A0A3Q0KUK7_SCHMA Loading...

Ccr4-not transcription complex, putative

AlphaFold DB , UniProt , Accession A0A3Q0KUK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 948 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
1M34Very low34.1Very low229 Ų229155 Ų155100%1.12884%0.843SS**  0113.40-64.599.6167.700106.8
2V34.1Very low34Very low125 Ų125155.3 Ų155.376%0.75884%0.844SS**  63.290.658.2-172.70000108
3L37.1Very low34.9Very low169 Ų169152.3 Ų152.389%0.88584%0.837SS**  69.7134.978.8-65.8169.5000112.4
4G38.3Very low34.9Very low71 Ų71155.1 Ų155.173%0.73284%0.841SS**  cis-177.6-173.7-000000113.5
5Y27.4Very low34.8Very low237 Ų237152 Ų15293%0.92984%0.836SS**  trans-88.6138.8174.5-90.1-105.6000112.2
6S36.4Very low34.6Very low109 Ų109146.8 Ų146.876%0.76283%0.827SS**  trans-170.9114.515548.20000108.6
7Y35.2Very low34.5Very low227 Ų227149.5 Ų149.589%0.8983%0.828SS**  94.8140.763-96-69.1000113.3
8S30.2Very low34.6Very low96 Ų96149.7 Ų149.767%0.67183%0.827SS**  trans-72.8160.3-164.5-40.80000115.5
9L37Very low34.5Very low174 Ų174148.4 Ų148.491%0.91182%0.819SS**  trans-134.4138.4141.5-80178.1000109.1
10D31.5Very low34.5Very low144 Ų144151.3 Ų151.377%0.7782%0.823SS**  trans-84.3157.4179.7-49.7-87.4000112.3
11C34Very low34.8Very low124 Ų124150 Ų15084%0.83882%0.82SS**  159123.7129-87.60000112
12D33.2Very low34.9Very low159 Ų159145 Ų14585%0.8580%0.798SS**  trans-84.4-166.1169.8-54.8-73.8000111.4
13P45.3Very low34.9Very low116 Ų116145.6 Ų145.675%0.75380%0.796SS**  -132173-95.140.4-23.5000114.3
14E34.3Very low34.8Very low191 Ų191144.9 Ų144.989%0.89379%0.788SS**  trans-173.5153.3136.1-113.2-178.6-165.600116.4
15S34.3Very low35Very low109 Ų109150.2 Ų150.276%0.76279%0.794SS**  trans43.285.9147.6-173.90000122.5
16G31.2Very low35.2Very low68 Ų68147.1 Ų147.170%0.70179%0.786SS**  83145.999.300000123
17K33.2Very low35.6Very low193 Ų193147.3 Ų147.384%0.83978%0.784SS**  trans70.2103.2156.2-61.7179.9-177.4174.60119.6
18N35.9Very low35.6Very low153 Ų153140.4 Ų140.482%0.81877%0.774SS**  176.2164.889-95.3-20.5000114.1
19N32Very low35.8Very low126 Ų126143.7 Ų143.767%0.67478%0.783SS**  trans-82.6161.9-167-53.3-19.7000115.2
20F35Very low35.9Very low206 Ų206140.1 Ų140.190%0.90477%0.769SS**  trans-131.5133.3151.7-99.3-113.5000104.1
21V40.8Very low36.1Very low124 Ų124142.2 Ų142.275%0.75277%0.771SS**  cis-142.6148.85.1175.70000109.4
22D36.2Very low36.3Very low124 Ų124140.8 Ų140.866%0.66376%0.763SS**  trans-133159.6179-54.3-100.4000109.1
23L35.4Very low36.3Very low137 Ų137141.1 Ų141.172%0.71776%0.756SS**  cis-115.1-135.4-0.2-121.7165.3000109.3
24E34.6Very low36.1Very low154 Ų154142.1 Ų142.172%0.7276%0.763SS**  cis-153.8-177.11.2-149.8112.8-124.800106.2
25E41.6Very low36.2Very low183 Ų183139.6 Ų139.686%0.85575%0.754SS**  cis-139.2170.67.9-171.9177.9-175.800109
26F32.3Very low36Very low173 Ų173139.6 Ų139.676%0.75975%0.754SS**  trans-107.2-176.9-172.2-80.4-82.7000112.9
27P45.5Very low35.8Very low113 Ų113145.9 Ų145.973%0.73476%0.762SS**  cis-136.1-176-40.235.4-17.1000115.2
28A35Very low35.6Very low81 Ų81142.5 Ų142.567%0.66976%0.763SS**  trans105.1123.2135.700000122.4
29L34.4Very low35.3Very low165 Ų165138.6 Ų138.686%0.86476%0.759SS**  trans67.3137.3146.3-61.7170000118.6
30T37.8Very low35.3Very low99 Ų99138.7 Ų138.761%0.60776%0.764SS**  cis-150148.30.751.90000113.4
31K36.5Very low35.1Very low189 Ų189133.9 Ų133.982%0.82275%0.751SS**  trans55.4146.1141.6-64.1165.5-174.7175.70121.3
32S37.7Very low34.6Very low94 Ų94138.8 Ų138.866%0.65776%0.757SS**  cis-177.4135.7-2450.60000112.9
33K34.6Very low34.6Very low166 Ų166141.4 Ų141.472%0.72276%0.762SS**  trans69.9154.4158.4-66.9174.7169.5-173.70116.4I35K33-I35 HydrophobicContact CB-CG1 4.34Å; K33-I35 HydrophobicContact CD-CD1 4Å; K33-I35 HydrophobicContact CD-CG1 3.77Å; K33-I35 HydrophobicContact CG-CG1 4.18Å
34P40.8Very low34.4Very low136 Ų136141.3 Ų141.388%0.88376%0.762SS**  -93.7-168.75833.9-38.6000116.7
35I35.4Very low34.3Very low138 Ų138141.9 Ų141.971%0.70877%0.765SS**  trans-124.9149.2-160.7-63.8173.9000112.1K33K33-I35 HydrophobicContact CB-CG1 4.34Å; K33-I35 HydrophobicContact CD-CD1 4Å; K33-I35 HydrophobicContact CD-CG1 3.77Å; K33-I35 HydrophobicContact CG-CG1 4.18Å
36S29.7Very low33.8Very low110 Ų110138.9 Ų138.977%0.76976%0.759SS**  trans-103.9175.5179.260.80000114.3
37F26.9Very low33.6Very low199 Ų199139.9 Ų139.987%0.87376%0.763SS**  trans-88.3166.8177.4-101.1-102.3000114.7
38S29.9Very low33.1Very low122 Ų122139.6 Ų139.685%0.85376%0.759SS**  trans87.1154.3156.879.90000120.8
39G29.8Very low33.4Very low71 Ų71140.4 Ų140.473%0.73276%0.758SS**  trans98112.4-178.200000114.4
40V31.3Very low33.4Very low128 Ų128138.1 Ų138.178%0.77675%0.751SS**  cis112.693.56.4-175.40000115.7
41T30.8Very low33.3Very low105 Ų105140.2 Ų140.264%0.64475%0.753SS**  trans77.4127147.752.30000126.3
42W30.6Very low33.1Very low228 Ų228138 Ų13886%0.86475%0.751SS**  trans95.995.6134.5-64.1-6.9000124.6
43K35.2Very low32.9Very low178 Ų178137.8 Ų137.877%0.77475%0.749SS**  77.3129.9122.3-82.2-173.7172.8176.40125.1
44N32.9Very low32.9Very low135 Ų135136 Ų13672%0.72275%0.752SS**  trans74147.4146.7-64.515.9000118
45Q32.5Very low32.5Very low167 Ų167137.3 Ų137.378%0.7875%0.746SS**  cis-153.1139.86.5-154.1166.9-29.800114.4
46V29.7Very low32.5Very low119 Ų119135.8 Ų135.872%0.72175%0.748SS**  trans30.7127.8149179.60000122.3
47F29.1Very low32.7Very low194 Ų194139.8 Ų139.885%0.85175%0.754SS**  -152.7151.4128.6-140.1-91.4000111.6
48V34.6Very low33.1Very low108 Ų108134.3 Ų134.366%0.65575%0.746SS**  trans-143.6134.3178178.50000110.5
49P41.4Very low33.3Very low98 Ų98134.9 Ų134.964%0.63674%0.744SS**  trans-138.3169.2132.739.6-27.9000111.3
50T34.3Very low33.5Very low116 Ų116134.8 Ų134.871%0.71274%0.743SS**  cis-174.6150.1-14.932.60000106.1
51E34.7Very low33.8Very low143 Ų143135.1 Ų135.167%0.66874%0.741SS**  cis-168.9-173.4-22.9-136.471-84.100107.9
52D33.3Very low34Very low144 Ų144137.7 Ų137.777%0.7775%0.75SS**  trans66.9149.7166.6-73.4-38.1000121.6
53S32.8Very low34.1Very low89 Ų89133 Ų13362%0.62275%0.751SS**  cis179.6138.7-33.3-100.20000110.3
54V35.3Very low33.8Very low128 Ų128131.8 Ų131.878%0.77675%0.752SS**  trans65.6138.1150.11720000117.5
55E32.5Very low33.7Very low164 Ų164131.4 Ų131.477%0.76675%0.75SS**  cis-157.5166.1-4-125.8172.1173.700110.6
56S35Very low33.6Very low106 Ų106128.6 Ų128.674%0.74174%0.744SS**  trans46.2157.2153.661.30000121.9
57E33.6Very low33.5Very low193 Ų193128.5 Ų128.590%0.90275%0.749SS**  cis-145.1-1730.2-140173.6-162.900112.9
58A35.4Very low33.6Very low84 Ų84128.8 Ų128.869%0.69475%0.75SS**  trans-85.1155.2-158.900000117.4
59T34Very low33.5Very low134 Ų134132.8 Ų132.882%0.82276%0.758SS**  171.3138.7113.6-68.70000110
60G34.4Very low33Very low69 Ų69138.6 Ų138.671%0.71177%0.768SS**  trans-174.9-14.3-175.300000119.6
61N36.8Very low32.9Very low135 Ų135144.9 Ų144.972%0.72278%0.778SS**  trans76.2136.9163.7-54.4-19.3000120.8
62N35.9Very low32.7Very low159 Ų159145.1 Ų145.185%0.8578%0.783SS**  trans78.1119154.1-60.3-13.7000119.7
63C32.5Very low32.8Very low129 Ų129148.4 Ų148.487%0.87279%0.791SS**  trans-113.4155.9-168.4-58.10000113.8
64L28.8Very low33.1Very low153 Ų153153.1 Ų153.180%0.80180%0.8SS**  trans-69.2174.1154.3-58.1164.7000109.3
65N30.2Very low33.1Very low127 Ų127155.9 Ų155.968%0.67980%0.802SS**  cis-168.6156.214.7-138.71.9000113.7
66V30.9Very low33.1Very low109 Ų109156.8 Ų156.866%0.66180%0.803SS**  trans55.7107.4131.7163.30000123.3
67S28.6Very low33.1Very low116 Ų116160.1 Ų160.181%0.81180%0.804SS**  68.3177.8112.7-47.80000124.7
68K29.8Very low33Very low200 Ų200157.4 Ų157.487%0.8779%0.792SS**  trans-103.3163-160.4-60.1168.1177.8168.70114.7
69K32.4Very low32.8Very low193 Ų193159 Ų15984%0.83979%0.792SS**  trans76.9103.6150.5-83.1-179.6175.8175.80121.3
70R31.2Very low32.8Very low220 Ų220158.7 Ų158.783%0.8379%0.79SS**  62.6109.5109-170-166.8-164.2-1678.6120
71R32.1Very low32.6Very low248 Ų248160.3 Ų160.394%0.93679%0.789SS**  trans-157.9160136.4-121.3171.6179.1169.80.2114
72L30.8Very low32.1Very low148 Ų148159 Ų15978%0.77579%0.791SS**  trans-93.5153.7-178.2-74.868.6000112.1
73K36.4Very low32.1Very low213 Ų213160 Ų16093%0.92679%0.79SS**  -162.8153.3127.4-110.3168.1-175.9-179.60113.7
74K38.3Very low32.1Very low188 Ų188163.3 Ų163.382%0.81779%0.793SS**  trans-88.8170.2170.7-61.8170.2172.31660108.4
75K36.4Very low32.4Very low186 Ų186160.1 Ų160.181%0.80978%0.783SS**  cis-170.8172.514-144.3173.6-176.8-175.40110.7
76K32Very low32.8Very low183 Ų183159.1 Ų159.180%0.79678%0.782SS**  trans83.8111.7152.4-136.3166.5-179.4-169.80115.2
77K34.3Very low33Very low175 Ų175161 Ų16176%0.76179%0.789SS**  85.7144.468.2-98.9-158.7169.2-152.30113.2
78Q32.7Very low33.3Very low137 Ų137162.3 Ų162.364%0.6479%0.786SS**  cis-172175.1-3.8-161.2-170.5-31.600110.7
79V31.2Very low33.7Very low116 Ų116157 Ų15770%0.70378%0.775SS**  trans76.5140.1164.3-138.90000112.6
80V32.6Very low33.9Very low128 Ų128153.6 Ų153.678%0.77678%0.775SS**  cis-139.9159.537.31750000114.1
81C30.4Very low34.6Very low104 Ų104149.2 Ų149.270%0.70378%0.775SS**  trans-32.5160.2170.1-52.40000118.9
82S27.4Very low34.8Very low108 Ų108142.3 Ų142.376%0.75577%0.771SS**  cis-164.3-135.6-19.1-88.70000106.8
83E34.3Very low34.7Very low179 Ų179145.2 Ų145.284%0.83678%0.777SS**  cis-154.2152.33.4-67.9-176.6122.700109.9
84E32.9Very low34.5Very low198 Ų198141.4 Ų141.493%0.92578%0.776SS**  trans62.5137.4160.5-150.3138.7-133.200119.3
85S35.2Very low34Very low86 Ų86142.2 Ų142.260%0.60178%0.776SS**  cis-145156.86.774.80000114.6
86T38.4Very low33.9Very low106 Ų106141.1 Ų141.165%0.6578%0.779SS**  trans45.8115.8145.4570000123
87D35Very low34Very low150 Ų150140 Ų14080%0.80277%0.774SS**  62.4147.9126.8-40.8-31.7000120.7
88D36.2Very low33.8Very low142 Ų142136.2 Ų136.276%0.75977%0.769SS**  cis-150.7161.55.3-155.7-22.3000112.2
89S38.1Very low33.7Very low90 Ų90138.7 Ų138.763%0.62978%0.778SS**  trans49.797.5148.8-74.20000122.7
90S37.1Very low33.6Very low120 Ų120141.9 Ų141.984%0.83978%0.782SS**  54.8149.1111.9-62.30000123.2
91P44.5Very low33.5Very low128 Ų128142.4 Ų142.483%0.83179%0.786SS**  trans-107.4158.6-15740.5-34.9000116.8
92A35.6Very low33.5Very low104 Ų104142.7 Ų142.786%0.8679%0.788SS**  trans-121.5158.2163.800000111.6
93K29.6Very low33.6Very low208 Ų208146.5 Ų146.590%0.90480%0.795SS**  trans-120.6146.3178.5-54.6169-1751700109.6
94C32.8Very low33.5Very low134 Ų134147.4 Ų147.491%0.90580%0.799SS**  trans-163.8166.7135-111.80000111.8
95Y27.5Very low33.5Very low204 Ų204144.4 Ų144.480%0.879%0.793SS**  trans-91.7159.1174.1-83.2-116.2000110.1
96D33.9Very low33.3Very low164 Ų164148.5 Ų148.588%0.87780%0.803SS**  -163.1179.1110.5-114.9-35.4000114.1
97F34.1Very low32.9Very low158 Ų158147.6 Ų147.669%0.69380%0.801SS**  trans-97.9169.4-165.1-104.6-110.5000116.3
98C30.3Very low32.8Very low96 Ų96147.4 Ų147.465%0.64981%0.806SS**  trans-19.9154.9168.8-52.10000119
99F30.2Very low32.5Very low190 Ų190148.1 Ų148.183%0.83381%0.809SS**  -162.3-178.558.2-121-85.7000114.7
100F28.9Very low32.2Very low183 Ų183147.9 Ų147.980%0.80381%0.813SS**  trans-62.2150.6174.5-75-109.1000114.5
101V30.7Very low32.1Very low139 Ų139149.5 Ų149.584%0.84281%0.812SS**  -178.2154.7104.5151.60000109.9
102S30.8Very low31.5Very low109 Ų109151.4 Ų151.476%0.76281%0.81SS**  trans-82.2141.8-176.1-38.10000114.1
103E30.1Very low31.4Very low189 Ų189152.3 Ų152.388%0.88381%0.807SS**  trans-172.5122139.9-113.6176.717200111
104E30.9Very low31.4Very low197 Ų197147.2 Ų147.292%0.92180%0.798SS**  trans-145.6117.9157.7-81.7-159.8149.500109.4
105V33.8Very low31.2Very low135 Ų135150.6 Ų150.682%0.81880%0.798SS**  trans-142.1136.3174.4165.80000108.4
106E30.8Very low31.4Very low173 Ų173148.8 Ų148.881%0.80880%0.796SS**  trans71.970.2161.7-149.3138.1-121.100119.6
107S29.2Very low31.4Very low87 Ų87147.1 Ų147.161%0.60878%0.783SS**  52.3136.8123.574.40000122.5
108T34.1Very low31.5Very low146 Ų146145.6 Ų145.690%0.89679%0.787SS**  trans-129.1143.2132.342.60000109.9
109N29.8Very low31.6Very low156 Ų156148.5 Ų148.583%0.83479%0.791SS**  trans-95.1142.2-174.5-72.6-70.5000112.4
110A31.9Very low31.4Very low86 Ų86147.7 Ų147.771%0.71179%0.787SS**  trans-168.6134.3138.200000114.2
111N33.4Very low31.6Very low153 Ų153148 Ų14882%0.81879%0.791SS**  trans6992.3146.1-58.2-15.2000122.1
112Q32.3Very low31.6Very low168 Ų168149 Ų14979%0.78578%0.784SS**  trans55.7137.6132.7-68.3-158.4-12.800122.9
113P33.7Very low31.6Very low123 Ų123149.7 Ų149.780%0.79978%0.778SS**  -110.2155.5122.436.1-31.8000111.9
114S30.9Very low31.7Very low102 Ų102149.8 Ų149.871%0.71378%0.776SS**  trans-123.3150.517354.80000111.5
115F27.5Very low31.8Very low205 Ų205144.9 Ų144.990%0.89976%0.763SS**  trans-114149.7176.5-89.8-90.9000110.6
116H32.2Very low31.6Very low165 Ų165147.2 Ų147.276%0.76477%0.765SS**  trans-163.8144.4174.1-136-85.1000107.8
117E32.8Very low31.6Very low130 Ų130144.2 Ų144.261%0.60776%0.763SS**  cis-166.1-166.4-27.7-166.116096.800108.3
118T36.3Very low31.7Very low126 Ų126149.1 Ų149.177%0.77377%0.774SS**  trans82.891.9176.468.60000114.4
119H32.5Very low31.7Very low157 Ų157147 Ų14773%0.72777%0.765SS**  73.3122.977.3-87.7-105.3000114.3
120F27.1Very low31.9Very low172 Ų172147.4 Ų147.475%0.75477%0.767SS**  cis89.1102.939.3-97.5-76000116.4
121E33.8Very low31.8Very low189 Ų189147.1 Ų147.188%0.88376%0.764SS**  trans-167.1140.1130.2-103.1178.6152.500107.5
122F29.6Very low31.8Very low161 Ų161147.9 Ų147.971%0.70677%0.767SS**  cis7313538.3-102.8-117.1000115.3
123I31.3Very low31.9Very low124 Ų124145.6 Ų145.664%0.63676%0.764SS**  cis-166.8179.8-27.4-143.7171.9000109.7
124K31.6Very low31.7Very low191 Ų191146 Ų14683%0.8376%0.764SS**  trans72.9152.8171.4-83.7164171.3176.80117.7
125S32.5Very low32Very low94 Ų94149.1 Ų149.166%0.65777%0.773SS**  cis-173.6143.6-24.349.60000114.3
126Q30.1Very low32.1Very low184 Ų184142 Ų14286%0.8676%0.757SS**  trans54.1115.9145.5-67-174.47.900122.2
127S31.5Very low32.2Very low109 Ų109142.1 Ų142.176%0.76276%0.764SS**  133.6143.4106.569.40000119.6
128K31.6Very low32.5Very low191 Ų191141.3 Ų141.383%0.8377%0.772SS**  trans60.798.9149.8-74.6-177175.4-177.30122.9
129S32.8Very low32.1Very low101 Ų101143.6 Ų143.671%0.70677%0.774SS**  39.7120.5112.765.30000122.8
130D33.8Very low32.3Very low164 Ų164143.6 Ų143.688%0.87778%0.778SS**  trans-143.6138.6133.4-91.2-42.5000105.8
131A31.1Very low32.5Very low80 Ų80141.3 Ų141.366%0.66178%0.778SS**  cis95.8155.545.400000112.6
132I33.6Very low32.4Very low170 Ų170136.1 Ų136.187%0.87278%0.776SS**  trans79125.5-172.9-55.3172.1000113.4
133V34.2Very low32.2Very low120 Ų120134.3 Ų134.373%0.72778%0.783SS**  cis-147159.1-6103.80000111.6
134T29.9Very low32.2Very low130 Ų130133.1 Ų133.180%0.79879%0.786SS**  trans-108.8139.3167.841.70000112.4
135N36.2Very low32.4Very low168 Ų168131.3 Ų131.390%0.89878%0.784SS**  trans-155.6144.8157-90.2-36.9000105
136G29.9Very low32.5Very low55 Ų55131.9 Ų131.957%0.56778%0.783SS**  cis148.1136.95.900000107.6
137N35.1Very low32.6Very low169 Ų169129.7 Ų129.790%0.90478%0.777SS**  trans76139.1-166.3-47.4-28.2000113.8
138S37.8Very low32.8Very low113 Ų113130.4 Ų130.479%0.7978%0.777SS**  cis-157.8147.7-9.344.40000111.9
139H28.3Very low33Very low174 Ų174126.7 Ų126.781%0.80677%0.77SS**  trans-66.1162.7160.5-97-114.3000111.8
140L36.5Very low33Very low157 Ų157129 Ų12982%0.82278%0.775SS**  trans144.299.4150.9-78.4171.2000107.5
141T30.8Very low33.2Very low123 Ų123125.4 Ų125.476%0.75576%0.76SS**  56.9118.57669.90000115.1
142G31.3Very low33.2Very low81 Ų81129.7 Ų129.784%0.83576%0.764SS**  trans155.794.7168.900000113.3
143S27Very low33.1Very low122 Ų122129.7 Ų129.785%0.85377%0.765SS**  trans-104.5178.8-177.8-51.60000112.9
144S30.2Very low33.1Very low99 Ų99129.2 Ų129.269%0.69276%0.762SS**  trans81.1147.9174.9-1410000113.5
145I36.4Very low33.1Very low153 Ų153131.7 Ų131.779%0.78577%0.765SS**  cis-138.3124.626.1-72163.7000106.9
146V33.7Very low33Very low106 Ų106131.1 Ų131.164%0.64276%0.762SS**  67.1131.465.2178.70000111.1
147D32.5Very low33.2Very low139 Ų139137.7 Ų137.774%0.74378%0.778SS**  cis-127.4-177.617.4-112.8-51.6000110.4
148V36.5Very low33.1Very low124 Ų124132.4 Ų132.475%0.75276%0.763SS**  -160.3121.352.8166.50000112.3
149T35.4Very low32.8Very low112 Ų112136.1 Ų136.169%0.68777%0.765SS**  trans54.913715563.30000124.9
150N31.9Very low33.2Very low150 Ų150133.4 Ų133.480%0.80276%0.76SS**  trans93.9144.7143.2-85.715.5000121.7
151P37.8Very low32.9Very low88 Ų88134.6 Ų134.657%0.57176%0.762SS**  trans-143.9-149.3-133.242.3-18.5000114.7
152F32.1Very low33.1Very low170 Ų170131.9 Ų131.975%0.74676%0.758SS**  trans72.7137.3-178.6-55.2-75.6000114.3V154F152-V154 HydrophobicContact CB-CG2 4.2Å; F152-V154 HydrophobicContact CD1-CG2 3.93Å; F152-V154 HydrophobicContact CG-CG2 4.29Å
153L31.2Very low33.1Very low171 Ų171135.7 Ų135.790%0.89576%0.758SS**  cis59.8720.3-82.9176.1000117.3
154V35.5Very low33.5Very low110 Ų110136.7 Ų136.767%0.66775%0.753SS**  trans-139120.6156162.10000102.9F152F152-V154 HydrophobicContact CB-CG2 4.2Å; F152-V154 HydrophobicContact CD1-CG2 3.93Å; F152-V154 HydrophobicContact CG-CG2 4.29Å
155E28.8Very low33.5Very low182 Ų182139.8 Ų139.885%0.8576%0.761SS**  70.3143.558.6-66-159.7156.500114.5
156D34.9Very low33.3Very low156 Ų156137.5 Ų137.583%0.83476%0.758SS**  trans61.183.6169.2-129.427.3000119.3G158D156-G158 PolarHBondContact O-N 3.42Å
157E34.2Very low33.1Very low193 Ų193136.6 Ų136.690%0.90276%0.761SS**  trans-72.364.9155.9-82.9-75.5172.900110.3
158G31.8Very low33.2Very low57 Ų57137 Ų13759%0.58876%0.764SS**  trans-97.577.6-177.100000113.3D156D156-G158 PolarHBondContact O-N 3.42Å
159F31.8Very low33Very low191 Ų191137.7 Ų137.784%0.83876%0.763SS**  trans-109.4118.7174.9-125.1-84.4000112.5
160V36.2Very low32.8Very low117 Ų117140 Ų14071%0.70977%0.766SS**  trans-114.5145.3-179.41670000109.8
161E31.6Very low32.7Very low183 Ų183141.3 Ų141.386%0.85577%0.765SS**  trans15103.2175-95.168.1-176.700118.5
162G35.1Very low32.4Very low65 Ų65142.6 Ų142.667%0.6777%0.771SS**  trans-135.125.3-172.500000118
163L30.9Very low32.3Very low161 Ų161138.6 Ų138.684%0.84376%0.764SS**  trans46.7109.6161.3-98.4170.3000119.7
164I34.4Very low32.2Very low144 Ų144138.6 Ų138.674%0.73876%0.759SS**  148.7110.8125.9-76.6153.6000110.3C166I164-C166 HydrophobicContact CG2-CB 4.35Å
165D31.1Very low31.9Very low163 Ų163137.5 Ų137.587%0.87276%0.756SS**  trans-135.4123.9153.9-160.4-4.3000106.8
166C31.2Very low32Very low106 Ų106138.1 Ų138.172%0.71676%0.757SS**  trans-14696.9-158.7-81.60000112.5I164I164-C166 HydrophobicContact CG2-CB 4.35Å
