A0A5K4F2R8_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2R8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,598 aa.

>A0A5K4F2R8_SCHMA|A0A5K4F2R8
MKVKNKRPYNRSETCTRSSSSHSNTTSVTNNTSVYIPNKLNEPLDQSDNNYSPLTSNTLNNNNNNTNDDDNLNKSHKKACNSTNTKNTKTRHKSSKHTNSSSSSTSALLSPSTSSNTSSSTVSQLSGTSLKITHRGGRTHVSSVNPSSNTTNNNQTNNNSISNTIRLSNSKTNCCSLNNCSSSTSTTSSNGINESIDPYEFAVKTDESMNQCGLNDSLIPIKRLKLERNDERCNVLTTDSARSSPMLHTTTTINNTNRTDNSFNHSSPGSNSSPLTQSCTRPLSVFTDFSSSNNNNTNTIATNNNNNINGSGITRRKSDTVDATTISTTDNMTINSSTSLSPHNYYTGSEINANMSITSDSLMSFPTQSKLTETRAETPSTIPASDPSLCDTTSNFTTSAEKNKNDNTSTKINRNIGTTNTTTNDNSQTLSSMNNPSSFTSNAMLNNLEKTHPPETWIISHSPASSSFSCSQPPSPPPPPLAMTMTTTVMSSQLGSNSLLSSSSSIQSSVKSPSMISSTNTSTLSPVTTSLSFSSSPSSSQLAITSFIPSSQQYTTSSSTTTTTTSTIIPERRCTGVNTLLDNSKATLTEPDLLGPCEPGTTICLNGIVWLETTTGVLVVNVTWRGRTYIGTLLDATQHDFAPPCPRDYVPPFKSSIRSSNRTKRRTGVGTNYKPNLTNHLTTNDCNWKSTTNGRHRLRGRASNSPAVNNNNGNGIETISTTNRCNTHHLTKIDTEKELINDNVIQEDTDITKCLPHVSDEEHLTRSSSNRKSKLHNKSRKLFRGSSTSSSDCPSEILPDLEKLSEIGDFPGKTDGILCDPSNPDHSRPQTPSCMSNNTNNPDKNNNDHVCFEENDELHETFPIGCPIDGCKKRFSHVLALRFHLNHTSHCNLLDSHKKRPSSIDLKKQDFTDTTSIMTTTTTTDTNDNKNNNSAENGSSTHLKCPPTISPCQPSSSSPLSKGITTSGLLNSFSGPLLPSSSSSSSSSSSSSLQQQQLKQESNLYDSQLQSCPVLQSTSEYHQDTMSIPVQQMNMSTHQNYKWYNKNEQKLFDHVNVIMSTNTTNDNNNSDSSMNSVMHSVSKQRNNEMNKHSGSKKRSSTSMSSNNNNNPIIDITSLNNVRTVTAHTVSVPHGSLDIVGNLNSRSNHQHQHHHHHGQQQNHQTNDGNSFPYSKRTTPTSSSSSSSTTPRDFSSKHKGGQQQQQLSNKLSHPNMKIDNNHNNSTVMNYSRYSSGSTQHYGSLDQQSIKSELNNDYMMNLTMCHTLSNTTATATTTMSTTSKWKNLTVNQQELNTSLSNNNMIPSFLLQNAWNLQLPTSSTYTQSMPLSFNNSNKEDELKSTMNSLTNGLPSSLYLSTYSNMPTLTSSGSVVNNSPINTMPCSSTPSLSMYEMSTASQPFNDSKQYIPSNHHHLLGTSNQSADLNTTTNSMYYGIPDFLVAALSTLASNASSYSCIPEPFKSYFNQNSLMNNTTNPINTTHLNSNGNSISKVTNLSSSNMSPSNSGILDGTINNRFFNSQFFQNYGTNLSNVQNFQSFNNNNNGGGGAGNLTLNPERLDPLKLSAGYLMQYTNPDTTQLLSSSVSSSSVTSTYGNSILP
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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
1M35.1Very low33.8Very low234 Ų234179.1 Ų179.1100%1.15384%0.836SS**  0171.20-62.89985.300110.9
2K28Very low33.6Very low200 Ų200172.1 Ų172.187%0.8782%0.822SS**  trans-96.3126.2165.7-71174-179.2167.70109.5
3V36.5Very low34Very low122 Ų122173.8 Ų173.874%0.73983%0.829SS**  trans-137.1102.7158.8-176.90000109N5V3-N5 HydrophobicContact CG1-CB 4.33Å
4K31.5Very low34.1Very low203 Ų203170.4 Ų170.488%0.88382%0.824SS**  trans-85.4133.8153.4-73-177174.2-174.90106.5
5N35.4Very low34Very low155 Ų155166.3 Ų166.383%0.82982%0.818SS**  trans-156.696.6162.5-112-16.2000113.6V3V3-N5 HydrophobicContact CG1-CB 4.33Å
6K36.9Very low34.1Very low188 Ų188164.3 Ų164.382%0.81782%0.819SS**  trans-166.3133.6161.9-87.9-167.3-176.1177.30105.4
7R32.8Very low34.1Very low173 Ų173168.1 Ų168.165%0.65382%0.821SS**  cis-136.3-169-22.1-76.4177.2166.1165.7-6.9105.9
8P36.8Very low34.3Very low126 Ų126164.1 Ų164.182%0.81881%0.813SS**  -130.816383.712.79000113.6
9Y32.5Very low34.4Very low170 Ų170161.5 Ų161.567%0.66781%0.812SS**  trans-82155.4159.2-91.2-151000109.3
10N33.3Very low34.7Very low167 Ų167159 Ų15989%0.89381%0.811SS**  -166.7145.6115.2-98.1-7.2000111.3
11R33.4Very low34.8Very low232 Ų232156 Ų15688%0.87580%0.804SS**  trans-136116.3167.3-168.1-174.9-177.61761.9107.4
12S31Very low34.9Very low95 Ų95153.1 Ų153.166%0.66479%0.788SS**  trans37118.1161.359.10000119.8
13E38.2Very low35.5Very low195 Ų195148.1 Ų148.191%0.91178%0.778SS**  -152162.8125.3-117.6161.7-132.900111.4
14T36.4Very low35.5Very low125 Ų125150.3 Ų150.377%0.76779%0.785SS**  trans-131.1164.6-163.947.20000109.8
15C31.8Very low35.4Very low109 Ų109146.7 Ų146.774%0.73678%0.78SS**  cis-171.4139.2-17.1-105.80000108.8
16T36Very low35.4Very low134 Ų134145 Ų14582%0.82278%0.776SS**  trans-172.1123.8150.927.20000107.6
17R34.9Very low35Very low229 Ų229141 Ų14186%0.86477%0.772SS**  64.3135.459.4-65.6-175.363.8176.20112.1
18S36.1Very low35.1Very low97 Ų97139.5 Ų139.568%0.67878%0.782SS**  cis-140.9-175.520.1-53.70000110.5
19S37.9Very low34.9Very low114 Ų114138.7 Ų138.780%0.79778%0.775SS**  cis-146.7155.411.3-57.10000109.5
20S39.2Very low35Very low111 Ų111136.9 Ų136.978%0.77678%0.776SS**  cis-129.3-148.912.554.60000109.5
21S37.7Very low35.1Very low97 Ų97135.1 Ų135.168%0.67877%0.767SS**  cis-157.3-167.16.1-144.70000113.6
22H36.2Very low35.2Very low173 Ų173130.3 Ų130.380%0.80176%0.763SS**  trans-62.8151.4177.9-62.284.8000113.8
23S41.1Very low35.2Very low95 Ų95130.9 Ų130.966%0.66477%0.767SS**  cis-162130.5-4.942.70000113.4
24N35.6Very low35Very low168 Ų168127 Ų12790%0.89876%0.757SS**  trans48.2160.5144.3-66.47000122.8
25T30.6Very low34.7Very low127 Ų127131.2 Ų131.278%0.77976%0.76SS**  trans-121.2178.4-166.751.70000113.2
26T34.4Very low35.4Very low120 Ų120132.9 Ų132.974%0.73676%0.76SS**  trans92.2119.3146.35.40000119.7
27S29.4Very low35.9Very low105 Ų105132.3 Ų132.373%0.73476%0.759SS**  trans54.7120.9146.558.20000120.7
28V35.1Very low35.8Very low141 Ų141128.7 Ų128.786%0.85576%0.757SS**  -162.3162.396143.80000109.9
29T32.8Very low36.1Very low109 Ų109133.3 Ų133.367%0.66977%0.765SS**  trans-89.9167.8-17555.30000114
30N33.6Very low35.9Very low132 Ų132135.5 Ų135.571%0.70677%0.767SS**  trans116.2117.5148.2-58.6-22.8000119
31N35.5Very low35.5Very low129 Ų129136.5 Ų136.569%0.6976%0.763SS**  7898.8123.9-62.22.2000123.6
32T35.3Very low35.7Very low131 Ų131139 Ų13980%0.80476%0.764SS**  66.6147.611958.80000123.9
33S32.3Very low36.3Very low107 Ų107136.5 Ų136.575%0.74876%0.763SS**  trans72.6113.6164.1-140.60000115.7
34V32.5Very low35.8Very low115 Ų115137.7 Ų137.770%0.69776%0.762SS**  64.493.252.2-168.80000113.1
35Y30.9Very low35.5Very low213 Ų213136.3 Ų136.384%0.83575%0.754SS**  -170.1159.9112.5-125.5-90.2000112
36I47.4Very low35.8Very low143 Ų143138.4 Ų138.473%0.73376%0.755SS**  trans-112.5135.3171.1-59.5169.4000108.9
37P45.7Very low35.6Very low122 Ų122137.4 Ų137.479%0.79275%0.753SS**  trans-117.2156.5157.612.78.7000113.7
38N32.1Very low35.9Very low153 Ų153139 Ų13982%0.81875%0.754SS**  trans-89.4164.5-168.7-72-55.6000115.5
39K43.1Very low36.1Very low195 Ų195138 Ų13885%0.84874%0.743SS**  trans-23.8145.5152.5-57.7178.7172-169.30117.5
40L32.8Very low36.2Very low160 Ų160139.2 Ų139.284%0.83875%0.746SS**  trans-152.7154145.4-83.2169.5000106.6
41N31.8Very low36.1Very low131 Ų131142.9 Ų142.970%0.70175%0.751SS**  cis-159.7167.5-35.8-136.341.6000109.1
42E42.2Very low36.2Very low150 Ų150141.8 Ų141.870%0.70175%0.754SS**  trans-77.7166.9166.9-65.3167.1128.200111.7L44E42-L44 HydrophobicContact CB-CG 4.31Å
43P48.3Very low36.4Very low120 Ų120141.6 Ų141.678%0.77976%0.755SS**  -118.3133.4120.535.2-31.9000110.3
44L30.1Very low36.2Very low121 Ų121144 Ų14463%0.63476%0.758SS**  cis61.7127.239.6-59.9170.6000112.4E42E42-L44 HydrophobicContact CB-CG 4.31Å
45D29.5Very low36Very low138 Ų138144.1 Ų144.174%0.73876%0.759SS**  cis-159.7-162.61.5-152.5-25.9000109.2
46Q37.1Very low35.9Very low172 Ų172138.7 Ų138.780%0.80475%0.752SS**  trans96.985.7164-55178.212.100117.1
47S30.7Very low34.9Very low99 Ų99138.4 Ų138.469%0.69275%0.752SS**  10.6122.4127.455.60000118.8
48D35.9Very low34.1Very low139 Ų139138.7 Ų138.774%0.74375%0.752SS**  -169.7143.6100.9-110.1-1.5000115.6
49N38.9Very low34.1Very low119 Ų119137.8 Ų137.864%0.63675%0.747SS**  trans57.7103.2153.9-63-58.1000122.1
50N35.1Very low33.5Very low135 Ų135134 Ų13472%0.72274%0.735SS**  trans71.5133.3143.9-49.4-35.7000119.4
51Y31.6Very low33.4Very low209 Ų209132 Ų13282%0.8273%0.726SS**  cis-166.8160.9-13.4-127.2-78.1000108.7
52S36.7Very low33.7Very low106 Ų106132 Ų13274%0.74173%0.726SS**  trans84.8159.3166.3-31.20000118.5
53P39.9Very low33.3Very low127 Ų127130.6 Ų130.683%0.82572%0.723SS**  cis-124.588.9-10.434.8-15.8000112.3
54L28.7Very low32.7Very low158 Ų158130.8 Ų130.883%0.82772%0.717SS**  trans-83.2163156.6-104.8169.9000109.7
55T28.6Very low32.8Very low116 Ų116130.7 Ų130.771%0.71272%0.717SS**  trans0.4135.5155.350.70000117.3
56S27.9Very low33Very low99 Ų99128.8 Ų128.869%0.69271%0.711SS**  cis-177.6178.430.236.40000112.3
57N26.6Very low33.2Very low137 Ų137127.4 Ų127.473%0.73371%0.709SS**  trans8.6132.3145.1-61.3-1.5000119.1
58T29.4Very low33.3Very low129 Ų129129 Ų12979%0.79171%0.71SS**  trans67.4149.2149.256.20000117.2
59L31.6Very low33.1Very low134 Ų134129 Ų12970%0.70271%0.71SS**  cis-147.5157.69.2-159.472.2000111
60N30.6Very low32.8Very low115 Ų115130.9 Ų130.962%0.61572%0.72SS**  trans65.1125.3149.2-90.26.4000120.3
61N31.2Very low32.8Very low118 Ų118131.3 Ų131.363%0.63172%0.722SS**  57.8123.5120.3-59.35.5000117.7
62N36.6Very low32.8Very low131 Ų131128 Ų12870%0.70172%0.718SS**  cis-170.4162.633.5-105.3-10.7000109.2
63N35.3Very low32.5Very low120 Ų120129.6 Ų129.664%0.64272%0.718SS**  cis-171171-25-135.716.1000108.2
64N35.4Very low32.6Very low124 Ų124132.6 Ų132.666%0.66372%0.718SS**  trans68.4149164-52.4-10.8000115.8
65N31.6Very low33.1Very low119 Ų119129.5 Ų129.564%0.63671%0.71SS**  cis-152.9172.3-17.3-101.3-6.3000105.3
66T34Very low33.7Very low98 Ų98131.8 Ų131.860%0.60171%0.712SS**  cis-141.3148.327.349.50000109.3D68T66-D68 WeakPolarHBondContact CB-O 3.37Å; T66-D68 WeakPolarHBondContact CG2-O 3.3Å
67N41.8Very low34.1Very low143 Ų143135.7 Ų135.777%0.76572%0.717SS**SBendcis43.368.76.1-77.51.9000113.7
68D31Very low34.6Very low132 Ų132138.6 Ų138.671%0.70672%0.723SS**SBendtrans56.9142.1167.8-51-30.9000120.2T66T66-D68 WeakPolarHBondContact CB-O 3.37Å; T66-D68 WeakPolarHBondContact CG2-O 3.3Å
69D33Very low34.9Very low139 Ų139136.5 Ų136.574%0.74372%0.719SS**  trans67.583.7155-57.3-20.5000121N71D69-N71 PolarHBondContact O-N 2.69Å; D69-N71 VanDerWaalsContact O-N 3.15Å
70D32.9Very low34.9Very low160 Ų160135.8 Ų135.886%0.85672%0.724SS**SBendtrans-79.867.5145.7-126.2-18.5000110.3
71N34.4Very low35Very low143 Ų143137.4 Ų137.477%0.76573%0.732SS**SBendtrans166.377.9142.7-92.6-74.3000114.4D69D69-N71 PolarHBondContact O-N 2.69Å; D69-N71 VanDerWaalsContact O-N 3.15Å
72L31Very low35.1Very low139 Ų139136.1 Ų136.173%0.72873%0.732SS**  25.4133.6127.4-75.8158.8000121.1
73N32.1Very low35.1Very low141 Ų141135.6 Ų135.675%0.75473%0.734SS**  trans69.4110.8156-73.4-49.6000117.2
74K41.5Very low34.8Very low189 Ų189136.6 Ų136.682%0.82274%0.739SS**  cis-161.5133.749.3-113.1161.1-175.3172.10115.5
75S39.7Very low34.8Very low94 Ų94135.3 Ų135.366%0.65774%0.736SS**  trans55.9111.8141.4620000123.3
76H39.9Very low34.9Very low163 Ų163138.6 Ų138.676%0.75575%0.745SS**  88.2108.7123.2-70.5-25.3000124.1
77K36.6Very low35Very low181 Ų181141 Ų14179%0.78775%0.754SS**  71.5131.6122.8-79177.9174.1168.80122.2
78K37.6Very low34.9Very low199 Ų199140.2 Ų140.287%0.86575%0.754SS**  trans83.7101.6146.1-79-171.5171.6-172.10120.7
79A34.7Very low35.1Very low85 Ų85143.1 Ų143.170%0.70276%0.761SS**  83.5116.8108.300000122.1
80C32.1Very low35.5Very low119 Ų119143 Ų14380%0.80477%0.765SS**  trans80.9135.3135.6-61.70000122.7
81N33.6Very low35.7Very low149 Ų149145.9 Ų145.980%0.79776%0.764SS**  trans76.7114.9146-78.58.9000122.9
82S33.4Very low35.9Very low90 Ų90147.4 Ų147.463%0.62977%0.766SS**  87.5112.7118.7-63.20000122.3
83T35.1Very low36.2Very low120 Ų120150 Ų15074%0.73677%0.771SS**  74122.9127.962.90000122.1
84N30.4Very low36.5Very low141 Ų141148.8 Ų148.875%0.75477%0.774SS**  97.8140.7123.5-97.8-31000123.5
85T34.3Very low36.2Very low97 Ų97144.7 Ų144.760%0.59577%0.769SS**  trans75.8108.9143.5470000123.5
86K33Very low35.9Very low189 Ų189149.4 Ų149.482%0.82278%0.778SS**  61.4116.9119.5-61.9169.1-175.8168.60120
87N36.2Very low35.7Very low149 Ų149150.5 Ų150.580%0.79778%0.783SS**  trans-129.2112.7142.9-102.2-40.2000107.2
88T41.5Very low35.9Very low125 Ų125148.1 Ų148.177%0.76778%0.784SS**  91149.57853.40000113
89K33.4Very low35.6Very low193 Ų193145.8 Ų145.884%0.83978%0.781SS**  trans-126.5158.8-166.4-60.8175.9178.7177.20110.6
90T41.7Very low35.7Very low136 Ų136147.6 Ų147.683%0.83479%0.789SS**  173.1160.1108.233.80000115.7
91R37.3Very low35.9Very low222 Ų222147.2 Ų147.284%0.83879%0.787SS**  trans72.699.9156-86.1-179.1169.4-174.4-2.7121.3
92H39.4Very low35.9Very low174 Ų174145.2 Ų145.281%0.80679%0.785SS**  27.1146.7118.7-49-66.1000119.6
93K37.4Very low35.9Very low193 Ų193146.4 Ų146.484%0.83979%0.793SS**  cis-173.4144.142.5-155.4175.7-173.3-176.90111.9
94S38Very low35.9Very low117 Ų117144.6 Ų144.682%0.81879%0.785SS**  trans66152.4159.1-175.80000117.7
95S34.8Very low36.1Very low102 Ų102143.2 Ų143.271%0.71378%0.782SS**  cis-167.7168.4-28.9-177.10000108.4
96K34.4Very low36.1Very low194 Ų194144.8 Ų144.884%0.84380%0.797SS**  trans65.897.4-179.2-62.2-177.6177.4179.20116.8
97H35.1Very low36.1Very low186 Ų186140 Ų14086%0.86179%0.793SS**  -93.1152.2128.4-87.8-91.5000108.9
98T39.7Very low36.1Very low130 Ų130140.4 Ų140.480%0.79879%0.794SS**  trans-67.2133.4165.946.20000109
99N32.6Very low35.8Very low150 Ų150142 Ų14280%0.80280%0.798SS**  cis60.7137.847.2-84.411.5000116
100S37Very low35.8Very low124 Ų124138.2 Ų138.287%0.86780%0.795SS**  trans75129.5164.2-55.10000118.3
101S35.1Very low36.1Very low111 Ų111137 Ų13778%0.77679%0.789SS**  trans-93.6157.2177.650.60000112.4
102S34.9Very low36Very low106 Ų106131.2 Ų131.274%0.74178%0.783SS**  173.6129.7109.644.20000114.5
103S33.6Very low35.8Very low116 Ų116128.9 Ų128.981%0.81178%0.781SS**  trans67.3156.1163.692.70000116.3
104S34.1Very low35.7Very low81 Ų81125.2 Ų125.257%0.56678%0.78SS**  cis-142154.10.3-70.70000111.9
105T33.7Very low35.5Very low113 Ų113124.3 Ų124.369%0.69377%0.773SS**  trans29.8112.7149.556.40000121.2L681T105-L681 HydrophobicContact CG2-CD2 3.99Å
106S35Very low35.5Very low129 Ų129126 Ų12690%0.90278%0.775SS**  -163.6158.7111.248.10000109.6
107A34Very low35.6Very low90 Ų90122.4 Ų122.474%0.74477%0.769SS**  trans-130.4151-176.200000110.5
108L34.4Very low35.6Very low157 Ų157119 Ų11982%0.82277%0.766SS**  174149.6123.2-93.1163.1000112.9
109L36.7Very low35.4Very low159 Ų159117.7 Ų117.783%0.83276%0.762SS**  trans67.1116.7152.4-64.4161.3000121.1
110S33.9Very low35.5Very low112 Ų112116 Ų11678%0.78376%0.763SS**  trans-68.5171.7160.8-23.90000112
111P46.9Very low35.4Very low110 Ų110116.7 Ų116.771%0.71476%0.762SS**  -153.5175.662.839.4-17.7000118.8
112S34.6Very low35.4Very low102 Ų102117.5 Ų117.571%0.71376%0.761SS**  trans64.5144.515047.70000120.1
113T36.9Very low35.5Very low125 Ų125117 Ų11777%0.76776%0.758SS**  cis-163.1155.3-5.5120000110.8
114S33.6Very low35.4Very low115 Ų115120.3 Ų120.380%0.80476%0.761SS**  trans62.2145.9160.545.30000119.1
115S35.4Very low35.5Very low98 Ų98124.2 Ų124.269%0.68577%0.774SS**  cis-159.1168.8-447.90000112.9
116N33.2Very low35.8Very low138 Ų138124.2 Ų124.274%0.73878%0.779SS**  trans74101.6153.7-64.2-4.1000122.4
117T36.6Very low35.8Very low119 Ų119121.2 Ų121.273%0.7377%0.769SS**  61.8118.112858.20000122.9
118S34.9Very low35.9Very low114 Ų114123.2 Ų123.280%0.79777%0.772SS**  55.3135.3126.3-490000121.5
119S35.3Very low36Very low103 Ų103120.6 Ų120.672%0.7277%0.766SS**  cis-168.8137.1-5.847.50000113.3
120S36.5Very low35.8Very low115 Ų115120.3 Ų120.380%0.80477%0.765SS**  trans58.8136.1152.860.80000123.4
121T35.1Very low35.9Very low138 Ų138123.2 Ų123.285%0.84776%0.763SS**  trans-153.6163.1176.552.30000107.7
122V35Very low35.2Very low127 Ų127124.7 Ų124.777%0.7776%0.764SS**  cis-159.1-171.5-51170000109.2
123S36.2Very low35.4Very low97 Ų97125.1 Ų125.168%0.67876%0.762SS**  trans-24149.2164.8-45.40000118.3
124Q30.9Very low35.6Very low185 Ų185126.9 Ų126.986%0.86476%0.762SS**  cis66.7127.747.1-79.7-159.6-3.600117.5
125L37.3Very low35.7Very low163 Ų163133.2 Ų133.285%0.85377%0.768SS**  trans177.3137.3134.6-100.5164.8000114.2
126S39.8Very low35.6Very low112 Ų112132.7 Ų132.778%0.78378%0.778SS**  trans39.1148.1152.6530000122.8
127G34.4Very low35.6Very low67 Ų67130.1 Ų130.169%0.69178%0.784SS**  cis104.61385.200000113.8
128T36.2Very low35.4Very low132 Ų132135.6 Ų135.681%0.8179%0.791SS**  cis-157.8-171.3-2.771.30000111.2
129S36.5Very low35.3Very low101 Ų101135.4 Ų135.471%0.70679%0.785SS**  trans79.2138.5158.1-62.40000121.1
130L33.2Very low35.1Very low154 Ų154139.4 Ų139.481%0.80679%0.792SS**  cis-165.5156.7-23.7-123.3174000112.2
131K35Very low35Very low172 Ų172139.3 Ų139.375%0.74879%0.786SS**  trans74.4109.9166.5-71.8-165.9172.9-179.70121.9
132I33.7Very low34.9Very low142 Ų142138 Ų13873%0.72878%0.783SS**  61.9127.4119.5-61.8166.2000117.2
133T37.7Very low34.8Very low110 Ų110136.6 Ų136.668%0.67578%0.779SS**  cis-150.7150.846-160000115.9
134H41.5Very low34.7Very low163 Ų163138.5 Ų138.576%0.75579%0.786SS**  trans51.4110.3154-63.2-38000125.5
135R35.4Very low35Very low247 Ų247136.8 Ų136.893%0.93278%0.783SS**  50.8124.4128.3-74.8-174.6168.5-176.8-2.7121.5
136G32.9Very low35.4Very low88 Ų88134.2 Ų134.291%0.90778%0.776SS**  trans155.641.6142.600000120.4
137G32.8Very low35.1Very low83 Ų83133.9 Ų133.986%0.85677%0.774SS**  trans-158153.4-177.100000116.6
138R33Very low35.1Very low235 Ų235135.1 Ų135.189%0.88777%0.772SS**  trans-81.5155.6-170.8-113177161.1178.5-7.5114.9
139T33.2Very low34.9Very low109 Ų109135.7 Ų135.767%0.66977%0.77SS**  trans61.6106146.252.90000122.6
140H31.4Very low34.9Very low187 Ų187136.6 Ų136.687%0.86677%0.771SS**  trans-142.2145.7137.8-79.7-97.2000107.4
141V33.1Very low35.2Very low113 Ų113134.9 Ų134.969%0.68577%0.767SS**  cis98108.56.3-1730000116.8
142S32.9Very low35.2Very low111 Ų111132.9 Ų132.978%0.77677%0.765SS**  trans64.3147.7158.8-65.80000120
143S34.1Very low35.3Very low98 Ų98132.1 Ų132.169%0.68576%0.762SS**  cis-172.6141.1-12.148.20000114.1
144V34.7Very low35.2Very low136 Ų136132.8 Ų132.882%0.82476%0.762SS**  trans68.9110.6141.8175.60000121.6
145N35.9Very low34.9Very low149 Ų149133 Ų13380%0.79776%0.763SS**  41150.9119.9-96.318.5000122.5
146P45.2Very low34.8Very low109 Ų109126.7 Ų126.771%0.70875%0.752SS**  -159.6170.571.642.4-21.2000121.1
147S33.9Very low34.9Very low105 Ų105128.9 Ų128.973%0.73474%0.743SS**  trans62.3149.2141.755.20000122.5
148S34.1Very low34.9Very low93 Ų93131.6 Ų131.665%0.6574%0.738SS**  cis-175.6169.2-9.448.80000113.2
149N32.7Very low35.1Very low144 Ų144127.6 Ų127.677%0.7773%0.734SS**  trans79.2131.9163.1-56.2-19.1000116.9
150T37.2Very low35.2Very low121 Ų121126.7 Ų126.774%0.74273%0.733SS**  cis-148.9-156-0.42.10000109.5
151T39Very low35.2Very low117 Ų117125 Ų12572%0.71873%0.728SS**  cis-162.817018.1-27.80000112.1
152N35Very low35.1Very low130 Ų130124 Ų12470%0.69573%0.726SS**  trans-22.7158.2160.7-58.5-0.9000119.7
153N36.2Very low35.1Very low127 Ų127126 Ų12668%0.67973%0.729SS**  cis-168.8156.5-14.7-100.8-13.5000112.6
154N34.5Very low34.9Very low124 Ų124126 Ų12666%0.66372%0.724SS**  trans63110.6148.1-65.2-0.1000124.9
155Q34.8Very low34.9Very low166 Ų166126.8 Ų126.878%0.77672%0.722SS**  84.4140.6119.8-73.1179.4-45.800125.4
156T35Very low34.8Very low115 Ų115128.9 Ų128.971%0.70672%0.719SS**  trans80.8112.3150.443.30000123.9
157N33.7Very low34.4Very low135 Ų135130.8 Ų130.872%0.72272%0.722SS**  75.9124.3127.5-62.1-0.9000124
158N34Very low34.4Very low140 Ų140129.8 Ų129.875%0.74972%0.716SS**  trans73.9121.5136.8-65.4-4.5000122.7
159N36.1Very low34.4Very low150 Ų150132.6 Ų132.680%0.80272%0.723SS**  trans60.5128.9139.5-86.60.4000122.9
160S35.3Very low34.4Very low91 Ų91129.7 Ų129.764%0.63671%0.714SS**  trans78.6115.4133.7-63.60000121.1
161I31.3Very low34.3Very low150 Ų150132.8 Ų132.877%0.76972%0.717SS**  73.6117.9129.7-61.4171.2000117.6
162S30.7Very low34.2Very low93 Ų93132.2 Ų132.265%0.6571%0.714SS**  trans17.7130.9142-45.40000120.1
163N33.8Very low34Very low154 Ų154133.2 Ų133.282%0.82472%0.719SS**  -134128.2123.1-86.9-62.2000109.3
164T29.5Very low33.8Very low96 Ų96131.9 Ų131.959%0.58972%0.719SS**  79.7121.651.9-57.50000111.9
165I35.6Very low33.8Very low153 Ų153131.6 Ų131.679%0.78573%0.725SS**  trans166.9126.8141.5-91.7157.5000107.4
166R34.2Very low33.7Very low193 Ų193128.2 Ų128.273%0.72872%0.72SS**  cis-173166.1-12.1-134-178.6-153.7-171.56.5109.3
167L35Very low33.7Very low149 Ų149129.9 Ų129.978%0.7872%0.724SS**  trans67.7153.7156-60.3160.1000117.3
168S34Very low33.7Very low85 Ų85129.5 Ų129.559%0.59472%0.722SS**  cis-168.4158.6-23.550.20000111.4
169N34.3Very low33.6Very low151 Ų151129.8 Ų129.881%0.80772%0.723SS**  trans64169158.4-63.9-6.1000118.7
170S34Very low33.3Very low84 Ų84128.3 Ų128.359%0.58772%0.723SS**  cis-177.1148.4-49.362.90000109
171K33.7Very low33.2Very low185 Ų185129.3 Ų129.380%0.80473%0.73SS**  trans66.6129.2148.3-76.6-179174.9-177.90121.2
172T37.1Very low33.4Very low106 Ų106127.7 Ų127.765%0.6573%0.732SS**  trans68.6124132.9590000121.8
173N31.9Very low33.4Very low150 Ų150129.1 Ų129.180%0.80274%0.742SS**  59.9142125.8-58.713.3000119.8
174C32.6Very low33.4Very low99 Ų99128.9 Ų128.967%0.66975%0.747SS**  cis-175.8154.5-12.4510000108
175C33.4Very low33.6Very low118 Ų118129.1 Ų129.180%0.79775%0.752SS**  trans64.2137163.5-56.50000116.8
176S32.7Very low33.6Very low95 Ų95128.2 Ų128.266%0.66475%0.754SS**  cis-169.5166.30.5-97.80000110.3
177L35.2Very low33.3Very low150 Ų150125.9 Ų125.979%0.78576%0.761SS**  trans68.5143.8175.8-77.566.8000115
178N33.7Very low33.3Very low128 Ų128123.9 Ų123.968%0.68476%0.76SS**  cis-149.3138.39.3-122.6-15.1000113.5
179N31.3Very low33.3Very low145 Ų145124.7 Ų124.778%0.77577%0.766SS**  trans51.4138.1151.4-82.4-5.1000124.8
180C29.7Very low33.4Very low119 Ų119125 Ų12580%0.80477%0.767SS**  trans86.9136.3153.4-66.70000122
181S33.8Very low33.3Very low112 Ų112124.2 Ų124.278%0.78377%0.772SS**  trans95110.6151.3-580000121.9
182S34.8Very low33.1Very low116 Ų116121 Ų12181%0.81176%0.763SS**  trans64.395.7140.856.50000121.8
183S30.8Very low32.7Very low123 Ų123123.1 Ų123.186%0.8677%0.77SS**  trans-174.5150.5138.845.40000111.9
184T33.5Very low32.8Very low150 Ų150125.4 Ų125.492%0.9278%0.776SS**  trans-159.7148.1168.9-27.50000110.2
185S34.4Very low32.7Very low101 Ų101125.7 Ų125.771%0.70678%0.779SS**  trans-159.9152.8-161.156.80000117.5
186T34.7Very low32.7Very low134 Ų134127.5 Ų127.582%0.82278%0.779SS**  trans70.8147.3153.147.10000121.1
187T29.7Very low32.7Very low143 Ų143129.9 Ų129.988%0.87779%0.785SS**  trans-155.6149.6-164.450.40000113.8
188S33.9Very low32.9Very low107 Ų107127.4 Ų127.475%0.74878%0.777SS**  trans-165.5109.5164.651.10000109.8
189S35.1Very low32.9Very low103 Ų103132.3 Ų132.372%0.7279%0.788SS**  71.4128.372.570.30000113.8
190N35Very low32.9Very low156 Ų156134.2 Ų134.283%0.83479%0.792SS**  cis-152.9179.14.3-95.21.8000109
191G31.9Very low33.2Very low68 Ų68137.3 Ų137.370%0.70179%0.792SS**  cis124.8123.8-0.200000113.2
192I29.7Very low33.3Very low119 Ų119136.9 Ų136.961%0.6180%0.796SS**  trans-128.9137176.8-45.7175.3000110.3
193N29.9Very low33.2Very low150 Ų150137.1 Ų137.180%0.80279%0.792SS**  trans23.2115.3164.6-58.4-8.9000120.8
194E32.9Very low33.6Very low197 Ų197140.9 Ų140.992%0.92179%0.793SS**  -156.1-173.3110.3-124.9175.7-155.700111.8
195S30.7Very low33.7Very low105 Ų105139.1 Ų139.173%0.73478%0.782SS**  trans-117.8180-153-51.10000115.5
196I33.2Very low33.8Very low156 Ų156140.8 Ų140.880%0.878%0.783SS**  trans75.9138.2168.6-74.1165.5000116
197D31.8Very low33.8Very low145 Ų145142.8 Ų142.878%0.77578%0.783SS**  cis-160153-30.5-154.438.8000107
198P41.1Very low33.9Very low98 Ų98140.9 Ų140.964%0.63678%0.775SS**  trans-100.6169-165.339.1-35.4000114.4
199Y32.6Very low34.2Very low231 Ų231143.5 Ų143.591%0.90678%0.778SS**  trans-167.7111.3140.5-112.8-70.8000112.8
200E32Very low34.1Very low185 Ų185146.1 Ų146.186%0.86478%0.784SS**  trans-149.5157.9144.5-165.2156.1-155.600111.4
201F35.1Very low34.3Very low184 Ų184146.7 Ų146.781%0.80778%0.781SS**  trans-73.3139.5-161.1-76.6-114.4000116
202A36.9Very low34Very low103 Ų103149.7 Ų149.785%0.85179%0.79SS**  trans-146.8135.5134.500000110.3
203V32.3Very low34.2Very low122 Ų122147.8 Ų147.874%0.73980%0.8SS**  trans-94.6133.9-173.9172.70000111.7
204K38Very low34.3Very low202 Ų202148.3 Ų148.388%0.87880%0.802SS**  trans-161.7144145.5-110.7160.8-173.4178.20112.6
205T36Very low34.6Very low113 Ų113146.9 Ų146.969%0.69380%0.801SS**  trans-89.2173.7169.450.50000108.5
206D36.7Very low34.6Very low135 Ų135149.2 Ų149.272%0.72281%0.805SS**  cis-150.8165.247.3-66.2-51.5000114.7
207E34.9Very low34.7Very low177 Ų177147 Ų14783%0.82780%0.803SS**  trans20.4124.5148.1-58.8-177.916600119.9
208S32.4Very low34.8Very low102 Ų102147.3 Ų147.371%0.71380%0.804SS**  cis90.6118.536.480.50000116.3
209M38.9Very low34.4Very low162 Ų162149.4 Ų149.480%0.79881%0.809SS**  trans-157.5134.5146.4-85.5-13180.500110
210N33.7Very low34.9Very low158 Ų158143.7 Ų143.785%0.84580%0.8SS**  trans-158.5131.7160.8-116.5-24.4000108.7
211Q38.4Very low35Very low168 Ų168141.9 Ų141.979%0.78579%0.794SS**  trans-100.5134.8-175-158.385.16.800110
212C27.4Very low34.9Very low131 Ų131142.2 Ų142.289%0.88580%0.795SS**  trans-85.9149.6178.7-58.90000112.8
213G33.4Very low34.6Very low79 Ų79148.6 Ų148.681%0.81480%0.798SS**  trans-143.3132.1165.200000109.7
214L32.7Very low34.7Very low161 Ų161151.5 Ų151.584%0.84381%0.808SS**  trans-94.4158.5-177.7-67.3166.7000111.4
215N37.3Very low34.4Very low168 Ų168150.4 Ų150.490%0.89880%0.803SS**  trans-162.9135148.5-93.8-37.3000110
216D32.5Very low34.2Very low154 Ų154153.2 Ų153.282%0.82481%0.813SS**  trans-92.8144.9177.2-67.1-72.5000112.2
217S35.4Very low34.1Very low108 Ų108154.9 Ų154.976%0.75582%0.817SS**  trans-175.6125.9145.2-85.60000113.7
218L33.5Very low34.2Very low153 Ų153156.4 Ų156.480%0.80182%0.815SS**  28.4134.4117.8-55.3172.5000117.6
219I33.1Very low34.2Very low142 Ų142158.5 Ų158.573%0.72882%0.818SS**  cis-158.2153.212.4-106.7154.9000109.2
220P43.2Very low34.1Very low111 Ų111157 Ų15772%0.72181%0.813SS**  trans-91.2148.7178.635.5-34.8000114.1
221I32.2Very low34.1Very low147 Ų147157 Ų15775%0.75481%0.808SS**  trans-165.9142.1151.8-115.4162.4000116.4
222K33.6Very low33.8Very low190 Ų190158 Ų15883%0.82680%0.804SS**  trans59.6128.2158.1-68.5168.7-169.4172.90123
223R31.1Very low34.1Very low238 Ų238156.2 Ų156.290%0.89879%0.793SS**  trans-55.7155.7160.4-53.7162.5172165.2-7.1113.3
224L34.5Very low33.9Very low182 Ų182158.7 Ų158.795%0.95379%0.787SS**  trans-139156.7130.9-82.9-176.6000110.3
225K32.1Very low33.8Very low179 Ų179156.1 Ų156.178%0.77878%0.778SS**  trans-149.9130169.6-176.9-171.7178.2-165.50107.2
226L32.2Very low33.6Very low172 Ų172155.2 Ų155.290%0.90177%0.772SS**  trans-150.5166.2168.2-148.468.9000109.4
227E33.1Very low33.4Very low171 Ų171152.9 Ų152.980%0.79976%0.764SS**  trans-109.5-176-164.2-69.1172.6129.300113.2
228R37.5Very low33.2Very low209 Ų209152.6 Ų152.679%0.78976%0.758SS**  trans-88.5164.8-173.2-57.6-176.9-17586-2112.7
