A0A087X9T2_POEFO Loading...

NHS-like 2

AlphaFold DB , UniProt , Accession A0A087X9T2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 952 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1L44.8Very low40.1Very low193 Ų193148.5 Ų148.5100%1.0175%0.754SS**  0147.30-55177.7000107.1I3L1-I3 HydrophobicContact CB-CD1 4.45Å; L1-I3 HydrophobicContact CB-CG1 4.46Å; L1-I3 HydrophobicContact CD2-CD1 4.02Å; L1-I3 HydrophobicContact CD2-CG1 3.78Å
2P52.2Low39.5Very low125 Ų125145.4 Ų145.481%0.81275%0.749SS**  cis-64161.7-9.329.7-35.1000111.3
3I38.8Very low38.8Very low101 Ų101144.1 Ų144.152%0.51875%0.751SS.*  cis117.393.710.6-71.4170.4000112.3L1L1-I3 HydrophobicContact CB-CD1 4.45Å; L1-I3 HydrophobicContact CB-CG1 4.46Å; L1-I3 HydrophobicContact CD2-CD1 4.02Å; L1-I3 HydrophobicContact CD2-CG1 3.78Å
4R43.8Very low38.3Very low207 Ų207145.1 Ų145.178%0.78176%0.757SS**  trans55.9153.5130.8-51.6178.7-173.4123.7-6.1122.1
5K41.5Very low39.9Very low187 Ų187142.9 Ų142.981%0.81376%0.755SS**  trans95.5138.9150.9-67-158171.8-1720118.5
6T41.2Very low39.4Very low92 Ų92142.2 Ų142.256%0.56476%0.758SS**  cis171.6152.8-44.634.10000109.6
7H35.2Very low38.8Very low169 Ų169137.4 Ų137.478%0.78275%0.751SS**  trans72.2131.4170.6-44.6-64.7000114.2
8S36.8Very low38.2Very low103 Ų103141.9 Ų141.972%0.7276%0.755SS**  cis76.6107.623.2-168.70000115.5
9E34.1Very low37.8Very low191 Ų191143.6 Ų143.689%0.89376%0.755SS**  trans-149.5131.6140.3-123.4161.3-139.600110.3
10L38.9Very low37.6Very low138 Ų138142.2 Ų142.272%0.72376%0.758SS**  trans-77.4176155.9-101.467.2000107
11D33.4Very low37.2Very low127 Ų127140.5 Ų140.568%0.67976%0.758SS**  cis-172-17943.1-140.2-31000112.5
12T32.8Very low36.6Very low112 Ų112135.5 Ų135.569%0.68774%0.744SS**  trans13.5148.9156.649.10000121.5
13T31.4Very low35.9Very low128 Ų128137.5 Ų137.579%0.78574%0.744SS**  -171.1160.764-44.50000113
14L31.6Very low35.6Very low159 Ų159138.8 Ų138.883%0.83275%0.752SS**  trans-92.8-149.2169.4-69.3168.1000111.8
15P61.6Low35.3Very low111 Ų111137.2 Ų137.272%0.72175%0.754SS**  -128.4174.1-9441-25.5000115.7
16T31.8Very low35Very low132 Ų132133.9 Ų133.981%0.8175%0.754SS**  trans-167.5156.2159.81.30000108.1
17G29.1Very low34.6Very low61 Ų61133.1 Ų133.163%0.62976%0.764SS**  cis103.1137.73700000109.1
18W29.6Very low34.8Very low218 Ų218132.4 Ų132.483%0.82677%0.765SS**  cis-168.1153.64.2-103.6-35.1000112.1
19F29.7Very low34.9Very low174 Ų174134.2 Ų134.276%0.76377%0.766SS**  trans57.7152.9145.9-68.6-58000125.8
20S33.3Very low34.6Very low116 Ų116130.4 Ų130.481%0.81176%0.759SS**  trans83.8153.2151.1-65.80000120.8
21S30.2Very low34.1Very low107 Ų107128.3 Ų128.375%0.74876%0.756SS**  cis-176.7152.7-31-168.10000108.9
22A31.9Very low33.8Very low88 Ų88129 Ų12973%0.72776%0.76SS**  trans43.9122.3164.500000119.4
23M36.9Very low34.2Very low166 Ų166129.4 Ų129.482%0.81876%0.763SS**  83.4119.951.4-160.8165.4-16300113.9
24D33.2Very low34.8Very low128 Ų128129 Ų12968%0.68476%0.762SS**  trans65.1146.8173.3-58.5-27.5000117.7
25H37.2Very low34.7Very low175 Ų175126.4 Ų126.481%0.8176%0.757SS**  cis-139.9147.538.4-66.4-77.2000117.5
26S35.3Very low33.4Very low117 Ų117125.9 Ų125.982%0.81876%0.756SS**  trans-2.7130.2154.657.50000120.9
27G33.6Very low33.3Very low76 Ų76125.5 Ų125.578%0.78475%0.754SS**  trans-143.249.8-179.900000117.2
28L39.1Very low33.4Very low154 Ų154133 Ų13381%0.80676%0.763SS**  trans68.1125.1158.2-59176.4000121.5
29L38.3Very low33.5Very low140 Ų140129.3 Ų129.373%0.73376%0.76SS**  trans63108133.3-58.4175.6000119.1
30C27.8Very low33.6Very low111 Ų111124.4 Ų124.475%0.7576%0.758SS**  86.1136.788.4-77.60000114.6
31S28.8Very low34.6Very low94 Ų94124 Ų12466%0.65775%0.753SS**  cis-154.4150.51-89.70000113
32N27.4Very low34.7Very low142 Ų142129 Ų12976%0.75976%0.761SS**  trans24.2132.3140.2-53.70.3000121.7
33T40.5Very low34.7Very low121 Ų121128 Ų12874%0.74276%0.759SS**  3.7155.9109.544.70000118.4
34P43.8Very low34.5Very low119 Ų119126.3 Ų126.377%0.77376%0.764SS**  cis-128.7-152.936.225.82.1000111.3
35S29.6Very low35Very low104 Ų104126 Ų12673%0.72777%0.767SS**  cis-155.116116.6-49.90000114
36S34.5Very low34.7Very low100 Ų100126.8 Ų126.870%0.69977%0.768SS**  trans-82171.1153.758.40000111
37T30.1Very low34.9Very low124 Ų124126.2 Ų126.276%0.76177%0.765SS**  trans-176.6107139.3-78.90000113.3
38W30.5Very low35.5Very low220 Ų220128.4 Ų128.483%0.83377%0.765SS**  trans54.1157.4134.5-73.156.6000125.3
39N32Very low35.1Very low140 Ų140125.8 Ų125.875%0.74977%0.766SS**  trans79.5114.3155.9-64.7-35.3000121.2
40G32.5Very low34.8Very low71 Ų71123.8 Ų123.873%0.73277%0.769SS**  trans-97.8-146.2147.900000110.2
41P53.4Low34.9Very low108 Ų108130.1 Ų130.170%0.70178%0.777SS**  cis-126.3-173.8-6.741.3-26.2000113.1
42K31.7Very low34.9Very low210 Ų210131.4 Ų131.491%0.91379%0.786SS**  trans71.9156.9-176.9-44.7153.4-173.8171.40111.5
43G33.3Very low35Very low67 Ų67131.5 Ų131.569%0.69178%0.782SS**  cis162.8179.2-6.100000111.2
44S32.8Very low34.5Very low131 Ų131132.5 Ų132.592%0.91679%0.788SS**  trans74.5164.6170.9-152.50000118.8
45T43.4Very low33.8Very low123 Ų123133.8 Ų133.876%0.75578%0.779SS**  trans-119.8127.9178.7-63.40000108.4
46F31.3Very low33.8Very low190 Ų190136.8 Ų136.883%0.83379%0.786SS**  trans-171.3160.6143.6-128.9-117.7000112.2
47S39.4Very low33.7Very low106 Ų106139.7 Ų139.774%0.74178%0.783SS**  trans-123.4142.5153.8-50.60000106.3
48P45.3Very low33.7Very low122 Ų122140.3 Ų140.379%0.79278%0.782SS**  -147.8-175.492.638.6-20.6000114.5
49A30.8Very low34Very low99 Ų99136.6 Ų136.682%0.81878%0.775SS**  trans-73.1164-178.400000115.1
50A31.6Very low34.1Very low97 Ų97134.3 Ų134.380%0.80277%0.77SS**  trans-160.7162.5133.900000111.8
51W30.6Very low34.3Very low245 Ų245140.6 Ų140.693%0.92878%0.778SS**  trans-78.2163.3-173.3-52.9-78.5000116
52S28.6Very low33.2Very low120 Ų120138.6 Ų138.684%0.83978%0.777SS**  trans-153.6130.6134.161.40000111.1
53E29.9Very low34Very low144 Ų144134.7 Ų134.767%0.67377%0.773SS**  trans-105.7152.8-179.4-57.7168.311500112.3Y55E53-Y55 HydrophobicContact CB-CD2 4.19Å
54T29.5Very low33.9Very low142 Ų142135.8 Ų135.887%0.87178%0.775SS**  trans-154.5106.1147.2-26.30000107.9
55Y28.9Very low33.9Very low147 Ų147136 Ų13658%0.57677%0.77SS**  72.2113.361.1-91.1-68.6000117.3E53 Y57E53-Y55 HydrophobicContact CB-CD2 4.19Å; Y55-Y57 AromaticContact CD1-CD2 3.44Å; Y55-Y57 HydrophobicContact CD1-CD2 3.44Å; Y55-Y57 VanDerWaalsContact CD1-CD2 3.44Å; Y55-Y57 AromaticContact CD1-CE2 3.8Å; Y55-Y57 HydrophobicContact CD1-CE2 3.8Å; Y55-Y57 HydrophobicContact CD1-CG 4.49Å; Y55-Y57 AromaticContact CE1-CD2 3.72Å; Y55-Y57 HydrophobicContact CE1-CD2 3.72Å; Y55-Y57 AromaticContact CE1-CE2 3.6Å; Y55-Y57 HydrophobicContact CE1-CE2 3.6Å; Y55-Y57 HydrophobicContact CG-CD2 4.42Å
56N30.6Very low34.5Very low166 Ų166135.4 Ų135.489%0.88877%0.769SS**  trans-172.797.6155.6-95.3-52.9000105.3
57Y31.5Very low35.3Very low162 Ų162131.3 Ų131.364%0.63576%0.761SS**  cis82.89241.8-117.7-59.2000115.7Y55 M59Y55-Y57 AromaticContact CD1-CD2 3.44Å; Y55-Y57 HydrophobicContact CD1-CD2 3.44Å; Y55-Y57 VanDerWaalsContact CD1-CD2 3.44Å; Y55-Y57 AromaticContact CD1-CE2 3.8Å; Y55-Y57 HydrophobicContact CD1-CE2 3.8Å; Y55-Y57 HydrophobicContact CD1-CG 4.49Å; Y55-Y57 AromaticContact CE1-CD2 3.72Å; Y55-Y57 HydrophobicContact CE1-CD2 3.72Å; Y55-Y57 AromaticContact CE1-CE2 3.6Å; Y55-Y57 HydrophobicContact CE1-CE2 3.6Å; Y55-Y57 HydrophobicContact CG-CD2 4.42Å; Y57-M59 HydrophobicContact CE1-CG 4.46Å
58N30.3Very low34.9Very low136 Ų136135.7 Ų135.773%0.72777%0.767SS**  -177.7120.9127.2-91.9-21.7000109.6
59M36.4Very low34.2Very low143 Ų143139 Ų13970%0.70477%0.772SS**  71133.877.3-74.8-172.162.600113.6Y57Y57-M59 HydrophobicContact CE1-CG 4.46Å
60S33.7Very low34.3Very low92 Ų92141.8 Ų141.864%0.64377%0.767SS**  cis-160.9-169.1-6.955.30000108.4
61K37.5Very low34.1Very low203 Ų203141.4 Ų141.488%0.88376%0.759SS**  cis-164.7164.815.1-148.1165.4-1761750109.9
62G30.1Very low34.1Very low66 Ų66135.5 Ų135.568%0.6875%0.75SS**  trans-165.4146.4169.300000111.9
63P48.5Very low34.1Very low128 Ų128138 Ų13883%0.83175%0.752SS**  trans-106.4144.2-163.838-34.3000118.6
64A31.1Very low34.2Very low89 Ų89134.7 Ų134.774%0.73676%0.756SS**  trans24.4117.9145.400000121
65V32.6Very low34.2Very low135 Ų135137.3 Ų137.382%0.81876%0.758SS**  cis60.3133.249.4-169.20000113.8
66P56.9Low34.4Very low111 Ų111135.2 Ų135.272%0.72177%0.772SS**  cis-133-139.6-2643.6-23.7000110.5
67P47.2Very low34.2Very low105 Ų105130.6 Ų130.668%0.68276%0.763SS**  cis-134.4176.7-23.940.3-22.1000117.1
68K31.2Very low34.1Very low197 Ų197126.3 Ų126.386%0.85777%0.768SS**  trans25.7124.9148.7-64.6177.2178.3179.40121.2
69H31.5Very low34.4Very low192 Ų192126.7 Ų126.789%0.88977%0.768SS**  -158.1-174.7111.1-149.2-110.8000113.2
70H31.7Very low34.5Very low157 Ų157127.2 Ų127.273%0.72777%0.769SS**  trans-105.4166.3-168.6-144.2-93.8000112.9
71S28.6Very low34.5Very low89 Ų89129.9 Ų129.962%0.62278%0.776SS**  trans82.8127.4147.6-72.40000122.9
72V29.7Very low34.3Very low122 Ų122123.7 Ų123.774%0.73977%0.77SS**  90.2126.9121.4166.60000121.9
73I29.6Very low34.6Very low172 Ų172126.9 Ų126.988%0.88278%0.776SS**  trans65.3142156.7-74.6164.4000119.4
74G30.5Very low33.9Very low75 Ų75128.3 Ų128.377%0.77377%0.773SS**  trans16997166.300000113
75H30.6Very low34Very low196 Ų196131 Ų13191%0.90778%0.775SS**  trans-93.6164174-110.8-56.4000111.6
76A31.9Very low34.1Very low104 Ų104129.7 Ų129.786%0.8677%0.767SS**  trans65.1157.4172.600000115.2
77G28.2Very low32.9Very low69 Ų69129.4 Ų129.471%0.71177%0.768SS**  cis165.5116.7-6.500000108.6
78G28.9Very low32.3Very low71 Ų71130 Ų13073%0.73277%0.774SS**  107.5-170.6102.200000110.3
79I35.6Very low32.4Very low144 Ų144124 Ų12474%0.73877%0.768SS**  trans41.8114.6161.236.6173.9000118
80Q39.4Very low32.3Very low155 Ų155123.6 Ų123.672%0.72477%0.766SS**  cis-148154.437-82.9118.8114.700113.5
81D32.9Very low32.2Very low148 Ų148120.7 Ų120.779%0.79176%0.764SS**  19.9136.3128.2-38.1-45.6000117.6
82G33.7Very low32.4Very low73 Ų73122.6 Ų122.675%0.75377%0.772SS**  cis142.2174.334.400000106.9
83V35.5Very low32.3Very low132 Ų132121.6 Ų121.680%0.877%0.77SS**  cis-154.8153.810.3-84.90000110.1
84M35.1Very low32.5Very low158 Ų158117.3 Ų117.378%0.77876%0.755SS**  trans65.8130.8160.7-65.2-48.1-160.300119
85L32.3Very low32.7Very low146 Ų146122.4 Ų122.476%0.76476%0.758SS**  74.914472.2-118.676.2000112.3
86V35.4Very low32.7Very low107 Ų107118.7 Ų118.765%0.64876%0.755SS**  cis-158.7146.418.766.80000112.7
87S31.9Very low33.1Very low106 Ų106118.7 Ų118.774%0.74175%0.748SS**  trans52.9164.2149.5-70.30000121.3
88S34.4Very low33.4Very low118 Ų118120 Ų12083%0.82575%0.747SS**  cis-152167.6-8.5-115.60000107.6
89G32.9Very low33.5Very low70 Ų70125.1 Ų125.172%0.72275%0.749SS**  cis-172.8176.82.400000109.4
90Q29Very low33.5Very low183 Ų183124 Ų12486%0.85575%0.749SS**  trans-117.1171.3-170.2-58177.5-1700113.6
91S29.4Very low32.8Very low97 Ų97122 Ų12268%0.67875%0.751SS**  trans74.3156.7145.9-64.80000118
92V32.5Very low32.5Very low129 Ų129121.3 Ų121.378%0.78275%0.752SS**  cis-159.2164.5-8.3-105.20000111.8
93S28.8Very low32.4Very low101 Ų101124.9 Ų124.971%0.70676%0.759SS**  trans6.2156.7132.7-152.30000120.7
94S33.8Very low32Very low81 Ų81125.9 Ų125.957%0.56676%0.76SS**  cis-175.7165.6-24.6-75.80000108.9
95H33.6Very low32.8Very low182 Ų182123.1 Ų123.184%0.84375%0.754SS**  trans71.8179.6171.8-45.8-68.5000115.1
96S31.3Very low32.8Very low119 Ų119123 Ų12383%0.83276%0.76SS**  cis-151.9-164.210.9-158.70000113.8
97S39.7Very low32.5Very low103 Ų103121.6 Ų121.672%0.7277%0.767SS**  trans-132.6165.8-170.958.30000115.4
98S35.7Very low32.6Very low97 Ų97127.4 Ų127.468%0.67877%0.772SS**  trans-169.5174.8157.1-73.30000108.4
99F30.8Very low32.5Very low178 Ų178127.9 Ų127.978%0.78177%0.771SS**  cis-143.7141.210.6-86.2-67.8000108.2
100T34.6Very low32.3Very low120 Ų120128.3 Ų128.374%0.73678%0.775SS**  56.1146.686.175.80000117.3
101C25.5Very low32.7Very low115 Ų115127.8 Ų127.878%0.77778%0.778SS**  cis-143.3148.54.635.50000109.1
102V26.6Very low32.8Very low133 Ų133126.9 Ų126.981%0.80678%0.784SS**  78.1101.454-179.30000114.9
103T31.5Very low32.6Very low148 Ų148124.8 Ų124.891%0.90879%0.789SS**  trans-156.6151.5146.613.90000110.9
104D27.6Very low32.7Very low152 Ų152126.2 Ų126.281%0.81380%0.799SS**  trans-124.3-177.9-173-114.8-44.2000109
105P52.2Low32.4Very low101 Ų101125.7 Ų125.766%0.65681%0.806SS**  cis-135.1-164.4-16.832.9-11000113.4
106T31.2Very low32.4Very low143 Ų143125.4 Ų125.488%0.87781%0.809SS**  trans95.3133.6155.3-41.40000118.2
107G29.4Very low32.4Very low77 Ų77124.8 Ų124.879%0.79480%0.804SS**  trans145.3122.9164.500000113.7
108R33.3Very low32.8Very low228 Ų228125.3 Ų125.386%0.8681%0.805SS**  trans-133.3135.2-178.8-179.9176.3177.4-109.16.8111.2
109T32.9Very low33.6Very low129 Ų129126 Ų12679%0.79181%0.807SS**  trans61.2129.216843.70000119
110G29.9Very low33.4Very low79 Ų79123.3 Ų123.381%0.81481%0.805SS**  trans-168142.4165.100000109
111N36Very low33.4Very low171 Ų171123.9 Ų123.991%0.91481%0.809SS**  trans-149.4133.2-169.2-173.949.1000112.7
112G31.8Very low33.9Very low78 Ų78123.9 Ų123.980%0.80481%0.805SS**  trans85.2144167.700000117
113G27.4Very low34.2Very low86 Ų86124.3 Ų124.389%0.88781%0.808SS**  trans179135.2173.600000110.1
114S31.6Very low34.2Very low131 Ų131120.3 Ų120.392%0.91680%0.795SS**  trans-110.2158.6-172.3-161.20000112.9
115G27.9Very low34.5Very low69 Ų69122.9 Ų122.971%0.71180%0.8SS**  trans-89-171.8-16600000117
116I32.6Very low33.7Very low177 Ų177129.6 Ų129.691%0.90881%0.812SS**  trans-145.2147.7178.4-33.5176000110.3
117S31.5Very low33.9Very low106 Ų106132.3 Ų132.374%0.74181%0.806SS**  trans-151.9159.416664.80000107.9
118P49.7Very low34.1Very low114 Ų114135 Ų13574%0.7480%0.798SS**  -146.9-138.465.942.2-19.3000110.4
119P51.1Low34.2Very low111 Ų111130.4 Ų130.472%0.72180%0.795SS**  cis-118.8150.7-22.530.7-10.2000114.4
120V28Very low34.1Very low121 Ų121133 Ų13373%0.73380%0.798SS**  75.5109.469-179.30000117.1T122V120-T122 HydrophobicContact CG1-CG2 4.41Å
121V34.3Very low34.2Very low133 Ų133132.8 Ų132.881%0.80680%0.797SS**  trans-164106.4140.9-93.30000107.8
122T35Very low34.1Very low115 Ų115129.4 Ų129.471%0.70679%0.792SS**  67.1135.379.660.90000115.7V120V120-T122 HydrophobicContact CG1-CG2 4.41Å
123V32.4Very low35.1Very low142 Ų142131.3 Ų131.386%0.86179%0.791SS**  cis-167.2161.1-7.71160000107.6
124G32.7Very low35.4Very low63 Ų63131.9 Ų131.965%0.64979%0.787SS**  cis143.268-1.100000115.3
125K34.3Very low35.5Very low207 Ų207133.4 Ų133.490%0.979%0.785SS**  trans-143.6141.4172.7-81.5176.1179.2169.10110.4
126R34.3Very low35.7Very low242 Ų242133.5 Ų133.591%0.91379%0.786SS**  cis-120162.13-92.5-179169.2-109.45112.6
127R35.4Very low35.6Very low199 Ų199128.4 Ų128.475%0.75178%0.777SS**  trans-104.6178179.1-77.3164.9166-101.5-3.5110.1
128E33.7Very low35.7Very low133 Ų133135.6 Ų135.662%0.62179%0.788SS**  cis-163.4163.1-19.3-98.6156.216000103.5
129T36.1Very low34.8Very low132 Ų132134.2 Ų134.281%0.8179%0.794SS**  -176.4-147.973.647.20000108.7
130E30.6Very low33.8Very low183 Ų183132.7 Ų132.786%0.85580%0.799SS**  -169.5160.9-90.6-172.1160.6-136.700110.8
131G31.9Very low34Very low76 Ų76130.9 Ų130.978%0.78480%0.804SS**  trans106.5126.2153.400000120.2
132A34.8Very low34.1Very low99 Ų99129.2 Ų129.282%0.81881%0.805SS**  trans-124.5174.7146.600000106.2
133P51.1Low34Very low119 Ų119131.8 Ų131.877%0.77381%0.809SS**  cis-144.2-152.920.344.5-22.6000114.5
134A35.3Very low34.2Very low98 Ų98130.1 Ų130.181%0.8181%0.81SS**  trans65.3174.1163.700000116.6
135D32.8Very low34.3Very low162 Ų162129.8 Ų129.887%0.86681%0.806SS**  cis-162.4151.6-45.1175.134.7000106.8
136G31.9Very low34.4Very low71 Ų71129.9 Ų129.973%0.73280%0.801SS**  trans66.4171.8-176.100000115.5
137G30.7Very low34.4Very low70 Ų70121.4 Ų121.472%0.72279%0.789SS**  cis167.3128.3-1200000114.1
138R33.7Very low34.6Very low257 Ų257122.2 Ų122.297%0.9779%0.792SS**  trans65.3127.7163.3-62.3173.4166.4-95.8-0.5120.1
139G31.6Very low34.6Very low85 Ų85122.8 Ų122.888%0.87680%0.795SS**  trans86.4155.2150.800000117.1
140G29.6Very low34.6Very low79 Ų79127 Ų12781%0.81480%0.796SS**  cis160.5110-11.900000114.8
141G32.1Very low35Very low83 Ų83124 Ų12486%0.85680%0.795SS**  trans77.7161.7176.500000114.7
142A35.8Very low35.1Very low98 Ų98124.3 Ų124.381%0.8179%0.791SS**  cis-149.9123.9-15.100000108.1
143E33.7Very low35.4Very low170 Ų170130 Ų13079%0.79479%0.791SS**  42.4102.3100.7-164.4-178.6-178.300117.5
144A37.2Very low35.1Very low106 Ų106130.6 Ų130.688%0.87680%0.798SS**  -171.6129.8128.800000110.8
145G33.2Very low35.5Very low56 Ų56133.2 Ų133.258%0.57780%0.796SS**  cis172.3150-16.800000115.2
146R37.2Very low35.8Very low209 Ų209129.5 Ų129.579%0.78979%0.789SS**  trans71.6150.4162.7-40.8-165.1-166.4-49.93.4117.1
147G34.9Very low36.5Very low65 Ų65131.3 Ų131.367%0.6780%0.796SS**  cis-94.4156.3-15.700000111.7
148R38.7Very low36.9Very low216 Ų216136.1 Ų136.182%0.81580%0.8SS**  55.1130.860.2-59.6-161.6-170.9-73.34.9111.8
149Q34.7Very low37.3Very low144 Ų144131.9 Ų131.967%0.67380%0.797SS**  cis-157133.428.9-168.6168.13.800113.8
150R35.4Very low37.5Very low221 Ų221131.8 Ų131.883%0.83479%0.788SS**  trans45.4137.8152.1-61.1173.3-176.8159.8-0.6118.5