167A31.2Very low32.2Very low86 Ų86135.6 Ų135.671%0.71175%0.749SS**  trans-141.786.4172.100000112.3
168N34.4Very low31.9Very low148 Ų148132 Ų13279%0.79174%0.74SS**  174.5145.2121.8-90.4-38.5000115.3
169N31.6Very low31.7Very low139 Ų139135.9 Ų135.974%0.74375%0.747SS**  trans6684147.7-58.2-15000121.3
170H31.2Very low31.6Very low161 Ų161132.3 Ų132.375%0.74574%0.741SS**  32.5103.1105.1-128.6-73.9000117.8
171F30.5Very low31.4Very low177 Ų177131 Ų13178%0.77674%0.738SS**  170129.6113.1-107-90.8000114.3
172V31.5Very low31.5Very low114 Ų114129.8 Ų129.869%0.69174%0.737SS**  trans55113.4148.9167.80000121.6
173S28.8Very low31.4Very low87 Ų87133.5 Ų133.561%0.60875%0.746SS**  29.3151.8123-20.60000122.2
174H29.8Very low31.4Very low171 Ų171133 Ų13379%0.79274%0.743SS**  cis-156.1153.119.5-102.1-62.6000113
175S30Very low31.3Very low87 Ų87130.8 Ų130.861%0.60874%0.741SS**  trans64.1110.9143.1-57.50000124
176F29.3Very low31.4Very low195 Ų195128.5 Ų128.586%0.85574%0.737SS**  46156.2119.8-58.3-61.4000123.5
177P40.2Very low31.5Very low103 Ų103127 Ų12767%0.66974%0.741SS**  cis-143.6-160.5-3240-19.4000114.9
178T28.2Very low31.7Very low116 Ų116129.1 Ų129.171%0.71275%0.75SS**  trans83.9109.4151.335.70000124.1
179N26.3Very low31.5Very low139 Ų139128.9 Ų128.974%0.74375%0.747SS**  75.4119.4123.4-80.49.6000125.9
180T30.4Very low31.6Very low116 Ų116131.4 Ų131.471%0.71275%0.754SS**  74.7109.3129.358.80000123.9
181S32.8Very low31.6Very low91 Ų91131.8 Ų131.864%0.63676%0.756SS**  75120.1123.8700000123.7
182N31.9Very low31.7Very low156 Ų156127.7 Ų127.783%0.83475%0.749SS**  trans67.3155.5143.9-50.4-15000116.6
183V33.4Very low31.9Very low143 Ų143129.9 Ų129.987%0.86776%0.755SS**  cis-144.8172.534.1169.20000112
184L32.3Very low32Very low151 Ų151134 Ų13479%0.79177%0.765SS**  trans-74.6167-175-131.672000117.3
185S31.9Very low32.5Very low98 Ų98131.3 Ų131.369%0.68576%0.763SS**  trans73150.5148.1-74.20000120.1
186S33.6Very low32.6Very low114 Ų114136.5 Ų136.580%0.79777%0.774SS**  cis-168.1159.6-9.9-93.70000109.7
187G31.9Very low33.2Very low76 Ų76132.2 Ų132.278%0.78477%0.766SS**  trans167.789.2164.100000122.5
188S35.5Very low32.7Very low129 Ų129134.7 Ų134.790%0.90277%0.772SS**  trans68.9166.9147.4-147.10000121.9
189I30.7Very low32.7Very low144 Ų144138.6 Ų138.674%0.73878%0.776SS**  trans-144138.3-165.7-62.7165.2000110.3
190Q34.4Very low32.7Very low192 Ų192137.2 Ų137.290%0.89776%0.764SS**  trans-164.1155.7144.6-117.2169.9-6.900114.6
191H31Very low32.5Very low169 Ų169136.5 Ų136.578%0.78276%0.764SS**  trans-86.2179.6174.6-60.7-120.9000110.2
192S32.3Very low32.2Very low90 Ų90141.4 Ų141.463%0.62977%0.769SS**  cis-169.416219.1-145.30000113.8
193I34.8Very low32Very low160 Ų160140.4 Ų140.482%0.82176%0.762SS**  trans72.5154.7150.3-69.3155.7000119.6
194Q32Very low32Very low174 Ų174141.2 Ų141.281%0.81376%0.76SS**  trans-103.9-170.6-175-44.6-177.4-2.800111.4
195P39.8Very low31.8Very low115 Ų115137.4 Ų137.475%0.74775%0.746SS**  cis-137.7-176-3.639.9-18.7000117.4
196K32.9Very low32.2Very low195 Ų195138.6 Ų138.685%0.84875%0.751SS**  trans-29.2165.4161.2-85.4175.6-177.9175.60118.6
197P40.9Very low32.2Very low106 Ų106138.2 Ų138.269%0.68874%0.744SS**  cis-145.1-166.3-10.339.1-17.2000116.7
198I29Very low32Very low155 Ų155140.4 Ų140.480%0.79575%0.746SS**  trans91.2122.6152.3-71.9168.4000120.7
199Y29Very low31.8Very low198 Ų198138.8 Ų138.878%0.77674%0.735SS**  trans75.3160.6158-126.5-100.5000122.8
200E26.1Very low31.9Very low109 Ų109138.8 Ų138.851%0.50974%0.736SS.*  trans-84.6166.3-157-57.1-17883.300116.5R202E200-R202 IonicContact OE1-NH2 3.99Å
201S26.3Very low31.7Very low102 Ų102136.3 Ų136.371%0.71373%0.729SS**  trans79.115613671.80000119.6
202R27.4Very low31.9Very low193 Ų193133.8 Ų133.873%0.72873%0.73SS**  cis-175.9168.8-34-153.9-175.4-62.6-150.80.5106.2E200E200-R202 IonicContact OE1-NH2 3.99Å
203I27.4Very low32.1Very low136 Ų136135.4 Ų135.470%0.69774%0.736SS**  trans73.8145.6164.2-54.5148.7000111.7S205I203-S205 WeakPolarHBondContact CG2-OG 3.19Å
204I32.3Very low32Very low160 Ų160136 Ų13682%0.82173%0.733SS**  -173.2151.788.1-79.7164.8000108.1
205S27.7Very low32Very low70 Ų70133.2 Ų133.249%0.4972%0.724SS.*  cis-171.2177.2-29.2-74.60000105.9I203I203-S205 WeakPolarHBondContact CG2-OG 3.19Å
206P42.2Very low31.8Very low123 Ų123136.4 Ų136.480%0.79973%0.729SS**  -130.7119787.616.4000112.3
207T32.5Very low31.7Very low106 Ų106134.5 Ų134.565%0.6573%0.725SS**  79.411779.5580000117.1
208C28.8Very low31.3Very low123 Ų123135.8 Ų135.883%0.83173%0.73SS**  trans75.4150150.8-59.60000117.7
209S31Very low31.5Very low95 Ų95132.2 Ų132.266%0.66472%0.724SS**  cis-156.3144.118.3-114.50000114.1
210L33.1Very low31.8Very low144 Ų144131.3 Ų131.375%0.75473%0.731SS**  trans60.1167.9150.7-81.284.2000119.3
211N29Very low32.2Very low140 Ų140129.4 Ų129.475%0.74974%0.741SS**  cis-166.6169-40.2-106.9-1.5000109.5
212S34.9Very low32.7Very low116 Ų116132.1 Ų132.181%0.81175%0.747SS**  trans68.4143.9170.7-89.50000117
213T36.3Very low33.1Very low124 Ų124128.4 Ų128.476%0.76174%0.742SS**  cis-142.3144.4-7.842.30000107.4
214K34.1Very low33.6Very low171 Ų171129.9 Ų129.974%0.74375%0.745SS**  cis106.8111.721.8-173.5170.2179.6172.90114
215D31.2Very low33.7Very low117 Ų117126.6 Ų126.663%0.62674%0.737SS**  trans58.6153.8164.6-49.3-17.1000117.8
216Q35.9Very low34.2Very low181 Ų181129.4 Ų129.485%0.84675%0.751SS**  cis-128.7142.37.3-59.7163.719.400108.9
217M30.3Very low34.1Very low155 Ų155128.1 Ų128.176%0.76474%0.744SS**  84.1126.353.1-124.3-156.2-57.800116
218V33.6Very low34.4Very low134 Ų134130.6 Ų130.681%0.81275%0.753SS**  trans88.4138.7154.7178.10000120.8
219A33.5Very low34.8Very low79 Ų79129.4 Ų129.465%0.65375%0.752SS**  trans86.1108.1160.400000121.6
220L35Very low34.7Very low179 Ų179133.4 Ų133.494%0.93777%0.765SS**  33.2123.4119.9-50.8173.7000118.5
221G33.6Very low34.6Very low70 Ų70136.1 Ų136.172%0.72277%0.771SS**  cis158.5-169.3-2.200000113.1
222L36.9Very low34.6Very low159 Ų159138.6 Ų138.683%0.83278%0.776SS**  trans69.6107.6166.1-61.9172.3000119.5
223N35.8Very low34.4Very low115 Ų115140.8 Ų140.862%0.61577%0.773SS**  trans95.6101.2130.5-59.8-4.8000121.6
224H38.3Very low34.3Very low166 Ų166140.9 Ų140.977%0.76977%0.773SS**  trans63.4145.7141.2-52.6-55.3000120.2
225S35.2Very low34.6Very low92 Ų92140.1 Ų140.164%0.64378%0.778SS**  cis-158.2123.5-20.2-88.80000106.5
226V38.2Very low35.4Very low129 Ų129140.2 Ų140.278%0.78279%0.785SS**  55.595.599.3-176.20000115
227S38.3Very low35.5Very low95 Ų95138.7 Ų138.766%0.66478%0.78SS**  trans58.6129.1134-45.30000119.9
228N39.3Very low35.7Very low158 Ų158140.2 Ų140.285%0.84578%0.783SS**SBend44.5118.273.5-75.2-15000113.4
229A37.7Very low35.5Very low98 Ų98139.4 Ų139.481%0.8178%0.782SS**SBendtrans63.991.3-173.100000115.8
230L28.2Very low36Very low179 Ų179141.3 Ų141.394%0.93779%0.788SS**SBendtrans38.680.2151.6-81.6164.2000117.7
231K32Very low36.1Very low202 Ų202139.2 Ų139.288%0.87878%0.782SS**  trans-154.9172.7148-115.1152.3-171.9172.10113
232F29.5Very low36.1Very low192 Ų192143.5 Ų143.584%0.84278%0.781SS**  trans-92.1161.1-159.4-73.6-116.1000114.5
233H30.4Very low36Very low161 Ų161141.7 Ų141.775%0.74577%0.768SS**  trans80.2108.6153.9-90.6-82.1000122.5
234T34.2Very low36.1Very low126 Ų126143.7 Ų143.777%0.77377%0.771SS**  trans74.9139.6135.846.20000123.5
235N40.7Very low35.8Very low156 Ų156141 Ų14183%0.83477%0.767SS**  trans-116.8155.2-178.3-74.4-36.7000114.1
236P47.7Very low35.8Very low119 Ų119143.2 Ų143.277%0.77377%0.77SS**  trans-97.3171158.329.3-15.8000113.8
237I37.3Very low35.5Very low148 Ų148146.8 Ų146.876%0.75977%0.77SS**  trans-153.7141.7-162.8-96.6157.7000114.3
238K33.9Very low35.2Very low188 Ų188149.5 Ų149.582%0.81778%0.777SS**  trans125.2135.9162.4-78.1154.4-176.9173.40115.1
239C29.7Very low34.9Very low117 Ų117148.2 Ų148.279%0.79178%0.775SS**  cis80.7139.813.3-44.80000117.6
240P45.1Very low34.7Very low119 Ų119153.9 Ų153.977%0.77378%0.775SS**  -154.6157113.338.1-20.3000119.3
241V36.9Very low35.1Very low134 Ų134152.1 Ų152.181%0.81277%0.766SS**  trans70144.9147.4163.10000118.4
242K32.6Very low35.4Very low160 Ų160148 Ų14870%0.69676%0.757SS**  cis-158155.5-13-112.7-168.6167.3-171.40110.1
243E35.8Very low35.6Very low121 Ų121145.9 Ų145.957%0.56576%0.755SS**  54.114186.9-62.1-161.4146.700118
244K37.1Very low35.7Very low157 Ų157144.7 Ų144.768%0.68376%0.759SS**  cis-166.9142.74.8-116.8170.8179.1142.80115
245T33Very low35.6Very low111 Ų111147.2 Ų147.268%0.68176%0.762SS**  trans49.1125.6141.6-12.60000126
246L33.5Very low35.3Very low137 Ų137148 Ų14872%0.71776%0.761SS**  161.7137.2106.9-87.7174.4000118.1
247R32.8Very low34.6Very low204 Ų204150.1 Ų150.177%0.7776%0.76SS**  trans67.7121.2147.1-69.1172.4-178.1-177.80.8123.8
248N31.5Very low34.3Very low152 Ų152146.4 Ų146.481%0.81375%0.752SS**  trans52.7141.2138.1-52.4-0.8000119.8
249V33.5Very low34.2Very low132 Ų132149.3 Ų149.380%0.876%0.758SS**  cis-147.8147.736.4171.20000112.7
250R33.9Very low34.1Very low217 Ų217149 Ų14982%0.81976%0.757SS**  trans2.3135.1151-126.9174.3177.685.2-0.8117.8
251L36.6Very low33.4Very low142 Ų142152.4 Ų152.474%0.74377%0.765SS**  -158.5153.470-92159.1000116.2
252T38.1Very low33.1Very low114 Ų114151.5 Ų151.570%0.69976%0.764SS**  trans59.787.3159.650.90000121.3
253N33.6Very low33.5Very low149 Ų149149.4 Ų149.480%0.79777%0.767SS**  39.7110.7128-50.27.1000118.3
254T32.4Very low33.1Very low136 Ų136148.5 Ų148.583%0.83477%0.774SS**  cis93.7127.423.6-42.20000115.7
255E31.4Very low32.7Very low178 Ų178148.5 Ų148.583%0.83278%0.782SS**  trans-92.2161.3-177.5-47.9154.710600113.4
256Q34.4Very low32.5Very low173 Ų173150 Ų15081%0.80879%0.785SS**  trans175.2150.2136-95.4154.542.800108.6
257H32.9Very low32.5Very low163 Ų163149.4 Ų149.476%0.75579%0.787SS**  cis-14713328.3-139.8-82.6000113.9
258A32Very low32.1Very low71 Ų71147 Ų14759%0.58779%0.79SS**  trans44.2118.4146.500000123.9
259R31.8Very low32.1Very low248 Ų248147.7 Ų147.794%0.93679%0.791SS**  trans82.3115.7130-70178175.1178.1-2.3120.8
260S27.8Very low31.9Very low110 Ų110151.2 Ų151.277%0.76979%0.791SS**  trans-82.2162157.849.20000112.9
261M30.1Very low31.8Very low192 Ų192147.7 Ų147.795%0.94679%0.788SS**  trans-160162.1135.1-103.4174.780.600109.4
262S29.9Very low31.5Very low114 Ų114146.9 Ų146.980%0.79780%0.795SS**  trans-115.7171.1-153.2-49.80000113.7
263P40.8Very low31.2Very low117 Ų117145.7 Ų145.776%0.7679%0.791SS**  trans-96.2158.6-156.837.5-37.1000116.1
264S27.7Very low31.2Very low101 Ų101147.1 Ų147.171%0.70679%0.79SS**  trans175158.4140.5-78.70000111.1
265N29.2Very low31.2Very low158 Ų158146.2 Ų146.285%0.84578%0.78SS**  trans70.6159.5173.7-52.2-46.1000115.3
266L27.9Very low31.5Very low142 Ų142144.6 Ų144.674%0.74378%0.783SS**  cis-177.2158.4-26.7-176.389.6000105.5
267T33.2Very low31.4Very low125 Ų125142.5 Ų142.577%0.76778%0.777SS**  trans61.5118.2164.938.20000118.9
268D25.6Very low31.5Very low154 Ų154142.5 Ų142.582%0.82478%0.783SS**  trans-64.3147.7154.6-56.8-85000112.1
269I31.2Very low31.6Very low165 Ų165146.3 Ų146.385%0.84679%0.792SS**  trans-162.4105.7134.7-102.4153.9000110.4
270Y29.3Very low32.1Very low206 Ų206140.8 Ų140.881%0.80878%0.78SS**  trans49.9130.4132.1-110.4-129.4000123
271L31.5Very low32.5Very low143 Ų143142.4 Ų142.475%0.74978%0.78SS**  trans81.6103.8152.6-55.7174000120.4
272S30.8Very low32.9Very low126 Ų126140.5 Ų140.588%0.88177%0.768SS**  -153.9131104.7-168.10000110.8
273S32.2Very low33.1Very low88 Ų88141.7 Ų141.762%0.61577%0.766SS**  trans-113141.4-177.2-56.10000112.2
274K33.6Very low33.1Very low180 Ų180143.9 Ų143.978%0.78377%0.771SS**  trans-158.890150.7-134.8127.4-169.4172.80109.6
275D32.9Very low34Very low116 Ų116145.3 Ų145.362%0.6277%0.768SS**  79.287.381.4-65.1-11.7000113.2
276T37.6Very low34.7Very low145 Ų145147 Ų14789%0.8977%0.771SS**  trans-129.8114.6135.548.60000107.5
277N31.6Very low35.7Very low128 Ų128143.3 Ų143.368%0.68477%0.767SS**  trans-74.1136.5177.3-48.6-90.1000109.9
278D34.8Very low36.7Very low164 Ų164141.5 Ų141.588%0.87776%0.756SS**  trans-130.9125.9131.8-87.7-48.2000106.5
279L34.2Very low38.4Very low151 Ų151140.1 Ų140.179%0.79175%0.749SS**  trans-96.9118.7177.3-77.8164.1000108
280I43.3Very low40.2Very low132 Ų132137.8 Ų137.868%0.67774%0.737SS**  trans-119.4128.6160.6-61.8179.3000105.5E282I280-E282 HydrophobicContact CG2-CG 4.3Å; I280-E282 PolarHBondContact O-N 3.48Å
281D34.4Very low42.2Very low144 Ų144133.9 Ų133.977%0.7773%0.73SS**  trans-78.1100.7179.6-55.7-61.3000108.8
282E38.7Very low43.9Very low151 Ų151132.7 Ų132.771%0.70672%0.72SS**  trans-99.853.5177.5-66-71.8163.400111I280I280-E282 HydrophobicContact CG2-CG 4.3Å; I280-E282 PolarHBondContact O-N 3.48Å
283D35.6Very low45.9Very low140 Ų140131.8 Ų131.875%0.74971%0.705SS**  trans-84.6153.9155.6-76-47.5000108.6
284D40.2Very low48.1Very low162 Ų162132 Ų13287%0.86670%0.698SS**SBendtrans78.646.5173.4-61.9-24.1000120.5
285M46Very low50.1Low131 Ų131126 Ų12665%0.64568%0.679SS**  trans-132.7-7.9166.4-83-57.3-56.100119.5G287M285-G287 PolarHBondContact O-N 3.36Å
286E44.9Very low51.9Low194 Ų194124.6 Ų124.691%0.90767%0.671SS**THydrogen-bonded Turntrans-69.6-2.9-177.1-68.1-166.7139.200115.6
287G48.3Very low53.8Low64 Ų64119.3 Ų119.366%0.6664%0.64SS**THydrogen-bonded Turntrans-77.4-22.7-173.900000116.4M285M285-G287 PolarHBondContact O-N 3.36Å
288T54.2Low56Low87 Ų87117.5 Ų117.553%0.53463%0.631SS.*THydrogen-bonded Turntrans-96.5-32.5-17142.20000114.8L290 L291 H292T288-L290 PolarHBondContact O-N 3.02Å; T288-L291 PolarHBondContact O-N 3.08Å; T288-H292 PolarHBondContact O-N 3.18Å; T288-H292 VanDerWaalsContact O-N 3.09Å
289D60.3Low57.7Low125 Ų125114 Ų11467%0.66861%0.611SS**Hα-helixtrans-70.7-36.6-165.9-151.532.2000112.3L291 H292 L293D289-L291 PolarHBondContact O-N 3.02Å; D289-H292 PolarHBondContact O-N 2.92Å; D289-L293 WeakPolarHBondContact O-CB 3.37Å; D289-L293 PolarHBondContact O-N 2.8Å
290L69.4Low59.4Low116 Ų116114.2 Ų114.261%0.60760%0.602SS**Hα-helixtrans-62.9-39.7175.2-175.363.4000112.6T288 I294T288-L290 PolarHBondContact O-N 3.02Å; L290-I294 HydrophobicContact CD1-CD1 4.32Å; L290-I294 HydrophobicContact CG-CD1 4.02Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.36Å; L290-I294 WeakPolarHBondContact O-CG1 3.48Å; L290-I294 PolarHBondContact O-N 3.2Å
291L71.8Confident61Low124 Ų124112 Ų11265%0.64959%0.588SS**Hα-helixtrans-69.1-36.5175.2-73.5176.1000111.5T288 D289 I294 S295T288-L291 PolarHBondContact O-N 3.08Å; D289-L291 PolarHBondContact O-N 3.02Å; L291-I294 PolarHBondContact O-N 2.96Å; L291-S295 PolarHBondContact O-N 3.1Å
292H67.3Low62.5Low118 Ų118108.2 Ų108.255%0.54657%0.567SS.*Hα-helixtrans-69.3-37177.8-144.1-27.9000112T288 D289 N296T288-H292 PolarHBondContact O-N 3.18Å; T288-H292 VanDerWaalsContact O-N 3.09Å; D289-H292 PolarHBondContact O-N 2.92Å; H292-N296 WeakPolarHBondContact O-CB 3.47Å; H292-N296 PolarHBondContact O-N 3.36Å; H292-N296 PolarHBondContact O-ND2 2.98Å
293L72.7Confident64Low107 Ų107104.2 Ų104.256%0.5656%0.56SS**Hα-helixtrans-65.6-45.6172.4-174.463.4000111.7D289 S295 N296 S297D289-L293 WeakPolarHBondContact O-CB 3.37Å; D289-L293 PolarHBondContact O-N 2.8Å; L293-S295 PolarHBondContact O-N 3.44Å; L293-N296 PolarHBondContact O-N 3.17Å; L293-S297 PolarHBondContact O-N 3.21Å; L293-S297 PolarHBondContact O-OG 3.3Å
294I78.7Confident65.7Low93 Ų93102.2 Ų102.248%0.47755%0.548SS..Hα-helixtrans-60.7-43.7175-71.2165.1000110.9L290 L291 S297 L298L290-I294 HydrophobicContact CD1-CD1 4.32Å; L290-I294 HydrophobicContact CG-CD1 4.02Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 WeakPolarHBondContact O-CD1 3.36Å; L290-I294 WeakPolarHBondContact O-CG1 3.48Å; L290-I294 PolarHBondContact O-N 3.2Å; L291-I294 PolarHBondContact O-N 2.96Å; I294-S297 PolarHBondContact O-N 3.38Å; I294-L298 VanDerWaalsContact O-CB 3.28Å; I294-L298 WeakPolarHBondContact O-CB 3.44Å; I294-L298 PolarHBondContact O-N 3.48Å
295S74.8Confident66.8Low54 Ų5497.7 Ų97.738%0.37853%0.527SS..Hα-helixtrans-61.6-49.8175.5-163.10000111.3L291 L293 S297 L298 D299L291-S295 PolarHBondContact O-N 3.1Å; L293-S295 PolarHBondContact O-N 3.44Å; S295-S297 VanDerWaalsContact C-N 3.3Å; S295-S297 PolarHBondContact O-N 3.2Å; S295-L298 CarbonylContact O-C 3.6Å; S295-L298 PolarHBondContact O-N 3.48Å; S295-L298 VanDerWaalsContact O-N 3.11Å; S295-D299 WeakPolarHBondContact O-CB 3.34Å; S295-D299 PolarHBondContact O-N 3.23Å; S295-D299 VanDerWaalsContact O-OD2 3.08Å; S295-D299 PolarHBondContact OG-OD2 2.79Å
296N70.9Confident67.3Low86 Ų8697.8 Ų97.846%0.4653%0.525SS..Hα-helixtrans-58.9-40.1179.1-78.2-30.6000112.4H292 L293 R300H292-N296 WeakPolarHBondContact O-CB 3.47Å; H292-N296 PolarHBondContact O-N 3.36Å; H292-N296 PolarHBondContact O-ND2 2.98Å; L293-N296 PolarHBondContact O-N 3.17Å; N296-R300 WeakPolarHBondContact O-CB 3.37Å; N296-R300 VanDerWaalsContact O-CG 3.23Å; N296-R300 WeakPolarHBondContact O-CG 3.45Å; N296-R300 PolarHBondContact O-N 3.19Å
297S77.3Confident67.3Low34 Ų3492.8 Ų92.824%0.23851%0.51CS..Hα-helixtrans-69.2-39.1175.4-69.40000112.5L293 I294 S295 R300 F301L293-S297 PolarHBondContact O-N 3.21Å; L293-S297 PolarHBondContact O-OG 3.3Å; I294-S297 PolarHBondContact O-N 3.38Å; S295-S297 VanDerWaalsContact C-N 3.3Å; S295-S297 PolarHBondContact O-N 3.2Å; S297-R300 PolarHBondContact O-N 3.46Å; S297-F301 WeakPolarHBondContact O-CB 3.5Å; S297-F301 PolarHBondContact O-N 3.08Å
298L77.7Confident66.9Low91 Ų91100.2 Ų100.248%0.47652%0.518SS..Hα-helixtrans-68.1-39.4176.3-176.660.6000112.1I294 S295 F301 N302I294-L298 VanDerWaalsContact O-CB 3.28Å; I294-L298 WeakPolarHBondContact O-CB 3.44Å; I294-L298 PolarHBondContact O-N 3.48Å; S295-L298 CarbonylContact O-C 3.6Å; S295-L298 PolarHBondContact O-N 3.48Å; S295-L298 VanDerWaalsContact O-N 3.11Å; L298-F301 PolarHBondContact O-N 3.36Å; L298-N302 WeakPolarHBondContact O-CB 3.31Å; L298-N302 PolarHBondContact O-N 3.21Å; L298-N302 PolarHBondContact O-ND2 3.39Å
299D70.9Confident66Low89 Ų89102.8 Ų102.848%0.47653%0.528SS..Hα-helixtrans-67.4-38.7175.9-73.2-46.8000111.6S295 A303S295-D299 WeakPolarHBondContact O-CB 3.34Å; S295-D299 PolarHBondContact O-N 3.23Å; S295-D299 VanDerWaalsContact O-OD2 3.08Å; S295-D299 PolarHBondContact OG-OD2 2.79Å; D299-A303 WeakPolarHBondContact O-CB 3.35Å; D299-A303 PolarHBondContact O-N 2.93Å
300R71Confident65Low156 Ų156102.3 Ų102.359%0.58953%0.526SS*.Hα-helixtrans-65.5-40.9171.1-71.2175.884.3-130.32111.8N296 S297 A303 I304N296-R300 WeakPolarHBondContact O-CB 3.37Å; N296-R300 VanDerWaalsContact O-CG 3.23Å; N296-R300 WeakPolarHBondContact O-CG 3.45Å; N296-R300 PolarHBondContact O-N 3.19Å; S297-R300 PolarHBondContact O-N 3.46Å; R300-A303 PolarHBondContact O-N 3.33Å; R300-I304 WeakPolarHBondContact O-CD1 3.41Å; R300-I304 WeakPolarHBondContact O-CG1 3.49Å; R300-I304 PolarHBondContact O-N 2.67Å