229N33.3Very low33Very low146 Ų146152.9 Ų152.978%0.78176%0.76SS**  -178.7130.6114.9-80.6-6.7000106.3
230D35.5Very low33Very low130 Ų130150.2 Ų150.270%0.69575%0.754SS**  cis89.6133.349.6-72-24.9000113.4
231E34.4Very low32.3Very low159 Ų159148.8 Ų148.874%0.74375%0.751SS**  trans130.5135.5177.1-77.4-91.9144.500110.2
232R32.1Very low32.3Very low187 Ų187153.1 Ų153.171%0.70676%0.758SS**  cis-169.2175.1-19.8-159.6162.9165.5175.5-5110.5
233C33.1Very low32.3Very low95 Ų95149 Ų14964%0.64275%0.754SS**  trans76.5141.8159.7-660000117.9
234N29.6Very low32.3Very low131 Ų131143.1 Ų143.170%0.70175%0.749SS**  cis-166.1152.3-19.1-116.8-2.9000111.1
235V29.8Very low32.7Very low107 Ų107138.3 Ų138.365%0.64873%0.728SS**  trans44.4120.4136.2-179.40000117.5
236L34Very low32.7Very low149 Ų149134.5 Ų134.578%0.7871%0.714SS**  -141.3155.456.1-61.8153.7000109.4
237T28.4Very low32.8Very low104 Ų104130.6 Ų130.664%0.63869%0.694SS**  cis63.1147.740.480.50000113
238T31.5Very low32.8Very low103 Ų103127.9 Ų127.963%0.63268%0.681SS**  cis-163.5157.24.5-8.70000108.5
239D29Very low32.6Very low158 Ų158123.5 Ų123.585%0.84568%0.678SS**  -140.9124125.3-98.2-28.8000106.9
240S33.5Very low32.4Very low86 Ų86122.2 Ų122.260%0.60168%0.675SS**  cis76.4144.243.1-51.70000113.5
241A28.6Very low32.3Very low81 Ų81122 Ų12267%0.66968%0.679SS**  cis-179.2177.5-26.400000107.3
242R32.4Very low32.2Very low239 Ų239120.3 Ų120.390%0.90268%0.68SS**  trans75.2147.5166.7-37.7169.579.6169.75.7113.9
243S32.2Very low32.2Very low104 Ų104118.1 Ų118.173%0.72768%0.68SS**  cis-148.1139.24.5-28.40000111.7
244S31.6Very low32Very low113 Ų113119.7 Ų119.779%0.7968%0.683SS**  trans-76.9167.4150.5-46.70000110.5
245P42.3Very low31.9Very low81 Ų81119.7 Ų119.753%0.52668%0.682SS.*  trans-124.9157.714637.3-28.4000112.9
246M32.7Very low32Very low99 Ų99120.1 Ų120.149%0.48869%0.685SS.*  trans-104.1153.3-173.8-60.4149.756.700113H248 Q507M246-H248 WeakPolarHBondContact CE-NE2 3.37Å; M246-Q507 PolarHBondContact O-N 2.99Å
247L34.2Very low31.7Very low91 Ų91120.1 Ų120.148%0.47669%0.686SS.*  -154.7123.5129.9-93.2172.8000105.2I506 Q507L247-I506 HydrophobicContact CD1-CG1 4.47Å; L247-I506 HydrophobicContact CD1-CG2 4.35Å; L247-I506 HydrophobicContact CD2-CD1 4.21Å; L247-I506 HydrophobicContact CD2-CG1 3.84Å; L247-I506 HydrophobicContact CG-CG1 4.2Å; L247-Q507 HydrophobicContact CD1-CG 4.38Å
248H34Very low31.9Very low113 Ų113126 Ų12652%0.52370%0.697SS.*  60.4130.563.9-79.3-126.6000112.7M246M246-H248 WeakPolarHBondContact CE-NE2 3.37Å
249T31.8Very low32Very low117 Ų117126.4 Ų126.472%0.71870%0.699SS**  cis-146164.615.4-40.20000112.5
250T30.6Very low32.3Very low119 Ų119124.8 Ų124.873%0.7369%0.691SS**  trans-60.6171.8166.154.50000112.3
251T33.1Very low32.4Very low127 Ų127127.6 Ų127.678%0.77970%0.699SS**  -168.714975.6-54.30000113.1
252T31.1Very low32.5Very low123 Ų123127.8 Ų127.876%0.75570%0.695SS**  trans-82170.1-178.4-42.50000112.9
253I32.6Very low32.5Very low140 Ų140124.8 Ų124.872%0.71869%0.689SS**  trans126.7120.6146.1-66.9170.2000116.3
254N29.8Very low32.5Very low129 Ų129125.4 Ų125.469%0.6968%0.684SS**  trans72.2118.2152-71.21.5000124.8
255N27.2Very low32.5Very low130 Ų130128 Ų12870%0.69568%0.684SS**  103.7143.9115.7-77.9-1.5000123.7
256T31.9Very low32.2Very low116 Ų116130 Ų13071%0.71270%0.699SS**  trans71.2109.6148.541.60000121.9
257N27Very low32.2Very low149 Ų149130.8 Ų130.880%0.79771%0.714SS**  37.5113.7119.1-55.3-6.1000120.2
258R32.5Very low32.6Very low229 Ų229132.8 Ų132.886%0.86473%0.733SS**  -171.7127.2117.5-103161.2178.6179-0.9110
259T33.1Very low32.4Very low110 Ų110131.2 Ų131.268%0.67575%0.748SS**  61.3142.9106.775.50000113.4
260D37.1Very low32.5Very low125 Ų125130.4 Ų130.467%0.66875%0.746SS**  cis-149.1169.624.6-76.2-86.7000108.9
261N34.6Very low32.6Very low144 Ų144131.6 Ų131.677%0.7775%0.749SS**  cis-152.8178.3-11.5-120.1-37.8000110.5
262S30.4Very low32.6Very low85 Ų85131 Ų13159%0.59475%0.75SS**  trans-102.2158.6-178.151.20000114.1
263F33.1Very low32.8Very low177 Ų177131 Ų13178%0.77675%0.754SS**  170.7117.1115-104.2-88.1000114.9
264N31.7Very low33Very low116 Ų116129.4 Ų129.462%0.6275%0.753SS**  trans41.7125.8137.1-636.6000124.9
265H31.8Very low33.1Very low169 Ų169130.5 Ų130.578%0.78276%0.758SS**  trans48.3116.2132.2-57.1-63.4000121.5
266S34.9Very low33.4Very low122 Ų122129.6 Ų129.685%0.85376%0.757SS**  -170.9147.897.1-76.60000113.1
267S33.5Very low33.6Very low115 Ų115132 Ų13280%0.80476%0.761SS**  trans-93.2173.9163.7-53.10000109.5
268P41.8Very low33.9Very low133 Ų133129.6 Ų129.686%0.86476%0.756SS**  cis-125.1172.1-0.640.8-26.4000114.1
269G31.5Very low33.8Very low81 Ų81124.1 Ų124.184%0.83575%0.751SS**  trans-167.4115.7174.400000112.8
270S33.7Very low33.8Very low99 Ų99125 Ų12569%0.69276%0.757SS**  trans-80152.4-175.252.30000114.7
271N32.6Very low34Very low145 Ų145129.5 Ų129.578%0.77576%0.764SS**  trans107.2146149.7-57.8-30.7000120.3
272S33.5Very low34.1Very low115 Ų115128.7 Ų128.780%0.80477%0.767SS**  trans60.2109.3161.745.70000119
273S33.6Very low34.1Very low121 Ų121131.5 Ų131.585%0.84678%0.775SS**  trans-62.3139.3163.8-49.30000112
274P37.3Very low34Very low107 Ų107128.1 Ų128.170%0.69577%0.773SS**  trans-84.9161.917235.7-35.6000112.5
275L32.1Very low34Very low152 Ų152128.1 Ų128.180%0.79678%0.777SS**  trans31.3135.4140.1-76.565.5000118.6
276T33.9Very low33.9Very low111 Ų111128.9 Ų128.968%0.68178%0.778SS**  cis-171179.232.9-100000113
277Q36.1Very low33.7Very low167 Ų167128.2 Ų128.278%0.7877%0.769SS**  trans79.880.5150-76.3168.463.300120.7
278S32.7Very low33.4Very low99 Ų99128.6 Ų128.669%0.69276%0.762SS**  24.2129.311362.90000122.2
279C30.1Very low32.9Very low114 Ų114131.4 Ų131.477%0.7776%0.761SS**  trans80.8112.9132.4-64.50000123
280T33.4Very low32.8Very low129 Ų129132.3 Ų132.379%0.79175%0.754SS**  trans58.6102.9134.455.80000122.2
281R41Very low32.6Very low218 Ų218133.3 Ų133.382%0.82376%0.761SS**  14.2139.1122.9-92-175.2170.4-150.4-3.4118.5
282P36.4Very low32.5Very low127 Ų127132 Ų13283%0.82576%0.764SS**  -142.3-171.880.539.7-23.9000117.2
283L30.7Very low32.5Very low145 Ų145133.1 Ų133.176%0.75976%0.761SS**  trans-75.7171-177.2-55.2162.2000111.8
284S30.7Very low32.4Very low106 Ų106133.4 Ų133.474%0.74175%0.753SS**  cis-156.4168.718.240.90000109.7
285V31.5Very low32.4Very low116 Ų116133.9 Ų133.970%0.70375%0.749SS**  175.2127.292.8146.80000109.6
286F30Very low32.4Very low185 Ų185133.4 Ų133.481%0.81175%0.748SS**  trans49.8163153.8-70.5-114000119.6
287T31.6Very low32.5Very low108 Ų108133.4 Ų133.466%0.66375%0.748SS**  cis-133.91425.644.70000112.4
288D27.7Very low32.3Very low123 Ų123131.9 Ų131.966%0.65875%0.745SS**  trans56147.8132.6-46.4-21.9000126.2
289F30.7Very low32.3Very low191 Ų191132.8 Ų132.884%0.83875%0.747SS**  trans82.9119.7153.9-75.1-65.4000123.8
290S30.2Very low32.5Very low100 Ų100135.2 Ų135.270%0.69975%0.75SS**  trans86.389.3137.7-61.40000121.4
291S27.9Very low32.6Very low120 Ų120133.3 Ų133.384%0.83975%0.748SS**  45.2114.3116.5-50.20000121
292S30.9Very low32.1Very low119 Ų119129.2 Ų129.283%0.83275%0.747SS**  -168.8164.9113.8-154.50000113.9
293N33.6Very low31.9Very low138 Ų138129.8 Ų129.874%0.73874%0.743SS**  trans-52170.5174.8-66.2-12.7000115.1
294N32.5Very low32Very low126 Ų126129.7 Ų129.767%0.67474%0.743SS**  cis-165.1172.626.8-140.4-3.3000115.6
295N35.7Very low32Very low117 Ų117132.2 Ų132.263%0.62675%0.749SS**  trans77.7120.1154.2-58.9-16.9000122.5
296N32.9Very low32.2Very low142 Ų142134.1 Ų134.176%0.75976%0.755SS**  trans61147.1131.7-59.7-4.3000120.7
297T35.4Very low32.3Very low112 Ų112132 Ų13269%0.68775%0.752SS**  cis-168.4137.2-4.317.20000105.9
298N33.6Very low32.5Very low135 Ų135133.2 Ų133.272%0.72275%0.753SS**  178.6129.571.9-95.3-24.3000106.9
299T31.9Very low32.8Very low118 Ų118135 Ų13572%0.72476%0.763SS**  62.411581.365.30000118.3
300I35.2Very low32.8Very low164 Ų164129.6 Ų129.684%0.84176%0.761SS**  trans177.6110140.1-88149.4000104.4
301A33.5Very low33.1Very low90 Ų90131.3 Ų131.374%0.74477%0.773SS**  cis90.8125.845.100000113.6
302T31.7Very low33.4Very low132 Ų132129.2 Ų129.281%0.8177%0.771SS**  trans-143.3131.6-177.9390000114
303N31.8Very low33.6Very low138 Ų138131.3 Ų131.374%0.73877%0.771SS**  trans47.7113.5148.7-58.60.2000121.7
304N32.1Very low34Very low143 Ų143130.4 Ų130.477%0.76577%0.77SS**  161.7133.1105.5-85.4-33.2000113.4
305N32.6Very low34.3Very low159 Ų159134 Ų13485%0.8577%0.774SS**  174.6163120.3-91.9-29.6000113
306N34.9Very low34.4Very low156 Ų156137.8 Ų137.883%0.83478%0.78SS**  trans-109.9138.2-166.3-69.8-49.9000114.5
307N32.2Very low34.8Very low142 Ų142139.6 Ų139.676%0.75978%0.781SS**  41124.4128.2-162.917.9000120.6
308I34.8Very low35Very low132 Ų132138.6 Ų138.668%0.67778%0.778SS**  166.1130.5122.6-86.7162.5000112.9
309N33.7Very low35.1Very low161 Ų161137.9 Ų137.986%0.86178%0.775SS**  trans57.9141.8159.7-64.7-9.9000122.6
310G31.9Very low35.5Very low78 Ų78137.6 Ų137.680%0.80477%0.773SS**  trans145.286152.700000117.5
311S35.7Very low35.7Very low135 Ų135135.3 Ų135.394%0.94477%0.766SS**  trans-63.6150.2174.6-47.40000114.2
312G34.3Very low35.8Very low77 Ų77138.2 Ų138.279%0.79477%0.769SS**  trans167.158.3166.800000121.6
313I36.5Very low35.9Very low163 Ų163135.6 Ų135.684%0.83676%0.761SS**  trans4.3116.7153.9-45.3172.1000118.3
314T41Very low36.1Very low119 Ų119134.2 Ų134.273%0.7376%0.758SS**  178137.2118.726.30000115
315R37.8Very low36.3Very low201 Ų201134 Ų13476%0.75876%0.762SS**  trans40.1142141.8-59.1-176.2178.8-162.61.3120.7
316R38.4Very low36.4Very low196 Ų196132.9 Ų132.974%0.7476%0.755SS**  cis-176.2143.7-3.3-113.6177.6-174.9-172.20108.7
317K41.4Very low36.5Very low181 Ų181130.7 Ų130.779%0.78775%0.751SS**  trans47166.1134.6-83.7-160.3169.8-143.80121
318S39.3Very low36.8Very low90 Ų90129.4 Ų129.463%0.62975%0.749SS**  cis-179.1158.9-6.441.70000107.4
319D37.1Very low36.9Very low120 Ų120128.4 Ų128.464%0.64275%0.749SS**  cis-158.9159.4-21.6-91.5-54.9000105.4
320T39.8Very low36.9Very low112 Ų112127.2 Ų127.269%0.68774%0.743SS**  68.4129.151-7.50000113.1
321V40Very low37Very low116 Ų116130 Ų13070%0.70374%0.739SS**  cis-152.1163.613.8-140.80000111.6
322D33.9Very low37Very low151 Ų151132 Ų13281%0.80774%0.736SS**  trans26.5-179.9133.9-67.5-3.2000124.3
323A34Very low37.1Very low77 Ų77133.6 Ų133.664%0.63673%0.73SS**  cis171.7-169.9-41.300000109.1
324T37.3Very low37Very low109 Ų109132.5 Ų132.567%0.66973%0.725SS**  trans83.3133.3155.275.60000123.7I326T324-I326 HydrophobicContact CG2-CD1 4.07Å
325T35.1Very low36.8Very low139 Ų139133.7 Ų133.785%0.85373%0.726SS**  -159.9131.112538.10000106
326I35.6Very low36.6Very low136 Ų136128.2 Ų128.270%0.69772%0.719SS**  cis87.9104.818.9-51.8176.5000115T324T324-I326 HydrophobicContact CG2-CD1 4.07Å
327S36.2Very low36.2Very low109 Ų109123.4 Ų123.476%0.76272%0.715SS**  trans179.7155.2172.6-77.20000108.8
328T39.6Very low35.9Very low115 Ų115121.1 Ų121.171%0.70672%0.717SS**  cis-165.5138.5-14.924.10000109.6
329T36.9Very low35.5Very low112 Ų112121.9 Ų121.969%0.68772%0.722SS**  trans43.6136.2143.661.80000122
330D34.1Very low35.2Very low135 Ų135124 Ų12472%0.72273%0.732SS**  cis-1661706.6-114.5-13.6000115.8
331N34.1Very low34.7Very low137 Ų137123.7 Ų123.773%0.73374%0.735SS**  trans68.299.5155.6-71.1-39.3000122.2
332M35.2Very low34.6Very low177 Ų177123.2 Ų123.287%0.87274%0.735SS**  -162123.7104.1-109.3-166.4-70.300113.6
333T36.3Very low34.5Very low110 Ų110123.7 Ų123.768%0.67573%0.731SS**  trans32104.9143.7-24.90000118.4
334I35.1Very low34.3Very low141 Ų141125.8 Ų125.872%0.72373%0.732SS**  61.3121.173.6-60.2169.9000110.4
335N36.3Very low34.1Very low143 Ų143129.7 Ų129.777%0.76574%0.736SS**  cis-154.8169.723-105.1-27.1000109.8
336S33.3Very low33.8Very low87 Ų87133.4 Ų133.461%0.60874%0.736SS**  cis-173.8142.1-33.1-102.10000112.6
337S30.3Very low33.7Very low94 Ų94133.7 Ų133.766%0.65774%0.744SS**  trans32.5130.4142.969.70000121.2
338T34.8Very low33.6Very low133 Ų133131.7 Ų131.782%0.81674%0.741SS**  162.6167.387.837.50000107.8
339S31Very low33.4Very low107 Ų107130.9 Ų130.975%0.74874%0.74SS**  cis-156-174.4-10.848.80000108.1
340L30.5Very low33.3Very low163 Ų163133.2 Ų133.285%0.85374%0.743SS**  trans-127.4144.2170.1-101.9170.4000111.3
341S28.6Very low33.4Very low106 Ų106133.5 Ų133.574%0.74174%0.743SS**  trans72.2159.1172.6-57.30000117.3
342P38.4Very low33.2Very low107 Ų107134.1 Ų134.170%0.69575%0.746SS**  cis-131.3-175.7-8.228-4.6000115.1
343H32.5Very low33Very low160 Ų160130.4 Ų130.474%0.74174%0.744SS**  trans67.4121.7169.3-69.5-84.1000118
344N30.1Very low32.8Very low121 Ų121132.7 Ų132.765%0.64775%0.752SS**  cis94144.418.8-158.313.6000115.4
345Y32.3Very low32.7Very low192 Ų192134.1 Ų134.175%0.75376%0.758SS**  trans81.5139.6179.4-56.3-72.9000118.9
346Y28Very low32.5Very low217 Ų217131.4 Ų131.485%0.85175%0.75SS**  trans-136.1157.9176.6-139.5-83.2000107.5
347T34.6Very low32.5Very low141 Ų141134.4 Ų134.487%0.86576%0.757SS**  trans78.9146.6176.873.70000117.5
348G32.9Very low32.6Very low68 Ų68135.9 Ų135.970%0.70176%0.763SS**  trans101.166.1-162.500000111.1
349S36.9Very low32.5Very low98 Ų98133.8 Ų133.869%0.68575%0.753SS**  59.5124.579.3-69.40000113.3
350E34.5Very low32.5Very low161 Ų161135.8 Ų135.875%0.75276%0.756SS**  cis-164.2158.64.8-129.2154.9-103.300114.4
351I34.9Very low32.5Very low141 Ų141132.9 Ų132.972%0.72375%0.749SS**  trans81.5125.5158.7-59.5158.6000120.1
352N31.9Very low32.5Very low149 Ų149135 Ų13580%0.79775%0.751SS**  trans75.1105.8156.8-80.8-4000124.3
353A31Very low32.2Very low99 Ų99138.1 Ų138.182%0.81876%0.758SS**  83.1160.7116.600000121.4
354N30.4Very low31.9Very low159 Ų159134.4 Ų134.485%0.8575%0.751SS**  trans-80.4158.9-172.7-85.5-22.5000114
355M33.8Very low31.8Very low171 Ų171138 Ų13884%0.84276%0.761SS**  trans79113.9164.4-66-161.771.100119.1
356S31.6Very low32.4Very low85 Ų85133.5 Ų133.559%0.59476%0.755SS**  119.1111.2121-770000120.6
357I34.1Very low32.6Very low150 Ų150128.5 Ų128.577%0.76975%0.747SS**  trans86.9148.6132.4-59.5165.6000118.3
358T32Very low32.8Very low126 Ų126129.3 Ų129.377%0.77374%0.741SS**  trans77.8136.8-176.270.60000116.6
359S33.2Very low32.9Very low89 Ų89130.9 Ų130.962%0.62274%0.742SS**  cis165.3128.5-39.8460000107.4
360D29.7Very low32.9Very low149 Ų149134.3 Ų134.380%0.79774%0.744SS**  trans73.4141.8151-55-25.4000123.4
361S31.5Very low33Very low101 Ų101133.3 Ų133.371%0.70674%0.743SS**  trans70.3127.1151.2-61.90000118.7
362L27.8Very low33.2Very low150 Ų150131.3 Ų131.379%0.78574%0.738SS**  62.7104.154.5-61.9169.3000113.3
363M32.9Very low33.3Very low173 Ų173131.5 Ų131.585%0.85273%0.734SS**  -175.4155.8116.6-98.1-68.810900110.9
364S26.5Very low33.5Very low83 Ų83132.5 Ų132.558%0.5873%0.73SS**  trans-88.5175.5-174.2-54.40000113.2
365F28.2Very low33.6Very low196 Ų196134.9 Ų134.986%0.8673%0.727SS**  trans76.1160155.3-63.8-55.2000118.3
366P44Very low33.4Very low97 Ų97130.7 Ų130.763%0.6372%0.72SS**  cis-136.9-163.1-26.430.3-8.4000112.8
367T33.2Very low33.5Very low113 Ų113133 Ų13369%0.69372%0.721SS**  trans74.6152.1153.658.80000118.4
368Q37Very low33.5Very low158 Ų158132 Ų13274%0.73872%0.722SS**  cis-152.9126.11.6-133.9166.298.300114.1
369S35.5Very low33.9Very low101 Ų101131.2 Ų131.271%0.70672%0.719SS**  trans63.1172141.978.40000118.8
370K37.8Very low33.7Very low169 Ų169132 Ų13274%0.73573%0.725SS**  cis-154.5134.75.4-154162.5179.1178.10111.2
371L36.5Very low34Very low141 Ų141131.3 Ų131.374%0.73873%0.726SS**  trans35.3153.8141.2-52.3177.6000120.8
372T38.3Very low34.1Very low98 Ų98134 Ų13460%0.60173%0.731SS**  cis-159.5-175.4-4.7190000107.1
373E35.3Very low34.7Very low153 Ų153132.2 Ų132.272%0.71573%0.728SS**  cis-148.6128.110.4-122.8121.9158.100105.3
374T33.9Very low34.6Very low121 Ų121127.9 Ų127.974%0.74272%0.72SS**  48.214592.663.20000116.4
375R33Very low35Very low208 Ų208130.1 Ų130.179%0.78574%0.736SS**  cis-170162.7-6.5153.6174.2165.8164.8-5.2109.1E377R375-E377 IonicContact CZ-OE1 3.27Å; R375-E377 VanDerWaalsContact CZ-OE1 3.27Å; R375-E377 IonicContact NE-OE1 2.99Å; R375-E377 PolarHBondContact NE-OE1 3.38Å; R375-E377 IonicContact NH2-OE1 2.69Å; R375-E377 PolarHBondContact NH2-OE1 3.31Å
376A28.7Very low34.9Very low83 Ų83128.1 Ų128.169%0.68673%0.734SS**  trans-74.4164.8175.900000114.6
377E33.7Very low34.8Very low135 Ų135128.7 Ų128.763%0.63174%0.737SS**  trans-177.1112.7141.9-102.9153.8-126.200109.7R375R375-E377 IonicContact CZ-OE1 3.27Å; R375-E377 VanDerWaalsContact CZ-OE1 3.27Å; R375-E377 IonicContact NE-OE1 2.99Å; R375-E377 PolarHBondContact NE-OE1 3.38Å; R375-E377 IonicContact NH2-OE1 2.69Å; R375-E377 PolarHBondContact NH2-OE1 3.31Å
378T35.2Very low34.8Very low128 Ų128127.5 Ų127.579%0.78573%0.734SS**  98156.689.948.10000113.9
379P41Very low34.5Very low110 Ų110128.2 Ų128.271%0.71474%0.742SS**  trans-125178.5-141.844.4-34.4000118.3
380S27.8Very low34.3Very low106 Ų106128.2 Ų128.274%0.74174%0.741SS**  trans74.2128.5148.767.50000121.2
381T35.7Very low34Very low134 Ų134126.7 Ų126.782%0.82274%0.741SS**  trans179.5152.6132.1-74.50000109.9
382I33.6Very low33.6Very low158 Ų158125.2 Ų125.281%0.8174%0.737SS**  trans-115.5127.2178.1-65.3166.9000109.4
383P41Very low33.3Very low112 Ų112126.9 Ų126.973%0.72775%0.747SS**  -136.1145.6115.418.32.8000111.6
384A29.8Very low33.3Very low82 Ų82123.5 Ų123.568%0.67874%0.741SS**  cis72.596.248.600000114.5
385S35.1Very low33Very low130 Ų130124.8 Ų124.891%0.90974%0.743SS**  trans-175.1144143.4-79.80000113
386D27Very low33Very low154 Ų154123.7 Ų123.782%0.82475%0.745SS**  trans-64.4172.3168.6-100.4-66.5000113.1
387P42.1Very low33.1Very low108 Ų108125.3 Ų125.370%0.70175%0.746SS**  cis-153.6179.242.945.3-24000120.6
388S32Very low32.8Very low88 Ų88124.4 Ų124.462%0.61575%0.75SS**  trans19128.1149.462.30000119.8
389L31.2Very low32.5Very low174 Ų174123.5 Ų123.591%0.91175%0.749SS**  cis73.967.536.6-144175.4000114.8
390C32.4Very low31.9Very low101 Ų101122.6 Ų122.668%0.68275%0.751SS**  trans-172.4158.7159.552.90000106.7
391D31Very low32.1Very low137 Ų137124.2 Ų124.273%0.73375%0.746SS**  cis-147.7137.1-16.2-108.3-33.9000106
392T28.2Very low32.2Very low109 Ų109125 Ų12567%0.66974%0.738SS**  77.5143.874.8-57.10000113.8
393T32.6Very low31.9Very low133 Ų133123.9 Ų123.982%0.81673%0.734SS**  trans67148.4172.732.90000117.7
394S34Very low32Very low83 Ų83128.1 Ų128.158%0.5874%0.741SS**  cis-160.4143.3-5.152.90000112.8
395N28.6Very low32.2Very low147 Ų147129.6 Ų129.679%0.78674%0.738SS**  trans49.5-177.9134.7-59.8-9.8000121
396F32.9Very low32.4Very low186 Ų186129.9 Ų129.982%0.81673%0.729SS**  trans75.393.6177.9-65-75.7000117.4
397T29.4Very low32.6Very low116 Ų116128.3 Ų128.371%0.71272%0.721SS**  trans-36.8158.9144.348.50000115.6
398T29.2Very low32.5Very low117 Ų117129.4 Ų129.472%0.71873%0.726SS**  trans68.4107.3146.346.90000120.2
399S28.4Very low32.8Very low109 Ų109129.7 Ų129.776%0.76273%0.728SS**  86.8146.5119.9-57.90000120.4
400A28.8Very low33Very low91 Ų91127.4 Ų127.475%0.75272%0.721SS**  trans73.4141.2154.400000116.4
401E30.9Very low33.4Very low139 Ų139131.1 Ų131.165%0.6573%0.725SS**  cis-164.6173.8-1.1-129.7-171.3137.600113.5
402K39Very low33.5Very low150 Ų150131.7 Ų131.765%0.65273%0.727SS**  trans62.1101.7153-73155.1176.6138.80116.9
403N27.3Very low33.8Very low136 Ų136132.7 Ų132.773%0.72773%0.728SS**  65.1110.862-56.4-20000115.1
404K42.7Very low34Very low201 Ų201136.1 Ų136.187%0.87473%0.726SS**  -142122.4125.5-90.5165.5-177175.80105.2
405N33Very low33.9Very low113 Ų113138.9 Ų138.960%0.60474%0.735SS**  65.7132.561.9-64.736.5000110.1
406D38.8Very low34.3Very low135 Ų135139.6 Ų139.672%0.72274%0.737SS**  cis-153.7176.932.7-87.9-58.6000110.8
407N32.3Very low34.3Very low122 Ų122133.1 Ų133.165%0.65272%0.722SS**  cis-171.6-174.3-42.7-128.4-50.2000108.8
408T40.1Very low34.6Very low131 Ų131133.7 Ų133.780%0.80473%0.726SS**  trans99.1135.4176.469.30000116.4
409S38Very low34.9Very low94 Ų94133.5 Ų133.566%0.65772%0.724SS**  cis-163139.2-5.7-101.90000114.2
410T36Very low35Very low125 Ų125134.7 Ų134.777%0.76772%0.722SS**  trans62.4155.7150.560.30000120.2
411K39.5Very low35.1Very low180 Ų180136.2 Ų136.278%0.78372%0.722SS**  cis-158.2120.71.7-128.4168-175.8176.50113.6
412I34.2Very low35.3Very low149 Ų149135.4 Ų135.476%0.76473%0.727SS**  trans27.1116.5132.9-51.4170.1000121.4
413N34.7Very low35Very low129 Ų129133.9 Ų133.969%0.6973%0.731SS**  trans164.1138.4135.3-91.9-31.4000108.8
414R36.3Very low35.2Very low205 Ų205133.9 Ų133.977%0.77473%0.73SS**  cis-154.1155-7.1-94.6169.8-166.1170.6-1.3109.9
415N32.4Very low34.7Very low142 Ų142130.1 Ų130.176%0.75972%0.72SS**  trans16.1137141.9-59.321.5000118.8
416I35.7Very low34.7Very low162 Ų162130.7 Ų130.783%0.83172%0.723SS**  cis-139.8156.711.6-71.3101.5000106.1
417G34.3Very low34.5Very low50 Ų50129.3 Ų129.352%0.51572%0.724SS.*  cis1271161700000108.7
418T35.1Very low34.7Very low128 Ų128132.3 Ų132.379%0.78573%0.734SS**  62132.392.959.40000114.6
419T34.6Very low34.2Very low112 Ų112131.4 Ų131.469%0.68773%0.729SS**  cis-170.9160.24.811.60000111.5
420N30.5Very low34Very low135 Ų135133.6 Ų133.672%0.72273%0.732SS**  trans53.1126.5143.6-59-0.5000123.5
421T32Very low33.7Very low122 Ų122132.6 Ų132.675%0.74873%0.73SS**  trans56.5128.5137.257.50000122.7
422T33.9Very low33.3Very low122 Ų122128.5 Ų128.575%0.74872%0.724SS**  trans67.2111151.645.10000120.4
423T32.7Very low33.2Very low119 Ų119129 Ų12973%0.7373%0.725SS**  trans65106.6144.255.30000121.2
424N31.4Very low33.2Very low135 Ų135128.8 Ų128.872%0.72272%0.724SS**  68.9143.2129.8-66.550.8000119.2
425D33.4Very low33Very low123 Ų123126 Ų12666%0.65873%0.725SS**  cis-159.1168.48.4-126.9-31000115.4
426N33.7Very low33.5Very low124 Ų124124.1 Ų124.166%0.66372%0.72SS**  trans83.8141.2152.6-77.9-49.8000125.2
427S34.6Very low33.3Very low107 Ų107121.6 Ų121.675%0.74872%0.717SS**  trans67.8127.9173.175.80000116.4
428Q35.3Very low33Very low185 Ų185123.3 Ų123.386%0.86472%0.721SS**SBendcis-133.9141.25.2-64.6179.55.500109.2
429T30.9Very low32.8Very low112 Ų112126.1 Ų126.169%0.68772%0.723SS**  cis-138.7124.3-8.245.20000108.4
430L31.7Very low32.6Very low140 Ų140126.8 Ų126.873%0.73373%0.726SS**  54.7127.8103.8-54162.5000115.1
431S30.6Very low32.5Very low103 Ų103125 Ų12572%0.7273%0.725SS**  cis-171.1-171.5-13.3530000106.9
432S31.7Very low32.3Very low94 Ų94126.7 Ų126.766%0.65773%0.729SS**  cis-159159.714.8-56.60000112.1
433M30.8Very low32Very low160 Ų160126 Ų12679%0.78874%0.735SS**  trans53.4117.8143.8-67.8176.376.500124.2
434N34.5Very low32.1Very low125 Ų125128.6 Ų128.667%0.66874%0.742SS**  57121121.5-55.9-2.7000124.1
435N33.5Very low32.1Very low147 Ų147130 Ų13079%0.78675%0.748SS**  70.3154.4129.5-74.2-2.9000122.2
436P42.2Very low31.9Very low102 Ų102130.9 Ų130.966%0.66275%0.753SS**  cis-142173.7-32.239-22.2000115.9
437S31.4Very low31.9Very low109 Ų109132.2 Ų132.276%0.76276%0.76SS**  trans74.3152.914773.50000120.7
438S29.4Very low31.8Very low85 Ų85133.7 Ų133.759%0.59476%0.759SS**  cis179.7155.4-32.356.60000111.2
439F29.6Very low31.6Very low188 Ų188131.6 Ų131.683%0.82575%0.749SS**  trans64.5158155-68.7-55.6000117.6
440T30.6Very low31.7Very low125 Ų125133.6 Ų133.677%0.76775%0.748SS**  cis-148.6179.7-43-7.90000109.5
441S28Very low31.7Very low98 Ų98132.2 Ų132.269%0.68575%0.746SS**  trans-71.7164-177.8-38.50000116.6
442N28.2Very low31.9Very low158 Ų158135.9 Ų135.985%0.84575%0.751SS**  trans105.1129.3145.2-62.4-18000121.7
443A28.4Very low32.4Very low106 Ų106137.2 Ų137.288%0.87676%0.758SS**  trans79.8153.6138.200000121.9
444M33.3Very low32.9Very low175 Ų175135 Ų13586%0.86276%0.755SS**  trans-90.9152.2178.2-57.2167.3167.200111.6
445L31.7Very low32.7Very low163 Ų163137.3 Ų137.385%0.85376%0.762SS**  175.6171.5111.8-95.4165.6000112.9
446N30.8Very low32.5Very low142 Ų142135.9 Ų135.976%0.75976%0.759SS**  trans-94.3151.2-169.2-56.4-40000114.1
447N32.5Very low31.6Very low152 Ų152141.9 Ų141.981%0.81377%0.768SS**  trans165.8154.3142.6-87.4-28.7000109.7
448L33.7Very low31.5Very low138 Ų138142.4 Ų142.472%0.72376%0.761SS**  cis-170.1133.3-21.617461.3000108.4
449E30.8Very low31.7Very low141 Ų141145.1 Ų145.166%0.65977%0.768SS**  trans64.5153.2171.2-72.2-170.1153.200117.8
450K31.7Very low31.7Very low154 Ų154140.2 Ų140.267%0.6776%0.757SS**  cis-153.9169.43-130.6159.7-171.3145.90113.1
451T31.7Very low31.8Very low112 Ų112141.5 Ų141.569%0.68775%0.754SS**  trans6697.9159.753.60000122.5
452H35.9Very low31.9Very low179 Ų179140 Ų14083%0.82974%0.743SS**  35.9161.7124-48.8-62.3000123.5
453P41.2Very low32.6Very low123 Ų123136.7 Ų136.780%0.79973%0.73SS**  cis-126.6-176.9-1.523.61.7000115.3
454P41.2Very low32.9Very low114 Ų114135.2 Ų135.274%0.7472%0.718SS**  trans-118.6165.7-173.641.3-30.9000116.6
455E30Very low32.9Very low172 Ų172132.3 Ų132.380%0.80472%0.715SS**  168.5158.9126.5-94.5-172.816900114.8
456T29.5Very low33.1Very low117 Ų117129.2 Ų129.272%0.71871%0.707SS**  trans35.6149.8154.655.10000122.4
457W23.8Very low33.3Very low229 Ų229127 Ų12787%0.86770%0.703SS**  cis168.1140.8-19.4-117.421.8000106.8
458I29.8Very low33.4Very low120 Ų120129 Ų12962%0.61570%0.704SS**  trans82109.5142.6-69.3177.6000122.7
459I32.4Very low33.5Very low142 Ų142127 Ų12773%0.72870%0.702SS**  64.8142.2126.6-66.2-178.5000120.6
460S30.1Very low33.4Very low84 Ų84125.8 Ų125.859%0.58771%0.708SS**  cis-175.6-171.5-9-91.70000112.3
461H32.3Very low33.3Very low153 Ų153124 Ų12471%0.70871%0.714SS**  trans99.5151.2155.3-52.1-67.4000118
462S31.2Very low33.4Very low65 Ų65127.3 Ų127.346%0.45572%0.722SS.*  cis159.7164.6-27.5-930000109.1Q995S462-Q995 PolarHBondContact O-OE1 2.85Å
463P42.8Very low33.4Very low89 Ų89124.9 Ų124.958%0.57872%0.722SS**  cis-122.9-139.9-14.637.4-15.4000109.8Q994 Q995P463-Q994 VanDerWaalsContact C-NE2 3.34Å; P463-Q994 PolarHBondContact O-NE2 3.04Å; P463-Q994 VanDerWaalsContact O-NE2 3.12Å; P463-Q995 PolarHBondContact O-NE2 3.04Å; P463-Q995 PolarHBondContact O-OE1 2.68Å
464A34.1Very low33.5Very low76 Ų76125.1 Ų125.163%0.62872%0.724SS**  cis-164.9168.6-1.200000111.4
465S34.3Very low33.3Very low113 Ų113125 Ų12579%0.7973%0.725SS**  trans59.7141.4149.752.10000122.2
466S35.1Very low33.8Very low99 Ų99122.4 Ų122.469%0.69272%0.724SS**  cis-171.5140.9-750.10000114.2
467S34.6Very low34.8Very low95 Ų95122.5 Ų122.566%0.66473%0.726SS**  trans64.9152.9147.2-54.30000118.8
468F36Very low36.2Very low194 Ų194117.1 Ų117.185%0.85172%0.721SS**  cis-143174.28.3-82.4-63.8000107.4
469S34.1Very low36.9Very low95 Ų95116.8 Ų116.866%0.66473%0.727SS**  cis-173.2168.5-8-104.80000106.8