151S39.2Very low38Very low119 Ų119136.7 Ų136.783%0.83279%0.787SS**  cis-155.7161.147.7-162.70000113.6
152A33.3Very low38.2Very low84 Ų84142.5 Ų142.569%0.69479%0.789SS**  trans-89143.2-17900000112.5
153R42.4Very low38.4Very low218 Ų218145.9 Ų145.982%0.82379%0.785SS**  trans-178.657.4134.2-98.4166.4-163.8-80.92.8113.1I155R153-I155 PolarHBondContact O-N 3.43Å
154S43.9Very low38.7Very low132 Ų132146.9 Ų146.992%0.92378%0.782SS**  trans-7635.7165.8-1550000112.9
155I44.2Very low38.6Very low152 Ų152150.1 Ų150.178%0.77978%0.779SS**  trans-144.475.4174.5-51.7-179.3000107.4R153R153-I155 PolarHBondContact O-N 3.43Å
156A39.3Very low38.9Very low85 Ų85156 Ų15670%0.70278%0.784SS**  trans-151.6-1.4173.600000113.9Q158A156-Q158 VanDerWaalsContact C-N 3.35Å
157A46.7Very low38.8Very low108 Ų108150.7 Ų150.789%0.89378%0.779SS**  trans-94.319.6-178.500000113.7
158Q39.1Very low38.9Very low172 Ų172155.1 Ų155.180%0.80479%0.786SS**SBendtrans-113.7128.7170.7-68.1-173.3-4.400109.1A156A156-Q158 VanDerWaalsContact C-N 3.35Å
159N40.4Very low38.7Very low168 Ų168148.8 Ų148.890%0.89878%0.775SS**SBendtrans66.373.1-177.8-61.2-47.2000117
160A36.4Very low38.6Very low83 Ų83148.3 Ų148.369%0.68678%0.782SS**SBendtrans-138.8128.1149.300000110.6
161F40.5Very low38.8Very low182 Ų182142.6 Ų142.680%0.79877%0.773SS**  trans42.272.2165.4-58.2-72.5000119.2F163F161-F163 VanDerWaalsContact C-N 3.27Å; F161-F163 HydrophobicContact CD1-CD2 4.44Å; F161-F163 PolarHBondContact O-N 2.8Å
162K36.9Very low38.7Very low205 Ų205143.7 Ų143.789%0.89178%0.775SS**  trans-60.792142.2-68.4-179.1179.71800108.5R164K162-R164 VanDerWaalsContact C-N 3.26Å; K162-R164 PolarHBondContact O-N 3.13Å
163F39.5Very low38.5Very low168 Ų168146 Ų14674%0.73778%0.776SS**  trans-76.583.6177-137.5-84.5000110.5F161 E165F161-F163 VanDerWaalsContact C-N 3.27Å; F161-F163 HydrophobicContact CD1-CD2 4.44Å; F161-F163 PolarHBondContact O-N 2.8Å; F163-E165 PolarHBondContact O-N 2.46Å
164R39.1Very low37.9Very low192 Ų192140.7 Ų140.773%0.72577%0.772SS**  trans-51.7107.5174-179.9-177.1-169.6-121.95.3109.8K162 R166K162-R164 VanDerWaalsContact C-N 3.26Å; K162-R164 PolarHBondContact O-N 3.13Å; R164-R166 PolarHBondContact O-N 3.39Å
165E35.7Very low37.2Very low174 Ų174137.8 Ų137.881%0.81376%0.763SS**  trans-55.3115.6169.4-66.8-166.9163.300108.7F163 S167F163-E165 PolarHBondContact O-N 2.46Å; E165-S167 PolarHBondContact O-N 2.93Å
166R38.7Very low36.5Very low179 Ų179135.5 Ų135.568%0.67576%0.761SS**  trans-83.371.4178.4-79.2-174.3171.584.9-10.5109.5R164 L168R164-R166 PolarHBondContact O-N 3.39Å; R166-L168 PolarHBondContact O-N 3.35Å
167S35.5Very low35.9Very low98 Ų98141 Ų14169%0.68577%0.769SS**  trans-60.788.9151.6-66.20000108.1E165 S169E165-S167 PolarHBondContact O-N 2.93Å; S167-S169 PolarHBondContact O-N 3.35Å
168L38.3Very low35.1Very low158 Ų158141.5 Ų141.583%0.82777%0.765SS**  trans-77.573.9166.3-75.7178.8000108.6R166R166-L168 PolarHBondContact O-N 3.35Å
169S34.6Very low34.4Very low82 Ų82141.5 Ų141.557%0.57376%0.763SS**  trans-69.1155.9156.747.80000109.9S167 P171S167-S169 PolarHBondContact O-N 3.35Å; S169-P171 VanDerWaalsContact C-CD 3.4Å; S169-P171 WeakPolarHBondContact O-CD 3.28Å
170T31.9Very low33.8Very low135 Ų135140 Ų14083%0.82876%0.759SS**  trans-109.783.3155.351.10000108.6T172T170-T172 PolarHBondContact O-N 3.42Å
171P40.1Very low33.4Very low100 Ų100143.5 Ų143.565%0.64976%0.762SS**  trans-85.494.1166.133.1-22.8000107.4S169 D173S169-P171 VanDerWaalsContact C-CD 3.4Å; S169-P171 WeakPolarHBondContact O-CD 3.28Å; P171-D173 PolarHBondContact O-N 2.94Å
172T35.6Very low32.8Very low143 Ų143139 Ų13988%0.87776%0.759SS**  trans-78.2104.5167.8-49.20000107.6T170T170-T172 PolarHBondContact O-N 3.42Å
173D29.4Very low32.3Very low133 Ų133138.3 Ų138.371%0.71176%0.761SS**  trans-93.5163178.217652.9000112.1P171P171-D173 PolarHBondContact O-N 2.94Å
174S29.3Very low31.8Very low105 Ų105136.7 Ų136.773%0.73476%0.764SS**  trans73.8141.9163.7-75.70000119
175G30.3Very low31.4Very low72 Ų72135 Ų13574%0.74277%0.766SS**  trans93.973.7-174.100000112.2
176S29.1Very low31Very low104 Ų104131.4 Ų131.473%0.72775%0.753SS**  4691.363.1179.50000113.2
177F27.8Very low30.8Very low199 Ų199128.2 Ų128.287%0.87375%0.746SS**  trans-167.9118.2131.3-97.8-64.5000109.9
178C28.7Very low30.8Very low120 Ų120126.7 Ų126.781%0.81173%0.728SS**  trans-83124.3159.6-58.20000107.6
179F25.3Very low30.5Very low172 Ų172126.8 Ų126.875%0.75472%0.723SS**  trans-170.989.4151.1-114.5-73.9000112E181F179-E181 WeakPolarHBondContact CE1-O 3.49Å
180T27.4Very low30.2Very low135 Ų135129.2 Ų129.283%0.82873%0.726SS**  -96.8141.4110.752.70000105
181E28.2Very low30.2Very low157 Ų157131.2 Ų131.273%0.73473%0.725SS**  cis-152.3141.320-161.1167.3127.300108.9F179F179-E181 WeakPolarHBondContact CE1-O 3.49Å
182A27.5Very low29.7Very low89 Ų89132.7 Ų132.774%0.73672%0.723SS**  trans-81.7127.517800000110.3V184A182-V184 PolarHBondContact O-N 2.83Å
183M26Very low29.4Very low189 Ų189131.7 Ų131.793%0.93171%0.713SS**  trans-81.1113.5-178.4-62.7179.6-177.500112
184V28.5Very low29.4Very low135 Ų135134.9 Ų134.982%0.81872%0.716SS**  trans-139.696.3149.6-177.90000104.4A182A182-V184 PolarHBondContact O-N 2.83Å
185M31.6Very low29.6Very low155 Ų155137.5 Ų137.576%0.76472%0.721SS**  66.182.773.8-1607290.800112.4
186D27.9Very low29.7Very low100 Ų100137.3 Ų137.354%0.53572%0.719SS.*  trans71.7126.2131.6-158.7-9.1000119.5H657D186-H657 VanDerWaalsContact CA-NE2 3.34Å; D186-H657 WeakPolarHBondContact CA-NE2 3.15Å; D186-H657 WeakPolarHBondContact CB-CE1 3.15Å; D186-H657 WeakPolarHBondContact CB-NE2 3.27Å; D186-H657 PolarHBondContact O-CE1 1.84Å; D186-H657 PolarHBondContact O-NE2 3.21Å; D186-H657 VanDerWaalsContact O-NE2 3.13Å; D186-H657 IonicContact OD1-CD2 3.76Å; D186-H657 IonicContact OD1-CE1 2.8Å; D186-H657 IonicContact OD1-NE2 2.83Å; D186-H657 PolarHBondContact OD1-NE2 3.21Å; D186-H657 IonicContact OD2-CD2 3.96Å; D186-H657 IonicContact OD2-NE2 3.61Å; D186-H657 PolarHBondContact OD2-NE2 2.89Å
187H32.9Very low29.9Very low112 Ų112140.8 Ų140.852%0.51972%0.723SS.*  trans-166.987.9149.8-111.165.5000111.1H657H187-H657 WeakPolarHBondContact CA-NE2 3.26Å; H187-H657 AromaticContact CE1-CE1 3.39Å; H187-H657 PolarHBondContact CE1-CE1 3.45Å; H187-H657 AromaticContact CE1-ND1 3.35Å; H187-H657 PolarHBondContact CE1-ND1 3.38Å; H187-H657 VanDerWaalsContact CE1-ND1 3.35Å; H187-H657 PolarHBondContact N-NE2 3.26Å; H187-H657 AromaticContact ND1-CE1 2.93Å; H187-H657 PolarHBondContact ND1-CE1 3.07Å; H187-H657 AromaticContact ND1-ND1 3.67Å; H187-H657 AromaticContact ND1-NE2 3.76Å
188H36.6Very low30Very low66 Ų66134.2 Ų134.231%0.30671%0.712SS.*  trans66.3115.3161.6-44.5-65.6000116.2H657 L660H188-H657 AromaticContact CE1-CD2 3.35Å; H188-H657 PolarHBondContact CE1-CD2 2.75Å; H188-H657 AromaticContact NE2-CD2 3.72Å; H188-L660 HydrophobicContact CB-CD1 4.32Å
189Q32.2Very low30.2Very low159 Ų159136 Ų13674%0.74371%0.709SS**  70.490.564.1-166.5154.351.900114.2
190E27.4Very low30.7Very low133 Ų133134.2 Ų134.262%0.62171%0.707SS**  trans46.1129.7135.3-60.7176.5-144.300121.3
191H31.4Very low30.9Very low177 Ų177138.9 Ų138.982%0.81971%0.711SS**  -152.2128.7106.4-103.2-75.6000111.5
192H29.6Very low31Very low131 Ų131135.5 Ų135.561%0.60671%0.71SS**  7.3139.8129.3-69.9-76.6000117.6
193N31.2Very low31.4Very low122 Ų122139 Ų13965%0.65272%0.716SS**  cis-169.9164.427.2-120.9-12.9000113.9
194Y29.2Very low31.8Very low200 Ų200137.9 Ų137.978%0.78471%0.713SS**  trans75123.7144.5-93.3-123.6000123.9
195L32.2Very low32Very low160 Ų160142.7 Ų142.784%0.83872%0.718SS**  98.6117.1126.5-16366.7000119.5
196G32.4Very low32.6Very low68 Ų68141 Ų14170%0.70172%0.719SS**  trans164.7118.7166.300000113.5
197H33.3Very low32.7Very low177 Ų177148 Ų14882%0.81974%0.738SS**  trans-61.9157.6165.8-63.1-119.1000109.9
198G31.4Very low32.6Very low62 Ų62146.3 Ų146.364%0.63975%0.75SS**  cis136.6159.55.600000111.1
199E31.9Very low32.3Very low157 Ų157148.8 Ų148.873%0.73478%0.775SS**  trans60167.4157.762.6177.197.700122.3
200N36.2Very low32.5Very low135 Ų135146.2 Ų146.272%0.72277%0.774SS**  trans73.190167.6-59.3-51.3000120.8
201Y32.1Very low33.2Very low232 Ų232148.7 Ų148.791%0.9179%0.786SS**  trans-59.5166.7151.9-85.1-112.8000113.5
202A30.6Very low33.5Very low87 Ų87147.7 Ų147.772%0.71979%0.786SS**  trans99.4157.7143.700000119.6
203L34.5Very low34Very low162 Ų162147.6 Ų147.685%0.84880%0.801SS**  trans64.691.6169.6-50.5-174.6000117.6
204L35.4Very low34.1Very low166 Ų166146.6 Ų146.687%0.86981%0.809SS**  trans-164.980.5137.2-105.1156.3000110.5P206L204-P206 WeakPolarHBondContact O-CD 3.34Å
205Y32.9Very low34.2Very low235 Ų235142.1 Ų142.192%0.92281%0.807SS**  trans-104.6103.7167.5-92.6-81.6000109.4R207Y205-R207 PolarHBondContact O-N 2.99Å; Y205-R207 VanDerWaalsContact O-N 3.15Å
206P42.6Very low34.4Very low121 Ų121140.5 Ų140.579%0.78680%0.804SS**  trans-70.4107.5170.8-18.132.7000110.3L204L204-P206 WeakPolarHBondContact O-CD 3.34Å
207R29.9Very low34.6Very low247 Ų247144 Ų14493%0.93281%0.812SS**PPolyproline II helixtrans-82.7129.7165.5-169.8173.9-176130.1-1.5108.2Y205Y205-R207 PolarHBondContact O-N 2.99Å; Y205-R207 VanDerWaalsContact O-N 3.15Å
208G31.8Very low34.6Very low76 Ų76143.1 Ų143.178%0.78481%0.814SS**PPolyproline II helixtrans-65.8146.5-171.600000114.5
209S29.7Very low34.9Very low117 Ų117146.8 Ų146.882%0.81882%0.824SS**PPolyproline II helixtrans-93.8169.4159.9-166.10000110.4
210S37.1Very low35.1Very low105 Ų105147.1 Ų147.173%0.73483%0.829SS**  trans-132.5118.9-177.1-179.40000109.7
211E41.6Very low34.9Very low185 Ų185146.4 Ų146.486%0.86484%0.835SS**  trans-133.4102.4179.4-66.7-176.5106.100110.1
212D38.9Very low34.9Very low156 Ų156141 Ų14183%0.83483%0.826SS**  trans-84.2123.3167.8-87.7-56.3000109.6
213S38.4Very low35Very low130 Ų130143.1 Ų143.191%0.90983%0.83SS**  trans-162.4154.9159.6-86.60000111.4
214A33.7Very low34.8Very low100 Ų100140.3 Ų140.383%0.82683%0.829SS**  trans-121.3129.7-164.400000114.4
215S32.6Very low34.6Very low107 Ų107138.1 Ų138.175%0.74883%0.828SS**  trans-171.9115.6157.237.60000107.5
216T35.3Very low34.8Very low126 Ų126134.6 Ų134.677%0.77383%0.825SS**  67.9128.175.562.40000116
217T36.6Very low34.4Very low142 Ų142139.4 Ų139.487%0.87183%0.829SS**  trans78.8151.5170.6660000118.9
218D33.3Very low34.6Very low158 Ų158132.7 Ų132.785%0.84582%0.82SS**  trans-96.1137.5-164.9-47.2-107.6000113.5
219T37.5Very low34.6Very low139 Ų139135.2 Ų135.285%0.85382%0.821SS**  trans-135.4129.5152.448.70000112
220I36.9Very low34.9Very low163 Ų163138.6 Ų138.684%0.83682%0.824SS**  trans-73.1140.7169.36172.9000110.1
221S31.9Very low34.8Very low121 Ų121136.1 Ų136.185%0.84682%0.815SS**  trans-143.1140.4159.9-800000110.1
222V32.3Very low35.2Very low119 Ų119139.3 Ų139.372%0.72182%0.819SS**  trans-136.3124-171167.30000109
223T32.8Very low35.3Very low131 Ų131139.1 Ų139.180%0.80482%0.817SS**  trans40113.7163.659.40000119.8
224A30.5Very low35.7Very low102 Ų102143.7 Ų143.784%0.84381%0.814SS**  trans-172.1104.7136.100000111.7
225S30.2Very low36Very low121 Ų121147.5 Ų147.585%0.84682%0.82SS**  trans177.985.9154.458.50000111.3
226D37.3Very low36.7Very low161 Ų161153.5 Ų153.586%0.86183%0.826SS**  trans-92.8121163.1-68.1-66000108.9
227Y34.5Very low37.4Very low221 Ų221152.7 Ų152.787%0.86783%0.826SS**  trans172.6133139.3-115.6-87.4000112.1
228S33.1Very low38.3Very low106 Ų106157.4 Ų157.474%0.74183%0.827SS**  trans56.6148.9155.3-82.30000120.5
229T32.8Very low39.2Very low129 Ų129155.3 Ų155.379%0.79183%0.825SS**  cis-127.8170.31.746.40000112.3G231T229-G231 PolarHBondContact O-N 2.87Å
230E35.5Very low40.5Very low189 Ų189155.5 Ų155.588%0.88382%0.819SS**  trans-60.6125.5-178-16060.5-147.800113.5
231G35.3Very low41.5Very low53 Ų53152.7 Ų152.755%0.54681%0.814SS.*  trans-157.398.4-177.700000112.2T229 L233T229-G231 PolarHBondContact O-N 2.87Å; G231-L233 VanDerWaalsContact C-N 3.33Å; G231-L233 PolarHBondContact O-N 3.06Å
232R48.9Very low43.2Very low251 Ų251153.8 Ų153.895%0.94781%0.81SS**  trans-65.274.8-167.7-167.2-176.2-173.7178.44.5114.4
233L42.5Very low45Very low153 Ų153157.5 Ų157.580%0.80182%0.816SS**  trans-84.8138176.1-68.1179.2000112.4G231G231-L233 VanDerWaalsContact C-N 3.33Å; G231-L233 PolarHBondContact O-N 3.06Å
234R46.1Very low47Very low226 Ų226160.8 Ų160.885%0.85382%0.82SS**  trans-63138.3-173-60.9168.4-179.980.70111R236R234-R236 VanDerWaalsContact C-N 3.35Å; R234-R236 PolarHBondContact O-N 2.99Å
235L40.9Very low48.4Very low179 Ų179160.9 Ų160.994%0.93781%0.814SS**  trans-60.792.1172.8-93.869.4000110.8S237L235-S237 PolarHBondContact O-N 2.86Å
236R47.3Very low50.2Low233 Ų233166 Ų16688%0.87982%0.821SS**  trans-68123.8170.6-172.9170.6178.5138.6-3.8108.2R234 R238R234-R236 VanDerWaalsContact C-N 3.35Å; R234-R236 PolarHBondContact O-N 2.99Å; R236-R238 PolarHBondContact O-N 2.94Å
237S49.5Very low52.2Low110 Ų110168.5 Ų168.577%0.76982%0.819SS**  trans-54.7123.7-173.940.70000111.8L235 S239L235-S237 PolarHBondContact O-N 2.86Å; S237-S239 PolarHBondContact O-N 3.03Å
238R54.9Low54.3Low240 Ų240167 Ų16791%0.90682%0.817SS**  trans-70.994.4-179.8-63.617879.1164.85109.1R236 I240R236-R238 PolarHBondContact O-N 2.94Å; R238-I240 PolarHBondContact O-N 2.94Å
239S52.3Low56.6Low114 Ų114167.4 Ų167.480%0.79782%0.816SS**  trans-65.6104.9178.742.50000110.9S237 S241S237-S239 PolarHBondContact O-N 3.03Å; S239-S241 PolarHBondContact O-N 3.4Å; S239-S241 VanDerWaalsContact O-N 3.09Å
240I64.9Low58.6Low143 Ų143166.6 Ų166.673%0.73381%0.814SS**  trans-66.9109178.154.5171.7000110.5R238 L242R238-I240 PolarHBondContact O-N 2.94Å; I240-L242 HydrophobicContact CD1-CD2 4.3Å; I240-L242 PolarHBondContact O-N 3.07Å
241S57.9Low60.6Low104 Ų104162.8 Ų162.873%0.72781%0.805SS**  trans-77.986.917851.10000110.4S239 K243S239-S241 PolarHBondContact O-N 3.4Å; S239-S241 VanDerWaalsContact O-N 3.09Å; S241-K243 VanDerWaalsContact C-N 3.31Å; S241-K243 PolarHBondContact O-N 2.96Å
242L67.7Low62.4Low145 Ų145166.4 Ų166.476%0.75982%0.819SS**  trans-64.688.2175.3-63.8-178.3000110.6I240 K244I240-L242 HydrophobicContact CD1-CD2 4.3Å; I240-L242 PolarHBondContact O-N 3.07Å; L242-K244 PolarHBondContact O-N 3.24Å
243K71Confident63.7Low196 Ų196161.2 Ų161.285%0.85282%0.815SS**  trans-58.8104.7173-74.7-176.1177.3177.10109.1S241 S245S241-K243 VanDerWaalsContact C-N 3.31Å; S241-K243 PolarHBondContact O-N 2.96Å; K243-S245 PolarHBondContact O-N 2.79Å
244K73.7Confident65.1Low201 Ų201163.3 Ų163.387%0.87481%0.812SS**  trans-52.6129.6177.4-58.7-177.471.6167.30109.3L242 K246L242-K244 PolarHBondContact O-N 3.24Å; K244-K246 PolarHBondContact O-N 3.38Å
245S59.8Low65.8Low104 Ų104158.2 Ų158.273%0.72781%0.811SS**  trans-58.2129.6179.147.20000110.2K243 R247K243-S245 PolarHBondContact O-N 2.79Å; S245-R247 PolarHBondContact O-N 3.11Å
246K68.7Low66.7Low227 Ų227154.6 Ų154.699%0.98780%0.796SS**SBendtrans-714.7-174.8-124.4179.6-177.2-177.80114K244K244-K246 PolarHBondContact O-N 3.38Å
247R79.7Confident67Low215 Ų215149 Ų14981%0.81179%0.792SS**SBendtrans-110.6124.3-178.2-170.8178.6-172.9178.83.3108.7S245S245-R247 PolarHBondContact O-N 3.11Å
248K78.7Confident67.1Low190 Ų190152 Ų15283%0.82680%0.799SS**PPolyproline II helixtrans-57.5139.6172.2-62.5179.8-178.61780109.3
249P80.1Confident66.7Low113 Ų113148.5 Ų148.573%0.73480%0.795SS**PPolyproline II helixtrans-61.1150.5169.328.3-34.3000109.9
250P75.7Confident66.8Low113 Ų113152 Ų15273%0.73480%0.796SS**PPolyproline II helixtrans-62.6150.5171.629-34.4000110.3
251P77.9Confident65.9Low108 Ų108152.2 Ų152.270%0.70180%0.799SS**PPolyproline II helixtrans-63.4147.8174.428.3-34.7000110.5V253P251-V253 PolarHBondContact O-N 3.39Å
252P73.3Confident65.3Low130 Ų130154.9 Ų154.984%0.84480%0.804SS**PPolyproline II helixtrans-61.1131176.525.8-33.6000110.3R254P252-R254 PolarHBondContact O-N 3.29Å
253V74.4Confident63.8Low141 Ų141151.3 Ų151.386%0.85580%0.802SS**  trans-76.6112.8-178.7-179.90000109.1P251 S255P251-V253 PolarHBondContact O-N 3.39Å; V253-S255 PolarHBondContact O-N 2.98Å
254R72.7Confident62.3Low197 Ų197151.7 Ų151.774%0.74381%0.807SS**  trans-66.7117.8170.858.6-174.8175.589.20.6110P252 V256P252-R254 PolarHBondContact O-N 3.29Å; R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 VanDerWaalsContact NH1-CG2 3.35Å; R254-V256 PolarHBondContact O-N 3.32Å
255S61.1Low60.9Low119 Ų119146.5 Ų146.583%0.83280%0.801SS**  trans-76.481.1178.753.40000111V253V253-S255 PolarHBondContact O-N 2.98Å
256V59.1Low59.9Low103 Ų103150.6 Ų150.662%0.62481%0.809SS**  trans-104.8100.4166.3-69.70000109.9R254R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 VanDerWaalsContact NH1-CG2 3.35Å; R254-V256 PolarHBondContact O-N 3.32Å
257S52.9Low58.4Low115 Ų115143.1 Ų143.180%0.80480%0.797SS**  trans-129.290.2168.2-70.50000107.9
258L52Low56.5Low175 Ų175144.5 Ų144.592%0.91680%0.802SS**  trans-63.9136.4160.5-66.1175.7000107.7K260L258-K260 PolarHBondContact O-N 3.32Å; L258-K260 VanDerWaalsContact O-N 3.11Å
259M48.1Very low54.5Low165 Ų165144 Ų14481%0.81381%0.807SS**  trans-69.4109.8-174.5-68.8168.261.400110N261M259-N261 PolarHBondContact O-N 2.96Å; M259-N261 VanDerWaalsContact O-N 3.14Å
260K54.1Low52.5Low189 Ų189148.2 Ų148.282%0.82281%0.809SS**  trans-75.196.5166.252.8144.8-172.1170.80109.4L258 L262L258-K260 PolarHBondContact O-N 3.32Å; L258-K260 VanDerWaalsContact O-N 3.11Å; K260-L262 PolarHBondContact O-N 2.8Å; K260-L262 VanDerWaalsContact O-N 3.12Å