301F75.4Confident63.2Low87 Ų87104.1 Ų104.138%0.38253%0.534SS..Hα-helixtrans-63.6-46.2174.9-179.5-99.4000111.8S297 L298 A303 I304 V305 L523S297-F301 WeakPolarHBondContact O-CB 3.5Å; S297-F301 PolarHBondContact O-N 3.08Å; L298-F301 PolarHBondContact O-N 3.36Å; F301-A303 VanDerWaalsContact C-N 3.3Å; F301-A303 PolarHBondContact O-N 3.05Å; F301-I304 WeakPolarHBondContact O-CB 3.46Å; F301-I304 PolarHBondContact O-N 2.99Å; F301-V305 HydrophobicContact CD1-CG2 4.13Å; F301-V305 HydrophobicContact CD2-CG2 4.33Å; F301-V305 HydrophobicContact CE1-CG2 3.73Å; F301-V305 HydrophobicContact CE2-CG2 3.94Å; F301-V305 HydrophobicContact CG-CG2 4.42Å; F301-V305 HydrophobicContact CZ-CG2 3.64Å; F301-V305 WeakPolarHBondContact O-CG2 3.46Å; F301-V305 PolarHBondContact O-N 3.02Å; F301-L523 HydrophobicContact CD2-CD2 4.2Å; F301-L523 HydrophobicContact CE2-CD2 3.75Å
302N67.5Low61.2Low63 Ų63102.9 Ų102.934%0.33754%0.536SS..Hα-helixtrans-60.8-37176-72.8-26.8000112L298 I304 H306L298-N302 WeakPolarHBondContact O-CB 3.31Å; L298-N302 PolarHBondContact O-N 3.21Å; L298-N302 PolarHBondContact O-ND2 3.39Å; N302-I304 VanDerWaalsContact C-N 3.27Å; N302-I304 PolarHBondContact O-N 3.24Å; N302-H306 WeakPolarHBondContact O-CA 3.26Å; N302-H306 WeakPolarHBondContact O-CB 3.14Å; N302-H306 PolarHBondContact O-N 3.3Å
303A70Confident59.4Low68 Ų68103.1 Ų103.156%0.56255%0.546SS*.Hα-helixtrans-68.5-22174.700000114D299 R300 F301D299-A303 WeakPolarHBondContact O-CB 3.35Å; D299-A303 PolarHBondContact O-N 2.93Å; R300-A303 PolarHBondContact O-N 3.33Å; F301-A303 VanDerWaalsContact C-N 3.3Å; F301-A303 PolarHBondContact O-N 3.05Å
304I70.7Confident57.3Low97 Ų97106.2 Ų106.250%0.49756%0.562SS.*Hα-helixtrans-87.3-41.4175.8-66.7163.1000111.1R300 F301 N302R300-I304 WeakPolarHBondContact O-CD1 3.41Å; R300-I304 WeakPolarHBondContact O-CG1 3.49Å; R300-I304 PolarHBondContact O-N 2.67Å; F301-I304 WeakPolarHBondContact O-CB 3.46Å; F301-I304 PolarHBondContact O-N 2.99Å; N302-I304 VanDerWaalsContact C-N 3.27Å; N302-I304 PolarHBondContact O-N 3.24Å
305V62.5Low55.1Low68 Ų68108.7 Ų108.741%0.41258%0.582SS.*Hα-helixtrans-79.3-31.4-179.1175.80000112.3F301 P307F301-V305 HydrophobicContact CD1-CG2 4.13Å; F301-V305 HydrophobicContact CD2-CG2 4.33Å; F301-V305 HydrophobicContact CE1-CG2 3.73Å; F301-V305 HydrophobicContact CE2-CG2 3.94Å; F301-V305 HydrophobicContact CG-CG2 4.42Å; F301-V305 HydrophobicContact CZ-CG2 3.64Å; F301-V305 WeakPolarHBondContact O-CG2 3.46Å; F301-V305 PolarHBondContact O-N 3.02Å; V305-P307 VanDerWaalsContact C-CD 3.44Å; V305-P307 WeakPolarHBondContact O-CD 3.48Å
306H56.9Low53.3Low132 Ų132111.3 Ų111.361%0.61160%0.6SS**SBendtrans-121.871.8175.8-59.3-52000110.3N302 R308N302-H306 WeakPolarHBondContact O-CA 3.26Å; N302-H306 WeakPolarHBondContact O-CB 3.14Å; N302-H306 PolarHBondContact O-N 3.3Å; H306-R308 PolarHBondContact O-N 3.48Å
307P45.5Very low51.4Low90 Ų90110.9 Ų110.958%0.58462%0.616SS**  trans-56.4124.6166.826.9-34000108V305 D309V305-P307 VanDerWaalsContact C-CD 3.44Å; V305-P307 WeakPolarHBondContact O-CD 3.48Å; P307-D309 PolarHBondContact O-N 3.49Å
308R40.3Very low49.1Very low219 Ų219118 Ų11883%0.82665%0.651SS**  trans-63.7123.4-178.8-75.9-177.4174166.6-1.1109.9H306 N310H306-R308 PolarHBondContact O-N 3.48Å; R308-N310 PolarHBondContact O-N 2.87Å
309D35.5Very low47Very low141 Ų141117.1 Ų117.175%0.75466%0.663SS**  trans-68.451.8169-71.9-52.9000112.8P307 I311P307-D309 PolarHBondContact O-N 3.49Å; D309-I311 PolarHBondContact O-N 3.33Å
310N38.5Very low45.2Very low115 Ų115122.7 Ų122.762%0.61569%0.686SS**  trans-77.754.6168.4-80.510.5000110.1R308 S312R308-N310 PolarHBondContact O-N 2.87Å; N310-S312 PolarHBondContact O-N 2.95Å
311I31.6Very low43.1Very low154 Ų154120.2 Ų120.279%0.7969%0.693SS**THydrogen-bonded Turntrans-75.762.3173.3-48.5179.2000108.7D309D309-I311 PolarHBondContact O-N 3.33Å
312S28.7Very low41Very low99 Ų99127.8 Ų127.869%0.69272%0.719SS**THydrogen-bonded Turntrans-145.3-6.8-177.358.80000114.9N310N310-S312 PolarHBondContact O-N 2.95Å
313T30.8Very low39.3Very low122 Ų122132.2 Ų132.275%0.74874%0.743SS**SBendtrans-147.791.8165.750.60000112.1
314L28.2Very low37.3Very low173 Ų173136.1 Ų136.191%0.90675%0.751SS**  trans177.786.7147.2-100.7170.1000109.4
315T32.1Very low35.5Very low144 Ų144139.7 Ų139.788%0.88377%0.77SS**  trans-141.780.2173.2-177.60000110.8
316S36.4Very low34Very low109 Ų109142 Ų14276%0.76279%0.789SS**SBendtrans-161.275.3173.459.60000112
317G31Very low32.5Very low77 Ų77145.2 Ų145.279%0.79481%0.805SS**  trans63.7115.9151.300000120.1
318L30.1Very low31.7Very low185 Ų185146 Ų14697%0.96981%0.813SS**  trans-69.9146.8144.8-77.578.7000108.8
319G33.2Very low31.2Very low71 Ų71144.3 Ų144.373%0.73281%0.814SS**  trans-169.753.6-173.800000116.5
320E32.8Very low31.1Very low206 Ų206142 Ų14296%0.96381%0.809SS**  trans64170.4161.6-63.5179.5115.200118.5
321S27.7Very low30.7Very low105 Ų105142.5 Ų142.573%0.73482%0.82SS**  trans-125.1165.3-16062.40000114.1
322R31.5Very low30.4Very low245 Ų245143 Ų14393%0.92583%0.825SS**  trans90.8129.4-168.5-55.6154.7172.8168.3-2.8111.4
323N32.3Very low30.6Very low156 Ų156143.7 Ų143.783%0.83483%0.829SS**  cis-134.9178.133.5-157.47.6000114
324M28Very low30.6Very low151 Ų151148.8 Ų148.874%0.74484%0.836SS**  trans-89.7170.5176.1-66.3-96.875.200113.1
325L32Very low30.6Very low172 Ų172144.7 Ų144.790%0.90182%0.822SS**  trans87.7129.4164.8-51.9-177.6000117.4
326S30.6Very low30.7Very low116 Ų116144.8 Ų144.881%0.81181%0.813SS**  trans-82.8151.8-179.8-390000112.1
327E25Very low30.5Very low199 Ų199145.7 Ų145.793%0.9381%0.809SS**  trans-104.6131.8156.8-67.1-173.1154.600109.4
328S29.5Very low30.6Very low108 Ų108147.4 Ų147.476%0.75581%0.807SS**  trans-158.6141.6173.359.40000112
329E30Very low30.8Very low182 Ų182146 Ų14685%0.8580%0.8SS**  trans68.4137.2-168.1-79.6-136.1-125.400116.7
330S33.6Very low30.5Very low93 Ų93151 Ų15165%0.6580%0.802SS**  cis-156.6-68.9-19.944.30000114.8
331C28.9Very low31Very low125 Ų125146.2 Ų146.285%0.84579%0.788SS**  trans-147.3158.1-162.7-87.90000116.5
332N27Very low31.5Very low166 Ų166146.5 Ų146.589%0.88879%0.786SS**  trans-63.7131.7-174.9-60.2-59.2000115
333S32.2Very low31.7Very low113 Ų113140.9 Ų140.979%0.7977%0.774SS**  trans-164.1110.5134.661.80000114.4
334Y30.6Very low32.2Very low229 Ų229139.1 Ų139.190%0.89877%0.769SS**  trans43.7125.9141.6-116.2-109000122.9
335S29.1Very low32.6Very low87 Ų87137 Ų13761%0.60876%0.764SS**  trans92.1158.8136.5-112.50000122.8
336Q34.3Very low32.8Very low146 Ų146131.5 Ų131.568%0.68274%0.738SS**  trans75.593.8168-96.257.765.500120.3
337D31.7Very low33Very low128 Ų128135 Ų13568%0.68474%0.738SS**  76.6126.4119.2-59.1-2.2000124.3
338C32.9Very low33.9Very low112 Ų112131 Ų13176%0.75773%0.73SS**  trans71.3146.6144.1-65.80000120.1
339L33.4Very low34.3Very low156 Ų156129.6 Ų129.682%0.81772%0.724SS**  cis-160.5145.1-16-120.1165.1000109
340F27.7Very low34.6Very low177 Ų177127.3 Ų127.378%0.77672%0.723SS**  trans-73.3162.4158-69.9-93.6000109.4
341P42.8Very low34.7Very low104 Ų104130.6 Ų130.668%0.67573%0.732SS**  -150.9142.395.147.3-31000113.9
342T38Very low34.7Very low111 Ų111132 Ų13268%0.68173%0.73SS**  821529968.70000115.9
343D36.9Very low34.9Very low127 Ų127129.6 Ų129.668%0.67973%0.726SS**  cis-169.5177.30.8-124.9-24.8000116.3
344V41.4Very low34.8Very low120 Ų120128.8 Ų128.873%0.72773%0.726SS**  trans69.6142139157.70000119.8
345V37.4Very low34.9Very low107 Ų107125.2 Ų125.265%0.64872%0.723SS**  cis-169.1125.9-11.4130.70000104.9
346T36.8Very low35.1Very low56 Ų56131.1 Ų131.134%0.34473%0.732SS.*  64.2143.169.974.70000119.1N365T346-N365 WeakPolarHBondContact CG2-O 3.46Å
347K34.4Very low35Very low189 Ų189130.8 Ų130.882%0.82273%0.73SS**  trans92.2163.5135.5-87.7167.3-180173.70120.2
348P44.2Very low35Very low116 Ų116133.8 Ų133.875%0.75373%0.733SS**  -148.2-172.1-61.339.3-17.7000116.9
349A36.9Very low35Very low77 Ų77136.4 Ų136.464%0.63673%0.732SS**  115.7124.9127.800000122.9
350T36.4Very low35Very low135 Ų135136.2 Ų136.283%0.82873%0.731SS**  trans64.1154.6141.4570000119.7
351I35.1Very low35.2Very low161 Ų161133 Ų13383%0.82673%0.73SS**  cis-129.7175.110.9-64.9174.4000110.7
352L30.4Very low34.7Very low156 Ų156135.6 Ų135.682%0.81774%0.738SS**  trans-63.5163.5178.3-59.7159.5000117.5
353S29.8Very low34.4Very low114 Ų114136.3 Ų136.380%0.79774%0.742SS**  trans88.7136.5149.3-60.90000121.2
354A30.8Very low34.3Very low96 Ų96137.8 Ų137.879%0.79375%0.747SS**  trans71.5139.7164.800000119.7
355D32Very low33.9Very low155 Ų155137.3 Ų137.383%0.82974%0.74SS**  trans39.3136159.9-67-22.7000123.9
356R34Very low33.9Very low211 Ų211138.7 Ų138.780%0.79674%0.743SS**  trans60.3113.3146.2-81.6-172.6138.1128.91121.6
357E31.8Very low33.8Very low138 Ų138138.8 Ų138.865%0.64576%0.755SS**  67.6113.8119.5-67.7-173.5107.600121.2
358Y32.7Very low34Very low192 Ų192136.4 Ų136.475%0.75375%0.751SS**  trans80.693.3143.5-80-108000122.4
359K33.1Very low33.5Very low166 Ų166139.2 Ų139.272%0.72275%0.752SS**  72.3106.5105.6-174-173.7-177.8-178.60120.5
360L31.7Very low33.3Very low153 Ų153143 Ų14380%0.80176%0.76SS**  175.4146.1117.8-104.6138000116.3
361S32.1Very low33.1Very low108 Ų108142.4 Ų142.476%0.75576%0.756SS**  trans79.6154.6155-58.40000122.2
362N32.6Very low32.8Very low159 Ų159143 Ų14385%0.8576%0.755SS**  trans-121.7163.8-165.3-68.1-29000114.4
363V32.1Very low32.9Very low127 Ų127144.4 Ų144.477%0.7776%0.755SS**  166120.4129154.60000116.1
364M33.6Very low33.1Very low157 Ų157147.7 Ų147.777%0.77376%0.757SS**  trans51.2135.2142-58.6-176.5177.700128.2
365N34Very low33.8Very low110 Ų110148.6 Ų148.659%0.58876%0.755SS**  59.5153.2128-72.82.3000124.5T346T346-N365 WeakPolarHBondContact CG2-O 3.46Å
366I37.6Very low33.9Very low136 Ų136147.3 Ų147.370%0.69775%0.748SS**  cis-162.5167.3-23.1-128.3171.6000113
367G35.2Very low33.8Very low58 Ų58145.4 Ų145.460%0.59875%0.748SS**  trans108.317416000000115.9
368N37.2Very low34Very low139 Ų139144.2 Ų144.274%0.74376%0.755SS**  cis178.9146.5-11-102.4-27.3000106.3
369K33.6Very low34.1Very low176 Ų176139.7 Ų139.777%0.76575%0.751SS**  cis-148.8-173.33.4-60.4-172.5-177.1177.70107.3
370L34.2Very low33.9Very low156 Ų156138.8 Ų138.882%0.81775%0.754SS**  -172.7149.7-54-16875.3000108.6
371V31.1Very low33.9Very low122 Ų122138.2 Ų138.274%0.73975%0.751SS**  trans71128.6172-160.20000115.8
372Q28.9Very low33.6Very low173 Ų173141.8 Ų141.881%0.80875%0.753SS**  cis-148.91752.4-138.3175.542.800111.8
373K33.6Very low33.5Very low186 Ų186141.7 Ų141.781%0.80975%0.751SS**  trans81.9148172.9-66.9-173.9174.5-179.40119.2
374H33.7Very low33.3Very low184 Ų184143 Ų14385%0.85275%0.754SS**  trans-54.5153.2165.1-45.1-99.2000111.5
375P45.7Very low33.1Very low114 Ų114141 Ų14174%0.7476%0.755SS**  -131.6-155.661.743.1-28.5000111.8
376N34.3Very low32.9Very low128 Ų128144.5 Ų144.568%0.68477%0.768SS**  cis-151.5164.7-1.5-130.48000106.1
377H30.4Very low32.7Very low172 Ų172143.4 Ų143.480%0.79677%0.768SS**  cis76.198.815.7-66.5-88.5000118.5
378S35.9Very low32.6Very low112 Ų112148.1 Ų148.178%0.78377%0.774SS**  trans176.7135.3160.3-75.90000108.1
379S35.3Very low32.6Very low97 Ų97148.1 Ų148.168%0.67877%0.77SS**  cis-153.7138.2-3.9-81.30000107.2
380L29.2Very low32.6Very low148 Ų148146 Ų14678%0.77577%0.771SS**  60.1128.274.3-64.5-179.7000112.4
381L31Very low32.6Very low141 Ų141142.1 Ų142.174%0.73877%0.77SS**  cis-146.7146.45.8-84.8133.9000108.6
382F26.3Very low32.7Very low183 Ų183147.4 Ų147.480%0.80378%0.776SS**  80.8140.369.8-120.6-77.2000115.9
383L30.8Very low32.9Very low157 Ų157147.8 Ų147.882%0.82278%0.776SS**  trans86.8159.2172.4-56.5176.8000118.8
384N27.9Very low33Very low153 Ų153144.9 Ų144.982%0.81877%0.768SS**  trans-119162-156.3-68.8-28.2000114.2
385S28.9Very low33Very low115 Ų115143.5 Ų143.580%0.80476%0.762SS**  trans89132.8148.1-59.90000121
386E29.6Very low32.4Very low185 Ų185143.5 Ų143.586%0.86476%0.76SS**  trans99.4155.8137.9-142.2149.2-124.600120
387V34.5Very low32.3Very low113 Ų113144.2 Ų144.269%0.68576%0.764SS**  trans79.995.4167.6-172.30000119.3
388E32.5Very low32.5Very low157 Ų157143.8 Ų143.873%0.73477%0.768SS**  63164.5128.6-61.1-163.112000121.3
389Q37Very low32.5Very low138 Ų138143.3 Ų143.365%0.64577%0.765SS**  cis-157.3155.5-6.2-125.5172.23700111.5
390T33.6Very low32.5Very low131 Ų131142.8 Ų142.880%0.80476%0.761SS**  trans39.2139.6149.761.50000124.8
391G34Very low32.9Very low76 Ų76145.3 Ų145.378%0.78476%0.761SS**  trans170.1147.6154.500000115
392R34.5Very low33Very low233 Ų233144.6 Ų144.688%0.87976%0.763SS**  trans-143148.5175.7-65-173.5-171.3-148.16.2111.5
393F32.4Very low33.4Very low180 Ų180142.7 Ų142.779%0.78977%0.767SS**  163.7131.5123.3-104.4-112000112.4
394L35.6Very low33.5Very low126 Ų126140.7 Ų140.766%0.6676%0.761SS**  trans23.9144.3133-71.4152.6000120.7
395E33.3Very low33.8Very low155 Ų155142.5 Ų142.572%0.72476%0.762SS**  cis-168.4164-2.7-153.6167.8-15300112.7
396T34.6Very low34Very low113 Ų113142.8 Ų142.869%0.69376%0.759SS**  trans71.2135.6164.1690000122.7
397N31.9Very low34.1Very low144 Ų144139.4 Ų139.477%0.7776%0.756SS**  trans70.7116.2149.5-63-15.7000123.3
398N34.4Very low33.8Very low162 Ų162139.4 Ų139.487%0.86676%0.76SS**  trans75129148.4-69.2-14.8000122.5
399S35Very low33.8Very low103 Ų103137.9 Ų137.972%0.7277%0.766SS**  trans80.587.2142.6-172.30000121.7
400S35.4Very low33.7Very low86 Ų86135.6 Ų135.660%0.60177%0.766SS**  86.3153.4119.4-46.20000121.5
401Y37.8Very low33.7Very low200 Ų200139 Ų13978%0.78477%0.769SS**  trans65.482.5167.5-55.3-66.8000117.6
402T33.3Very low33.6Very low127 Ų127138.6 Ų138.678%0.77977%0.765SS**  75.488.472.468.80000116.2
403T33.8Very low33.6Very low143 Ų143139.3 Ų139.388%0.87777%0.768SS**  trans-142.7165160.7-27.20000109.4
404T33.7Very low33.5Very low115 Ų115138.4 Ų138.471%0.70677%0.77SS**  trans-124.5148.5-164.465.90000115
405K34.3Very low33.8Very low190 Ų190137.4 Ų137.483%0.82677%0.771SS**  trans72.1143166.7-58.7169.7-176.6174.40115
406T34Very low33.7Very low121 Ų121137.8 Ų137.874%0.74278%0.778SS**  cis-159.2150.41.6-10000112.3
407S30.2Very low33.6Very low115 Ų115136.9 Ų136.980%0.80478%0.776SS**  trans64154.1162.366.20000117.1
408C29.4Very low33.5Very low113 Ų113137.6 Ų137.676%0.76478%0.779SS**  cis-134.9172.120.7-83.50000113.8
409S32Very low33.1Very low124 Ų124134.8 Ų134.887%0.86777%0.772SS**  trans58.4143.3179.364.10000116.7
410S35.4Very low32.9Very low91 Ų91141.1 Ų141.164%0.63678%0.782SS**SBendcis-133.8156.913.7-151.90000113
411F33.1Very low32.5Very low202 Ų202141.9 Ų141.989%0.88679%0.787SS**  trans23.9125.3173.9-54.4-70.6000120.4
412G32.1Very low32.2Very low67 Ų67143.1 Ų143.169%0.69179%0.792SS**  cis118.699.2-2.200000114.6
413R34.2Very low32.1Very low249 Ų249141.8 Ų141.894%0.9479%0.788SS**  trans74.6104.5162.3-64.9-174.5-179.5-101.51.5120.3
414L31Very low31.9Very low161 Ų161142.6 Ų142.684%0.84379%0.787SS**  -66.8169.6122.6-71.9167000109.9
415P40.5Very low31.8Very low104 Ų104145.1 Ų145.168%0.67579%0.791SS**  cis-130.4178.63.435.6-16.6000114.2
416L32.6Very low31.9Very low164 Ų164141.8 Ų141.886%0.85979%0.786SS**  175.6160.1115.9-92.5171.1000113.9
417S32.3Very low32.1Very low94 Ų94141.1 Ų141.166%0.65778%0.783SS**  trans-50.6136.5-17349.10000120
418L28.3Very low32.1Very low158 Ų158143 Ų14383%0.82778%0.783SS**  trans48.6126.2136.2-89.272.4000122.4
419S27.5Very low32.3Very low104 Ų104142.7 Ų142.773%0.72779%0.789SS**  trans54.5105.5140.264.20000120.2
420Y29.5Very low32.1Very low235 Ų235141.8 Ų141.892%0.92278%0.782SS**  -142.3148.5125.3-133.7-92.8000110.2
421S27.6Very low31.9Very low103 Ų103143.4 Ų143.472%0.7279%0.792SS**  trans-75.6149.8-179.8-560000111.7
422Y31.8Very low31.8Very low226 Ų226142.1 Ų142.189%0.88679%0.789SS**  trans-125.6113.7157-128.2-87.6000109.5
423S30.2Very low32Very low99 Ų99144.1 Ų144.169%0.69279%0.79SS**  trans-78141.2169.7-55.50000109.5
424N31.4Very low31.9Very low160 Ų160139.8 Ų139.886%0.85679%0.785SS**  trans-121.8102.8155.4-90.1-17.5000106.9
425E29.9Very low32.1Very low168 Ų168138.4 Ų138.479%0.78578%0.784SS**  trans-157.2166.4178.5-106.3-60.4168.600108
426V36.7Very low31.7Very low119 Ų119139 Ų13972%0.72179%0.785SS**  trans72.5140.3-178.8-172.50000112.7
427P39.3Very low31.8Very low107 Ų107141.8 Ų141.870%0.69579%0.786SS**  cis-125.4140.615.320.14.3000118.6
428I30Very low31.8Very low155 Ų155147.7 Ų147.780%0.79580%0.796SS**  trans43.4115.2134.2-36.6170.2000120
429A32.6Very low31.9Very low107 Ų107144.4 Ų144.488%0.88479%0.786SS**  trans-150.8102.5140.900000110.7
430S28.6Very low32.2Very low105 Ų105146.1 Ų146.173%0.73479%0.787SS**  trans-100.1124.3-178.155.70000112.5
431C30.9Very low32.4Very low125 Ų125142.4 Ų142.485%0.84578%0.781SS**  trans-159.681.5167.5-117.50000113.5
432Q31.1Very low32.8Very low175 Ų175142.7 Ų142.782%0.81878%0.78SS**  trans-145.9102.4165.7-94.4-68.5-68.800109.4
433P36.3Very low32.8Very low109 Ų109137 Ų13771%0.70877%0.774SS**  trans-96.6125.7164.233.6-26.6000110.1
434N31.3Very low32.9Very low158 Ų158137.7 Ų137.785%0.84577%0.774SS**  trans-157.4138.2153.5-104.9-33.7000110.4
435T35.3Very low33.1Very low131 Ų131137.4 Ų137.480%0.80477%0.771SS**  trans-100.7139.3-167.748.50000113.1
436T32.8Very low33.5Very low116 Ų116134.3 Ų134.371%0.71277%0.766SS**  trans-11.9134.1149.930.70000117.4
437Y33.9Very low33.4Very low223 Ų223136.4 Ų136.488%0.87577%0.771SS**  -163.1-179.498.4-118-88.3000113
438Y32.7Very low32.9Very low219 Ų219137.6 Ų137.686%0.85977%0.771SS**  trans-95.4179.3-160.4-113.3-98.5000116.2
439S31.4Very low33Very low88 Ų88136.1 Ų136.162%0.61577%0.769SS**  trans-82.8170.2-159.4-36.10000118.8
440N32.8Very low33Very low140 Ų140137.7 Ų137.775%0.74977%0.768SS**  trans88.794.3153.6-55.5-21.3000120.2
441I33Very low33.2Very low157 Ų157136.2 Ų136.281%0.80576%0.762SS**  40.9134.8106.1-60.4172000117.5
442P37.2Very low33.6Very low109 Ų109136.5 Ų136.571%0.70876%0.762SS**  cis-137.9176.415.436-15.5000118.8
443S30.5Very low33.4Very low107 Ų107132.5 Ų132.575%0.74876%0.76SS**  trans103.5140.6136.583.80000122.4
444T33.4Very low33.2Very low114 Ų114133.8 Ų133.870%0.69977%0.765SS**  trans94.685.6143.9-460000121.1
445I34.4Very low33.3Very low154 Ų154131.8 Ų131.879%0.7976%0.759SS**  65139.7121.4-73172.3000120.4
446P40Very low33.2Very low103 Ų103135.3 Ų135.367%0.66976%0.763SS**  cis-142.5-140.6-23.742.9-20.9000113.1
447I33.8Very low33Very low163 Ų163140.4 Ų140.484%0.83677%0.771SS**SBendtrans79.4117.5179.6-48.4174.2000112.7
448D29.8Very low33Very low131 Ų131135.8 Ų135.870%0.70177%0.766SS**  cis-131.1143.51.1-169.84.3000111
