  trans-132.924.7-169.369.80000115.2T938S936-T938 VanDerWaalsContact C-N 3.25Å; S936-T938 PolarHBondContact O-N 3.46Å
937A32.3Very low29.9Very low106 Ų106110.1 Ų110.188%0.87665%0.649SS**  trans-81.81.5-179.100000114.3
938T29.4Very low29.8Very low123 Ų123113.6 Ų113.676%0.75567%0.672SS**SBendtrans-103.3138.8168.4-440000107.8S936S936-T938 VanDerWaalsContact C-N 3.25Å; S936-T938 PolarHBondContact O-N 3.46Å
939T26.8Very low29.6Very low132 Ų132111.8 Ų111.881%0.8168%0.681SS**  trans72.579.1-177.9-45.20000114.9
940L28.3Very low29.5Very low165 Ų165113.1 Ų113.186%0.86469%0.689SS**  trans-152.163.7144.5-116.9174.2000110.6
941A24.8Very low29.1Very low91 Ų91116.2 Ų116.275%0.75271%0.713SS**  trans-89.5159.1153.800000108.5
942A24.8Very low28.9Very low84 Ų84113.3 Ų113.369%0.69472%0.723SS**  trans68.678.1-178.900000116.4
943T30.2Very low28.6Very low191 Ų191114.6 Ų114.6100%1.17273%0.734SS**  -145.20114.7-26.30000109.3

Retrieved 943 of 943 residues in 125.9 ms (Link to these results)