470C28.4Very low37Very low116 Ų116116 Ų11678%0.78473%0.731SS**  cis-169.6156.8-2457.10000108
471S30.3Very low37.2Very low116 Ų116118.8 Ų118.881%0.81174%0.738SS**  trans-134.5150.7178.9-65.50000112.7
472Q33.1Very low36.9Very low183 Ų183116.2 Ų116.286%0.85574%0.744SS**  trans29.5123.7160.2-69.3-178.1-45.500121
473P36.3Very low36.9Very low128 Ų128120.2 Ų120.283%0.83176%0.757SS**  trans-97.9146.6161.236.8-30.5000113.3
474P44.4Very low36.4Very low127 Ų127122.3 Ų122.383%0.82577%0.768SS**  trans-119.4160.9145.935.5-27.5000112.9
475S35.7Very low36.3Very low111 Ų111126.4 Ų126.478%0.77678%0.776SS**PPolyproline II helixtrans-63.2148-168.550.40000117
476P41.2Very low36.3Very low119 Ų119127 Ų12777%0.77378%0.775SS**PPolyproline II helixtrans-86.4146.717335.2-34.4000113.6
477P51.3Low36.3Very low118 Ų118128.5 Ų128.577%0.76678%0.78SS**PPolyproline II helixtrans-83.7151.4162.434.1-32.7000111.9
478P51.7Low36.2Very low117 Ų117130.1 Ų130.176%0.7679%0.786SS**PPolyproline II helixtrans-78.9145.1-179.931.7-35000113
479P46.2Very low36.1Very low113 Ų113126.8 Ų126.873%0.73478%0.782SS**PPolyproline II helixtrans-86.9135.9-177.233-34.2000113.5
480P34.6Very low36Very low125 Ų125130.4 Ų130.481%0.81279%0.79SS**  trans-90.6108.216333.1-28000110.2
481L32.5Very low36.2Very low142 Ų142129.7 Ų129.774%0.74379%0.787SS**  trans-132.5105.1171.6-76.1177.1000111.5
482A27.7Very low36.1Very low100 Ų100128.8 Ų128.883%0.82678%0.78SS**  trans-88.4130.5152.600000108.1
483M30.3Very low36.1Very low149 Ų149128.9 Ų128.973%0.73478%0.781SS**  trans-134.991.9168.8-85.7-165.4160.600110.6M485M483-M485 HydrophobicContact SD-CE 4.35Å
484T32.3Very low35.9Very low132 Ų132130.6 Ų130.681%0.8178%0.782SS**  trans-71.7120.1153.8-55.10000107.4
485M32Very low35.4Very low162 Ų162127.3 Ų127.380%0.79877%0.772SS**  trans-76.5140172-81.1-68.317400110.8M483M483-M485 HydrophobicContact SD-CE 4.35Å
486T35.1Very low35.1Very low125 Ų125126.9 Ų126.977%0.76777%0.768SS**  trans-109.6134.4-16632.60000114
487T33.8Very low34.7Very low131 Ų131128.4 Ų128.480%0.80477%0.77SS**  trans-131.8136.3147.4530000106.6
488T34Very low33.6Very low129 Ų129127.6 Ų127.679%0.79177%0.767SS**  cis-146.61569.5-27.30000110.7
489V33.1Very low32.8Very low125 Ų125129.4 Ų129.476%0.75877%0.77SS**  trans-67.7161155.6-70.40000109.3
490M32.7Very low32.3Very low171 Ų171130.9 Ų130.984%0.84277%0.77SS**  cis-146.6174.236.5-55-179.174.800114.8
491S32Very low32.4Very low101 Ų101129.4 Ų129.471%0.70676%0.763SS**  trans-33.6146.9160.1-52.70000115.6
492S28.9Very low32.4Very low96 Ų96127.9 Ų127.967%0.67177%0.765SS**  cis88.1135.42785.60000116.4
493Q31.8Very low32.6Very low185 Ų185128.1 Ų128.186%0.86476%0.76SS**  trans77.6138.8-179.6-54.2178.4-900114
494L33.4Very low32.9Very low164 Ų164125.3 Ų125.386%0.85976%0.755SS**  cis-153.2166.90.8-160.960000107.8
495G33.2Very low33Very low59 Ų59121.4 Ų121.461%0.60873%0.733SS**  cis-136.6-150.42.600000111.9
496S29.2Very low33.2Very low101 Ų101118.9 Ų118.971%0.70672%0.722SS**  cis79.2120.814.9-46.80000114.8
497N33Very low33.2Very low152 Ų152118.8 Ų118.881%0.81371%0.713SS**  cis-161.7166.910.3-91.2-18.4000109.2
498S28.5Very low33.2Very low101 Ų101116.1 Ų116.171%0.70670%0.699SS**  cis-164.2-121.8-12.956.70000110.1
499L34.8Very low33.2Very low154 Ų154114.9 Ų114.981%0.80670%0.696SS**  trans69130.2-175.4-46.6173.3000114.6
500L36.2Very low33.2Very low144 Ų144115 Ų11575%0.75470%0.697SS**  cis-152.81482.7-150.383.5000111.5
501S36.7Very low33.3Very low94 Ų94116.5 Ų116.566%0.65770%0.698SS**  trans40.2127.3155.9-57.10000121.9
502S31.6Very low33.4Very low111 Ų111117.1 Ų117.178%0.77670%0.703SS**  68.7134.261.4-51.10000113.2
503S32.8Very low34Very low105 Ų105118.9 Ų118.973%0.73471%0.712SS**  cis-160.6179.725.1-60.70000114
504S35Very low34Very low90 Ų90114.7 Ų114.763%0.62970%0.703SS**  trans66.8128.7155.336.70000119.4
505S34.4Very low34Very low50 Ų50115.4 Ų115.435%0.3570%0.704SS.*  71.5133.353.4780000113.5
506I37.6Very low34.1Very low108 Ų108119.6 Ų119.655%0.55471%0.711SS**  cis-156170.145.1-75-176000112.3L247L247-I506 HydrophobicContact CD1-CG1 4.47Å; L247-I506 HydrophobicContact CD1-CG2 4.35Å; L247-I506 HydrophobicContact CD2-CD1 4.21Å; L247-I506 HydrophobicContact CD2-CG1 3.84Å; L247-I506 HydrophobicContact CG-CG1 4.2Å
507Q34.1Very low34.3Very low124 Ų124119.3 Ų119.358%0.57971%0.709SS**  trans-21.7163154.1-64.5167.7-36.400118.9M246 L247M246-Q507 PolarHBondContact O-N 2.99Å; L247-Q507 HydrophobicContact CD1-CG 4.38Å
508S33.7Very low34.6Very low74 Ų74116.9 Ų116.952%0.51770%0.704SS.*  cis-180153.1-1754.60000111
509S34.7Very low35Very low103 Ų103117.2 Ų117.272%0.7270%0.702SS**  trans57.1147.6154.459.60000119.9
510V33.1Very low35.1Very low128 Ų128116 Ų11678%0.77670%0.697SS**  cis-158.2155.32.5-111.40000109.8
511K34.8Very low35.1Very low202 Ų202114.8 Ų114.888%0.87870%0.695SS**  trans50.3131.7155-68.4-177.2176.3179.50121
512S34.9Very low35.1Very low114 Ų114114.9 Ų114.980%0.79770%0.696SS**  trans-67158.4178-28.30000115.1
513P40.2Very low35.3Very low133 Ų133115.2 Ų115.286%0.86469%0.693SS**  -133.8-179.1109.739.1-30.7000113.8
514S33.1Very low35.3Very low97 Ų97117.9 Ų117.968%0.67870%0.699SS**  trans-122.5162-168.7-51.90000114.2
515M31.8Very low35.2Very low179 Ų179118.2 Ų118.288%0.88270%0.701SS**  trans71.6167.7171.2-50.7-64.3174.600113.4
516I35.4Very low35.6Very low147 Ų147121.1 Ų121.175%0.75472%0.719SS**  cis-152.9146.732-62.3169.2000111.7
517S34.1Very low35.4Very low96 Ų96122.1 Ų122.167%0.67173%0.729SS**  trans67.3164.8159.7-73.60000118.9
518S38.9Very low35.2Very low101 Ų101121.9 Ų121.971%0.70674%0.736SS**  cis-140.7125.517.1-40.20000112.6
519T36.8Very low35.4Very low108 Ų108123.7 Ų123.766%0.66375%0.745SS**  62145.499.774.60000116.4
520N37.9Very low35.4Very low129 Ų129123.1 Ų123.169%0.6974%0.741SS**  cis-167.314944.6-122.6-20.4000113
521T35.2Very low35.5Very low117 Ų117124.2 Ų124.272%0.71874%0.741SS**  trans46.1160.614759.90000120.3
522S36.6Very low35.2Very low97 Ų97118.3 Ų118.368%0.67873%0.726SS**  cis-175.2160.519.93.60000108.2
523T35.9Very low35.1Very low118 Ų118121.3 Ų121.372%0.72473%0.725SS**  cis-170.9151.5-17.519.30000110.2
524L33.8Very low34.5Very low161 Ų161120 Ų12084%0.84372%0.719SS**  trans72.2129.8149.9-67.9164.1000123.5
525S32.7Very low34.6Very low97 Ų97120.8 Ų120.868%0.67872%0.724SS**  trans-58-174.6153.857.80000114.2
526P42.5Very low34.8Very low111 Ų111117.7 Ų117.772%0.72172%0.72SS**  cis-148.2-150.518.439.2-13.7000116.2
527V33.9Very low35.2Very low128 Ų128115.8 Ų115.878%0.77672%0.717SS**  trans110.5139.6158.4-1740000117.4
528T30Very low35Very low119 Ų119116.3 Ų116.373%0.7372%0.721SS**  trans-65.8174.4-178.953.80000112.8
529T36.8Very low34.8Very low113 Ų113116.4 Ų116.469%0.69372%0.721SS**  -179.4163.669.3-47.70000111.9
530S35.8Very low34.7Very low91 Ų91116.1 Ų116.164%0.63672%0.724SS**  trans72.4123.9148.843.20000122.3
531L35.3Very low34.5Very low150 Ų150117.6 Ų117.679%0.78573%0.727SS**  59.5116.2129.6-52.3170.9000118.2
532S27.3Very low34.4Very low79 Ų79119.7 Ų119.755%0.55273%0.733SS**  cis84.4159.747.782.50000115.1
533F34Very low34.2Very low177 Ų177118.7 Ų118.778%0.77673%0.73SS**  trans75.5126.9-166.2-51.8-74.3000112.5
534S26.5Very low34.1Very low105 Ų105121.1 Ų121.173%0.73474%0.737SS**  68132.252.5-49.10000110.9
535S34.7Very low34.3Very low113 Ų113119 Ų11979%0.7973%0.731SS**  cis-152.816531.4-59.90000113.5
536S36.1Very low34.5Very low115 Ų115119 Ų11980%0.80473%0.731SS**  trans-89.1139.4165.954.90000113
537P43.7Very low34.1Very low107 Ų107122.9 Ų122.970%0.69574%0.737SS**  trans-124.3128.5139.734.2-23.4000109.9
538S30.4Very low34.1Very low107 Ų107124 Ų12475%0.74874%0.737SS**  54.2126.772.373.60000112.9
539S34.6Very low34.5Very low102 Ų102123.4 Ų123.471%0.71374%0.735SS**  cis-153.6159.824.7-49.40000113.4
540S35.1Very low34.2Very low103 Ų103123.4 Ų123.472%0.7274%0.739SS**  trans56.1142147.6-57.80000120.9
541Q34Very low34Very low160 Ų160123.6 Ų123.675%0.74874%0.741SS**  cis-167142.8-3.4-116.4178-6.300109.3
542L32Very low34Very low160 Ų160124.5 Ų124.584%0.83874%0.741SS**  trans62.7149150.6-56.6169.8000119.5
543A32.2Very low34Very low76 Ų76127.6 Ų127.663%0.62875%0.747SS**  cis-165.2140.5-18.200000113.6
544I34.2Very low33.8Very low169 Ų169128.3 Ų128.387%0.86775%0.746SS**  trans74.9135.7147.3-62.2163.9000120.7
545T37.8Very low33.7Very low118 Ų118129 Ų12972%0.72475%0.745SS**  trans-93.9138.6-17443.90000113.2
546S38.4Very low33.5Very low96 Ų96129.5 Ų129.567%0.67174%0.744SS**  61.6112.468.8750000114.8
547F32.5Very low33.1Very low193 Ų193129 Ų12985%0.84674%0.741SS**  cis88.693.538.4-79.1-83.1000117
548I35Very low32.5Very low152 Ų152129 Ų12978%0.77974%0.744SS**  trans42.4-179.6142.133170.3000121.5
549P39.1Very low32.6Very low106 Ų106129.2 Ų129.269%0.68875%0.745SS**  cis-130.9171.9-12.320.74.6000117.6
550S28.8Very low32.5Very low112 Ų112129.9 Ų129.978%0.78375%0.745SS**  trans13.4154.3141.6-38.60000122.4
551S31.9Very low32.4Very low95 Ų95130.7 Ų130.766%0.66475%0.745SS**  cis-176.3170.143.959.20000115.3
552Q34.9Very low32.2Very low169 Ų169128.7 Ų128.779%0.7974%0.744SS**  trans68.4121.9164.8-51.3-16959.600117.2
553Q28.3Very low32.3Very low145 Ų145128.3 Ų128.368%0.67875%0.749SS**  cis92.4100.646.5-79.4-166.8-7.200114.9
554Y28.6Very low32.2Very low191 Ų191130.8 Ų130.875%0.74976%0.756SS**  169.3148.1106.9-94.8-67.8000115.9
555T26.3Very low32.2Very low119 Ų119129.7 Ų129.773%0.7376%0.757SS**  trans67.1127.8154.4470000124.2
556T29.2Very low31.9Very low125 Ų125129.7 Ų129.777%0.76776%0.763SS**  trans71.9110.5148.234.90000123.1
557S27.4Very low31.8Very low104 Ų104131.4 Ų131.473%0.72777%0.769SS**  trans86.5128.9133.3-56.50000121.3
558S31Very low32Very low108 Ų108130.2 Ų130.276%0.75577%0.77SS**  trans62106.1160.131.30000119.6
559S33Very low32.2Very low110 Ų110130 Ų13077%0.76977%0.769SS**  trans10.9134.913456.40000118.5
560T32Very low32Very low117 Ų117129.9 Ų129.972%0.71877%0.768SS**  cis-143.4177.739.450.70000110.8
561T34.3Very low32.2Very low119 Ų119131 Ų13173%0.7376%0.761SS**  cis-145.9154.925.446.20000114.6
562T29.2Very low32.3Very low119 Ų119135.8 Ų135.873%0.7376%0.764SS**  trans8.8123.8154.558.30000122.1
563T34.2Very low32.3Very low151 Ų151137.2 Ų137.293%0.92676%0.763SS**  -138.5154.3123.233.50000109.2
564T30.9Very low32.5Very low129 Ų129132.3 Ų132.379%0.79174%0.744SS**  trans-119.2133-16349.50000114.4
565T33.9Very low33.1Very low145 Ų145130.3 Ų130.389%0.8975%0.751SS**  trans-137.2128.2153.632.30000109
566S31Very low34.1Very low119 Ų119125.3 Ų125.383%0.83272%0.724SS**  trans-107.3114.5-16838.50000112.5
567T37.1Very low35.3Very low132 Ų132122.1 Ų122.181%0.8170%0.704SS**  trans-83.1143.6161.644.90000110.3I569T567-I569 PolarHBondContact O-N 3.36Å
568I36Very low36.4Very low167 Ų167122.4 Ų122.486%0.85670%0.698SS**  trans-76.3107.4-171.1-59.8169.9000110.4
569I39.1Very low37.6Very low148 Ų148120.5 Ų120.576%0.75968%0.681SS**  trans-90.5121.3163.6-58.8177.8000108T567 E571T567-I569 PolarHBondContact O-N 3.36Å; I569-E571 PolarHBondContact O-N 2.95Å
570P35.4Very low38.2Very low104 Ų104118.6 Ų118.668%0.67566%0.662SS**  trans-73.8108.1177.628.8-32.8000110.4R572P570-R572 PolarHBondContact O-N 3.12Å
571E32.6Very low39Very low135 Ų135118 Ų11863%0.63165%0.654SS**  trans-69.868.8-179.3-161.2-157.5176.100113I569 R573I569-E571 PolarHBondContact O-N 2.95Å; E571-R573 VanDerWaalsContact C-N 3.33Å; E571-R573 HydrophobicContact CG-CG 4.22Å; E571-R573 PolarHBondContact O-N 2.77Å; E571-R573 VanDerWaalsContact O-N 3.08Å; E571-R573 WeakPolarHBondContact OE1-CG 3.1Å; E571-R573 IonicContact OE1-CZ 2.65Å; E571-R573 IonicContact OE1-NE 3.21Å; E571-R573 PolarHBondContact OE1-NE 3.3Å; E571-R573 IonicContact OE1-NH2 2.68Å; E571-R573 PolarHBondContact OE1-NH2 3.49Å; E571-R573 IonicContact OE2-CZ 3.36Å; E571-R573 IonicContact OE2-NE 3.67Å; E571-R573 IonicContact OE2-NH2 2.69Å; E571-R573 PolarHBondContact OE2-NH2 3.47Å
572R34.9Very low39.7Very low196 Ų196118.4 Ų118.474%0.7465%0.652SS**  trans-77.686.3163.6-75.7-169.5174.1-163.8-0.3109P570 C574P570-R572 PolarHBondContact O-N 3.12Å; R572-C574 VanDerWaalsContact C-N 3.33Å; R572-C574 PolarHBondContact O-N 3.12Å; R572-C574 PolarHBondContact O-SG 2.81Å; R572-C574 VanDerWaalsContact O-SG 3.33Å
573R34.7Very low40.5Very low199 Ų199119.5 Ų119.575%0.75165%0.653SS**  trans-52.498.2167-67.1-175.9-166128.523.9109.8E571E571-R573 VanDerWaalsContact C-N 3.33Å; E571-R573 HydrophobicContact CG-CG 4.22Å; E571-R573 PolarHBondContact O-N 2.77Å; E571-R573 VanDerWaalsContact O-N 3.08Å; E571-R573 WeakPolarHBondContact OE1-CG 3.1Å; E571-R573 IonicContact OE1-CZ 2.65Å; E571-R573 IonicContact OE1-NE 3.21Å; E571-R573 PolarHBondContact OE1-NE 3.3Å; E571-R573 IonicContact OE1-NH2 2.68Å; E571-R573 PolarHBondContact OE1-NH2 3.49Å; E571-R573 IonicContact OE2-CZ 3.36Å; E571-R573 IonicContact OE2-NE 3.67Å; E571-R573 IonicContact OE2-NH2 2.69Å; E571-R573 PolarHBondContact OE2-NH2 3.47Å
574C31.5Very low40.9Very low42 Ų42115.2 Ų115.228%0.28463%0.629SS.*  trans-101.7120.9162.3-54.60000104.3R572 G576 T602 R647R572-C574 VanDerWaalsContact C-N 3.33Å; R572-C574 PolarHBondContact O-N 3.12Å; R572-C574 PolarHBondContact O-SG 2.81Å; R572-C574 VanDerWaalsContact O-SG 3.33Å; C574-G576 PolarHBondContact O-N 3.47Å; C574-T602 HydrophobicContact CB-CG2 4.12Å; C574-R647 PolarHBondContact SG-NH2 3.36Å
575T42.3Very low41.5Very low148 Ų148116.1 Ų116.191%0.90862%0.622SS**  trans-74.457.5171.752.10000109.3
576G45.7Very low41.6Very low15 Ų15113.8 Ų113.816%0.15562%0.618CS.*  trans-83.1157.2173.600000110.5C574 N578 T602C574-G576 PolarHBondContact O-N 3.47Å; G576-N578 PolarHBondContact O-N 3.23Å; G576-T602 CarbonylContact C-O 3.42Å; G576-T602 WeakPolarHBondContact CA-O 3.36Å
577V54.6Low42.1Very low57 Ų57113.5 Ų113.535%0.34561%0.611SS.*EExtended strand (participates in β ladder)trans-67.199.6169.8-177.10000107.2T579 T601 T602 I603 C604V577-T579 VanDerWaalsContact C-N 3.31Å; V577-T579 HydrophobicContact CG1-CG2 3.9Å; V577-T579 PolarHBondContact O-N 3.48Å; V577-T601 HydrophobicContact CG2-CG2 3.78Å; V577-T602 PolarHBondContact N-O 3.24Å; V577-I603 HydrophobicContact CB-CG2 4.42Å; V577-I603 WeakPolarHBondContact O-CG2 3.29Å; V577-C604 PolarHBondContact O-N 2.93Å; V577-C604 VanDerWaalsContact O-N 3.12Å
578N50.9Low42.4Very low111 Ų111114.2 Ų114.259%0.59461%0.61SS**EExtended strand (participates in β ladder)trans-69.789.8170.1-953.6000108.1G576 L580 C604G576-N578 PolarHBondContact O-N 3.23Å; N578-L580 PolarHBondContact O-N 3.2Å; N578-C604 WeakPolarHBondContact OD1-CB 3.36Å; N578-C604 PolarHBondContact OD1-SG 3.29Å
579T55.3Low43Very low68 Ų68110.2 Ų110.242%0.41759%0.593SS.*  trans-78.511.9163.366.50000111.6V577 I603 C604 L605V577-T579 VanDerWaalsContact C-N 3.31Å; V577-T579 HydrophobicContact CG1-CG2 3.9Å; V577-T579 PolarHBondContact O-N 3.48Å; T579-I603 HydrophobicContact CG2-CG2 4.33Å; T579-C604 PolarHBondContact OG1-O 3.44Å; T579-L605 WeakPolarHBondContact OG1-CD2 3.35Å
580L45.8Very low43.8Very low69 Ų69108 Ų10836%0.36158%0.579SS.*  trans-110.772.8-173.4-164.377.4000112.6N578 N606N578-L580 PolarHBondContact O-N 3.2Å; L580-N606 HydrophobicContact CD1-CB 3.47Å; L580-N606 VanDerWaalsContact CD1-CB 3.47Å; L580-N606 WeakPolarHBondContact CD1-ND2 3.4Å; L580-N606 WeakPolarHBondContact CD2-OD1 3.11Å
581L49.3Very low44.9Very low104 Ų104105.9 Ų105.955%0.54557%0.565SS.*  trans-155.5114.7142.8-141.574.1000108.6N583 S584L581-N583 HydrophobicContact CD2-CB 4.03Å; L581-N583 HydrophobicContact CG-CB 4.14Å; L581-N583 PolarHBondContact O-N 2.93Å; L581-S584 WeakPolarHBondContact CB-OG 3.5Å; L581-S584 PolarHBondContact O-N 3.15Å; L581-S584 PolarHBondContact O-OG 2.89Å
582D49.4Very low46.2Very low128 Ų128105 Ų10568%0.68457%0.565SS**THydrogen-bonded Turntrans-64.1-12.8173-127.7-52.5000112.2K585D582-K585 WeakPolarHBondContact O-CE 3.27Å; D582-K585 PolarHBondContact O-NZ 3.37Å; D582-K585 WeakPolarHBondContact OD1-CE 3.2Å; D582-K585 IonicContact OD1-NZ 3.26Å; D582-K585 PolarHBondContact OD1-NZ 3.28Å
583N45.6Very low47.2Very low143 Ų143102.5 Ų102.577%0.76557%0.566SS**THydrogen-bonded Turntrans-92.7-12.1173.7-60.280.3000114L581 K585L581-N583 HydrophobicContact CD2-CB 4.03Å; L581-N583 HydrophobicContact CG-CB 4.14Å; L581-N583 PolarHBondContact O-N 2.93Å; N583-K585 PolarHBondContact O-N 3.02Å
584S43.4Very low48.4Very low61 Ų6197 Ų9743%0.42755%0.551SS.*  trans-91.136.6176.970.30000113L581 A586L581-S584 WeakPolarHBondContact CB-OG 3.5Å; L581-S584 PolarHBondContact O-N 3.15Å; L581-S584 PolarHBondContact O-OG 2.89Å; S584-A586 PolarHBondContact O-N 3.11Å
585K42.7Very low50.3Low147 Ų14797.3 Ų97.364%0.63956%0.561SS**THydrogen-bonded Turntrans-66.32.7169.7-72.6173177.7134.50113.6D582 N583D582-K585 WeakPolarHBondContact O-CE 3.27Å; D582-K585 PolarHBondContact O-NZ 3.37Å; D582-K585 WeakPolarHBondContact OD1-CE 3.2Å; D582-K585 IonicContact OD1-NZ 3.26Å; D582-K585 PolarHBondContact OD1-NZ 3.28Å; N583-K585 PolarHBondContact O-N 3.02Å
586A36.8Very low51.8Low97 Ų9796.2 Ų96.280%0.80256%0.556SS**THydrogen-bonded Turntrans-73.4-21.2-176.800000114.4S584S584-A586 PolarHBondContact O-N 3.11Å
587T41.6Very low53.5Low113 Ų11397.3 Ų97.369%0.69356%0.561SS**SBendtrans-113.282.817253.90000109.7T589T587-T589 PolarHBondContact O-N 3.08Å
588L43.6Very low54.9Low147 Ų147102 Ų10277%0.7758%0.579SS**  trans-74.159.7-179.7-165.186.3000112.4
589T46.9Very low56.4Low83 Ų83103.5 Ų103.551%0.50960%0.595SS.*  trans-80.5109.9150.153.10000106.6T587T587-T589 PolarHBondContact O-N 3.08Å
590E57.3Low57.7Low100 Ų100104 Ų10447%0.46761%0.614SS.*  trans-41.7133.6170.6-77.6-68.915700110.1D592 L593 L594E590-D592 PolarHBondContact O-N 3.37Å; E590-L593 HydrophobicContact CB-CB 4.03Å; E590-L593 HydrophobicContact CB-CD1 3.87Å; E590-L593 HydrophobicContact CB-CG 3.76Å; E590-L593 HydrophobicContact CG-CD1 4.13Å; E590-L593 HydrophobicContact CG-CG 4.41Å; E590-L593 PolarHBondContact O-N 3.35Å; E590-L594 PolarHBondContact O-N 3.38Å
591P57.1Low59.6Low60 Ų60103.4 Ų103.439%0.3961%0.613SS.*THydrogen-bonded Turntrans-59.9-20.4-176.924.5-34000112.6R625P591-R625 HydrophobicContact CB-CG 4.14Å; P591-R625 WeakPolarHBondContact O-CD 3.45Å; P591-R625 PolarHBondContact O-NE 2.87Å; P591-R625 PolarHBondContact O-NH1 3.47Å
592D60.6Low61.3Low116 Ų116101.5 Ų101.562%0.6261%0.606SS**THydrogen-bonded Turntrans-93.5-14.7176.6-66.5-26.7000114.4E590 R625E590-D592 PolarHBondContact O-N 3.37Å; D592-R625 IonicContact OD1-NH1 3.83Å
593L55.9Low62.9Low144 Ų14497.7 Ų97.775%0.75459%0.585SS**THydrogen-bonded Turntrans-77.4-26.5168.5-73.1178.3000111.9E590 G595E590-L593 HydrophobicContact CB-CB 4.03Å; E590-L593 HydrophobicContact CB-CD1 3.87Å; E590-L593 HydrophobicContact CB-CG 3.76Å; E590-L593 HydrophobicContact CG-CD1 4.13Å; E590-L593 HydrophobicContact CG-CG 4.41Å; E590-L593 PolarHBondContact O-N 3.35Å; L593-G595 PolarHBondContact O-N 2.9Å
594L61.2Low64.9Low85 Ų8592.9 Ų92.945%0.44556%0.562SS.*SBendtrans-68.8113.4156.9-63.1176.6000107.4E590 R625E590-L594 PolarHBondContact O-N 3.38Å; L594-R625 VanDerWaalsContact O-CZ 3.25Å; L594-R625 PolarHBondContact O-NH1 2.99Å; L594-R625 PolarHBondContact O-NH2 2.93Å
595G69.7Low67.1Low47 Ų4793.2 Ų93.249%0.48556%0.559SS.*PPolyproline II helixtrans-55.7171.6178.600000113.7L593 C597 R625L593-G595 PolarHBondContact O-N 2.9Å; G595-C597 PolarHBondContact O-N 3.31Å; G595-C597 VanDerWaalsContact O-N 3.09Å; G595-R625 PolarHBondContact O-NH2 3.3Å
596P75.4Confident69.3Low125 Ų12591.5 Ų91.581%0.81256%0.557SS**SBendtrans-54.5121.5175.124.2-33.8000109.5E598P596-E598 PolarHBondContact O-N 3.14Å
597C81.2Confident71.9Confident38 Ų3888.8 Ų88.826%0.25754%0.538SS..PPolyproline II helixtrans-58.3137.9-174.3-59.40000110.9G595 T601 I603 R625G595-C597 PolarHBondContact O-N 3.31Å; G595-C597 VanDerWaalsContact O-N 3.09Å; C597-T601 HydrophobicContact CB-CG2 4.03Å; C597-I603 HydrophobicContact CB-CD1 4.38Å; C597-R625 PolarHBondContact SG-NH2 3.19Å
598E83.8Confident74.4Confident157 Ų15788.9 Ų88.973%0.73453%0.533SS*.PPolyproline II helixtrans-57.4136.3-178.4-65.1-168154.100111P596 G600 T601P596-E598 PolarHBondContact O-N 3.14Å; E598-G600 PolarHBondContact O-N 3.36Å; E598-G600 VanDerWaalsContact O-N 3.15Å; E598-T601 PolarHBondContact N-OG1 3.49Å; E598-T601 WeakPolarHBondContact O-CB 3.18Å; E598-T601 PolarHBondContact O-N 2.84Å; E598-T601 PolarHBondContact O-OG1 3.12Å
599P81.2Confident76.9Confident141 Ų14185.5 Ų85.592%0.91652%0.519SS*.THydrogen-bonded Turntrans-55.2120.7179.1-27.635.5000112.4
600G83.9Confident79.1Confident80 Ų8088.8 Ų88.883%0.82552%0.522SS*.THydrogen-bonded Turntrans104.4-11.8-172.200000114.3E598 T602E598-G600 PolarHBondContact O-N 3.36Å; E598-G600 VanDerWaalsContact O-N 3.15Å; G600-T602 PolarHBondContact O-N 3.39Å
601T84.4Confident80.8Confident56 Ų5688.6 Ų88.634%0.34452%0.523SS..  trans-53.5121.4165.5-60.10000109.2V577 C597 E598 I603V577-T601 HydrophobicContact CG2-CG2 3.78Å; C597-T601 HydrophobicContact CB-CG2 4.03Å; E598-T601 PolarHBondContact N-OG1 3.49Å; E598-T601 WeakPolarHBondContact O-CB 3.18Å; E598-T601 PolarHBondContact O-N 2.84Å; E598-T601 PolarHBondContact O-OG1 3.12Å; T601-I603 HydrophobicContact CG2-CG1 4.33Å
602T85.3Confident82.6Confident64 Ų6492.6 Ų92.639%0.39354%0.537SS..  trans-71.9142.1171.3-59.30000109C574 G576 V577 G600C574-T602 HydrophobicContact CB-CG2 4.12Å; G576-T602 CarbonylContact C-O 3.42Å; G576-T602 WeakPolarHBondContact CA-O 3.36Å; V577-T602 PolarHBondContact N-O 3.24Å; G600-T602 PolarHBondContact O-N 3.39Å
603I83.5Confident84Confident48 Ų4889.1 Ų89.125%0.24652%0.52CS..EExtended strand (participates in β ladder)trans-134.5133.4177.7-48-177.4000107.7V577 T579 C597 T601 L605 W624V577-I603 HydrophobicContact CB-CG2 4.42Å; V577-I603 WeakPolarHBondContact O-CG2 3.29Å; T579-I603 HydrophobicContact CG2-CG2 4.33Å; C597-I603 HydrophobicContact CB-CD1 4.38Å; T601-I603 HydrophobicContact CG2-CG1 4.33Å; I603-L605 HydrophobicContact CB-CG 4.49Å; I603-L605 HydrophobicContact CG2-CD2 3.55Å; I603-L605 HydrophobicContact CG2-CG 3.94Å; I603-W624 HydrophobicContact CD1-CH2 3.99Å; I603-W624 HydrophobicContact CD1-CZ2 3.46Å; I603-W624 VanDerWaalsContact CD1-CZ2 3.46Å
604C87.1Confident85.6Confident41 Ų4189.6 Ų89.628%0.27753%0.529SS..EExtended strand (participates in β ladder)trans-99.8115.1177.8-58.80000108.8V577 N578 T579V577-C604 PolarHBondContact O-N 2.93Å; V577-C604 VanDerWaalsContact O-N 3.12Å; N578-C604 WeakPolarHBondContact OD1-CB 3.36Å; N578-C604 PolarHBondContact OD1-SG 3.29Å; T579-C604 PolarHBondContact OG1-O 3.44Å
605L89.2Confident86.8Confident68 Ų6889.6 Ų89.636%0.35653%0.533SS..  trans-124.6138.4-173.1-55.8175.9000109.8T579 I603 V622 W624T579-L605 WeakPolarHBondContact OG1-CD2 3.35Å; I603-L605 HydrophobicContact CB-CG 4.49Å; I603-L605 HydrophobicContact CG2-CD2 3.55Å; I603-L605 HydrophobicContact CG2-CG 3.94Å; L605-V622 HydrophobicContact CB-CG1 3.51Å; L605-V622 HydrophobicContact CD1-CG1 3.61Å; L605-V622 HydrophobicContact CG-CG1 4.12Å; L605-W624 HydrophobicContact CD1-CB 4.37Å; L605-W624 HydrophobicContact CD2-CB 3.91Å; L605-W624 VanDerWaalsContact CD2-CD1 3.4Å; L605-W624 HydrophobicContact CD2-CG 3.79Å
606N89.1Confident87.6Confident112 Ų11288.2 Ų88.260%0.59952%0.518SS*.  trans-81.7139.1163.3-95.55.3000109.7L580L580-N606 HydrophobicContact CD1-CB 3.47Å; L580-N606 VanDerWaalsContact CD1-CB 3.47Å; L580-N606 WeakPolarHBondContact CD1-ND2 3.4Å; L580-N606 WeakPolarHBondContact CD2-OD1 3.11Å
607G92.1Very high88.3Confident40 Ų4083.8 Ų83.841%0.41249%0.489SS..EExtended strand (participates in β ladder)trans-134.2157.7170.300000111.6N621G607-N621 CarbonylContact C-O 3.58Å; G607-N621 WeakPolarHBondContact CA-O 3.37Å
608I94.5Very high89Confident114 Ų11484.2 Ų84.259%0.58549%0.488SS*.EExtended strand (participates in β ladder)trans-101.4121.9171.7-52.6176.6000106.9W610 N621I608-W610 PolarHBondContact O-N 3.02Å; I608-N621 PolarHBondContact N-O 3.41Å; I608-N621 PolarHBondContact O-N 2.87Å
609V95Very high89.5Confident77 Ų7778.4 Ų78.447%0.46746%0.463SS..EExtended strand (participates in β ladder)trans-71.2122.5168.1-178.70000107.9L618 V619 V620V609-L618 HydrophobicContact CG1-CD2 4.28Å; V609-V619 WeakPolarHBondContact CA-O 3.4Å; V609-V620 HydrophobicContact CG2-CG2 4.43Å
610W94.1Very high90.2Very high152 Ų15272.5 Ų72.558%0.57643%0.425SS*.EExtended strand (participates in β ladder)trans-95.8-32.1-179.6-82.119.8000112.5I608 V619 N621 I630I608-W610 PolarHBondContact O-N 3.02Å; W610-V619 HydrophobicContact CB-CB 4.42Å; W610-V619 HydrophobicContact CB-CG1 4.22Å; W610-V619 PolarHBondContact N-O 3.45Å; W610-N621 HydrophobicContact CD2-CB 4.2Å; W610-N621 HydrophobicContact CG-CB 4.37Å; W610-N621 HydrophobicContact CZ2-CB 4.2Å; W610-N621 WeakPolarHBondContact CZ2-ND2 3.48Å; W610-I630 HydrophobicContact CE3-CD1 4.42Å; W610-I630 HydrophobicContact CH2-CD1 3.7Å; W610-I630 HydrophobicContact CZ2-CD1 4.44Å; W610-I630 HydrophobicContact CZ3-CD1 3.68Å
611L93Very high90.7Very high95 Ų9569.8 Ų69.850%0.49739%0.391SS..EExtended strand (participates in β ladder)trans-149.8130.2176.4177.164.9000108.6T613 L618 V619L611-T613 HydrophobicContact CD2-CG2 4.04Å; L611-T613 HydrophobicContact CG-CG2 4.15Å; L611-L618 CarbonylContact O-C 3.06Å; L611-L618 WeakPolarHBondContact O-CA 3.39Å; L611-V619 HydrophobicContact CB-CB 4.02Å; L611-V619 HydrophobicContact CB-CG2 3.93Å; L611-V619 HydrophobicContact CD2-CG2 4.27Å; L611-V619 PolarHBondContact O-N 3.13Å
612E94.1Very high91.2Very high145 Ų14568.5 Ų68.568%0.67838%0.383SS*.EExtended strand (participates in β ladder)trans-105130.9161.8175.8164.8-158.300107.7L618E612-L618 HydrophobicContact CB-CD2 3.74Å; E612-L618 HydrophobicContact CG-CD2 3.62Å
613T90.4Very high91.4Very high42 Ų4269.4 Ų69.426%0.25839%0.389SS..  trans-101.4150.8176.858.60000110.2L611 T615 G616 V617L611-T613 HydrophobicContact CD2-CG2 4.04Å; L611-T613 HydrophobicContact CG-CG2 4.15Å; T613-T615 PolarHBondContact O-N 3.03Å; T613-T615 PolarHBondContact OG1-OG1 3.36Å; T613-G616 PolarHBondContact O-N 3.27Å; T613-V617 HydrophobicContact CG2-CB 4.41Å; T613-V617 PolarHBondContact N-O 3.4Å; T613-V617 VanDerWaalsContact OG1-CA 3.31Å; T613-V617 WeakPolarHBondContact OG1-CA 3.25Å; T613-V617 WeakPolarHBondContact OG1-CB 3.16Å; T613-V617 WeakPolarHBondContact OG1-CG2 3.21Å; T613-V617 PolarHBondContact OG1-N 2.96Å; T613-V617 PolarHBondContact OG1-O 2.75Å
614T90.5Very high91.7Very high154 Ų15469.9 Ų69.995%0.94539%0.387SS*.THydrogen-bonded Turntrans-61-13.5176.948.50000114