261N45.4Very low50.5Low147 Ų147150.7 Ų150.779%0.78681%0.81SS**  trans-67.6109.1172.3-67.6-24.4000108.9M259M259-N261 PolarHBondContact O-N 2.96Å; M259-N261 VanDerWaalsContact O-N 3.14Å
262L44.8Very low48.1Very low160 Ų160149.2 Ų149.284%0.83882%0.815SS**  trans-117.4109.2165.4174.563.3000105.7K260K260-L262 PolarHBondContact O-N 2.8Å; K260-L262 VanDerWaalsContact O-N 3.12Å
263G37.1Very low46Very low70 Ų70147.4 Ų147.472%0.72282%0.819SS**  trans-169.742.1-165.400000113.8
264E38.2Very low44Very low203 Ų203144.4 Ų144.495%0.94982%0.817SS**  trans-101.486.4164.7-73.6-171.7154.300110
265A45.3Very low42.5Very low92 Ų92142.2 Ų142.276%0.7682%0.819SS**  trans-110.3155.6132.400000104.9
266E39.2Very low41.3Very low190 Ų190145.9 Ų145.989%0.88882%0.816SS**  cis-169.4169.243.3-176.5175.2171.100109.5
267G36.8Very low40.3Very low71 Ų71152.7 Ų152.773%0.73283%0.831SS**  trans64.3113143.600000120.3
268R38.7Very low39.5Very low243 Ų243155 Ų15592%0.91783%0.834SS**  trans-77.9131.8159-75.2-158.3-87.7-114.18.6111.2
269L38Very low38.6Very low180 Ų180150.1 Ų150.194%0.94283%0.825SS**  trans-148.4175.1139.7-79.8-167.5000109.5
270R37.2Very low38Very low202 Ų202152 Ų15276%0.76282%0.824SS**  trans-135.8167.5-163.2-65.6-130.9-52.1-151.52.4115.3
271H33.5Very low37.4Very low165 Ų165149.6 Ų149.676%0.76483%0.827SS**  trans81147.3162.8-64.3-82.7000118.1
272G28.1Very low37.5Very low77 Ų77150 Ų15079%0.79482%0.822SS**  trans115.6117.8172.100000113.3
273G30.3Very low37.6Very low91 Ų91148 Ų14894%0.93882%0.821SS**  trans-72.4143.7-175.900000114.3
274G31Very low38Very low78 Ų78152.1 Ų152.180%0.80483%0.826SS**  trans-164136.6173.300000109.8
275L42.6Very low38Very low152 Ų152150.2 Ų150.280%0.79682%0.817SS**  trans-91.9153.5-166.4-143.865.6000112.5
276Y34.9Very low38.2Very low196 Ų196151.8 Ų151.877%0.76981%0.811SS**  trans60.1114.3173.3-65.5-77.6000119.2
277R37.2Very low38.1Very low246 Ų246147.7 Ų147.793%0.92880%0.801SS**  trans-138.843.3161.3-71.3-62-70.1-143.9-6.8114
278D36.7Very low38.3Very low164 Ų164153.8 Ų153.888%0.87780%0.802SS**  trans-126.5120.4159.9-91.8-58.3000109.4
279G32.4Very low38.6Very low71 Ų71148.7 Ų148.773%0.73279%0.793SS**  trans-161.865.9-157.900000114.3
280R37.1Very low38.5Very low206 Ų206147.9 Ų147.978%0.77779%0.789SS**  trans-47.8129.1167.1178.2-176.3-172.6171.13.8110.5K282R280-K282 PolarHBondContact O-N 3.12Å
281P40.4Very low38.5Very low137 Ų137145.7 Ų145.789%0.8979%0.786SS**  trans-68.699.3179.227.2-33.9000111.1
282K47.3Very low38.8Very low156 Ų156143.4 Ų143.468%0.67879%0.785SS**  trans-118.2139.3163.9-78.4-173.5171.6-172.90108.3R280R280-K282 PolarHBondContact O-N 3.12Å
283S47.3Very low39.2Very low117 Ų117148.2 Ų148.282%0.81879%0.787SS**  trans55.8132.117151.90000118.2H285S283-H285 PolarHBondContact O-N 3.14Å
284L46.2Very low39.2Very low157 Ų157153.9 Ų153.982%0.82279%0.786SS**  trans-79.698.1171.7-174.9133.6000109.3I286L284-I286 HydrophobicContact CD2-CD1 3.79Å; L284-I286 HydrophobicContact CD2-CG1 3.74Å
285H38.8Very low39.3Very low164 Ų164156.4 Ų156.476%0.75978%0.777SS**  trans-92.4130.2175.9-167.582.1000110.5S283S283-H285 PolarHBondContact O-N 3.14Å
286I48.4Very low39.1Very low124 Ų124154.7 Ų154.764%0.63678%0.775SS**  trans-113.6115179.1-58.1174.4000107.7L284 R288L284-I286 HydrophobicContact CD2-CD1 3.79Å; L284-I286 HydrophobicContact CD2-CG1 3.74Å; I286-R288 PolarHBondContact O-N 3.11Å
287P37.4Very low38.9Very low105 Ų105150.5 Ų150.568%0.68277%0.766SS**  trans-58.7135.7170.9-22.734.1000110.7
288R41.4Very low38.9Very low198 Ų198148.3 Ų148.375%0.74776%0.764SS**  trans-126.860.1-170.6-161.9-163.4-171.9-168.74.3112.3I286I286-R288 PolarHBondContact O-N 3.11Å
289D43.8Very low39Very low137 Ų137146.9 Ų146.973%0.73376%0.755SS**  trans-104.2166.5171.5-65.6-67.3000111.3
290N35.7Very low39Very low162 Ų162150.2 Ų150.287%0.86676%0.756SS**  trans67.365.4179.9-51.1118.8000116.8
291F37.4Very low38.7Very low157 Ų157146.8 Ų146.869%0.68976%0.758SS**  trans-83148.3148.2-79.9-81.6000111
292P40.3Very low38.2Very low117 Ų117144.8 Ų144.876%0.7675%0.747SS**  trans-116.5120136.4-4.124.4000111.8
293E36.2Very low37.5Very low177 Ų177142.5 Ų142.583%0.82775%0.751SS**  48103.5127.7-166.5164.1-137.600119.8
294F31.2Very low36.7Very low210 Ų210141.7 Ų141.792%0.92175%0.745SS**  trans-157.7108.3134.9-116.9-74.4000110.5
295Q31.6Very low35.7Very low132 Ų132139.3 Ų139.362%0.61774%0.74SS**  trans-81162.8163.7-84.7-75.447.600110.3D297Q295-D297 PolarHBondContact NE2-OD1 2.98Å
296P38.5Very low35.3Very low116 Ų116136.6 Ų136.675%0.75374%0.74SS**  -136.7129.8106.835.5-24.7000113.9
297D30.7Very low34.3Very low108 Ų108135.9 Ų135.958%0.57875%0.746SS**  trans-77.9148.1179.8-46.4-97.4000113.1Q295Q295-D297 PolarHBondContact NE2-OD1 2.98Å
298F37.7Very low34.2Very low200 Ų200140.8 Ų140.888%0.87776%0.756SS**  trans-134.583.2153.8-88.2-75000110.7
299L38.9Very low33.5Very low134 Ų134136.4 Ų136.470%0.70276%0.763SS**  trans45.8101.8148.3-48.4-178.9000117.2
300L33.3Very low32.9Very low141 Ų141135.1 Ų135.174%0.73876%0.764SS**  64.2121.6100.8-67.1171.4000114.2
301T30.2Very low32.7Very low134 Ų134134.7 Ų134.782%0.82277%0.767SS**  -147.7138.970.5-560000113.1
302S30Very low32.3Very low94 Ų94130.7 Ų130.766%0.65777%0.77SS**  trans-30.9168.2151.4-37.50000115.3
303S33Very low31.7Very low109 Ų109132 Ų13276%0.76277%0.766SS**  cis-154.5170.9-1.3-141.70000106.3
304S29.8Very low31.5Very low99 Ų99132.3 Ų132.369%0.69276%0.76SS**  cis-159.9168.212.9-1520000110.8
305C25.6Very low31.4Very low108 Ų108129 Ų12973%0.7375%0.747SS**  trans-62.9156.4155.654.60000110.2
306S29.7Very low31.4Very low107 Ų107129.9 Ų129.975%0.74876%0.755SS**  171.117370.1-114.80000107.2
307S28.3Very low31Very low108 Ų108127.5 Ų127.576%0.75575%0.752SS**  cis-166.4171.1-11.4400000108.2
308K34.8Very low31.2Very low208 Ų208131.3 Ų131.390%0.90477%0.767SS**  trans-62.5147.5171.1-56.1176.8-177.7-179.40111.9
309A27.6Very low31Very low107 Ų107126 Ų12688%0.88477%0.767SS**  trans-149.1151.9152.300000109.7
310S30.2Very low30.7Very low109 Ų109122.9 Ų122.976%0.76277%0.768SS**  trans-124.8144.6179.954.60000110.6
311V30.6Very low30.8Very low153 Ų153123.5 Ų123.593%0.92777%0.772SS**  trans41.7112.1154-176.30000117.9
312G29.8Very low31.1Very low73 Ų73124.6 Ų124.675%0.75377%0.773SS**  trans147.9141.8159.900000111.6
313E27.3Very low31.3Very low146 Ų146123 Ų12368%0.68277%0.771SS**  cis-167.7128-12.8-164.1-143.5138.700106.6
314R33.3Very low32.2Very low183 Ų183123.9 Ų123.969%0.69178%0.775SS**  trans63.1170.9178.4-33.4-164.1-60.8-86.4-2.8113.2
315E27.6Very low33.2Very low139 Ų139124.4 Ų124.465%0.6578%0.775SS**  cis-158161.8-2.9-140.6165.5115.900109.9
316L33Very low33.4Very low151 Ų151124.1 Ų124.179%0.79178%0.775SS**  trans58.7112.8155.8-75.9153.9000123
317G30.4Very low33.7Very low67 Ų67126.1 Ų126.169%0.69178%0.777SS**  trans88.1163.2137.900000119.3
318Q34.7Very low33.8Very low188 Ų188129.4 Ų129.488%0.87978%0.78SS**  cis-164.7115.2-14.8-166.992.5-12.400110.9
319G33.4Very low33.6Very low87 Ų87124.4 Ų124.490%0.89777%0.767SS**  trans74.4158.4169.200000117.4
320G32.2Very low33.7Very low69 Ų69127.5 Ų127.571%0.71176%0.763SS**  cis151.7128.4-13.300000114.8
321N35.5Very low33.7Very low155 Ų155126.4 Ų126.483%0.82976%0.76SS**  trans58.9161.4165.2-67.81.7000117.5
322D36.7Very low34.2Very low156 Ų156124.6 Ų124.683%0.83475%0.752SS**  cis-127-179.5-7.2-88.2-56.6000107
323G33.8Very low34.1Very low61 Ų61129.6 Ų129.663%0.62976%0.755SS**  cis158.9150.25.200000108.5
324P50.7Low34.4Very low128 Ų128132.6 Ų132.683%0.83176%0.76SS**  trans-105.2-151.6-169.745.1-38.7000111.3
325P52Low34.2Very low109 Ų109131.8 Ų131.871%0.70877%0.765SS**  cis-139.4-156.4-8.942.6-22.1000114.7
326S30.1Very low34.5Very low103 Ų103129 Ų12972%0.7277%0.772SS**  trans73.1161.8156.9-770000118.7
327L35.5Very low34.4Very low149 Ų149130.2 Ų130.278%0.7877%0.774SS**  cis171.6173-34.1-108.3171000105.7
328E29.9Very low34.5Very low177 Ų177133.1 Ų133.183%0.82778%0.779SS**  trans67.4154.6163.3-78.6-166.3116.600118.1
329V31.8Very low34.3Very low103 Ų103131.8 Ų131.862%0.62477%0.773SS**  cis-160.9166.6-25.9960000110.6
330Q29.9Very low34.3Very low172 Ų172134.3 Ų134.380%0.80476%0.763SS**  trans60.8146168.5-1177656.900121
331A29.3Very low34.2Very low85 Ų85137.4 Ų137.470%0.70277%0.768SS**  trans-101.6161.3151.300000109.1
332P40.7Very low33.9Very low116 Ų116138 Ų13875%0.75376%0.763SS**  -147.9160.7107.438.5-23.4000116.7
333E27.9Very low34.2Very low178 Ų178135.8 Ų135.883%0.83276%0.758SS**  trans52.8116.5146.1-70.6-176.2-14300123.6
334R33.4Very low34.2Very low208 Ų208139 Ų13979%0.78577%0.766SS**  65.7133.2129.3-86.3-80.3-173.7134.4-0.5122
335E30.5Very low33.5Very low167 Ų167139.7 Ų139.778%0.7876%0.757SS**  trans69.5155.3160.2-70.7164.2-151.500115.7
336G32.9Very low32.5Very low79 Ų79144.7 Ų144.781%0.81476%0.762SS**  trans112.1111.6-173.700000114
337E31.1Very low32.6Very low177 Ų177148.5 Ų148.583%0.82777%0.769SS**  trans-80.8163.4174.957.6-153.4125.500114
338T33.2Very low32.5Very low129 Ų129149 Ų14979%0.79177%0.771SS**  trans89.4129160.367.70000122.8
339Q30.5Very low32.5Very low159 Ų159144.1 Ų144.174%0.74377%0.768SS**  trans86.2159.8140.4-108.3-178.419.500122.4
340M31.7Very low32.8Very low140 Ų140147.1 Ų147.169%0.6978%0.775SS**  trans70.4132.6-170.2-46.9-53.5151.500113.6
341T30.2Very low32.9Very low134 Ų134149 Ų14982%0.82278%0.775SS**  cis-137.5157.414.9-640000112.6
342F29.5Very low32.9Very low167 Ų167153.8 Ų153.873%0.73278%0.78SS**  trans-80.3-174.5-178.8-65.7-88.4000114.1
343P43.1Very low32.3Very low110 Ų110153.2 Ų153.271%0.71478%0.779SS**  cis-130.5161.9-10.920.13.2000115.6
344T33.5Very low32.4Very low130 Ų130152.2 Ų152.280%0.79878%0.779SS**  -170.6112.1120-77.90000110.6
345H36.2Very low33Very low141 Ų141149.5 Ų149.565%0.65378%0.78SS**  trans-59.4163.6163.55613.1000112
346W31.1Very low33.3Very low214 Ų214146.9 Ų146.981%0.81178%0.778SS**  cis-151.1169.813.98.9-112.4000109.6
347Q32.8Very low33.2Very low184 Ų184152.4 Ų152.486%0.8678%0.776SS**  trans-89.8151.8-171.3-66.8169.5-17.500114.2
348L33.1Very low33.4Very low160 Ų160153.1 Ų153.184%0.83877%0.771SS**  trans44.6110.6140.1-170.664.5000119.2
349G29.4Very low33.4Very low73 Ų73151.6 Ų151.675%0.75377%0.765SS**  trans-146.7125158.600000110.9
350E39.5Very low33.7Very low166 Ų166150.7 Ų150.778%0.77676%0.764SS**  trans-86.7-135.2173.2-58.4-173.5161.300110.8
351W31.6Very low33.6Very low211 Ų211149.4 Ų149.480%0.79977%0.769SS**  trans74.176.2165-56.481.9000119.1
352K29.8Very low33.7Very low186 Ų186146 Ų14681%0.80976%0.761SS**  27.2101.4120.6-64.3152.253.3-170.30118.5
353S28.2Very low33.8Very low105 Ų105143.6 Ų143.673%0.73477%0.765SS**  trans-174.7123.713829.10000109.2
354N29Very low33.6Very low156 Ų156143.9 Ų143.983%0.83477%0.769SS**  78.6101.971.3-67.8-27000113.8
355D45.2Very low33.8Very low151 Ų151144.1 Ų144.181%0.80777%0.771SS**  trans-55.8136.1164.3166.639.4000111.2Y357D355-Y357 PolarHBondContact OD1-N 3.09Å
356P38.5Very low33.7Very low112 Ų112141.8 Ų141.873%0.72778%0.776SS**  -142.2123119.633-16.6000115.7
357Y29.8Very low34Very low196 Ų196138.4 Ų138.477%0.76978%0.779SS**  trans102125.7134.1-115.1-119.9000121.3D355D355-Y357 PolarHBondContact OD1-N 3.09Å
358R34.7Very low34.3Very low192 Ų192133 Ų13373%0.72577%0.773SS**  trans69.6118.7152.6-83.6-176.6149.6-98.3-1.6119.1
359S34.8Very low34.6Very low96 Ų96132 Ų13267%0.67177%0.774SS**  86.7148.264-74.10000113.9
360L36.5Very low35.1Very low140 Ų140135.2 Ų135.273%0.73378%0.779SS**  cis-164.6161.211.9-126165.6000111.7
361S29.5Very low35.1Very low113 Ų113134 Ų13479%0.7978%0.782SS**  trans71.1142.2152.4-160.50000119.4
362G32.5Very low35.4Very low62 Ų62131.1 Ų131.164%0.63978%0.781SS**  cis160.5163.6-11.900000115.8
363S32Very low35.7Very low118 Ų118131.2 Ų131.283%0.82578%0.784SS**  trans77.8152.7167-51.50000119.8
364S38.1Very low36.3Very low115 Ų115131.7 Ų131.780%0.80479%0.786SS**  cis176.9123.6-46.2-101.70000112.6
365T37.2Very low36.6Very low135 Ų135132.9 Ų132.983%0.82879%0.789SS**  trans-150.9108.6151.348.40000108.2
366A34.5Very low36.2Very low93 Ų93135.6 Ų135.677%0.76979%0.794SS**  68.7117.68300000112.9
367T37.3Very low36Very low142 Ų142136.9 Ų136.987%0.87180%0.799SS**  cis-153.3137.12.3-670000110.3
368G39.9Very low36.3Very low70 Ų70138.2 Ų138.272%0.72280%0.803SS**  trans-137.8141.4172.700000111.5
369T39.5Very low36.2Very low140 Ų140134.1 Ų134.186%0.85980%0.803SS**  trans-81.4136.3-173.947.60000112.8
370T39.8Very low36Very low140 Ų140133.6 Ų133.686%0.85980%0.8SS**  trans-72.9147.7-179.444.40000113.6
371V38.8Very low35.7Very low140 Ų140132.1 Ų132.185%0.84880%0.801SS**  trans-119.2152.6164.6173.70000108.2
372I37.1Very low35.9Very low152 Ų152136.1 Ų136.178%0.77981%0.808SS**  trans-72.8138.6-171.2-61151.5000111.2
373E37.4Very low35.9Very low188 Ų188138.2 Ų138.288%0.87981%0.812SS**  trans-114.7122167.5-173.3170.6-123.700110.3
374C40.5Very low35.9Very low114 Ų114141 Ų14177%0.7782%0.817SS**  trans-112.594.5174.2-70.80000109.9
375M35.9Very low35.6Very low181 Ų181142.5 Ų142.589%0.89282%0.815SS**  trans-37.4137.3168.651.5175.567.600114.6
376K36.4Very low35.3Very low208 Ų208142.5 Ų142.590%0.90481%0.81SS**  trans-136.7139.3152.2-171.5160.7-177171.80110.8
377V34.2Very low35.1Very low140 Ų140142.9 Ų142.985%0.84881%0.807SS**  trans-75152.3-168.4177.70000112.7
378R35.6Very low35.4Very low224 Ų224141.6 Ų141.685%0.84580%0.801SS**  trans-92.8136.8-179.2-176.7-172.1-169115-2.4112.4
379S32.3Very low34.8Very low105 Ų105143.5 Ų143.573%0.73480%0.803SS**  trans-149.7132.2155.7-149.70000104.9
380S30.8Very low34.3Very low86 Ų86142.5 Ų142.560%0.60180%0.797SS**  cis64.3118.540.9-46.10000111.3
381S31.6Very low33.9Very low108 Ų108141.4 Ų141.476%0.75580%0.796SS**  cis-136-176.1-12.5-64.50000106.8
382E31.9Very low33.6Very low198 Ų198145.8 Ų145.893%0.92580%0.797SS**  -174.3177.353.4-130.6161.994.900109.4
383S32.7Very low33.6Very low106 Ų106143 Ų14374%0.74180%0.796SS**  trans-121.7136.2-177.257.20000113.1
384L32.9Very low33.4Very low175 Ų175140.4 Ų140.492%0.91679%0.794SS**  trans-146177.5150.2-142.9105.8000111.4
385L31.9Very low33.1Very low148 Ų148140.3 Ų140.378%0.77579%0.794SS**  trans-103.8166.7-154.1-60.9168.5000114.7
386D31.2Very low33.3Very low135 Ų135138 Ų13872%0.72279%0.792SS**  trans58.1108.1152.9-78.9-57000123.9
387S28.4Very low32.9Very low100 Ų100132.8 Ų132.870%0.69978%0.782SS**  62.4177103.4-40.80000118.9
388P45.3Very low32.9Very low115 Ų115133.2 Ų133.275%0.74778%0.775SS**  -136.7163.3-118.530.9-5.3000118.1
389S26.3Very low32.6Very low110 Ų110130.2 Ų130.277%0.76978%0.775SS**  trans-168.7132.3150-79.10000108.3
390T29Very low32.4Very low120 Ų120129.9 Ų129.974%0.73677%0.772SS**  cis80147.340.374.20000115
391S31.1Very low32.3Very low117 Ų117133.4 Ų133.482%0.81878%0.782SS**  trans74.4149.9-172.1-48.30000115.1
392R32.5Very low32.1Very low232 Ų232136.4 Ų136.488%0.87578%0.783SS**  cis-147.4154.62.2-157.4170.3178.1147.3-2.1110.4
393A38.4Very low32.6Very low92 Ų92133 Ų13376%0.7678%0.777SS**  trans-105.5142.3170.500000111.6
394T32.3Very low32.5Very low135 Ų135134.6 Ų134.683%0.82878%0.777SS**  trans-160.2146167.210.80000111.7
395S34.1Very low32.6Very low112 Ų112131.7 Ų131.778%0.78376%0.762SS**  trans-73.1173171.3-45.70000111.9
396P39.7Very low32.7Very low131 Ų131133.2 Ų133.285%0.85176%0.762SS**  -151-171.98941-23.3000115
397S29.7Very low32.6Very low100 Ų100131.2 Ų131.270%0.69976%0.764SS**  trans-147156.8164.1-157.10000111
398Q33Very low32.7Very low149 Ų149131.6 Ų131.670%0.69677%0.767SS**  trans74.8111.2169.2-55.6-61-51.100120.1
399L29.7Very low31.8Very low160 Ų160131.3 Ų131.384%0.83877%0.768SS**  trans64.8126.6135.6-53175000122.3
400S28.2Very low32.8Very low98 Ų98131.1 Ų131.169%0.68576%0.764SS**  179.8156.6107.1-163.90000113.2
401M29.1Very low32.8Very low161 Ų161133.4 Ų133.479%0.79377%0.771SS**  trans43.2146.9148.966.6-155.5-76.100122.6
402E27.3Very low33.3Very low170 Ų170137 Ų13779%0.79477%0.771SS**  cis-171.6-170.7-10.4176.7162.6105.300109.2
403T40.7Very low34.4Very low127 Ų127131.5 Ų131.578%0.77977%0.766SS**  trans90.655.9166.465.50000120.5
404D31.2Very low34.7Very low140 Ų140132.9 Ų132.975%0.74977%0.767SS**  24.9159.7112.6-158.720.3000123.1
405L35.7Very low34.6Very low114 Ų114129.3 Ų129.360%0.59776%0.758SS**  trans77.1138.1168.4-46.7179.1000116.2
406K32.9Very low34.9Very low179 Ų179131.4 Ų131.478%0.77876%0.759SS**  cis-164.3154.8-4.4-107.6162.8179.5123.30105.8
407A29.4Very low34.4Very low93 Ų93132.2 Ų132.277%0.76976%0.755SS**  cis-150.7-145.4-3.600000106.8
408S30.1Very low34.7Very low108 Ų108132.6 Ų132.676%0.75576%0.757SS**  cis-163.5164.12.749.80000111.8
409S27.9Very low35.3Very low110 Ų110131.3 Ų131.377%0.76976%0.762SS**  trans1.6154.8156.3-70.10000123.9
410P46.4Very low35.2Very low106 Ų106128.4 Ų128.469%0.68876%0.755SS**  cis-145-173.6-2838.5-18.3000115.9
411L30.3Very low35.5Very low167 Ų167129.5 Ų129.587%0.87476%0.762SS**  trans84.1157.6157.4-72.9156.8000122
412K39.9Very low35.7Very low192 Ų192125 Ų12584%0.83576%0.758SS**  trans-132.9-176.5176.8-70.4176.6173.7175.10107.3
413P57.4Low36.1Very low117 Ų117127.9 Ų127.976%0.7676%0.763SS**  cis-109.8-141.3-40.137.8-19.8000107.5