449V32.2Very low33.2Very low124 Ų124131.1 Ų131.175%0.75276%0.76SS**  trans-145107.1173.6176.90000109A451V449-A451 HydrophobicContact CG1-CB 4.06Å; V449-A451 PolarHBondContact O-N 3.17Å
450T32.1Very low33.7Very low141 Ų141132.5 Ų132.587%0.86577%0.766SS**  trans-9096.3166-65.20000110.3
451A32.5Very low34.1Very low74 Ų74131 Ų13161%0.61276%0.764SS**  trans-149.3155.5168.100000106.1V449V449-A451 HydrophobicContact CG1-CB 4.06Å; V449-A451 PolarHBondContact O-N 3.17Å
452P38.4Very low34Very low130 Ų130129.2 Ų129.284%0.84476%0.761SS**  cis-144.3-166.740.741-19.7000115.5
453A27.7Very low33.7Very low92 Ų92130.9 Ų130.976%0.7676%0.764SS**  trans-82.6171.117500000113.6
454V33.1Very low33.7Very low135 Ų135130.5 Ų130.582%0.81876%0.761SS**  trans-162.1121.4142129.20000113.3
455T31.4Very low33.7Very low117 Ų117129.1 Ų129.172%0.71876%0.761SS**  trans44.7117143.1-46.20000122.8
456K34.3Very low33.4Very low205 Ų205130.3 Ų130.389%0.89176%0.763SS**  -163152.9122.8-108.7167-174.8177.20112.6
457Y28.9Very low32.9Very low223 Ų223130.3 Ų130.388%0.87576%0.761SS**  trans-114177.3179.2-101.4-94.8000110.9
458V32.7Very low32.7Very low126 Ų126130.5 Ų130.576%0.76476%0.756SS**  trans86.7107.5173.1-171.50000113.8
459V38.2Very low32.7Very low121 Ų121131.4 Ų131.473%0.73376%0.761SS**  cis84134.447.5171.10000112.9
460P40.4Very low32.7Very low116 Ų116130.7 Ų130.775%0.75376%0.756SS**  cis-123.2-122.5-16.929.4-3.6000114.8
461P43Very low32.7Very low108 Ų108130.9 Ų130.970%0.70175%0.751SS**  -134.8-156.7-116.446.2-25.5000117
462T29.2Very low32.6Very low121 Ų121132.9 Ų132.974%0.74276%0.756SS**  trans89.8151.1160.2110000120.6
463D32.3Very low32.2Very low144 Ų144131.9 Ų131.977%0.7774%0.744SS**  trans67.8146.3172.1-74.7-42.4000120
464S30.4Very low32.3Very low99 Ų99135.5 Ų135.569%0.69274%0.742SS**  cis-166.7165.2-26.7-120.10000112
465A32.8Very low32.3Very low84 Ų84133.4 Ų133.469%0.69473%0.733SS**  trans56.9113.6152.900000123.1
466Q28.9Very low32.4Very low180 Ų180137.1 Ų137.184%0.84174%0.739SS**  67.9140.5122.4-63.9-165.726.500124.6
467V28.8Very low32.1Very low102 Ų102132 Ų13262%0.61873%0.73SS**  97.4116.4129.4147.10000122.1
468K28.8Very low32.2Very low167 Ų167127.5 Ų127.573%0.72673%0.73SS**  trans51119.5148-57.7169.5-163.8167.10120.4
469N31.8Very low31.8Very low151 Ų151133.1 Ų133.181%0.80774%0.737SS**  -175.3161.6100.1-89-29.2000109.7
470V31.1Very low31.7Very low108 Ų108132.3 Ų132.366%0.65573%0.734SS**  cis160.7160-26.9140.60000106.4
471L32.1Very low31.2Very low145 Ų145132.4 Ų132.476%0.75973%0.733SS**  trans69.5116.9-173.6-92.943000113.4
472T30.7Very low30.7Very low116 Ų116135.1 Ų135.171%0.71274%0.741SS**  70144.850.876.70000113.1
473D30.2Very low30.8Very low109 Ų109134.3 Ų134.358%0.58374%0.737SS**  cis-157.8173.733.8-154.415.3000115.9
474K29.8Very low30.5Very low169 Ų169133.9 Ų133.974%0.73574%0.74SS**  trans-5.7150163.8-62.7157-16383.90117.9
475S33.3Very low30.3Very low90 Ų90133.9 Ų133.963%0.62974%0.74SS**  cis-176.5155.449.176.60000115.2
476K32.3Very low30.1Very low195 Ų195135.6 Ų135.685%0.84874%0.742SS**  trans53.6149.9136.7-65166.5-173.4176.70120.3
477S28.5Very low30.2Very low99 Ų99132.5 Ų132.569%0.69274%0.735SS**  cis-178.3132-18.550.20000109.4
478C32.3Very low30.1Very low128 Ų128136 Ų13687%0.86575%0.745SS**  trans-169.8138.2146-108.80000112
479W23Very low30.3Very low243 Ų243137.1 Ų137.192%0.9275%0.752SS**  trans-122.3-163.6168.8-71.371.6000106.3
480P37.3Very low29.9Very low104 Ų104135.7 Ų135.768%0.67574%0.744SS**  cis-126.7-162.6-35.818.16.8000111.7
481T29.7Very low30.1Very low118 Ų118136.4 Ų136.472%0.72475%0.751SS**  trans110.8114.7134.6-46.20000118.4
482L32.6Very low30Very low166 Ų166138 Ų13887%0.86975%0.752SS**  trans-91.4150.4150.7-76.6164000108.7
483P30Very low29.8Very low103 Ų103138 Ų13867%0.66975%0.752SS**  -155.9154.311140.9-23.1000117.4
484V26.5Very low29.7Very low136 Ų136140.9 Ų140.982%0.82477%0.766SS**  44.9128.5124.8179.90000118.2
485S25.6Very low29.7Very low99 Ų99138.6 Ų138.669%0.69277%0.766SS**  cis-177.6-167.4652.20000113.2
486V29.8Very low29.4Very low120 Ų120140 Ų14073%0.72778%0.777SS**  trans114.4124.5151.1-168.10000117.8
487T29.5Very low29.1Very low114 Ų114135 Ų13570%0.69977%0.766SS**  trans51.8104.7164.751.90000122.9
488Q28Very low29.5Very low177 Ų177137 Ų13783%0.82777%0.768SS**  26.5116.8117.7-62.6170.2-58.400119.8
489H32Very low29.8Very low189 Ų189138 Ų13888%0.87576%0.759SS**  -155.1162.8112-130.7-100.8000112.5
490N23.2Very low31.1Very low121 Ų121129.7 Ų129.765%0.64774%0.739SS**  trans-93.4147.8-177.2-153.5-30.3000110.4
491P36.1Very low31.7Very low124 Ų124127.5 Ų127.581%0.80572%0.721SS**  -130.1137.9127.436-28.6000113.9
492K29.8Very low33.1Very low177 Ų177126.9 Ų126.977%0.7771%0.714SS**  trans-83154.6173.5-91.7-177.3174.7-1780111.7
493V26.2Very low34.6Very low117 Ų117124.5 Ų124.571%0.70970%0.701SS**  trans61.4122.2146.8172.80000117.8
494L28.4Very low36.8Very low169 Ų169121 Ų12189%0.88568%0.677SS**  trans-153.386.6130.1-110.9174.4000109.5
495T28.7Very low39.2Very low121 Ų121118.1 Ų118.174%0.74266%0.659SS**  trans-111.193169.4490000107.9S497T495-S497 PolarHBondContact O-N 3.32Å
496S27Very low41.5Very low121 Ų121118.7 Ų118.785%0.84665%0.651SS**  trans-70.8107.2-176.553.30000111.4
497S27.6Very low43.6Very low90 Ų90116.4 Ų116.463%0.62963%0.634SS**  trans-155.5125.8179.3-169.30000111.7T495T495-S497 PolarHBondContact O-N 3.32Å
498I35.5Very low46.3Very low141 Ų141111.6 Ų111.672%0.72360%0.604SS**  trans49.784158.9-49161.5000115.6
499E39.9Very low48.9Very low147 Ų147107.7 Ų107.769%0.68759%0.589SS**  trans-134.2-8.5178.1-153.9157.3-132.400115.6N501 N502E499-N501 VanDerWaalsContact C-N 3.3Å; E499-N501 PolarHBondContact O-N 3.3Å; E499-N502 PolarHBondContact O-N 3.06Å
500S49.9Very low51.3Low69 Ų69104.5 Ų104.548%0.48358%0.578SS.*Hα-helixtrans-68.1-19.7-176.251.70000115.7
501N50.6Low54.1Low59 Ų59101.5 Ų101.532%0.31656%0.562SS.*Hα-helixtrans-77.3-39.8179.6-74.9-58.4000113.3E499 V505 K531E499-N501 VanDerWaalsContact C-N 3.3Å; E499-N501 PolarHBondContact O-N 3.3Å; N501-V505 WeakPolarHBondContact O-CG2 3.42Å; N501-V505 PolarHBondContact O-N 3.16Å; N501-K531 WeakPolarHBondContact OD1-CE 3.4Å; N501-K531 PolarHBondContact OD1-NZ 2.86Å
502N58.1Low56.3Low105 Ų105103 Ų10356%0.56155%0.552SS**Hα-helixtrans-68.1-43.2-169.3-63.5-11.4000110.5E499 L504 V505 E506E499-N502 PolarHBondContact O-N 3.06Å; N502-L504 PolarHBondContact O-N 3.21Å; N502-V505 PolarHBondContact O-N 2.6Å; N502-E506 VanDerWaalsContact O-CB 3.27Å; N502-E506 WeakPolarHBondContact O-CB 3.28Å; N502-E506 PolarHBondContact O-N 3.48Å
503L65Low58.7Low115 Ų115102 Ų10260%0.60256%0.555SS**Hα-helixtrans-59.2-40.6-179-64.2176.8000113.2L507L503-L507 WeakPolarHBondContact O-CB 2.93Å; L503-L507 PolarHBondContact O-N 3.32Å
504L75.7Confident61.1Low30 Ų30103.4 Ų103.416%0.15756%0.555CS.*Hα-helixtrans-69.8-44.7177-170.678.3000111.6N502 E506 L507 I508 L523 N527N502-L504 PolarHBondContact O-N 3.21Å; L504-E506 VanDerWaalsContact C-N 3.29Å; L504-E506 PolarHBondContact O-N 3.47Å; L504-L507 PolarHBondContact O-N 3.45Å; L504-I508 HydrophobicContact CD1-CD1 4.41Å; L504-I508 HydrophobicContact CD2-CD1 3.88Å; L504-I508 HydrophobicContact CG-CD1 3.76Å; L504-I508 HydrophobicContact CG-CG1 4.26Å; L504-I508 WeakPolarHBondContact O-CB 3.33Å; L504-I508 WeakPolarHBondContact O-CG1 3.45Å; L504-I508 PolarHBondContact O-N 3.16Å; L504-L523 HydrophobicContact CD1-CB 4.3Å; L504-L523 HydrophobicContact CD1-CD2 4.34Å; L504-L523 WeakPolarHBondContact CD2-O 3.5Å; L504-N527 HydrophobicContact CD2-CB 3.63Å
505V76.1Confident63.7Low76 Ų7697.2 Ų97.246%0.46152%0.523SS..Hα-helixtrans-62.4-41.1-179.8174.30000110.6N501 N502 N509N501-V505 WeakPolarHBondContact O-CG2 3.42Å; N501-V505 PolarHBondContact O-N 3.16Å; N502-V505 PolarHBondContact O-N 2.6Å; V505-N509 VanDerWaalsContact O-CB 3.3Å; V505-N509 WeakPolarHBondContact O-CB 3.46Å; V505-N509 PolarHBondContact O-N 3.37Å; V505-N509 PolarHBondContact O-ND2 3.32Å; V505-N509 VanDerWaalsContact O-ND2 3.14Å
506E73.9Confident66.5Low110 Ų11095.1 Ų95.151%0.51451%0.511SS..Hα-helixtrans-66.2-43.6175-174.8165.2-157.100112.1N502 L504 N509 N510N502-E506 VanDerWaalsContact O-CB 3.27Å; N502-E506 WeakPolarHBondContact O-CB 3.28Å; N502-E506 PolarHBondContact O-N 3.48Å; L504-E506 VanDerWaalsContact C-N 3.29Å; L504-E506 PolarHBondContact O-N 3.47Å; E506-N509 PolarHBondContact O-N 2.99Å; E506-N510 WeakPolarHBondContact CG-ND2 3.4Å; E506-N510 VanDerWaalsContact O-CB 3.29Å; E506-N510 WeakPolarHBondContact O-CB 3.38Å; E506-N510 PolarHBondContact O-N 2.83Å; E506-N510 PolarHBondContact O-ND2 2.88Å
507L74.9Confident69.1Low73 Ų7395.3 Ų95.338%0.38250%0.502SS..Hα-helixtrans-67.9-37.8178.5-164.6154000112.2L503 L504 N511L503-L507 WeakPolarHBondContact O-CB 2.93Å; L503-L507 PolarHBondContact O-N 3.32Å; L504-L507 PolarHBondContact O-N 3.45Å; L507-N511 WeakPolarHBondContact O-CB 2.99Å; L507-N511 PolarHBondContact O-N 2.96Å; L507-N511 PolarHBondContact O-ND2 2.88Å
508I86Confident71.7Confident12 Ų1296.9 Ų96.96%0.06250%0.503CS..Hα-helixtrans-63.4-48.9170.7-72.7169.7000110.3L504 N510 N511 R512 I520 L523L504-I508 HydrophobicContact CD1-CD1 4.41Å; L504-I508 HydrophobicContact CD2-CD1 3.88Å; L504-I508 HydrophobicContact CG-CD1 3.76Å; L504-I508 HydrophobicContact CG-CG1 4.26Å; L504-I508 WeakPolarHBondContact O-CB 3.33Å; L504-I508 WeakPolarHBondContact O-CG1 3.45Å; L504-I508 PolarHBondContact O-N 3.16Å; I508-N510 PolarHBondContact O-N 2.73Å; I508-N511 CarbonylContact O-C 3.55Å; I508-N511 PolarHBondContact O-N 2.92Å; I508-R512 WeakPolarHBondContact O-CA 3.06Å; I508-R512 WeakPolarHBondContact O-CB 3.25Å; I508-R512 PolarHBondContact O-N 3.47Å; I508-I520 HydrophobicContact CD1-CG2 4.44Å; I508-I520 HydrophobicContact CG2-CD1 4.23Å; I508-I520 HydrophobicContact CG2-CG1 4.1Å; I508-I520 HydrophobicContact CG2-CG2 4.17Å; I508-L523 HydrophobicContact CD1-CB 4.15Å; I508-L523 HydrophobicContact CG1-CD1 4.06Å
509N81.9Confident74Confident96 Ų9691.6 Ų91.651%0.51348%0.476SS..Hα-helixtrans-62.5-44.4-179-77.2-28.5000112.2V505 E506 N511 R512V505-N509 VanDerWaalsContact O-CB 3.3Å; V505-N509 WeakPolarHBondContact O-CB 3.46Å; V505-N509 PolarHBondContact O-N 3.37Å; V505-N509 PolarHBondContact O-ND2 3.32Å; V505-N509 VanDerWaalsContact O-ND2 3.14Å; E506-N509 PolarHBondContact O-N 2.99Å; N509-N511 VanDerWaalsContact C-N 3.29Å; N509-N511 PolarHBondContact O-N 3.11Å; N509-R512 PolarHBondContact O-N 3.14Å
510N83.5Confident76.2Confident121 Ų12185.9 Ų85.965%0.64745%0.45SS*.Hα-helixtrans-67.1-27.6-179.9-71.5-23.6000113E506 I508E506-N510 WeakPolarHBondContact CG-ND2 3.4Å; E506-N510 VanDerWaalsContact O-CB 3.29Å; E506-N510 WeakPolarHBondContact O-CB 3.38Å; E506-N510 PolarHBondContact O-N 2.83Å; E506-N510 PolarHBondContact O-ND2 2.88Å; I508-N510 PolarHBondContact O-N 2.73Å
511N81.4Confident77.8Confident59 Ų5989.3 Ų89.332%0.31646%0.459SS..Hα-helixtrans-108.19.3-179.3-64.5-78.9000113.8L507 I508 N509 N513 M514 L515L507-N511 WeakPolarHBondContact O-CB 2.99Å; L507-N511 PolarHBondContact O-N 2.96Å; L507-N511 PolarHBondContact O-ND2 2.88Å; I508-N511 CarbonylContact O-C 3.55Å; I508-N511 PolarHBondContact O-N 2.92Å; N509-N511 VanDerWaalsContact C-N 3.29Å; N509-N511 PolarHBondContact O-N 3.11Å; N511-N513 PolarHBondContact O-N 3.3Å; N511-M514 PolarHBondContact O-N 3.46Å; N511-L515 HydrophobicContact CB-CD1 4.06Å; N511-L515 HydrophobicContact CB-CG 4.32Å; N511-L515 PolarHBondContact O-N 3.29Å
512R82.8Confident79.4Confident154 Ų15490.6 Ų90.658%0.58146%0.464SS*.THydrogen-bonded Turntrans-57.5-25.1-169.7-162.9174.6-178.5-166.8-0.7114.6I508 N509 M514 I520I508-R512 WeakPolarHBondContact O-CA 3.06Å; I508-R512 WeakPolarHBondContact O-CB 3.25Å; I508-R512 PolarHBondContact O-N 3.47Å; N509-R512 PolarHBondContact O-N 3.14Å; R512-M514 VanDerWaalsContact C-N 3.27Å; R512-M514 PolarHBondContact O-N 3.17Å; R512-I520 HydrophobicContact CG-CD1 4.28Å
513N80.2Confident80.5Confident156 Ų15686.2 Ų86.283%0.83444%0.44SS*.THydrogen-bonded Turntrans-75.4-13.5177-60.8-20000113.6N511N511-N513 PolarHBondContact O-N 3.3Å
514M76.2Confident81.3Confident147 Ų14784.2 Ų84.272%0.72443%0.43SS*.THydrogen-bonded Turntrans-116.9-1.1-175.2-58.5-78.684.900113.2N511 R512N511-M514 PolarHBondContact O-N 3.46Å; R512-M514 VanDerWaalsContact C-N 3.27Å; R512-M514 PolarHBondContact O-N 3.17Å
515L84.1Confident81.4Confident39 Ų3989.5 Ų89.520%0.20445%0.449CS..  trans-111.2137.1178.8-63.3171.9000109.2N511 D519 I520 L523N511-L515 HydrophobicContact CB-CD1 4.06Å; N511-L515 HydrophobicContact CB-CG 4.32Å; N511-L515 PolarHBondContact O-N 3.29Å; L515-D519 HydrophobicContact CB-CB 4.21Å; L515-D519 HydrophobicContact CD2-CB 3.99Å; L515-I520 HydrophobicContact CB-CD1 4.34Å; L515-I520 HydrophobicContact CB-CG1 3.99Å; L515-I520 HydrophobicContact CD1-CG1 4.32Å; L515-L523 HydrophobicContact CD1-CD1 4.08Å; L515-L523 HydrophobicContact CD2-CD1 4.31Å
516T87.2Confident81.2Confident78 Ų7889.8 Ų89.848%0.47945%0.448SS..  trans-80.8163.6167.867.40000110.5N518 D519 I520T516-N518 PolarHBondContact O-N 2.87Å; T516-D519 WeakPolarHBondContact CB-OD2 3.12Å; T516-D519 PolarHBondContact N-OD2 2.99Å; T516-D519 WeakPolarHBondContact O-CB 3.31Å; T516-D519 PolarHBondContact O-N 3.42Å; T516-D519 VanDerWaalsContact OG1-CG 3.26Å; T516-D519 PolarHBondContact OG1-N 3.2Å; T516-D519 PolarHBondContact OG1-OD2 3.44Å; T516-I520 WeakPolarHBondContact O-CG1 3.07Å; T516-I520 PolarHBondContact O-N 3.32Å
517D80.6Confident81.4Confident125 Ų12585.4 Ų85.467%0.66843%0.428SS*.Hα-helixtrans-59.1-32.2175.5-64.1-57.3000112I520 E521D517-I520 PolarHBondContact O-N 3Å; D517-E521 PolarHBondContact O-N 3.5Å
518N83.5Confident81.1Confident123 Ų12386.3 Ų86.366%0.65843%0.432SS*.Hα-helixtrans-65.7-39.5173.1-67.110000112.5T516 I520 E521 M522T516-N518 PolarHBondContact O-N 2.87Å; N518-I520 VanDerWaalsContact C-N 3.3Å; N518-E521 PolarHBondContact O-N 3.48Å; N518-M522 WeakPolarHBondContact O-CB 3.45Å; N518-M522 PolarHBondContact O-N 3.33Å
519D83.6Confident80.1Confident29 Ų2989 Ų8916%0.15545%0.447CS..Hα-helixtrans-65-39.2175.3-60.2-61.5000110.5L515 T516 M522 L523L515-D519 HydrophobicContact CB-CB 4.21Å; L515-D519 HydrophobicContact CD2-CB 3.99Å; T516-D519 WeakPolarHBondContact CB-OD2 3.12Å; T516-D519 PolarHBondContact N-OD2 2.99Å; T516-D519 WeakPolarHBondContact O-CB 3.31Å; T516-D519 PolarHBondContact O-N 3.42Å; T516-D519 VanDerWaalsContact OG1-CG 3.26Å; T516-D519 PolarHBondContact OG1-N 3.2Å; T516-D519 PolarHBondContact OG1-OD2 3.44Å; D519-M522 PolarHBondContact O-N 3.19Å; D519-L523 WeakPolarHBondContact O-CB 3.38Å; D519-L523 WeakPolarHBondContact O-CG 3.35Å; D519-L523 PolarHBondContact O-N 3.08Å
520I86Confident79.2Confident27 Ų2789.7 Ų89.714%0.13845%0.45CS..Hα-helixtrans-66.9-41.3176.8-65173.2000110.9I508 R512 L515 T516 D517 N518 N524I508-I520 HydrophobicContact CD1-CG2 4.44Å; I508-I520 HydrophobicContact CG2-CD1 4.23Å; I508-I520 HydrophobicContact CG2-CG1 4.1Å; I508-I520 HydrophobicContact CG2-CG2 4.17Å; R512-I520 HydrophobicContact CG-CD1 4.28Å; L515-I520 HydrophobicContact CB-CD1 4.34Å; L515-I520 HydrophobicContact CB-CG1 3.99Å; L515-I520 HydrophobicContact CD1-CG1 4.32Å; T516-I520 WeakPolarHBondContact O-CG1 3.07Å; T516-I520 PolarHBondContact O-N 3.32Å; D517-I520 PolarHBondContact O-N 3Å; N518-I520 VanDerWaalsContact C-N 3.3Å; I520-N524 PolarHBondContact O-N 3.18Å; I520-N524 PolarHBondContact O-ND2 3.24Å
521E82.9Confident78.5Confident141 Ų14187.2 Ų87.266%0.65943%0.434SS*.Hα-helixtrans-62.7-47.9174.3-173.9172.2-159.500111.2D517 N518 L523 N524 Y525D517-E521 PolarHBondContact O-N 3.5Å; N518-E521 PolarHBondContact O-N 3.48Å; E521-L523 PolarHBondContact O-N 2.86Å; E521-N524 PolarHBondContact O-N 3.14Å; E521-Y525 WeakPolarHBondContact O-CB 3.5Å; E521-Y525 PolarHBondContact O-N 3.45Å
522M83.6Confident77.3Confident86 Ų8688.3 Ų88.342%0.42444%0.439SS..Hα-helixtrans-59.2-44.4176.9-178.8177.463.300112.4N518 D519 N524 Y525 L526N518-M522 WeakPolarHBondContact O-CB 3.45Å; N518-M522 PolarHBondContact O-N 3.33Å; D519-M522 PolarHBondContact O-N 3.19Å; M522-N524 PolarHBondContact O-N 3.3Å; M522-Y525 PolarHBondContact O-N 3.03Å; M522-L526 HydrophobicContact CG-CD1 4.16Å; M522-L526 WeakPolarHBondContact O-CG 3.15Å; M522-L526 PolarHBondContact O-N 3.06Å
523L82Confident75.6Confident13 Ų1386.4 Ų86.47%0.06844%0.44CS..Hα-helixtrans-63.1-40.7177.1-76.5170.2000112.3F301 L504 I508 L515 D519 E521 N527F301-L523 HydrophobicContact CD2-CD2 4.2Å; F301-L523 HydrophobicContact CE2-CD2 3.75Å; L504-L523 HydrophobicContact CD1-CB 4.3Å; L504-L523 HydrophobicContact CD1-CD2 4.34Å; L504-L523 WeakPolarHBondContact CD2-O 3.5Å; I508-L523 HydrophobicContact CD1-CB 4.15Å; I508-L523 HydrophobicContact CG1-CD1 4.06Å; L515-L523 HydrophobicContact CD1-CD1 4.08Å; L515-L523 HydrophobicContact CD2-CD1 4.31Å; D519-L523 WeakPolarHBondContact O-CB 3.38Å; D519-L523 WeakPolarHBondContact O-CG 3.35Å; D519-L523 PolarHBondContact O-N 3.08Å; E521-L523 PolarHBondContact O-N 2.86Å; L523-N527 PolarHBondContact O-N 3.33Å
524N82.2Confident73.8Confident74 Ų7484.1 Ų84.140%0.39643%0.427SS..Hα-helixtrans-67.8-38.6175.5-79.7-68000112.2I520 E521 M522 N527 L528I520-N524 PolarHBondContact O-N 3.18Å; I520-N524 PolarHBondContact O-ND2 3.24Å; E521-N524 PolarHBondContact O-N 3.14Å; M522-N524 PolarHBondContact O-N 3.3Å; N524-N527 PolarHBondContact O-N 2.9Å; N524-L528 PolarHBondContact O-N 2.73Å
525Y77.2Confident72.2Confident140 Ų14081.2 Ų81.255%0.54942%0.421SS..Hα-helixtrans-61.5-46.7174.5-174.1-85.3000111.6E521 M522 N527 L528 D529E521-Y525 WeakPolarHBondContact O-CB 3.5Å; E521-Y525 PolarHBondContact O-N 3.45Å; M522-Y525 PolarHBondContact O-N 3.03Å; Y525-N527 VanDerWaalsContact C-N 3.3Å; Y525-N527 PolarHBondContact O-N 3.13Å; Y525-L528 WeakPolarHBondContact O-CA 3.27Å; Y525-L528 WeakPolarHBondContact O-CB 3.27Å; Y525-L528 PolarHBondContact O-N 2.95Å; Y525-D529 WeakPolarHBondContact CE1-OD2 3.46Å; Y525-D529 PolarHBondContact O-N 2.99Å
526L72.2Confident70.1Confident83 Ų8384.9 Ų84.944%0.43544%0.44SS..Hα-helixtrans-61.3-35.1177.3-71.8168.6000113M522 L530M522-L526 HydrophobicContact CG-CD1 4.16Å; M522-L526 WeakPolarHBondContact O-CG 3.15Å; M522-L526 PolarHBondContact O-N 3.06Å; L526-L530 WeakPolarHBondContact O-CB 3.47Å; L526-L530 WeakPolarHBondContact O-CG 3.44Å; L526-L530 PolarHBondContact O-N 3.37Å
527N77.2Confident67.8Low18 Ų1885.9 Ų85.910%0.09645%0.446CS..Hα-helixtrans-73.3-31.8173.1176.326.5000112.8L504 L523 N524 Y525 K531L504-N527 HydrophobicContact CD2-CB 3.63Å; L523-N527 PolarHBondContact O-N 3.33Å; N524-N527 PolarHBondContact O-N 2.9Å; Y525-N527 VanDerWaalsContact C-N 3.3Å; Y525-N527 PolarHBondContact O-N 3.13Å; N527-K531 WeakPolarHBondContact O-CD 3.46Å; N527-K531 VanDerWaalsContact O-CG 3.28Å; N527-K531 WeakPolarHBondContact O-CG 3.5Å; N527-K531 PolarHBondContact O-N 3.37Å; N527-K531 WeakPolarHBondContact OD1-CE 3.44Å