615T86.1Confident91.6Very high86 Ų8670.5 Ų70.553%0.52838%0.384SS..THydrogen-bonded Turntrans-97.412.5176.451.50000113.8T613 V617 H639T613-T615 PolarHBondContact O-N 3.03Å; T613-T615 PolarHBondContact OG1-OG1 3.36Å; T615-V617 PolarHBondContact O-N 2.79Å; T615-H639 PolarHBondContact O-NE2 2.88Å
616G87Confident91.4Very high17 Ų1771 Ų7118%0.17541%0.406CS..SBendtrans76.218.5174.700000115T613 D635T613-G616 PolarHBondContact O-N 3.27Å; G616-D635 PolarHBondContact O-N 2.83Å
617V90.2Very high91.4Very high32 Ų3274 Ų7419%0.19441%0.409CS..EExtended strand (participates in β ladder)trans-89.4127.2168.1-158.80000109.2T613 T615 T632 L633 L634T613-V617 HydrophobicContact CG2-CB 4.41Å; T613-V617 PolarHBondContact N-O 3.4Å; T613-V617 VanDerWaalsContact OG1-CA 3.31Å; T613-V617 WeakPolarHBondContact OG1-CA 3.25Å; T613-V617 WeakPolarHBondContact OG1-CB 3.16Å; T613-V617 WeakPolarHBondContact OG1-CG2 3.21Å; T613-V617 PolarHBondContact OG1-N 2.96Å; T613-V617 PolarHBondContact OG1-O 2.75Å; T615-V617 PolarHBondContact O-N 2.79Å; V617-T632 HydrophobicContact CG1-CG2 4.24Å; V617-L633 WeakPolarHBondContact CA-O 3.37Å; V617-L634 HydrophobicContact CB-CD2 4.09Å; V617-L634 HydrophobicContact CG1-CD2 3.77Å; V617-L634 HydrophobicContact CG2-CD2 3.61Å
618L94.4Very high91.4Very high48 Ų4876.2 Ų76.225%0.25141%0.414SS..EExtended strand (participates in β ladder)trans-107124.3173.1-55.7179.4000109.7V609 L611 E612 V620 T632 L633V609-L618 HydrophobicContact CG1-CD2 4.28Å; L611-L618 CarbonylContact O-C 3.06Å; L611-L618 WeakPolarHBondContact O-CA 3.39Å; E612-L618 HydrophobicContact CB-CD2 3.74Å; E612-L618 HydrophobicContact CG-CD2 3.62Å; L618-V620 HydrophobicContact CB-CG2 3.9Å; L618-T632 CarbonylContact O-C 3.49Å; L618-T632 VanDerWaalsContact O-CA 3.23Å; L618-T632 WeakPolarHBondContact O-CA 3.46Å; L618-L633 HydrophobicContact CB-CB 4.37Å; L618-L633 PolarHBondContact N-O 3.17Å; L618-L633 PolarHBondContact O-N 2.95Å
619V94.5Very high91.3Very high35 Ų3575.7 Ų75.721%0.21241%0.406CS..EExtended strand (participates in β ladder)trans-83.6121.4163.2-176.30000107.5V609 W610 L611 I630 G631 T632V609-V619 WeakPolarHBondContact CA-O 3.4Å; W610-V619 HydrophobicContact CB-CB 4.42Å; W610-V619 HydrophobicContact CB-CG1 4.22Å; W610-V619 PolarHBondContact N-O 3.45Å; L611-V619 HydrophobicContact CB-CB 4.02Å; L611-V619 HydrophobicContact CB-CG2 3.93Å; L611-V619 HydrophobicContact CD2-CG2 4.27Å; L611-V619 PolarHBondContact O-N 3.13Å; V619-I630 HydrophobicContact CG1-CG2 4.15Å; V619-G631 WeakPolarHBondContact CA-O 3.41Å; V619-T632 HydrophobicContact CG2-CG2 4.18Å
620V95.6Very high91.3Very high17 Ų1776.8 Ų76.810%0.10341%0.408CS..EExtended strand (participates in β ladder)trans-126134-174.5-166.20000110.1V609 L618 V622 I630 G631 L633V609-V620 HydrophobicContact CG2-CG2 4.43Å; L618-V620 HydrophobicContact CB-CG2 3.9Å; V620-V622 HydrophobicContact CB-CG2 4.5Å; V620-V622 HydrophobicContact CG1-CG2 3.76Å; V620-I630 WeakPolarHBondContact O-CA 3.44Å; V620-G631 PolarHBondContact N-O 3.46Å; V620-G631 PolarHBondContact O-N 2.93Å; V620-L633 HydrophobicContact CG2-CD1 3.91Å; V620-L633 HydrophobicContact CG2-CG 3.97Å
621N95Very high91.3Very high22 Ų2271.4 Ų71.412%0.11840%0.4CS..EExtended strand (participates in β ladder)trans-105.7123.1171.2-176.8-4.1000109.7G607 I608 W610 T628 Y629 I630G607-N621 CarbonylContact C-O 3.58Å; G607-N621 WeakPolarHBondContact CA-O 3.37Å; I608-N621 PolarHBondContact N-O 3.41Å; I608-N621 PolarHBondContact O-N 2.87Å; W610-N621 HydrophobicContact CD2-CB 4.2Å; W610-N621 HydrophobicContact CG-CB 4.37Å; W610-N621 HydrophobicContact CZ2-CB 4.2Å; W610-N621 WeakPolarHBondContact CZ2-ND2 3.48Å; N621-T628 WeakPolarHBondContact OD1-CG2 3.38Å; N621-Y629 WeakPolarHBondContact CA-O 3.31Å; N621-I630 HydrophobicContact CB-CG1 4.04Å
622V94.1Very high91.3Very high30 Ų3071.4 Ų71.418%0.18240%0.404CS..EExtended strand (participates in β ladder)trans-129.2128.9-171.6-175.40000110.2L605 V620 Y629L605-V622 HydrophobicContact CB-CG1 3.51Å; L605-V622 HydrophobicContact CD1-CG1 3.61Å; L605-V622 HydrophobicContact CG-CG1 4.12Å; V620-V622 HydrophobicContact CB-CG2 4.5Å; V620-V622 HydrophobicContact CG1-CG2 3.76Å; V622-Y629 PolarHBondContact N-O 3.46Å; V622-Y629 PolarHBondContact O-N 3.28Å
623T91.1Very high91.3Very high83 Ų8369.5 Ų69.551%0.50940%0.398SS..EExtended strand (participates in β ladder)trans-101.2127.1176.4-55.60000111R627T623-R627 CarbonylContact C-O 3.29Å; T623-R627 WeakPolarHBondContact CA-O 3.47Å
624W88Confident91.2Very high57 Ų5771.8 Ų71.822%0.21641%0.408CS..EExtended strand (participates in β ladder)trans-145.6132178-178.458.2000111I603 L605 G626 R627 Y629I603-W624 HydrophobicContact CD1-CH2 3.99Å; I603-W624 HydrophobicContact CD1-CZ2 3.46Å; I603-W624 VanDerWaalsContact CD1-CZ2 3.46Å; L605-W624 HydrophobicContact CD1-CB 4.37Å; L605-W624 HydrophobicContact CD2-CB 3.91Å; L605-W624 VanDerWaalsContact CD2-CD1 3.4Å; L605-W624 HydrophobicContact CD2-CG 3.79Å; W624-G626 PolarHBondContact O-N 2.88Å; W624-R627 PolarHBondContact N-O 2.76Å; W624-R627 PolarHBondContact O-N 3.38Å; W624-Y629 HydrophobicContact CB-CD2 4.4Å; W624-Y629 HydrophobicContact CB-CE2 4.09Å; W624-Y629 HydrophobicContact CE3-CE2 4.24Å
625R85.3Confident90.8Very high54 Ų5467.1 Ų67.120%0.20438%0.377CS..THydrogen-bonded Turntrans44.653.4-174.5-55.1-162.9-175.9-164.7-2.5113.6P591 D592 L594 G595 C597 R627P591-R625 HydrophobicContact CB-CG 4.14Å; P591-R625 WeakPolarHBondContact O-CD 3.45Å; P591-R625 PolarHBondContact O-NE 2.87Å; P591-R625 PolarHBondContact O-NH1 3.47Å; D592-R625 IonicContact OD1-NH1 3.83Å; L594-R625 VanDerWaalsContact O-CZ 3.25Å; L594-R625 PolarHBondContact O-NH1 2.99Å; L594-R625 PolarHBondContact O-NH2 2.93Å; G595-R625 PolarHBondContact O-NH2 3.3Å; C597-R625 PolarHBondContact SG-NH2 3.19Å; R625-R627 PolarHBondContact O-N 3.46Å
626G86.1Confident90.4Very high79 Ų7965.5 Ų65.581%0.81437%0.373SS*.THydrogen-bonded Turntrans66.61.4-179.600000115.8W624W624-G626 PolarHBondContact O-N 2.88Å
627R88.1Confident90Very high174 Ų17470.7 Ų70.766%0.65740%0.401SS*.EExtended strand (participates in β ladder)trans-109.3141.6179.1-63.7-179.1-173.4-178.23.3111T623 W624 R625 Y629T623-R627 CarbonylContact C-O 3.29Å; T623-R627 WeakPolarHBondContact CA-O 3.47Å; W624-R627 PolarHBondContact N-O 2.76Å; W624-R627 PolarHBondContact O-N 3.38Å; R625-R627 PolarHBondContact O-N 3.46Å; R627-Y629 HydrophobicContact CB-CD2 4.46Å; R627-Y629 HydrophobicContact CB-CE2 3.63Å; R627-Y629 WeakPolarHBondContact CD-OH 3.11Å; R627-Y629 WeakPolarHBondContact O-CD2 2.99Å; R627-Y629 WeakPolarHBondContact O-CE2 3.45Å
628T92.1Very high89.1Confident87 Ų8775 Ų7553%0.53442%0.419SS..EExtended strand (participates in β ladder)trans-104.5120.5-176.4-54.10000109.1N621N621-T628 WeakPolarHBondContact OD1-CG2 3.38Å
629Y93.7Very high88Confident104 Ų10475.3 Ų75.341%0.40842%0.419SS..EExtended strand (participates in β ladder)trans-115.5115.8-175.6-59.2-88.4000109.8N621 V622 W624 R627N621-Y629 WeakPolarHBondContact CA-O 3.31Å; V622-Y629 PolarHBondContact N-O 3.46Å; V622-Y629 PolarHBondContact O-N 3.28Å; W624-Y629 HydrophobicContact CB-CD2 4.4Å; W624-Y629 HydrophobicContact CB-CE2 4.09Å; W624-Y629 HydrophobicContact CE3-CE2 4.24Å; R627-Y629 HydrophobicContact CB-CD2 4.46Å; R627-Y629 HydrophobicContact CB-CE2 3.63Å; R627-Y629 WeakPolarHBondContact CD-OH 3.11Å; R627-Y629 WeakPolarHBondContact O-CD2 2.99Å; R627-Y629 WeakPolarHBondContact O-CE2 3.45Å
630I94Very high86.7Confident100 Ų10081.7 Ų81.751%0.51345%0.452SS..EExtended strand (participates in β ladder)trans-99.2129.6172.2-59.2169.4000107.9W610 V619 V620 N621W610-I630 HydrophobicContact CE3-CD1 4.42Å; W610-I630 HydrophobicContact CH2-CD1 3.7Å; W610-I630 HydrophobicContact CZ2-CD1 4.44Å; W610-I630 HydrophobicContact CZ3-CD1 3.68Å; V619-I630 HydrophobicContact CG1-CG2 4.15Å; V620-I630 WeakPolarHBondContact O-CA 3.44Å; N621-I630 HydrophobicContact CB-CG1 4.04Å
631G94.6Very high85.3Confident39 Ų3989.9 Ų89.940%0.40249%0.486SS..EExtended strand (participates in β ladder)trans-155.1-175.6179.900000112.3V619 V620V619-G631 WeakPolarHBondContact CA-O 3.41Å; V620-G631 PolarHBondContact N-O 3.46Å; V620-G631 PolarHBondContact O-N 2.93Å
632T93.3Very high83.6Confident94 Ų9490 Ų9058%0.57749%0.491SS*.EExtended strand (participates in β ladder)trans-119.7136.7178.649.70000111.6V617 L618 V619V617-T632 HydrophobicContact CG1-CG2 4.24Å; L618-T632 CarbonylContact O-C 3.49Å; L618-T632 VanDerWaalsContact O-CA 3.23Å; L618-T632 WeakPolarHBondContact O-CA 3.46Å; V619-T632 HydrophobicContact CG2-CG2 4.18Å
633L92.7Very high81.9Confident105 Ų10593.9 Ų93.955%0.5552%0.516SS..EExtended strand (participates in β ladder)trans-103.3144.5165.2-56.1-179000109.4V617 L618 V620V617-L633 WeakPolarHBondContact CA-O 3.37Å; L618-L633 HydrophobicContact CB-CB 4.37Å; L618-L633 PolarHBondContact N-O 3.17Å; L618-L633 PolarHBondContact O-N 2.95Å; V620-L633 HydrophobicContact CG2-CD1 3.91Å; V620-L633 HydrophobicContact CG2-CG 3.97Å
634L89.5Confident80.3Confident91 Ų9194.9 Ų94.948%0.47652%0.524SS..EExtended strand (participates in β ladder)trans-118.1141.5173.5-71.2167.3000108.6V617 A636V617-L634 HydrophobicContact CB-CD2 4.09Å; V617-L634 HydrophobicContact CG1-CD2 3.77Å; V617-L634 HydrophobicContact CG2-CD2 3.61Å; L634-A636 PolarHBondContact O-N 2.99Å; L634-A636 VanDerWaalsContact O-N 3.1Å
635D81.9Confident78.9Confident55 Ų5595.2 Ų95.229%0.29454%0.535SS..  trans-69.8104.2170.3-173.4-11.2000110.6G616 T637 Q638 H639G616-D635 PolarHBondContact O-N 2.83Å; D635-T637 VanDerWaalsContact CG-OG1 3.25Å; D635-T637 PolarHBondContact O-N 2.8Å; D635-T637 WeakPolarHBondContact OD1-CA 3.49Å; D635-T637 WeakPolarHBondContact OD1-CB 3.42Å; D635-T637 PolarHBondContact OD1-N 3Å; D635-T637 PolarHBondContact OD1-OG1 3.35Å; D635-T637 PolarHBondContact OD2-OG1 3.22Å; D635-Q638 HydrophobicContact CB-CB 4.28Å; D635-Q638 HydrophobicContact CB-CG 4.26Å; D635-Q638 PolarHBondContact O-N 2.85Å; D635-Q638 PolarHBondContact OD2-NE2 3.09Å; D635-H639 PolarHBondContact O-CD2 3.01Å; D635-H639 PolarHBondContact O-N 3.47Å; D635-H639 VanDerWaalsContact O-N 3.07Å
636A77.4Confident77.6Confident53 Ų5398.6 Ų98.644%0.43856%0.564SS.*THydrogen-bonded Turntrans-65.1-2.9177.600000114.4L634 A642L634-A636 PolarHBondContact O-N 2.99Å; L634-A636 VanDerWaalsContact O-N 3.1Å; A636-A642 HydrophobicContact CB-CB 3.71Å
637T77.7Confident76.2Confident125 Ų125102.4 Ų102.477%0.76755%0.553SS**THydrogen-bonded Turntrans-95.1-10.3170.372.60000113.8D635D635-T637 VanDerWaalsContact CG-OG1 3.25Å; D635-T637 PolarHBondContact O-N 2.8Å; D635-T637 WeakPolarHBondContact OD1-CA 3.49Å; D635-T637 WeakPolarHBondContact OD1-CB 3.42Å; D635-T637 PolarHBondContact OD1-N 3Å; D635-T637 PolarHBondContact OD1-OG1 3.35Å; D635-T637 PolarHBondContact OD2-OG1 3.22Å
638Q72.9Confident74.5Confident123 Ų12399.7 Ų99.758%0.57555%0.552SS**THydrogen-bonded Turntrans-114.5-19.6178.6-62.6-177.157.100113D635D635-Q638 HydrophobicContact CB-CB 4.28Å; D635-Q638 HydrophobicContact CB-CG 4.26Å; D635-Q638 PolarHBondContact O-N 2.85Å; D635-Q638 PolarHBondContact OD2-NE2 3.09Å
639H71.4Confident72.4Confident54 Ų54101.9 Ų101.925%0.2555%0.551CS.*  trans-116.696.6-175.6-68-86.9000111T615 D635 F641 A642T615-H639 PolarHBondContact O-NE2 2.88Å; D635-H639 PolarHBondContact O-CD2 3.01Å; D635-H639 PolarHBondContact O-N 3.47Å; D635-H639 VanDerWaalsContact O-N 3.07Å; H639-F641 PolarHBondContact O-N 3.48Å; H639-A642 WeakPolarHBondContact O-CB 3.38Å; H639-A642 PolarHBondContact O-N 2.84Å
640D65.8Low70.1Confident169 Ų169101.8 Ų101.890%0.90456%0.561SS**THydrogen-bonded Turntrans-57.4-19.4-179.9-78.2-36.4000114.4A642D640-A642 VanDerWaalsContact C-N 3.28Å
641F65.8Low67.8Low189 Ų18999.3 Ų99.383%0.82955%0.552SS**THydrogen-bonded Turntrans-80-5.5174.7-54.9-67000113.8H639 P643H639-F641 PolarHBondContact O-N 3.48Å; F641-P643 WeakPolarHBondContact O-CD 3.5Å
642A60.6Low65.6Low25 Ų25100.8 Ų100.821%0.20755%0.554CS.*SBendtrans-67.7124.1172.900000109.8A636 H639 D640A636-A642 HydrophobicContact CB-CB 3.71Å; H639-A642 WeakPolarHBondContact O-CB 3.38Å; H639-A642 PolarHBondContact O-N 2.84Å; D640-A642 VanDerWaalsContact C-N 3.28Å
643P58.1Low63.2Low111 Ų111104.3 Ų104.372%0.72156%0.562SS**PPolyproline II helixtrans-56.6135.2175.6-25.134.8000110.6F641 C645F641-P643 WeakPolarHBondContact O-CD 3.5Å; P643-C645 PolarHBondContact O-N 2.74Å
644P57.5Low60.7Low104 Ų104107.6 Ų107.668%0.67557%0.571SS**PPolyproline II helixtrans-50.1128.6176.9-29.335.4000110.9
645C58.2Low58.3Low64 Ų64106.7 Ų106.743%0.43257%0.573SS.*PPolyproline II helixtrans-48.5138.8-173.9-81.60000111.2P643 R647 D648 Y649P643-C645 PolarHBondContact O-N 2.74Å; C645-R647 PolarHBondContact O-N 2.84Å; C645-D648 WeakPolarHBondContact CB-OD2 3.49Å; C645-D648 CarbonylContact O-C 3.59Å; C645-D648 WeakPolarHBondContact O-CA 3.06Å; C645-D648 PolarHBondContact O-N 3.28Å; C645-Y649 PolarHBondContact O-N 3.35Å; C645-Y649 VanDerWaalsContact O-N 3.08Å
646P58.1Low56.2Low125 Ų125107.6 Ų107.681%0.81258%0.583SS**THydrogen-bonded Turntrans-57.2-15.4-176.9-29.536.2000115.7
647R56.4Low54.6Low160 Ų160112 Ų11260%0.60460%0.598SS**THydrogen-bonded Turntrans-75.2-27.8172.8-165.1175.2-57.9-132.4-0.5113.3C574 C645C574-R647 PolarHBondContact SG-NH2 3.36Å; C645-R647 PolarHBondContact O-N 2.84Å
648D52.4Low52.8Low116 Ų116117.8 Ų117.862%0.6261%0.606SS**THydrogen-bonded Turntrans-103.4-6.8-179.8-50.5-65.5000111.6C645 V650C645-D648 WeakPolarHBondContact CB-OD2 3.49Å; C645-D648 CarbonylContact O-C 3.59Å; C645-D648 WeakPolarHBondContact O-CA 3.06Å; C645-D648 PolarHBondContact O-N 3.28Å; D648-V650 VanDerWaalsContact C-N 3.3Å; D648-V650 PolarHBondContact O-N 2.85Å
649Y48.4Very low51Low134 Ų134116.5 Ų116.553%0.52561%0.611SS.*  trans-66.983.8171.2-175.7-102.1000111.2C645 P651C645-Y649 PolarHBondContact O-N 3.35Å; C645-Y649 VanDerWaalsContact O-N 3.08Å; Y649-P651 HydrophobicContact CD1-CG 4.13Å; Y649-P651 HydrophobicContact CE1-CB 3.99Å; Y649-P651 HydrophobicContact CE1-CG 3.99Å; Y649-P651 WeakPolarHBondContact O-CD 3.34Å
650V46.2Very low49.4Very low101 Ų101118.2 Ų118.261%0.61263%0.629SS**  trans-67.2112.71611790000107.4D648D648-V650 VanDerWaalsContact C-N 3.3Å; D648-V650 PolarHBondContact O-N 2.85Å
651P44.1Very low47.8Very low49 Ų49118.3 Ų118.332%0.31863%0.629SS.*  trans-64.4136.6-177.1-20.733.8000109.8Y649 F653 K654Y649-P651 HydrophobicContact CD1-CG 4.13Å; Y649-P651 HydrophobicContact CE1-CB 3.99Å; Y649-P651 HydrophobicContact CE1-CG 3.99Å; Y649-P651 WeakPolarHBondContact O-CD 3.34Å; P651-F653 HydrophobicContact CB-CD2 4.32Å; P651-F653 PolarHBondContact O-N 2.81Å; P651-K654 PolarHBondContact O-N 2.65Å
652P48.3Very low46.7Very low69 Ų69120.2 Ų120.245%0.44863%0.631SS.*Hα-helixtrans-60.6-13.7-175.322.7-33.2000113.7
653F43.1Very low45.7Very low168 Ų168125 Ų12574%0.73766%0.657SS**Hα-helixtrans-81.1-5.9177.2-45.6-69.1000114.8P651P651-F653 HydrophobicContact CB-CD2 4.32Å; P651-F653 PolarHBondContact O-N 2.81Å
654K41.4Very low44.8Very low174 Ų174128.9 Ų128.976%0.75766%0.663SS**Hα-helixtrans-118.2-13-179.9-72.2-173.7177.2178.30115.4P651P651-K654 PolarHBondContact O-N 2.65Å
655S37.4Very low43.6Very low73 Ų73134.3 Ų134.351%0.5167%0.67SS.*Hα-helixtrans-91.5-20.4174.949.10000114.1I657S655-I657 PolarHBondContact O-N 2.94Å
656S39.6Very low42.7Very low73 Ų73142.8 Ų142.851%0.5169%0.693SS.*G310 helixtrans-85.42.5-170.8-166.60000116.2R658S656-R658 VanDerWaalsContact C-N 3.34Å; S656-R658 PolarHBondContact O-N 2.94Å
657I43.3Very low41.8Very low146 Ų146143.1 Ų143.175%0.74969%0.693SS**G310 helixtrans-81.4-8.3-173.6-65.8177.2000113.2S655S655-I657 PolarHBondContact O-N 2.94Å
658R39.7Very low40.8Very low246 Ų246138.2 Ų138.293%0.92869%0.692SS**G310 helixtrans-137.134.7179.2-75.8-168.7172.9163.2-0.9115.8S656S656-R658 VanDerWaalsContact C-N 3.34Å; S656-R658 PolarHBondContact O-N 2.94Å
659S36.2Very low40.1Very low97 Ų97140.3 Ų140.368%0.67871%0.709SS**SBendtrans-151.926.6176.853.90000116.5
660S37.5Very low39.5Very low89 Ų89137.1 Ų137.162%0.62272%0.717SS**  trans-140.264.9176.1-160.70000115.1R662S660-R662 VanDerWaalsContact C-N 3.35Å; S660-R662 PolarHBondContact O-N 3.25Å
661N32.1Very low39Very low172 Ų172138.1 Ų138.192%0.9272%0.724SS**  trans-87.471.8160.4-92.613.2000110.2
662R41.7Very low38.6Very low229 Ų229142 Ų14286%0.86474%0.742SS**  trans-102.873.7177.6-157.1174.3-171.2175.93113.8S660S660-R662 VanDerWaalsContact C-N 3.35Å; S660-R662 PolarHBondContact O-N 3.25Å
663T40.4Very low38.2Very low124 Ų124148.5 Ų148.576%0.76176%0.759SS**  trans55.5105.9137.1-47.10000120.5
664K38.7Very low37.8Very low193 Ų193149.7 Ų149.784%0.83976%0.763SS**  trans-174.6129.2139.9-105.7162.8-176.3170.80108.1
665R32.8Very low37.7Very low218 Ų218147.5 Ų147.582%0.82377%0.767SS**SBendcis-145.3173.76.3-74.7175157.8140-10.4109.9
666R38.5Very low37.4Very low243 Ų243151.1 Ų151.192%0.91778%0.781SS**  trans76.7133.1-178.1-55.3174.2-178.7-106.92.5112.5
667T39.5Very low37.4Very low131 Ų131154.6 Ų154.680%0.80479%0.793SS**  cis-153.3137.8-16.2-630000102.9
668G34.7Very low37Very low58 Ų58153.2 Ų153.260%0.59879%0.791SS**  cis107.5100.940.800000108.5
669V38.7Very low36.8Very low159 Ų159149.2 Ų149.296%0.96479%0.788SS**  trans68145.1179.3-167.30000113.9
670G35Very low36.9Very low68 Ų68153.2 Ų153.270%0.70180%0.796SS**  cis-174.9176.2-5.300000111.4
671T35.8Very low36.8Very low122 Ų122153.3 Ų153.375%0.74879%0.789SS**  trans-82.4139.6-176.748.70000113.7
672N37.3Very low37.1Very low131 Ų131151.3 Ų151.370%0.70178%0.783SS**  172.6139.9110.9-88.5-37.2000116.6
673Y38.3Very low37Very low204 Ų204145.1 Ų145.180%0.877%0.771SS**  trans32.4135.4150.1-69.6-75.4000126.3
674K36.1Very low36.8Very low193 Ų193145.7 Ų145.784%0.83977%0.77SS**  trans76.2118.7144.5-74.5177.4178.9-179.20120
675P38.8Very low36.6Very low128 Ų128143.8 Ų143.883%0.83177%0.769SS**  trans-101.3146.916636.9-30000113.1
676N31.9Very low36.5Very low150 Ų150139.8 Ų139.880%0.80277%0.772SS**  trans-159.5147.7134.1-142.4-15.7000113.9
677L37.9Very low36.1Very low145 Ų145135.4 Ų135.476%0.75977%0.767SS**  trans36.892160.2-114.862.1000122
678T35.7Very low35.6Very low117 Ų117138.9 Ų138.972%0.71877%0.765SS**  44.1102.8116.3-42.70000120
679N35.7Very low35.4Very low162 Ų162143.9 Ų143.987%0.86677%0.771SS**  trans-176.995.9130.5-98.8-19.8000113.3
680H38.9Very low35.1Very low181 Ų181140.9 Ų140.984%0.83876%0.757SS**  -169.9153.6124.8-152.8-93.1000110
681L34.1Very low35.2Very low92 Ų92143 Ų14348%0.48276%0.756SS.*  trans-110.4126.6178.4-17372.9000110.4T105T105-L681 HydrophobicContact CG2-CD2 3.99Å
682T39.4Very low35Very low129 Ų129142.7 Ų142.779%0.79175%0.754SS**  trans-142.9105.7164.854.50000108.7
683T39.4Very low34.8Very low99 Ų99143.5 Ų143.561%0.60776%0.759SS**  trans-93.5154.6176.3-34.50000109.7
684N35.9Very low34.5Very low137 Ų137137.8 Ų137.873%0.73376%0.762SS**  trans73.3135.5174.9-44-32.4000113.2
685D33.3Very low34.4Very low153 Ų153139.9 Ų139.982%0.81877%0.765SS**  cis-148.5143.813.4-85.7-55.9000112.3
686C30.7Very low34.3Very low133 Ų133141.2 Ų141.290%0.89976%0.759SS**  trans-167.573.2153.260.10000115.8
687N31.5Very low34.5Very low151 Ų151145.8 Ų145.881%0.80777%0.765SS**  trans-160110.6153.5-162.86.6000109.2
688W29.4Very low34.5Very low204 Ų204145 Ų14577%0.77376%0.761SS**  -173.7174.177.770.2-58000113
689K30.6Very low34.5Very low163 Ų163151.7 Ų151.771%0.70977%0.773SS**  trans-13.8150.3166.7-37.8173.8-165.6168.10116.6
690S30.9Very low34.4Very low97 Ų97147.5 Ų147.568%0.67877%0.769SS**  cis-172.916735.6-166.50000114.7
691T37.8Very low34.2Very low111 Ų111151 Ų15168%0.68177%0.774SS**  trans59.996.4148.727.90000122.6
692T31.9Very low34.2Very low116 Ų116150.5 Ų150.571%0.71278%0.784SS**  75.1137.4119.852.20000124.5
693N32.4Very low34.3Very low148 Ų148149 Ų14979%0.79178%0.779SS**  trans8784.3145.7-64.6-15.2000120.9
694G31.6Very low34.2Very low84 Ų84151.4 Ų151.487%0.86679%0.788SS**  trans-123.8102.614600000111.1
695R35.2Very low34.3Very low238 Ų238150.5 Ų150.590%0.89879%0.793SS**  trans-127.7120.9170.4-78.8-172.1-177.9-179.22.6109.4
696H36.2Very low34.6Very low155 Ų155149.1 Ų149.172%0.71879%0.792SS**  trans-155.3123148.7-157-136.9000114.8L698H696-L698 VanDerWaalsContact CE1-CD2 3.42Å; H696-L698 WeakPolarHBondContact CE1-CD2 3.4Å; H696-L698 PolarHBondContact NE2-N 3.09Å
697R36.3Very low34.8Very low246 Ų246146.9 Ų146.993%0.92878%0.783SS**  trans-147.377.8146.1-105.8-174178.3159.91.6110.1
698L38.3Very low35Very low129 Ų129146.3 Ų146.368%0.67579%0.785SS**  trans48.197.3137.1-67.6161.7000119.2H696H696-L698 VanDerWaalsContact CE1-CD2 3.42Å; H696-L698 WeakPolarHBondContact CE1-CD2 3.4Å; H696-L698 PolarHBondContact NE2-N 3.09Å
699R35.9Very low35.2Very low257 Ų257141.8 Ų141.897%0.9778%0.775SS**  -178.4121.1128.1-102.7-179.1-178.7-140.71.3108.7
700G32.9Very low35.3Very low75 Ų75140.3 Ų140.377%0.77378%0.776SS**  cis167.4136.9-11.500000111.2
701R33.4Very low35.4Very low253 Ų253140.7 Ų140.796%0.95577%0.77SS**  trans-155.1137.1166.7-119.9-172.9-176-148.90.4110.1
702A34.9Very low35.1Very low82 Ų82142.1 Ų142.168%0.67877%0.774SS**  trans-85.2164.3149.600000107.6
703S41.9Very low35.1Very low99 Ų99139.6 Ų139.669%0.69277%0.77SS**  cis-148.3177.716.2-47.70000111.4
704N36.6Very low35.2Very low148 Ų148140.1 Ų140.179%0.79177%0.773SS**  trans81.997.7155.6-55.7-5.6000119.9
705S37.9Very low35.4Very low119 Ų119139.6 Ų139.683%0.83277%0.767SS**  80.7159.1124.5-58.60000120.9
706P40.8Very low35.6Very low123 Ų123134.8 Ų134.880%0.79976%0.758SS**  trans-121.5-161.4-152.345.2-32.3000115
707A34.7Very low35.7Very low87 Ų87135 Ų13572%0.71976%0.76SS**  trans79.7131.5-171.200000113.5
708V34.8Very low35.7Very low138 Ų138128.5 Ų128.584%0.83675%0.747SS**  cis79135.928.7-173.20000113.6
709N33.3Very low35.7Very low109 Ų109129.6 Ų129.658%0.58375%0.752SS**  trans89.972.8170.8-140.6-65.9000118.9
710N32.8Very low35.5Very low133 Ų133121.8 Ų121.871%0.71174%0.737SS**  60-149.3126.9-41.8-6.7000115.5
711N33.4Very low35.5Very low104 Ų104125 Ų12556%0.55674%0.742SS**  cis-156.4156.82.6-136.50.1000114
712N31.8Very low35.7Very low142 Ų142119 Ų11976%0.75973%0.734SS**  trans64.1157.2153-62.9-19.1000119.6
713G31.1Very low35.6Very low62 Ų62122.2 Ų122.264%0.63974%0.739SS**  cis158.9-144.2-6.900000113.6
714N35.5Very low35.2Very low159 Ų159128.2 Ų128.285%0.8575%0.747SS**  trans77.8134.5-177.1-53.8-11.6000114.9
715G36.2Very low34.8Very low73 Ų73126.3 Ų126.375%0.75374%0.744SS**  cis-168.6-167.3-1.300000111.5
716I39.4Very low34.4Very low138 Ų138127.8 Ų127.871%0.70874%0.743SS**  cis-164.4147.6-6.9-124.4161.1000107.8
717E36.9Very low34Very low159 Ų159126.5 Ų126.574%0.74373%0.732SS**  cis-129.8-65.9-12.3-156.9178.2-97.800111.6
718T37.2Very low34Very low109 Ų109130.1 Ų130.167%0.66973%0.734SS**  cis-169.8132.7-2416.70000105.8
719I38.1Very low34Very low153 Ų153131 Ų13179%0.78573%0.729SS**  cis-136.9150.9-8.5-58.6178.5000108.3
720S32Very low34.1Very low92 Ų92130.9 Ų130.964%0.64373%0.728SS**  trans-56.5152.4178.5-43.80000117
721T33.9Very low34.3Very low144 Ų144130.3 Ų130.388%0.88373%0.729SS**  178.9169.182.534.60000112
722T36.7Very low34.4Very low127 Ų127133.6 Ų133.678%0.77974%0.738SS**  trans-109.1135.4179.446.80000113.1
723N32.6Very low34.5Very low149 Ų149132.3 Ų132.380%0.79773%0.73SS**  trans170.2152.5138.2-100.4-67.5000114.7
724R33.6Very low34.5Very low224 Ų224136 Ų13685%0.84574%0.735SS**  trans60108.8153.7-70.1176.7176166.6-1.4122.4
725C27.7Very low34.4Very low108 Ų108133.7 Ų133.773%0.7373%0.727SS**  49.2128.5119.8-49.30000123.4
726N30.3Very low34Very low151 Ų151137.3 Ų137.381%0.80773%0.725SS**  trans65.7138.3131.1-69.926.3000121.2
727T31.4Very low33.6Very low95 Ų95138.4 Ų138.458%0.58372%0.724SS**  cis-161.3162.4-17.2-47.80000108.4
728H35.5Very low33.1Very low164 Ų164138.6 Ų138.676%0.75973%0.725SS**  trans73.1150.5172-52.4-68.6000114.9
729H35.7Very low33Very low157 Ų157139.4 Ų139.473%0.72772%0.724SS**  cis-148.3124.129.3179.5-90.9000114.1
730L35.5Very low32.8Very low106 Ų106138.1 Ų138.156%0.55572%0.718SS**  trans45141.4156.4-83.659.3000120I733L730-I733 HydrophobicContact CD1-CD1 4.17Å; L730-I733 HydrophobicContact CG-CD1 4.3Å
731T36.2Very low33Very low120 Ų120140 Ų14074%0.73672%0.721SS**SBendcis-132.215415.445.50000110.5
732K36.2Very low33.1Very low174 Ų174139 Ų13976%0.75771%0.71SS**  cis-150.9141.7-8.8-103.8178177.9-171.30104.5
733I32.5Very low33.2Very low114 Ų114139.2 Ų139.259%0.58571%0.707SS**  61.6125.863.1-57.4169.7000111.6L730L730-I733 HydrophobicContact CD1-CD1 4.17Å; L730-I733 HydrophobicContact CG-CD1 4.3Å
734D32.3Very low33.6Very low139 Ų139137.9 Ų137.974%0.74370%0.703SS**  cis-165-170.6-20.2-109.8-45.9000108.7
735T31.9Very low33.9Very low112 Ų112133.6 Ų133.669%0.68770%0.696SS**  trans-55.8151.6168.3450000116.2
736E27.6Very low34.4Very low149 Ų149135 Ų13570%0.69669%0.692SS**  trans73.3150.1146.5-79.7180-135.400121.5
737K31.5Very low34.7Very low161 Ų161134.9 Ų134.970%0.769%0.686SS**  trans69.6111.8159-78.2153-175.9142.90116
738E27.4Very low34.9Very low163 Ų163136.6 Ų136.676%0.76269%0.692SS**  86.1124.595.5-132-169.1-142.200108.5
739L34.8Very low35Very low125 Ų125134.1 Ų134.165%0.65469%0.688SS**  cis-162.3161.848.8-86159.8000111.7
740I33.7Very low35Very low127 Ų127133.1 Ų133.165%0.65169%0.689SS**  trans57.990.8138.9-63.7168.1000118.1
741N36.7Very low35Very low132 Ų132134.2 Ų134.271%0.70669%0.694SS**  176.8126.9106.9-97.3-6.9000108.3
742D35.4Very low34.8Very low122 Ų122134.2 Ų134.265%0.65269%0.694SS**  70.5124.266-69.334.8000111
743N39.4Very low34.6Very low132 Ų132135.1 Ų135.171%0.70670%0.698SS**  cis-161.6163.913.7-128-43.6000113.1
744V40.9Very low34.5Very low120 Ų120135.7 Ų135.773%0.72771%0.71SS**  trans66.7126.5153167.50000117
745I40.3Very low34.4Very low135 Ų135137.1 Ų137.169%0.69272%0.717SS**  cis-169.5161.81.1-121.7-177.2000106.1
746Q37.6Very low34.9Very low137 Ų137136.8 Ų136.864%0.6472%0.717SS**  cis-154.8-160.3-17.8-152.9151.3-96.500103.5
747E36.1Very low35Very low149 Ų149137.7 Ų137.770%0.69672%0.721SS**  cis-160.6110.71.7-162.3157.8-71.900104.4
748D35.1Very low35Very low130 Ų130135.4 Ų135.470%0.69572%0.72SS**  64.8138.7101.5-79-42.5000118.5
749T38.9Very low35.3Very low112 Ų112131.4 Ų131.469%0.68771%0.71SS**  cis-160.6135.2-36.430000112.6
750D35.3Very low35.3Very low137 Ų137132.1 Ų132.173%0.73371%0.714SS**  trans33.8129138.2-82.3-7.5000127.8
751I34.8Very low35.5Very low129 Ų129133.1 Ų133.166%0.66272%0.716SS**  88.198.8121.6-67.4173.3000123.4
752T31.8Very low35.6Very low120 Ų120133.7 Ų133.774%0.73672%0.715SS**  trans82.7149135.666.80000125.6