414P44.2Very low35.9Very low121 Ų121126.6 Ų126.679%0.78676%0.759SS**  cis-107.2-152-24.144.4-29.9000110.2
415G29.2Very low36.4Very low61 Ų61124 Ų12463%0.62975%0.752SS**  cis113.7155.5-7.100000115.5
416L40.2Very low36.9Very low156 Ų156127 Ų12782%0.81776%0.763SS**  trans75118.5-175.5-51-177.4000114.2
417I30.2Very low37.3Very low148 Ų148123.3 Ų123.376%0.75976%0.76SS**  66.4127.37575.9155000117.6
418S35.1Very low37.5Very low108 Ų108127.8 Ų127.876%0.75577%0.765SS**  trans5.3142.1144.9-43.20000119.5
419P45.5Very low38.2Very low122 Ų122128.4 Ų128.479%0.79276%0.764SS**  -144.6179.28342.2-27.2000111.9
420S28.5Very low39.2Very low98 Ų98129.1 Ų129.169%0.68577%0.766SS**  cis175.6-170.9-14.656.70000105.9
421S35.2Very low39Very low121 Ų121129.6 Ų129.685%0.84677%0.767SS**  trans27.9135.4148.5-53.80000122.1
422G33.2Very low39.9Very low68 Ų68127.6 Ų127.670%0.70176%0.764SS**  cis138.4171.4-3.700000114.3
423Y35.2Very low39.6Very low229 Ų229123.6 Ų123.690%0.89876%0.756SS**  trans66.9128.9159.6-101.5-92.2000121.7
424S37Very low38.7Very low100 Ų100124.2 Ų124.270%0.69976%0.758SS**  trans69.7163.9141.7-102.30000119.4
425S40.9Very low38.8Very low87 Ų87123 Ų12361%0.60875%0.749SS**  cis-155.7167.83.8-131.20000114.6
426Q45.7Very low39Very low177 Ų177127.2 Ų127.283%0.82776%0.755SS**  trans81.3144146.6-77.5158.5-9.300119.1
427S42.1Very low38.6Very low100 Ų100124.5 Ų124.570%0.69974%0.741SS**  cis-164.3156-1941.30000107.1
428E34.2Very low38.7Very low187 Ų187125.7 Ų125.787%0.87474%0.743SS**  -157.9178.373.3-98.4-172.399.300115.1
429T43.1Very low38.5Very low122 Ų122124 Ų12475%0.74874%0.742SS**  trans-106177.2-157.1110000113.1
430P49.4Very low38Very low124 Ų124125 Ų12581%0.80575%0.747SS**  cis-14117533.237.8-14.5000120.8
431T41.8Very low38.2Very low117 Ų117127 Ų12772%0.71875%0.754SS**  trans-57.6154-177.1-0.10000116.6
432P49.8Very low37.9Very low124 Ų124124.7 Ų124.781%0.80575%0.749SS**  -148.6-168.777.532.8-10.3000116.4
433T33.9Very low37.9Very low108 Ų108127.2 Ų127.266%0.66375%0.752SS**  cis-173.2108.4-47.9-74.60000111.8
434V37.8Very low37.8Very low131 Ų131123.3 Ų123.379%0.79475%0.751SS**  53145.6128160.90000121.8
435P46.4Very low37.6Very low94 Ų94122 Ų12261%0.6176%0.755SS**  cis-154-169.9-22.945.8-25.2000119
436M34.3Very low37.2Very low151 Ų151123.4 Ų123.474%0.74476%0.763SS**  trans71.2150.5144.4-69.8-14.4-176.800122.2
437N30.9Very low36.5Very low98 Ų98124 Ų12452%0.52476%0.762SS.*  cis-164.1158.9-10.2-120.4-20000115.9
438H33.5Very low36.6Very low173 Ų173126.5 Ų126.580%0.80177%0.765SS**  trans56.3142.9158.6-44.9-39.7000119.3
439G30.2Very low37.4Very low72 Ų72128.2 Ų128.274%0.74276%0.764SS**  cis-161.4-155.6-0.900000108.3
440T34.4Very low37.3Very low145 Ų145126.7 Ų126.789%0.8976%0.755SS**  cis-157.1-153.3-3.5-39.90000107.6
441V32.4Very low36.5Very low139 Ų139129.9 Ų129.984%0.84276%0.757SS**  trans-138.4146.1-174.1174.50000114.4
442G30.2Very low36.5Very low72 Ų72130.4 Ų130.474%0.74275%0.754SS**  trans-166.4147.5164.100000112.1
443T33.2Very low36.5Very low122 Ų122130.7 Ų130.775%0.74876%0.755SS**  trans-131.1169.6-171.955.10000114.1
444T32.3Very low37Very low146 Ų146132 Ų13290%0.89675%0.754SS**  trans74149176.280.10000116.1
445G33.8Very low37.3Very low74 Ų74135.4 Ų135.476%0.76375%0.753SS**  trans141.7102.3175.400000113.6
446C31.2Very low37.2Very low115 Ų115140.2 Ų140.278%0.77776%0.764SS**  trans-79.2-162.4156-36.50000108.8
447K32.4Very low37.2Very low190 Ų190138.1 Ų138.183%0.82676%0.764SS**  trans87.1137.3156.6-41.9166.1-167.2174.10116.3
448M44.3Very low37.4Very low153 Ų153137.8 Ų137.875%0.75477%0.769SS**  trans6799156.6-46.1-34.2-66.800120.4P450M448-P450 VanDerWaalsContact O-CD 3.31Å; M448-P450 WeakPolarHBondContact O-CD 3Å
449R50.1Low37.6Very low223 Ų223137.3 Ų137.384%0.84277%0.772SS**  trans-61.8124.2131.3169.2-175.1-179.3167.81.3110.3
450P41.7Very low38.1Very low89 Ų89139.5 Ų139.558%0.57877%0.773SS**  trans-137.1171.313417.25.5000111M448M448-P450 VanDerWaalsContact O-CD 3.31Å; M448-P450 WeakPolarHBondContact O-CD 3Å
451K31.7Very low37.9Very low192 Ų192137.7 Ų137.784%0.83577%0.767SS**  cis-150.3157.1-4.7-116.4153.4-166.9172.90107.5
452I43Very low38.4Very low128 Ų128137 Ų13766%0.65677%0.765SS**  trans-88.2131.1165.5-64.9166.8000107.6E454I452-E454 PolarHBondContact O-N 3.37Å
453P48.3Very low38.5Very low129 Ų129141.6 Ų141.684%0.83877%0.765SS**  trans-66.7109158.7-18.433.1000108.9
454E44.7Very low38.3Very low136 Ų136142 Ų14264%0.63676%0.762SS**  trans-85176.8-171.5-64-170.9125.100114.5I452I452-E454 PolarHBondContact O-N 3.37Å
455R44.4Very low38.9Very low203 Ų203140.5 Ų140.577%0.76676%0.755SS**  trans78.3137.6156.6-26.7-172.385.278-6.1113.4
456K44.9Very low38.7Very low194 Ų194142.1 Ų142.184%0.84375%0.754SS**SBendcis-138.4158.619.7-40-178.8-177178.70108.2
457S34.6Very low38.6Very low108 Ų108140.6 Ų140.676%0.75575%0.75SS**  cis-171.5160.30.819.20000109.2
458S34.2Very low38.7Very low90 Ų90143.4 Ų143.463%0.62976%0.756SS**  cis178152.1-24.654.10000110.7
459L37.8Very low37.9Very low163 Ų163140.5 Ų140.585%0.85375%0.75SS**  trans74.3159.1165.1-53.4170.9000117.2
460P40.3Very low37.3Very low118 Ų118140.9 Ų140.977%0.76675%0.752SS**  -135.2176.4-53.639.2-24.3000114.1
461S30.5Very low37Very low108 Ų108143.2 Ų143.276%0.75576%0.758SS**  trans-83.9161.6172.259.30000112.9
462P43.6Very low37Very low125 Ų125138.5 Ų138.581%0.81275%0.75SS**  -151-168.891.837.6-18.2000114.5
463K30.7Very low36.8Very low168 Ų168142.1 Ų142.173%0.7376%0.761SS**  -177.1124.3-53.7178.2178173.4-174.90110.3
464D29Very low36.1Very low131 Ų131145.5 Ų145.570%0.70177%0.766SS**  trans59.6-175.5161.8-70-41.3000117
465P46.4Very low36Very low114 Ų114146.7 Ų146.774%0.7477%0.773SS**  -134.4-171.7-60.639.2-25000114.7
466S28.8Very low36.3Very low107 Ų107142.8 Ų142.875%0.74877%0.774SS**  trans84.9106.5141.8-1690000121
467A28.9Very low35.6Very low84 Ų84137.2 Ų137.269%0.69477%0.772SS**  46154.4122.800000123.5
468R33.7Very low35.6Very low249 Ų249140.1 Ų140.194%0.9478%0.779SS**  trans72.1163.6166-65.6175.5176.3169.5-1.4115.4
469S29.3Very low35.5Very low91 Ų91140.1 Ų140.164%0.63678%0.784SS**  cis179.1142.7-32.2-178.40000107.9
470R37.4Very low35.3Very low232 Ų232140.3 Ų140.388%0.87578%0.78SS**  trans62.6172.5165.6-77.7178.3169159.5-3.8114.8
471L33.8Very low35.2Very low137 Ų137140.8 Ų140.872%0.71778%0.776SS**  cis-172.4151.8-33.5175.564.7000106.7
472S31.9Very low35.3Very low93 Ų93143.9 Ų143.965%0.6578%0.778SS**  trans61.9128.4173.132.90000115.7
473F38.8Very low35Very low205 Ų205146.4 Ų146.490%0.89978%0.784SS**  68.598.254.5-78.9-74.4000114.4
474E33.7Very low35.3Very low199 Ų199143.5 Ų143.593%0.9379%0.785SS**  trans-146.4163.2146.9-161.8163.7-178.300108.6
475M44.2Very low35.4Very low161 Ų161140.8 Ų140.879%0.79378%0.776SS**  trans-165.1172.1-158-170.5155.9174.100108.2
476P49.7Very low35Very low121 Ų121141.3 Ų141.379%0.78677%0.772SS**  cis-120.3179.2-1315.310.1000114.1
477G31.2Very low35.5Very low77 Ų77143.2 Ų143.279%0.79477%0.767SS**  trans-173.5140.9166.200000111.2
478N33.6Very low35.9Very low170 Ų170144.9 Ų144.991%0.90977%0.771SS**  trans-102.6147.7-157.9-135.44.2000115.9
479A33.1Very low35.9Very low89 Ų89142.6 Ų142.674%0.73677%0.768SS**  trans86.8134.2150.100000123.8
480H32.1Very low36.1Very low167 Ų167147.2 Ų147.277%0.77378%0.779SS**  trans98.199.8138.9-142-85000122.7
481L38.2Very low35.8Very low128 Ų128146.1 Ų146.167%0.6778%0.781SS**  trans17.2139.7132-56.9176.2000120
482E33Very low35.8Very low174 Ų174144 Ų14481%0.81378%0.783SS**  cis-147.7178.42.5-79.4-134.7131.800111.4
483L37.8Very low35.8Very low178 Ų178145.1 Ų145.193%0.93279%0.791SS**  trans-131.6161.8-178.2-82.8178.8000116.1
484S36.8Very low35.4Very low107 Ų107145 Ų14575%0.74878%0.784SS**  trans-129.4154.3-175.661.10000115.2
485S32.1Very low35.4Very low74 Ų74142.9 Ų142.952%0.51777%0.768SS.*  trans46.3116.2148.4-64.10000124.7A503S485-A503 WeakPolarHBondContact OG-CB 3.37Å
486L36.3Very low35Very low125 Ų125142.3 Ų142.365%0.65476%0.763SS**  trans75.9160.3141.2-57.1170.9000119.1A502L486-A502 HydrophobicContact CD2-CB 4.25Å
487K40.3Very low34.3Very low146 Ų146141 Ų14164%0.63576%0.756SS**  cis-165.5124.6-37-114.3-65.4-161.4-162.80111.2T501K487-T501 WeakPolarHBondContact CD-O 2.91Å; K487-T501 WeakPolarHBondContact CE-O 3.39Å; K487-T501 PolarHBondContact NZ-O 2.97Å
488P36Very low34.3Very low119 Ų119144.4 Ų144.477%0.77376%0.756SS**  trans-127.1178.1-17941-30000117.8
489K35.1Very low34.5Very low202 Ų202142 Ų14288%0.87875%0.748SS**  trans-149.6133.8167.1-98.9-168.4179.1179.20112.1
490Q33Very low34.9Very low187 Ų187143.1 Ų143.187%0.87475%0.751SS**  164.5153.6117.8-97.4-163.6-112.600116.6
491K30.5Very low35.2Very low210 Ų210139.5 Ų139.591%0.91374%0.74SS**  trans77.8169.1163.1-143.8161.8-177.2177.10116.6
492A33.8Very low34.9Very low93 Ų93135.2 Ų135.277%0.76972%0.724SS**  trans-125.6141.3-149.600000114.5
493S32Very low34.8Very low116 Ų116130 Ų13081%0.81171%0.71SS**  trans-163.6149.4152.5-160.90000113.1
494R31.5Very low35Very low202 Ų202131.1 Ų131.176%0.76271%0.707SS**SBendtrans17.1106.5146.1-167.4178.7-168.3-97.99120.6
495R34Very low35.2Very low155 Ų155132.2 Ų132.259%0.58571%0.712SS**  trans69.6154.6152.7-59.7174.7167-93.74.5118.3
496H34.1Very low35Very low149 Ų149131.8 Ų131.869%0.6972%0.72SS**  trans67125.8171.2-56.4-62.8000112.9
497S35Very low34.9Very low92 Ų92135.5 Ų135.564%0.64373%0.731SS**  73.813588.7-50.30000112.4
498D32.5Very low34.5Very low149 Ų149136 Ų13680%0.79774%0.739SS**  trans70.3157.3162.6-51.4-51.8000118.7
499T36.9Very low34.3Very low120 Ų120135.9 Ų135.974%0.73674%0.74SS**  cis165.8124-39.2-89.30000105.9
500S41.2Very low34.4Very low113 Ų113132.7 Ų132.779%0.7974%0.74SS**  trans62.6175.1177.5-116.30000115.2
501T38.6Very low34.4Very low90 Ų90129.1 Ų129.155%0.55274%0.736SS**  cis-116.6-177.98.461.90000110.8K487K487-T501 WeakPolarHBondContact CD-O 2.91Å; K487-T501 WeakPolarHBondContact CE-O 3.39Å; K487-T501 PolarHBondContact NZ-O 2.97Å
502A32.9Very low34.8Very low39 Ų39124.5 Ų124.532%0.32273%0.73SS.*  cis-143.9171.5-0.500000107.8L486L486-A502 HydrophobicContact CD2-CB 4.25Å
503A31.4Very low35.1Very low65 Ų65125.5 Ų125.554%0.53773%0.731SS.*  cis-139.6167.98.900000112.8S485S485-A503 WeakPolarHBondContact OG-CB 3.37Å
504K41.6Very low35.7Very low200 Ų200128.8 Ų128.887%0.8773%0.734SS**  trans-96.1178.3175.9-83.6178.4179.2176.20110.2
505P39.8Very low36.2Very low131 Ų131124 Ų12485%0.85174%0.738SS**  cis-120.6173.23.640.4-26.6000114.1
506G29.4Very low36.6Very low65 Ų65123.8 Ų123.867%0.6775%0.747SS**  cis-177-171.4-1.100000111.9
507K33.3Very low37.5Very low203 Ų203122.4 Ų122.488%0.88375%0.751SS**  trans66.579.5176.9-60-74.4-173.8171.70117.8
508I32.3Very low38.8Very low157 Ų157126 Ų12681%0.80576%0.76SS**  trans16117.8141.247.4161.1000121.3
509S32.2Very low40.6Very low115 Ų115123.7 Ų123.780%0.80475%0.751SS**  176.4129.4122-78.50000111.9
510P36Very low42.5Very low136 Ų136121.4 Ų121.488%0.88374%0.737SS**  trans-96.3127.8178.134.5-30.6000113.3
511S33.3Very low44.1Very low112 Ų112122.6 Ų122.678%0.78373%0.73SS**  trans-114.9111178.257.30000112.8
512S38.3Very low45.7Very low113 Ų113123.4 Ų123.479%0.7973%0.731SS**  trans-171.388.2165.7-175.80000108.1
513S40.6Very low47.8Very low113 Ų113126.1 Ų126.179%0.7974%0.737SS**  68.935.354.8-47.60000115.2
514Q44.2Very low50Low185 Ų185127.8 Ų127.886%0.86474%0.737SS**  trans-74.4117.5144.7-78.1-170.3-24.700108.8L516Q514-L516 PolarHBondContact O-N 3.31Å
515A42.4Very low51.3Low102 Ų102124.8 Ų124.884%0.84372%0.723SS**  trans-74.9112.7-17700000111.6
516L42.1Very low52.9Low150 Ų150123.9 Ų123.979%0.78572%0.716SS**  trans-67.8147.6160.4-62.7175.7000109.3Q514 M518Q514-L516 PolarHBondContact O-N 3.31Å; L516-M518 PolarHBondContact O-N 3.29Å
517P53.9Low55Low120 Ų120125.6 Ų125.678%0.77971%0.708SS**  trans-68.396.2170.828.9-33.2000109.5V519P517-V519 PolarHBondContact O-N 3.22Å; P517-V519 VanDerWaalsContact O-N 3.11Å
518M62.3Low56.9Low169 Ų169127.1 Ų127.183%0.83371%0.709SS**  trans-62.9110172.1-74.4174.860.200109.3L516 T520L516-M518 PolarHBondContact O-N 3.29Å; M518-T520 PolarHBondContact O-N 3.15Å; M518-T520 VanDerWaalsContact O-N 3.12Å
519V70Confident59Low99 Ų99126.8 Ų126.860%0.671%0.707SS**  trans-62.9114.5172.7179.90000108.2P517 E523 L524P517-V519 PolarHBondContact O-N 3.22Å; P517-V519 VanDerWaalsContact O-N 3.11Å; V519-E523 HydrophobicContact CG1-CB 4.2Å; V519-L524 HydrophobicContact CG1-CD2 3.85Å; V519-L524 HydrophobicContact CG1-CG 4.03Å
520T76.6Confident60.4Low72 Ų72132.2 Ų132.244%0.44271%0.711SS.*  trans-75.4152.6-17762.50000111.1M518 N522 E523 L524M518-T520 PolarHBondContact O-N 3.15Å; M518-T520 VanDerWaalsContact O-N 3.12Å; T520-N522 PolarHBondContact O-N 2.91Å; T520-E523 WeakPolarHBondContact CB-OE2 3.22Å; T520-E523 PolarHBondContact N-OE2 3.2Å; T520-E523 PolarHBondContact O-N 3.22Å; T520-E523 WeakPolarHBondContact OG1-CG 3.46Å; T520-E523 PolarHBondContact OG1-N 3.5Å; T520-E523 PolarHBondContact OG1-OE2 3.31Å; T520-L524 PolarHBondContact O-N 2.95Å
521Q74.1Confident61.3Low139 Ų139131.6 Ų131.665%0.6571%0.709SS**Hα-helixtrans-59.9-22.1175.8-153.8-15747.700112.4K525Q521-K525 WeakPolarHBondContact O-CD 3.37Å; Q521-K525 WeakPolarHBondContact O-CE 3.49Å; Q521-K525 VanDerWaalsContact O-CG 3.28Å; Q521-K525 WeakPolarHBondContact O-CG 3.26Å; Q521-K525 PolarHBondContact O-N 2.93Å; Q521-K525 VanDerWaalsContact OE1-CE 3.27Å
522N73.8Confident61.7Low106 Ų106132.7 Ų132.757%0.56771%0.711SS**Hα-helixtrans-80-33.9174.9-77.63.3000113.1T520 L524 K525 T526T520-N522 PolarHBondContact O-N 2.91Å; N522-L524 VanDerWaalsContact C-N 3.34Å; N522-K525 PolarHBondContact O-N 2.91Å; N522-K525 PolarHBondContact OD1-NZ 2.69Å; N522-T526 PolarHBondContact O-N 3.33Å
523E77Confident62.1Low97 Ų97132.9 Ų132.945%0.45371%0.712SS.*Hα-helixtrans-61.6-44.4171.7-76.5162.7119.100110.8V519 T520 K525 T526V519-E523 HydrophobicContact CG1-CB 4.2Å; T520-E523 WeakPolarHBondContact CB-OE2 3.22Å; T520-E523 PolarHBondContact N-OE2 3.2Å; T520-E523 PolarHBondContact O-N 3.22Å; T520-E523 WeakPolarHBondContact OG1-CG 3.46Å; T520-E523 PolarHBondContact OG1-N 3.5Å; T520-E523 PolarHBondContact OG1-OE2 3.31Å; E523-K525 VanDerWaalsContact C-N 3.29Å; E523-K525 PolarHBondContact O-N 3.07Å; E523-T526 PolarHBondContact O-N 3.02Å; E523-T526 PolarHBondContact O-OG1 3.07Å
524L76Confident62.2Low100 Ų100138.8 Ų138.852%0.52472%0.717SS.*Hα-helixtrans-55.1-42.8174.1-64178.1000112.3V519 T520 N522 T526 I527V519-L524 HydrophobicContact CG1-CD2 3.85Å; V519-L524 HydrophobicContact CG1-CG 4.03Å; T520-L524 PolarHBondContact O-N 2.95Å; N522-L524 VanDerWaalsContact C-N 3.34Å; L524-T526 PolarHBondContact O-N 3.29Å; L524-I527 HydrophobicContact CD2-CD1 4.1Å; L524-I527 PolarHBondContact O-N 3.06Å; L524-I527 VanDerWaalsContact O-N 3.07Å
525K70.3Confident62.1Low136 Ų136132.9 Ų132.959%0.59171%0.706SS**Hα-helixtrans-64.1-18.3176.6-67.6165.2-160.1165.40113.7Q521 N522 E523Q521-K525 WeakPolarHBondContact O-CD 3.37Å; Q521-K525 WeakPolarHBondContact O-CE 3.49Å; Q521-K525 VanDerWaalsContact O-CG 3.28Å; Q521-K525 WeakPolarHBondContact O-CG 3.26Å; Q521-K525 PolarHBondContact O-N 2.93Å; Q521-K525 VanDerWaalsContact OE1-CE 3.27Å; N522-K525 PolarHBondContact O-N 2.91Å; N522-K525 PolarHBondContact OD1-NZ 2.69Å; E523-K525 VanDerWaalsContact C-N 3.29Å; E523-K525 PolarHBondContact O-N 3.07Å
526T72.1Confident61.9Low112 Ų112135.6 Ų135.669%0.68771%0.706SS**Hα-helixtrans-87.6-10.6174.167.40000114.2N522 E523 L524 R528N522-T526 PolarHBondContact O-N 3.33Å; E523-T526 PolarHBondContact O-N 3.02Å; E523-T526 PolarHBondContact O-OG1 3.07Å; L524-T526 PolarHBondContact O-N 3.29Å; T526-R528 PolarHBondContact O-N 2.82Å
527I74.1Confident62.3Low101 Ų101135.6 Ų135.652%0.51871%0.706SS.*  trans-79.181.5-178.1-52.3179.1000110.2L524 L529L524-I527 HydrophobicContact CD2-CD1 4.1Å; L524-I527 PolarHBondContact O-N 3.06Å; L524-I527 VanDerWaalsContact O-N 3.07Å; I527-L529 VanDerWaalsContact C-N 3.31Å; I527-L529 HydrophobicContact CG2-CD2 3.77Å; I527-L529 HydrophobicContact CG2-CG 4.14Å; I527-L529 PolarHBondContact O-N 3.42Å
528R74.4Confident61.9Low236 Ų236137.9 Ų137.989%0.89171%0.706SS**  trans-72.985171-169.7177.8179.996.4-0.1110.8T526T526-R528 PolarHBondContact O-N 2.82Å
529L74.6Confident60.8Low149 Ų149137.6 Ų137.678%0.7871%0.708SS**PPolyproline II helixtrans-57.1146.1168.8-62.2-179.8000110.5I527I527-L529 VanDerWaalsContact C-N 3.31Å; I527-L529 HydrophobicContact CG2-CD2 3.77Å; I527-L529 HydrophobicContact CG2-CG 4.14Å; I527-L529 PolarHBondContact O-N 3.42Å
530R61.9Low59.4Low230 Ų230138 Ų13887%0.86871%0.714SS**PPolyproline II helixtrans-101.1119.2171.9-65.5-174.7-64.8127.83.6107.8V532R530-V532 PolarHBondContact O-N 3.38Å
531S54.4Low58.1Low123 Ų123140.9 Ų140.986%0.8673%0.734SS**PPolyproline II helixtrans-58.1127173.443.30000110.3
532V42.9Very low56.2Low135 Ų135142 Ų14282%0.81875%0.745SS**PPolyproline II helixtrans-99.6122.3163.1-73.20000106.9R530 R534R530-V532 PolarHBondContact O-N 3.38Å; V532-R534 PolarHBondContact O-N 2.94Å
533S46Very low54.4Low116 Ų116140.7 Ų140.781%0.81176%0.756SS**PPolyproline II helixtrans-71.1118.3172-170.60000108.2G535S533-G535 PolarHBondContact O-N 3.19Å
534R43.1Very low52.3Low238 Ų238140 Ų14090%0.89877%0.767SS**  trans-77.8102.4153.1-82.6-169.3172.3-150.20.7106V532V532-R534 PolarHBondContact O-N 2.94Å