528L69.4Low65.7Low91 Ų9184.4 Ų84.448%0.47645%0.446SS..Hα-helixtrans-63.8-44170.6-17360.7000110.9N524 Y525 K531 N532N524-L528 PolarHBondContact O-N 2.73Å; Y525-L528 WeakPolarHBondContact O-CA 3.27Å; Y525-L528 WeakPolarHBondContact O-CB 3.27Å; Y525-L528 PolarHBondContact O-N 2.95Å; L528-K531 WeakPolarHBondContact O-CB 3.37Å; L528-K531 PolarHBondContact O-N 3.35Å; L528-N532 PolarHBondContact O-N 3.32Å; L528-N532 PolarHBondContact O-ND2 2.76Å; L528-N532 VanDerWaalsContact O-ND2 3.13Å
529D64.7Low63.3Low70 Ų7084 Ų8437%0.37445%0.448SS..Hα-helixtrans-68.1-37.9175.6-84.4-9.8000113.1Y525 K531 N532 L533Y525-D529 WeakPolarHBondContact CE1-OD2 3.46Å; Y525-D529 PolarHBondContact O-N 2.99Å; D529-K531 VanDerWaalsContact C-N 3.33Å; D529-K531 PolarHBondContact O-N 2.92Å; D529-N532 WeakPolarHBondContact O-CB 3.34Å; D529-N532 PolarHBondContact O-N 3Å; D529-N532 PolarHBondContact OD1-ND2 3.2Å; D529-L533 WeakPolarHBondContact O-CB 3.39Å; D529-L533 PolarHBondContact O-N 3.12Å
530L63.3Low60.6Low109 Ų10987.5 Ų87.557%0.57147%0.471SS*.Hα-helixtrans-62.9-36.6172.4-79.9166.1000112.7L526 L533 L534L526-L530 WeakPolarHBondContact O-CB 3.47Å; L526-L530 WeakPolarHBondContact O-CG 3.44Å; L526-L530 PolarHBondContact O-N 3.37Å; L530-L533 PolarHBondContact O-N 3.29Å; L530-L534 WeakPolarHBondContact O-CB 3.41Å; L530-L534 PolarHBondContact O-N 3.39Å
531K68.5Low57.8Low70 Ų7093.8 Ų93.830%0.30450%0.504SS..Hα-helixtrans-63.7-47.4170.5-72.6161.7-176166.90111.3N501 N527 L528 D529 L533 L534 C535N501-K531 WeakPolarHBondContact OD1-CE 3.4Å; N501-K531 PolarHBondContact OD1-NZ 2.86Å; N527-K531 WeakPolarHBondContact O-CD 3.46Å; N527-K531 VanDerWaalsContact O-CG 3.28Å; N527-K531 WeakPolarHBondContact O-CG 3.5Å; N527-K531 PolarHBondContact O-N 3.37Å; N527-K531 WeakPolarHBondContact OD1-CE 3.44Å; L528-K531 WeakPolarHBondContact O-CB 3.37Å; L528-K531 PolarHBondContact O-N 3.35Å; D529-K531 VanDerWaalsContact C-N 3.33Å; D529-K531 PolarHBondContact O-N 2.92Å; K531-L533 PolarHBondContact O-N 3.03Å; K531-L534 PolarHBondContact O-N 2.84Å; K531-C535 WeakPolarHBondContact O-CB 3.39Å; K531-C535 PolarHBondContact O-N 2.87Å; K531-C535 PolarHBondContact O-SG 3.37Å; K531-C535 VanDerWaalsContact O-SG 3.33Å
532N56.3Low55.2Low81 Ų8193.8 Ų93.843%0.43351%0.514SS..Hα-helixtrans-57.2-39.2177.5-65.6-30.7000111L528 D529 N536L528-N532 PolarHBondContact O-N 3.32Å; L528-N532 PolarHBondContact O-ND2 2.76Å; L528-N532 VanDerWaalsContact O-ND2 3.13Å; D529-N532 WeakPolarHBondContact O-CB 3.34Å; D529-N532 PolarHBondContact O-N 3Å; D529-N532 PolarHBondContact OD1-ND2 3.2Å; N532-N536 VanDerWaalsContact O-CG 3.26Å; N532-N536 PolarHBondContact O-N 2.95Å; N532-N536 PolarHBondContact O-ND2 3.17Å
533L46.4Very low52.6Low115 Ų11596.3 Ų96.360%0.60254%0.535SS*.Hα-helixtrans-65.9-49.3175-150.875.8000112.1D529 L530 K531 N536 V537D529-L533 WeakPolarHBondContact O-CB 3.39Å; D529-L533 PolarHBondContact O-N 3.12Å; L530-L533 PolarHBondContact O-N 3.29Å; K531-L533 PolarHBondContact O-N 3.03Å; L533-N536 PolarHBondContact O-N 3.02Å; L533-V537 WeakPolarHBondContact O-CG2 3.36Å; L533-V537 PolarHBondContact O-N 3.25Å
534L43Very low50Low107 Ų107103.8 Ų103.856%0.5658%0.575SS**Hα-helixtrans-71.6-33.6-174.4-160.870.5000113L530 K531 N536 V537 S538L530-L534 WeakPolarHBondContact O-CB 3.41Å; L530-L534 PolarHBondContact O-N 3.39Å; K531-L534 PolarHBondContact O-N 2.84Å; L534-N536 VanDerWaalsContact C-N 3.32Å; L534-N536 PolarHBondContact O-N 2.96Å; L534-V537 PolarHBondContact O-N 2.87Å; L534-S538 PolarHBondContact O-N 3.35Å; L534-S538 VanDerWaalsContact O-N 3.17Å; L534-S538 PolarHBondContact O-OG 3.42Å
535C42.6Very low47.6Very low86 Ų86107 Ų10758%0.58160%0.597SS**Hα-helixtrans-62.4-38.4172.6-73.60000111.9K531 S538K531-C535 WeakPolarHBondContact O-CB 3.39Å; K531-C535 PolarHBondContact O-N 2.87Å; K531-C535 PolarHBondContact O-SG 3.37Å; K531-C535 VanDerWaalsContact O-SG 3.33Å; C535-S538 PolarHBondContact O-N 3.34Å
536N39.2Very low45.3Very low116 Ų116107 Ų10762%0.6261%0.612SS**Hα-helixtrans-68.2-41.7176.7-68-26.5000111.9N532 L533 L534 S538 T539N532-N536 VanDerWaalsContact O-CG 3.26Å; N532-N536 PolarHBondContact O-N 2.95Å; N532-N536 PolarHBondContact O-ND2 3.17Å; L533-N536 PolarHBondContact O-N 3.02Å; L534-N536 VanDerWaalsContact C-N 3.32Å; L534-N536 PolarHBondContact O-N 2.96Å; N536-S538 PolarHBondContact O-N 3.39Å; N536-T539 PolarHBondContact O-OG1 2.92Å
537V40.3Very low43.3Very low100 Ų100107.8 Ų107.861%0.60663%0.63SS**Hα-helixtrans-64.7-26.1178173.80000112.6L533 L534 T539L533-V537 WeakPolarHBondContact O-CG2 3.36Å; L533-V537 PolarHBondContact O-N 3.25Å; L534-V537 PolarHBondContact O-N 2.87Å; V537-T539 PolarHBondContact O-N 3.11Å; V537-T539 VanDerWaalsContact O-N 3.1Å
538S35Very low40.9Very low94 Ų94112.7 Ų112.766%0.65766%0.66SS**THydrogen-bonded Turntrans-75.88.4-176-60.10000115.2L534 C535 N536L534-S538 PolarHBondContact O-N 3.35Å; L534-S538 VanDerWaalsContact O-N 3.17Å; L534-S538 PolarHBondContact O-OG 3.42Å; C535-S538 PolarHBondContact O-N 3.34Å; N536-S538 PolarHBondContact O-N 3.39Å
539T33.5Very low39.1Very low114 Ų114116 Ų11670%0.69967%0.673SS**THydrogen-bonded Turntrans-113.4-4.8-176.660.50000115.2N536 V537N536-T539 PolarHBondContact O-OG1 2.92Å; V537-T539 PolarHBondContact O-N 3.11Å; V537-T539 VanDerWaalsContact O-N 3.1Å
540T28.1Very low37.4Very low103 Ų103117.9 Ų117.963%0.63269%0.688SS**SBendtrans-129.264.2-172590000113.6
541N27.1Very low35.8Very low159 Ų159118.6 Ų118.685%0.8570%0.696SS**  trans-165.281.1164-104.3-31.9000113.8
542T28.5Very low33.8Very low140 Ų140119.9 Ų119.986%0.85971%0.714SS**  trans-179.995.7148.716.60000111.9
543T27.3Very low32.5Very low140 Ų140122.2 Ų122.286%0.85973%0.731SS**  trans-174.398.6155.56.70000110.2
544N27.9Very low31.7Very low170 Ų170124.1 Ų124.191%0.90974%0.742SS**  trans17776.7153.6-96.4-25.7000111.7
545T33Very low30.9Very low141 Ų141124.1 Ų124.187%0.86575%0.751SS**  trans-137125.8156-520000108.7
546T28.8Very low30.9Very low140 Ų140125.8 Ų125.886%0.85976%0.761SS**  trans-73.4127.4179.121.50000112
547A29.1Very low30.5Very low99 Ų99125.9 Ų125.982%0.81877%0.771SS**  trans-148108.5160.100000109.7
548V26.4Very low30Very low121 Ų121128 Ų12873%0.73378%0.778SS**  trans-92.4130.4168.7174.70000107.5
549H31.4Very low29.8Very low161 Ų161130.8 Ų130.875%0.74578%0.78SS**  trans168.6109.7133.4-94-70.5000113.9
550T29.8Very low29.8Very low110 Ų110134.3 Ų134.368%0.67579%0.788SS**  trans46.493.1136.654.60000121.8
551T29.5Very low30Very low123 Ų123132.7 Ų132.776%0.75579%0.792SS**  44.7111.9116.2570000123
552S26.9Very low30.2Very low98 Ų98131 Ų13169%0.68579%0.792SS**  80.1135.4118.972.10000124.4
553V28.2Very low30.4Very low130 Ų130129.6 Ų129.679%0.78878%0.783SS**  trans58.5143.4158.7-68.50000117.9
554D29.8Very low30.7Very low155 Ų155129.6 Ų129.683%0.82978%0.778SS**  cis-147.8-165.740.4-125.1-42.4000115.3
555S26.7Very low31Very low107 Ų107127.7 Ų127.775%0.74877%0.768SS**  trans-131.8-147.8-174.9-65.50000115.9
556P42.2Very low31.1Very low120 Ų120128.6 Ų128.678%0.77977%0.768SS**  -127.9167.4-101.840.9-25.3000117.5
557S31.7Very low31.2Very low119 Ų119131.2 Ų131.283%0.83277%0.767SS**  trans169.2172.5157.938.70000112.5
558L28.6Very low31.2Very low145 Ų145132.1 Ų132.176%0.75977%0.766SS**  -164160.9-59.1-122.7176.8000111.4
559H30.9Very low31.3Very low151 Ų151134.2 Ų134.270%0.69977%0.773SS**  trans79.8145.9159.2-79-71.1000124.6
560H34.9Very low31Very low189 Ų189131.4 Ų131.488%0.87577%0.772SS**  trans64.3125.8168.6-64.1-75.8000119.9
561G31.1Very low31Very low68 Ų68134.8 Ų134.870%0.70178%0.782SS**  cis156.8146.7-16.700000115.4
562S30.7Very low30.8Very low123 Ų123131.8 Ų131.886%0.8678%0.776SS**  trans60.6145.3157.4-930000120.2
563V34Very low30.8Very low111 Ų111134.9 Ų134.967%0.67378%0.784SS**  cis-148.1138.90.9-168.60000109.2
564N32.8Very low30.6Very low141 Ų141137.1 Ų137.175%0.75478%0.783SS**  169.1110.3129.8-95.1-36.3000114.7
565N33.8Very low30.7Very low129 Ų129136.5 Ų136.569%0.6979%0.785SS**  trans30.2105.1137.8-53-17.8000119.5
566N35Very low30.7Very low161 Ų161135.5 Ų135.586%0.86178%0.778SS**  -169.5117.3104.8-93.5-30.1000114
567K31.4Very low30.2Very low194 Ų194139 Ų13984%0.84378%0.784SS**  trans33.9141.5151.1-110.8179.9179.3179.50123.6
568C28.8Very low29.9Very low118 Ų118140.6 Ų140.680%0.79778%0.783SS**  trans80.7114.7154.4-600000118.6
569N28.4Very low30.1Very low165 Ų165141.9 Ų141.988%0.88279%0.785SS**  trans-154.1142.1156.6-151.2-4.3000109.3
570S26.6Very low30Very low103 Ų103142 Ų14272%0.7279%0.791SS**SBendtrans65.7145-176.9-158.40000118.2
571M28.4Very low29.6Very low180 Ų180139 Ų13989%0.88778%0.78SS**  trans56.8128.3-175.4-48.7-59.4-75.900115.1
572G25.4Very low29.6Very low61 Ų61145.7 Ų145.763%0.62979%0.785SS**  cis123.774.67.100000111.7
573L26.5Very low29.6Very low162 Ų162147 Ų14785%0.84878%0.782SS**  trans-163.4127.1166-88.7132.5000106.7
574F24.6Very low29.4Very low178 Ų178149.3 Ų149.378%0.78179%0.785SS**  79.597.369.5-92.7-76.9000115.2
575V31.3Very low29.1Very low142 Ų142147.6 Ų147.686%0.86178%0.784SS**  trans-154.3104136.2-178.10000104.2
576S26.7Very low29.1Very low86 Ų86151.4 Ų151.460%0.60180%0.795SS**  76.388.661.1-60.30000114.3
577Q32.9Very low28.9Very low193 Ų193148.6 Ų148.690%0.90279%0.788SS**  trans-150.9131.8133.6-116.3171.3-0.400109.4
578D25.7Very low28.8Very low152 Ų152148.8 Ų148.881%0.81379%0.789SS**  trans-74.6174.7174.4-48-93.3000109.3
579E31.8Very low28.8Very low172 Ų172151.9 Ų151.980%0.80479%0.791SS**  -139.715053.1-61-167.2151.700114.3
580N29Very low29Very low155 Ų155149.2 Ų149.283%0.82979%0.786SS**  trans-121.6168.7153.4-95.7-69.1000107.6
581L27.8Very low29.1Very low124 Ų124151 Ų15165%0.64979%0.787SS**  trans75145.4-157.1-65.475.3000109.9
582W29.3Very low29.1Very low210 Ų210150.2 Ų150.280%0.79578%0.783SS**  cis-103.9112.828.6-70.852.4000115.1H584W582-H584 AromaticContact CE3-CE1 3.4Å; W582-H584 VanDerWaalsContact CE3-CE1 3.4Å; W582-H584 AromaticContact CE3-ND1 3.53Å; W582-H584 AromaticContact CE3-NE2 3.9Å; W582-H584 AromaticContact CZ3-CE1 3.48Å; W582-H584 VanDerWaalsContact CZ3-CE1 3.48Å; W582-H584 WeakPolarHBondContact CZ3-CE1 3.4Å; W582-H584 AromaticContact CZ3-ND1 3.56Å
583N30.4Very low29.2Very low149 Ų149151.6 Ų151.680%0.79778%0.783SS**SBendtrans-105.5134.5131.1-103.2-41.2000106.4S585N583-S585 PolarHBondContact O-N 3.48Å
584H29.9Very low29.4Very low161 Ų161150.7 Ų150.775%0.74578%0.779SS**  trans-71.7121.8-166.9-75.5-99.9000113.3W582W582-H584 AromaticContact CE3-CE1 3.4Å; W582-H584 VanDerWaalsContact CE3-CE1 3.4Å; W582-H584 AromaticContact CE3-ND1 3.53Å; W582-H584 AromaticContact CE3-NE2 3.9Å; W582-H584 AromaticContact CZ3-CE1 3.48Å; W582-H584 VanDerWaalsContact CZ3-CE1 3.48Å; W582-H584 WeakPolarHBondContact CZ3-CE1 3.4Å; W582-H584 AromaticContact CZ3-ND1 3.56Å
585S27.4Very low29.6Very low105 Ų105149.1 Ų149.173%0.73478%0.776SS**  trans-129.7144.115565.80000109.4N583N583-S585 PolarHBondContact O-N 3.48Å
586K32.9Very low29.6Very low209 Ų209149.1 Ų149.191%0.90977%0.766SS**  trans-97.8134.8-176.6-84.4-173.9176.3178.90111.9
587S32Very low29.8Very low102 Ų102151.4 Ų151.471%0.71377%0.767SS**  trans77.391.5144.9-167.90000119.5
588F28.6Very low29.9Very low197 Ų197146.7 Ų146.786%0.86475%0.751SS**  trans60.3122.5131.7-78.1-81000121.4
589Q29.5Very low30.2Very low183 Ų183147 Ų14786%0.85575%0.748SS**  trans-126.7147.7149.8-170.8178.434.900107.6
590S31.7Very low30Very low109 Ų109145 Ų14576%0.76274%0.743SS**  trans-146.3147.5169.755.30000111.4
591N29.7Very low30Very low141 Ų141144.5 Ų144.575%0.75474%0.739SS**  trans-89.4165.8-164.4-60.9-55.9000113.6
592M28.7Very low30Very low163 Ų163149.8 Ų149.880%0.80375%0.75SS**  -176.6140.6105.4-91.5-61.3-81.400112.8
593S26.8Very low30.3Very low90 Ų90148.3 Ų148.363%0.62975%0.752SS**  trans22.9151.7148.8-55.60000122.3
594L30Very low30.7Very low143 Ų143146.7 Ų146.775%0.74975%0.749SS**  cis-173.7150.339.9-16182.3000113.1
595M30.1Very low30.6Very low146 Ų146143.5 Ų143.572%0.71975%0.745SS**  trans67.1139.4145.9-90.8-180156.400126.6
596H31.7Very low30.9Very low141 Ų141147.8 Ų147.865%0.65375%0.754SS**  trans71.1148.4142-84.7-130.3000121
597E30.9Very low30.8Very low134 Ų134143 Ų14363%0.62675%0.746SS**  cis-162-178.8-11-137.1-163.1113.700114.4
598T33.1Very low31.2Very low94 Ų94143.3 Ų143.358%0.57775%0.746SS**  trans-13.3165.9160.752.50000121.7
599Q33.8Very low31.3Very low158 Ų158141.9 Ų141.974%0.73874%0.742SS**  cis-171.81744.2-111.9173.884.800108.4
600L27.8Very low31.4Very low132 Ų132138.9 Ų138.969%0.69174%0.736SS**  cis-166.1159.8-26.8-121.6179.4000111
601L27.4Very low31.4Very low143 Ų143139 Ų13975%0.74973%0.732SS**  trans22.3130.6152.3-116.376000124.2
602R28.6Very low31.6Very low235 Ų235139.1 Ų139.189%0.88773%0.733SS**  167.7153.7113.2-96.2179.2179.5172.81.6117.5
603H34.6Very low31.8Very low180 Ų180139 Ų13983%0.83374%0.735SS**  trans-94.4-177.7162.1-61.1-75.3000110
604P38.9Very low32.6Very low115 Ų115140.2 Ų140.275%0.74774%0.741SS**  cis-154.7178.423.545.3-22.3000121.2
605S28.6Very low33.5Very low93 Ų93137.7 Ų137.765%0.6573%0.733SS**  trans39.4132.8142.667.50000124.8
606Q34.7Very low33.6Very low196 Ų196139.8 Ų139.892%0.91674%0.738SS**  174.8169.6111.3-93.2175.329.300113.8
607S30.1Very low33.9Very low107 Ų107137.8 Ų137.875%0.74874%0.74SS**  trans-129.6166.7179.768.20000110.5
608P39.2Very low34.1Very low109 Ų109136.1 Ų136.171%0.70874%0.743SS**  -165.3165.878.444.3-22.2000121.2
609Q31.5Very low34.2Very low168 Ų168141.1 Ų141.179%0.78576%0.757SS**  trans63146.2135.4-77.3-172.142.600128.3
610T31.1Very low34.1Very low119 Ų119139.9 Ų139.973%0.7375%0.754SS**  trans68.3149.8151.652.40000119.5
611T32Very low34.3Very low112 Ų112142.6 Ų142.669%0.68776%0.761SS**  cis-160.5147.6-46.70000107.2
612N33.4Very low34.5Very low143 Ų143141.2 Ų141.277%0.76575%0.754SS**  -179.7173.867.3-102.7-34.7000110.7
613L33Very low34.6Very low160 Ų160137.7 Ų137.784%0.83875%0.747SS**  trans-119.5-149.1176.6-54.183.3000109.3
614P44.9Very low34.5Very low117 Ų117137.3 Ų137.376%0.7675%0.745SS**  cis-119.6-145.8-33.743.1-25.3000108.4
615P47.9Very low34.2Very low90 Ų90136.2 Ų136.258%0.58474%0.74SS**  cis-126.7-154.3-18.737.4-16.3000112.2
616F33.6Very low34.3Very low189 Ų189138.6 Ų138.683%0.82975%0.746SS**  trans70.5149.6172.8-54.2-53.8000115.9
617S37.3Very low34.2Very low100 Ų100135.4 Ų135.470%0.69974%0.74SS**  cis-166.6146.6-21.547.20000110.2
618S34Very low34.2Very low98 Ų98136.2 Ų136.269%0.68574%0.74SS**  cis175.597.5-32.244.80000108.6
619K36.3Very low33.7Very low200 Ų200135.9 Ų135.987%0.8774%0.74SS**  trans-179105157-101.1163.3-175.7-178.60105.8
620I31.5Very low33.8Very low132 Ų132133.5 Ų133.568%0.67774%0.742SS**  63.6118.258.7-49.2167.5000108.8
621F31.4Very low33.8Very low189 Ų189134.2 Ų134.283%0.82975%0.747SS**  cis-130.217342.1-120.3-80.6000116.7
622L32.9Very low34.2Very low114 Ų114134.1 Ų134.160%0.59775%0.748SS**  trans-66.4149.2178-71.183.8000112.4
623Q29.6Very low34.1Very low160 Ų160133.4 Ų133.475%0.74875%0.748SS**  cis71.2111.547.5-172.9-172.231.200114.2
624H32.3Very low33.9Very low173 Ų173131.8 Ų131.880%0.80174%0.741SS**  trans-172.8172.6135.5-99.3-61.9000110.2
625S32.5Very low33.4Very low91 Ų91133.5 Ų133.564%0.63674%0.741SS**  trans-136.9144.1-150.456.10000116.3
626N32Very low32.7Very low144 Ų144135.9 Ų135.977%0.7775%0.746SS**  trans81138.9150.6-64.1-4.5000121.6
627T31.6Very low32.6Very low129 Ų129135 Ų13579%0.79174%0.743SS**  trans77.3107.3146.143.60000122.9
628V30.8Very low32.3Very low124 Ų124139.9 Ų139.975%0.75275%0.747SS**  86.188.3126.8-178.10000120.4
629S29.2Very low32Very low102 Ų102143.2 Ų143.271%0.71375%0.752SS**  79.7157.9126.981.80000123.5
630S32.7Very low31.5Very low117 Ų117139.4 Ų139.482%0.81875%0.749SS**  trans81.8117.9169.366.90000119.4
631T30.1Very low31.3Very low135 Ų135140.2 Ų140.283%0.82875%0.754SS**  trans-84.5178.9174.1420000109.9
632P41Very low31Very low110 Ų110137.3 Ų137.371%0.71475%0.747SS**  cis-158.9-17338.345.9-22.6000120.7
633V31.6Very low30.7Very low127 Ų127138.4 Ų138.477%0.7775%0.754SS**  trans70.7130.6149.2153.90000117.1
634D29.7Very low30.7Very low127 Ų127137.3 Ų137.368%0.67975%0.753SS**  cis-155.9159.7-2.5-139.1-29.2000113
635I33.5Very low30.6Very low152 Ų152132.7 Ų132.778%0.77974%0.74SS**SBend178.2101.9129.3-90157.9000107.5
636M33.4Very low30.6Very low140 Ų140137 Ų13769%0.6976%0.756SS**  trans39.5131.3150.1-61.5-160.2-68.800120.2
637K31.6Very low30.7Very low172 Ų172137.6 Ų137.675%0.74875%0.751SS**  cis-162.2147.29.3-128.4167.2-178.8174.70112.2
638Y29.9Very low30.6Very low201 Ų201137.6 Ų137.679%0.78875%0.746SS**  trans-4.9149145.8-67.3-97.7000119.1
639E28.4Very low30.7Very low168 Ų168137 Ų13779%0.78575%0.745SS**  cis-170.1172.7-16.5-163.8158.9-133.200107.8L641E639-L641 PolarHBondContact O-N 3.36Å
640C25.3Very low30.5Very low120 Ų120139.6 Ų139.681%0.81175%0.747SS**  trans-67.5126.6-177.2-58.50000113.9
641L27.8Very low30.3Very low149 Ų149141.8 Ų141.878%0.7875%0.75SS**  trans-171141.3150.7-105.6159.3000112E639E639-L641 PolarHBondContact O-N 3.36Å
642N25.7Very low30.2Very low129 Ų129139.8 Ų139.869%0.6974%0.741SS**  trans35.2132155.9-61.7-11.3000122.6
643N25.1Very low29.6Very low137 Ų137140 Ų14073%0.73375%0.746SS**  trans53.1113.1143.1-53.7-8.8000119.9
644D30.7Very low29.6Very low136 Ų136141.8 Ų141.873%0.72775%0.751SS**  -162.4145.598.6-98.5-19.4000109.4
645S30.6Very low29.7Very low77 Ų77144.8 Ų144.854%0.53876%0.758SS.*  cis95.87734.7-55.20000113.3K647S645-K647 PolarHBondContact O-N 2.94Å
646D32Very low29.3Very low180 Ų180146 Ų14696%0.96376%0.762SS**  trans-68.199.9158.3-86.8-40.3000109.9
647K33.2Very low29.1Very low157 Ų157145.5 Ų145.568%0.68376%0.761SS**  trans-72.8154.2169.7-75.7-177.9175.9168.80109.6S645S645-K647 PolarHBondContact O-N 2.94Å
648L29.8Very low28.8Very low130 Ų130145.8 Ų145.868%0.68176%0.763SS**  cis-168.7-178.70.8-104.8167.6000105.2M650L648-M650 HydrophobicContact CD2-CG 4.11Å
649P32.4Very low28.6Very low112 Ų112141.9 Ų141.973%0.72776%0.755SS**  cis-127.3149.82.329.8-8.8000117.1
650M26.7Very low28.5Very low155 Ų155139.7 Ų139.776%0.76475%0.754SS**  trans24.1117.3137.3-59.2171.664.700118.9L648L648-M650 HydrophobicContact CD2-CG 4.11Å
651N28Very low28.6Very low164 Ų164141.6 Ų141.688%0.87775%0.748SS**  -142.8147.298.2-150.1-7000110.8
652S27Very low28.5Very low92 Ų92139.8 Ų139.864%0.64375%0.747SS**  trans-136.9104.7-175.264.20000112
653S29.1Very low28.6Very low115 Ų115139.9 Ų139.980%0.80475%0.746SS**  trans-171.1115.5150.6-82.20000109.5