753K32.8Very low35.6Very low193 Ų193134.3 Ų134.384%0.83971%0.714SS**  trans94.9122.1159.5-66.9179.3-178.7169.90119.9
754C29.5Very low35.3Very low126 Ų126134.5 Ų134.585%0.85171%0.714SS**  trans38.3119.7144.5-56.90000122.7
755L30.7Very low35Very low168 Ų168132.9 Ų132.988%0.8870%0.704SS**  trans-5.7155.3141.8-72.6160.1000119.6
756P42.8Very low34.8Very low105 Ų105136 Ų13668%0.68271%0.707SS**  cis-140.2-178.2-6.341.8-24.4000116.2
757H29.9Very low34.5Very low169 Ų169134.6 Ų134.678%0.78271%0.713SS**  trans65.3148.8169-112-78.7000114.2
758V31.7Very low34.4Very low112 Ų112132.4 Ų132.468%0.67971%0.714SS**  cis-139133.726.8164.70000107.4
759S32.9Very low34.4Very low80 Ų80130.9 Ų130.956%0.55971%0.713SS**  48.3133.1111.7-27.20000115
760D35.8Very low34Very low139 Ų139132.3 Ų132.374%0.74372%0.717SS**  -175.5163.259.2-90-44.6000108.3
761E37.8Very low34.1Very low148 Ų148136.8 Ų136.869%0.69272%0.723SS**  cis-154162.68.8-103.3-107.188.900110.8
762E37.5Very low34.2Very low144 Ų144139.2 Ų139.267%0.67373%0.729SS**  trans47144.1153.3-62.4-154.7134.700123.2
763H36.3Very low34.3Very low136 Ų136138 Ų13863%0.6373%0.726SS**  cis-151.3125.6-2.9-149.3-102.9000107.4
764L32.1Very low34.4Very low135 Ų135137.6 Ų137.671%0.70772%0.724SS**  51.8124.279-68.4167.1000112.6
765T35.4Very low34.5Very low86 Ų86138.4 Ų138.453%0.52872%0.719SS.*  cis-156.6-169.810.7560000108.9
766R35.2Very low34.7Very low200 Ų200138.4 Ų138.476%0.75571%0.714SS**  cis-149.1158.72.6-115.4136.9-163.7129.2-7.6105.3
767S32.2Very low34Very low108 Ų108139.4 Ų139.476%0.75571%0.714SS**  55.8138.571.7-24.90000114.2
768S34.6Very low34.3Very low104 Ų104140 Ų14073%0.72771%0.714SS**  cis-167.713814.650.90000115.8
769S35Very low34.4Very low97 Ų97139 Ų13968%0.67871%0.712SS**  70.5119.9124.3-59.80000125.9
770N30.3Very low34.5Very low143 Ų143146 Ų14677%0.76573%0.726SS**  80.9157.2122.2-71.2-32.9000123.3
771R37.6Very low34.4Very low230 Ų230148 Ų14887%0.86873%0.728SS**  trans86138.6167.9-56.7171.2-177.6179.62.4114.7
772K36.3Very low34.3Very low180 Ų180147.3 Ų147.378%0.78373%0.728SS**  cis-157124.8-8.3-104.8175.2178.4-1790106
773S33.7Very low34.1Very low95 Ų95148.3 Ų148.366%0.66473%0.731SS**  82.7121.771.581.80000117.3
774K34.9Very low33.9Very low185 Ų185153.1 Ų153.180%0.80474%0.744SS**  trans70122.7148.9-74-176.7170.2-177.60121.9
775L32.5Very low33.7Very low142 Ų142150 Ų15074%0.74374%0.743SS**  61.7158.8125.6-57.3169.1000118.8
776H34.2Very low33.4Very low169 Ų169151.6 Ų151.678%0.78276%0.758SS**  cis-143.7177.210-153.5-92000111.5
777N28.6Very low33.1Very low125 Ų125147.4 Ų147.467%0.66876%0.76SS**  trans-103.6130.2-174.9-176.1-5.5000112.7
778K36.9Very low33.1Very low182 Ų182149 Ų14979%0.79177%0.765SS**  trans157.5116.3134.8-87.4170.7-180176.50117.1
779S32.4Very low33.1Very low90 Ų90149 Ų14963%0.62977%0.765SS**  71.3122.9124.8-54.50000124.7
780R34.7Very low33.2Very low227 Ų227149.1 Ų149.186%0.85777%0.766SS**  trans75148.5150.7-67.6-177.4-74.5-144.60.6115.7
781K33.8Very low33.5Very low181 Ų181147.1 Ų147.179%0.78776%0.763SS**  cis-159.7176.626-145.8174.1-175.2-176.20111.5
782L35.3Very low33.2Very low134 Ų134143.1 Ų143.170%0.70276%0.759SS**  trans101.4130.8158.6-53.5-169.5000120.2
783F34Very low33.1Very low166 Ų166139.7 Ų139.773%0.72876%0.757SS**  trans40.5127.2159.1-60.5-64.9000121.2
784R31.8Very low33.5Very low237 Ų237141.4 Ų141.489%0.89477%0.766SS**  49.9128.480.3-70.6-168.1177.8-169.5-0.9113.2
785G29Very low33.5Very low68 Ų68137.8 Ų137.870%0.70176%0.763SS**  cis154.7155.4-8.300000113.4
786S28.7Very low33.4Very low120 Ų120139.6 Ų139.684%0.83977%0.768SS**  trans66.1123.3162.1-55.60000121.6
787S29.6Very low33.4Very low112 Ų112137.5 Ų137.578%0.78376%0.761SS**  trans91.7156.6138.8-570000122.4
788T31.5Very low33.6Very low143 Ų143138.4 Ų138.488%0.87777%0.765SS**  trans68.3-179.917169.30000118.8
789S35.3Very low34Very low103 Ų103134.4 Ų134.472%0.7276%0.758SS**  -151159.6-127.852.10000116.7
790S35.6Very low34.1Very low99 Ų99136.3 Ų136.369%0.69276%0.761SS**  trans59.6120.6153.455.80000121.3
791S37Very low34.1Very low102 Ų102131.8 Ų131.871%0.71375%0.753SS**  trans61.3161.9153.481.20000117.5
792D31.6Very low34Very low145 Ų145130.2 Ų130.278%0.77575%0.749SS**  cis-132.9-176.210-98.6-67.2000113.5
793C34.2Very low34.2Very low109 Ų109132.9 Ų132.974%0.73675%0.754SS**  trans-69.2175.3-178-59.10000114.7
794P42.9Very low34.1Very low131 Ų131132.2 Ų132.285%0.85176%0.758SS**  -137.9160.7106.539-29.8000115.1
795S32.9Very low34.4Very low108 Ų108126 Ų12676%0.75575%0.751SS**  trans-125.1144.5167.1-63.10000108.6
796E32.2Very low34.8Very low180 Ų180131.7 Ų131.784%0.84176%0.759SS**  trans159.5147.8160.4-96179.8-155.100109.4
797I33.8Very low35.4Very low126 Ų126133.1 Ų133.165%0.64676%0.756SS**  cis-167.5150.5-17.6-136.1-173.6000111.2
798L32.1Very low35.7Very low144 Ų144131.2 Ų131.275%0.75475%0.754SS**  trans60.5173.2155.8-63.4172.9000120.3
799P45.9Very low35.9Very low98 Ų98131.4 Ų131.464%0.63675%0.749SS**  -141.9166.9-5242.1-26.7000118.1
800D33.4Very low36Very low130 Ų130134.7 Ų134.770%0.69575%0.751SS**  trans69.7121.3133.2-69.313.5000127.8
801L35.7Very low36.5Very low131 Ų131136.4 Ų136.469%0.68676%0.76SS**  69.7153.3126.9-89.358.2000122
802E32.6Very low36.4Very low149 Ų149134.1 Ų134.170%0.69675%0.752SS**  cis-162.2-172.2-3.8-146.1165.9-142.300113.6
803K37.7Very low36.5Very low189 Ų189136.4 Ų136.482%0.82276%0.755SS**  trans86.1126.5173.2-60.4-174.7176.4-177.80117.3
804L32Very low36.3Very low153 Ų153136.7 Ų136.780%0.80175%0.754SS**  cis101.6110.77.1-57.4175.8000119.3
805S37.7Very low35.9Very low106 Ų106138 Ų13874%0.74175%0.754SS**  trans-170.5127.1146.553.50000105.6
806E38.5Very low35.7Very low188 Ų188135.9 Ų135.988%0.87975%0.749SS**  -160116.160.1176.9173.2-132.200106.3
807I40.7Very low35.7Very low150 Ų150134.9 Ų134.977%0.76975%0.748SS**  76.8124.952.4-57.2165.8000111.3
808G36.1Very low35.8Very low72 Ų72136.1 Ų136.174%0.74276%0.755SS**  cis-166.6-164.6-1.600000109.3
809D35.2Very low35.9Very low146 Ų146134.3 Ų134.378%0.78175%0.754SS**  cis-159-150.9-5-160.2-101.2000110.2
810F38.1Very low35.4Very low172 Ų172137 Ų13775%0.75476%0.762SS**  trans-102.9164.6-169.1-75.5-96.4000115.6
811P46.1Very low35.9Very low136 Ų136135.8 Ų135.888%0.88376%0.762SS**  -132.21529038.3-29.4000113.2
812G35Very low35.9Very low54 Ų54134.3 Ų134.356%0.55776%0.763SS**  cis-179.2164.3-9.500000113.6
813K34.9Very low36.3Very low192 Ų192133.8 Ų133.884%0.83576%0.764SS**  trans49.8108.5136.5-60.9-170.6178.3-177.60118.8
814T30.1Very low36.6Very low115 Ų115129.1 Ų129.171%0.70675%0.754SS**  85.5158.95371.40000114.8
815D34.1Very low36.7Very low158 Ų158128.2 Ų128.285%0.84575%0.75SS**  trans83.4123.9176.2-43.53.1000112.1
816G27.3Very low36.4Very low65 Ų65130.2 Ų130.267%0.6775%0.747SS**  cis159-174.1-0.400000110.1
817I33.9Very low36.3Very low158 Ų158127.4 Ų127.481%0.8175%0.748SS**  trans81129162.9-46.9171.9000117.4
818L34.6Very low35.9Very low153 Ų153131.3 Ų131.380%0.80175%0.753SS**  trans68.7131.4157.4-94.434.5000124
819C35.4Very low36.1Very low106 Ų106132.2 Ų132.272%0.71675%0.746SS**  trans67.4104.4138.8-67.10000122.7
820D35.1Very low36.1Very low153 Ų153134.1 Ų134.182%0.81875%0.75SS**  -59131.5115.8-171.844.1000108.3
821P43Very low35.8Very low105 Ų105132.2 Ų132.268%0.68275%0.753SS**  -130.6173.567.728.4-6.5000112.9
822S36.3Very low35.5Very low101 Ų101131.1 Ų131.171%0.70675%0.746SS**  cis-156.4139.639.859.30000116.4
823N40Very low35.3Very low137 Ų137133.6 Ų133.673%0.73376%0.755SS**  trans-132.5107.5161.717937.4000110.3
824P44.3Very low35.1Very low92 Ų92129.8 Ų129.860%0.59775%0.751SS**  trans-128.5149.2156.132.1-17.4000111.4
825D34.6Very low35.3Very low134 Ų134133 Ų13372%0.71776%0.76SS**  cis-148.4142.2-8.6-92.2-43.6000106.3
826H31.3Very low35.3Very low148 Ų148127.7 Ų127.769%0.68574%0.735SS**  53.583.566.7-72.5-48.8000115.1
827S36.3Very low35.6Very low129 Ų129129.5 Ų129.590%0.90273%0.729SS**  trans-136.8113.9146.3-80.40000109.2
828R32.7Very low35.5Very low231 Ų231124.8 Ų124.887%0.87271%0.706SS**  trans-113.3-151.6-172.2-158.4-160.4168.4-160.8-1.1108.6
829P41Very low35.3Very low91 Ų91121.7 Ų121.759%0.59169%0.694SS**  -108.3-176.8-118.637.3-22000115.9
830Q33.9Very low35.2Very low186 Ų186122.3 Ų122.387%0.86969%0.69SS**  trans105.8161.1159.8-60.6-173.2-200117.5
831T32.6Very low35Very low132 Ų132122 Ų12281%0.8169%0.688SS**  trans-106.2-178.6-158.954.70000110.4
832P39.1Very low35Very low114 Ų114121.7 Ų121.774%0.7469%0.686SS**  cis-139-164.67.144.2-25.7000115.8
833S31.6Very low34.7Very low106 Ų106122.8 Ų122.874%0.74168%0.684SS**  trans107.5135.915577.70000119.4
834C31Very low34.3Very low111 Ų111123 Ų12375%0.7568%0.679SS**  trans18135.2156.362.30000120.6
835M33.8Very low33.6Very low182 Ų182124.3 Ų124.390%0.89768%0.681SS**SBendcis-146.3160.18.1-55.1171.158.300108.7
836S32.7Very low33.4Very low48 Ų48123.3 Ų123.334%0.33668%0.675SS.*  cis-140.7126.2-0.8-173.40000110.7N932 N933S836-N932 PolarHBondContact O-ND2 2.91Å; S836-N932 PolarHBondContact O-OD1 3.33Å; S836-N933 PolarHBondContact O-ND2 3.2Å; S836-N933 VanDerWaalsContact O-ND2 3.1Å
837N33.9Very low33.5Very low102 Ų102123.1 Ų123.155%0.54568%0.679SS.*  trans57.1-172.8160-67.3-17.3000118.1N931 N932N837-N931 HydrophobicContact CB-CB 3.94Å; N837-N932 WeakPolarHBondContact CB-OD1 3.49Å; N837-N932 PolarHBondContact O-ND2 3.17Å
838N32Very low33.1Very low60 Ų60123.8 Ų123.832%0.32167%0.673SS.*  -178.993.2-80.8163.321.7000111.3K930 N931 N932N838-K930 CarbonylContact O-C 3.51Å; N838-K930 WeakPolarHBondContact O-CB 3.24Å; N838-N931 CarbonylContact C-O 3.14Å; N838-N931 WeakPolarHBondContact CB-ND2 3.19Å; N838-N931 WeakPolarHBondContact O-CA 3.5Å; N838-N931 WeakPolarHBondContact O-CB 3.27Å; N838-N931 PolarHBondContact O-N 2.85Å; N838-N931 VanDerWaalsContact O-N 3.14Å; N838-N931 PolarHBondContact O-ND2 2.95Å; N838-N932 PolarHBondContact N-ND2 3.31Å; N838-N932 PolarHBondContact N-OD1 3.39Å
839T31.2Very low33Very low88 Ų88121 Ų12154%0.5467%0.669SS.*  trans24.5139.113041.60000121.4K930 N931T839-K930 CarbonylContact C-O 3.57Å; T839-K930 VanDerWaalsContact O-CB 3.27Å; T839-K930 WeakPolarHBondContact O-CB 3.18Å; T839-N931 PolarHBondContact N-O 2.9Å; T839-N931 VanDerWaalsContact N-O 3.15Å
840N32.1Very low32.4Very low118 Ų118123.5 Ų123.563%0.63168%0.682SS**  176.5173.898.5-94.6-52.9000117.3K930N840-K930 PolarHBondContact N-O 2.78Å
841N32.6Very low32Very low146 Ų146118.5 Ų118.578%0.78167%0.667SS**  trans-128168.6173.3-161.924.4000105.5
842P41.2Very low31.7Very low100 Ų100121.2 Ų121.265%0.64967%0.668SS**  cis-135.9-157.4-1.842-21.1000114.4
843D31Very low31.2Very low123 Ų123124.8 Ų124.866%0.65868%0.675SS**  trans104.1114.2142.4-120.214.5000121.1
844K31.5Very low31.3Very low142 Ų142125.5 Ų125.562%0.61767%0.667SS**  trans70.7104.8147.2-66.7177.8-176.768.40123.4
845N29.7Very low31.4Very low120 Ų120127.4 Ų127.464%0.64267%0.67SS**  88.4122.1124.7-63.92.9000122
846N31.1Very low31.5Very low112 Ų112122.7 Ų122.760%0.59965%0.648SS**  trans81.9110.6146.3-62.52.9000120.9
847N32Very low32Very low144 Ų144130.1 Ų130.177%0.7768%0.677SS**  trans68.1134.7150.7-54.53000116.5
848D29.3Very low32.4Very low144 Ų144131.3 Ų131.377%0.7768%0.683SS**  cis-132.6-179.112.9-89.6-47.7000112.8
849H28.9Very low33.1Very low171 Ų171132.3 Ų132.379%0.79269%0.685SS**  trans68.191.9166.4-94.2-79.7000118.6
850V29.1Very low34Very low144 Ų144137.2 Ų137.287%0.87370%0.702SS**  trans-122.6126.9139.6174.50000107.8
851C25.3Very low35.3Very low82 Ų82136.1 Ų136.155%0.55470%0.7SS**  trans-82.3157.1169.7-63.40000109.8
852F26.8Very low36.5Very low188 Ų188133.3 Ų133.383%0.82568%0.681SS**  trans71.289.2177-52.7-80.6000116.1
853E28Very low38.3Very low190 Ų190132.9 Ų132.989%0.88868%0.678SS**  -152.660.5125.8-112.6173.6-154.500109.5
854E34.8Very low41.1Very low120 Ų120129.1 Ų129.156%0.56166%0.658SS**SBendtrans-65141.8157.2-163.3165-17100106.6D856 K872E854-D856 VanDerWaalsContact C-N 3.26Å; E854-D856 PolarHBondContact O-N 2.81Å; E854-K872 IonicContact OE1-NZ 2.75Å; E854-K872 PolarHBondContact OE1-NZ 3.02Å; E854-K872 IonicContact OE2-NZ 3.52Å
855N33.1Very low44Very low152 Ų152124.1 Ų124.181%0.81365%0.646SS**  trans-78.273.1-168.8-81.6-132.7000111.3E857N855-E857 PolarHBondContact O-N 3.15Å
856D35.8Very low47.2Very low83 Ų83119.2 Ų119.244%0.44462%0.621SS.*G310 helixtrans-77.4-5-169.2-90.1-56.2000115.6E854 L858 H859E854-D856 VanDerWaalsContact C-N 3.26Å; E854-D856 PolarHBondContact O-N 2.81Å; D856-L858 PolarHBondContact O-N 2.86Å; D856-H859 WeakPolarHBondContact O-CB 3.36Å; D856-H859 PolarHBondContact O-N 3.41Å; D856-H859 IonicContact OD1-CE1 3.84Å; D856-H859 PolarHBondContact OD1-CE1 2.7Å; D856-H859 IonicContact OD1-CG 3.46Å; D856-H859 IonicContact OD1-ND1 2.68Å; D856-H859 PolarHBondContact OD1-ND1 2.69Å
857E42.1Very low50.1Low203 Ų203118.7 Ų118.795%0.94962%0.624SS**G310 helixtrans-660.5178.4-84.4-161.3132.700115.3N855N855-E857 PolarHBondContact O-N 3.15Å
858L43.9Very low53Low128 Ų128114.1 Ų114.167%0.6760%0.599SS**G310 helixtrans-109.96.8169.5-67.6178.3000113.9D856D856-L858 PolarHBondContact O-N 2.86Å
859H45.8Very low55.7Low80 Ų80114 Ų11437%0.3760%0.598SS.*SBendtrans-89-2.9-172.6-88.4-169.3000116.4D856 R874D856-H859 WeakPolarHBondContact O-CB 3.36Å; D856-H859 PolarHBondContact O-N 3.41Å; D856-H859 IonicContact OD1-CE1 3.84Å; D856-H859 PolarHBondContact OD1-CE1 2.7Å; D856-H859 IonicContact OD1-CG 3.46Å; D856-H859 IonicContact OD1-ND1 2.68Å; D856-H859 PolarHBondContact OD1-ND1 2.69Å; H859-R874 PolarHBondContact O-NH1 2.81Å; H859-R874 PolarHBondContact O-NH2 3.4Å
860E49.3Very low58.4Low192 Ų192108.3 Ų108.390%0.89759%0.586SS**SBendtrans-86.3-25173.9-64-160.3131.200114.3F862E860-F862 VanDerWaalsContact C-N 3.3Å; E860-F862 PolarHBondContact O-N 3.33Å
861T59.2Low61.5Low94 Ų94102.4 Ų102.458%0.57755%0.551SS**SBendtrans-77.8-11.4-171.6-32.90000114.3
862F59.3Low64.7Low88 Ų88106.4 Ų106.439%0.38656%0.559SS.*  trans-13079.7-170.9-62.6-60.9000111.7E860 I864 R874 F875E860-F862 VanDerWaalsContact C-N 3.3Å; E860-F862 PolarHBondContact O-N 3.33Å; F862-I864 PolarHBondContact O-N 3.17Å; F862-R874 HydrophobicContact CB-CB 3.88Å; F862-R874 PolarHBondContact O-NE 2.84Å; F862-R874 PolarHBondContact O-NH2 3.22Å; F862-R874 VanDerWaalsContact O-NH2 3.09Å; F862-F875 CarbonylContact C-O 3.51Å
863P78.5Confident67.9Low91 Ų91102.8 Ų102.859%0.59154%0.542SS*.  trans-68.5-16.2-169.225.2-34.2000114.8
864I90.3Very high71Confident44 Ų4498.1 Ų98.123%0.22652%0.517CS..EExtended strand (participates in β ladder)trans-109.3105.4-172.2-57.6172.4000110.3F862 R874 F875 V878 L881F862-I864 PolarHBondContact O-N 3.17Å; I864-R874 CarbonylContact O-C 3.05Å; I864-R874 WeakPolarHBondContact O-CA 3.31Å; I864-F875 PolarHBondContact N-O 3.19Å; I864-F875 PolarHBondContact O-N 2.88Å; I864-V878 HydrophobicContact CD1-CB 4.2Å; I864-L881 HydrophobicContact CG2-CB 4.02Å; I864-L881 HydrophobicContact CG2-CD2 3.46Å; I864-L881 VanDerWaalsContact CG2-CD2 3.46Å; I864-L881 HydrophobicContact CG2-CG 4.24Å
865G91.8Very high73.9Confident36 Ų3694 Ų9437%0.37150%0.497SS..EExtended strand (participates in β ladder)trans-75.3161.116900000113.1
866C96Very high76.5Confident17 Ų1790.4 Ų90.412%0.11548%0.484CS..  trans-72.1128.8164.2-167.30000110I868 C871 K873 F875 L881 H884 H890C866-I868 PolarHBondContact O-N 2.92Å; C866-C871 HydrophobicContact CB-CB 4.07Å; C866-K873 PolarHBondContact N-O 2.82Å; C866-F875 HydrophobicContact CB-CE2 4.35Å; C866-L881 HydrophobicContact CB-CD1 4.28Å; C866-H884 VanDerWaalsContact SG-CD2 3.56Å; C866-H884 PolarHBondContact SG-NE2 3.06Å; C866-H890 VanDerWaalsContact SG-CE1 3.58Å
867P93Very high79Confident101 Ų10191.3 Ų91.366%0.65649%0.485SS*.  trans-81.42.8-179.734.4-37.5000113.8
868I91.6Very high81.2Confident49 Ų4985.7 Ų85.725%0.25146%0.464SS..SBendtrans-90.6124177.4-64.1174.6000108.6C866 C871 L885 H890 L894C866-I868 PolarHBondContact O-N 2.92Å; I868-C871 WeakPolarHBondContact O-CB 3.46Å; I868-C871 PolarHBondContact O-N 2.96Å; I868-L885 HydrophobicContact CD1-CD2 3.57Å; I868-L885 HydrophobicContact CG1-CD2 4.1Å; I868-H890 HydrophobicContact CD1-CB 4.21Å; I868-H890 HydrophobicContact CG2-CB 3.96Å; I868-H890 WeakPolarHBondContact CG2-ND1 3.41Å; I868-L894 HydrophobicContact CG2-CD1 4.26Å
869D86.2Confident83.4Confident142 Ų14285.1 Ų85.176%0.75946%0.461SS*.THydrogen-bonded Turntrans-57.4143.7-167.9-152.9-8.2000113.2C871D869-C871 PolarHBondContact O-N 3.39Å; D869-C871 VanDerWaalsContact O-N 3.08Å
870G86.6Confident85.6Confident51 Ų5183.1 Ų83.153%0.52646%0.459SS..THydrogen-bonded Turntrans64.4-4.5-170.300000116.5K872G870-K872 PolarHBondContact O-N 2.8Å; G870-K872 VanDerWaalsContact O-N 3.11Å
871C93.2Very high87.7Confident20 Ų2075 Ų7514%0.13542%0.422CS..  trans-83.184.9175.7-165.60000112C866 I868 D869 K873 H884 H890 L893C866-C871 HydrophobicContact CB-CB 4.07Å; I868-C871 WeakPolarHBondContact O-CB 3.46Å; I868-C871 PolarHBondContact O-N 2.96Å; D869-C871 PolarHBondContact O-N 3.39Å; D869-C871 VanDerWaalsContact O-N 3.08Å; C871-K873 PolarHBondContact O-N 2.92Å; C871-H884 PolarHBondContact SG-NE2 2.96Å; C871-H884 VanDerWaalsContact SG-NE2 3.37Å; C871-H890 VanDerWaalsContact SG-CE1 3.56Å; C871-L893 HydrophobicContact CB-CD1 4.17Å
872K94Very high89.4Confident166 Ų16678.3 Ų78.372%0.72242%0.424SS*.  trans-58.48.9178-78.7-162.7166.6-164.40116.4E854 G870E854-K872 IonicContact OE1-NZ 2.75Å; E854-K872 PolarHBondContact OE1-NZ 3.02Å; E854-K872 IonicContact OE2-NZ 3.52Å; G870-K872 PolarHBondContact O-N 2.8Å; G870-K872 VanDerWaalsContact O-N 3.11Å
873K93Very high91Very high111 Ų11180.4 Ų80.448%0.48343%0.433SS..  trans-75.9132-179.9-68.3-168.6179.4-177.20112C866 C871 F875C866-K873 PolarHBondContact N-O 2.82Å; C871-K873 PolarHBondContact O-N 2.92Å; K873-F875 HydrophobicContact CB-CE2 3.84Å; K873-F875 HydrophobicContact CB-CZ 3.69Å; K873-F875 HydrophobicContact CD-CZ 4.35Å
874R94.3Very high91.8Very high93 Ų9376.4 Ų76.435%0.35141%0.406SS..EExtended strand (participates in β ladder)trans-120.3153177.6-52.5-175.570.9-165.9-4.8110.8H859 F862 I864H859-R874 PolarHBondContact O-NH1 2.81Å; H859-R874 PolarHBondContact O-NH2 3.4Å; F862-R874 HydrophobicContact CB-CB 3.88Å; F862-R874 PolarHBondContact O-NE 2.84Å; F862-R874 PolarHBondContact O-NH2 3.22Å; F862-R874 VanDerWaalsContact O-NH2 3.09Å; I864-R874 CarbonylContact O-C 3.05Å; I864-R874 WeakPolarHBondContact O-CA 3.31Å
875F95.1Very high91.9Very high32 Ų3277.4 Ų77.414%0.1441%0.412CS..EExtended strand (participates in β ladder)trans-138147.5-168.8-57.4-81.8000111.7F862 I864 C866 K873 A880 L881 H884F862-F875 CarbonylContact C-O 3.51Å; I864-F875 PolarHBondContact N-O 3.19Å; I864-F875 PolarHBondContact O-N 2.88Å; C866-F875 HydrophobicContact CB-CE2 4.35Å; K873-F875 HydrophobicContact CB-CE2 3.84Å; K873-F875 HydrophobicContact CB-CZ 3.69Å; K873-F875 HydrophobicContact CD-CZ 4.35Å; F875-A880 HydrophobicContact CB-CB 4.28Å; F875-A880 HydrophobicContact CD1-CB 3.83Å; F875-A880 HydrophobicContact CG-CB 4.39Å; F875-L881 HydrophobicContact CB-CB 4.38Å; F875-L881 HydrophobicContact CD2-CB 3.94Å; F875-L881 HydrophobicContact CD2-CD1 3.89Å; F875-L881 HydrophobicContact CE2-CD1 3.92Å; F875-L881 HydrophobicContact CG-CB 4.17Å; F875-H884 HydrophobicContact CE1-CB 3.8Å; F875-H884 HydrophobicContact CE2-CB 4.19Å; F875-H884 AromaticContact CE2-CD2 3.39Å; F875-H884 WeakPolarHBondContact CE2-CD2 3.5Å; F875-H884 HydrophobicContact CZ-CB 3.45Å; F875-H884 VanDerWaalsContact CZ-CB 3.45Å; F875-H884 AromaticContact CZ-CD2 3.21Å; F875-H884 WeakPolarHBondContact CZ-CD2 2.99Å; F875-H884 AromaticContact CZ-CG 3.4Å; F875-H884 VanDerWaalsContact CZ-CG 3.4Å
876S88.1Confident91.9Very high77 Ų7781.1 Ų81.154%0.53842%0.423SS..SBendtrans-83.2-17.6177.146.10000113.2
877H86.9Confident91.5Very high102 Ų10286.3 Ų86.347%0.47245%0.445SS..SBendtrans-150.9144.2-173.1-166.5-118.6000112L879 A880 L881H877-L879 PolarHBondContact O-N 3.12Å; H877-L879 VanDerWaalsContact O-N 3.17Å; H877-A880 WeakPolarHBondContact O-CB 3.18Å; H877-A880 PolarHBondContact O-N 2.86Å; H877-L881 PolarHBondContact O-N 2.92Å
878V90Very high91.1Very high85 Ų8584.1 Ų84.152%0.51543%0.43SS..Hα-helixtrans-59.4-30-176.567.20000113.1I864 A880 L881 R882I864-V878 HydrophobicContact CD1-CB 4.2Å; V878-A880 VanDerWaalsContact C-N 3.33Å; V878-A880 PolarHBondContact O-N 2.97Å; V878-L881 PolarHBondContact O-N 3.15Å; V878-R882 VanDerWaalsContact O-CB 3.31Å; V878-R882 WeakPolarHBondContact O-CB 3.45Å; V878-R882 PolarHBondContact O-N 2.96Å
879L89.4Confident90.5Very high116 Ų11686.7 Ų86.761%0.60745%0.452SS*.Hα-helixtrans-65.9-33.4174.2-64.8177000112.7H877 R882 F883H877-L879 PolarHBondContact O-N 3.12Å; H877-L879 VanDerWaalsContact O-N 3.17Å; L879-R882 PolarHBondContact O-N 3.07Å; L879-F883 WeakPolarHBondContact O-CB 3.23Å; L879-F883 PolarHBondContact O-N 3.27Å
880A91.2Very high90.4Very high39 Ų3981.3 Ų81.332%0.32242%0.422SS..Hα-helixtrans-75-38.9177.900000111.5F875 H877 V878 F883 H884F875-A880 HydrophobicContact CB-CB 4.28Å; F875-A880 HydrophobicContact CD1-CB 3.83Å; F875-A880 HydrophobicContact CG-CB 4.39Å; H877-A880 WeakPolarHBondContact O-CB 3.18Å; H877-A880 PolarHBondContact O-N 2.86Å; V878-A880 VanDerWaalsContact C-N 3.33Å; V878-A880 PolarHBondContact O-N 2.97Å; A880-F883 PolarHBondContact O-N 3.27Å; A880-H884 WeakPolarHBondContact O-CB 3.46Å; A880-H884 PolarHBondContact O-N 3.23Å
881L95Very high88.8Confident21 Ų2183.3 Ų83.311%0.1143%0.427CS..Hα-helixtrans-59-48.2167.6172.564000110.6I864 C866 F875 H877 V878 F883 H884 L885I864-L881 HydrophobicContact CG2-CB 4.02Å; I864-L881 HydrophobicContact CG2-CD2 3.46Å; I864-L881 VanDerWaalsContact CG2-CD2 3.46Å; I864-L881 HydrophobicContact CG2-CG 4.24Å; C866-L881 HydrophobicContact CB-CD1 4.28Å; F875-L881 HydrophobicContact CB-CB 4.38Å; F875-L881 HydrophobicContact CD2-CB 3.94Å; F875-L881 HydrophobicContact CD2-CD1 3.89Å; F875-L881 HydrophobicContact CE2-CD1 3.92Å; F875-L881 HydrophobicContact CG-CB 4.17Å; H877-L881 PolarHBondContact O-N 2.92Å; V878-L881 PolarHBondContact O-N 3.15Å; L881-F883 VanDerWaalsContact C-N 3.32Å; L881-F883 PolarHBondContact O-N 3.15Å; L881-H884 WeakPolarHBondContact O-CB 3.2Å; L881-H884 PolarHBondContact O-N 2.68Å; L881-H884 VanDerWaalsContact O-N 3.13Å; L881-L885 HydrophobicContact CD1-CD1 3.9Å; L881-L885 HydrophobicContact CD1-CD2 4.46Å; L881-L885 HydrophobicContact CD1-CG 3.91Å; L881-L885 HydrophobicContact CD2-CD1 4.28Å; L881-L885 HydrophobicContact CG-CD1 3.82Å; L881-L885 HydrophobicContact CG-CG 4.26Å; L881-L885 WeakPolarHBondContact O-CG 3.11Å; L881-L885 PolarHBondContact O-N 3.36Å
882R93.8Very high86.7Confident164 Ų16489.2 Ų89.262%0.61946%0.457SS*.Hα-helixtrans-64-37-178.5-165.6173.4-169.6165.73.3112.2V878 L879 N886V878-R882 VanDerWaalsContact O-CB 3.31Å; V878-R882 WeakPolarHBondContact O-CB 3.45Å; V878-R882 PolarHBondContact O-N 2.96Å; L879-R882 PolarHBondContact O-N 3.07Å; R882-N886 VanDerWaalsContact O-CB 3.29Å; R882-N886 WeakPolarHBondContact O-CB 3.42Å; R882-N886 PolarHBondContact O-N 2.88Å; R882-N886 PolarHBondContact O-OD1 3.07Å
883F93.9Very high84.7Confident132 Ų13284.5 Ų84.558%0.57944%0.44SS*.Hα-helixtrans-63.7-45.9171.2-174.4-86.6000111.3L879 A880 L881 L885 N886 H887L879-F883 WeakPolarHBondContact O-CB 3.23Å; L879-F883 PolarHBondContact O-N 3.27Å; A880-F883 PolarHBondContact O-N 3.27Å; L881-F883 VanDerWaalsContact C-N 3.32Å; L881-F883 PolarHBondContact O-N 3.15Å; F883-L885 PolarHBondContact O-N 2.77Å; F883-N886 PolarHBondContact O-N 3.14Å; F883-H887 HydrophobicContact CD1-CB 4.47Å; F883-H887 AromaticContact CD2-CD2 3.35Å; F883-H887 WeakPolarHBondContact CD2-CD2 3.43Å; F883-H887 AromaticContact CD2-NE2 3.82Å; F883-H887 HydrophobicContact CE1-CB 4.13Å; F883-H887 AromaticContact CE2-CD2 3.36Å; F883-H887 WeakPolarHBondContact CE2-CD2 3.49Å; F883-H887 AromaticContact CE2-NE2 3.76Å; F883-H887 AromaticContact CG-CD2 3.72Å; F883-H887 HydrophobicContact CZ-CB 4.27Å; F883-H887 AromaticContact CZ-CD2 3.74Å; F883-H887 WeakPolarHBondContact O-CB 3.07Å; F883-H887 PolarHBondContact O-CD2 3.46Å; F883-H887 VanDerWaalsContact O-CD2 3.24Å; F883-H887 PolarHBondContact O-N 2.96Å
884H95Very high82.5Confident7 Ų784.8 Ų84.83%0.03245%0.446CS..Hα-helixtrans-57.9-49.6175.8167.844.3000112.2C866 C871 F875 A880 L881 N886 H887 T888 H890C866-H884 VanDerWaalsContact SG-CD2 3.56Å; C866-H884 PolarHBondContact SG-NE2 3.06Å; C871-H884 PolarHBondContact SG-NE2 2.96Å; C871-H884 VanDerWaalsContact SG-NE2 3.37Å; F875-H884 HydrophobicContact CE1-CB 3.8Å; F875-H884 HydrophobicContact CE2-CB 4.19Å; F875-H884 AromaticContact CE2-CD2 3.39Å; F875-H884 WeakPolarHBondContact CE2-CD2 3.5Å; F875-H884 HydrophobicContact CZ-CB 3.45Å; F875-H884 VanDerWaalsContact CZ-CB 3.45Å; F875-H884 AromaticContact CZ-CD2 3.21Å; F875-H884 WeakPolarHBondContact CZ-CD2 2.99Å; F875-H884 AromaticContact CZ-CG 3.4Å; F875-H884 VanDerWaalsContact CZ-CG 3.4Å; A880-H884 WeakPolarHBondContact O-CB 3.46Å; A880-H884 PolarHBondContact O-N 3.23Å; L881-H884 WeakPolarHBondContact O-CB 3.2Å; L881-H884 PolarHBondContact O-N 2.68Å; L881-H884 VanDerWaalsContact O-N 3.13Å; H884-N886 VanDerWaalsContact C-N 3.31Å; H884-N886 PolarHBondContact O-N 3.01Å; H884-H887 PolarHBondContact O-N 2.99Å; H884-T888 VanDerWaalsContact ND1-CB 3.27Å; H884-T888 WeakPolarHBondContact ND1-CB 3.48Å; H884-T888 PolarHBondContact ND1-OG1 3.03Å; H884-T888 WeakPolarHBondContact O-CB 3.4Å; H884-T888 PolarHBondContact O-N 3.48Å; H884-T888 PolarHBondContact O-OG1 2.96Å; H884-T888 VanDerWaalsContact O-OG1 3.14Å; H884-H890 AromaticContact CE1-CE1 3.38Å; H884-H890 PolarHBondContact CE1-CE1 3.32Å; H884-H890 AromaticContact CE1-NE2 3.31Å; H884-H890 PolarHBondContact CE1-NE2 3.02Å; H884-H890 VanDerWaalsContact CE1-NE2 3.31Å; H884-H890 AromaticContact NE2-CE1 3.35Å; H884-H890 PolarHBondContact NE2-CE1 2.85Å; H884-H890 AromaticContact NE2-NE2 3.53Å
885L92.7Very high80Confident65 Ų6586 Ų8634%0.3446%0.46SS..Hα-helixtrans-62.7-34178.2-68.6172.6000113.1I868 L881 F883I868-L885 HydrophobicContact CD1-CD2 3.57Å; I868-L885 HydrophobicContact CG1-CD2 4.1Å; L881-L885 HydrophobicContact CD1-CD1 3.9Å; L881-L885 HydrophobicContact CD1-CD2 4.46Å; L881-L885 HydrophobicContact CD1-CG 3.91Å; L881-L885 HydrophobicContact CD2-CD1 4.28Å; L881-L885 HydrophobicContact CG-CD1 3.82Å; L881-L885 HydrophobicContact CG-CG 4.26Å; L881-L885 WeakPolarHBondContact O-CG 3.11Å; L881-L885 PolarHBondContact O-N 3.36Å; F883-L885 PolarHBondContact O-N 2.77Å