535G42.3Very low50.4Low60 Ų60140.5 Ų140.562%0.61978%0.779SS**  trans-96.9140.9159.800000108.6S533S533-G535 PolarHBondContact O-N 3.19Å
536D37.9Very low48.8Very low159 Ų159141.8 Ų141.885%0.8579%0.792SS**  trans64.1104.9171.1-108.2-31000118.5
537L49.8Very low47.1Very low150 Ų150141.8 Ų141.879%0.78579%0.792SS**  trans-156.666.9149.1-178.563000107.5
538E47.3Very low45.2Very low169 Ų169144.5 Ų144.579%0.7981%0.806SS**  trans-141.482.3168.7-66-60.7170.700108.4
539D38.9Very low43.4Very low162 Ų162141.6 Ų141.687%0.86680%0.803SS**  trans-138.774.4171.6-168.431.1000107.7
540C39.3Very low41.6Very low109 Ų109142.8 Ų142.874%0.73680%0.804SS**  trans-103.3147.7171.9-81.40000109.5
541P50.4Low40.4Very low131 Ų131138.4 Ų138.485%0.85179%0.793SS**  trans-82.4130.2-155.331.2-35.6000113.1
542D33.7Very low39.6Very low163 Ų163138.3 Ų138.387%0.87278%0.779SS**  trans-142.4152.9147.8-150.4-19.9000110.4
543G36.8Very low39.1Very low78 Ų78140.4 Ų140.480%0.80478%0.78SS**  trans178.246.9-165.700000115
544A32.1Very low38.4Very low82 Ų82137.5 Ų137.568%0.67877%0.768SS**  trans-140.5139.8170.300000113.5
545S35.5Very low38Very low111 Ų111138 Ų13878%0.77677%0.77SS**  trans55.690.9151.5-54.30000120
546D37.1Very low37.6Very low164 Ų164142.2 Ų142.288%0.87778%0.779SS**  trans-67.6121.3139.9167.722.3000109.7
547T36.3Very low37.5Very low111 Ų111142.1 Ų142.168%0.68178%0.776SS**  trans-172.9153.7157.7-0.40000115
548I34.6Very low36.7Very low159 Ų159139.4 Ų139.482%0.81577%0.77SS**  trans87136.3161.4-66.3162.1000117.6
549E36.1Very low36.1Very low175 Ų175138.6 Ų138.682%0.81877%0.771SS**  trans-87.6159.3-176.1-57.1152.5106.300111.2
550E37.6Very low36Very low174 Ų174137.4 Ų137.481%0.81377%0.765SS**  -169.9166.2114-109.7-172.695.900113.3
551E37.1Very low36.3Very low137 Ų137138 Ų13864%0.6477%0.767SS**  trans3.2157149.3-62.9-137.8-4.100122.6
552Q37.9Very low35.5Very low121 Ų121136.4 Ų136.457%0.56576%0.759SS**  cis-173.1149.1-18.4-108.7-169.63700106.8
553H31.8Very low35.9Very low179 Ų179134 Ų13483%0.82975%0.753SS**  trans59.5150.6168.3-59.5105.1000117.1
554G31.1Very low36.1Very low55 Ų55135.6 Ų135.657%0.56775%0.748SS**  cis143.796.9-6.300000113.1
555R35Very low36.7Very low249 Ų249137.9 Ų137.994%0.9476%0.757SS**  trans171.4146.8147-100.6170.3-64.9-149.35.4112.4
556D33.3Very low36.8Very low149 Ų149139.2 Ų139.280%0.79776%0.76SS**  trans-65.7156.9167.4-57.3-101.4000113.2
557I35.9Very low37Very low157 Ų157138.8 Ų138.881%0.80576%0.757SS**  -177.4120.9112.4-92.2159.1000112.5
558S32.1Very low37.7Very low92 Ų92139.1 Ų139.164%0.64376%0.761SS**  trans59155.5146.186.20000125.8
559D34.8Very low38.1Very low152 Ų152140.9 Ų140.981%0.81376%0.763SS**  trans76.994.2150.5-51.2-38.7000122.4
560N38.6Very low38.8Very low138 Ų138138.5 Ų138.574%0.73876%0.762SS**  trans-94146.4164171.548.8000109.9S562N560-S562 PolarHBondContact OD1-N 2.96Å; N560-S562 VanDerWaalsContact OD1-N 3.07Å
561P44.3Very low39.6Very low122 Ų122139.7 Ų139.779%0.79277%0.765SS**  -144.9134.8106.334.6-18.9000115
562S33.1Very low40.4Very low97 Ų97138.5 Ų138.568%0.67877%0.769SS**PPolyproline II helixtrans-86.1147.9171.589.20000112.9N560N560-S562 PolarHBondContact OD1-N 2.96Å; N560-S562 VanDerWaalsContact OD1-N 3.07Å
563P42.1Very low41.3Very low113 Ų113138.8 Ų138.873%0.73478%0.781SS**PPolyproline II helixtrans-73.1168.7163.830.6-33000112.3
564P42.7Very low42.2Very low110 Ų110136.8 Ų136.871%0.71478%0.781SS**PPolyproline II helixtrans-96.1163.7-149.435.7-38000117
565P44.2Very low43.2Very low131 Ų131138.6 Ų138.685%0.85179%0.791SS**PPolyproline II helixtrans-65.8142.6173.728.2-36000112.7
566T37.2Very low44.4Very low139 Ų139133.2 Ų133.285%0.85379%0.786SS**PPolyproline II helixtrans-88.8128.3-177.248.40000113.3
567L41.5Very low45.3Very low155 Ų155134.8 Ų134.881%0.81279%0.785SS**PPolyproline II helixtrans-62.8138179.5-149.879.4000111.6K569L567-K569 PolarHBondContact O-N 2.78Å
568P50.5Low46.2Very low118 Ų118132.3 Ų132.377%0.76678%0.78SS**PPolyproline II helixtrans-62.5120.9176.923.4-34.3000112.1
569K43.3Very low47.3Very low195 Ų195134 Ų13485%0.84879%0.788SS**PPolyproline II helixtrans-63.1138.2-177.3-66.9174.5-179.2172.40111.7L567L567-K569 PolarHBondContact O-N 2.78Å
570P50.4Low48.3Very low125 Ų125133.8 Ų133.881%0.81279%0.787SS**PPolyproline II helixtrans-63.9141.4-179.726-34.3000111.7
571K55Low48.8Very low199 Ų199133.2 Ų133.287%0.86579%0.79SS**PPolyproline II helixtrans-69.1133.5177.7-67.3167.8-177.1166.30109.6
572P53.3Low49.1Very low112 Ų112137 Ų13773%0.72779%0.794SS**PPolyproline II helixtrans-63.8146.417627.4-34.5000110.7V574P572-V574 PolarHBondContact O-N 3.14Å
573P58.1Low50Low127 Ų127143.4 Ų143.483%0.82580%0.803SS**PPolyproline II helixtrans-63.5131-174.524.5-33.8000111.8A575P573-A575 PolarHBondContact O-N 3.33Å
574V50.8Low50.1Low137 Ų137143.7 Ų143.783%0.8381%0.806SS**PPolyproline II helixtrans-69119.4176.3177.40000109.1P572 V576P572-V574 PolarHBondContact O-N 3.14Å; V574-V576 PolarHBondContact O-N 3.38Å; V574-V576 VanDerWaalsContact O-N 3.11Å
575A50.1Low50.1Low94 Ų94146.6 Ų146.678%0.77781%0.812SS**  trans-60.9114.9179.200000111.2P573 K577P573-A575 PolarHBondContact O-N 3.33Å; A575-K577 PolarHBondContact O-N 3.25Å
576V61.3Low49.6Very low136 Ų136147 Ų14782%0.82481%0.806SS**PPolyproline II helixtrans-64.1130179.4-176.20000109.6V574V574-V576 PolarHBondContact O-N 3.38Å; V574-V576 VanDerWaalsContact O-N 3.11Å
577K52.6Low49.9Very low181 Ų181147.3 Ų147.379%0.78780%0.802SS**PPolyproline II helixtrans-63.7122.8-176.9-174.7177.1-178.2178.20110.3A575A575-K577 PolarHBondContact O-N 3.25Å
578P55.2Low49.8Very low105 Ų105146.2 Ų146.268%0.68280%0.796SS**PPolyproline II helixtrans-63.8138.3-178.325-33.8000111
579P53.3Low49Very low127 Ų127147.4 Ų147.483%0.82580%0.796SS**PPolyproline II helixtrans-67.7137-177.827-34000111.3
580L56.3Low48.5Very low149 Ų149146.8 Ų146.878%0.7879%0.793SS**PPolyproline II helixtrans-70.2138.7176.1-66.3170.9000110.4K582L580-K582 PolarHBondContact O-N 2.56Å
581P49.7Very low47.6Very low125 Ų125145.5 Ų145.581%0.81279%0.787SS**  trans-65.1111.4176.326.2-33.3000110.4
582K50.9Low47.1Very low203 Ų203142 Ų14288%0.88379%0.785SS**PPolyproline II helixtrans-66.8139172.2-64.8179.4-179.5177.60109.1L580L580-K582 PolarHBondContact O-N 2.56Å
583R51.1Low45.9Very low230 Ų230141.7 Ų141.787%0.86879%0.785SS**PPolyproline II helixtrans-67.5139.9171.1-68.1-178.1174.493.6-3.3109.3
584P45.3Very low45.2Very low120 Ų120142 Ų14278%0.77979%0.787SS**PPolyproline II helixtrans-68.3135171.728.9-33.4000110.1
585M42Very low44.3Very low170 Ų170140.5 Ų140.584%0.83778%0.783SS**  trans-115121.4167.3-67.7177.466.700107.8
586N34.6Very low43.4Very low139 Ų139141.9 Ų141.974%0.74379%0.787SS**  trans-113.8119.1164-60.8-64.7000104.8
587L42.8Very low41.9Very low147 Ų147142.1 Ų142.177%0.7779%0.788SS**  61.3132.570.3-58.1176.5000110.4
588L38.4Very low40.6Very low131 Ų131138 Ų13869%0.68678%0.783SS**  cis-155.3150.227.3-166.165.6000109.3
589L34.4Very low40.6Very low144 Ų144138 Ų13875%0.75478%0.783SS**  172127.497.6-80.5157.3000107
590K33.2Very low39.5Very low182 Ų182139.7 Ų139.779%0.79178%0.784SS**  76130.172.4-158.9138.6-178.2177.90111.3
591S31.5Very low38Very low98 Ų98136.1 Ų136.169%0.68578%0.776SS**  cis-161.1-169.716.4-13.30000109.2
592P43.2Very low37.1Very low125 Ų125137.7 Ų137.781%0.81278%0.776SS**  cis-127.7-166-22.640-22.3000112.6
593S29.9Very low36.1Very low105 Ų105137.1 Ų137.173%0.73478%0.776SS**  trans-97.3161.8168.8-47.40000112
594P43.6Very low35Very low134 Ų134131 Ų13187%0.8777%0.769SS**  -140.1-166.589.938.8-23.3000114.4
595S30.6Very low35.5Very low106 Ų106130.8 Ų130.874%0.74177%0.768SS**  trans-122.3169.6-159.7-55.70000115.9
596S32.6Very low35.8Very low123 Ų123128.4 Ų128.486%0.8677%0.765SS**  trans74.8148.7175.878.30000115.7
597T28.6Very low35.6Very low140 Ų140126.7 Ų126.786%0.85977%0.77SS**  cis-138.5172.310.5-172.70000113.6
598S25.8Very low35Very low96 Ų96125 Ų12567%0.67177%0.771SS**  trans-93-168.6176.7-145.70000110.8
599P55.5Low35.2Very low105 Ų105124 Ų12468%0.68277%0.772SS**  cis-121.2-161-31.417.79.3000110.1
600L28.9Very low35Very low162 Ų162123.3 Ų123.385%0.84877%0.773SS**  171.3176.774.3-155.972.8000110.6
601A26.6Very low35Very low74 Ų74123 Ų12361%0.61278%0.775SS**  trans-117.7-178.7166.500000110.8
602I28.9Very low35.4Very low157 Ų157128.9 Ų128.981%0.80578%0.782SS**  trans77.1110.2172-51.6164.6000115.4
603E29.8Very low35.4Very low191 Ų191128.3 Ų128.389%0.89378%0.778SS**  -150.1177.9112.8-132.8-173.4145.600110.7
604S30Very low36Very low101 Ų101129.8 Ų129.871%0.70678%0.782SS**  trans-113.7-135.4-152.4-61.10000116
605P54.3Low36.5Very low117 Ų117128.9 Ų128.976%0.7678%0.776SS**  -127.1-147.1-112.541-21.4000112.1
606P49.5Very low36.8Very low120 Ų120131.6 Ų131.678%0.77978%0.781SS**  -109.4173.4-59.835.4-22.8000111.4
607A28.8Very low37.1Very low102 Ų102128.4 Ų128.484%0.84377%0.768SS**  trans178.5152.4142.600000113.2
608S30.6Very low37.3Very low113 Ų113128.1 Ų128.179%0.7976%0.762SS**  trans-107.6164.8146870000106.8
609P43.3Very low38Very low109 Ų109131.4 Ų131.471%0.70877%0.77SS**  cis-141.2-177.236.443.1-24.2000116.4
610V30.2Very low37.1Very low130 Ų130135.1 Ų135.179%0.78877%0.771SS**  trans6.2119.8141.2-178.70000117
611E32.3Very low38Very low176 Ų176137 Ų13782%0.82277%0.773SS**  -151.7132.4114.3-123.7-178.9-171.400114.1
612R40.5Very low38.5Very low221 Ų221138.5 Ų138.583%0.83477%0.774SS**  trans-111.4132.4154-75.5178.4-78.693.9-0.3105.1
613P42.9Very low38.7Very low112 Ų112138.2 Ų138.273%0.72777%0.771SS**  -138.1146.9115.235.1-24.4000114.8
614V43.3Very low39Very low137 Ų137136.9 Ų136.983%0.8376%0.762SS**  trans-109.7146.9158.6175.90000105.9
615P53.7Low39.7Very low114 Ų114142 Ų14274%0.7477%0.772SS**  cis-117.3179.1-17.239-26.7000111.9
616L36.1Very low38.7Very low163 Ų163141 Ų14185%0.85377%0.766SS**  trans-152.8135.4146.4-115.6164.3000111.2
617G39.5Very low37.7Very low56 Ų56145 Ų14558%0.57777%0.771SS**  trans-99-155.9171.400000111.9
618N32.8Very low38.6Very low135 Ų135146 Ų14672%0.72277%0.769SS**  trans75.2150.3-166-43.9-54.1000110.5
619I41.4Very low38.4Very low164 Ų164150.5 Ų150.584%0.84177%0.774SS**  cis-129.9146.243.4-67.8145.4000113
620Y35.3Very low37.7Very low183 Ų183154.8 Ų154.872%0.71878%0.781SS**  trans-65.9143172.5-88.8-132000113.3V622Y620-V622 HydrophobicContact CD1-CG2 3.79Å
621K48.8Very low38.3Very low203 Ų203153.8 Ų153.888%0.88378%0.777SS**  trans-171.394.9134.1-99.1145.6-171.8178.10109
622V36.5Very low39.2Very low104 Ų104150.3 Ų150.363%0.6377%0.77SS**  81.5129.366.3174.60000113.5Y620Y620-V622 HydrophobicContact CD1-CG2 3.79Å
623M34Very low39.4Very low151 Ų151145.5 Ų145.574%0.74477%0.768SS**  trans88.8137.9164-108.6-168.5-79.900121.4
624K34.9Very low38.9Very low164 Ų164147.8 Ų147.871%0.71377%0.768SS**  trans68.984.4150.9-72.5171.9179.6171.10119.2P626K624-P626 HydrophobicContact CB-CG 4.13Å; K624-P626 HydrophobicContact CG-CG 4.31Å; K624-P626 WeakPolarHBondContact O-CD 3.45Å
625K44.8Very low38.3Very low207 Ų207146.4 Ų146.490%0.976%0.761SS**PPolyproline II helix-76.6118.7113.5-99.5-81.6-173.2179.70109
626P33.7Very low37.7Very low98 Ų98146.3 Ų146.364%0.63676%0.76SS**PPolyproline II helixtrans-93.1145.7155.3-5.225.4000110.1K624K624-P626 HydrophobicContact CB-CG 4.13Å; K624-P626 HydrophobicContact CG-CG 4.31Å; K624-P626 WeakPolarHBondContact O-CD 3.45Å
627K28.8Very low37.4Very low203 Ų203144.5 Ų144.588%0.88376%0.756SS**PPolyproline II helixtrans-85.1160.7155.2-99.6-179.4175.5-179.80108.9
628P46.9Very low36.9Very low123 Ų123147 Ų14780%0.79976%0.764SS**PPolyproline II helixtrans-77153.7-163.431.2-37.6000114.3
629K25.8Very low37.3Very low208 Ų208145.7 Ų145.790%0.90476%0.763SS**  trans-154.8133.4161-71.4-162.8176.2-171.90111.6
630K30.1Very low36.7Very low198 Ų198142.5 Ų142.586%0.86176%0.762SS**  150.693.1118.6-167.9171.7-176.5-176.70114.6
631P41.3Very low36.4Very low109 Ų109138.1 Ų138.171%0.70876%0.763SS**  trans-82.1-169.2145.539.7-35.4000109.3
632P51.8Low36Very low104 Ų104134 Ų13468%0.67576%0.758SS**  cis-120.6-155.5-0.348.3-32.5000110.2
633P45.3Very low36.4Very low119 Ų119134 Ų13477%0.77376%0.759SS**  cis-70.9178.411.933.4-39.9000113.6
634Q31.8Very low35.9Very low160 Ų160133.1 Ų133.175%0.74876%0.758SS**  cis-133-1260.5-151.5-134.449.900112.7
635T30.6Very low35.7Very low109 Ų109131.9 Ų131.967%0.66976%0.758SS**  trans-153.7174.5-165.143.20000110.3
636P41.1Very low35.1Very low112 Ų112128.7 Ų128.773%0.72775%0.751SS**  cis-128.7-176.9-1.142.7-27.4000115.7
637T29.9Very low34.9Very low125 Ų125129.6 Ų129.677%0.76776%0.76SS**  trans69.780152.9-45.80000120.7
638S28.2Very low35.1Very low107 Ų107124.7 Ų124.775%0.74876%0.757SS**  37.2153.6101-135.50000121.2
639P42.2Very low34.4Very low108 Ų108124.5 Ų124.570%0.70176%0.758SS**  cis-140.7-173.9-49.241.1-24.4000113.7
640A28.2Very low34.7Very low98 Ų98121 Ų12181%0.8175%0.754SS**  trans42.6146.8139.800000122.1
641A28.6Very low35.8Very low91 Ų91117 Ų11775%0.75275%0.748SS**  cis-166.2-178.2-1.900000108.1
642P41Very low36Very low117 Ų117116.6 Ų116.676%0.7675%0.746SS**  trans-94.5-174.7-171.642.9-37.7000112.5
643P44.8Very low35Very low103 Ų103117.8 Ų117.867%0.66975%0.751SS**  cis-131.3-153.11.627.6-1.1000113.3
644D24.6Very low34.2Very low133 Ų133116.5 Ų116.571%0.71175%0.751SS**  trans92.4129.2145.4-67.7-23.6000123.5
645L30.3Very low34.3Very low137 Ų137119.2 Ų119.272%0.71776%0.756SS**  trans63.2116.8138.9-62.4170.3000123.2
646N31.9Very low34.3Very low141 Ų141120.9 Ų120.975%0.75476%0.761SS**  77.5166.1127.4-71.5-10.3000122.4
647S30.4Very low34.1Very low117 Ų117118.6 Ų118.682%0.81874%0.74SS**  trans81.196.1156.5-64.10000119.1
648A32.5Very low34.9Very low100 Ų100116.1 Ų116.183%0.82673%0.726SS**  trans-44.2152.9150.900000115.9
649S31.1Very low34.9Very low118 Ų118119.4 Ų119.483%0.82573%0.727SS**  trans-153.9175.1136.155.40000109.2
650V33.7Very low34.6Very low135 Ų135120.4 Ų120.482%0.81873%0.726SS**  trans-116.1-165.9-167.7-1360000110.8
651P52.5Low35.3Very low113 Ų113120.3 Ų120.373%0.73472%0.717SS**  trans-101.6-153.7-144.442-22.4000111.4
652P45.8Very low35.3Very low102 Ų102123.9 Ų123.966%0.66272%0.718SS**  -155.2-178.463.439.8-15.8000118.1
653T30.1Very low34.6Very low128 Ų128123 Ų12379%0.78572%0.715SS**  trans50.1131.4147.650.40000123.1
654A29.8Very low33.8Very low93 Ų93126 Ų12677%0.76973%0.726SS**  -178.5162.7103.700000114.3
655Y32.3Very low34Very low216 Ų216124.6 Ų124.685%0.84773%0.726SS**  trans-53.1177.1176.8-61.7-97000115.8
656D30.3Very low33.8Very low144 Ų144125.9 Ų125.977%0.7773%0.728SS**  cis-160.7179.722-144.4-20.5000114.2
657H38.1Very low33.4Very low65 Ų65127.1 Ų127.130%0.30173%0.729SS.*  trans-114.6-166.5178.4-106.513.5000111.7D186 H187 H188D186-H657 VanDerWaalsContact CA-NE2 3.34Å; D186-H657 WeakPolarHBondContact CA-NE2 3.15Å; D186-H657 WeakPolarHBondContact CB-CE1 3.15Å; D186-H657 WeakPolarHBondContact CB-NE2 3.27Å; D186-H657 PolarHBondContact O-CE1 1.84Å; D186-H657 PolarHBondContact O-NE2 3.21Å; D186-H657 VanDerWaalsContact O-NE2 3.13Å; D186-H657 IonicContact OD1-CD2 3.76Å; D186-H657 IonicContact OD1-CE1 2.8Å; D186-H657 IonicContact OD1-NE2 2.83Å; D186-H657 PolarHBondContact OD1-NE2 3.21Å; D186-H657 IonicContact OD2-CD2 3.96Å; D186-H657 IonicContact OD2-NE2 3.61Å; D186-H657 PolarHBondContact OD2-NE2 2.89Å; H187-H657 WeakPolarHBondContact CA-NE2 3.26Å; H187-H657 AromaticContact CE1-CE1 3.39Å; H187-H657 PolarHBondContact CE1-CE1 3.45Å; H187-H657 AromaticContact CE1-ND1 3.35Å; H187-H657 PolarHBondContact CE1-ND1 3.38Å; H187-H657 VanDerWaalsContact CE1-ND1 3.35Å; H187-H657 PolarHBondContact N-NE2 3.26Å; H187-H657 AromaticContact ND1-CE1 2.93Å; H187-H657 PolarHBondContact ND1-CE1 3.07Å; H187-H657 AromaticContact ND1-ND1 3.67Å; H187-H657 AromaticContact ND1-NE2 3.76Å; H188-H657 AromaticContact CE1-CD2 3.35Å; H188-H657 PolarHBondContact CE1-CD2 2.75Å; H188-H657 AromaticContact NE2-CD2 3.72Å
658P45.9Very low33.1Very low73 Ų73124.8 Ų124.847%0.47472%0.724SS.*  cis-139.7-169.86.534-9.6000116.3
659F29.5Very low33.7Very low175 Ų175125.5 Ų125.577%0.76872%0.72SS**  trans141.5138.7133.7-75.4-63.1000116.6
660L35.1Very low33.4Very low129 Ų129128 Ų12868%0.67572%0.719SS**  trans-111.7179.2173.4-80.2173.7000108.4H188H188-L660 HydrophobicContact CB-CD1 4.32Å
661P42.3Very low33.4Very low97 Ų97128 Ų12863%0.6371%0.714SS**  cis-160.4-172.637.841.2-15000121.2
662H29.1Very low32.3Very low165 Ų165130.7 Ų130.776%0.76472%0.716SS**  trans86.5109.1148.3-65.9-34.1000124.5
663S27Very low31.4Very low100 Ų100132 Ų13270%0.69972%0.718SS**  87.1114.7111.2-58.70000124.7
664N27.1Very low31.5Very low166 Ų166133.6 Ų133.689%0.88871%0.714SS**  trans68.1178.8130.1-83.819.5000122.9
665S29.6Very low31.7Very low102 Ų102134.6 Ų134.671%0.71372%0.715SS**  trans-129.8157.7-145.2-410000114.7
666Q26Very low31.8Very low164 Ų164133.7 Ų133.777%0.76672%0.716SS**  trans81.8140.1143.7-145.4176.4-56.200120.6
667E23.5Very low31.8Very low167 Ų167133.1 Ų133.178%0.7872%0.718SS**  trans95.9120.1141.4-141.3140-85.600123.4
668G24.2Very low31.9Very low68 Ų68138.1 Ų138.170%0.70175%0.746SS**  trans84.5176.9141.700000120
669P44.4Very low31.6Very low116 Ų116140.6 Ų140.675%0.75376%0.761SS**  cis-142176.3-4140.1-25.1000114.4
670E25.1Very low31.8Very low170 Ų170138 Ų13879%0.79477%0.765SS**  trans56.2142.1154-99-175.1116.400120.6