654D31.8Very low28.7Very low164 Ų164141 Ų14188%0.87775%0.752SS**  -149.5118.7119.3-111-27.8000109.2
655K32.1Very low28.5Very low190 Ų190141.4 Ų141.483%0.82675%0.754SS**  trans-96.6158.4175.5-77.9-175.1176.9-1800109.2I657K655-I657 PolarHBondContact O-N 3.49Å; K655-I657 VanDerWaalsContact O-N 3.08Å
656M25.1Very low28.5Very low178 Ų178141.3 Ų141.388%0.87776%0.758SS**  trans-41.1114.4169.5-61168.517900112.1
657I28.6Very low28.4Very low129 Ų129139.5 Ų139.566%0.66275%0.748SS**  trans-108.1100.3161.1-59.8-178000107.4K655 N659K655-I657 PolarHBondContact O-N 3.49Å; K655-I657 VanDerWaalsContact O-N 3.08Å; I657-N659 HydrophobicContact CG2-CB 4.1Å; I657-N659 PolarHBondContact O-N 3.31Å
658F24.6Very low28.4Very low179 Ų179140 Ų14079%0.78576%0.759SS**  trans-62.3113157.6-85.6-94.2000107.7
659N26.2Very low28.4Very low118 Ų118142.9 Ų142.963%0.63177%0.766SS**  trans-122.454.6175-131.8-19.7000111I657 K661I657-N659 HydrophobicContact CG2-CB 4.1Å; I657-N659 PolarHBondContact O-N 3.31Å; N659-K661 PolarHBondContact O-N 2.83Å
660T26Very low28.4Very low123 Ų123148.5 Ų148.576%0.75577%0.772SS**  trans-65.969.9163.622.80000110.3C662T660-C662 VanDerWaalsContact C-N 3.35Å; T660-C662 PolarHBondContact O-N 3.18Å
661K28.5Very low28.7Very low160 Ų160147.1 Ų147.170%0.69677%0.768SS**  trans-86.677.8170.1-97.8-173.9174.4-179.10110.5N659 I663N659-K661 PolarHBondContact O-N 2.83Å; K661-I663 HydrophobicContact CB-CG1 4.21Å; K661-I663 PolarHBondContact O-N 3.4Å
662C24.7Very low29Very low110 Ų110144.9 Ų144.974%0.74376%0.756SS**  trans-65.787.3158.5-60.50000108.7T660 N664T660-C662 VanDerWaalsContact C-N 3.35Å; T660-C662 PolarHBondContact O-N 3.18Å; C662-N664 PolarHBondContact O-N 2.88Å
663I28.9Very low29.2Very low131 Ų131146.5 Ų146.567%0.67276%0.757SS**  trans-77.790.9176.5-56.5-176.5000108.7K661 N665K661-I663 HydrophobicContact CB-CG1 4.21Å; K661-I663 PolarHBondContact O-N 3.4Å; I663-N665 VanDerWaalsContact C-N 3.31Å; I663-N665 HydrophobicContact CG2-CB 4.11Å; I663-N665 PolarHBondContact O-N 3.24Å
664N25.6Very low29.3Very low160 Ų160151.5 Ų151.586%0.85677%0.765SS**  trans-63.492.6158.5-77-30000108.5C662C662-N664 PolarHBondContact O-N 2.88Å
665N27.8Very low29.3Very low145 Ų145150.5 Ų150.578%0.77576%0.758SS**  trans-96.396.2174.8-160.29.2000110.4I663I663-N665 VanDerWaalsContact C-N 3.31Å; I663-N665 HydrophobicContact CG2-CB 4.11Å; I663-N665 PolarHBondContact O-N 3.24Å
666A30.1Very low29.1Very low76 Ų76145.9 Ų145.963%0.62876%0.755SS**  trans-96.2132173.600000110.5
667N30.5Very low29.2Very low141 Ų141142.7 Ų142.775%0.75475%0.751SS**  trans66.7105.9170.5-51-47.9000117.3
668N32.6Very low29.2Very low168 Ų168146.9 Ų146.990%0.89877%0.765SS**  -154.2167.795.3-110.4-56.9000113.1
669K29.7Very low29.3Very low190 Ų190143.8 Ų143.883%0.82677%0.765SS**  trans-144.6143.6-160.3179.9178.8-178.2175.90110.8
670R33Very low29.3Very low231 Ų231146.7 Ų146.787%0.87278%0.78SS**  trans122.4134.6-176.1-79.1170.1179.9164.31.9109.1
671N32.5Very low29.5Very low125 Ų125147.1 Ų147.167%0.66878%0.782SS**  cis-145.6169.7-2-89.513.5000106.6
672D33.4Very low29.4Very low117 Ų117144.2 Ų144.263%0.62678%0.782SS**  cis-164.1153.9-28.4-94.5-21000107.4
673N32Very low29.7Very low126 Ų126144.9 Ų144.967%0.67478%0.783SS**  trans52.5105.4158.6-56.2-30.8000120
674F31.8Very low29.9Very low221 Ų221144.9 Ų144.997%0.96978%0.784SS**  -142155102.5-114.2-80.8000110
675I30.4Very low30Very low143 Ų143145.6 Ų145.673%0.73379%0.788SS**  trans-116.3127.7-158.6-63.1171.7000112.1
676A28.5Very low30.2Very low92 Ų92143.5 Ų143.576%0.7678%0.784SS**  trans-155100.3149.900000110
677S27.1Very low30.5Very low112 Ų112146.7 Ų146.778%0.78380%0.796SS**  trans-151120170.8-59.80000108.8
678F29.2Very low30.6Very low217 Ų217142.2 Ų142.295%0.95278%0.783SS**PPolyproline II helixtrans-78.2143.9175.9-76.7-83.5000110.9
679S26.9Very low30.5Very low114 Ų114146.6 Ų146.680%0.79779%0.788SS**PPolyproline II helixtrans-72.2138.4-163.4-49.30000114.4
680L25.4Very low30.5Very low178 Ų178142.9 Ų142.993%0.93279%0.785SS**PPolyproline II helixtrans-78.6128.3154-83.4167.6000109.7
681T30.9Very low30.4Very low132 Ų132137.8 Ų137.881%0.8178%0.78SS**PPolyproline II helixtrans-83.6130.5172.2480000111.4
682S26.2Very low30.3Very low99 Ų99140.8 Ų140.869%0.69279%0.79SS**PPolyproline II helixtrans-58.7153.4168.7-174.60000112.4
683V31.7Very low30.1Very low125 Ų125138.9 Ų138.976%0.75879%0.79SS**  -176113.5111.2152.50000111.3
684N32Very low30Very low131 Ų131140 Ų14070%0.70180%0.795SS**  trans36.7132.4145.8-51.9-16.5000122.1
685N29.2Very low29.9Very low175 Ų175136 Ų13694%0.93678%0.783SS**  -134.1149.3110.2-120-21.2000110.6
686S30.9Very low29.8Very low100 Ų100134.3 Ų134.370%0.69979%0.785SS**  trans-115.4141.4-179.1-174.20000108
687T36.2Very low30Very low143 Ų143136.6 Ų136.688%0.87778%0.783SS**  -151.6172.781.1440000111.5
688G32Very low30Very low47 Ų47137 Ų13749%0.48579%0.786SS.*  cis148.8115.4-7.700000112.4
689W30.6Very low30Very low261 Ų261131.6 Ų131.699%0.98977%0.774SS**  trans68.1153.1174.7-38.8-38.4000116.4
690S30.5Very low30Very low111 Ų111133.6 Ų133.678%0.77678%0.776SS**  cis-160165.8-35.547.40000109.9
691T30.7Very low30.2Very low125 Ų125131.5 Ų131.577%0.76777%0.771SS**  trans-51.9137.7-179.743.70000116.2
692E31.4Very low30.2Very low188 Ų188136.7 Ų136.788%0.87978%0.775SS**  -179.9165.7119.6-96.4166.3-147.300108.5
693A28.6Very low30.5Very low76 Ų76139.1 Ų139.163%0.62878%0.781SS**  cis170.6120.7-37.300000106.3
694I28.7Very low30.5Very low150 Ų150141.6 Ų141.677%0.76979%0.788SS**  trans49.2134.2159.927.8174.4000122.3
695N29.9Very low30.7Very low136 Ų136142.9 Ų142.973%0.72779%0.794SS**  trans66.5109.6141-66.9-4.5000119
696S28.7Very low30.8Very low109 Ų109138.3 Ų138.376%0.76278%0.78SS**  79.3143.786.183.80000114
697L32.3Very low30.9Very low139 Ų139145 Ų14573%0.72879%0.79SS**  cis-171.6147.3-13.4179.877.6000106.3C699L697-C699 PolarHBondContact O-SG 3.06Å; L697-C699 VanDerWaalsContact O-SG 3.36Å
698S28.7Very low30.7Very low121 Ų121142 Ų14285%0.84678%0.775SS**  trans-124.595.5160.1-62.30000107.6
699C28Very low30.9Very low103 Ų103147.9 Ų147.970%0.69679%0.789SS**  66.9104.767.1-60.80000112.8L697L697-C699 PolarHBondContact O-SG 3.06Å; L697-C699 VanDerWaalsContact O-SG 3.36Å
700D28.3Very low31.2Very low157 Ų157140.7 Ų140.784%0.8478%0.779SS**  trans-145.4153.1147.4-154.3-12.7000109
701T29.1Very low31.5Very low134 Ų134141.6 Ų141.682%0.82278%0.779SS**  trans108.389.1-169.959.90000116.8
702R30.8Very low31.6Very low240 Ų240138.4 Ų138.491%0.90677%0.772SS**  trans-150.8121.2140.8-83.4-159.1176.387.22.3110.2
703D31.2Very low31.8Very low151 Ų151139.5 Ų139.581%0.80777%0.769SS**  trans-159.7108.2146.7-130.6-16.3000112.2
704I32.3Very low32.2Very low177 Ų177143.3 Ų143.391%0.90877%0.774SS**  trans-144.4123.1156.2-61-175.2000105.6
705L35.8Very low32.7Very low158 Ų158143.9 Ų143.983%0.82777%0.773SS**  trans-117.1144.4-171-171.969.1000112.9
706A31.7Very low32.8Very low78 Ų78142.6 Ų142.665%0.64577%0.766SS**  trans106.5130.4148.700000119.4
707R33.8Very low33.3Very low241 Ų241143.7 Ų143.791%0.90977%0.769SS**  trans70.4135.9145.1-91.2-179.8167.1141.6-3.4117.8
708S32.1Very low33.4Very low79 Ų79141.2 Ų141.255%0.55276%0.763SS**  cis-158.5164.41.2-40.90000112.9
709H36Very low33.6Very low171 Ų171142.6 Ų142.679%0.79276%0.759SS**  trans61.5104.2154.1-55.3-50.9000118.4
710S35.7Very low33.8Very low110 Ų110142.9 Ų142.977%0.76976%0.758SS**  89.8135.986.374.50000113
711V37.5Very low34.1Very low130 Ų130141 Ų14179%0.78875%0.753SS**  cis-144.2158.816176.30000107.2Y713V711-Y713 HydrophobicContact CG1-CD2 4.48Å
712G33.9Very low34.1Very low59 Ų59139.6 Ų139.661%0.60875%0.748SS**  cis147.5177.4-000000111.2
713Y35.5Very low34.1Very low210 Ų210136 Ų13682%0.82475%0.746SS**  trans66.8110.4-172.3-63.5-85.7000115.1V711V711-Y713 HydrophobicContact CG1-CD2 4.48Å
714H36.1Very low34.1Very low157 Ų157133.8 Ų133.873%0.72774%0.742SS**  74.9134.474.5-85.9-70000113.1D716H714-D716 IonicContact ND1-OD1 3.83Å
715Q38.8Very low34.1Very low161 Ų161131.6 Ų131.675%0.75274%0.737SS**  cis-137.314716.9-72.7-166.9-10800114.3
716D33.4Very low34.2Very low109 Ų109131.8 Ų131.858%0.58374%0.737SS**  35.8133.3123.9-29.2-33.8000118.5H714H714-D716 IonicContact ND1-OD1 3.83Å
717T37.4Very low34.2Very low132 Ų132130.9 Ų130.981%0.8174%0.736SS**  cis-160.3-175.138.6490000111.5
718S34.9Very low34.9Very low87 Ų87125.3 Ų125.361%0.60873%0.731SS**  cis-175.2145.9-49.268.60000111.6
719I33.2Very low34.9Very low150 Ų150129.9 Ų129.977%0.76974%0.744SS**  trans61.9140.8139.3-64.7166000120
720T32.7Very low34.9Very low109 Ų109126.9 Ų126.967%0.66974%0.737SS**  cis-166.1149.5-29.341.50000110.2
721T33.3Very low34.8Very low119 Ų119126.8 Ų126.873%0.7373%0.732SS**  trans37.4111.1146.361.90000123.4
722S29.2Very low34.7Very low103 Ų103128.8 Ų128.872%0.7274%0.735SS**  71149121.673.10000124.6
723L30.7Very low34.7Very low164 Ų164131.2 Ų131.286%0.85974%0.738SS**  trans73.3143.5163.4-98.266.3000116.7
724S33Very low34.7Very low106 Ų106127.6 Ų127.674%0.74174%0.738SS**  cis-142.6168.510-74.30000113.7
725T31.9Very low34.7Very low131 Ų131125 Ų12580%0.80474%0.738SS**  trans-74.8169.9179.2-41.70000114.5
726I37Very low34.3Very low161 Ų161123 Ų12383%0.82674%0.74SS**  trans104.3117.3160.2-56.6168.7000115.8
727G33Very low34.3Very low60 Ų60122.7 Ų122.762%0.61975%0.746SS**  trans-105.4-166.7159.600000111.2
728P46.9Very low34.1Very low124 Ų124123.1 Ų123.181%0.80574%0.742SS**  -151-179.351.640.8-20.1000118.2
729E33.5Very low33.9Very low174 Ų174125.3 Ų125.381%0.81375%0.747SS**  trans92.3148.9139.7-118-166.6125.900124.8
730V35.4Very low33.8Very low109 Ų109128.5 Ų128.566%0.66175%0.749SS**  trans64.7102.6164-115.90000123.4
731T33.2Very low33.7Very low108 Ų108129.2 Ų129.266%0.66375%0.754SS**  trans56.9119.6140.249.60000123.1
732M34.7Very low33.8Very low171 Ų171129.3 Ų129.384%0.84276%0.756SS**  -148.1163106.2-104.2-62.4115.100110.4
733T34.3Very low33.7Very low110 Ų110131.7 Ų131.768%0.67576%0.76SS**  trans-119.1149.3-168.551.40000113.5
734T36.7Very low33.8Very low135 Ų135131.2 Ų131.283%0.82876%0.756SS**  171.9146.8125.131.80000116.1
735S35.6Very low33.5Very low102 Ų102132.7 Ų132.771%0.71376%0.756SS**  trans54.784.8149.659.30000123.7
736C31.2Very low33.5Very low120 Ų120133 Ų13381%0.81176%0.757SS**  41.3117.7106.1-55.10000123.8
737S32.9Very low33.2Very low101 Ų101130.2 Ų130.271%0.70675%0.752SS**  92.6106.2116.7-61.30000124.8
738I32Very low33.3Very low142 Ų142137.8 Ų137.873%0.72876%0.764SS**  60.6113124.5-55.4160.9000120
739N31.9Very low32.9Very low133 Ų133136.7 Ų136.771%0.71176%0.756SS**  -166.2129.7114.9-110.2-58.9000116.2
740R30.5Very low32.8Very low216 Ų216137.3 Ų137.382%0.81576%0.757SS**  trans47.4125.7144.7-72.9176.8179.9-143.6-2.8123.7
741T31.5Very low32.7Very low124 Ų124137.6 Ų137.676%0.76176%0.759SS**  trans62.1109.2138570000120.2
742P34.8Very low32.8Very low121 Ų121140 Ų14079%0.78677%0.774SS**  trans-86138.5161.334.4-30.7000111.9
743I26.4Very low32.7Very low153 Ų153135 Ų13579%0.78577%0.765SS**  trans-123.2121154.6-62.7176.4000106
744I33.4Very low32.7Very low154 Ų154137.2 Ų137.279%0.7977%0.773SS**  trans-123.4105.1167.8-62.6-178.9000107
745N26.2Very low32.7Very low137 Ų137138.5 Ų138.573%0.73377%0.774SS**  trans-68.8141.7163-93.8-2.3000109.1
746V32.3Very low32.7Very low138 Ų138138.3 Ų138.384%0.83677%0.773SS**  trans-106.5130.7150.7-179.20000106.6
747S30.5Very low33Very low102 Ų102138 Ų13871%0.71377%0.767SS**  trans-87.7146.8-163.5-60.30000114.4
748Y34.6Very low33Very low220 Ų220139.6 Ų139.686%0.86377%0.768SS**  trans-61.5173.2159-64-100000111.6
749P40.2Very low33.1Very low100 Ų100143.9 Ų143.965%0.64978%0.775SS**  -145.6-179.2107.231.2-11.8000116.2
750F31.3Very low33.2Very low188 Ų188145.5 Ų145.583%0.82578%0.783SS**  trans86.5139.1171.1-54.2-67.1000118.8
751T31.6Very low33.8Very low115 Ų115140.4 Ų140.471%0.70678%0.778SS**  -176.8122.6-70.838.80000112
752T36.8Very low33.9Very low158 Ų158141.9 Ų141.997%0.96978%0.78SS**  trans-179.5144.8151.725.30000108.8
753G31.9Very low33.7Very low65 Ų65142.8 Ų142.867%0.6778%0.776SS**  cis166.9110.2-11.200000113.4
754N35.1Very low34Very low158 Ų158139 Ų13985%0.84578%0.775SS**  trans177.1113.2159.3-92.3-29.9000106.8
755L35.3Very low34.1Very low162 Ų162139.5 Ų139.585%0.84877%0.774SS**  49.3129.675.8-86.671.9000113.4
756S36.6Very low34.3Very low98 Ų98137.8 Ų137.869%0.68577%0.772SS**  cis-171.7173.60.862.20000109.4
757T37Very low34.5Very low112 Ų112137.8 Ų137.869%0.68777%0.773SS**  cis-160.7156-5.3-2.10000110.3
758N33Very low34.6Very low135 Ų135138.3 Ų138.372%0.72278%0.777SS**  trans66.2150.2155.1-67.3-45000119.3
759R34.3Very low34.7Very low232 Ų232133.6 Ų133.688%0.87577%0.771SS**  cis-150.7167.13.7-130.8172.9-157-109.15.2111.7
760L33.3Very low34.5Very low167 Ų167134.3 Ų134.387%0.87478%0.778SS**  trans-82.8157.9-179.3-74.6156.8000114.3
761P43Very low34.7Very low110 Ų110128.6 Ų128.671%0.71477%0.773SS**  trans-97.6164.1175.339-35.2000113.9
762I34.1Very low35.1Very low155 Ų155132.8 Ų132.880%0.79578%0.781SS**  trans-179.7133.3137.5-99.1160.3000112.6
763I31.6Very low34.7Very low140 Ų140132.8 Ų132.872%0.71878%0.775SS**  trans41123.3155.3-58172.1000121
764G31.9Very low34.8Very low74 Ų74138.9 Ų138.976%0.76378%0.783SS**  trans-152.7143153.800000109.7
765H35.1Very low34.6Very low163 Ų163137.9 Ų137.976%0.75578%0.777SS**  trans-105.2128.4-161.7-81.8-96.6000116.6
766S30.6Very low34.5Very low101 Ų101136.5 Ų136.571%0.70678%0.775SS**  trans45.3125.2130.4-510000122.8
767T35.9Very low34.2Very low138 Ų138141.4 Ų141.485%0.84778%0.784SS**  -156.6132.3125.646.90000112.7
768S33.2Very low34Very low114 Ų114139.3 Ų139.380%0.79779%0.785SS**  trans49140.4154.5-134.90000120.8
769T37.3Very low34.2Very low121 Ų121138.5 Ų138.574%0.74279%0.79SS**  cis-123.3141.712.349.30000110.6
770S34.8Very low34Very low114 Ų114135.2 Ų135.280%0.79779%0.789SS**  57.2133.473-153.30000113.6
771G36.5Very low34.4Very low69 Ų69132 Ų13271%0.71178%0.778SS**  cis-120.3-159.915.800000117.2
772K38.8Very low33.7Very low202 Ų202134.9 Ų134.988%0.87879%0.787SS**  trans-134.1153.8-161.3-59.9176.2-177.8173.80114.8
773N29.8Very low34.2Very low159 Ų159132.8 Ų132.885%0.8578%0.783SS**  trans-15.2142.8158.9-45.1-15.8000118.3
774K33.9Very low34Very low193 Ų193134.2 Ų134.284%0.83979%0.789SS**  -167.9116.3106.2-162.8168.7-177-177.60115.1
775I31.3Very low33.8Very low137 Ų137135 Ų13570%0.70378%0.782SS**  trans13.7126.1143.2-50.5161.8000118.7
776T32.1Very low33.5Very low132 Ų132132.6 Ų132.681%0.8178%0.778SS**  -162.3154.4127.9-76.10000110.9
777F30.2Very low33.5Very low201 Ų201134.6 Ų134.688%0.88278%0.779SS**  trans-60.9150.7-173-67.3-106.5000115.7
778G34.2Very low33.2Very low68 Ų68134.8 Ų134.870%0.70178%0.776SS**  trans163.3106.4162.600000115.8
779S36.3Very low33.1Very low119 Ų119133.7 Ų133.783%0.83277%0.768SS**  trans3693.3155.851.60000120.9
780L30.8Very low32.8Very low163 Ų163133.9 Ų133.985%0.85377%0.769SS**  9.8155.3115.5-104.875.3000120
781P40.1Very low32.6Very low99 Ų99134.8 Ų134.864%0.64377%0.769SS**  -146151.5-5537.8-18.2000116.4
782L29.7Very low32.4Very low171 Ų171140.7 Ų140.790%0.89578%0.775SS**  trans64.2166.5146.3-68.5175.4000119.5
783P43.7Very low32.1Very low111 Ų111138 Ų13872%0.72177%0.771SS**  trans-116.1168-150.142.4-35.3000116.4
784M28.2Very low32.5Very low170 Ų170136.9 Ų136.984%0.83776%0.764SS**  trans-169.7172.9134.6-102.8-62-94.600111.8
785C27.1Very low32.4Very low91 Ų91135 Ų13562%0.61576%0.763SS**  trans-21.6155.2159.1-65.40000118.1
786T29Very low32.5Very low112 Ų112131.9 Ų131.969%0.68777%0.765SS**  cis-171.8152.610.510.70000112.3
787I31.6Very low32.7Very low142 Ų142130.7 Ų130.773%0.72876%0.762SS**  trans62.8142.7140.1-69.7164.9000121.8
788N28.4Very low33Very low143 Ų143129 Ų12977%0.76576%0.757SS**  trans78.4106.7158.4-77.9-8.2000123.4
789S30.4Very low33.1Very low90 Ų90133.2 Ų133.263%0.62976%0.759SS**  80.9112111.5-57.20000123.5
790T31Very low32.9Very low125 Ų125135.1 Ų135.177%0.76775%0.754SS**  trans76104.8130.256.60000122.6
791V31.1Very low32.9Very low134 Ų134136 Ų13681%0.81275%0.754SS**  62.5117.8125.6-176.90000119.6
792K33.2Very low32.5Very low192 Ų192135 Ų13584%0.83576%0.761SS**  trans-163.5120.4136.4-113.3164.2-172.7172.50112.9
793N32.9Very low32.5Very low147 Ų147136.6 Ų136.679%0.78676%0.761SS**  trans150144.3150.8-84.2-38.1000109.2
794L36.4Very low32.3Very low135 Ų135136.3 Ų136.371%0.70776%0.759SS**  cis169.4142.3-38.2-105.5174.1000105.4
795N33.3Very low32.5Very low152 Ų152135.7 Ų135.781%0.81376%0.758SS**  trans81.2116.6161.1-56.8-16.7000120.8
796G33.6Very low32.7Very low73 Ų73135.2 Ų135.275%0.75376%0.76SS**  trans108125.5149.600000116.4
797S35.6Very low32.9Very low107 Ų107138.5 Ų138.575%0.74877%0.767SS**  cis-173.9147.6-21.535.30000110
798Q37.3Very low33.1Very low166 Ų166137.3 Ų137.378%0.77677%0.77SS**  trans69.9114.9167.1-68175.20.700115.5
799Q34.8Very low33.1Very low156 Ų156141.6 Ų141.673%0.72978%0.776SS**  79.9137.684.3-77.5173.2-2200113.2
800Q33.7Very low33.3Very low158 Ų158149 Ų14974%0.73879%0.79SS**  cis-149-177.42.4-146.4161.9-17.400112.2
801E28.9Very low33.4Very low183 Ų183150.2 Ų150.286%0.85579%0.787SS**  trans-77.7157.5-167.9-60.6144.5108.300115.5
802G32Very low33.6Very low76 Ų76149.9 Ų149.978%0.78478%0.78SS**  trans176.2101.4168.700000115.3
803F30.1Very low33.6Very low206 Ų206146.7 Ų146.790%0.90477%0.773SS**  trans-66.9146.7152.8-82.3-91.4000108.2
804P39.9Very low33.6Very low105 Ų105146.4 Ų146.468%0.68277%0.771SS**  -154.6170.159.644-24.2000118.7
805I31.3Very low33.4Very low157 Ų157147 Ų14781%0.80578%0.775SS**  trans48.1135.3135-64.3168.2000121.5
806A31.3Very low33.6Very low80 Ų80146.3 Ų146.366%0.66177%0.771SS**  trans96140.3150.100000121.8
807H33.5Very low33.5Very low181 Ų181150.4 Ų150.484%0.83878%0.776SS**  trans51.1114.4154.9-84.1-95.1000118.5
808C35.6Very low33.3Very low117 Ų117153 Ų15379%0.79178%0.78SS**  cis-151.2134.640.5-72.40000113.9
809R30Very low33.3Very low234 Ų234150.3 Ų150.388%0.88378%0.777SS**  trans-101.4101.4168-169-179.7-165.3174.25.6109.9
810R33.3Very low33.3Very low245 Ų245148.3 Ų148.393%0.92578%0.78SS**  trans-97.4108.7165.7-102.8-168.3179.8-164.31.4110.4
811Q34.2Very low33.1Very low151 Ų151148 Ų14871%0.70678%0.784SS**  trans-64.5159.5143.8-64169.6-23.400107.1
812N34.3Very low33.5Very low126 Ų126146.5 Ų146.567%0.67478%0.78SS**  cis-164.3161.933.3-157.52.9000111.6
813N34.6Very low33.6Very low125 Ų125147.8 Ų147.867%0.66878%0.776SS**  trans49.7110158.4-68.7-24.4000121.2
814N31.2Very low33.6Very low142 Ų142145.1 Ų145.176%0.75977%0.772SS**  -0.3122.3120.9-56.3-6.3000116.6