886N91.8Very high77.3Confident113 Ų11388.5 Ų88.560%0.60448%0.481SS*.Hα-helixtrans-80.2-29.1179.1-74.51.8000113.8R882 F883 H884R882-N886 VanDerWaalsContact O-CB 3.29Å; R882-N886 WeakPolarHBondContact O-CB 3.42Å; R882-N886 PolarHBondContact O-N 2.88Å; R882-N886 PolarHBondContact O-OD1 3.07Å; F883-N886 PolarHBondContact O-N 3.14Å; H884-N886 VanDerWaalsContact C-N 3.31Å; H884-N886 PolarHBondContact O-N 3.01Å
887H87Confident75.1Confident127 Ų12793.2 Ų93.259%0.58849%0.494SS*.Hα-helixtrans-122.7-2.5-167.4-60.5-69.9000114.8F883 H884F883-H887 HydrophobicContact CD1-CB 4.47Å; F883-H887 AromaticContact CD2-CD2 3.35Å; F883-H887 WeakPolarHBondContact CD2-CD2 3.43Å; F883-H887 AromaticContact CD2-NE2 3.82Å; F883-H887 HydrophobicContact CE1-CB 4.13Å; F883-H887 AromaticContact CE2-CD2 3.36Å; F883-H887 WeakPolarHBondContact CE2-CD2 3.49Å; F883-H887 AromaticContact CE2-NE2 3.76Å; F883-H887 AromaticContact CG-CD2 3.72Å; F883-H887 HydrophobicContact CZ-CB 4.27Å; F883-H887 AromaticContact CZ-CD2 3.74Å; F883-H887 WeakPolarHBondContact O-CB 3.07Å; F883-H887 PolarHBondContact O-CD2 3.46Å; F883-H887 VanDerWaalsContact O-CD2 3.24Å; F883-H887 PolarHBondContact O-N 2.96Å; H884-H887 PolarHBondContact O-N 2.99Å
888T85.4Confident72.5Confident55 Ų5596.7 Ų96.734%0.33751%0.508SS..SBendtrans-109.5120.3171.3-49.50000109.8H884 H890H884-T888 VanDerWaalsContact ND1-CB 3.27Å; H884-T888 WeakPolarHBondContact ND1-CB 3.48Å; H884-T888 PolarHBondContact ND1-OG1 3.03Å; H884-T888 WeakPolarHBondContact O-CB 3.4Å; H884-T888 PolarHBondContact O-N 3.48Å; H884-T888 PolarHBondContact O-OG1 2.96Å; H884-T888 VanDerWaalsContact O-OG1 3.14Å; T888-H890 PolarHBondContact O-CD2 3.1Å; T888-H890 PolarHBondContact O-N 3.44Å
889S78.7Confident69.8Low102 Ų102102 Ų10271%0.71352%0.524SS*.  trans-74.5110.2174.550.90000110.9C891S889-C891 PolarHBondContact O-N 3.08Å; S889-C891 VanDerWaalsContact O-N 3.15Å
890H84.2Confident66.7Low29 Ų29107.3 Ų107.313%0.13454%0.536CS..  trans-78.315.6176.5-69.1-100.3000114C866 I868 C871 H884 T888 N892 L893C866-H890 VanDerWaalsContact SG-CE1 3.58Å; I868-H890 HydrophobicContact CD1-CB 4.21Å; I868-H890 HydrophobicContact CG2-CB 3.96Å; I868-H890 WeakPolarHBondContact CG2-ND1 3.41Å; C871-H890 VanDerWaalsContact SG-CE1 3.56Å; H884-H890 AromaticContact CE1-CE1 3.38Å; H884-H890 PolarHBondContact CE1-CE1 3.32Å; H884-H890 AromaticContact CE1-NE2 3.31Å; H884-H890 PolarHBondContact CE1-NE2 3.02Å; H884-H890 VanDerWaalsContact CE1-NE2 3.31Å; H884-H890 AromaticContact NE2-CE1 3.35Å; H884-H890 PolarHBondContact NE2-CE1 2.85Å; H884-H890 AromaticContact NE2-NE2 3.53Å; T888-H890 PolarHBondContact O-CD2 3.1Å; T888-H890 PolarHBondContact O-N 3.44Å; H890-N892 PolarHBondContact O-N 2.78Å; H890-L893 PolarHBondContact O-N 2.86Å
891C51.2Low63.9Low93 Ų93111.6 Ų111.663%0.62856%0.56SS**THydrogen-bonded Turntrans-65.4-4.6-163.2-59.20000116.6S889S889-C891 PolarHBondContact O-N 3.08Å; S889-C891 VanDerWaalsContact O-N 3.15Å
892N49.4Very low60.7Low144 Ų144115.8 Ų115.877%0.7759%0.592SS**THydrogen-bonded Turntrans-115.46.4-179.5-66.9-15.2000113.8H890H890-N892 PolarHBondContact O-N 2.78Å
893L52.7Low57.7Low67 Ų67113.2 Ų113.235%0.35160%0.599SS.*SBendtrans-102.3-22.7-173-100.1163.8000115.4C871 H890C871-L893 HydrophobicContact CB-CD1 4.17Å; H890-L893 PolarHBondContact O-N 2.86Å
894L45.8Very low54.9Low117 Ų117114 Ų11461%0.61361%0.608SS**SBendtrans-91.9-18.7176.3-72.192.4000114I868 S896I868-L894 HydrophobicContact CG2-CD1 4.26Å; L894-S896 VanDerWaalsContact C-N 3.33Å; L894-S896 PolarHBondContact O-N 3.41Å
895D42.1Very low51.8Low119 Ų119121.4 Ų121.464%0.63665%0.647SS**G310 helixtrans-78.1-14.3-179.9-84.9-30.4000114.2H897 K898D895-H897 PolarHBondContact O-N 2.97Å; D895-K898 PolarHBondContact O-N 3.44Å
896S39.2Very low49.1Very low85 Ų85125.3 Ų125.359%0.59467%0.668SS**G310 helixtrans-64.6-20.5173.4-64.30000113.6L894L894-S896 VanDerWaalsContact C-N 3.33Å; L894-S896 PolarHBondContact O-N 3.41Å
897H40.9Very low46.3Very low175 Ų175129 Ų12981%0.8168%0.678SS**G310 helixtrans-115.810.5-178.9-71.6-78.7000114.6D895D895-H897 PolarHBondContact O-N 2.97Å
898K33.9Very low44Very low176 Ų176131.5 Ų131.577%0.76569%0.688SS**  trans-123.134.3172.2-83-174.4176.1175.20114.4D895 R900D895-K898 PolarHBondContact O-N 3.44Å; K898-R900 PolarHBondContact O-N 3.19Å
899K32.1Very low41.6Very low196 Ų196135.4 Ų135.485%0.85270%0.702SS**  trans-64.984.7158.3-84-171.3174.61790111P901K899-P901 WeakPolarHBondContact O-CD 3.17Å
900R24.6Very low39.4Very low228 Ų228136 Ų13686%0.8670%0.698SS**  trans-53.3114.8166.1-174.3-175.1-164.1177.54.9109.3K898 S902K898-R900 PolarHBondContact O-N 3.19Å; R900-S902 PolarHBondContact O-N 3.33Å; R900-S902 VanDerWaalsContact O-N 3.12Å
901P33.2Very low37.2Very low128 Ų128143.1 Ų143.183%0.83173%0.728SS**  trans-68.3112.6173.827.6-32.5000108.7K899K899-P901 WeakPolarHBondContact O-CD 3.17Å
902S28Very low36.2Very low109 Ų109143.9 Ų143.976%0.76273%0.73SS**  trans-83.7120.1178.154.10000110.7R900R900-S902 PolarHBondContact O-N 3.33Å; R900-S902 VanDerWaalsContact O-N 3.12Å
903S30Very low35.4Very low111 Ų111143.6 Ų143.678%0.77673%0.729SS**  trans57.6104.8164.1-161.30000116.7
904I34.8Very low34.5Very low149 Ų149145.4 Ų145.476%0.76474%0.742SS**  trans-140.8106.7131.4-123.1167000109.4L906I904-L906 HydrophobicContact CG1-CD1 4.42Å; I904-L906 HydrophobicContact CG2-CB 4.47Å; I904-L906 PolarHBondContact O-N 3.15Å
905D29.7Very low34Very low161 Ų161146 Ų14686%0.86175%0.751SS**  trans-85.594.9162.5-128.2-43.9000106.3
906L36.5Very low33.5Very low148 Ų148144.8 Ų144.878%0.77575%0.752SS**  trans-147.8135.8171.1-105.6148.2000109.4I904I904-L906 HydrophobicContact CG1-CD1 4.42Å; I904-L906 HydrophobicContact CG2-CB 4.47Å; I904-L906 PolarHBondContact O-N 3.15Å
907K33.7Very low33.2Very low189 Ų189147.8 Ų147.882%0.82276%0.76SS**  trans-125.3134.9-157.9-170.5174.4-172.5169.30107.9
908K38Very low32.8Very low180 Ų180148.2 Ų148.278%0.78376%0.764SS**  trans81.5148.1-173.8-55173.7168-161.80114
909Q35.3Very low32.7Very low138 Ų138144.7 Ų144.765%0.64576%0.758SS**  cis-156.4152.1-9.3-116173.9-9100111.1
910D33Very low32.7Very low115 Ų115141.3 Ų141.362%0.61575%0.753SS**  trans45.7118.7141.8-50.4-20.1000123.4
911F36.3Very low33.3Very low178 Ų178136.3 Ų136.378%0.78175%0.749SS**  trans59120.3133.7-77.4-88.6000123.5
912T31.7Very low33.4Very low108 Ų108135.9 Ų135.966%0.66374%0.744SS**  trans31.2121.9135.156.20000118.6
913D32.7Very low33.7Very low139 Ų139135.6 Ų135.674%0.74374%0.737SS**  -159.3133.964.1-108.1-43000116.4
914T33.9Very low34.1Very low104 Ų104133.8 Ų133.864%0.63872%0.722SS**  41.5108.8118.4-43.80000121.3
915T34.9Very low33.9Very low131 Ų131131.8 Ų131.880%0.80471%0.713SS**  trans57.9163.3148.363.10000121.7
916S31.5Very low34Very low92 Ų92129.1 Ų129.164%0.64370%0.703SS**  -169.8122.3-52.553.60000110.5
917I32.6Very low33.7Very low149 Ų149129 Ų12976%0.76470%0.702SS**  trans62.7117.8142.6-55168000119.6
918M31.9Very low33.5Very low184 Ų184126.1 Ų126.191%0.90670%0.696SS**  -115.6133.7126.9-68-176.671.900106.3
919T31.9Very low33.2Very low101 Ų101121.5 Ų121.562%0.6268%0.68SS**  cis95.514735.3-58.90000112.3
920T33.6Very low33.1Very low125 Ų125120.2 Ų120.277%0.76767%0.672SS**  trans76136.9-166.571.10000114.2
921T35.6Very low33.1Very low124 Ų124118 Ų11876%0.76166%0.661SS**SBendcis-147154.33.3-8.90000107.4
922T35Very low33.1Very low118 Ų118114.5 Ų114.572%0.72465%0.65SS**SBendcis-144.315814.7420000107.8
923T35Very low33.5Very low103 Ų103113.2 Ų113.263%0.63264%0.639SS**  cis179.3153.50.231.90000103.6
924T37.9Very low33.7Very low73 Ų73111.1 Ų111.145%0.44864%0.635SS.*  cis-170.8161.512270000105.9
925D31.7Very low33.9Very low107 Ų107109.8 Ų109.857%0.57264%0.635SS**  cis-177.8129.9-32.2-100.7-29.6000107.8
926T31.9Very low34.1Very low106 Ų106111.3 Ų111.365%0.6563%0.633SS**  trans44.2119.6146.463.50000121.6
927N28.7Very low34.3Very low144 Ų144113.6 Ų113.677%0.7764%0.638SS**  51146.4109.4-48-14.3000118.7
928D30.8Very low34.6Very low129 Ų129109.6 Ų109.669%0.6963%0.633SS**  cis-177.2163.649.7-154.80.1000113
929N31.4Very low34.8Very low84 Ų84106.9 Ų106.945%0.44963%0.632SS.*  trans67.6142.6163.2-65.6-80.8000118.9
930K33.5Very low35Very low111 Ų111106.6 Ų106.648%0.48363%0.634SS.*  cis-160.5168.512.3-126.5163.3-170.6132.40116.5N838 T839 N840N838-K930 CarbonylContact O-C 3.51Å; N838-K930 WeakPolarHBondContact O-CB 3.24Å; T839-K930 CarbonylContact C-O 3.57Å; T839-K930 VanDerWaalsContact O-CB 3.27Å; T839-K930 WeakPolarHBondContact O-CB 3.18Å; N840-K930 PolarHBondContact N-O 2.78Å
931N32.3Very low35.2Very low69 Ų69106.4 Ų106.437%0.36963%0.633SS.*  trans-3.3143.9176.1-19.5-92.9000123.8N837 N838 T839N837-N931 HydrophobicContact CB-CB 3.94Å; N838-N931 CarbonylContact C-O 3.14Å; N838-N931 WeakPolarHBondContact CB-ND2 3.19Å; N838-N931 WeakPolarHBondContact O-CA 3.5Å; N838-N931 WeakPolarHBondContact O-CB 3.27Å; N838-N931 PolarHBondContact O-N 2.85Å; N838-N931 VanDerWaalsContact O-N 3.14Å; N838-N931 PolarHBondContact O-ND2 2.95Å; T839-N931 PolarHBondContact N-O 2.9Å; T839-N931 VanDerWaalsContact N-O 3.15Å
932N37.6Very low35Very low104 Ų104107.4 Ų107.456%0.55663%0.629SS**  175.6155.8103.2-110.120.6000114.3S836 N837 N838S836-N932 PolarHBondContact O-ND2 2.91Å; S836-N932 PolarHBondContact O-OD1 3.33Å; N837-N932 WeakPolarHBondContact CB-OD1 3.49Å; N837-N932 PolarHBondContact O-ND2 3.17Å; N838-N932 PolarHBondContact N-ND2 3.31Å; N838-N932 PolarHBondContact N-OD1 3.39Å
933N39.4Very low34.9Very low80 Ų80109.5 Ų109.543%0.42864%0.635SS.*  cis-157.9138-21.2-151.3-105.6000108.7S836S836-N933 PolarHBondContact O-ND2 3.2Å; S836-N933 VanDerWaalsContact O-ND2 3.1Å
934S36.6Very low34.9Very low96 Ų96113.2 Ų113.267%0.67164%0.642SS**  trans45.5158.4143.8-46.80000122.4
935A38.7Very low34.6Very low76 Ų76115.2 Ų115.263%0.62866%0.658SS**  cis-140.9131.710.100000110.3
936E38.6Very low35.6Very low162 Ų162115.9 Ų115.976%0.75767%0.668SS**  80.5145.394.1-69.3-165.4125.400114.5
937N36.7Very low36.3Very low141 Ų141116.1 Ų116.175%0.75467%0.671SS**  cis-160.2160.4-9.6-100.2-30.3000107.4
938G37.2Very low36.4Very low64 Ų64115 Ų11566%0.6667%0.67SS**  cis165.8170.3-3.700000111.6
939S37.8Very low36.6Very low127 Ų127116.5 Ų116.589%0.88868%0.677SS**  trans69.2149.3173.4-88.70000119.2
940S36.2Very low36.7Very low95 Ų95117.5 Ų117.566%0.66469%0.69SS**  cis-156.9147-8.6-171.10000113.6
941T36Very low37.2Very low121 Ų121117.8 Ų117.874%0.74270%0.703SS**  trans-5.5173.9151.674.80000121.8
942H31.6Very low37.2Very low146 Ų146120.9 Ų120.968%0.67673%0.728SS**  cis-162.6-165.311.7-156.9-113000112.1
943L34.4Very low37.1Very low161 Ų161124.4 Ų124.484%0.84374%0.742SS**  trans107.7115.8167.3-60.7173.9000113.4
944K34.8Very low36.9Very low181 Ų181126 Ų12679%0.78776%0.757SS**  cis103.113718.1-158.3168.1-173.4171.50114.6
945C31Very low36.7Very low115 Ų115126.9 Ų126.978%0.77776%0.762SS**  trans-74156.3-155.1-47.40000116.8
946P53.1Low36.2Very low122 Ų122128.7 Ų128.779%0.79277%0.77SS**  trans-86.9164.6173.137.3-36.7000113.1
947P45.3Very low36.1Very low110 Ų110126.1 Ų126.171%0.71477%0.771SS**  trans-146.1157.6139.639-24.2000116.7
948T31.7Very low36Very low121 Ų121124.2 Ų124.274%0.74277%0.768SS**  trans73.1128142.743.40000124.4
949I35.7Very low36Very low161 Ų161126.7 Ų126.783%0.82677%0.773SS**  trans94.4127.6139-68.3161000119.7
950S31.6Very low35.7Very low104 Ų104128.3 Ų128.373%0.72777%0.77SS**  trans-89.9-166-179.9-9.40000112.1
951P45Very low35.6Very low118 Ų118129.1 Ų129.177%0.76678%0.776SS**  cis-130.4161.1-37.335-20.4000112.6
952C33.3Very low35.5Very low133 Ų133132.5 Ų132.590%0.89978%0.781SS**  trans-164.9159.9145-130.60000113.5
953Q34Very low35.2Very low179 Ų179129.3 Ų129.384%0.83679%0.787SS**  trans-100.7-173.3171.7-60-172.2-74.600110.4
954P35.8Very low35.2Very low114 Ų114128.3 Ų128.374%0.7478%0.781SS**  -134.1160.8-67.438.5-24.3000113.3
955S31.8Very low35.3Very low113 Ų113124.9 Ų124.979%0.7978%0.776SS**  trans-168.4145.4150.446.30000114.2
956S29.3Very low35.2Very low114 Ų114126.6 Ų126.680%0.79778%0.783SS**  trans-6.9146.9156.560.20000118.9
957S34.9Very low34.3Very low109 Ų109124.9 Ų124.976%0.76277%0.774SS**  cis-167.1161.732.577.60000110.1
958S35.6Very low33.6Very low101 Ų101123.4 Ų123.471%0.70678%0.778SS**  cis-141.1157.3-2.3-54.40000108.7
959P36.9Very low33.5Very low115 Ų115126.2 Ų126.275%0.74779%0.788SS**SBend-132.5177.6107.739.1-33.5000113.1
960L32.6Very low33.2Very low161 Ų161125.5 Ų125.584%0.84379%0.785SS**SBendtrans70.4151.2-178.6-89.866.4000116.9
961S33.6Very low33.1Very low113 Ų113127.3 Ų127.379%0.7979%0.787SS**PPolyproline II helixtrans-59142.4168.9390000111.8G963S961-G963 PolarHBondContact O-N 3.1Å
962K32.9Very low32.4Very low191 Ų191126.5 Ų126.583%0.8378%0.783SS**PPolyproline II helixtrans-66.1131177.3-62.7174.6-178.8176.10110.9I964K962-I964 HydrophobicContact CB-CG1 4.45Å
963G26.9Very low32.2Very low79 Ų79129.5 Ų129.581%0.81478%0.782SS**PPolyproline II helixtrans-83.5121.6156.300000110.3S961S961-G963 PolarHBondContact O-N 3.1Å
964I33.7Very low32.2Very low140 Ų140126.1 Ų126.172%0.71878%0.778SS**  trans-145.4128.5168.3-59.3-178.8000103.9K962K962-I964 HydrophobicContact CB-CG1 4.45Å
965T35.9Very low32Very low109 Ų109123.9 Ų123.967%0.66978%0.776SS**  cis-135.1152.912.3-11.50000111.1S967T965-S967 PolarHBondContact O-N 3.44Å
966T29.8Very low32.7Very low151 Ų151124.7 Ų124.793%0.92678%0.778SS**  trans-80.392.4150.148.20000109.5
967S33.2Very low32.7Very low87 Ų87126.7 Ų126.761%0.60878%0.779SS**  trans-140.9121166.650.40000106.8T965T965-S967 PolarHBondContact O-N 3.44Å
968G31Very low32.7Very low78 Ų78129.1 Ų129.180%0.80478%0.783SS**  trans-72.1148.2-160.200000114.5
969L29.7Very low33Very low181 Ų181130.4 Ų130.495%0.94879%0.789SS**  -145.5152.5123-105.7171.5000109.5
970L29.7Very low32.7Very low146 Ų146129.9 Ų129.976%0.76479%0.788SS**  trans-82.1151.7170.2-96.5160000110
971N28.6Very low32.7Very low142 Ų142127.5 Ų127.576%0.75978%0.784SS**  trans71.8156.6164.1-57.3-18.9000118.3
972S30.5Very low32.6Very low100 Ų100126.8 Ų126.870%0.69978%0.78SS**  trans-46.1156.7156-40.90000111.8
973F31Very low32.7Very low196 Ų196122.9 Ų122.986%0.8678%0.776SS**  -160.6138.698.9-96.2-67.4000110.6
974S32Very low32.9Very low108 Ų108124 Ų12476%0.75577%0.771SS**PPolyproline II helixtrans-62132.8153.2-52.60000107.6
975G32.1Very low33Very low68 Ų68122 Ų12270%0.70177%0.77SS**PPolyproline II helixtrans-56.8152.5154.800000109.3
976P46.5Very low33Very low129 Ų129122 Ų12284%0.83877%0.774SS**PPolyproline II helixcis-98.517436.736-37.4000116.5
977L30Very low33.3Very low157 Ų157119.9 Ų119.982%0.82277%0.766SS**PPolyproline II helixtrans-54.6133178.9-63.4149.5000114.1
978L34.4Very low33.4Very low160 Ų160120.3 Ų120.384%0.83877%0.769SS**  trans67.3165.5154.3-56.6160.7000116.9
979P42.5Very low33.6Very low127 Ų127121.4 Ų121.483%0.82576%0.764SS**  cis-118.1-156.4-17.337.7-21000112
980S31Very low33.7Very low105 Ų105117.8 Ų117.873%0.73475%0.754SS**  trans-103.5162.1-167.850.20000116.2
981S31.6Very low33.9Very low110 Ų110116 Ų11677%0.76975%0.754SS**  trans110.5137.5138.474.80000122.4
982S32.9Very low34Very low99 Ų99114.1 Ų114.169%0.69275%0.752SS**  trans66.7117.8148.958.20000124
983S33Very low34Very low108 Ų108116.7 Ų116.776%0.75576%0.757SS**  trans56.5150.413457.40000122.7
984S33Very low34.1Very low102 Ų102111.5 Ų111.571%0.71374%0.735SS**  cis-173.4149-19.350.70000112
985S34.6Very low34.1Very low98 Ų98110.8 Ų110.869%0.68572%0.72SS**  trans53.2121.5147.861.10000123.1
986S36.2Very low34.4Very low109 Ų109115.5 Ų115.576%0.76272%0.724SS**  trans48.9138.5139.956.40000121.6
987S36.4Very low33.8Very low108 Ų108118.1 Ų118.176%0.75573%0.725SS**  cis-165-148.4-3.8460000108.2
988S35.7Very low34Very low95 Ų95118.1 Ų118.166%0.66473%0.725SS**  cis-167.1168.95.73.60000111.8
989S34.2Very low34.2Very low102 Ų102119.5 Ų119.571%0.71372%0.724SS**  trans48.288.8154.655.10000121.4
990S33Very low33.5Very low104 Ų104118.1 Ų118.173%0.72771%0.707SS**  56.2112.7124.560.20000122.6
991S33.5Very low33.6Very low110 Ų110122.5 Ų122.577%0.76972%0.715SS**  trans59.6129.9140.258.30000121.2
992S31.2Very low33.3Very low101 Ų101121.8 Ų121.871%0.70671%0.71SS**  cis-171.1121.5-9.147.20000112.1
993L30.1Very low33Very low155 Ų155123.9 Ų123.981%0.81271%0.714SS**  trans165.9143.9134.2-90.7159.7000111.3
994Q31.7Very low32.9Very low87 Ų87124.7 Ų124.741%0.40771%0.709SS.*  trans38.2110.1162-102.547.258.700121.2P463P463-Q994 VanDerWaalsContact C-NE2 3.34Å; P463-Q994 PolarHBondContact O-NE2 3.04Å; P463-Q994 VanDerWaalsContact O-NE2 3.12Å
995Q33.5Very low32.8Very low93 Ų93129.3 Ų129.344%0.43571%0.712SS.*  49.7144117.5-87.4159.3-20.500121.2S462 P463S462-Q995 PolarHBondContact O-OE1 2.85Å; P463-Q995 PolarHBondContact O-NE2 3.04Å; P463-Q995 PolarHBondContact O-OE1 2.68Å
996Q38.3Very low32.8Very low167 Ų167130.3 Ų130.378%0.7871%0.71SS**  cis-165.5-165.2-2.3-149.4170.85.800109.5
997Q32.9Very low32.5Very low183 Ų183129.8 Ų129.886%0.85571%0.707SS**  trans119.8106.6130.5-160.1169.249.700118.6
998L34.3Very low32.2Very low158 Ų158134 Ų13483%0.82771%0.714SS**  trans-169.1135.2150.1-95.4172.3000104.5
999K37.9Very low31.9Very low188 Ų188136.8 Ų136.882%0.81772%0.721SS**  cis-154.5156.5-7.5-155.8178.8-169.1-174.40107.9
1000Q29.1Very low31.8Very low98 Ų98139.8 Ų139.846%0.45872%0.724SS.*  trans-83.2126.9169.7-82.3-163.2300111.4L1004Q1000-L1004 PolarHBondContact NE2-O 3.19Å; Q1000-L1004 PolarHBondContact OE1-O 2.75Å
1001E31.9Very low31.7Very low197 Ų197139.8 Ų139.892%0.92172%0.724SS**  trans-167.8129.7140.7-107.3178.6175.400105.5
1002S25.8Very low31.3Very low95 Ų95140.2 Ų140.266%0.66473%0.726SS**SBendcis-116.4139.67.658.40000113.2
1003N27.7Very low31.5Very low143 Ų143140.5 Ų140.577%0.76573%0.725SS**SBendtrans67.7125.6176.9-42.9-64000114.2
1004L29.9Very low32Very low125 Ų125139 Ų13965%0.65472%0.722SS**SBendcis-148.9132.15.3-171.871.3000109.1Q1000Q1000-L1004 PolarHBondContact NE2-O 3.19Å; Q1000-L1004 PolarHBondContact OE1-O 2.75Å
1005Y31.9Very low32Very low199 Ų199142 Ų14278%0.7874%0.74SS**  trans24.5109.8172.9-73.4-87.2000117.9
1006D32.7Very low32.2Very low119 Ų119146 Ų14664%0.63676%0.759SS**  cis78.2167.143.3-155.118.7000114.5
1007S31.6Very low31.8Very low99 Ų99142.6 Ų142.669%0.69275%0.753SS**  trans-88.1179-144.4-53.20000114.9
1008Q28.4Very low32.2Very low196 Ų196138.8 Ų138.892%0.91674%0.743SS**  trans-56.5139.8164.8-70.5-177.5-18.100111.4
1009L30.2Very low32.3Very low153 Ų153137.1 Ų137.180%0.80174%0.744SS**  trans-71.6149.3166.9-68.1162.1000110.4
1010Q32.9Very low31.8Very low165 Ų165133.9 Ų133.977%0.77173%0.732SS**  -165.6147.9104.5-148.7614.900113.6
1011S29.1Very low31.9Very low104 Ų104140 Ų14073%0.72775%0.752SS**  trans74.8140165.379.80000118
1012C27.1Very low31.9Very low120 Ų120136.8 Ų136.881%0.81174%0.737SS**  cis-173.1168.5-15.3-108.90000108.6
1013P35.3Very low32.1Very low106 Ų106137.8 Ų137.869%0.68873%0.731SS**  cis-126.8-143-24.439.3-20.3000110.4
1014V38.7Very low32.2Very low123 Ų123136.6 Ų136.675%0.74573%0.725SS**  trans74.5101.8179.2-168.60000113.6
1015L32.6Very low32.3Very low151 Ų151136 Ų13679%0.79173%0.727SS**  cis87.975.941.8-62.6168.6000115.9
1016Q38.7Very low32.1Very low178 Ų178134.5 Ų134.583%0.83273%0.729SS**  -178.8116.5126.6-99167.6-2800107
1017S28.6Very low31.9Very low94 Ų94133.1 Ų133.166%0.65773%0.729SS**  cis72.4149.935.492.10000114.9
1018T41.5Very low31.8Very low104 Ų104135.9 Ų135.964%0.63873%0.734SS**  trans5697.8166.851.60000117.4
1019S36.1Very low32.4Very low123 Ų123131.5 Ų131.586%0.8672%0.722SS**  -119.584.1118.867.10000108.6
1020E27.6Very low32.5Very low120 Ų120129.7 Ų129.756%0.56172%0.717SS**  trans-119.2150.3165.3-73.2-176.1100.700107.2Q1023E1020-Q1023 PolarHBondContact OE1-N 2.82Å
1021Y32.1Very low32.5Very low226 Ų226129.1 Ų129.189%0.88672%0.715SS**SBendcis-35.613514.1-60.8-92.7000120.2
1022H32.1Very low32.7Very low130 Ų130130.4 Ų130.460%0.60271%0.709SS**  cis-167.2130.8-32.6-137.8-107.9000108.8
1023Q29.1Very low33Very low116 Ų116131.1 Ų131.154%0.54270%0.702SS.*  trans66.6145.7145.4-90.3-170.4-73.300122.6E1020E1020-Q1023 PolarHBondContact OE1-N 2.82Å
1024D30Very low32.9Very low118 Ų118132 Ų13263%0.63170%0.701SS**  trans77.3117134.1-72.315000122.3
1025T32.3Very low32.4Very low113 Ų113133 Ų13369%0.69370%0.699SS**  80.8106.6116.6-58.80000120.1
1026M28.1Very low32.5Very low166 Ų166129.8 Ų129.882%0.81869%0.69SS**  trans75.2143.1141.6-63.8-83.1-168.900121.3
1027S28.3Very low32.3Very low91 Ų91126.1 Ų126.164%0.63668%0.68SS**  trans64.5117134-69.90000122.9
1028I28.3Very low32.6Very low157 Ų157129.6 Ų129.681%0.80569%0.685SS**  55.9131.4106.3-78.4171.4000118.5
1029P42.4Very low32.2Very low103 Ų103132 Ų13267%0.66969%0.689SS**  -141.9-152.4-66.629-1.9000110.7
1030V30.6Very low32Very low115 Ų115131.3 Ų131.370%0.69768%0.676SS**  trans72.5148.9156.4174.50000114.9
1031Q34.3Very low32.1Very low154 Ų154137 Ų13772%0.7269%0.694SS**  cis-140.4133.17.5-136.1132.410.600107.4
1032Q34Very low32Very low130 Ų130134.1 Ų134.161%0.60769%0.686SS**  86.7114.482.8-168.3174.520.900117.3
1033M32.4Very low31.8Very low135 Ų135136.7 Ų136.767%0.66569%0.69SS**  trans64.7133.4163.3-65.6-168.5-65.700118.3
1034N32.3Very low32Very low125 Ų125137 Ų13767%0.66869%0.688SS**  cis92.6117.433.2-169.725.6000112.3
1035M30.1Very low31.9Very low144 Ų144138.3 Ų138.371%0.70969%0.694SS**  -178.8141.8107.7-87.6-95.270.900115
1036S34.3Very low32.2Very low84 Ų84137.5 Ų137.559%0.58768%0.681SS**  trans70.5152.8134.6-65.90000121.7
1037T34.8Very low32.7Very low101 Ų101135.6 Ų135.662%0.6267%0.674SS**  cis-160.7-180-3.713.10000113.2
1038H34.7Very low33.2Very low166 Ų166136.9 Ų136.977%0.76967%0.67SS**  trans88.2143.4161.8-50.5-67.8000115.7
1039Q32.5Very low33.8Very low155 Ų155133.6 Ų133.672%0.72465%0.652SS**  cis-143.3155.5-10.6-90.7-117.1107.500107.2
1040N32.3Very low33.3Very low109 Ų109137 Ų13758%0.58366%0.656SS**  cis107.711019.8-174.826.3000113.7
1041Y28.4Very low33.4Very low240 Ų240137.5 Ų137.594%0.94165%0.654SS**  trans-151.3128.5155.1-101.7-71.6000109.1
1042K30.9Very low33.3Very low165 Ų165138.6 Ų138.672%0.71766%0.657SS**  trans-167.1177.5176.1-179.1173.8175.1-179.80108.1
1043W28.5Very low33.3Very low183 Ų183139.2 Ų139.269%0.69366%0.664SS**  trans75.7149.7172.7-46.177.4000112.3
1044Y32.1Very low33.4Very low124 Ų124140.6 Ų140.649%0.48667%0.668SS.*  cis-158.4144.97.2-141.3-17.1000112.2K1046 N1047Y1044-K1046 HydrophobicContact CD1-CB 4.27Å; Y1044-K1046 HydrophobicContact CD1-CG 3.69Å; Y1044-K1046 HydrophobicContact CD2-CG 3.92Å; Y1044-K1046 HydrophobicContact CE1-CB 4.24Å; Y1044-K1046 HydrophobicContact CE1-CG 3.65Å; Y1044-K1046 HydrophobicContact CE2-CG 3.9Å; Y1044-K1046 HydrophobicContact CG-CG 3.82Å; Y1044-N1047 PolarHBondContact OH-ND2 2.79Å
1045N29.2Very low33.6Very low145 Ų145139.9 Ų139.978%0.77567%0.669SS**  -157101.8119.2-106.9-5.9000106.3
1046K37.6Very low33.8Very low96 Ų96140 Ų14042%0.41767%0.672SS.*  81.4119.577.7-84.4-176.6169.2-1760109.5Y1044 E1048Y1044-K1046 HydrophobicContact CD1-CB 4.27Å; Y1044-K1046 HydrophobicContact CD1-CG 3.69Å; Y1044-K1046 HydrophobicContact CD2-CG 3.92Å; Y1044-K1046 HydrophobicContact CE1-CB 4.24Å; Y1044-K1046 HydrophobicContact CE1-CG 3.65Å; Y1044-K1046 HydrophobicContact CE2-CG 3.9Å; Y1044-K1046 HydrophobicContact CG-CG 3.82Å; K1046-E1048 HydrophobicContact CB-CG 4.36Å; K1046-E1048 HydrophobicContact CD-CG 3.99Å; K1046-E1048 VanDerWaalsContact CD-OE1 3.24Å; K1046-E1048 WeakPolarHBondContact CD-OE1 3.43Å; K1046-E1048 WeakPolarHBondContact CE-OE1 3.2Å; K1046-E1048 HydrophobicContact CG-CG 4.42Å; K1046-E1048 IonicContact NZ-OE1 2.84Å; K1046-E1048 PolarHBondContact NZ-OE1 3.08Å
1047N38.2Very low33.8Very low125 Ų125141 Ų14167%0.66868%0.675SS**  cis53.9164.445.9-58.1-25.3000112.5Y1044Y1044-N1047 PolarHBondContact OH-ND2 2.79Å
1048E39.7Very low33.7Very low119 Ų119143 Ų14356%0.55668%0.68SS**  trans173.3139.8138.5-78.3-130.5147.800106.2K1046K1046-E1048 HydrophobicContact CB-CG 4.36Å; K1046-E1048 HydrophobicContact CD-CG 3.99Å; K1046-E1048 VanDerWaalsContact CD-OE1 3.24Å; K1046-E1048 WeakPolarHBondContact CD-OE1 3.43Å; K1046-E1048 WeakPolarHBondContact CE-OE1 3.2Å; K1046-E1048 HydrophobicContact CG-CG 4.42Å; K1046-E1048 IonicContact NZ-OE1 2.84Å; K1046-E1048 PolarHBondContact NZ-OE1 3.08Å
1049Q39.8Very low33.7Very low88 Ų88143.1 Ų143.141%0.41168%0.683SS.*  cis-159.1-176.8-5.8-118-178.915.200106.9L1051Q1049-L1051 HydrophobicContact CG-CD1 4.29Å
1050K33.4Very low33.8Very low175 Ų175140.3 Ų140.376%0.76168%0.68SS**  cis-169.3157.532.1-131.1139.4179.2129.90106.6
1051L31.1Very low33.8Very low124 Ų124140.6 Ų140.665%0.64969%0.686SS**  cis-163.6168.1-28-162.366.5000107.6Q1049Q1049-L1051 HydrophobicContact CG-CD1 4.29Å
1052F33Very low34.1Very low178 Ų178135.6 Ų135.678%0.78168%0.676SS**  trans-112.1165.9170.5-111.3-88000109.9
1053D33.5Very low34.2Very low142 Ų142133.3 Ų133.376%0.75968%0.676SS**  trans-159.1130.7142.8-81.1-45.3000106.1
1054H36.1Very low34.7Very low164 Ų164129.9 Ų129.976%0.75968%0.675SS**  70.1132.555.6-7930.9000112.7
1055V35.1Very low35Very low111 Ų111130.2 Ų130.267%0.67369%0.685SS**  -169.3156.264.41580000111.9
1056N33.9Very low35.4Very low146 Ų146129.2 Ų129.278%0.78168%0.68SS**  trans73.9150.3159.3-78.5-2.8000121
1057V35.2Very low35.5Very low106 Ų106129.3 Ų129.364%0.64269%0.685SS**  cis-158.2130.9-4111.30000115
1058I33.5Very low35.5Very low141 Ų141129.8 Ų129.872%0.72369%0.687SS**  trans60135.7141.7-60.5172.3000124.4
1059M34.9Very low35.4Very low169 Ų169131 Ų13183%0.83370%0.698SS**  trans87.9108.3154.9-87.5177.7-158.100123.8
1060S33Very low35.4Very low96 Ų96131.5 Ų131.567%0.67171%0.711SS**  83.4111.3123.9-59.50000122.8
1061T33.8Very low35.4Very low116 Ų116130.7 Ų130.771%0.71272%0.715SS**  36139.8127.261.70000120.4
1062N32.9Very low35.8Very low134 Ų134130.3 Ų130.372%0.71772%0.723SS**  cis-170.1164.25.5-1100.4000108.1
1063T34.8Very low36.2Very low117 Ų117127.5 Ų127.572%0.71873%0.725SS**  trans45.1136.6148.857.40000120.1
1064T38Very low36.3Very low111 Ų111129.1 Ų129.168%0.68173%0.73SS**  cis-177.215513.9130000107.7
1065N38.3Very low36.4Very low131 Ų131128.1 Ų128.170%0.70173%0.731SS**  trans61.1149.5151.5-70.345.9000118.9
1066D38.5Very low36.5Very low125 Ų125127.7 Ų127.767%0.66873%0.732SS**  cis-146.3144.7-3.4-105.7-38.1000112.3
1067N38.5Very low36.8Very low97 Ų97126.3 Ų126.352%0.51973%0.729SS.*  trans25.4119.4148.8-75.6-25.5000124.1
1068N38.1Very low36.9Very low135 Ų135128.9 Ų128.972%0.72274%0.736SS**  90.7142127.2-65.9-28000123.3