671L33.8Very low31.8Very low136 Ų136142.8 Ų142.871%0.71277%0.774SS**  cis-156.2-174.140.1-119.5173000112.8
672Q28.9Very low31.3Very low168 Ų168145.2 Ų145.279%0.78578%0.779SS**  trans-78.1150.4-165.5-55.9160.535.400116.9
673D26.7Very low31.7Very low130 Ų130143 Ų14370%0.69578%0.777SS**  -158.3177.7121.4-1450.6000116.1
674K32.4Very low31.9Very low162 Ų162145.5 Ų145.570%0.70478%0.781SS**  trans-103.4126.8-153.460.5-150.4163.1-91.90118.7
675S34.6Very low32Very low114 Ų114142.8 Ų142.880%0.79778%0.775SS**  trans168.8121.6140.239.80000110.5
676K34.3Very low32.1Very low197 Ų197142.7 Ų142.786%0.85777%0.773SS**  81.8108.265.5-75-175.8179.1179.80115.7
677T31.3Very low32.6Very low132 Ų132142.9 Ų142.981%0.8178%0.778SS**  trans83.9119.6148.7-51.50000119.9
678L38.4Very low33.5Very low170 Ų170139.3 Ų139.389%0.8978%0.778SS**  trans-78.1144158.4-66171.7000110.1
679P40.5Very low34.4Very low124 Ų124142.5 Ų142.581%0.80577%0.774SS**  -148.1179102.239.3-23.5000114.9
680S34.3Very low34.4Very low121 Ų121144.8 Ų144.885%0.84678%0.779SS**  trans-83.3129.5-177.3-177.70000114.6
681R34.4Very low35.2Very low230 Ų230140.5 Ų140.587%0.86877%0.768SS**  trans-171.4141.6158.9-106.2172.377.2166.22.5108
682M31.7Very low35.3Very low148 Ų148138.6 Ų138.673%0.72976%0.759SS**  cis76.2134.219.6-151.1173.874.900114.8
683T36.4Very low35.6Very low118 Ų118138.2 Ų138.272%0.72475%0.754SS**  cis-103.1-118.97.6-34.50000113.5
684I32.3Very low36.3Very low153 Ų153139.2 Ų139.279%0.78575%0.753SS**  cis-157.6158.83.2-21.7175.6000110.4
685S29.5Very low36.8Very low108 Ų108141 Ų14176%0.75576%0.76SS**  trans70.7136.8165.7-101.90000119.4
686C32Very low37.3Very low101 Ų101140.5 Ų140.568%0.68275%0.754SS**  cis-160.6151.8-9.4-133.70000112.6
687L36.3Very low37.8Very low167 Ų167141.2 Ų141.287%0.87476%0.758SS**  trans55138.8154.3-69.2162.8000119.6
688A41.6Very low38.3Very low92 Ų92140.5 Ų140.576%0.7675%0.753SS**  cis-146.4-157.18.900000112
689E42.8Very low38.9Very low136 Ų136137.2 Ų137.264%0.63674%0.742SS**  trans-123174.3173.1-121.6-151.8152.600109.9S691E689-S691 VanDerWaalsContact OE1-CA 3.27Å; E689-S691 WeakPolarHBondContact OE1-CA 3.43Å; E689-S691 WeakPolarHBondContact OE1-CB 3.45Å; E689-S691 PolarHBondContact OE1-N 3.07Å; E689-S691 VanDerWaalsContact OE2-CB 3.28Å; E689-S691 WeakPolarHBondContact OE2-CB 3.36Å
690L45.9Very low38.8Very low163 Ų163136.8 Ų136.885%0.85374%0.739SS**  -136.1123.959.5-45174.6000110.5
691S41.6Very low39.8Very low81 Ų81137.1 Ų137.157%0.56674%0.738SS**  75.7134.970.71030000114.4E689E689-S691 VanDerWaalsContact OE1-CA 3.27Å; E689-S691 WeakPolarHBondContact OE1-CA 3.43Å; E689-S691 WeakPolarHBondContact OE1-CB 3.45Å; E689-S691 PolarHBondContact OE1-N 3.07Å; E689-S691 VanDerWaalsContact OE2-CB 3.28Å; E689-S691 WeakPolarHBondContact OE2-CB 3.36Å
692D34.3Very low40.2Very low96 Ų96132.8 Ų132.851%0.51374%0.737SS.*  cis-165.7-179-17.4-169-8.3000109.1K694D692-K694 IonicContact OD1-NZ 3.71Å; D692-K694 PolarHBondContact OD1-NZ 3.07Å; D692-K694 IonicContact OD2-NZ 2.69Å
693K36.9Very low40.6Very low159 Ų159130.9 Ų130.969%0.69174%0.736SS**  trans9769.5153.9-49.3-59.8162.780.90121.8
694K39.6Very low40.7Very low151 Ų151134.4 Ų134.466%0.65774%0.741SS**  64.4137.4123.9-37.9-43.8-174-1520123.3D692D692-K694 IonicContact OD1-NZ 3.71Å; D692-K694 PolarHBondContact OD1-NZ 3.07Å; D692-K694 IonicContact OD2-NZ 2.69Å
695K43.7Very low41.2Very low199 Ų199136.4 Ų136.487%0.86574%0.744SS**  trans74.8157.7152.1-52.1-151.2-175.8-178.80118.6
696P44.8Very low42.1Very low104 Ų104137.4 Ų137.468%0.67575%0.748SS**  cis-127.3171.4-41.736.6-22.6000113.2
697K45.5Very low42.2Very low212 Ų212139.8 Ų139.892%0.92275%0.754SS**  trans-72123.6170.6-163.994.6169.4-171.20109.6
698V41.5Very low42.3Very low117 Ų117136.9 Ų136.971%0.70974%0.743SS**  trans-110.8132.6179.8-179.10000110.2
699P52Low42.4Very low101 Ų101140.9 Ų140.966%0.65675%0.75SS**PPolyproline II helixtrans-75.7161.417731.6-35.7000112.7
700P36.5Very low42Very low116 Ų116141.5 Ų141.575%0.75376%0.758SS**PPolyproline II helixtrans-66.9138.5-177.927.2-35000112.6
701P55.8Low41.5Very low127 Ų127141.2 Ų141.283%0.82576%0.756SS**PPolyproline II helixtrans-77.4129.5-174.729.7-34.7000113.1
702V42.9Very low41.2Very low139 Ų139143.3 Ų143.384%0.84277%0.768SS**PPolyproline II helixtrans-89.4127.1174-176.90000110.1
703P40.3Very low41Very low108 Ų108145.1 Ų145.170%0.70178%0.782SS**PPolyproline II helixtrans-95.4119.4-176.933.3-31.9000113.5
704K39.1Very low41.2Very low192 Ų192142.7 Ų142.784%0.83578%0.783SS**  trans-171.6118.3145.5-101.4143.6-169.7176.40114.2
705K43.5Very low40.7Very low195 Ų195142.8 Ų142.885%0.84879%0.79SS**  trans47.7112.9143.3-55.9-176.7178.7-172.60120.3
706P47Very low40.2Very low129 Ų129141.1 Ų141.184%0.83879%0.785SS**  trans-81.4167.1143.935.5-32.4000111.4
707N34.8Very low40Very low151 Ų151141.2 Ų141.281%0.80779%0.785SS**  trans-127.1157.9178.6-140.2-3.8000109
708V38.2Very low39.2Very low107 Ų107136.6 Ų136.665%0.64878%0.779SS**  trans38.2118.5161.1-174.40000118.9L710V708-L710 HydrophobicContact CG1-CD1 3.87Å
709L44.5Very low38.6Very low175 Ų175136.6 Ų136.692%0.91678%0.78SS**  trans-118.2141.1148.7-71176.8000109.2
710L34.2Very low37.6Very low150 Ų150139.5 Ų139.579%0.78579%0.79SS**PPolyproline II helixtrans-103.8164.6176.8-120.671.4000111V708V708-L710 HydrophobicContact CG1-CD1 3.87Å
711L35.4Very low37.4Very low156 Ų156137.7 Ų137.782%0.81779%0.793SS**PPolyproline II helixtrans-71.5151.4-177.3-71.171.6000112.7
712P35.3Very low36.2Very low126 Ų126137.1 Ų137.182%0.81879%0.792SS**PPolyproline II helixtrans-93.8141.7151.46.513.6000111.7
713T29.1Very low35.9Very low134 Ų134136.6 Ų136.682%0.82279%0.789SS**PPolyproline II helixtrans-101.7147.3169.4-39.40000108.8
714P40.9Very low35.5Very low108 Ų108137.7 Ų137.770%0.70179%0.789SS**PPolyproline II helixtrans-82.1148-171.531-36.6000115.7
715L29.8Very low35.4Very low152 Ų152138.3 Ų138.380%0.79679%0.786SS**  trans27.3140.7130.7-85.190.5000120
716H32.6Very low34.8Very low165 Ų165137.6 Ų137.676%0.76479%0.785SS**  cis-155.6-142.94.6-150.8-144.5000113
717P41.8Very low33.8Very low106 Ų106139 Ų13969%0.68878%0.784SS**  trans-113.2-178.4-135.344.7-29.5000116
718S27.3Very low34.6Very low114 Ų114136.6 Ų136.680%0.79778%0.777SS**  trans-150.1164.4155.3-1590000114.5
719T29.6Very low34Very low117 Ų117139.5 Ų139.572%0.71878%0.783SS**  trans-70.6152.6-171.446.10000114.7
720N30.3Very low33.3Very low163 Ų163135.1 Ų135.187%0.87277%0.768SS**  70.2130.359.6-89.6-0.5000115.4
721G32.1Very low32.9Very low78 Ų78134.9 Ų134.980%0.80477%0.767SS**  trans87.7120.9178.400000113.3
722S31.5Very low32.5Very low115 Ų115132.6 Ų132.680%0.80476%0.764SS**  cis97.3104.722.3-155.10000115.6
723T36.7Very low33.1Very low127 Ų127131.6 Ų131.678%0.77976%0.757SS**  trans70.894.1150.4-340000121
724D32.3Very low33Very low131 Ų131131.6 Ų131.670%0.70176%0.757SS**  trans62.2132.7135.3-15233.5000123.8
725R37.4Very low32.3Very low206 Ų206129.4 Ų129.478%0.77775%0.754SS**  trans78.5134.5151.5-94.6167-164.6-97.5-9.3124.8
726Q29.3Very low32.3Very low180 Ų180130 Ų13084%0.84176%0.757SS**  trans86.1156.9158.1-65.9-172.8-77.400120.5
727I27.3Very low32.1Very low158 Ų158133.1 Ų133.181%0.8176%0.763SS**  trans-163.1153.1-149.6-63.3172.3000105.3
728P51.7Low31.6Very low101 Ų101132.3 Ų132.366%0.65676%0.759SS**  cis-128.2-167.7-4.223.91.7000114.6
729Q25.4Very low32.3Very low167 Ų167132.1 Ų132.178%0.7876%0.755SS**  trans107.2119.1145.1-59.6-160.9-122.400121.4
730S28.5Very low32.2Very low84 Ų84133 Ų13359%0.58776%0.761SS**  trans61.5162.5132.669.30000124
731D26Very low32.1Very low144 Ų144128.8 Ų128.877%0.7776%0.755SS**  trans84.2100.4154.3-51.6-46000121.2
732S28.7Very low31.8Very low108 Ų108128.8 Ų128.876%0.75575%0.747SS**  trans-54.8154135.6-164.60000109.4
733P47.9Very low31.7Very low105 Ų105133 Ų13368%0.68275%0.752SS**  cis-156.8-164.239.245.1-22.6000117.2
734V25.1Very low31.6Very low134 Ų134131.2 Ų131.281%0.81275%0.75SS**  trans61.5137.1148.41650000120.4
735G27.5Very low32Very low63 Ų63129.8 Ų129.865%0.64975%0.748SS**  trans153.882.4166.400000111.6
736L28.4Very low31.6Very low163 Ų163126.8 Ų126.885%0.85375%0.747SS**  47.8123.490.9-54.7178000111.9
737R30.1Very low31.5Very low232 Ų232125.5 Ų125.588%0.87575%0.746SS**  cis-169.2136.847.9-179.2170.7-174.91591.2112.5
738S30.7Very low31.6Very low89 Ų89125.6 Ų125.662%0.62275%0.745SS**  trans-86.7151.3164.1173.60000111V740S738-V740 PolarHBondContact OG-N 3.39Å
739P42.4Very low31Very low110 Ų110126 Ų12671%0.71475%0.748SS**  -107131.6125.9-12.830.8000109.6
740V27.3Very low31.2Very low136 Ų136123.1 Ų123.182%0.82475%0.752SS**  60.9116.560.2-179.10000110.4S738S738-V740 PolarHBondContact OG-N 3.39Å
741G27.3Very low31.2Very low73 Ų73124 Ų12475%0.75376%0.758SS**  cis-178.9-172.5-0.800000108
742A27.7Very low31.2Very low78 Ų78122.1 Ų122.165%0.64576%0.756SS**  cis-163.1177.6-11.200000105.8
743F28Very low31Very low205 Ų205123.7 Ų123.790%0.89976%0.761SS**  cis-143.4160.914.2-66.6-95.9000111.2
744A35.6Very low30Very low89 Ų89121.7 Ų121.774%0.73676%0.76SS**  trans-122.1170.7138.300000105.5
745P40.8Very low30.5Very low101 Ų101123.1 Ų123.166%0.65676%0.763SS**  -147.5-157.450.845.1-24.2000113.8
746D27.4Very low30.5Very low143 Ų143126.7 Ų126.777%0.76577%0.766SS**  trans32.8126.1147.2-46.1-32.2000118.3
747D28.5Very low30.7Very low153 Ų153125 Ų12582%0.81876%0.756SS**  -155.4-175.567.9-137.7-36.7000115.7
748M28.4Very low30.8Very low159 Ų159118.9 Ų118.978%0.78375%0.749SS**  trans-43163-177.4-76.3-74.8-79.100119.3
749P39.4Very low30.9Very low111 Ų111121.5 Ų121.572%0.72175%0.751SS**  trans-80173.9-175.634.8-38.8000114.7
750A30.1Very low30.4Very low105 Ų105123.9 Ų123.987%0.86875%0.753SS**  trans80.1107166.100000118.5
751S27.6Very low30.6Very low104 Ų104123.3 Ų123.373%0.72775%0.745SS**  trans-132115.5148.859.90000106.2
752S26.6Very low31.1Very low103 Ų103127.6 Ų127.672%0.7275%0.745SS**  63.8137.870.1810000113.7
753T24.8Very low31.4Very low141 Ų141128.3 Ų128.387%0.86574%0.739SS**  cis-168.1145.7-11.5-89.70000107.7
754G27.6Very low31.7Very low64 Ų64127 Ų12766%0.6674%0.735SS**  trans83146.3172.200000114.2
755L34.2Very low31.6Very low164 Ų164130.4 Ų130.486%0.85974%0.74SS**  cis-133.51303-69.9169.4000107.2
756D28.9Very low31Very low137 Ų137129 Ų12973%0.73374%0.743SS**  68.4123.885.9-158.566.1000112.3
757M31.7Very low31.8Very low127 Ų127127.8 Ų127.863%0.62674%0.743SS**  cis-122.9167.41.6-101.8-89.291.400108.8E759M757-E759 HydrophobicContact CE-CG 4.29Å
758S31.9Very low31.8Very low105 Ų105127.6 Ų127.673%0.73474%0.742SS**  cis-159.415942.9-176.90000112.7
759E32.5Very low32.2Very low144 Ų144128 Ų12867%0.67374%0.742SS**  trans-65.9171173.2-62.9153125.700113M757M757-E759 HydrophobicContact CE-CG 4.29Å
760Q32.2Very low31.7Very low159 Ų159129.2 Ų129.274%0.74374%0.743SS**  cis-159.7169.66.9-133.7179.1-48.700106.6
761D30.7Very low31.8Very low124 Ų124128.2 Ų128.266%0.66373%0.73SS**  cis-149.2175.2-1.4-153.5-21.8000109.1
762E38.3Very low32Very low163 Ų163127.7 Ų127.776%0.76273%0.726SS**  trans-84.5-168-175.7-47-174.4124.100113.1
763N35.1Very low32.3Very low94 Ų94132.2 Ų132.250%0.50373%0.733SS.*  cis-143.8-168.43.4-143.9-98.3000104.8
764H33.3Very low32.6Very low176 Ų176134 Ų13482%0.81573%0.731SS**  cis-143.9166.821.2-81.8-59.7000114.3
765L33.5Very low32.8Very low162 Ų162135.4 Ų135.485%0.84873%0.731SS**  trans-54.4168.5161.7-47.9170000113.5
766G28.4Very low32.3Very low70 Ų70133.4 Ų133.472%0.72273%0.73SS**  cis-170.4-173.39.300000113
767P44.6Very low32.4Very low118 Ų118134 Ų13477%0.76673%0.733SS**  trans-111.3170.9-154.341.8-36.7000116.8
768D28.4Very low32.2Very low150 Ų150136.4 Ų136.480%0.80274%0.743SS**  trans158.8157.5139.5-85.1-8.3000108.7
769E35.9Very low31.9Very low166 Ų166136.9 Ų136.978%0.77675%0.746SS**  cis-174131.8-42.9-115.1-61.7101.800104.6
770D29Very low31.5Very low138 Ų138135.4 Ų135.474%0.73875%0.752SS**  trans66.9154.4156.6-153.633.9000125.5
771S32.2Very low31.6Very low84 Ų84135.1 Ų135.159%0.58775%0.754SS**  trans73.897.4149.2-89.60000124.2
772S32.9Very low31.5Very low93 Ų93138 Ų13865%0.6576%0.764SS**  60103.5108.6-59.50000121.7
773K33.2Very low30.8Very low198 Ų198137.1 Ų137.186%0.86176%0.764SS**  40.4114.3125.2-53164.4-169.3157.20119.3
774E29.1Very low30.5Very low177 Ų177136.8 Ų136.883%0.82777%0.769SS**  trans-156.6168.3130.5-169.440.9-105.900109.4
775S32.2Very low30.1Very low94 Ų94133.6 Ų133.666%0.65777%0.767SS**  trans-115.5139.2177.463.60000111.5
776S25.1Very low30Very low122 Ų122133.2 Ų133.285%0.85377%0.765SS**  trans-165.6179.7146.8-154.80000111.7
777L30.2Very low30.1Very low151 Ų151135.4 Ų135.479%0.79176%0.764SS**  trans-113.6161.1-175.6-61.5167.7000112.1
778Q27.3Very low29.4Very low177 Ų177137.6 Ų137.683%0.82776%0.764SS**  trans92.3134.2136.4-154.5170.6-44.400119.6
779S24.9Very low29.7Very low114 Ų114138.2 Ų138.280%0.79777%0.766SS**  trans70.1158.8173.881.90000115.9
780S25.3Very low29.3Very low114 Ų114133.3 Ų133.380%0.79776%0.76SS**  cis-140.9173.9-0-155.40000112.7
781L33Very low29.2Very low152 Ų152134.7 Ų134.780%0.79676%0.762SS**  trans-69.5147.3176-62.5162.4000112.3
782Q29Very low29.3Very low186 Ų186138.4 Ų138.487%0.86977%0.767SS**  -128.7133.9125.9-65.7-170.80.400106.2
783D23.3Very low29.6Very low144 Ų144141.6 Ų141.677%0.7777%0.774SS**  68.4133.664.8-98.4-47.5000112.8
784S29.6Very low29.3Very low86 Ų86136.1 Ų136.160%0.60177%0.765SS**  cis-152.5176.43.9-60.70000111.8
785S25.8Very low29.3Very low110 Ų110133 Ų13377%0.76976%0.764SS**  trans61.5144.3150.947.70000120.2
786L30.2Very low29.5Very low153 Ų153135.7 Ų135.780%0.80178%0.776SS**  cis85.3144.824.1-163.7143.4000114.4
787T30.2Very low29.6Very low116 Ų116133 Ų13371%0.71277%0.768SS**  trans63.6136.6-159.847.90000114.3
788E31.5Very low29.8Very low164 Ų164134.6 Ų134.677%0.76678%0.775SS**  cis85.4135.723.1-161.7178.4173.600114.6
789I34.1Very low29.9Very low163 Ų163129.2 Ų129.284%0.83677%0.767SS**  trans66.2140.7-175.5-66.9150.1000114.1
790G26.2Very low30.4Very low63 Ų63127.8 Ų127.865%0.64976%0.762SS**  cis156.8162.6-10.600000114
791E28.1Very low30.7Very low167 Ų167129.9 Ų129.978%0.7877%0.765SS**  trans73.8138.6157.4-60.2-161.8175.100123.5
792K34.4Very low30.8Very low162 Ų162129.1 Ų129.170%0.70476%0.761SS**  trans69.7146.8148.8-67.915880.7174.90117.5
793M38.1Very low31.3Very low161 Ų161127.3 Ų127.379%0.79376%0.757SS**  cis-162.9168.42.7-119.5179.1-35.200108.2
794A27.5Very low31.7Very low82 Ų82124.4 Ų124.468%0.67875%0.753SS**  cis-154.2141.2-5.200000107.8
795S29.6Very low31.9Very low113 Ų113125.1 Ų125.179%0.7976%0.764SS**  70.696.787.2-165.40000118.5
796T35.8Very low32.2Very low149 Ų149127.5 Ų127.591%0.91477%0.768SS**  trans178.6132.6140.438.60000110
797G28.4Very low32.5Very low66 Ų66126.9 Ų126.968%0.6876%0.761SS**  cis162124.6-16.100000115
798I33.6Very low33.1Very low184 Ų184129.3 Ų129.394%0.94476%0.762SS**  trans69.8137159.6-46.6170.5000115.8
799G28.7Very low33.2Very low64 Ų64128.1 Ų128.166%0.6677%0.766SS**  cis-157.6160.3-2.300000109.8
800A35.3Very low33.1Very low84 Ų84124.2 Ų124.269%0.69476%0.758SS**  98.3127.162.700000111.7
801D32.5Very low33.4Very low159 Ų159129 Ų12985%0.8577%0.768SS**  cis-146.1-160.4-18-72.7-54.2000105.7
802D35.6Very low33.4Very low135 Ų135129.6 Ų129.672%0.72277%0.77SS**  cis-163.1175.35.5-169.511.8000109.4
803L39.5Very low33.4Very low149 Ų149128.8 Ų128.878%0.7877%0.772SS**  trans70.6144.2162.6-53.5-178.8000120.1
804A32Very low33.1Very low83 Ų83125.6 Ų125.669%0.68677%0.771SS**  cis-169.3153.3-20.200000112.6
805A32.8Very low33.8Very low101 Ų101129.8 Ų129.884%0.83578%0.777SS**  trans64.3156.6157.400000118.9
806D31.2Very low34.1Very low160 Ų160132.5 Ų132.586%0.85678%0.777SS**  cis-145.7165.10.6-164.815.5000111.9
807E37Very low34.2Very low140 Ų140131.6 Ų131.665%0.65477%0.771SS**  trans-114.8125.2-179.7-130.1-158-148.800114.1
808K43.8Very low35Very low166 Ų166136.6 Ų136.672%0.72278%0.777SS**  trans52.4110.2130.6169.3-150.6-178.7179.70120
809T33.3Very low35.2Very low139 Ų139135.7 Ų135.785%0.85377%0.774SS**  trans-154.9148.4136.534.90000108.5
810A31.2Very low36.1Very low81 Ų81140 Ų14067%0.66978%0.782SS**  cis98.679.718.700000116.4
811L32.3Very low36.4Very low165 Ų165143.4 Ų143.486%0.86479%0.788SS**  trans57.9117.7150.1-51.8173.8000119.8
812H28.4Very low36.8Very low178 Ų178143.5 Ų143.582%0.82479%0.787SS**  -169.5179.897.8-137.2-102.5000113.1
813I33.8Very low36.9Very low146 Ų146143.4 Ų143.475%0.74979%0.792SS**  trans-108.7148.7-169.6-61.4160.3000112
814A32.3Very low36.7Very low93 Ų93141.6 Ų141.677%0.76979%0.792SS**  trans-134.7149.6150.800000109.9
815E43.5Very low36.7Very low171 Ų171142.5 Ų142.580%0.79979%0.789SS**  trans-74.2169.7174.1-69.3145.5132.900109.9
816E35.9Very low37.3Very low169 Ų169143.6 Ų143.679%0.7979%0.788SS**  cis-170.1173.236-153.5160.2-115.400111.3
817T37.7Very low37.8Very low130 Ų130140.9 Ų140.980%0.79878%0.777SS**  trans87.5126.9168-44.60000119
818E43.6Very low38.4Very low172 Ų172140.3 Ų140.380%0.80478%0.783SS**  trans-71.3156.9179.5-33.1-86.7128.400113.7
819D38.3Very low39.5Very low165 Ų165138 Ų13888%0.88277%0.774SS**  -167.6150.2119.1-109.3-24.7000113.9L821D819-L821 PolarHBondContact O-N 3.31Å
820D47.4Very low42Very low155 Ų155135.2 Ų135.283%0.82976%0.758SS**SBendtrans-63.7119.8-165.8-84.4-43.6000116.4