815N33.3Very low33.4Very low146 Ų146147.6 Ų147.678%0.78178%0.777SS**  -174.3118.3102.3-93-25.2000113.4
816N36.4Very low33.4Very low139 Ų139144.8 Ų144.874%0.74377%0.772SS**  trans28.1107.7143.2-57.3-7.8000120
817N31.9Very low33.4Very low159 Ų159147.3 Ų147.385%0.8578%0.779SS**  trans34.5107.2130.7-61.9-6.4000119.4
818I32.3Very low33.3Very low162 Ų162145 Ų14583%0.83178%0.781SS**  trans-133.3131.1148-60.4176000108.5
819P36.2Very low33.3Very low109 Ų109145.2 Ų145.271%0.70878%0.784SS**  trans-118.2166.2147.436.5-28.8000112.2
820S35.3Very low33.5Very low113 Ų113141 Ų14179%0.7978%0.784SS**  trans70.366.7161.4-52.60000118.8
821N29.7Very low33.6Very low153 Ų153133.1 Ų133.182%0.81878%0.779SS**  40161103.2-152.44.7000121
822I37.1Very low33.5Very low151 Ų151132.6 Ų132.677%0.77478%0.781SS**  trans81.4124.4174.5-53.9172.4000113.8
823S34.3Very low33.5Very low102 Ų102132.6 Ų132.671%0.71378%0.781SS**  cis-163.6149.6-9.449.60000113.2
824N30.7Very low33.4Very low150 Ų150133.2 Ų133.280%0.80278%0.784SS**  trans-102.8150.4151-69.3-44.1000106.9
825I35.9Very low33.6Very low157 Ų157132.6 Ų132.681%0.80579%0.791SS**  -160.3151.951.5-100.1107.9000110.4
826S30.4Very low33.6Very low98 Ų98132 Ų13269%0.68579%0.792SS**  trans18.1130.3151.4-159.10000121.9
827V32.6Very low33.5Very low133 Ų133133.2 Ų133.281%0.80679%0.791SS**  -166128.196.8-90.30000112.6
828C31.3Very low33.5Very low132 Ų132133 Ų13389%0.89279%0.785SS**  trans-152.3109.8165.4-85.10000111
829S34.9Very low33.5Very low123 Ų123130.4 Ų130.486%0.8679%0.787SS**  trans-143.3149.9163-56.20000106.6
830V34.7Very low33.2Very low145 Ų145128.7 Ų128.788%0.87979%0.79SS**  cis-137.6147.714-155.40000109.4
831G33.9Very low33.6Very low79 Ų79128.8 Ų128.881%0.81479%0.787SS**  trans-156.2130.316900000108.9
832N33.3Very low33.8Very low140 Ų140129 Ų12975%0.74979%0.789SS**  trans-119.5161-154.6-158.412.8000114.3
833L33.8Very low33.7Very low127 Ų127126.6 Ų126.667%0.66579%0.785SS**  trans79.9106.9164-53.8171.8000119.7
834N31.9Very low33.6Very low138 Ų138130.1 Ų130.174%0.73879%0.79SS**  66.6113.3124.7-55.8-9.1000121.6
835S35.8Very low33.8Very low129 Ų129131.5 Ų131.590%0.90280%0.796SS**  -158.689.2120.9-83.50000113.4
836V33.4Very low33.7Very low133 Ų133129 Ų12981%0.80679%0.793SS**  trans-62.9144.3152.5148.60000108.2
837K34Very low34Very low165 Ų165128 Ų12872%0.71780%0.798SS**  cis-157.9158.714.5-138.1-179.9-169.7-161.70113.6
838Q32.1Very low34Very low154 Ų154128.7 Ų128.772%0.7280%0.797SS**  trans15.4120.5143.2-67.8161.1-2100121.5
839A32.5Very low34.4Very low108 Ų108132.7 Ų132.789%0.89380%0.799SS**  29147.2109.500000122.1
840G29.2Very low34.5Very low73 Ų73132.1 Ų132.175%0.75380%0.796SS**  trans-172.2158.2159.600000112.9
841P44Very low34.7Very low114 Ų114136.6 Ų136.674%0.7480%0.796SS**  trans-129.9128.5157.834.6-20.4000113.3
842N34.2Very low34.7Very low159 Ų159138.1 Ų138.185%0.8579%0.793SS**  trans66.3156.7155.5-58.2-9.6000118.2
843S34.3Very low34.8Very low99 Ų99136.8 Ų136.869%0.69279%0.794SS**  cis178.4143.9-23.560.60000107.5
844Q33.1Very low34.8Very low177 Ų177136.4 Ų136.483%0.82780%0.797SS**  cis-148.4176.7-1.8-48.4175.133.700108.1
845L34.9Very low34.7Very low178 Ų178137.9 Ų137.993%0.93281%0.805SS**  trans-155.9159.1130.5-13774.4000113.4
846S34.1Very low34.6Very low106 Ų106135.2 Ų135.274%0.74180%0.798SS**  trans-75.9155.6-164.1-1750000116.5
847G35.8Very low34.5Very low75 Ų75137.4 Ų137.477%0.77380%0.799SS**  trans-171.8103.6170.400000113.1
848N33.9Very low34.5Very low149 Ų149137.9 Ų137.980%0.79781%0.806SS**  trans-76.4138-168.1-67.1-37.3000115.8
849K38.8Very low34.4Very low215 Ų215135 Ų13594%0.93581%0.809SS**  -167.8155.6126.8-109.3162.7-174.7172.70113.5
850S36.3Very low34.4Very low112 Ų112136 Ų13678%0.78381%0.809SS**  trans-108.5161.2-167.853.50000114.5
851R39.8Very low34.6Very low238 Ų238135.8 Ų135.890%0.89881%0.807SS**  trans-158.7146.9142.8-127.2175-68.3-173.52.5113.7
852C34.1Very low33.9Very low111 Ų111135.2 Ų135.275%0.7581%0.812SS**  trans-20.5140.8171.4-56.50000118.2
853C34.3Very low34Very low112 Ų112134 Ų13476%0.75781%0.81SS**  cis91.910546.1-66.70000115.4
854T33.9Very low34Very low120 Ų120134.8 Ų134.874%0.73681%0.811SS**  trans53.5131.3134.157.60000124.2
855N30Very low33.9Very low168 Ų168132.1 Ų132.190%0.89881%0.807SS**  trans89.9148.7144.1-63.5-1.8000121.9
856G33.2Very low33.9Very low73 Ų73131.3 Ų131.375%0.75380%0.802SS**  trans106.5101.6-174.700000111.7
857Q32.7Very low33.8Very low179 Ų179131.8 Ų131.884%0.83680%0.801SS**  cis75.9140.139.7-76.2-166.1-20.500116.7
858M33.8Very low33.9Very low175 Ų175133.8 Ų133.886%0.86280%0.8SS**  trans77.7115.1175.8-48.2-173.9-166.900114.4
859A29.5Very low33.7Very low94 Ų94131.4 Ų131.478%0.77780%0.795SS**  93.9139.75800000112.2
860S31.6Very low33.2Very low128 Ų128129 Ų12990%0.89579%0.792SS**  cis-164.8162.6-6-91.30000111.8
861G33.5Very low32.9Very low70 Ų70129 Ų12972%0.72279%0.792SS**  trans150.4107.9168.500000112.1
862A30.9Very low32.6Very low102 Ų102126 Ų12684%0.84379%0.793SS**  65.5131.178.300000112.3
863V34.6Very low32.4Very low132 Ų132126.9 Ų126.980%0.879%0.789SS**  cis-131.2164.716.2-173.80000106.6
864T36Very low32.2Very low117 Ų117131.4 Ų131.472%0.71879%0.792SS**  cis-158.3-175.741.9-370000110.9
865T29.2Very low32Very low120 Ų120131.9 Ų131.974%0.73680%0.797SS**  trans-147.1139.8165.9-66.50000110.2
866I36.3Very low32.1Very low162 Ų162127.2 Ų127.283%0.83179%0.789SS**  trans-142.2131.3161-57.3-178000109.1
867T31.5Very low32.1Very low116 Ų116128.2 Ų128.271%0.71278%0.78SS**  trans-121.1178.2167.652.40000107.6
868P38.4Very low32.2Very low117 Ų117127.3 Ų127.376%0.7678%0.776SS**  cis-120-159.95.530.2-4000110.9
869S29.6Very low32.4Very low99 Ų99124.8 Ų124.869%0.69277%0.765SS**  cis-162.5152.137.3-55.80000113.1S871S869-S871 PolarHBondContact O-N 2.75Å
870D27.4Very low32.8Very low165 Ų165125.1 Ų125.188%0.88276%0.757SS**  trans-78.8115175.9-73.6-61.6000112.9L872D870-L872 PolarHBondContact O-N 3.22Å
871S30.7Very low33Very low111 Ų111126.5 Ų126.578%0.77676%0.755SS**  trans-86.491.8175.5-66.60000111.5S869 L873S869-S871 PolarHBondContact O-N 2.75Å; S871-L873 PolarHBondContact O-N 2.91Å
872L32.9Very low33.4Very low175 Ų175126.5 Ų126.592%0.91676%0.755SS**  trans-71.972.4165.7-71.3177.5000110.9D870D870-L872 PolarHBondContact O-N 3.22Å
873L30.8Very low33.4Very low129 Ų129129.5 Ų129.568%0.67575%0.749SS**PPolyproline II helixtrans-77136.8176.2-164.369.2000110.5S871 T877S871-L873 PolarHBondContact O-N 2.91Å; L873-T877 HydrophobicContact CD2-CG2 4.43Å; L873-T877 WeakPolarHBondContact CD2-OG1 3.34Å
874Y28.6Very low33.5Very low207 Ų207127.7 Ų127.781%0.81274%0.74SS**PPolyproline II helixtrans-60.5145.3176.7-95.3-110.4000112G876Y874-G876 PolarHBondContact O-N 3.22Å
875P31.1Very low33.9Very low131 Ų131125 Ų12585%0.85172%0.723SS**THydrogen-bonded Turntrans-67.5121.6175.728.3-33.8000110.7
876G31.2Very low34.9Very low69 Ų69121.4 Ų121.471%0.71170%0.701SS**THydrogen-bonded Turntrans153.6-15.2172.900000116.7Y874 E878Y874-G876 PolarHBondContact O-N 3.22Å; G876-E878 VanDerWaalsContact C-N 3.33Å; G876-E878 PolarHBondContact O-N 3.27Å
877T34.4Very low35.5Very low94 Ų94117 Ų11758%0.57769%0.689SS**  trans-8465.9-177.2600000113.2L873 L879L873-T877 HydrophobicContact CD2-CG2 4.43Å; L873-T877 WeakPolarHBondContact CD2-OG1 3.34Å; T877-L879 PolarHBondContact O-N 2.84Å
878E33.7Very low36.5Very low160 Ų160115 Ų11575%0.74867%0.67SS**  trans-71.8115.7169.9-68.3-138.7156.400111.3G876 V880 V885G876-E878 VanDerWaalsContact C-N 3.33Å; G876-E878 PolarHBondContact O-N 3.27Å; E878-V880 PolarHBondContact O-N 3.42Å; E878-V880 VanDerWaalsContact O-N 3.16Å; E878-V885 VanDerWaalsContact O-CG2 3.25Å; E878-V885 WeakPolarHBondContact O-CG2 3.3Å
879L38.7Very low37.8Very low122 Ų122114.6 Ų114.664%0.63965%0.654SS**  trans-83.784.8-176.6-73.6169.9000112.4T877T877-L879 PolarHBondContact O-N 2.84Å
880V38.3Very low39.9Very low101 Ų101116.1 Ų116.161%0.61264%0.644SS**G310 helixtrans-77.5127.1167.7-177.80000109.9E878 G882E878-V880 PolarHBondContact O-N 3.42Å; E878-V880 VanDerWaalsContact O-N 3.16Å; V880-G882 VanDerWaalsContact C-N 3.27Å; V880-G882 PolarHBondContact O-N 3.14Å
881N34.8Very low42.7Very low158 Ų158116.6 Ų116.685%0.84563%0.633SS**G310 helixtrans57.125.8178.8-68.6-2.9000116.7K883N881-K883 VanDerWaalsContact C-N 3.28Å; N881-K883 PolarHBondContact O-N 2.94Å
882G41.3Very low45.6Very low69 Ų69112 Ų11271%0.71160%0.602SS**G310 helixtrans69.319.1164.600000115.8V880V880-G882 VanDerWaalsContact C-N 3.27Å; V880-G882 PolarHBondContact O-N 3.14Å
883K31.9Very low48.5Very low165 Ų165103.8 Ų103.872%0.71756%0.559SS**SBendtrans-121.5147167.4-67.7-175.5177.9-175.30108.8N881 V885N881-K883 VanDerWaalsContact C-N 3.28Å; N881-K883 PolarHBondContact O-N 2.94Å; K883-V885 PolarHBondContact O-N 2.86Å
884P36.3Very low51.3Low95 Ų95101.4 Ų101.462%0.61755%0.553SS**  trans-63.6133179.526.7-34.2000110.6V886P884-V886 HydrophobicContact CB-CG2 4.24Å; P884-V886 PolarHBondContact O-N 3.23Å
885V45Very low54.4Low59 Ų5997.6 Ų97.636%0.35854%0.542SS..G310 helixtrans-79.417.4-170.9-176.20000112.9E878 K883 A887 K888E878-V885 VanDerWaalsContact O-CG2 3.25Å; E878-V885 WeakPolarHBondContact O-CG2 3.3Å; K883-V885 PolarHBondContact O-N 2.86Å; V885-A887 PolarHBondContact O-N 3.02Å; V885-A887 VanDerWaalsContact O-N 3.12Å; V885-K888 HydrophobicContact CG1-CB 3.72Å; V885-K888 HydrophobicContact CG1-CD 3.78Å; V885-K888 HydrophobicContact CG1-CG 4.33Å; V885-K888 VanDerWaalsContact O-CB 3.27Å; V885-K888 WeakPolarHBondContact O-CB 3.4Å; V885-K888 PolarHBondContact O-N 3.32Å
886V49.8Very low57.3Low46 Ų4696.6 Ų96.628%0.27952%0.522SS..G310 helixtrans-52.1-31.5171.3174.90000112.1P884 K888 E940 L941P884-V886 HydrophobicContact CB-CG2 4.24Å; P884-V886 PolarHBondContact O-N 3.23Å; V886-K888 VanDerWaalsContact C-N 3.26Å; V886-K888 PolarHBondContact O-N 3.22Å; V886-E940 HydrophobicContact CG1-CB 3.61Å; V886-E940 HydrophobicContact CG2-CB 4.21Å; V886-L941 HydrophobicContact CG1-CD2 3.77Å
887A48.2Very low60.2Low69 Ų6997.5 Ų97.557%0.5751%0.51SS*.G310 helixtrans-65.4-23178.600000114.6V885 W889 R890V885-A887 PolarHBondContact O-N 3.02Å; V885-A887 VanDerWaalsContact O-N 3.12Å; A887-W889 VanDerWaalsContact C-N 3.31Å; A887-W889 PolarHBondContact O-N 3.16Å; A887-R890 WeakPolarHBondContact O-CG 3.48Å
888K54.1Low62.9Low75 Ų75101.7 Ų101.733%0.32652%0.515SS..G310 helixtrans-60.1-38.6-171.9-170.3173.4-179.4-171.70112.3V885 V886 C906 E907V885-K888 HydrophobicContact CG1-CB 3.72Å; V885-K888 HydrophobicContact CG1-CD 3.78Å; V885-K888 HydrophobicContact CG1-CG 4.33Å; V885-K888 VanDerWaalsContact O-CB 3.27Å; V885-K888 WeakPolarHBondContact O-CB 3.4Å; V885-K888 PolarHBondContact O-N 3.32Å; V886-K888 VanDerWaalsContact C-N 3.26Å; V886-K888 PolarHBondContact O-N 3.22Å; K888-C906 WeakPolarHBondContact CE-O 3.47Å; K888-C906 PolarHBondContact NZ-O 2.91Å; K888-E907 VanDerWaalsContact CG-O 3.25Å; K888-E907 WeakPolarHBondContact CG-O 3.49Å
889W64.7Low65.7Low108 Ų10897.2 Ų97.241%0.40951%0.511SS..G310 helixtrans-100.416.7-167.9-63.9-26.8000115.7A887 R891 A909A887-W889 VanDerWaalsContact C-N 3.31Å; A887-W889 PolarHBondContact O-N 3.16Å; W889-R891 PolarHBondContact O-N 3.42Å; W889-A909 HydrophobicContact CB-CB 3.84Å; W889-A909 HydrophobicContact CG-CB 4.11Å
890R73.2Confident68.3Low130 Ų13097.9 Ų97.949%0.49151%0.511SS..SBendtrans-60.4-12.2176.3-63.7-96.3-167.8162.34.2114.5A887 L941 E944A887-R890 WeakPolarHBondContact O-CG 3.48Å; R890-L941 VanDerWaalsContact CZ-CD2 3.41Å; R890-E944 IonicContact CZ-OE2 4Å; R890-E944 IonicContact NH2-OE2 2.76Å; R890-E944 PolarHBondContact NH2-OE2 3.23Å
891R86.5Confident71Confident175 Ų17594.6 Ų94.666%0.6649%0.492SS*.SBendtrans-136.5142.2175.8-57-172.7-165.294.3-3.8111.3W889 F908 A909W889-R891 PolarHBondContact O-N 3.42Å; R891-F908 HydrophobicContact CB-CD1 4.43Å; R891-A909 WeakPolarHBondContact O-CB 3.28Å; R891-A909 PolarHBondContact O-N 3.25Å
892A91.9Very high73.7Confident15 Ų1596.6 Ų96.612%0.12449%0.493CS..BIsolated β-bridgetrans-70.2150171.400000112.5S894 L897 A909 L912 V915 F933A892-S894 PolarHBondContact O-N 3.3Å; A892-L897 HydrophobicContact CB-CD1 3.99Å; A892-A909 CarbonylContact C-O 3.54Å; A892-A909 WeakPolarHBondContact CA-O 3.33Å; A892-L912 HydrophobicContact CB-CD2 3.5Å; A892-L912 VanDerWaalsContact CB-CD2 3.5Å; A892-V915 HydrophobicContact CB-CG1 4.29Å; A892-V915 HydrophobicContact CB-CG2 4.18Å; A892-F933 HydrophobicContact CB-CE1 3.74Å; A892-F933 HydrophobicContact CB-CZ 4.48Å
893C93.3Very high76Confident2 Ų2100.4 Ų100.41%0.01449%0.49CS..  trans-77111.6177.8-179.80000111.6F895 Y896 L897 C906 F908 A909C893-F895 PolarHBondContact O-N 3.36Å; C893-F895 VanDerWaalsContact O-N 3.17Å; C893-Y896 WeakPolarHBondContact O-CB 3.29Å; C893-Y896 PolarHBondContact O-N 3.44Å; C893-Y896 PolarHBondContact SG-N 2.95Å; C893-Y896 VanDerWaalsContact SG-N 3.39Å; C893-L897 PolarHBondContact O-N 3.37Å; C893-C906 VanDerWaalsContact SG-SG 3.61Å; C893-F908 VanDerWaalsContact CA-CB 3.46Å; C893-F908 HydrophobicContact CB-CB 3.6Å; C893-A909 WeakPolarHBondContact CB-O 3.4Å; C893-A909 PolarHBondContact N-O 3.38Å
894S90Very high78.4Confident79 Ų79101 Ų10155%0.55250%0.496SS*.THydrogen-bonded Turntrans-57.2-29.9176.8-49.90000113.7A892 R898A892-S894 PolarHBondContact O-N 3.3Å; S894-R898 WeakPolarHBondContact O-CG 3.25Å; S894-R898 PolarHBondContact O-N 3.28Å
895F93.3Very high80.8Confident128 Ų128103.1 Ų103.156%0.56150%0.501SS*.THydrogen-bonded Turntrans-76.7-32174.5-66.3-80.2000112.7C893 R898 G899 H900 C901C893-F895 PolarHBondContact O-N 3.36Å; C893-F895 VanDerWaalsContact O-N 3.17Å; F895-R898 CarbonylContact O-C 3.59Å; F895-R898 PolarHBondContact O-N 3.25Å; F895-G899 PolarHBondContact O-N 2.8Å; F895-H900 WeakPolarHBondContact O-CA 3.13Å; F895-H900 PolarHBondContact O-N 3.11Å; F895-C901 HydrophobicContact CB-CB 3.89Å; F895-C901 PolarHBondContact O-N 2.79Å; F895-C901 VanDerWaalsContact O-N 3.13Å
896Y93Very high82.9Confident110 Ų110100.7 Ų100.743%0.43149%0.487SS..THydrogen-bonded Turntrans-72.2-41.6175.3-178.4-97.4000111.2C893 R898 G899 H910C893-Y896 WeakPolarHBondContact O-CB 3.29Å; C893-Y896 PolarHBondContact O-N 3.44Å; C893-Y896 PolarHBondContact SG-N 2.95Å; C893-Y896 VanDerWaalsContact SG-N 3.39Å; Y896-R898 PolarHBondContact O-N 3.37Å; Y896-R898 VanDerWaalsContact O-N 3.11Å; Y896-G899 PolarHBondContact O-N 2.9Å; Y896-H910 VanDerWaalsContact CB-CD2 3.46Å; Y896-H910 WeakPolarHBondContact CB-CD2 3.5Å; Y896-H910 HydrophobicContact CD1-CB 4.17Å; Y896-H910 HydrophobicContact CD2-CB 3.8Å; Y896-H910 AromaticContact CD2-CD2 3.69Å; Y896-H910 AromaticContact CD2-CG 3.49Å; Y896-H910 VanDerWaalsContact CD2-CG 3.49Å; Y896-H910 AromaticContact CD2-ND1 3.75Å; Y896-H910 HydrophobicContact CE1-CB 4.19Å; Y896-H910 WeakPolarHBondContact CE1-O 3.36Å; Y896-H910 HydrophobicContact CE2-CB 3.82Å; Y896-H910 AromaticContact CE2-CG 3.95Å; Y896-H910 HydrophobicContact CG-CB 3.98Å; Y896-H910 AromaticContact CG-CD2 3.6Å; Y896-H910 AromaticContact CG-CG 3.77Å
897L90.9Very high84.7Confident88 Ų88105 Ų10546%0.46151%0.505SS..THydrogen-bonded Turntrans-58.7-20.9171.7-71.2169.2000113.3A892 C893 L912 F933A892-L897 HydrophobicContact CB-CD1 3.99Å; C893-L897 PolarHBondContact O-N 3.37Å; L897-L912 HydrophobicContact CD2-CD1 3.7Å; L897-L912 HydrophobicContact CD2-CD2 3.85Å; L897-L912 HydrophobicContact CD2-CG 4.44Å; L897-L912 HydrophobicContact CG-CD2 4.43Å; L897-F933 HydrophobicContact CD1-CZ 4.2Å; L897-F933 HydrophobicContact CD2-CZ 4.13Å
898R92.9Very high86.7Confident182 Ų182106.1 Ų106.169%0.68750%0.496SS*.THydrogen-bonded Turntrans-99.22.5172.9-68.7176.6177.6173.2-1.4114S894 F895 Y896 H900S894-R898 WeakPolarHBondContact O-CG 3.25Å; S894-R898 PolarHBondContact O-N 3.28Å; F895-R898 CarbonylContact O-C 3.59Å; F895-R898 PolarHBondContact O-N 3.25Å; Y896-R898 PolarHBondContact O-N 3.37Å; Y896-R898 VanDerWaalsContact O-N 3.11Å; R898-H900 VanDerWaalsContact C-N 3.33Å; R898-H900 PolarHBondContact O-CE1 3.45Å; R898-H900 PolarHBondContact O-N 3.21Å; R898-H900 PolarHBondContact O-ND1 3.13Å
899G92.1Very high88.4Confident65 Ų65102.6 Ų102.667%0.6748%0.481SS*.THydrogen-bonded Turntrans68.625.4-177.600000114.7F895 Y896F895-G899 PolarHBondContact O-N 2.8Å; Y896-G899 PolarHBondContact O-N 2.9Å
900H92.7Very high89.6Confident136 Ų13699.7 Ų99.763%0.6347%0.472SS*.  trans-124.3-2.6-172.3-65.2-14.4000114.6F895 R898 K902F895-H900 WeakPolarHBondContact O-CA 3.13Å; F895-H900 PolarHBondContact O-N 3.11Å; R898-H900 VanDerWaalsContact C-N 3.33Å; R898-H900 PolarHBondContact O-CE1 3.45Å; R898-H900 PolarHBondContact O-N 3.21Å; R898-H900 PolarHBondContact O-ND1 3.13Å; H900-K902 PolarHBondContact O-N 2.81Å
901C94.5Very high90.4Very high32 Ų3296.4 Ų96.422%0.21647%0.465CS..  trans-72.1124.7175.3-163.50000110.9F895 H910F895-C901 HydrophobicContact CB-CB 3.89Å; F895-C901 PolarHBondContact O-N 2.79Å; F895-C901 VanDerWaalsContact O-N 3.13Å; C901-H910 VanDerWaalsContact SG-CE1 3.56Å; C901-H910 PolarHBondContact SG-NE2 3.48Å
902K91.4Very high90.6Very high200 Ų20089.4 Ų89.487%0.8744%0.44SS*.  trans-112.58.7174.6-60.4-173.7179.7-176.40113.3H900H900-K902 PolarHBondContact O-N 2.81Å
903K89.1Confident90.3Very high150 Ų15093 Ų9365%0.65246%0.46SS*.  trans-86.6114.6175.9-65-173.1177.4-173.80108.7C906 H910K903-C906 HydrophobicContact CB-CB 4.16Å; K903-H910 PolarHBondContact O-CE1 3.31Å
904E83.3Confident89.9Confident178 Ų17897 Ų9783%0.83248%0.477SS*.THydrogen-bonded Turntrans-63.3-51.5168.648.9-122.6112.200110.8C906E904-C906 PolarHBondContact O-N 3.48Å
905D85.7Confident90Very high138 Ų13893.7 Ų93.774%0.73845%0.454SS*.THydrogen-bonded Turntrans-79.744.8172.9-69.3-52.7000114E907D905-E907 PolarHBondContact O-N 2.9Å
906C90.1Very high89.9Confident9 Ų988.9 Ų88.96%0.06144%0.435CS..  trans-56.6138.7-178.8-165.80000112.5K888 C893 K903 E904 F908 H910K888-C906 WeakPolarHBondContact CE-O 3.47Å; K888-C906 PolarHBondContact NZ-O 2.91Å; C893-C906 VanDerWaalsContact SG-SG 3.61Å; K903-C906 HydrophobicContact CB-CB 4.16Å; E904-C906 PolarHBondContact O-N 3.48Å; C906-F908 PolarHBondContact SG-O 3.36Å; C906-F908 VanDerWaalsContact SG-O 3.34Å; C906-H910 VanDerWaalsContact CB-CE1 3.47Å; C906-H910 WeakPolarHBondContact CB-CE1 3.25Å; C906-H910 VanDerWaalsContact CB-NE2 3.28Å; C906-H910 WeakPolarHBondContact CB-NE2 3.28Å; C906-H910 PolarHBondContact SG-NE2 3.02Å
907E87.1Confident90Very high137 Ų13783.8 Ų83.864%0.6442%0.416SS*.SBendtrans-73.8-29.4176.7-166.6167.6-173.300112.4K888 D905K888-E907 VanDerWaalsContact CG-O 3.25Å; K888-E907 WeakPolarHBondContact CG-O 3.49Å; D905-E907 PolarHBondContact O-N 2.9Å