1069N37.8Very low37.1Very low146 Ų146130.2 Ų130.278%0.78174%0.739SS**  trans71.790.7163.5-71-3.8000120.8
1070S40Very low37.1Very low97 Ų97126.6 Ų126.668%0.67873%0.731SS**  64.2100.8124.364.90000120
1071D33Very low37.2Very low158 Ų158128.1 Ų128.185%0.84574%0.735SS**  47.592.4124.2-57.2-18.3000118.9
1072S40.2Very low37.3Very low116 Ų116127.5 Ų127.581%0.81174%0.736SS**  -155.7136.8118.811.70000112.6M1074S1072-M1074 PolarHBondContact O-N 2.74Å
1073S41.3Very low37.5Very low120 Ų120129.5 Ų129.584%0.83974%0.738SS**  trans-34.4118178.552.30000116.7
1074M35.6Very low37.5Very low175 Ų175130.5 Ų130.586%0.86274%0.735SS**  trans-82.3120.7155.5-81.9-158162.700111S1072S1072-M1074 PolarHBondContact O-N 2.74Å
1075N38Very low37.3Very low143 Ų143134.8 Ų134.877%0.76574%0.738SS**  -174.5117.2103.7-94.7-68.9000108.2
1076S37.3Very low37.1Very low102 Ų102135 Ų13571%0.71374%0.739SS**  77.8131.788.6-1480000110.9
1077V39.3Very low37Very low118 Ų118134.7 Ų134.772%0.71574%0.738SS**  cis-157141.549.9168.30000111.2
1078M38.9Very low36.7Very low160 Ų160137.9 Ų137.979%0.78875%0.749SS**  trans56.4119.4159.4-63.3-71.4177.400122.9
1079H37.1Very low36.5Very low168 Ų168138.9 Ų138.978%0.77875%0.752SS**  19.1142.8113.6-64.5-70.5000120.2
1080S34.7Very low36.3Very low94 Ų94137.4 Ų137.466%0.65774%0.744SS**  cis-167.3151.412.5-118.10000115.6
1081V35.7Very low36Very low128 Ų128140.3 Ų140.378%0.77674%0.744SS**  trans73.2123.3146.6177.30000122
1082S34.6Very low36Very low102 Ų102141 Ų14171%0.71374%0.742SS**  trans91116149.6-79.50000123.7
1083K36.9Very low35.9Very low176 Ų176141.3 Ų141.377%0.76574%0.744SS**  trans80.9106.7139.7-67.9-178-179.3177.50122
1084Q35.6Very low35.8Very low139 Ų139138.9 Ų138.965%0.6574%0.738SS**  83.6123.9127.3-69.3-177.5-92.300122.2
1085R33.5Very low35.7Very low200 Ų200135 Ų13576%0.75573%0.728SS**  trans88.9108.1135.1-77.6175.3173163.9-3.4121.7
1086N35.3Very low35.6Very low135 Ų135136.7 Ų136.772%0.72273%0.729SS**  67.8126.5117-62.526.6000122.3
1087N35.7Very low35.5Very low120 Ų120140.7 Ų140.764%0.64273%0.733SS**  trans56.6117.9131.3-69.146.9000122.7
1088E31.2Very low35.1Very low163 Ų163146.5 Ų146.576%0.76274%0.743SS**  74.4167.9124.5-64.8-179.398.100121.4
1089M34.7Very low34.8Very low156 Ų156144.1 Ų144.177%0.76874%0.741SS**  trans86.393.4155.2-66.3-136.6-73.600120.7
1090N33.9Very low34.6Very low115 Ų115141.1 Ų141.162%0.61574%0.74SS**  83.1134.2110.6-87.2-54.9000122.2
1091K34.5Very low34.7Very low159 Ų159143.9 Ų143.969%0.69175%0.752SS**  trans74117.3135.3-70.1167-173.9172.70121.1
1092H33.2Very low34.5Very low172 Ų172142.5 Ų142.580%0.79675%0.748SS**  48.7128.6127.6-50.4-33.6000120.7
1093S37.4Very low34.6Very low122 Ų122146 Ų14685%0.85376%0.756SS**  172173.599.4530000112.2
1094G37.9Very low34.3Very low69 Ų69142.5 Ų142.571%0.71175%0.753SS**  trans74.698.5168.600000115.6
1095S34.4Very low34.1Very low94 Ų94140.6 Ų140.666%0.65776%0.755SS**  cis87.3127.127.5103.60000116.3
1096K37Very low34Very low178 Ų178137.7 Ų137.777%0.77476%0.755SS**  trans94111.6152.4-61.1161.6-173.6167.40120.9
1097K34.6Very low34Very low187 Ų187137.1 Ų137.181%0.81375%0.752SS**  74.6103.4122.3-67.2-176.7176.6-175.90122
1098R29.8Very low33.9Very low240 Ų240137.5 Ų137.591%0.90675%0.754SS**  58.592.498.3-168.5-158.1-163.8-158.98.4119
1099S33.9Very low34Very low109 Ų109136.1 Ų136.176%0.76275%0.752SS**  trans-170.5155.9148.845.90000108.8
1100S31.2Very low33.7Very low106 Ų106135 Ų13574%0.74175%0.749SS**  cis164.8106.4-39.748.10000106.1
1101T38.3Very low34.5Very low151 Ų151135.1 Ų135.193%0.92676%0.756SS**  trans-153.2165.2160.4-20.30000109.5
1102S31.1Very low34.3Very low99 Ų99134 Ų13469%0.69276%0.756SS**  trans-130.3-175.8-162.351.20000111.9
1103M35.5Very low34.6Very low177 Ų177133.8 Ų133.887%0.87276%0.759SS**  trans77.3149.9171.3-49.8-175.47700115.6
1104S31.4Very low34.3Very low102 Ų102133.4 Ų133.471%0.71375%0.747SS**  cis-160.6158.7-32.5-161.50000110.1
1105S31.3Very low34.2Very low99 Ų99136.4 Ų136.469%0.69275%0.746SS**  trans-6.5147.4169.4-49.80000123.3
1106N32Very low34.3Very low139 Ų139137.9 Ų137.974%0.74375%0.751SS**  trans99130.4144.9-69.8-5.6000121.7
1107N34.3Very low34.3Very low123 Ų123134.1 Ų134.166%0.65875%0.747SS**  trans72.7115.2147.6-62-10.8000117.8
1108N33.6Very low34.3Very low127 Ų127132.3 Ų132.368%0.67975%0.745SS**  73.4135.376.6-63.1-7.7000112.3
1109N33.2Very low34.6Very low135 Ų135127 Ų12772%0.72274%0.735SS**  cis-158.9176.3-5.6-101.3-21.4000109.3
1110N29.1Very low34.6Very low133 Ų133128.7 Ų128.771%0.71174%0.735SS**  trans-16.9139.2177-59.5-1.3000119.5
1111P49.9Very low34.7Very low116 Ų116130.2 Ų130.275%0.75374%0.74SS**  trans-64.3141.3156.830.7-33.4000110.4
1112I32Very low34.6Very low136 Ų136134 Ų13470%0.69774%0.737SS**  cis73.813245.9-53.7166.5000108D1114I1112-D1114 HydrophobicContact CG2-CB 4.09Å
1113I39.2Very low34.8Very low168 Ų168135.7 Ų135.786%0.86274%0.744SS**  -141.9160.553.6-40.3171.6000112
1114D31.5Very low34.9Very low113 Ų113133.3 Ų133.360%0.60474%0.739SS**  -176.6168.1-51.4-166.816000108.6I1112I1112-D1114 HydrophobicContact CG2-CB 4.09Å
1115I34.1Very low35.2Very low132 Ų132133.7 Ų133.768%0.67774%0.737SS**  trans58.2146.7162.146.6174.2000120.3
1116T36.4Very low35.3Very low125 Ų125133 Ų13377%0.76774%0.738SS**  cis-151.2153.615.8-15.30000114.7
1117S37Very low35.6Very low100 Ų100134.2 Ų134.270%0.69974%0.738SS**  trans58.396.2141.1-167.50000123.5
1118L35.3Very low35.6Very low148 Ų148133.8 Ų133.878%0.77574%0.741SS**  36.4135.6120.6-71.1166.9000124.1
1119N35.4Very low35.7Very low130 Ų130134 Ų13470%0.69575%0.746SS**  trans95.1115.9142.4-67.5-13000123.4
1120N35.7Very low35.7Very low143 Ų143132.1 Ų132.177%0.76574%0.744SS**  trans89.3115.5133.4-76-8.1000125.1
1121V32Very low35.9Very low138 Ų138131.9 Ų131.984%0.83675%0.746SS**  trans86.2156.1134178.20000119.1
1122R36.3Very low35.8Very low231 Ų231131.7 Ų131.787%0.87275%0.745SS**  trans-127.7163.5-161.5-67.5177.5170.7177.1-3.7114
1123T35.9Very low35.8Very low134 Ų134133.9 Ų133.982%0.82275%0.752SS**  trans-127.4134.9149.225.10000107.4
1124V36.9Very low35.6Very low127 Ų127129.2 Ų129.277%0.7775%0.745SS**  cis97.312635.11650000111.8
1125T37.2Very low35.7Very low110 Ų110129.6 Ų129.668%0.67576%0.757SS**  cis-170.8138.8-14.3-87.50000109.1
1126A35Very low35.8Very low86 Ų86128 Ų12871%0.71175%0.749SS**  trans-171.2115.3143.500000116.7
1127H36.8Very low35.5Very low163 Ų163125.1 Ų125.176%0.75573%0.729SS**  trans45.3141.6131-58.3-63.6000122.8
1128T36.2Very low35.7Very low115 Ų115127.7 Ų127.771%0.70673%0.733SS**  cis-161.414710.5-20000113.1
1129V34.3Very low35.9Very low132 Ų132127.6 Ų127.680%0.874%0.739SS**  trans60.1130.6156.1-1800000118.6
1130S33Very low36.1Very low95 Ų95124.7 Ų124.766%0.66474%0.74SS**  cis-169.3157.7-16.5-86.50000108
1131V35Very low36Very low127 Ų127125 Ų12577%0.7774%0.742SS**  cis87.3132.419.3-179.60000113.9
1132P46.5Very low36.1Very low112 Ų112125.3 Ų125.373%0.72774%0.738SS**  cis-137.7176.63.139.8-19.9000120.1
1133H33.1Very low35.9Very low182 Ų182121.8 Ų121.884%0.84374%0.736SS**  trans-50.8-177.8158.2-39.6-93.8000116.8
1134G33.2Very low35.9Very low70 Ų70120.5 Ų120.572%0.72273%0.733SS**  cis138.1131.9-10.700000116.8
1135S35.2Very low35.5Very low121 Ų121126.5 Ų126.585%0.84674%0.742SS**  trans66.9162.2164.2-103.30000120.1
1136L35.1Very low35.5Very low98 Ų98127 Ų12751%0.51375%0.75SS.*  cis-159.8154.8-5.2-168.580000110.8
1137D29.8Very low35.4Very low66 Ų66130.1 Ų130.135%0.35375%0.754SS.*  168.3163.1129.6-90-33.2000116.1H1150 Q1151 H1152D1137-H1150 IonicContact OD1-CE1 2.81Å; D1137-H1150 PolarHBondContact OD1-CE1 3.18Å; D1137-H1150 VanDerWaalsContact OD1-CE1 3.26Å; D1137-H1150 IonicContact OD1-ND1 2.89Å; D1137-H1150 PolarHBondContact OD1-ND1 3.17Å; D1137-Q1151 WeakPolarHBondContact OD2-CA 3.45Å; D1137-Q1151 WeakPolarHBondContact OD2-CG 3.36Å; D1137-H1152 PolarHBondContact OD2-N 2.81Å
1138I41.4Very low35.4Very low153 Ų153129.5 Ų129.579%0.78575%0.751SS**  trans87.6110.8166.7-53.6-172.8000120.7
1139V40.3Very low35.2Very low146 Ų146131.2 Ų131.289%0.88575%0.751SS**  trans31.8134.8138.6-1700000121.7
1140G38.8Very low35.4Very low70 Ų70129.9 Ų129.972%0.72274%0.736SS**  trans-161.3-49.7169.300000117.7
1141N33.1Very low35.6Very low150 Ų150130 Ų13080%0.80273%0.726SS**  trans79.6152.2173.8-153.812.5000119.3
1142L35.1Very low35.8Very low144 Ų144129.2 Ų129.275%0.75471%0.714SS**  trans6271.8169.4-58.9-175.6000120.3
1143N32.7Very low35.4Very low157 Ų157130 Ų13084%0.8471%0.708SS**SBend-159.5142.4105.1-114.7-29.9000113.5
1144S34.1Very low35.8Very low107 Ų107129 Ų12975%0.74870%0.703SS**  trans46.399.8159.5-62.60000121.7
1145R30.4Very low36Very low253 Ų253132.6 Ų132.696%0.95570%0.701SS**  trans34.197.4139.2-72.4174.8151.1174.8-7.7119.7
1146S35.2Very low36.2Very low121 Ų121134 Ų13485%0.84669%0.693SS**  -174.2121.5121.557.80000114
1147N33.4Very low36.3Very low150 Ų150132.6 Ų132.680%0.80270%0.703SS**  trans-0.4122.5168.8-601.4000123
1148H36.7Very low36.8Very low151 Ų151136.1 Ų136.170%0.69972%0.717SS**  trans61.5114.4133.3-68-63.5000124
1149Q33.4Very low36.6Very low151 Ų151135.7 Ų135.771%0.70671%0.712SS**  50.3141.3114.1-76.1176.3-57.100120.6
1150H38.4Very low36.4Very low104 Ų104136.3 Ų136.348%0.48171%0.705SS.*  cis-175-167.80.6-133.3-19.5000107.8D1137D1137-H1150 IonicContact OD1-CE1 2.81Å; D1137-H1150 PolarHBondContact OD1-CE1 3.18Å; D1137-H1150 VanDerWaalsContact OD1-CE1 3.26Å; D1137-H1150 IonicContact OD1-ND1 2.89Å; D1137-H1150 PolarHBondContact OD1-ND1 3.17Å
1151Q37.1Very low36.2Very low97 Ų97139.1 Ų139.145%0.45370%0.704SS.*  cis-167.3175.7-10.2-150.7160.8-11.800110.4D1137D1137-Q1151 WeakPolarHBondContact OD2-CA 3.45Å; D1137-Q1151 WeakPolarHBondContact OD2-CG 3.36Å
1152H38.1Very low36.5Very low110 Ų110140.4 Ų140.451%0.50971%0.705SS.*  trans81.5101.7142.6-76.5-44.3000124.3D1137D1137-H1152 PolarHBondContact OD2-N 2.81Å
1153H38.5Very low36.5Very low130 Ų130141.6 Ų141.660%0.60271%0.707SS**  71.8156.4116-70.6-4.5000123
1154H41Very low36.6Very low159 Ų159140 Ų14074%0.73670%0.703SS**  cis172.4169.3-27-97.52.7000108.6
1155H39.1Very low36.4Very low147 Ų147141.4 Ų141.468%0.68170%0.702SS**  cis-170-166.9-17.6176.260.7000108.5
1156H39.2Very low36.4Very low149 Ų149136.8 Ų136.869%0.6970%0.696SS**  trans83.1141.6176.9-63.2-90.5000117.3
1157G37.3Very low36.4Very low70 Ų70134.9 Ų134.972%0.72270%0.695SS**  cis172.7177.6-4.300000111.2
1158Q40.5Very low36.3Very low139 Ų139135.2 Ų135.265%0.6570%0.697SS**  cis-171173.7-11-152.7-172.15700110
1159Q36.6Very low36.1Very low144 Ų144132.9 Ų132.967%0.67370%0.698SS**  trans74.5149.5159.5-64.7175.934.700118.2
1160Q36.6Very low36.3Very low159 Ų159131 Ų13174%0.74369%0.688SS**  cis-152.6144.9-10.6-100.5168.465.300105.6
1161N34.4Very low36.7Very low129 Ų129131.6 Ų131.669%0.6970%0.7SS**  cis98.4100.535.5-17411.4000114.7
1162H38.5Very low36.6Very low177 Ų177137.5 Ų137.582%0.81972%0.72SS**  trans175.3-177.6138.6-95.917.6000114.7
1163Q35.9Very low36.4Very low170 Ų170137 Ų13779%0.79473%0.729SS**  trans-120.5150.1-150.8-65.6175.6-30.400117
1164T33.7Very low36.2Very low124 Ų124139.3 Ų139.376%0.76174%0.738SS**  trans62.4135.1147.748.60000123
1165N31.1Very low35.8Very low135 Ų135140.8 Ų140.872%0.72274%0.737SS**  trans80.6138155.5-74.227.2000121.4
1166D30.4Very low35.5Very low156 Ų156139.7 Ų139.783%0.83474%0.74SS**  trans56.1126.4154.4-52.8-37.3000121.2
1167G33.5Very low35.1Very low81 Ų81138.7 Ų138.784%0.83575%0.745SS**  trans159111.1168.600000114.9
1168N31.8Very low35.4Very low158 Ų158140.2 Ų140.285%0.84574%0.742SS**  trans-88.1145.2167.9-79.3-71.7000110.6
1169S33.6Very low35Very low102 Ų102139.7 Ų139.771%0.71375%0.749SS**  164.6117.6117-178.20000114.2
1170F37.9Very low34.7Very low112 Ų112138.1 Ų138.149%0.49175%0.753SS.*  25.6146.9129.8-67.3-78.3000121.6
1171P45.2Very low34.4Very low115 Ų115135.3 Ų135.375%0.74775%0.752SS**  cis-138.1135.535.337.1-18.3000118.5
1172Y36.1Very low34.2Very low221 Ų221134.5 Ų134.587%0.86776%0.756SS**SBend-155.2155.9109.4-120.7-93.7000109.8
1173S33.3Very low34Very low100 Ų100131.5 Ų131.570%0.69976%0.755SS**SBendtrans-68.3143.8-175-780000113.3
1174K34Very low33.9Very low179 Ų179129.1 Ų129.178%0.77876%0.757SS**  cis-148.6128.7-4.6-92.1160-176.6176.70106
1175R32.3Very low34.1Very low189 Ų189128.1 Ų128.171%0.71376%0.755SS**  58.612285.3-179.6-172-75.5-112.53114.3
1176T32.9Very low34.4Very low124 Ų124126.5 Ų126.576%0.76175%0.754SS**  cis-162.4161.5-11.520.80000110.1
1177T32.5Very low34.8Very low129 Ų129125.6 Ų125.679%0.79176%0.755SS**  trans-90.3-167.2166.948.80000111.4
1178P43.4Very low35.1Very low102 Ų102127.7 Ų127.766%0.66275%0.752SS**  -128.8174.6-5232-15.3000113.3
1179T30.8Very low36Very low128 Ų128126.3 Ų126.379%0.78575%0.751SS**  166.7154.4120.635.80000113.7
1180S31.4Very low36.2Very low110 Ų110130.5 Ų130.577%0.76975%0.751SS**  trans73.3137.2163.870.50000120.9
1181S30.5Very low36.1Very low101 Ų101130.2 Ų130.271%0.70676%0.755SS**  trans58.1101156.343.90000122.5
1182S30Very low35.7Very low111 Ų111132.8 Ų132.878%0.77676%0.755SS**  78.8147.212758.80000123.7
1183S32.9Very low35.7Very low115 Ų115127.2 Ų127.280%0.80475%0.748SS**  trans65.884.6160.949.20000120
1184S33.8Very low35.9Very low119 Ų119127.2 Ų127.283%0.83275%0.748SS**  trans-76.8158.7139.754.90000110.3
1185S38.4Very low35.9Very low104 Ų104126.8 Ų126.873%0.72775%0.746SS**  cis-149.9145.67.649.20000113.2
1186S36.9Very low36.2Very low101 Ų101125.4 Ų125.471%0.70675%0.748SS**  trans-7.5147.5149.359.10000119.2
1187T40.3Very low36.4Very low137 Ų137129.6 Ų129.684%0.8476%0.755SS**  -151.9163.953.338.70000114.4
1188T39.5Very low36.6Very low125 Ų125127.2 Ų127.277%0.76776%0.756SS**  trans-122.8161.1-17851.70000112.4
1189P51.4Low36.2Very low129 Ų129126.5 Ų126.584%0.83877%0.767SS**  -129.2-150.2118.939.9-33000112.8
1190R37.8Very low36.3Very low189 Ų189128.3 Ų128.371%0.71377%0.767SS**  trans-148.3166.2-145.9-90.1-178.5169.5-99.71112.2
1191D35.8Very low36.3Very low107 Ų107130.4 Ų130.457%0.57276%0.764SS**  cis-153.7-176.38.9-129.4-15.5000116.4
1192F35.6Very low36.4Very low168 Ų168133.6 Ų133.674%0.73777%0.768SS**  trans-36.9153162.6-67.6-71.8000117.7
1193S36Very low36.6Very low105 Ų105136.6 Ų136.673%0.73477%0.77SS**  cis-169.2-178.8-14.4-150.10000107.1
1194S37Very low36.4Very low99 Ų99138.9 Ų138.969%0.69277%0.768SS**  cis-150.5-161.510.5570000108.2
1195K35.7Very low36.3Very low171 Ų171140.6 Ų140.674%0.74377%0.767SS**  cis-159.1178.914-150174.9176.8-176.90109.6
1196H37.2Very low36.1Very low160 Ų160140 Ų14074%0.74176%0.763SS**  trans45.680.7166.6-74.1-77.3000118.6
1197K38.1Very low35.9Very low212 Ų212142.4 Ų142.492%0.92277%0.768SS**SBend174147.9106.1-97.6179.1176.5178.80111.6
1198G35.4Very low35.7Very low78 Ų78144.8 Ų144.880%0.80477%0.766SS**  trans74.4100.8164.600000115.7
1199G36.8Very low35.4Very low87 Ų87146.3 Ų146.390%0.89777%0.769SS**  trans-75.3161.7175.100000113.9
1200Q31.9Very low34.7Very low166 Ų166145.9 Ų145.978%0.77677%0.769SS**  trans-106.6162.8180-70.1-165.79.800113.5
1201Q31.8Very low34.6Very low154 Ų154145.1 Ų145.172%0.7277%0.773SS**  trans57.194.6148.4-72.3-178.975.100120
1202Q32.4Very low35Very low169 Ų169145.2 Ų145.279%0.7978%0.78SS**  59.5103.8106.6-170-174.6102.400119.9
1203Q33.6Very low35Very low173 Ų173143 Ų14381%0.80878%0.775SS**  -160.3122.1124.3-104.3165.946.200108.5
1204Q30.1Very low34.9Very low163 Ų163145.2 Ų145.276%0.76278%0.776SS**  55.9100.4100.8-71.2-160.217.400115.7
1205L31.8Very low34.9Very low155 Ų155149.5 Ų149.581%0.81278%0.782SS**  176.7164.7100.5-98.1164.2000113.3
1206S33.7Very low35Very low93 Ų93147.8 Ų147.865%0.6578%0.78SS**  trans68.896.7156-63.20000121.4
1207N31.9Very low35Very low150 Ų150146.3 Ų146.380%0.80278%0.777SS**  85129.1124-69.5-31.5000123.4
1208K35.9Very low34.9Very low187 Ų187143.5 Ų143.581%0.81377%0.772SS**  trans89.9115.7147.5-76.7-178177.9-176.90121.5
1209L34.4Very low34.8Very low158 Ų158146.3 Ų146.383%0.82777%0.769SS**  trans90.9147.7144.5-96.465.5000121
1210S36.3Very low34.7Very low119 Ų119149 Ų14983%0.83276%0.758SS**  trans61.575.3174.842.80000119
1211H35.1Very low34.7Very low174 Ų174148 Ų14881%0.80676%0.758SS**  trans-69.3175.1139.7-70.8-56.8000110.8
1212P45Very low34.8Very low109 Ų109148.6 Ų148.671%0.70877%0.766SS**  cis-127.5-179.9-21.120.23.8000111.8
1213N34.1Very low34.9Very low120 Ų120145.4 Ų145.464%0.64276%0.762SS**  cis-155.9139.9-23.7-104.2-11.5000110
1214M35.8Very low35.1Very low152 Ų152142.5 Ų142.575%0.74976%0.757SS**  trans24.3139.7141.7-52.6-170.8-67.700122
1215K36.1Very low35.3Very low189 Ų189139.7 Ų139.782%0.82275%0.75SS**  cis74.1145.142.4-68.3-172.7157.6-168.30114
1216I37.7Very low35.6Very low136 Ų136137 Ų13770%0.69774%0.735SS**  cis-152.8-176.96.7-128165.8000112.5
1217D36.3Very low35.8Very low129 Ų129134.9 Ų134.969%0.6972%0.716SS**  trans-78.3155.4-165.3-46.3-101.4000120.2
1218N37.5Very low36Very low152 Ų152135.6 Ų135.681%0.81371%0.709SS**  trans49.3112.3138.8-76.6-29.3000124.4
1219N33.2Very low36.2Very low138 Ų138130.4 Ų130.474%0.73870%0.696SS**  96.2138.4126.7-143.17.2000121.2
1220H35Very low36.3Very low144 Ų144131.7 Ų131.767%0.66769%0.69SS**  trans69.6111.7173.4-70.196.4000122.3
1221N31.8Very low36.4Very low145 Ų145134.6 Ų134.678%0.77568%0.684SS**  trans69.6135.9142.5-62.2-6.1000122.7
1222N33Very low36.3Very low165 Ų165132 Ų13288%0.88269%0.685SS**  trans73.3117.8166.1-78-7.8000121.6
1223S34.9Very low35.8Very low102 Ų102131.5 Ų131.571%0.71368%0.684SS**  trans77.888.5135.8-171.90000123
1224T37.2Very low35.8Very low113 Ų113130.3 Ų130.369%0.69370%0.7SS**  73.1140.5120.6-24.30000122.3
1225V34.2Very low35.5Very low103 Ų103127.5 Ų127.562%0.62470%0.695SS**  trans97.7106.3156.4-171.30000119.3
1226M39.2Very low35.3Very low100 Ų100125 Ų12549%0.49370%0.697SS.*  trans35.7145.6130.7-57.6-85.7-107.600122.3Y1239M1226-Y1239 HydrophobicContact CG-CD1 4.1Å; M1226-Y1239 HydrophobicContact CG-CG 4.46Å; M1226-Y1239 HydrophobicContact SD-CD1 3.65Å; M1226-Y1239 HydrophobicContact SD-CG 3.99Å
1227N37.1Very low35.1Very low47 Ų47125.9 Ų125.925%0.25170%0.698SS.*  cis-174.6156.7-17.5-158.62.4000112.6H1238 Y1239 G1240N1227-H1238 PolarHBondContact OD1-O 2.9Å; N1227-Y1239 VanDerWaalsContact CG-CB 3.45Å; N1227-Y1239 PolarHBondContact ND2-O 3.26Å; N1227-Y1239 WeakPolarHBondContact OD1-CB 3.49Å; N1227-Y1239 PolarHBondContact OD1-O 2.84Å; N1227-Y1239 VanDerWaalsContact OD1-O 3.09Å; N1227-G1240 PolarHBondContact ND2-N 3.25Å
1228Y37.2Very low35Very low166 Ų166125 Ų12565%0.65169%0.689SS**  trans58.9151167.7-58.6-41.4000117.1Y1239Y1228-Y1239 WeakPolarHBondContact CE1-O 3.47Å; Y1228-Y1239 PolarHBondContact OH-O 3.19Å; Y1228-Y1239 VanDerWaalsContact OH-O 3.07Å
1229S38.1Very low34.8Very low77 Ų77122.8 Ų122.854%0.53867%0.67SS.*  cis-167.1161.6-0.9-106.80000105.7
1230R37.1Very low34.8Very low185 Ų185118.1 Ų118.170%0.69865%0.654SS**  cis-167.1-179.3-5.3-117177.5-71.7143.91.3105.4
1231Y38.3Very low34.6Very low181 Ų181115.5 Ų115.571%0.7165%0.652SS**  cis-159.3-175.49.7-134.3-11.4000109.7S1233Y1231-S1233 VanDerWaalsContact C-N 3.34Å; Y1231-S1233 PolarHBondContact O-N 2.89Å
1232S33.7Very low34.8Very low119 Ų119115 Ų11583%0.83265%0.649SS**SBendtrans48.429.3157.5-590000120.7
1233S34.5Very low34.9Very low98 Ų98112.7 Ų112.769%0.68564%0.637SS**SBendtrans-146.3106.9143.942.80000107.8Y1231 S1235Y1231-S1233 VanDerWaalsContact C-N 3.34Å; Y1231-S1233 PolarHBondContact O-N 2.89Å; S1233-S1235 PolarHBondContact O-N 2.68Å
1234G33.2Very low34.9Very low95 Ų95114.5 Ų114.598%0.97963%0.634SS**  trans-76.733-152.500000117.7
1235S29.7Very low34.8Very low93 Ų93117.4 Ų117.465%0.6564%0.639SS**  trans-91.7137172.854.20000111.9S1233S1233-S1235 PolarHBondContact O-N 2.68Å
1236T32.5Very low34.8Very low138 Ų138117.7 Ų117.785%0.84765%0.646SS**  trans83.2134.9164.3-50.30000118
1237Q32.8Very low34.4Very low154 Ų154120.6 Ų120.672%0.7266%0.662SS**  trans-36.1144.9170.5-67.5-86.4-400116.6
1238H34.4Very low34.2Very low109 Ų109126.7 Ų126.751%0.50569%0.686SS.*  -168.9128110.2-116.6-105.1000111.7N1227N1227-H1238 PolarHBondContact OD1-O 2.9Å
1239Y34.2Very low34Very low107 Ų107123.8 Ų123.842%0.4269%0.69SS.*  trans35.9162.9144.4-77-98.8000121.6M1226 N1227 Y1228M1226-Y1239 HydrophobicContact CG-CD1 4.1Å; M1226-Y1239 HydrophobicContact CG-CG 4.46Å; M1226-Y1239 HydrophobicContact SD-CD1 3.65Å; M1226-Y1239 HydrophobicContact SD-CG 3.99Å; N1227-Y1239 VanDerWaalsContact CG-CB 3.45Å; N1227-Y1239 PolarHBondContact ND2-O 3.26Å; N1227-Y1239 WeakPolarHBondContact OD1-CB 3.49Å; N1227-Y1239 PolarHBondContact OD1-O 2.84Å; N1227-Y1239 VanDerWaalsContact OD1-O 3.09Å; Y1228-Y1239 WeakPolarHBondContact CE1-O 3.47Å; Y1228-Y1239 PolarHBondContact OH-O 3.19Å; Y1228-Y1239 VanDerWaalsContact OH-O 3.07Å
1240G31.9Very low33.7Very low39 Ų39126.8 Ų126.840%0.40270%0.696SS.*  cis-178.3169.5-4.600000108.3N1227N1227-G1240 PolarHBondContact ND2-N 3.25Å
1241S32.1Very low33.5Very low90 Ų90125 Ų12563%0.62970%0.699SS**  cis-125.8-137.1-4.2-147.40000107.7
1242L35.3Very low33.3Very low134 Ų134122.9 Ų122.970%0.70270%0.7SS**  cis-150.6140.32-17462.2000108.6
1243D35.3Very low33.2Very low117 Ų117122.8 Ų122.863%0.62669%0.69SS**  trans58.5141168.8-65.4-24.2000118.9
1244Q35.8Very low33Very low139 Ų139124.4 Ų124.465%0.6569%0.691SS**  cis-161.5132.5-20.5-124.8173.770.400108.9
1245Q35.1Very low33.1Very low174 Ų174130.6 Ų130.681%0.81369%0.687SS**  trans50.4155.5151.4-58.617229.600121.8
1246S33.9Very low33.4Very low110 Ų110133.5 Ų133.577%0.76969%0.692SS**  cis-173.6138.2-34.8-168.20000109.1
1247I30Very low33.4Very low160 Ų160134.4 Ų134.482%0.82169%0.688SS**  trans-149.3148.9172.2-47.4179.5000111.3
1248K32.8Very low33.4Very low175 Ų175133.5 Ų133.576%0.76169%0.688SS**  trans81.6153.6175.8-46.4-168.6176-168.50114.6
1249S32.6Very low33Very low105 Ų105136.8 Ų136.873%0.73471%0.709SS**  cis-158.1162.515670000110.6
1250E32.4Very low33Very low140 Ų140136.6 Ų136.665%0.65472%0.719SS**  cis-172.5-166.2-11.7-12669.7-78.200107.9
1251L33.6Very low33.1Very low147 Ų147142.1 Ų142.177%0.7774%0.736SS**  trans79.7105.2156.4-72.5167.9000123.9
1252N32.7Very low33.1Very low138 Ų138142 Ų14274%0.73873%0.734SS**  60.5146.8126.1-67.114.5000122.5
1253N31.6Very low32.9Very low117 Ų117144 Ų14463%0.62674%0.739SS**  cis-148.1170.618.7-138.232.8000114.4
1254D31.9Very low32.9Very low131 Ų131142.9 Ų142.970%0.70174%0.737SS**  trans62.193.8158.5-59.7-44.3000121.4
1255Y34.9Very low32.6Very low225 Ų225143.8 Ų143.888%0.88275%0.746SS**  -168.6152.2114.9-115.3-76.5000112.4
1256M34.7Very low32.5Very low155 Ų155140 Ų14076%0.76474%0.738SS**  trans75.180.5164.5-58.6-9847.700119.3
1257M34.3Very low32.5Very low157 Ų157141.8 Ų141.877%0.77374%0.739SS**  trans31.4111.5130.3-85.9-76.2-175.200120.7
1258N31.5Very low32.6Very low134 Ų134138.5 Ų138.572%0.71773%0.727SS**  trans47102.7137.9-76-27.1000120.3
1259L26.5Very low32.6Very low178 Ų178136 Ų13693%0.93273%0.726SS**  trans-93.1130.4144.3-168.577.2000108.6
1260T34.3Very low32.5Very low104 Ų104135 Ų13564%0.63872%0.724SS**  trans-155.6145.8172.7-320000112.6
1261M33Very low32.5Very low155 Ų155134.6 Ų134.676%0.76473%0.732SS**  trans73.1105.9172.7-52.4-50.4-71.200118.5
1262C33.2Very low32.4Very low87 Ų87131.4 Ų131.459%0.58873%0.726SS**  35.6136127-52.60000119.8
1263H30.9Very low32.5Very low175 Ų175130.6 Ų130.681%0.8173%0.726SS**  cis-120.7133.526.8-73.2-104.4000111.1
1264T34.3Very low32.6Very low95 Ų95130.2 Ų130.258%0.58373%0.729SS**  49.693.765.769.50000112.6
1265L31.2Very low32.7Very low158 Ų158129.4 Ų129.483%0.82773%0.729SS**  54.215769.1-69.6167.6000115.3
1266S31.8Very low32.5Very low93 Ų93125.8 Ų125.865%0.6572%0.722SS**  trans78.5130.6174.2-59.30000115
1267N34.5Very low32.5Very low148 Ų148122.6 Ų122.679%0.79172%0.715SS**  cis-122.3138.19.6-87.1-40.2000111.2
1268T32.3Very low32.4Very low91 Ų91120.9 Ų120.956%0.55871%0.713SS**  cis61.9131.927.768.10000115.7
1269T32.6Very low32.5Very low123 Ų123120.2 Ų120.276%0.75571%0.714SS**  cis-171.4148.1-5.7-96.90000109.1
1270A29.9Very low32.6Very low83 Ų83116.5 Ų116.569%0.68670%0.703SS**  trans63.5166.1160.900000116.9
1271T32.4Very low32.5Very low133 Ų133119.3 Ų119.382%0.81671%0.706SS**  cis-156.9167.1-1613.80000106.2
1272A33Very low32.3Very low79 Ų79121.3 Ų121.365%0.65371%0.705SS**  cis-14714026.500000109.9
1273T33.2Very low32.1Very low121 Ų121123.1 Ų123.174%0.74270%0.703SS**  52.9134.297.70.80000114.5
1274T34.1Very low32Very low109 Ų109121 Ų12167%0.66970%0.698SS**  -166.9129.272.8-60.60000114.1
1275T33.7Very low31.7Very low115 Ų115123.3 Ų123.371%0.70671%0.706SS**  trans65.4156.4160.958.40000119
1276M32.2Very low31.6Very low149 Ų149120.9 Ų120.973%0.73470%0.698SS**  cis-132.3159.420.5-91.1-85.393.100114.3
1277S33Very low31.7Very low88 Ų88122.1 Ų122.162%0.61570%0.701SS**  trans45.7111.1145.4-54.90000120.6
1278T33.6Very low31.5Very low120 Ų120120.7 Ų120.774%0.73669%0.693SS**  cis97.8127.94958.20000115.5
1279T32.3Very low31.5Very low120 Ų120123.9 Ų123.974%0.73670%0.702SS**  trans57102.4147.757.10000120.7
1280S30Very low31.6Very low100 Ų100126.3 Ų126.370%0.69971%0.705SS**  14.2133.2122.362.40000119.9
1281K30.5Very low31.5Very low164 Ų164129 Ų12971%0.71370%0.703SS**  -179.7139.6112.7-104.4175.3-177.4173.20113.2
1282W28.6Very low31.5Very low196 Ų196128.1 Ų128.174%0.74269%0.693SS**  trans68161.4139.6-70.73.7000117.4
1283K30Very low31.4Very low126 Ų126130.3 Ų130.355%0.54869%0.694SS.*  cis-162.4150.9-11.6-120.4174.6178.3171.40109.3
1284N28.3Very low31.3Very low130 Ų130130.5 Ų130.570%0.69570%0.695SS**  trans57-169.4150.8-56.7-4.5000114.2
1285L28Very low31.2Very low144 Ų144129.8 Ų129.875%0.75469%0.694SS**  cis-150.7164.8-23.5-144.265000104.7
1286T29.1Very low31.1Very low106 Ų106132.6 Ų132.665%0.6570%0.704SS**  cis-159-177.113.5-31.50000108
1287V34.7Very low31.2Very low120 Ų120129.7 Ų129.773%0.72770%0.698SS**  trans75.2114.1154.4165.90000115.3
1288N29.3Very low31.2Very low117 Ų117131.9 Ų131.963%0.62670%0.703SS**  cis85.2122.349.3-80.3-35.6000114.2
1289Q33Very low31.2Very low159 Ų159132.4 Ų132.474%0.74370%0.701SS**  trans66.9164.9147.7-59.8159.445.400114.3
1290Q34.2Very low31.3Very low174 Ų174133.4 Ų133.481%0.81370%0.702SS**  cis-142.5158.83.8-153.8160.5-6.300111.5
1291E28.3Very low31.4Very low138 Ų138135.5 Ų135.565%0.64570%0.703SS**  trans-80.3174-179.8-52.4164.696.700113.9
1292L32.2Very low31.6Very low115 Ų115134.5 Ų134.560%0.60270%0.704SS**  trans78.9112150.4-66.9156.4000120.6
1293N30.2Very low32Very low126 Ų126130.2 Ų130.267%0.67470%0.701SS**  85.1115123.7-72.1-0.3000123.3