821L43.3Very low44.6Very low155 Ų155136.4 Ų136.481%0.81276%0.757SS**SBend-169.9-26.7126.9-166.749.6000114.9D819D819-L821 PolarHBondContact O-N 3.31Å
822L39.9Very low47.3Very low161 Ų161134.3 Ų134.384%0.84374%0.742SS**  trans-95.212.6-165.3-65.5178.7000116.4S824L822-S824 VanDerWaalsContact C-N 3.26Å; L822-S824 PolarHBondContact O-N 3.24Å
823T37.7Very low50.3Low132 Ų132128.5 Ų128.581%0.8172%0.718SS**  trans-86.549.8-174.2-34.80000113.8
824S35.8Very low53.3Low112 Ų112125.4 Ų125.478%0.78370%0.702SS**  trans-122.262.9158.573.80000109.9L822L822-S824 VanDerWaalsContact C-N 3.26Å; L822-S824 PolarHBondContact O-N 3.24Å
825T31.7Very low56.3Low101 Ų101126.7 Ų126.762%0.6269%0.691SS**  trans-55.1142.9164.148.20000109.1T827T825-T827 PolarHBondContact O-N 3.27Å
826P44.8Very low58.6Low125 Ų125122 Ų12281%0.81267%0.673SS**  trans-71.984.9178.229.7-34.1000108.9T828P826-T828 PolarHBondContact O-N 3.03Å
827T42.6Very low61.4Low102 Ų102117.7 Ų117.763%0.62666%0.655SS**  trans-57.6116.5172.942.90000108T825 H829T825-T827 PolarHBondContact O-N 3.27Å; T827-H829 PolarHBondContact O-N 3.22Å
828T48.5Very low64.1Low129 Ų129116 Ų11679%0.79164%0.64SS**  trans-61.3101.9179.136.20000108.1P826 T830P826-T828 PolarHBondContact O-N 3.03Å; T828-T830 PolarHBondContact O-N 3.06Å
829H68.5Low66.4Low116 Ų116112.6 Ų112.654%0.53762%0.624SS.*  trans-52.7105.6-173.6-72.8-69.5000109.9T827 D833 L834T827-H829 PolarHBondContact O-N 3.22Å; H829-D833 IonicContact CE1-OD2 3.64Å; H829-D833 IonicContact CG-OD2 3.72Å; H829-D833 IonicContact ND1-OD2 2.75Å; H829-D833 PolarHBondContact ND1-OD2 3.37Å; H829-L834 HydrophobicContact CB-CD1 4.39Å; H829-L834 HydrophobicContact CB-CG 4.18Å
830T84.3Confident68.9Low82 Ų82113.2 Ų113.250%0.50361%0.614SS.*  trans-63.5155.9179.665.10000108.8T828 E832 D833 L834T828-T830 PolarHBondContact O-N 3.06Å; T830-E832 PolarHBondContact O-N 3.31Å; T830-E832 VanDerWaalsContact O-N 3.15Å; T830-D833 PolarHBondContact O-N 2.72Å; T830-D833 PolarHBondContact OG1-N 3.38Å; T830-L834 PolarHBondContact O-N 2.81Å
831T87.1Confident70.9Confident105 Ų105108.8 Ų108.864%0.64460%0.595SS**Hα-helixtrans-56.1-32.5176.744.50000111.9L834 F835T831-L834 WeakPolarHBondContact O-CB 3.28Å; T831-F835 WeakPolarHBondContact O-CD2 3.35Å; T831-F835 WeakPolarHBondContact O-CG 3.27Å; T831-F835 PolarHBondContact O-N 2.79Å
832E87.4Confident73.2Confident121 Ų121107 Ų10757%0.56558%0.581SS**Hα-helixtrans-71.9-36.7175-172.655-149.200113.8T830 F835 T836T830-E832 PolarHBondContact O-N 3.31Å; T830-E832 VanDerWaalsContact O-N 3.15Å; E832-F835 PolarHBondContact O-N 3.1Å; E832-T836 VanDerWaalsContact O-CB 3.28Å; E832-T836 WeakPolarHBondContact O-CB 3.23Å; E832-T836 PolarHBondContact O-N 3.16Å; E832-T836 PolarHBondContact O-OG1 3.24Å
833D92.7Very high75.2Confident57 Ų57105 Ų10531%0.30556%0.562SS.*Hα-helixtrans-66.8-41.8171.7-177.342.5000110.7H829 T830 F835 T836 I837H829-D833 IonicContact CE1-OD2 3.64Å; H829-D833 IonicContact CG-OD2 3.72Å; H829-D833 IonicContact ND1-OD2 2.75Å; H829-D833 PolarHBondContact ND1-OD2 3.37Å; T830-D833 PolarHBondContact O-N 2.72Å; T830-D833 PolarHBondContact OG1-N 3.38Å; D833-F835 PolarHBondContact O-N 3.07Å; D833-T836 CarbonylContact O-C 3.58Å; D833-T836 WeakPolarHBondContact O-CB 3.42Å; D833-T836 PolarHBondContact O-N 3.01Å; D833-T836 VanDerWaalsContact O-N 3.12Å; D833-I837 WeakPolarHBondContact O-CB 3.17Å; D833-I837 VanDerWaalsContact O-CG1 3.27Å; D833-I837 WeakPolarHBondContact O-CG1 3.05Å; D833-I837 PolarHBondContact O-N 3.24Å; D833-I837 WeakPolarHBondContact OD2-CD1 3.42Å
834L95.5Very high77.3Confident81 Ų81106.2 Ų106.242%0.42456%0.556SS.*Hα-helixtrans-56.8-46.9170.8-78.3158.3000111.7H829 T830 T831 T836 I838H829-L834 HydrophobicContact CB-CD1 4.39Å; H829-L834 HydrophobicContact CB-CG 4.18Å; T830-L834 PolarHBondContact O-N 2.81Å; T831-L834 WeakPolarHBondContact O-CB 3.28Å; L834-T836 VanDerWaalsContact C-N 3.34Å; L834-T836 PolarHBondContact O-N 3.48Å; L834-I838 VanDerWaalsContact O-CB 3.28Å; L834-I838 WeakPolarHBondContact O-CB 3.38Å; L834-I838 WeakPolarHBondContact O-CD1 3.46Å; L834-I838 WeakPolarHBondContact O-CG1 3.25Å; L834-I838 PolarHBondContact O-N 2.69Å
835F95.4Very high79.5Confident120 Ų120106.5 Ų106.553%0.52655%0.553SS.*Hα-helixtrans-63.6-37.9174.5-70.7-51.4000112.6T831 E832 D833 I838 H839T831-F835 WeakPolarHBondContact O-CD2 3.35Å; T831-F835 WeakPolarHBondContact O-CG 3.27Å; T831-F835 PolarHBondContact O-N 2.79Å; E832-F835 PolarHBondContact O-N 3.1Å; D833-F835 PolarHBondContact O-N 3.07Å; F835-I838 PolarHBondContact O-N 3.43Å; F835-H839 VanDerWaalsContact O-CB 3.24Å; F835-H839 WeakPolarHBondContact O-CB 3.46Å; F835-H839 PolarHBondContact O-N 3.3Å
836T92.8Very high81.9Confident71 Ų71107.2 Ų107.244%0.43655%0.552SS.*Hα-helixtrans-66.1-46.9177.2-69.30000111.8E832 D833 L834 H839 R840E832-T836 VanDerWaalsContact O-CB 3.28Å; E832-T836 WeakPolarHBondContact O-CB 3.23Å; E832-T836 PolarHBondContact O-N 3.16Å; E832-T836 PolarHBondContact O-OG1 3.24Å; D833-T836 CarbonylContact O-C 3.58Å; D833-T836 WeakPolarHBondContact O-CB 3.42Å; D833-T836 PolarHBondContact O-N 3.01Å; D833-T836 VanDerWaalsContact O-N 3.12Å; L834-T836 VanDerWaalsContact C-N 3.34Å; L834-T836 PolarHBondContact O-N 3.48Å; T836-H839 PolarHBondContact O-N 2.83Å; T836-R840 VanDerWaalsContact O-CB 3.26Å; T836-R840 WeakPolarHBondContact O-CB 3.47Å; T836-R840 PolarHBondContact O-N 2.89Å
837I94.1Very high83.2Confident79 Ų79104.2 Ų104.241%0.40554%0.544SS..Hα-helixtrans-60.8-46.6174-68.9165.9000110.1D833 H839 R840 S841D833-I837 WeakPolarHBondContact O-CB 3.17Å; D833-I837 VanDerWaalsContact O-CG1 3.27Å; D833-I837 WeakPolarHBondContact O-CG1 3.05Å; D833-I837 PolarHBondContact O-N 3.24Å; D833-I837 WeakPolarHBondContact OD2-CD1 3.42Å; I837-H839 PolarHBondContact O-N 3.38Å; I837-R840 PolarHBondContact O-N 3.02Å; I837-S841 WeakPolarHBondContact O-CB 3.34Å; I837-S841 PolarHBondContact O-N 3.47Å
838I94Very high84.5Confident94 Ų94108.6 Ų108.648%0.48255%0.549SS..Hα-helixtrans-62.6-43176.8-70.8165.3000110.7L834 F835 S841 K842L834-I838 VanDerWaalsContact O-CB 3.28Å; L834-I838 WeakPolarHBondContact O-CB 3.38Å; L834-I838 WeakPolarHBondContact O-CD1 3.46Å; L834-I838 WeakPolarHBondContact O-CG1 3.25Å; L834-I838 PolarHBondContact O-N 2.69Å; F835-I838 PolarHBondContact O-N 3.43Å; I838-S841 PolarHBondContact O-N 3.08Å; I838-K842 WeakPolarHBondContact O-CB 3.36Å; I838-K842 PolarHBondContact O-N 3.5Å
839H93Very high84.9Confident102 Ų102110.4 Ų110.447%0.47255%0.546SS..Hα-helixtrans-68.7-39.6178.5-86.1-153.8000112.6F835 T836 I837 R843F835-H839 VanDerWaalsContact O-CB 3.24Å; F835-H839 WeakPolarHBondContact O-CB 3.46Å; F835-H839 PolarHBondContact O-N 3.3Å; T836-H839 PolarHBondContact O-N 2.83Å; I837-H839 PolarHBondContact O-N 3.38Å; H839-R843 VanDerWaalsContact O-CB 3.27Å; H839-R843 WeakPolarHBondContact O-CB 3.44Å; H839-R843 PolarHBondContact O-N 3.15Å
840R90.8Very high84.4Confident177 Ų177108 Ų10867%0.66854%0.535SS*.Hα-helixtrans-64.3-46.2173.2-172.3-179.8-177.6-147.73.6111.1T836 I837 R843 K844T836-R840 VanDerWaalsContact O-CB 3.26Å; T836-R840 WeakPolarHBondContact O-CB 3.47Å; T836-R840 PolarHBondContact O-N 2.89Å; I837-R840 PolarHBondContact O-N 3.02Å; R840-R843 PolarHBondContact O-N 3.12Å; R840-K844 WeakPolarHBondContact O-CG 3.28Å; R840-K844 PolarHBondContact O-N 2.89Å; R840-K844 VanDerWaalsContact O-N 3.07Å
841S89.8Confident82.7Confident63 Ų63110.3 Ų110.344%0.44155%0.552SS.*Hα-helixtrans-62.2-52.1177-176.50000111.7I837 I838 R843 K844 V845I837-S841 WeakPolarHBondContact O-CB 3.34Å; I837-S841 PolarHBondContact O-N 3.47Å; I838-S841 PolarHBondContact O-N 3.08Å; S841-R843 VanDerWaalsContact C-N 3.26Å; S841-R843 PolarHBondContact O-N 2.91Å; S841-K844 PolarHBondContact O-N 3.47Å; S841-K844 VanDerWaalsContact O-N 3.1Å; S841-V845 WeakPolarHBondContact O-CB 3.24Å; S841-V845 WeakPolarHBondContact O-CG2 3.26Å; S841-V845 PolarHBondContact O-N 2.78Å
842K91.7Very high81Confident117 Ų117109.6 Ų109.651%0.50955%0.551SS.*Hα-helixtrans-54.5-39.1175179.6178.2177.5-177.70112.4I838 L846I838-K842 WeakPolarHBondContact O-CB 3.36Å; I838-K842 PolarHBondContact O-N 3.5Å; K842-L846 HydrophobicContact CG-CD1 3.9Å; K842-L846 VanDerWaalsContact O-CB 3.26Å; K842-L846 WeakPolarHBondContact O-CB 3.34Å; K842-L846 VanDerWaalsContact O-CG 3.22Å; K842-L846 WeakPolarHBondContact O-CG 3.5Å; K842-L846 PolarHBondContact O-N 2.94Å
843R80.8Confident79.1Confident118 Ų118109 Ų10945%0.44555%0.552SS.*Hα-helixtrans-66.5-45.2176.7-161.4-179.1-51.6-165.511.2112H839 R840 S841 R848 E850H839-R843 VanDerWaalsContact O-CB 3.27Å; H839-R843 WeakPolarHBondContact O-CB 3.44Å; H839-R843 PolarHBondContact O-N 3.15Å; R840-R843 PolarHBondContact O-N 3.12Å; S841-R843 VanDerWaalsContact C-N 3.26Å; S841-R843 PolarHBondContact O-N 2.91Å; R843-R848 PolarHBondContact O-N 3.11Å; R843-E850 VanDerWaalsContact CD-OE1 3.23Å; R843-E850 WeakPolarHBondContact CD-OE1 3.13Å; R843-E850 IonicContact CZ-OE1 1.84Å; R843-E850 IonicContact NE-OE1 3.55Å; R843-E850 IonicContact NH1-OE1 3.78Å; R843-E850 PolarHBondContact NH1-OE1 3.45Å
844K81.3Confident76.9Confident159 Ų159110 Ų11069%0.69156%0.563SS**Hα-helixtrans-62.9-50.7174.6-69.8175.668.1175.50111.8R840 S841 L846 G847R840-K844 WeakPolarHBondContact O-CG 3.28Å; R840-K844 PolarHBondContact O-N 2.89Å; R840-K844 VanDerWaalsContact O-N 3.07Å; S841-K844 PolarHBondContact O-N 3.47Å; S841-K844 VanDerWaalsContact O-N 3.1Å; K844-L846 PolarHBondContact O-N 3.31Å; K844-G847 PolarHBondContact O-N 3.45Å; K844-G847 VanDerWaalsContact O-N 3.07Å
845V82.9Confident74.5Confident118 Ų118116.1 Ų116.172%0.71559%0.587SS**Hα-helixtrans-64.2-35.8-178.1172.40000112.5S841 G847S841-V845 WeakPolarHBondContact O-CB 3.24Å; S841-V845 WeakPolarHBondContact O-CG2 3.26Å; S841-V845 PolarHBondContact O-N 2.78Å; V845-G847 PolarHBondContact O-N 2.81Å
846L81.4Confident71.9Confident115 Ų115113.3 Ų113.360%0.60259%0.592SS**THydrogen-bonded Turntrans-783.4175.7-69.4173.3000114K842 K844 R848K842-L846 HydrophobicContact CG-CD1 3.9Å; K842-L846 VanDerWaalsContact O-CB 3.26Å; K842-L846 WeakPolarHBondContact O-CB 3.34Å; K842-L846 VanDerWaalsContact O-CG 3.22Å; K842-L846 WeakPolarHBondContact O-CG 3.5Å; K842-L846 PolarHBondContact O-N 2.94Å; K844-L846 PolarHBondContact O-N 3.31Å; L846-R848 HydrophobicContact CB-CG 4.48Å; L846-R848 PolarHBondContact O-N 3.49Å
847G72.6Confident69.6Low62 Ų62115.5 Ų115.564%0.63961%0.61SS**THydrogen-bonded Turntrans61.517.2177.800000114.4K844 V845 K849K844-G847 PolarHBondContact O-N 3.45Å; K844-G847 VanDerWaalsContact O-N 3.07Å; V845-G847 PolarHBondContact O-N 2.81Å; G847-K849 VanDerWaalsContact C-N 3.29Å; G847-K849 PolarHBondContact O-N 2.82Å
848R69.9Low67Low194 Ų194123.1 Ų123.173%0.73263%0.634SS**  trans-78.783.3178.5-75-168.1173.1-155.4-1.2108.9R843 L846 E850R843-R848 PolarHBondContact O-N 3.11Å; L846-R848 HydrophobicContact CB-CG 4.48Å; L846-R848 PolarHBondContact O-N 3.49Å; R848-E850 PolarHBondContact O-N 3.41Å
849K56.7Low64.3Low168 Ų168128.5 Ų128.573%0.7366%0.657SS**  trans-52.3118.5174.3-178.6174.4-179.5177.50109.8G847G847-K849 VanDerWaalsContact C-N 3.29Å; G847-K849 PolarHBondContact O-N 2.82Å
850E57.9Low61.4Low65 Ų65128.8 Ų128.830%0.30467%0.67SS.*  trans-64.5136.7171.8-85.5-61.415000110.5R843 R848 S852 D853R843-E850 VanDerWaalsContact CD-OE1 3.23Å; R843-E850 WeakPolarHBondContact CD-OE1 3.13Å; R843-E850 IonicContact CZ-OE1 1.84Å; R843-E850 IonicContact NE-OE1 3.55Å; R843-E850 IonicContact NH1-OE1 3.78Å; R843-E850 PolarHBondContact NH1-OE1 3.45Å; R848-E850 PolarHBondContact O-N 3.41Å; E850-S852 PolarHBondContact O-N 2.87Å; E850-S852 VanDerWaalsContact O-N 3.16Å; E850-D853 HydrophobicContact CB-CB 3.88Å; E850-D853 PolarHBondContact O-N 3.26Å
851P48.7Very low58.9Low131 Ų131127.7 Ų127.785%0.85168%0.677SS**SBendtrans-61.8-18.5176-24.936000114.4
852S50.9Low56.2Low90 Ų90131 Ų13163%0.62969%0.694SS**SBendtrans-99.3-21.4-177.349.80000114.8E850 S854E850-S852 PolarHBondContact O-N 2.87Å; E850-S852 VanDerWaalsContact O-N 3.16Å; S852-S854 PolarHBondContact O-N 2.93Å
853D48.7Very low53.3Low108 Ų108130.6 Ų130.658%0.57871%0.706SS**THydrogen-bonded Turntrans-84.662.8-169.1-161.412.4000112.4E850E850-D853 HydrophobicContact CB-CB 3.88Å; E850-D853 PolarHBondContact O-N 3.26Å
854S45.6Very low51.1Low79 Ų79130.9 Ų130.955%0.55272%0.723SS**THydrogen-bonded Turntrans-119.86165.6-61.80000112.5S852S852-S854 PolarHBondContact O-N 2.93Å
855F45.9Very low48.6Very low208 Ų208128.8 Ų128.891%0.91272%0.724SS**SBendtrans-140.663176.8-64.8-75.6000110.3
856G39.9Very low46.2Very low62 Ų62131.9 Ų131.964%0.63973%0.727SS**  trans-127.919.7-167.100000116.8
857S44.3Very low43.8Very low117 Ų117134.8 Ų134.882%0.81874%0.737SS**SBendtrans-136.636-176-1680000114.9
858R40.1Very low41.7Very low239 Ų239137.3 Ų137.390%0.90275%0.745SS**  trans-143.6110.7158.1-80-166.1167.2-115-8.7109.2S860R858-S860 VanDerWaalsContact C-N 3.28Å; R858-S860 PolarHBondContact O-N 2.87Å
859Q37.9Very low39.8Very low207 Ų207132.4 Ų132.497%0.96775%0.747SS**  trans-76.287.4163.2-75.8172.6-38.700107.8
860S31.8Very low38.5Very low107 Ų107131.9 Ų131.975%0.74875%0.75SS**  trans-97.8106.2163.2-167.80000106.9R858R858-S860 VanDerWaalsContact C-N 3.28Å; R858-S860 PolarHBondContact O-N 2.87Å
861L38.8Very low37.2Very low154 Ų154134.9 Ų134.981%0.80677%0.773SS**  trans-71.4179.2162.1-64.3177.3000109.4
862V32.2Very low36.3Very low134 Ų134134.1 Ų134.181%0.81277%0.77SS**  trans68.482.8-172.1-167.60000114
863S30.5Very low35.4Very low107 Ų107136.7 Ų136.775%0.74878%0.777SS**PPolyproline II helixtrans-88.7129.1143.451.10000108.4V865S863-V865 PolarHBondContact O-N 2.84Å
864P35Very low34.7Very low124 Ų124139.8 Ų139.881%0.80579%0.788SS**PPolyproline II helixtrans-68129.8-170.6-24.234.7000114.6
865V28.5Very low34.2Very low116 Ų116146.4 Ų146.470%0.70380%0.8SS**PPolyproline II helixtrans-86.5130.8169.2176.20000109.8S863 H867S863-V865 PolarHBondContact O-N 2.84Å; V865-H867 PolarHBondContact O-N 3.29Å
866K32Very low33.5Very low183 Ų183143.4 Ų143.480%0.79679%0.794SS**PPolyproline II helixtrans-73.4122.1179.2-69.8179.9176.3179.80112.2
867H31.3Very low33.3Very low175 Ų175147.9 Ų147.981%0.8180%0.802SS**PPolyproline II helixtrans-97.7165.9149.1-80-123.8000109.4V865V865-H867 PolarHBondContact O-N 3.29Å
868S28.7Very low32.6Very low115 Ų115148.4 Ų148.480%0.80480%0.801SS**  trans-149.7101.1-169.8-59.40000113.5
869A30Very low32.4Very low92 Ų92145.1 Ų145.176%0.7680%0.8SS**  trans-173.2146.5162.500000106
870I29.9Very low32.1Very low156 Ų156138.6 Ų138.680%0.879%0.788SS**  cis-154.9146.2-7.4-116162.5000106.7
871V30.3Very low32.2Very low129 Ų129139.4 Ų139.478%0.78279%0.794SS**  trans40.8113.2161.8-1780000117.7
872S30.9Very low32Very low114 Ų114137 Ų13780%0.79779%0.79SS**  -163.6154.987.2-63.50000113.1
873D30.4Very low32.3Very low144 Ų144138.9 Ų138.977%0.7779%0.79SS**  trans-71.2151.8175.5-78.5-71.8000114.6
874H34.7Very low33.3Very low174 Ų174145.9 Ų145.981%0.80680%0.8SS**  -17296.5129.7-91.4-13.9000114.1
875R34.7Very low33.7Very low218 Ų218144.2 Ų144.282%0.82379%0.791SS**  trans38.1135.4141.571.7-171.3-176.6175.41122.8
876N31.1Very low34.8Very low145 Ų145142.9 Ų142.978%0.77579%0.787SS**  trans64.4125.6149.3-105.52.5000118.1
877L36.8Very low36.4Very low156 Ų156136.6 Ų136.682%0.81777%0.766SS**  -153.4150.750.7-84.3168.8000113.3
878T30.1Very low38.1Very low127 Ų127139.7 Ų139.778%0.77977%0.77SS**  trans-95.8130168.9-59.30000110.6
879L34.6Very low40.3Very low171 Ų171139.3 Ų139.390%0.89576%0.76SS**  trans-169129.1147-109.9156.8000110.6
880G32.2Very low42.9Very low69 Ų69139.9 Ų139.971%0.71175%0.746SS**  trans-109.1142.3165.800000109.8
881S33.5Very low45.4Very low124 Ų124137.5 Ų137.587%0.86774%0.735SS**  trans-145.4153.9165.563.60000110.6
882S35Very low47.9Very low104 Ų104137 Ų13773%0.72772%0.723SS**  trans-93.2146.1177-176.20000109.7
883Q37.3Very low50.5Low173 Ų173135.5 Ų135.581%0.80870%0.704SS**  172.7141.2110.9-91.2-176.2-92.700112.6S885Q883-S885 PolarHBondContact O-N 3.15Å
884R51.4Low52.8Low255 Ų255131 Ų13196%0.96269%0.687SS**  trans-79.392.3165.9-80.8176.2161.2165.8-6.1110.2
885S43.8Very low55Low89 Ų89128.3 Ų128.362%0.62268%0.678SS**  trans-149.147.9167.4-73.30000112.8Q883 S887Q883-S885 PolarHBondContact O-N 3.15Å; S885-S887 PolarHBondContact O-N 2.89Å
886S51.2Low57.2Low88 Ų88121.8 Ų121.862%0.61566%0.659SS**  trans-67.9102.9172.8-175.80000109.9
887S65.6Low59.2Low50 Ų50121.5 Ų121.535%0.3565%0.653SS.*  trans-68.8153.7169.273.20000110.1S885 N889 E890 N891S885-S887 PolarHBondContact O-N 2.89Å; S887-N889 PolarHBondContact O-N 3.04Å; S887-N889 VanDerWaalsContact O-N 3.14Å; S887-E890 WeakPolarHBondContact CA-OE2 3.1Å; S887-E890 WeakPolarHBondContact CB-OE2 2.95Å; S887-E890 PolarHBondContact N-OE2 3.42Å; S887-E890 PolarHBondContact O-N 3.37Å; S887-E890 WeakPolarHBondContact OG-CG 3.46Å; S887-E890 PolarHBondContact OG-N 2.76Å; S887-E890 PolarHBondContact OG-OE2 3.21Å; S887-N891 PolarHBondContact O-N 2.94Å
888R67.2Low60.7Low240 Ų240122.5 Ų122.591%0.90665%0.651SS**Hα-helixtrans-59.4-25.5174.9-168.8174.9-177.4173.70.5112.2F892R888-F892 PolarHBondContact O-N 3.12Å