908F90.6Very high90Very high91 Ų9186.3 Ų86.340%0.39942%0.423SS..SBendtrans-100.2150.5178.1-53.1-76.1000110.9R891 C893 C906 H910R891-F908 HydrophobicContact CB-CD1 4.43Å; C893-F908 VanDerWaalsContact CA-CB 3.46Å; C893-F908 HydrophobicContact CB-CB 3.6Å; C906-F908 PolarHBondContact SG-O 3.36Å; C906-F908 VanDerWaalsContact SG-O 3.34Å; F908-H910 PolarHBondContact O-N 2.98Å
909A89.1Confident90Very high1 Ų183.4 Ų83.41%0.00842%0.416CS..BIsolated β-bridgetrans-63.9130.1-175.100000112.5W889 R891 A892 C893 V915W889-A909 HydrophobicContact CB-CB 3.84Å; W889-A909 HydrophobicContact CG-CB 4.11Å; R891-A909 WeakPolarHBondContact O-CB 3.28Å; R891-A909 PolarHBondContact O-N 3.25Å; A892-A909 CarbonylContact C-O 3.54Å; A892-A909 WeakPolarHBondContact CA-O 3.33Å; C893-A909 WeakPolarHBondContact CB-O 3.4Å; C893-A909 PolarHBondContact N-O 3.38Å; A909-V915 HydrophobicContact CB-CG2 3.45Å; A909-V915 VanDerWaalsContact CB-CG2 3.45Å
910H90.7Very high90.1Very high48 Ų4884.7 Ų84.722%0.22240%0.4CS..SBendtrans-88.8-31.2163.8-67.6178.3000111Y896 C901 K903 C906 F908 L912Y896-H910 VanDerWaalsContact CB-CD2 3.46Å; Y896-H910 WeakPolarHBondContact CB-CD2 3.5Å; Y896-H910 HydrophobicContact CD1-CB 4.17Å; Y896-H910 HydrophobicContact CD2-CB 3.8Å; Y896-H910 AromaticContact CD2-CD2 3.69Å; Y896-H910 AromaticContact CD2-CG 3.49Å; Y896-H910 VanDerWaalsContact CD2-CG 3.49Å; Y896-H910 AromaticContact CD2-ND1 3.75Å; Y896-H910 HydrophobicContact CE1-CB 4.19Å; Y896-H910 WeakPolarHBondContact CE1-O 3.36Å; Y896-H910 HydrophobicContact CE2-CB 3.82Å; Y896-H910 AromaticContact CE2-CG 3.95Å; Y896-H910 HydrophobicContact CG-CB 3.98Å; Y896-H910 AromaticContact CG-CD2 3.6Å; Y896-H910 AromaticContact CG-CG 3.77Å; C901-H910 VanDerWaalsContact SG-CE1 3.56Å; C901-H910 PolarHBondContact SG-NE2 3.48Å; K903-H910 PolarHBondContact O-CE1 3.31Å; C906-H910 VanDerWaalsContact CB-CE1 3.47Å; C906-H910 WeakPolarHBondContact CB-CE1 3.25Å; C906-H910 VanDerWaalsContact CB-NE2 3.28Å; C906-H910 WeakPolarHBondContact CB-NE2 3.28Å; C906-H910 PolarHBondContact SG-NE2 3.02Å; F908-H910 PolarHBondContact O-N 2.98Å; H910-L912 PolarHBondContact O-N 2.95Å
911D89.8Confident90.1Very high61 Ų6183 Ų8333%0.32639%0.393SS..  trans-78.398.2173.5-175.4-1.8000110.7T913 K914D911-T913 PolarHBondContact O-N 3.44Å; D911-T913 WeakPolarHBondContact OD1-CB 3.33Å; D911-T913 PolarHBondContact OD1-N 3.4Å; D911-T913 PolarHBondContact OD1-OG1 2.87Å; D911-K914 HydrophobicContact CB-CD 4.37Å; D911-K914 PolarHBondContact O-N 2.79Å; D911-K914 VanDerWaalsContact OD2-CD 3.25Å; D911-K914 WeakPolarHBondContact OD2-CD 3.42Å; D911-K914 WeakPolarHBondContact OD2-CE 3.36Å; D911-K914 WeakPolarHBondContact OD2-CG 3.5Å; D911-K914 IonicContact OD2-NZ 3.62Å
912L90.3Very high90Very high27 Ų2785.9 Ų85.914%0.14140%0.404CS..G310 helixtrans-68.9-20.3178.9-53.7179.7000112.5A892 L897 H910 K914 V915 P932 F933A892-L912 HydrophobicContact CB-CD2 3.5Å; A892-L912 VanDerWaalsContact CB-CD2 3.5Å; L897-L912 HydrophobicContact CD2-CD1 3.7Å; L897-L912 HydrophobicContact CD2-CD2 3.85Å; L897-L912 HydrophobicContact CD2-CG 4.44Å; L897-L912 HydrophobicContact CG-CD2 4.43Å; H910-L912 PolarHBondContact O-N 2.95Å; L912-K914 PolarHBondContact O-N 2.93Å; L912-V915 PolarHBondContact O-N 3.05Å; L912-V915 VanDerWaalsContact O-N 3.08Å; L912-P932 CarbonylContact C-O 3.59Å; L912-P932 WeakPolarHBondContact CB-O 3.45Å; L912-P932 HydrophobicContact CD1-CB 4.03Å; L912-F933 HydrophobicContact CD2-CE1 4.08Å
913T86.2Confident90Very high91 Ų9179.6 Ų79.656%0.55840%0.396SS*.G310 helixtrans-71.3-9.8177.476.70000112.9D911 L934D911-T913 PolarHBondContact O-N 3.44Å; D911-T913 WeakPolarHBondContact OD1-CB 3.33Å; D911-T913 PolarHBondContact OD1-N 3.4Å; D911-T913 PolarHBondContact OD1-OG1 2.87Å; T913-L934 WeakPolarHBondContact O-CB 3.41Å; T913-L934 WeakPolarHBondContact O-CD2 3.22Å
914K86.1Confident90.2Very high85 Ų8577.5 Ų77.537%0.3739%0.389SS..G310 helixtrans-103.1-3.8172.4-65.1177.4-177.4174.20113.5D911 L912 P938D911-K914 HydrophobicContact CB-CD 4.37Å; D911-K914 PolarHBondContact O-N 2.79Å; D911-K914 VanDerWaalsContact OD2-CD 3.25Å; D911-K914 WeakPolarHBondContact OD2-CD 3.42Å; D911-K914 WeakPolarHBondContact OD2-CE 3.36Å; D911-K914 WeakPolarHBondContact OD2-CG 3.5Å; D911-K914 IonicContact OD2-NZ 3.62Å; L912-K914 PolarHBondContact O-N 2.93Å; K914-P938 WeakPolarHBondContact O-CG 3.47Å
915V90.7Very high90.8Very high10 Ų1070.1 Ų70.16%0.06136%0.357CS..SBendtrans-102.9114.1-179.9-177.10000109.1A892 A909 L912 C917 F933 L934A892-V915 HydrophobicContact CB-CG1 4.29Å; A892-V915 HydrophobicContact CB-CG2 4.18Å; A909-V915 HydrophobicContact CB-CG2 3.45Å; A909-V915 VanDerWaalsContact CB-CG2 3.45Å; L912-V915 PolarHBondContact O-N 3.05Å; L912-V915 VanDerWaalsContact O-N 3.08Å; V915-C917 PolarHBondContact O-N 3.31Å; V915-F933 HydrophobicContact CB-CD1 4.11Å; V915-F933 HydrophobicContact CG1-CD1 3.95Å; V915-F933 HydrophobicContact CG1-CE1 4.26Å; V915-L934 PolarHBondContact O-N 3.34Å
916T92.4Very high91.2Very high27 Ų2773.2 Ų73.217%0.16636%0.364CS..BIsolated β-bridgetrans-51.8129.5173.8-48.10000110.6K918 W920 E921 G936 Y937 P938T916-K918 PolarHBondContact O-N 2.92Å; T916-K918 VanDerWaalsContact O-N 3.14Å; T916-W920 HydrophobicContact CG2-CE3 3.92Å; T916-W920 HydrophobicContact CG2-CZ3 3.95Å; T916-E921 HydrophobicContact CG2-CB 4.27Å; T916-G936 PolarHBondContact OG1-O 2.85Å; T916-Y937 HydrophobicContact CG2-CD1 4.23Å; T916-Y937 HydrophobicContact CG2-CE1 4.2Å; T916-P938 WeakPolarHBondContact OG1-CD 3.11Å
917C93.6Very high91.2Very high4 Ų478.8 Ų78.83%0.02739%0.387CS..  trans-69.8109.7173.6-178.70000109.5V915 F919 W920 E921 C931 F933 L934V915-C917 PolarHBondContact O-N 3.31Å; C917-F919 PolarHBondContact O-N 2.83Å; C917-F919 VanDerWaalsContact O-N 3.16Å; C917-W920 HydrophobicContact CB-CB 3.75Å; C917-W920 WeakPolarHBondContact O-CA 3.4Å; C917-W920 WeakPolarHBondContact O-CB 3.44Å; C917-W920 PolarHBondContact O-N 3.19Å; C917-E921 PolarHBondContact O-N 2.85Å; C917-C931 PolarHBondContact SG-SG 3.44Å; C917-F933 HydrophobicContact CB-CB 3.5Å; C917-L934 WeakPolarHBondContact CB-O 3.46Å; C917-L934 PolarHBondContact N-O 3.34Å
918K90.9Very high91.3Very high140 Ų14073.9 Ų73.961%0.60937%0.373SS*.Hα-helixtrans-52.4-39178.4-171.8-174.2176.3-170.60112.8T916 W920 E921 M922T916-K918 PolarHBondContact O-N 2.92Å; T916-K918 VanDerWaalsContact O-N 3.14Å; K918-W920 VanDerWaalsContact C-N 3.35Å; K918-E921 PolarHBondContact O-N 3.32Å; K918-M922 HydrophobicContact CG-CE 4.29Å; K918-M922 HydrophobicContact CG-SD 4.36Å; K918-M922 VanDerWaalsContact O-CG 3.31Å; K918-M922 WeakPolarHBondContact O-CG 3.21Å; K918-M922 PolarHBondContact O-N 3.49Å; K918-M922 VanDerWaalsContact O-N 3.14Å
919F93.9Very high91.1Very high122 Ų12275.6 Ų75.654%0.53540%0.397SS..Hα-helixtrans-68.9-32.3176.8-61-75000112.4C917 M922 G923 E924 C925C917-F919 PolarHBondContact O-N 2.83Å; C917-F919 VanDerWaalsContact O-N 3.16Å; F919-M922 HydrophobicContact CD1-CE 3.83Å; F919-M922 HydrophobicContact CE1-CE 4.31Å; F919-M922 PolarHBondContact O-N 3.35Å; F919-G923 CarbonylContact O-C 3.53Å; F919-G923 PolarHBondContact O-N 3.44Å; F919-G923 VanDerWaalsContact O-N 3.11Å; F919-E924 CarbonylContact O-C 3.59Å; F919-E924 WeakPolarHBondContact O-CA 3.44Å; F919-E924 PolarHBondContact O-N 2.91Å; F919-C925 HydrophobicContact CB-CB 3.91Å; F919-C925 PolarHBondContact O-N 3.38Å
920W94.4Very high91.2Very high91 Ų9180.9 Ų80.935%0.34543%0.429SS..Hα-helixtrans-72.8-39.7175.7168.985.2000111.4T916 C917 K918 M922 G923 C925 H935 Y937T916-W920 HydrophobicContact CG2-CE3 3.92Å; T916-W920 HydrophobicContact CG2-CZ3 3.95Å; C917-W920 HydrophobicContact CB-CB 3.75Å; C917-W920 WeakPolarHBondContact O-CA 3.4Å; C917-W920 WeakPolarHBondContact O-CB 3.44Å; C917-W920 PolarHBondContact O-N 3.19Å; K918-W920 VanDerWaalsContact C-N 3.35Å; W920-M922 PolarHBondContact O-N 3.23Å; W920-G923 PolarHBondContact O-N 2.95Å; W920-C925 HydrophobicContact CB-CB 3.9Å; W920-H935 AromaticContact CD1-CD2 3.96Å; W920-H935 AromaticContact CD1-CE1 3.97Å; W920-H935 AromaticContact CD1-CG 3.42Å; W920-H935 VanDerWaalsContact CD1-CG 3.42Å; W920-H935 AromaticContact CD1-ND1 3.45Å; W920-H935 HydrophobicContact CD2-CB 4.17Å; W920-H935 VanDerWaalsContact CE2-C 3.5Å; W920-H935 HydrophobicContact CG-CB 3.91Å; W920-H935 AromaticContact CG-CD2 3.78Å; W920-H935 AromaticContact CG-CG 3.66Å; W920-Y937 HydrophobicContact CH2-CD2 4.47Å; W920-Y937 HydrophobicContact CH2-CE2 4.31Å; W920-Y937 HydrophobicContact CZ3-CD2 4.47Å; W920-Y937 HydrophobicContact CZ3-CE2 4.22Å
921E92.5Very high91.3Very high101 Ų10179.5 Ų79.547%0.47242%0.424SS..Hα-helixtrans-58.5-32.9173.7179.3173.5-138.900111.9T916 C917 K918 Y937T916-E921 HydrophobicContact CG2-CB 4.27Å; C917-E921 PolarHBondContact O-N 2.85Å; K918-E921 PolarHBondContact O-N 3.32Å; E921-Y937 PolarHBondContact OE1-OH 3.44Å
922M91.6Very high91.4Very high93 Ų9379.9 Ų79.946%0.45843%0.43SS..THydrogen-bonded Turntrans-87.6-6.1172.8-60.7-178.8-4500114.2K918 F919 W920 E924K918-M922 HydrophobicContact CG-CE 4.29Å; K918-M922 HydrophobicContact CG-SD 4.36Å; K918-M922 VanDerWaalsContact O-CG 3.31Å; K918-M922 WeakPolarHBondContact O-CG 3.21Å; K918-M922 PolarHBondContact O-N 3.49Å; K918-M922 VanDerWaalsContact O-N 3.14Å; F919-M922 HydrophobicContact CD1-CE 3.83Å; F919-M922 HydrophobicContact CE1-CE 4.31Å; F919-M922 PolarHBondContact O-N 3.35Å; W920-M922 PolarHBondContact O-N 3.23Å; M922-E924 HydrophobicContact CB-CG 4.33Å
923G92.4Very high91.5Very high68 Ų6881.4 Ų81.470%0.70144%0.436SS*.THydrogen-bonded Turntrans82.54.2-177.100000116.1F919 W920F919-G923 CarbonylContact O-C 3.53Å; F919-G923 PolarHBondContact O-N 3.44Å; F919-G923 VanDerWaalsContact O-N 3.11Å; W920-G923 PolarHBondContact O-N 2.95Å
924E93.7Very high91.8Very high106 Ų10679.5 Ų79.550%0.49542%0.422SS..  trans-102.39.3-171.3-57-177145.700114.3F919 M922 F926F919-E924 CarbonylContact O-C 3.59Å; F919-E924 WeakPolarHBondContact O-CA 3.44Å; F919-E924 PolarHBondContact O-N 2.91Å; M922-E924 HydrophobicContact CB-CG 4.33Å; E924-F926 WeakPolarHBondContact O-CD2 3.42Å; E924-F926 VanDerWaalsContact O-CE2 3.26Å; E924-F926 WeakPolarHBondContact O-CE2 3.42Å; E924-F926 PolarHBondContact O-N 3.48Å
925C95.8Very high92.1Very high23 Ų2378.6 Ų78.616%0.15542%0.419CS..  trans-79.289.1-176-167.30000114F919 W920 K927 G928 C931 H935F919-C925 HydrophobicContact CB-CB 3.91Å; F919-C925 PolarHBondContact O-N 3.38Å; W920-C925 HydrophobicContact CB-CB 3.9Å; C925-K927 PolarHBondContact O-N 2.96Å; C925-G928 PolarHBondContact O-N 3.19Å; C925-C931 VanDerWaalsContact SG-SG 3.69Å; C925-H935 VanDerWaalsContact SG-CE1 3.55Å; C925-H935 PolarHBondContact SG-NE2 3.27Å
926F93Very high92Very high202 Ų20279 Ų7989%0.88642%0.424SS*.THydrogen-bonded Turntrans-60.1-12.2173.9-55.5-74.5000115.3E924 G928E924-F926 WeakPolarHBondContact O-CD2 3.42Å; E924-F926 VanDerWaalsContact O-CE2 3.26Å; E924-F926 WeakPolarHBondContact O-CE2 3.42Å; E924-F926 PolarHBondContact O-N 3.48Å; F926-G928 VanDerWaalsContact C-N 3.35Å
927K90.9Very high91.9Very high126 Ų12683.2 Ų83.255%0.54844%0.438SS..THydrogen-bonded Turntrans-76.4-19.1180-63.1-175-179.8-65.40113.5C925 S929 T930 C931C925-K927 PolarHBondContact O-N 2.96Å; K927-S929 PolarHBondContact O-N 3.45Å; K927-T930 WeakPolarHBondContact O-CA 3.44Å; K927-T930 WeakPolarHBondContact O-CB 3.23Å; K927-T930 PolarHBondContact O-N 3.21Å; K927-T930 PolarHBondContact O-OG1 3.25Å; K927-C931 HydrophobicContact CB-CB 3.84Å
928G88.2Confident91.2Very high34 Ų3483.8 Ų83.835%0.35144%0.442SS..G310 helixtrans51.9-132.5-178.100000112.3C925 F926 T930 C931 H935C925-G928 PolarHBondContact O-N 3.19Å; F926-G928 VanDerWaalsContact C-N 3.35Å; G928-T930 PolarHBondContact O-N 3.43Å; G928-C931 WeakPolarHBondContact O-CB 3.35Å; G928-C931 PolarHBondContact O-N 2.93Å; G928-H935 PolarHBondContact O-CE1 2.82Å; G928-H935 PolarHBondContact O-ND1 2.62Å
929S86.4Confident90.2Very high128 Ų12882.1 Ų82.190%0.89545%0.445SS*.G310 helixtrans-68-9.117651.50000115.1K927 C931K927-S929 PolarHBondContact O-N 3.45Å; S929-C931 VanDerWaalsContact C-N 3.32Å
930T91Very high88.9Confident111 Ų11180.4 Ų80.468%0.68144%0.439SS*.G310 helixtrans-89.84.6173.773.10000113K927 G928K927-T930 WeakPolarHBondContact O-CA 3.44Å; K927-T930 WeakPolarHBondContact O-CB 3.23Å; K927-T930 PolarHBondContact O-N 3.21Å; K927-T930 PolarHBondContact O-OG1 3.25Å; G928-T930 PolarHBondContact O-N 3.43Å
931C93.7Very high87Confident19 Ų1977.3 Ų77.313%0.12843%0.429CS..  trans-70.9128.3173.7-161.40000110.3C917 C925 K927 G928 S929 F933 H935C917-C931 PolarHBondContact SG-SG 3.44Å; C925-C931 VanDerWaalsContact SG-SG 3.69Å; K927-C931 HydrophobicContact CB-CB 3.84Å; G928-C931 WeakPolarHBondContact O-CB 3.35Å; G928-C931 PolarHBondContact O-N 2.93Å; S929-C931 VanDerWaalsContact C-N 3.32Å; C931-F933 PolarHBondContact O-N 3.31Å; C931-H935 WeakPolarHBondContact CB-NE2 3.45Å; C931-H935 PolarHBondContact SG-NE2 3.03Å
932P90.9Very high85Confident70 Ų7077.2 Ų77.246%0.45543%0.432SS..SBendtrans-75.8-9.1174.931.4-35.2000112.9L912L912-P932 CarbonylContact C-O 3.59Å; L912-P932 WeakPolarHBondContact CB-O 3.45Å; L912-P932 HydrophobicContact CD1-CB 4.03Å
933F93.1Very high83.1Confident58 Ų5878.9 Ų78.925%0.25444%0.441SS..SBendtrans-99.9150.5178-64.3-91.1000110.7A892 L897 L912 V915 C917 C931 H935A892-F933 HydrophobicContact CB-CE1 3.74Å; A892-F933 HydrophobicContact CB-CZ 4.48Å; L897-F933 HydrophobicContact CD1-CZ 4.2Å; L897-F933 HydrophobicContact CD2-CZ 4.13Å; L912-F933 HydrophobicContact CD2-CE1 4.08Å; V915-F933 HydrophobicContact CB-CD1 4.11Å; V915-F933 HydrophobicContact CG1-CD1 3.95Å; V915-F933 HydrophobicContact CG1-CE1 4.26Å; C917-F933 HydrophobicContact CB-CB 3.5Å; C931-F933 PolarHBondContact O-N 3.31Å; F933-H935 PolarHBondContact O-CD2 3.24Å; F933-H935 PolarHBondContact O-N 3.05Å
934L91.8Very high80.9Confident52 Ų5282 Ų8227%0.27244%0.438SS..BIsolated β-bridgetrans-63.7126.7-175-172.962000112.7T913 V915 C917 G936 P938T913-L934 WeakPolarHBondContact O-CB 3.41Å; T913-L934 WeakPolarHBondContact O-CD2 3.22Å; V915-L934 PolarHBondContact O-N 3.34Å; C917-L934 WeakPolarHBondContact CB-O 3.46Å; C917-L934 PolarHBondContact N-O 3.34Å; L934-G936 VanDerWaalsContact C-N 3.26Å; L934-G936 VanDerWaalsContact CD2-O 3.31Å; L934-G936 WeakPolarHBondContact CD2-O 3.38Å; L934-G936 WeakPolarHBondContact CG-O 3.48Å; L934-G936 PolarHBondContact O-N 3.4Å; L934-P938 HydrophobicContact CD2-CB 4.15Å
935H93.3Very high78.4Confident66 Ų6685.2 Ų85.231%0.30645%0.453SS..SBendtrans-89.865.5169.2-78.3-156.6000109.9W920 C925 G928 C931 F933W920-H935 AromaticContact CD1-CD2 3.96Å; W920-H935 AromaticContact CD1-CE1 3.97Å; W920-H935 AromaticContact CD1-CG 3.42Å; W920-H935 VanDerWaalsContact CD1-CG 3.42Å; W920-H935 AromaticContact CD1-ND1 3.45Å; W920-H935 HydrophobicContact CD2-CB 4.17Å; W920-H935 VanDerWaalsContact CE2-C 3.5Å; W920-H935 HydrophobicContact CG-CB 3.91Å; W920-H935 AromaticContact CG-CD2 3.78Å; W920-H935 AromaticContact CG-CG 3.66Å; C925-H935 VanDerWaalsContact SG-CE1 3.55Å; C925-H935 PolarHBondContact SG-NE2 3.27Å; G928-H935 PolarHBondContact O-CE1 2.82Å; G928-H935 PolarHBondContact O-ND1 2.62Å; C931-H935 WeakPolarHBondContact CB-NE2 3.45Å; C931-H935 PolarHBondContact SG-NE2 3.03Å; F933-H935 PolarHBondContact O-CD2 3.24Å; F933-H935 PolarHBondContact O-N 3.05Å
936G89.4Confident75.6Confident17 Ų1792.2 Ų92.218%0.17548%0.483CS..SBendtrans169.2164.1-171.400000110T916 L934T916-G936 PolarHBondContact OG1-O 2.85Å; L934-G936 VanDerWaalsContact C-N 3.26Å; L934-G936 VanDerWaalsContact CD2-O 3.31Å; L934-G936 WeakPolarHBondContact CD2-O 3.38Å; L934-G936 WeakPolarHBondContact CG-O 3.48Å; L934-G936 PolarHBondContact O-N 3.4Å
937Y88.2Confident73Confident116 Ų11690.9 Ų90.946%0.45548%0.479SS..  trans-85.5134.9165.9-62.3-79.7000109.1T916 W920 E921T916-Y937 HydrophobicContact CG2-CD1 4.23Å; T916-Y937 HydrophobicContact CG2-CE1 4.2Å; W920-Y937 HydrophobicContact CH2-CD2 4.47Å; W920-Y937 HydrophobicContact CH2-CE2 4.31Å; W920-Y937 HydrophobicContact CZ3-CD2 4.47Å; W920-Y937 HydrophobicContact CZ3-CE2 4.22Å; E921-Y937 PolarHBondContact OE1-OH 3.44Å
938P80Confident70.3Confident16 Ų1693.9 Ų93.910%0.10452%0.516CS..  trans-62.1139.6174.726.4-34.2000109.9K914 T916 L934 E940 L941K914-P938 WeakPolarHBondContact O-CG 3.47Å; T916-P938 WeakPolarHBondContact OG1-CD 3.11Å; L934-P938 HydrophobicContact CD2-CB 4.15Å; P938-E940 PolarHBondContact O-N 3.02Å; P938-L941 HydrophobicContact CG-CD1 3.69Å; P938-L941 HydrophobicContact CG-CG 3.94Å; P938-L941 PolarHBondContact O-N 3.45Å
939P69.5Low69.5Low105 Ų10596.9 Ų96.968%0.68253%0.525SS*.G310 helixtrans-62.4-25.8-163.923.2-34.6000114.1L941 N942P939-L941 PolarHBondContact O-N 2.98Å; P939-L941 VanDerWaalsContact O-N 3.16Å; P939-N942 PolarHBondContact O-N 3.28Å
940E66.1Low68.6Low87 Ų8795.3 Ų95.341%0.40751%0.505SS..G310 helixtrans-61-19.8177.2-58.6172.6-164.600113.2V886 P938V886-E940 HydrophobicContact CG1-CB 3.61Å; V886-E940 HydrophobicContact CG2-CB 4.21Å; P938-E940 PolarHBondContact O-N 3.02Å
941L55.8Low67.3Low26 Ų2694.4 Ų94.414%0.13650%0.495CS..G310 helixtrans-88.7-17.7-178.5-58.7-173.9000114.6V886 R890 P938 P939 I943V886-L941 HydrophobicContact CG1-CD2 3.77Å; R890-L941 VanDerWaalsContact CZ-CD2 3.41Å; P938-L941 HydrophobicContact CG-CD1 3.69Å; P938-L941 HydrophobicContact CG-CG 3.94Å; P938-L941 PolarHBondContact O-N 3.45Å; P939-L941 PolarHBondContact O-N 2.98Å; P939-L941 VanDerWaalsContact O-N 3.16Å; L941-I943 PolarHBondContact O-N 3.09Å
942N50.9Low65.8Low99 Ų9998.8 Ų98.853%0.52952%0.517SS..THydrogen-bonded Turntrans-71.5-8.4179.1-77.8-9.5000113.3P939P939-N942 PolarHBondContact O-N 3.28Å
943I49.9Very low64.2Low127 Ų127100.6 Ų100.665%0.65152%0.521SS*.THydrogen-bonded Turntrans-81.6-29.4-175.9-55.6177.4000111.5L941 Q945L941-I943 PolarHBondContact O-N 3.09Å; I943-Q945 VanDerWaalsContact C-N 3.29Å; I943-Q945 PolarHBondContact O-N 2.86Å
944E46.4Very low62.3Low135 Ų135103.5 Ų103.563%0.63154%0.539SS*.THydrogen-bonded Turntrans-76-10.7-176.9-64-173.3129.300114R890R890-E944 IonicContact CZ-OE2 4Å; R890-E944 IonicContact NH2-OE2 2.76Å; R890-E944 PolarHBondContact NH2-OE2 3.23Å
945Q41.7Very low60.2Low172 Ų172107.1 Ų107.180%0.80456%0.558SS**THydrogen-bonded Turntrans-99.5-3.1-177.2-71.5-169.7-15.800115.3I943I943-Q945 VanDerWaalsContact C-N 3.29Å; I943-Q945 PolarHBondContact O-N 2.86Å
946Q36.5Very low57.6Low171 Ų171110.3 Ų110.380%0.79958%0.577SS**SBendtrans-96.315.8179.4-63.2-168.6-4.200113.9
947H39.4Very low55Low174 Ų174118.1 Ų118.181%0.80661%0.61SS**  trans-131.639.3-169.4-121.8-68.1000113.9
948S35.2Very low51.9Low189 Ų189118.3 Ų118.3100%1.32263%0.625SS**  trans-148.70174.8-69.80000111.3

Retrieved 948 of 948 residues in 173.5 ms (Link to these results)