889N74.8Confident61.9Low108 Ų108124.9 Ų124.958%0.57865%0.65SS**Hα-helixtrans-70.3-50.5176.7-175.349.1000112.1S887 N891 F892 M893S887-N889 PolarHBondContact O-N 3.04Å; S887-N889 VanDerWaalsContact O-N 3.14Å; N889-N891 VanDerWaalsContact C-N 3.27Å; N889-N891 PolarHBondContact O-N 3.05Å; N889-F892 WeakPolarHBondContact O-CB 3.4Å; N889-F892 PolarHBondContact O-N 3.39Å; N889-F892 VanDerWaalsContact O-N 3.08Å; N889-M893 WeakPolarHBondContact O-CG 3.41Å; N889-M893 PolarHBondContact O-N 3.06Å
890E85.7Confident63Low103 Ų103119.7 Ų119.748%0.48164%0.638SS.*Hα-helixtrans-61.4-36.7179.9-69.7154.8113.700112.1S887 F892 M893 A894S887-E890 WeakPolarHBondContact CA-OE2 3.1Å; S887-E890 WeakPolarHBondContact CB-OE2 2.95Å; S887-E890 PolarHBondContact N-OE2 3.42Å; S887-E890 PolarHBondContact O-N 3.37Å; S887-E890 WeakPolarHBondContact OG-CG 3.46Å; S887-E890 PolarHBondContact OG-N 2.76Å; S887-E890 PolarHBondContact OG-OE2 3.21Å; E890-F892 VanDerWaalsContact C-N 3.32Å; E890-F892 PolarHBondContact O-N 3.14Å; E890-M893 PolarHBondContact O-N 2.93Å; E890-A894 VanDerWaalsContact O-CB 3.25Å; E890-A894 WeakPolarHBondContact O-CB 3.5Å; E890-A894 PolarHBondContact O-N 2.81Å
891N81.9Confident63.6Low106 Ų106121.3 Ų121.357%0.56764%0.639SS**Hα-helixtrans-65.5-37176.7-144.5-74.6000111.8S887 N889 L895S887-N891 PolarHBondContact O-N 2.94Å; N889-N891 VanDerWaalsContact C-N 3.27Å; N889-N891 PolarHBondContact O-N 3.05Å; N891-L895 WeakPolarHBondContact O-CB 3.27Å; N891-L895 PolarHBondContact O-N 3.05Å
892F82.2Confident64.5Low119 Ų119125.6 Ų125.652%0.52264%0.642SS.*Hα-helixtrans-69.7-43.5173.8-179.2-109.3000112.2R888 N889 E890 A894 L895 L896R888-F892 PolarHBondContact O-N 3.12Å; N889-F892 WeakPolarHBondContact O-CB 3.4Å; N889-F892 PolarHBondContact O-N 3.39Å; N889-F892 VanDerWaalsContact O-N 3.08Å; E890-F892 VanDerWaalsContact C-N 3.32Å; E890-F892 PolarHBondContact O-N 3.14Å; F892-A894 PolarHBondContact O-N 2.85Å; F892-L895 WeakPolarHBondContact O-CB 3.5Å; F892-L895 PolarHBondContact O-N 2.84Å; F892-L895 VanDerWaalsContact O-N 3.15Å; F892-L896 HydrophobicContact CD1-CD1 4.05Å; F892-L896 HydrophobicContact CE1-CD1 3.63Å; F892-L896 HydrophobicContact CE1-CG 4.29Å; F892-L896 HydrophobicContact CZ-CD1 4.03Å; F892-L896 HydrophobicContact CZ-CD2 4.39Å; F892-L896 HydrophobicContact CZ-CG 4.31Å; F892-L896 WeakPolarHBondContact O-CG 3.28Å; F892-L896 PolarHBondContact O-N 2.75Å
893M85.6Confident64.9Low83 Ų83125.8 Ų125.841%0.40964%0.643SS.*Hα-helixtrans-62.8-42175.4-68.2-58.9-67.800112N889 E890 L895 L896 Q897N889-M893 WeakPolarHBondContact O-CG 3.41Å; N889-M893 PolarHBondContact O-N 3.06Å; E890-M893 PolarHBondContact O-N 2.93Å; M893-L895 VanDerWaalsContact C-N 3.31Å; M893-L895 PolarHBondContact O-N 3.23Å; M893-L896 PolarHBondContact O-N 3.07Å; M893-L896 HydrophobicContact SD-CD1 4.17Å; M893-Q897 WeakPolarHBondContact O-CB 3.2Å; M893-Q897 WeakPolarHBondContact O-CG 3.37Å; M893-Q897 PolarHBondContact O-N 2.79Å
894A79.1Confident65.6Low49 Ų49123.6 Ų123.641%0.40565%0.647SS.*Hα-helixtrans-62.7-3717300000112E890 F892 K898E890-A894 VanDerWaalsContact O-CB 3.25Å; E890-A894 WeakPolarHBondContact O-CB 3.5Å; E890-A894 PolarHBondContact O-N 2.81Å; F892-A894 PolarHBondContact O-N 2.85Å; A894-K898 WeakPolarHBondContact O-CB 3.47Å; A894-K898 PolarHBondContact O-N 3.03Å
895L81.4Confident65.3Low117 Ų117116.8 Ų116.861%0.61364%0.639SS**Hα-helixtrans-68-35.8175.4-171.567.7000112.6N891 F892 M893N891-L895 WeakPolarHBondContact O-CB 3.27Å; N891-L895 PolarHBondContact O-N 3.05Å; F892-L895 WeakPolarHBondContact O-CB 3.5Å; F892-L895 PolarHBondContact O-N 2.84Å; F892-L895 VanDerWaalsContact O-N 3.15Å; M893-L895 VanDerWaalsContact C-N 3.31Å; M893-L895 PolarHBondContact O-N 3.23Å
896L80.6Confident65.7Low81 Ų81116.7 Ų116.742%0.42465%0.652SS.*Hα-helixtrans-66.5-50.2172.6-70.3174.9000111.3F892 M893 K898 K899F892-L896 HydrophobicContact CD1-CD1 4.05Å; F892-L896 HydrophobicContact CE1-CD1 3.63Å; F892-L896 HydrophobicContact CE1-CG 4.29Å; F892-L896 HydrophobicContact CZ-CD1 4.03Å; F892-L896 HydrophobicContact CZ-CD2 4.39Å; F892-L896 HydrophobicContact CZ-CG 4.31Å; F892-L896 WeakPolarHBondContact O-CG 3.28Å; F892-L896 PolarHBondContact O-N 2.75Å; M893-L896 PolarHBondContact O-N 3.07Å; M893-L896 HydrophobicContact SD-CD1 4.17Å; L896-K898 VanDerWaalsContact C-N 3.3Å; L896-K898 PolarHBondContact O-N 3.12Å; L896-K899 WeakPolarHBondContact O-CB 3.46Å; L896-K899 PolarHBondContact O-N 3.42Å
897Q73.6Confident65.5Low139 Ų139115.4 Ų115.465%0.6565%0.652SS**Hα-helixtrans-61.6-37.6178.1-70.6170.3-9.900112M893 K899 G900M893-Q897 WeakPolarHBondContact O-CB 3.2Å; M893-Q897 WeakPolarHBondContact O-CG 3.37Å; M893-Q897 PolarHBondContact O-N 2.79Å; Q897-K899 PolarHBondContact O-N 3.47Å; Q897-G900 PolarHBondContact O-N 3.06Å; Q897-G900 VanDerWaalsContact O-N 3.14Å
898K67.5Low65Low178 Ų178118.1 Ų118.177%0.77468%0.678SS**THydrogen-bonded Turntrans-67.5-1.3175.4-169.1162.4-177.7171.90114.1A894 L896A894-K898 WeakPolarHBondContact O-CB 3.47Å; A894-K898 PolarHBondContact O-N 3.03Å; L896-K898 VanDerWaalsContact C-N 3.3Å; L896-K898 PolarHBondContact O-N 3.12Å
899K55.9Low64.7Low176 Ų176118 Ų11877%0.76568%0.677SS**THydrogen-bonded Turntrans-101.516.4171.9-156.5162.559.7-179.50113.8L896 Q897L896-K899 WeakPolarHBondContact O-CB 3.46Å; L896-K899 PolarHBondContact O-N 3.42Å; Q897-K899 PolarHBondContact O-N 3.47Å
900G57Low64.1Low63 Ų63116.8 Ų116.865%0.64967%0.674SS**THydrogen-bonded Turntrans-103.2-38.7171.300000115.3Q897 K902Q897-G900 PolarHBondContact O-N 3.06Å; Q897-G900 VanDerWaalsContact O-N 3.14Å; G900-K902 PolarHBondContact O-N 3Å
901S45.3Very low63.5Low103 Ų103115.1 Ų115.172%0.7267%0.673SS**  trans-87.194.6-165.9-51.60000114.1S903S901-S903 VanDerWaalsContact C-N 3.27Å; S901-S903 PolarHBondContact O-N 3.25Å
902K51.6Low63Low213 Ų213113.5 Ų113.593%0.92667%0.674SS**  trans-74.176.5160.4-76.1-175.1177.4178.40110.6G900 S904G900-K902 PolarHBondContact O-N 3Å; K902-S904 PolarHBondContact O-N 2.78Å; K902-S904 VanDerWaalsContact O-N 3.12Å
903S44Very low62.6Low108 Ų108113.8 Ų113.876%0.75568%0.679SS**  trans-71.3101.4167520000109.7S901 S905S901-S903 VanDerWaalsContact C-N 3.27Å; S901-S903 PolarHBondContact O-N 3.25Å; S903-S905 PolarHBondContact O-N 3.42Å
904S51.6Low61.9Low128 Ų128114.8 Ų114.890%0.89568%0.683SS**  trans-72.9116.7171.9-169.70000109.6K902K902-S904 PolarHBondContact O-N 2.78Å; K902-S904 VanDerWaalsContact O-N 3.12Å
905S46.3Very low61.9Low112 Ų112117 Ų11778%0.78369%0.687SS**  trans-160.8135.1170.3-170.60000111S903S903-S905 PolarHBondContact O-N 3.42Å
906G51.4Low61.6Low87 Ų87117.2 Ų117.290%0.89769%0.688SS**SBendtrans36.581.1159.500000118
907G47.1Very low60.9Low61 Ų61120.4 Ų120.463%0.62970%0.699SS**  trans173.390.1168.200000113.3R909G907-R909 PolarHBondContact O-N 3.3Å
908A54.9Low60.2Low107 Ų107116.1 Ų116.188%0.88468%0.684SS**  trans-65.198.517000000109.1V910A908-V910 PolarHBondContact O-N 3.39Å
909R60.5Low60Low236 Ų236112.2 Ų112.289%0.89168%0.675SS**  trans-81.2104.9172.8-58.6179.8-163.8-176.84.5106.4G907 S911G907-R909 PolarHBondContact O-N 3.3Å; R909-S911 PolarHBondContact O-N 3.02Å
910V63.5Low60.3Low84 Ų84107.6 Ų107.651%0.50966%0.659SS.*  trans-43.1125.3174.5-72.80000109.7A908 E914 L915A908-V910 PolarHBondContact O-N 3.39Å; V910-E914 VanDerWaalsContact CA-OE2 3.24Å; V910-E914 WeakPolarHBondContact CA-OE2 3.48Å; V910-L915 HydrophobicContact CG2-CD1 4.29Å; V910-L915 HydrophobicContact CG2-CD2 3.86Å; V910-L915 HydrophobicContact CG2-CG 4.05Å
911S72.5Confident60.6Low68 Ų68109.2 Ų109.248%0.47666%0.658SS.*  trans-68153-167.6-171.20000110.2R909 M913 E914 L915R909-S911 PolarHBondContact O-N 3.02Å; S911-M913 PolarHBondContact O-N 3.44Å; S911-M913 VanDerWaalsContact O-N 3.11Å; S911-E914 PolarHBondContact N-OE2 3.4Å; S911-E914 WeakPolarHBondContact O-CA 3.31Å; S911-E914 WeakPolarHBondContact O-CB 3.46Å; S911-E914 PolarHBondContact O-N 3.04Å; S911-L915 PolarHBondContact O-N 3.06Å; S911-L915 VanDerWaalsContact O-N 3.09Å
912A70.7Confident61.2Low71 Ų71109.7 Ų109.759%0.58765%0.652SS**Hα-helixtrans-56.7-32.9176.300000111.6E914 L916A912-E914 VanDerWaalsContact C-N 3.31Å; A912-E914 PolarHBondContact O-N 3.22Å; A912-L916 WeakPolarHBondContact O-CB 3.21Å; A912-L916 WeakPolarHBondContact O-CD1 3.24Å; A912-L916 WeakPolarHBondContact O-CG 3.44Å; A912-L916 PolarHBondContact O-N 2.89Å
913M74.1Confident61.5Low125 Ų125101.3 Ų101.362%0.61662%0.623SS**Hα-helixtrans-66.9-28173.6-169.960.465.500113.7S911 K917S911-M913 PolarHBondContact O-N 3.44Å; S911-M913 VanDerWaalsContact O-N 3.11Å; M913-K917 WeakPolarHBondContact O-CG 3.33Å; M913-K917 PolarHBondContact O-N 3.46Å; M913-K917 VanDerWaalsContact O-N 3.08Å
914E70.9Confident62.1Low104 Ų104103 Ų10349%0.48661%0.612SS.*Hα-helixtrans-82.3-40-176.7-164.7176.6178.600110.9V910 S911 A912 L916 K917 S918V910-E914 VanDerWaalsContact CA-OE2 3.24Å; V910-E914 WeakPolarHBondContact CA-OE2 3.48Å; S911-E914 PolarHBondContact N-OE2 3.4Å; S911-E914 WeakPolarHBondContact O-CA 3.31Å; S911-E914 WeakPolarHBondContact O-CB 3.46Å; S911-E914 PolarHBondContact O-N 3.04Å; A912-E914 VanDerWaalsContact C-N 3.31Å; A912-E914 PolarHBondContact O-N 3.22Å; E914-L916 VanDerWaalsContact C-N 3.34Å; E914-K917 PolarHBondContact O-N 3.34Å; E914-S918 PolarHBondContact O-N 2.99Å; E914-S918 PolarHBondContact O-OG 3.09Å
915L79.3Confident62.4Low96 Ų96104.5 Ų104.550%0.50360%0.599SS.*Hα-helixtrans-63-39.8166.9-66174.2000111.5V910 S911 K917 S918 T919V910-L915 HydrophobicContact CG2-CD1 4.29Å; V910-L915 HydrophobicContact CG2-CD2 3.86Å; V910-L915 HydrophobicContact CG2-CG 4.05Å; S911-L915 PolarHBondContact O-N 3.06Å; S911-L915 VanDerWaalsContact O-N 3.09Å; L915-K917 VanDerWaalsContact C-N 3.3Å; L915-K917 PolarHBondContact O-N 3.31Å; L915-S918 WeakPolarHBondContact CA-OG 3.07Å; L915-S918 PolarHBondContact O-N 3.44Å; L915-S918 PolarHBondContact O-OG 2.84Å; L915-T919 WeakPolarHBondContact O-CB 3.46Å; L915-T919 PolarHBondContact O-N 3.11Å
916L76.3Confident62.8Low122 Ų122104 Ų10464%0.63959%0.59SS**Hα-helixtrans-73.1-18.1177-73170.4000113.9A912 E914A912-L916 WeakPolarHBondContact O-CB 3.21Å; A912-L916 WeakPolarHBondContact O-CD1 3.24Å; A912-L916 WeakPolarHBondContact O-CG 3.44Å; A912-L916 PolarHBondContact O-N 2.89Å; E914-L916 VanDerWaalsContact C-N 3.34Å
917K65.6Low62.8Low147 Ų147104.4 Ų104.464%0.63958%0.575SS**Hα-helixtrans-82.7-45.1168.8-77.5175.7175.2-168.40112M913 E914 L915 T919 N920M913-K917 WeakPolarHBondContact O-CG 3.33Å; M913-K917 PolarHBondContact O-N 3.46Å; M913-K917 VanDerWaalsContact O-N 3.08Å; E914-K917 PolarHBondContact O-N 3.34Å; L915-K917 VanDerWaalsContact C-N 3.3Å; L915-K917 PolarHBondContact O-N 3.31Å; K917-T919 VanDerWaalsContact C-N 3.31Å; K917-T919 PolarHBondContact O-N 2.79Å; K917-N920 PolarHBondContact O-N 3.2Å
918S57.2Low62.9Low49 Ų49106.6 Ų106.634%0.34357%0.57SS.*Hα-helixtrans-73.6-17.5-177.652.20000114.3E914 L915 N920 R924E914-S918 PolarHBondContact O-N 2.99Å; E914-S918 PolarHBondContact O-OG 3.09Å; L915-S918 WeakPolarHBondContact CA-OG 3.07Å; L915-S918 PolarHBondContact O-N 3.44Å; L915-S918 PolarHBondContact O-OG 2.84Å; S918-N920 VanDerWaalsContact C-N 3.25Å; S918-N920 PolarHBondContact O-N 3.31Å; S918-R924 PolarHBondContact O-NH1 2.85Å
919T63.6Low62.6Low96 Ų96108.8 Ų108.859%0.58956%0.559SS**THydrogen-bonded Turntrans-74.7-5.3172.5-1660000114.7L915 K917 P921L915-T919 WeakPolarHBondContact O-CB 3.46Å; L915-T919 PolarHBondContact O-N 3.11Å; K917-T919 VanDerWaalsContact C-N 3.31Å; K917-T919 PolarHBondContact O-N 2.79Å; T919-P921 WeakPolarHBondContact O-CD 3.5Å
920N63.1Low62Low79 Ų79101.7 Ų101.742%0.42255%0.546SS..  trans-85.1115.4172-176.2-15.3000109.9K917 S918 L922 A923 R924K917-N920 PolarHBondContact O-N 3.2Å; S918-N920 VanDerWaalsContact C-N 3.25Å; S918-N920 PolarHBondContact O-N 3.31Å; N920-L922 PolarHBondContact O-N 2.97Å; N920-L922 PolarHBondContact OD1-N 3.48Å; N920-A923 HydrophobicContact CB-CB 4.02Å; N920-A923 PolarHBondContact O-N 3.08Å; N920-R924 PolarHBondContact O-N 2.71Å
921P62.4Low61.1Low97 Ų97104.3 Ų104.363%0.6356%0.557SS**Hα-helixtrans-66.5-20-17728-35.7000113.7T919T919-P921 WeakPolarHBondContact O-CD 3.5Å
922L58.6Low59.5Low113 Ų113104 Ų10459%0.59256%0.559SS**Hα-helixtrans-78.4-26.5172.8-70.3168.3000112.7N920N920-L922 PolarHBondContact O-N 2.97Å; N920-L922 PolarHBondContact OD1-N 3.48Å
923A57.1Low58.1Low38 Ų38107.8 Ų107.831%0.31457%0.569SS.*Hα-helixtrans-75.9-39.918000000112.3N920 R925 V926 T927N920-A923 HydrophobicContact CB-CB 4.02Å; N920-A923 PolarHBondContact O-N 3.08Å; A923-R925 VanDerWaalsContact C-N 3.32Å; A923-R925 PolarHBondContact O-N 3.08Å; A923-V926 PolarHBondContact O-N 3.45Å; A923-T927 PolarHBondContact O-N 3.37Å; A923-T927 PolarHBondContact O-OG1 3.29Å
924R57.8Low56.6Low142 Ų142106 Ų10654%0.53658%0.575SS.*Hα-helixtrans-52.7-49.3177-79.2177133.6120.6-14111.9S918 N920 V926 T927 E928S918-R924 PolarHBondContact O-NH1 2.85Å; N920-R924 PolarHBondContact O-N 2.71Å; R924-V926 PolarHBondContact O-N 3.23Å; R924-T927 PolarHBondContact O-N 3.05Å; R924-T927 VanDerWaalsContact O-N 3.08Å; R924-T927 PolarHBondContact O-OG1 3.07Å; R924-E928 WeakPolarHBondContact O-CG 3.38Å; R924-E928 PolarHBondContact O-N 3.04Å
925R57.4Low55Low161 Ų161106.3 Ų106.361%0.60859%0.588SS**Hα-helixtrans-64.2-6178.1-63-158-62.1148.10.3116.1A923 E928 F929A923-R925 VanDerWaalsContact C-N 3.32Å; A923-R925 PolarHBondContact O-N 3.08Å; R925-E928 WeakPolarHBondContact CA-OE1 3.41Å; R925-F929 WeakPolarHBondContact O-CD2 3.41Å
926V54Low53.2Low100 Ų100106.3 Ų106.361%0.60660%0.602SS**Hα-helixtrans-100.4-39.8170.8-178.60000110.4A923 R924A923-V926 PolarHBondContact O-N 3.45Å; R924-V926 PolarHBondContact O-N 3.23Å
927T52.5Low51.5Low96 Ų96103.9 Ų103.959%0.58961%0.606SS**Hα-helixtrans-68.2-32.4178.641.60000114.2A923 R924A923-T927 PolarHBondContact O-N 3.37Å; A923-T927 PolarHBondContact O-OG1 3.29Å; R924-T927 PolarHBondContact O-N 3.05Å; R924-T927 VanDerWaalsContact O-N 3.08Å; R924-T927 PolarHBondContact O-OG1 3.07Å
928E48.7Very low49.9Very low108 Ų108106.9 Ų106.951%0.50562%0.622SS.*Hα-helixtrans-71.4-31.8-176.561.9-154.7-158.600113.6R924 R925R924-E928 WeakPolarHBondContact O-CG 3.38Å; R924-E928 PolarHBondContact O-N 3.04Å; R925-E928 WeakPolarHBondContact CA-OE1 3.41Å
929F48.6Very low48.9Very low152 Ų152108.5 Ų108.567%0.66765%0.647SS**Hα-helixtrans-82.6-29.4176.9-69-74.3000114.3R925 N931R925-F929 WeakPolarHBondContact O-CD2 3.41Å; F929-N931 VanDerWaalsContact C-N 3.32Å; F929-N931 PolarHBondContact O-N 3.45Å
930S48.7Very low47.4Very low88 Ų88107.3 Ų107.362%0.61565%0.654SS**Hα-helixtrans-70.9-25.6178.5-67.70000113.8
931N43.5Very low45.9Very low138 Ų138113 Ų11374%0.73868%0.678SS**THydrogen-bonded Turntrans-86.1-11.5-174.8-120.775.7000114.1F929F929-N931 VanDerWaalsContact C-N 3.32Å; F929-N931 PolarHBondContact O-N 3.45Å
932A39.2Very low44.7Very low62 Ų62114.9 Ų114.951%0.51269%0.687SS.*THydrogen-bonded Turntrans-80.7-28.7-179.900000113.8A934A932-A934 VanDerWaalsContact C-N 3.31Å; A932-A934 PolarHBondContact O-N 3.37Å
933N41.3Very low43.8Very low151 Ų151115 Ų11581%0.80770%0.695SS**THydrogen-bonded Turntrans-86.28.6-175.8-82.718.7000114.6
934A43Very low42.8Very low88 Ų88119 Ų11973%0.72772%0.72SS**THydrogen-bonded Turntrans-103.30.4-174.900000114.7A932A932-A934 VanDerWaalsContact C-N 3.31Å; A932-A934 PolarHBondContact O-N 3.37Å
935S36.5Very low41.6Very low109 Ų109116.7 Ų116.776%0.76273%0.732SS**SBendtrans-104.7-5.1-177.354.70000114.7
936A41.7Very low40.7Very low96 Ų96113.8 Ų113.879%0.79374%0.736SS**SBendtrans-118.861.2-173.800000111.9
937G40.5Very low39.7Very low71 Ų71115.4 Ų115.473%0.73274%0.741SS**  trans176.946.2-176.500000119.9
938E33.1Very low39.1Very low210 Ų210119.2 Ų119.298%0.98175%0.75SS**  trans-158.3125.9147.6-121.9-174123.100111.6
939G34.9Very low38.5Very low84 Ų84121.2 Ų121.287%0.86676%0.763SS**  trans-17769.9-171.400000114.5
940G33.9Very low38.1Very low71 Ų71120 Ų12073%0.73276%0.764SS**  trans101.9102.2166.400000115.6
941E29.9Very low38Very low199 Ų199122.1 Ų122.193%0.9377%0.768SS**PPolyproline II helixtrans-64.4136.6148.3-80.6-166.8119.700109.3
942V37.6Very low38Very low136 Ų136128.1 Ų128.182%0.82479%0.792SS**PPolyproline II helixtrans-95122.1168.2175.90000108.3
943P39.8Very low37.9Very low114 Ų114131.5 Ų131.574%0.7481%0.806SS**PPolyproline II helixtrans-69.8138.5171.429.7-33.4000110.3
944S36.4Very low37.7Very low122 Ų122130.4 Ų130.485%0.85381%0.806SS**PPolyproline II helixtrans-56.9132.7-176.856.40000114.4
945A32.3Very low37.4Very low95 Ų95132.8 Ų132.879%0.78581%0.81SS**  trans-147.2147.7153.100000110.4
946S37.8Very low37.5Very low99 Ų99134.2 Ų134.269%0.69281%0.813SS**  trans-68.1165.2158.963.90000108.8
947D34.8Very low37.2Very low134 Ų134136.6 Ų136.672%0.71781%0.814SS**  cis-160-16944.6-133-64.7000114.6
948K38.9Very low37Very low176 Ų176140.9 Ų140.977%0.76582%0.82SS**  trans-73.7165.1-176.4-58.3163.1-175.9169.70113.8
949L36.3Very low37.3Very low151 Ų151136 Ų13679%0.79181%0.808SS**  trans100.1126.9133.9-136.583.3000119.3
950N39.1Very low37.4Very low126 Ų126140 Ų14067%0.67480%0.804SS**  trans99.2138.7136.1-129.891000120.7
951D47.5Very low37.7Very low133 Ų133145.8 Ų145.871%0.71181%0.81SS**  trans-62.3149-178.6-37.5-81000114.1
952Q42.5Very low38.5Very low264 Ų264140.9 Ų140.9100%1.23480%0.799SS**  -151.30101.5-153.4153.8118.300112.2

Retrieved 952 of 952 residues in 197.9 ms (Link to these results)