1294T32.6Very low32.1Very low124 Ų124129.2 Ų129.276%0.76171%0.71SS**  76141128.758.20000121.7
1295S30.7Very low32.1Very low95 Ų95133.1 Ų133.166%0.66472%0.721SS**  cis178.9120.9-3642.20000110.7
1296L33Very low32.1Very low174 Ų174134 Ų13491%0.91173%0.726SS**  trans-172.4163.8155.3-125.666.7000107.2
1297S33.6Very low32.2Very low87 Ų87136 Ų13661%0.60873%0.732SS**  cis-150.2152162.30000112.1
1298N32.8Very low32.1Very low134 Ų134137.9 Ų137.972%0.71773%0.733SS**  trans56.2107.8142.3-65.14.7000120.7
1299N34.2Very low32.1Very low131 Ų131139.6 Ų139.670%0.70174%0.742SS**  trans99.2103.6130.9-57.2-8.6000120.1
1300N33.4Very low32Very low141 Ų141136.3 Ų136.375%0.75474%0.742SS**  trans70.7142.2139.6-59.8-8.7000118.4
1301M32.4Very low31.7Very low144 Ų144136.9 Ų136.971%0.70974%0.737SS**  cis-165.2136.9-0.9-126.2-177171.800111
1302I35.4Very low31.8Very low143 Ų143136.3 Ų136.373%0.73374%0.738SS**  trans64.3160.9141.3-72.8173.3000117.1
1303P37Very low31.8Very low106 Ų106134.8 Ų134.869%0.68873%0.73SS**  cis-123.5-174.5126.7-3.8000116.3
1304S31Very low31.9Very low105 Ų105133.3 Ų133.373%0.73472%0.719SS**  trans97.194.7161.9-40.40000114.8
1305F29.1Very low31.8Very low212 Ų212133 Ų13393%0.9371%0.712SS**  60.492.370.8-81.9-77.9000115.9
1306L28.5Very low32.3Very low162 Ų162133.1 Ų133.185%0.84871%0.711SS**  trans-163.3118.5141.4-110.8174.7000108.6
1307L30.4Very low32.4Very low150 Ų150131.4 Ų131.479%0.78571%0.708SS**  -175.7148.2129.4-125.870000114.6
1308Q32.1Very low32.2Very low159 Ų159131.8 Ų131.874%0.74371%0.71SS**  trans58.4120.1146.8-121.460.81.300124.1
1309N29.9Very low32.1Very low153 Ų153130.6 Ų130.682%0.81871%0.712SS**  trans-60145.3163.2-49.1-44.1000113.2
1310A30.6Very low32Very low90 Ų90130.2 Ų130.274%0.74472%0.715SS**  162.6134.3115.100000111
1311W28Very low31.8Very low186 Ų186133.2 Ų133.271%0.70572%0.718SS**  trans-137.9116.9179.2-95.966.1000111N1523 Y1524W1311-N1523 VanDerWaalsContact CE3-ND2 3.33Å; W1311-N1523 HydrophobicContact CZ3-CB 4.02Å; W1311-N1523 VanDerWaalsContact CZ3-ND2 3.25Å; W1311-N1523 WeakPolarHBondContact CZ3-ND2 3.13Å; W1311-Y1524 HydrophobicContact CB-CE1 4.02Å; W1311-Y1524 AromaticContact CD2-CE1 3.79Å; W1311-Y1524 HydrophobicContact CD2-CE1 3.79Å; W1311-Y1524 AromaticContact CE3-CD1 3.76Å; W1311-Y1524 HydrophobicContact CE3-CD1 3.76Å; W1311-Y1524 AromaticContact CE3-CE1 3.1Å; W1311-Y1524 HydrophobicContact CE3-CE1 3.1Å; W1311-Y1524 AromaticContact CE3-CZ 3.71Å; W1311-Y1524 HydrophobicContact CG-CE1 4.21Å; W1311-Y1524 AromaticContact CZ3-CD1 3.87Å; W1311-Y1524 HydrophobicContact CZ3-CD1 3.87Å; W1311-Y1524 AromaticContact CZ3-CE1 3.7Å; W1311-Y1524 HydrophobicContact CZ3-CE1 3.7Å; W1311-Y1524 PolarHBondContact O-OH 3.09Å
1312N31.8Very low31.5Very low125 Ų125131.4 Ų131.467%0.66871%0.714SS**  trans173.9151.9165.8-96.4-13.4000109.3Y1524N1312-Y1524 WeakPolarHBondContact CA-OH 3.18Å; N1312-Y1524 VanDerWaalsContact N-CE1 3.33Å; N1312-Y1524 PolarHBondContact N-OH 3.03Å; N1312-Y1524 PolarHBondContact OD1-OH 3.07Å
1313L31.7Very low31.4Very low84 Ų84133.6 Ų133.644%0.4472%0.722SS.*  cis-156179.5-7.6-161.866.8000107.9Y1524 G1525 T1526L1313-Y1524 HydrophobicContact CD1-CD2 4.22Å; L1313-Y1524 HydrophobicContact CD1-CE2 3.81Å; L1313-G1525 WeakPolarHBondContact O-CA 3.38Å; L1313-T1526 WeakPolarHBondContact O-CG2 3.48Å
1314Q31Very low31.3Very low94 Ų94133.5 Ų133.544%0.43972%0.724SS.*  trans37.1128.3158-60.5-36.467.300121.8G1525 T1526Q1314-G1525 CarbonylContact C-O 3.41Å; Q1314-G1525 VanDerWaalsContact C-O 3.29Å; Q1314-G1525 CarbonylContact O-C 2.79Å; Q1314-G1525 VanDerWaalsContact O-CA 3.3Å; Q1314-G1525 WeakPolarHBondContact O-CA 3.1Å; Q1314-T1526 WeakPolarHBondContact O-CA 3.5Å; Q1314-T1526 PolarHBondContact O-N 2.86Å
1315L32.2Very low31.2Very low118 Ų118136.6 Ų136.662%0.61873%0.728SS**  cis-168.6174.313.5-99.1160.2000111.6G1525L1315-G1525 VanDerWaalsContact N-C 3.31Å; L1315-G1525 VanDerWaalsContact N-N 3.11Å; L1315-G1525 PolarHBondContact N-O 2.99Å; L1315-G1525 VanDerWaalsContact O-O 3.11Å
1316P41.3Very low31.7Very low98 Ų98131.2 Ų131.264%0.63672%0.715SS**  trans-120.2159177.541.1-30.5000116.3
1317T33.7Very low31.8Very low137 Ų137131.6 Ų131.684%0.8472%0.717SS**  trans-172.8151.5154.441.40000109
1318S30Very low31.6Very low95 Ų95129.3 Ų129.366%0.66471%0.714SS**  cis164.1112.6-33.748.70000108.1
1319S30.1Very low31.6Very low109 Ų109131.2 Ų131.276%0.76272%0.72SS**  trans54.1132.315961.60000122.2
1320T31.4Very low31.5Very low124 Ų124130.5 Ų130.576%0.76172%0.716SS**  -177.5146.9112.925.10000113.9
1321Y30.6Very low31.5Very low204 Ų204132.8 Ų132.880%0.872%0.716SS**  trans57.9129.3151.4-78.3-125.3000119.7
1322T26.7Very low31.6Very low105 Ų105127.7 Ų127.764%0.64471%0.708SS**  cis107.9154.316.763.90000115.1
1323Q31.8Very low31.8Very low189 Ų189129.5 Ų129.588%0.88372%0.718SS**  trans88.4139.9-177.7-54.6178.798.800114
1324S34.8Very low31.9Very low105 Ų105132.1 Ų132.173%0.73473%0.726SS**  cis-138.8156.1-1.367.90000109.2
1325M28.8Very low32Very low169 Ų169134.6 Ų134.683%0.83374%0.738SS**  cis58.6142.546-75.6-65-146.500114.2
1326P39.4Very low32.1Very low100 Ų100136 Ų13665%0.64975%0.745SS**  cis-135.7-166.9-8.342-23.5000114.8
1327L31.6Very low31.8Very low169 Ų169137.7 Ų137.789%0.88575%0.745SS**  trans76.5138.1158-66.7172.2000121
1328S26.1Very low31.8Very low103 Ų103136.3 Ų136.372%0.7273%0.732SS**  trans-97.8144.8175.1-44.30000111.8
1329F31.2Very low31.9Very low199 Ų199139.7 Ų139.787%0.87373%0.734SS**  trans-171.7116.4135.9-86-67.7000104.1
1330N28.7Very low32.1Very low137 Ų137138.8 Ų138.873%0.73373%0.728SS**  65.1135.659.4-159.817.6000113.1
1331N30.5Very low32.3Very low139 Ų139138.2 Ų138.274%0.74373%0.725SS**  trans65.2154.3-167-75.9-39.2000117.3
1332S30.6Very low32.4Very low78 Ų78136.2 Ų136.255%0.54573%0.725SS.*  cis-179.9144.9-35.4-102.10000108.7
1333N35.8Very low32.8Very low164 Ų164137.9 Ų137.988%0.87773%0.73SS**  trans-14992.6149.4-81.7-42.3000104.9
1334K33.9Very low32.9Very low139 Ų139133.6 Ų133.660%0.60472%0.721SS**  53.4104.581.2-74.4-168.7157.5-73.50111
1335E33Very low32.8Very low146 Ų146135.7 Ų135.768%0.68272%0.723SS**  80.3133.898.3-75.7158.3-162.400111.7
1336D34.7Very low33.2Very low146 Ų146132.8 Ų132.878%0.78172%0.715SS**  cis-157.5-151.6-16.3-145.1-13.5000107.2
1337E34Very low33.1Very low135 Ų135135.6 Ų135.663%0.63172%0.724SS**  cis-157.1143.46-138.6-147.5146.100108.9
1338L33.6Very low33.2Very low108 Ų108130.9 Ų130.957%0.56572%0.716SS**  trans73.1158.8150.4-52.2176.4000120.3
1339K33.3Very low33.4Very low165 Ų165134.3 Ų134.372%0.71773%0.726SS**  cis-162.1173.1-6.1-115.9168.4-176.1107.90107.9
1340S33Very low34.2Very low90 Ų90130.5 Ų130.563%0.62972%0.721SS**  cis-163.2178.6-2.152.80000111.8
1341T35.3Very low34.4Very low113 Ų113129.7 Ų129.769%0.69373%0.726SS**  trans68.1107.6145.641.60000122.6
1342M33.4Very low34.7Very low161 Ų161128.1 Ų128.179%0.79373%0.726SS**  trans87.1118.7132.5-69.1-164.5-17700123.6
1343N34.8Very low34.9Very low140 Ų140132.3 Ų132.375%0.74974%0.741SS**  trans83.7123.3133-60.6-8.4000123.7
1344S33.9Very low34.9Very low100 Ų100135.1 Ų135.170%0.69974%0.741SS**  trans89.9110.3136.2-71.90000124.5
1345L34Very low35Very low149 Ų149135.5 Ų135.578%0.7875%0.749SS**  85.4120.5122.1-65.5170.4000124
1346T36.9Very low35.1Very low107 Ų107133.2 Ų133.266%0.65675%0.749SS**  89.7122.2129.651.20000124.6
1347N36.6Very low35.1Very low159 Ų159132.4 Ų132.485%0.8575%0.75SS**  trans65.6139146.7-49.8-15.7000118.6
1348G32.9Very low35.1Very low70 Ų70136.4 Ų136.472%0.72276%0.761SS**  cis173176.70.100000108.1
1349L32.1Very low35.3Very low176 Ų176136 Ų13692%0.92177%0.767SS**  cis-152.7173.11.3-75.1-178.5000109.4
1350P46.2Very low35.3Very low119 Ų119135.9 Ų135.977%0.77377%0.774SS**  trans-125.9-171.7-148.445.3-35.1000120.1
1351S34.2Very low35.3Very low120 Ų120139.5 Ų139.584%0.83978%0.783SS**  trans-171.3167.4-177.1-86.90000111
1352S36.1Very low35.2Very low106 Ų106139 Ų13974%0.74178%0.782SS**  cis-163.6-117.4-11.656.60000110.9
1353L34.4Very low35.3Very low165 Ų165137 Ų13786%0.86478%0.779SS**  trans81.5-170.2162.9-59.9169.5000120.9
1354Y36Very low35Very low224 Ų224137.4 Ų137.488%0.87878%0.78SS**  trans-152.1153.8-140.1-136.4-85000114.3
1355L37Very low35Very low146 Ų146139 Ų13976%0.76479%0.786SS**  trans77.9124.6154.4-14675.4000123.1
1356S34.9Very low35.1Very low98 Ų98136.8 Ų136.869%0.68578%0.783SS**  153.1140.5123.7-67.10000119.1
1357T35.2Very low35.2Very low130 Ų130137.2 Ų137.280%0.79879%0.79SS**  trans58.8120.3148.151.60000126.8
1358Y34.3Very low35.2Very low219 Ų219133.2 Ų133.286%0.85979%0.787SS**  trans46.2129140.1-81.9-76.1000126.6
1359S36.5Very low35.2Very low100 Ų100135.4 Ų135.470%0.69979%0.791SS**  trans67.3107141.5-66.10000124.3
1360N34Very low35.4Very low162 Ų162132.8 Ų132.887%0.86678%0.782SS**  trans62.2130.5148-80-14.2000122.8
1361M33.5Very low35Very low165 Ų165132.4 Ų132.481%0.81378%0.777SS**  trans-13.5150160.7-63.4-70.810200119.3
1362P32.9Very low34.9Very low102 Ų102132.9 Ų132.966%0.66277%0.77SS**  cis-138.5-167.124.840.1-20.1000115.8
1363T34.7Very low34.8Very low119 Ų119134.5 Ų134.573%0.7377%0.77SS**  trans44.9101.2158.349.30000118.6
1364L29.3Very low34.9Very low150 Ų150132 Ų13279%0.78577%0.767SS**  64.9113.869.9-69.8174.4000117.2
1365T33.7Very low35.2Very low134 Ų134126.9 Ų126.982%0.82276%0.761SS**  trans65.8166.4147.5690000116.8
1366S35.8Very low35.1Very low102 Ų102127 Ų12771%0.71376%0.761SS**  cis-147.2157.32.1-171.30000106.6
1367S38.2Very low34.9Very low116 Ų116128.9 Ų128.981%0.81176%0.764SS**  177160.257.5-53.30000107.5
1368G37Very low34.9Very low75 Ų75129 Ų12977%0.77376%0.764SS**  cis-158.2165.3-10.800000106.1
1369S33.4Very low35Very low116 Ų116127 Ų12781%0.81177%0.765SS**SBendcis-167142.741.9-1680000107.1
1370V35.9Very low35.4Very low120 Ų120127.1 Ų127.173%0.72776%0.763SS**  cis-158.21434106.20000110.6
1371V37.1Very low35.1Very low112 Ų112125 Ų12568%0.67976%0.759SS**  trans57.9104.7156.2178.10000118
1372N33.9Very low35Very low130 Ų130122.1 Ų122.170%0.69576%0.756SS**  77.5142.772.7-64.3-3.9000114.2
1373N33.7Very low34.9Very low139 Ų139121.9 Ų121.974%0.74376%0.756SS**  cis-165.4176.2-2.2-110.7-9.6000113
1374S35.6Very low35Very low114 Ų114122.7 Ų122.780%0.79776%0.762SS**  trans101.2115.4154.6-54.40000120.5
1375P43.6Very low35.4Very low115 Ų115120.9 Ų120.975%0.74776%0.759SS**  trans-139.7-173.2175.644.4-28.7000116.9
1376I33.3Very low35.4Very low148 Ų148119.2 Ų119.276%0.75975%0.753SS**  trans95.1134.2153.3-69.8166.4000121.8
1377N32.1Very low35.2Very low139 Ų139122.6 Ų122.674%0.74376%0.762SS**  trans101.7120.3147.4-93.2-3.5000126.1
1378T34.5Very low34.8Very low131 Ų131121.8 Ų121.880%0.80476%0.756SS**  trans66.5146.2137.850.20000125.4
1379M36.9Very low34.5Very low178 Ų178125 Ų12588%0.87775%0.753SS**  trans-69174172.5-71.5-82.5-175.800114.5
1380P43.9Very low34.5Very low102 Ų102128.3 Ų128.366%0.66275%0.749SS**  cis-133.9-172.3-1037.3-18.4000115.3
1381C27.3Very low34.4Very low117 Ų117129.6 Ų129.679%0.79175%0.747SS**  trans77.1153.7151.6-710000121.9
1382S31.4Very low34.2Very low105 Ų105131.5 Ų131.573%0.73475%0.75SS**  trans51100.616049.80000120.9
1383S31.7Very low34.2Very low97 Ų97130.4 Ų130.468%0.67875%0.753SS**  27.2114.3129.856.30000121.3
1384T35.8Very low34.1Very low137 Ų137130.2 Ų130.284%0.8476%0.757SS**  trans68.4160145.364.50000119.3
1385P39.3Very low33.9Very low111 Ų111129.1 Ų129.172%0.72176%0.755SS**  cis-131.3151.7-16.528.2-6.9000116.6
1386S32Very low33.3Very low100 Ų100129.4 Ų129.470%0.69976%0.759SS**  trans25.8131.3144.965.90000125.1
1387L32.2Very low33.1Very low172 Ų172130.8 Ų130.890%0.90176%0.763SS**  trans79.6115.1132.4-70.2166.7000122.5
1388S30Very low33.5Very low100 Ų100129.5 Ų129.570%0.69976%0.762SS**  trans-131.9157.1131.963.90000107.7
1389M30.6Very low33.5Very low143 Ų143131.5 Ų131.570%0.70476%0.76SS**SBendcis-122156.95.6-48.1-99.2-67.500108.7
1390Y33.5Very low33.6Very low184 Ų184128.7 Ų128.772%0.72275%0.749SS**  cis-147.9163.2-17.5-106.9-160.3000102.1
1391E33.6Very low33.2Very low147 Ų147129.9 Ų129.969%0.68775%0.749SS**  cis-159.4-171.327.3-143164.8165.500110.3
1392M34Very low33.6Very low152 Ų152129.4 Ų129.475%0.74975%0.747SS**  trans-23.1128176.7-61.5156.7-154.100116.9
1393S32.2Very low33.8Very low107 Ų107133.7 Ų133.775%0.74875%0.753SS**  69127.559.7-63.30000116
1394T32Very low33.9Very low135 Ų135138.4 Ų138.483%0.82876%0.764SS**  trans62.9122.416050.60000121.1
1395A31.6Very low33.7Very low91 Ų91141.8 Ų141.875%0.75276%0.763SS**  trans68130146.200000121.1
1396S32.2Very low33.4Very low121 Ų121144.8 Ų144.885%0.84677%0.771SS**  trans76.9160.6159.8-31.20000117.8
1397Q28.7Very low34.1Very low177 Ų177144.2 Ų144.283%0.82777%0.765SS**  trans-71.1151.7166.4-56.4-174.7-15.500109.6
1398P40Very low34.1Very low113 Ų113142 Ų14273%0.73476%0.764SS**  -151.615772.937-15.9000119.2
1399F35.3Very low34.2Very low172 Ų172144.7 Ų144.775%0.75477%0.77SS**  trans50.9125.8141.7-81.3-104.4000124
1400N38.3Very low34.4Very low120 Ų120146.9 Ų146.964%0.64278%0.778SS**  49.1148.5124.7-66.445.5000121.9
1401D36.3Very low34.4Very low127 Ų127146 Ų14668%0.67978%0.78SS**  cis-153.7144.4-4.6-100.3-40.5000107.4
1402S35.2Very low34.5Very low107 Ų107146.6 Ų146.675%0.74878%0.783SS**  174.4159.989.6-69.30000112.3
1403K34.8Very low34.3Very low195 Ų195145.4 Ų145.485%0.84878%0.779SS**SBendtrans75.475.9165.1-62.3-176.5-179.5177.60118.2
1404Q34.9Very low34.3Very low196 Ų196148.5 Ų148.592%0.91679%0.786SS**  trans6587.3140.7-64.7179.4-13.300117.8
1405Y31.6Very low34.3Very low207 Ų207145.4 Ų145.481%0.81278%0.781SS**  trans-144.7130.8170.1-115.3-100.8000109.1P1407Y1405-P1407 HydrophobicContact CD1-CG 4.3Å
1406I32.9Very low34.4Very low175 Ų175147.5 Ų147.590%0.89779%0.785SS**  trans-150.2108.5146.8-54.4-175.5000109.9
1407P46.4Very low34.4Very low87 Ų87146.5 Ų146.557%0.56578%0.778SS**  trans-132.515915138.5-27.9000112.4Y1405Y1405-P1407 HydrophobicContact CD1-CG 4.3Å
1408S32.6Very low34.6Very low127 Ų127144.3 Ų144.389%0.88877%0.772SS**  trans176.3159.3145.8-85.80000113.7
1409N31.4Very low34.3Very low155 Ų155147 Ų14783%0.82978%0.775SS**  trans-93.9159.6177.7-61.6-51.9000112.5
1410H34.7Very low34Very low189 Ų189144 Ų14488%0.87578%0.775SS**  trans-157.1162.4145.5-111-78.3000112.3
1411H33.1Very low33.8Very low165 Ų165142.2 Ų142.276%0.76478%0.777SS**  trans-51.7152.4174.3-75.1-141.1000112.4
1412H35.5Very low33.6Very low160 Ų160143.2 Ų143.274%0.74178%0.782SS**  -169-175.467.5-145.5-105.4000114.2
1413L31Very low33.4Very low128 Ų128144.5 Ų144.567%0.6778%0.78SS**  trans-51159.9-172.4-95.358.7000120.7
1414L32.3Very low33.3Very low172 Ų172141.7 Ų141.790%0.90177%0.774SS**  trans73.5148.7160.3-91.473.8000118.9
1415G31.7Very low33.3Very low70 Ų70138.5 Ų138.572%0.72277%0.768SS**  trans139.542.115700000122.6
1416T32.9Very low33.5Very low134 Ų134134.6 Ų134.682%0.82277%0.766SS**  trans32.9118.2150.853.50000123
1417S32.6Very low33.5Very low100 Ų100131.9 Ų131.970%0.69976%0.758SS**  trans76.4123.7131.967.70000124.6
1418N33.1Very low32.9Very low131 Ų131134.9 Ų134.970%0.70177%0.769SS**  trans77.9117.6135.5-68.8-18.1000123.7
1419Q34.5Very low33Very low171 Ų171133.6 Ų133.680%0.79976%0.76SS**  trans70.4147.7137.6-661715500117.8
1420S29Very low32.9Very low108 Ų108133 Ų13376%0.75575%0.754SS**  cis-168.5-177.8-5.544.90000110.5
1421A33.6Very low32.8Very low83 Ų83133.7 Ų133.769%0.68675%0.75SS**  trans82.4128.8-176.900000114.8
1422D30.8Very low32.7Very low147 Ų147136 Ų13679%0.78675%0.754SS**  cis82.2134.942.5-63.7-42.9000112.8
1423L32.4Very low32.5Very low134 Ų134131.5 Ų131.570%0.70275%0.751SS**  cis-162.6176.64.9-124.5169000111.6
1424N32Very low32.5Very low136 Ų136132.5 Ų132.573%0.72776%0.755SS**  trans81.2149.8171.1-42.4-59.9000116.4
1425T35.3Very low32.9Very low129 Ų129129.8 Ų129.879%0.79175%0.748SS**  cis-14315015.1-39.50000113.6
1426T34.9Very low32.7Very low125 Ų125133.7 Ų133.777%0.76775%0.752SS**  trans-38.9148.3168.61.40000115
1427T34.2Very low32.7Very low119 Ų119135.8 Ų135.873%0.7375%0.75SS**  cis-145-158.440.550.50000110.8
1428N32.5Very low32.7Very low149 Ų149138.9 Ų138.980%0.79776%0.758SS**  cis-161.8174.710-149-7.2000114.7
1429S34.8Very low32.6Very low101 Ų101139.6 Ų139.671%0.70677%0.767SS**  trans47.6105.2158.9-156.20000122.4
1430M31.2Very low32.3Very low141 Ų141135.5 Ų135.570%0.69576%0.762SS**  trans-36164.3148.7-55.1-165.1-68.200115.6
1431Y31.4Very low32.4Very low204 Ų204135 Ų13580%0.876%0.764SS**  cis-146170.341.1-134.6-90000116.4
1432Y32.3Very low32.2Very low214 Ų214138.3 Ų138.384%0.83977%0.77SS**  trans-82.1154-165.7-86.4-109.1000116.8
1433G30.4Very low32.1Very low65 Ų65136.3 Ų136.367%0.6777%0.767SS**  trans-162.4124.9155.100000112.8
1434I31.1Very low32.1Very low149 Ų149136.3 Ų136.376%0.76477%0.773SS**  trans65.6136.2165.8-54.1168.6000117.1
1435P40.9Very low32Very low115 Ų115138.1 Ų138.175%0.74778%0.782SS**  trans-135.488.4146.336.1-20.8000112.8F1437P1435-F1437 HydrophobicContact CB-CD2 4.29Å
1436D28Very low31.8Very low152 Ų152135.5 Ų135.581%0.81377%0.773SS**  trans-82123.4150.3-94.5-42.9000107.9
1437F32Very low31.6Very low179 Ų179134.4 Ų134.479%0.78577%0.771SS**  trans-148.2107.1178.9-98-80.2000111.5P1435P1435-F1437 HydrophobicContact CB-CD2 4.29Å
1438L31.8Very low31.5Very low164 Ų164136.3 Ų136.386%0.85978%0.777SS**  162.480.3117.9-84.8174.9000113.4
1439V30.9Very low31.5Very low147 Ų147134.4 Ų134.489%0.89178%0.781SS**  trans-149.8132.4157.9-179.10000107.2
1440A28.9Very low31.3Very low85 Ų85135 Ų13570%0.70279%0.786SS**  cis-164.4163.8-20.700000109.9
1441A30.4Very low31.5Very low96 Ų96133.2 Ų133.279%0.79379%0.787SS**  trans-151107.2154.600000107.3
1442L30.3Very low31.4Very low154 Ų154134.1 Ų134.181%0.80679%0.79SS**  78103.669.6-78.9171.5000114.8
1443S28.7Very low31.3Very low104 Ų104128.7 Ų128.773%0.72778%0.784SS**  trans64.4143.2147.5-60.90000118.7
1444T32Very low31.4Very low135 Ų135131.3 Ų131.383%0.82879%0.79SS**  cis-158.2-179.34.2-3.60000110.8
1445L30.5Very low31.3Very low174 Ų174131.9 Ų131.991%0.91179%0.793SS**  trans89.9141.2164.4-154.879.5000116.7
1446A31.8Very low30.9Very low74 Ų74131.3 Ų131.361%0.61279%0.79SS**  -172.3161.3-53.300000109.3
1447S30.8Very low31Very low102 Ų102133.1 Ų133.171%0.71379%0.793SS**  trans74.5112.1156.2-56.50000121.3
1448N32.1Very low31Very low159 Ų159129.5 Ų129.585%0.8579%0.787SS**  trans76.498.8131.2-57.9-10.9000122.3
1449A31.9Very low30.9Very low108 Ų108130.8 Ų130.889%0.89379%0.786SS**  -150.6152.6123.500000109.2
1450S31Very low30.6Very low115 Ų115133.7 Ų133.780%0.80479%0.787SS**  trans-143.4173-163.4610000115.3
1451S33.8Very low30.6Very low102 Ų102134.2 Ų134.271%0.71379%0.786SS**  trans84.3135.1-176.7-34.60000113.8
1452Y29.6Very low30.5Very low224 Ų224139.7 Ų139.788%0.87879%0.787SS**  cis-123.1169.515.7-96.1-99.4000114.7
1453S30Very low30.4Very low100 Ų100141.1 Ų141.170%0.69979%0.787SS**  trans-78.1169.7178.656.40000113
1454C32Very low30.4Very low119 Ų119141.9 Ų141.980%0.80478%0.783SS**  cis-138.2163.426.7-61.30000116.1
1455I30.2Very low30.3Very low162 Ų162143.6 Ų143.683%0.83178%0.782SS**  trans-110.1165.5175.9-81166.6000106.9
1456P32.1Very low30.2Very low103 Ų103143.2 Ų143.267%0.66978%0.781SS**  cis-130.6160.512.419.65.5000118.2
1457E29.2Very low30.2Very low189 Ų189144.7 Ų144.788%0.88379%0.787SS**  -91.7150.9126.4-92.4-161.2170.400109
1458P33.4Very low30.2Very low103 Ų103147.2 Ų147.267%0.66979%0.791SS**  trans-125.5110.2156.731.1-15.6000113.9
1459F29.9Very low30.2Very low191 Ų191148 Ų14884%0.83879%0.792SS**  trans64.9118.3142.8-72.8-90.1000121.9S1461F1459-S1461 PolarHBondContact O-N 3.15Å
1460K24.4Very low30.2Very low208 Ų208149.7 Ų149.790%0.90479%0.786SS**  trans-60.3124.8140.7-74.1179175.61770109.9
1461S28.5Very low30.2Very low96 Ų96151.7 Ų151.767%0.67179%0.788SS**  trans-153.3137.2151.9102.20000111F1459F1459-S1461 PolarHBondContact O-N 3.15Å
1462Y27.3Very low30.1Very low211 Ų211152.6 Ų152.683%0.82779%0.789SS**  trans54.2101.1165-69.1-84.4000121.4
1463F28.7Very low30.4Very low184 Ų184148.7 Ų148.781%0.80779%0.789SS**  40.4134.7111.5-96.2-84.6000122.4
1464N28.8Very low30.5Very low120 Ų120150.9 Ų150.964%0.64279%0.793SS**  trans65.8106.7147.4-90.7-9.1000121.2
1465Q29.4Very low30.8Very low171 Ų171150.6 Ų150.680%0.79979%0.789SS**  trans70.8125.7132.1-60.1-173.926.100119.3
1466N28.3Very low31Very low167 Ų167151.1 Ų151.189%0.89379%0.792SS**  trans-131.3105158-126.6-16.8000108.2
1467S31.8Very low30.9Very low105 Ų105152.9 Ų152.973%0.73480%0.796SS**  trans-167127.7165-78.70000106.3
1468L32.6Very low31.1Very low154 Ų154150.9 Ų150.981%0.80680%0.797SS**  cis-138.4154.88.4-141.875.1000110
1469M30.4Very low31.1Very low176 Ų176151.6 Ų151.687%0.86780%0.799SS**  trans-94.9131166.5-91.2162.351.100110
1470N32.1Very low31.2Very low144 Ų144150.5 Ų150.577%0.7780%0.796SS**  trans-172.698.3151.9-99.9-16.5000111
1471N31Very low31.7Very low156 Ų156148.8 Ų148.883%0.83480%0.796SS**  178.8142.1109.9-89-16.2000111.8
1472T32Very low32Very low122 Ų122151.2 Ų151.275%0.74880%0.802SS**  trans-84.3150-17835.50000113.2
1473T37Very low32.4Very low142 Ų142145.2 Ų145.287%0.87179%0.791SS**  -155.7149.9126.3-69.90000108
1474N30.8Very low32.6Very low145 Ų145144.5 Ų144.578%0.77580%0.796SS**  trans-88.1156.6-163.4-72.8-32.3000115.2
1475P38.8Very low32.9Very low113 Ų113142.2 Ų142.273%0.73480%0.8SS**  trans-95.7162174.238.5-35.1000113.4
1476I34.2Very low33Very low173 Ų173141.6 Ų141.689%0.88780%0.802SS**  trans-136.4140.1157.8-63.5-175.2000109.2
1477N29.4Very low33.4Very low141 Ų141138.5 Ų138.575%0.75479%0.794SS**  trans-78.4156.8179.4-58.6-51.6000112.7
1478T33.6Very low33.6Very low146 Ų146140.8 Ų140.890%0.89680%0.796SS**  -161.1163.9119.67.70000111.4
1479T33.7Very low33.6Very low119 Ų119138.2 Ų138.273%0.7379%0.791SS**  trans-125.5172.3-167.349.50000112.3
1480H33Very low34Very low167 Ų167139 Ų13977%0.77379%0.79SS**  trans62105.2160.1-79.2-80.2000118.6
1481L35Very low34.1Very low172 Ų172138.6 Ų138.690%0.90179%0.792SS**  -167.5-177.890-97.9168.1000110.9
1482N33.7Very low34.2Very low147 Ų147136.8 Ų136.879%0.78679%0.787SS**  trans-140.1162.4-153.6-160.413.3000114.6
1483S35.6Very low34.1Very low86 Ų86137.5 Ų137.560%0.60179%0.786SS**  trans85.4145.4158.8-53.50000120.8
1484N33.1Very low33.9Very low169 Ų169137.7 Ų137.790%0.90478%0.781SS**  trans73.6132.8170-52-17.1000116.7
1485G34.5Very low34Very low72 Ų72135.3 Ų135.374%0.74278%0.776SS**  cis176.3147.3-7.800000113.2
1486N32.4Very low33.6Very low157 Ų157135.1 Ų135.184%0.8478%0.777SS**  trans-14.7140.6177.8-60.7-13.8000120.1
1487S35.5Very low33.7Very low103 Ų103131.7 Ų131.772%0.7277%0.769SS**  173.6154.1111-77.60000114.6
1488I36.8Very low33.8Very low153 Ų153131.6 Ų131.679%0.78577%0.768SS**  trans60.4110.8157.5-62.2151.4000116.1
1489S33.8Very low34Very low99 Ų99132.1 Ų132.169%0.69276%0.762SS**  cis93.6150.333.289.70000115.8
1490K37.5Very low34.2Very low194 Ų194131.3 Ų131.384%0.84376%0.761SS**  trans80.7149-178.7-65.2-174.4179.3-177.50117.3
1491V34.7Very low34.9Very low134 Ų134129.2 Ų129.281%0.81276%0.763SS**  cis-158165.3-26.4116.90000108.3
1492T32.7Very low35Very low119 Ų119125.8 Ų125.873%0.7375%0.753SS**  trans-93.7168.3179.446.20000114.6
1493N30Very low34.9Very low137 Ų137125.9 Ų125.973%0.73375%0.753SS**  trans97.9149.4132.9-124.6-1000121.5
1494L33.2Very low34.9Very low145 Ų145127.3 Ų127.376%0.75976%0.764SS**  trans74.3150.5158.5-56.4161.3000118.9
1495S31.9Very low34.8Very low95 Ų95122.3 Ų122.366%0.66475%0.752SS**  cis-173.8152.1-27.4-107.60000115.1
1496S31.9Very low34.7Very low109 Ų109127.2 Ų127.276%0.76276%0.759SS**  trans79.3159.3138.473.20000124.7
1497S34.9Very low34.7Very low102 Ų102126.8 Ų126.871%0.71376%0.756SS**  trans80.4141.1171.1790000118
1498N31.9Very low34.5Very low138 Ų138129.1 Ų129.174%0.73876%0.761SS**  cis-162.1174.9-14.8-112.4-11.7000112.2
1499M37.2Very low34.3Very low158 Ų158124.9 Ų124.978%0.77875%0.754SS**  trans75.5114.4-178.5-47.8-67.7102.500114
1500S38.1Very low34.3Very low102 Ų102125.8 Ų125.871%0.71376%0.756SS**  cis86.7138.722.9-45.70000115.2
1501P47.5Very low34.3Very low123 Ų123123.1 Ų123.180%0.79975%0.749SS**  cis-115.1-153.2-7.332.2-9.4000111
1502S37.6Very low34.2Very low99 Ų99123 Ų12369%0.69274%0.744SS**  cis-153.7131.58.9-73.80000113.7
1503N32.9Very low34.3Very low149 Ų149122.2 Ų122.280%0.79774%0.736SS**  27.4114.3118.2-66.78.3000119.8
1504S33.9Very low34.4Very low117 Ų117125.1 Ų125.182%0.81874%0.736SS**  77.2139.684.776.30000115.4
1505G31.9Very low34.3Very low64 Ų64126.4 Ų126.466%0.6674%0.736SS**  cis162.8-178.80.900000110.2
1506I33.5Very low34.3Very low174 Ų174130 Ų13089%0.89274%0.74SS**  trans69.6153.3165.3-63.3168.1000117
1507L31.6Very low34.2Very low148 Ų148131.9 Ų131.978%0.77574%0.742SS**  cis-177.4118.7-41.4-146.6170.6000109.6
1508D30.9Very low34Very low153 Ų153131.2 Ų131.282%0.81874%0.737SS**  trans172.9151.7149-114.9-39.5000107.3
1509G32.4Very low34.1Very low63 Ų63132.6 Ų132.665%0.64974%0.739SS**  cis127.2136.438.100000106.1
1510T33.9Very low33.8Very low119 Ų119132.8 Ų132.873%0.7374%0.736SS**  cis-168.2174.819.748.40000112.3
1511I38.1Very low33.5Very low137 Ų137135.3 Ų135.370%0.70373%0.734SS**  trans71.6103.7146.5-74.5161.4000119
1512N33.2Very low32.8Very low132 Ų132136.2 Ų136.271%0.70673%0.728SS**  91.4156.591.4-73.4-18.9000115.6
1513N33.6Very low32.6Very low102 Ų102135.2 Ų135.255%0.54572%0.715SS.*  cis-159.3132.7-17.4-115.6-45000113
1514R32.8Very low32.6Very low198 Ų198131.3 Ų131.375%0.74769%0.689SS**  trans38.6127.6137.3-67.7-172.6-81.6176-3.8127.3
1515F31.7Very low32.6Very low172 Ų172127.8 Ų127.875%0.75467%0.671SS**  83118.9126.4-80.1-125.9000125.9
1516F31.8Very low32.8Very low172 Ų172129.2 Ų129.275%0.75467%0.667SS**  trans59.8122.7135.1-79.4-102.7000126.9
1517N28.2Very low32.8Very low148 Ų148127.6 Ų127.679%0.79166%0.66SS**  trans45148.8136.3-93.8-16.9000123.9
1518S31.4Very low32.8Very low88 Ų88127.5 Ų127.562%0.61566%0.66SS**  cis-166.8158.10.256.10000115.2
1519Q33.5Very low32.8Very low167 Ų167124.5 Ų124.578%0.7865%0.651SS**  trans77.9175.5166.9-50.7-68.28.100117.6
1520F31.1Very low32.7Very low162 Ų162128.3 Ų128.371%0.71166%0.656SS**  cis-161.312012-164.4-85.9000115.4
1521F32Very low32.5Very low154 Ų154128 Ų12868%0.67565%0.654SS**  trans53.9165.2164.9-73.1-113.2000118.9
1522Q32.9Very low32.1Very low143 Ų143129.1 Ų129.167%0.66866%0.656SS**  cis-159134.519.4-16790.940.300114.4
1523N34Very low32Very low78 Ų78128 Ų12842%0.41765%0.65SS.*  trans45120.2148.8-58.5-5.2000129.1W1311W1311-N1523 VanDerWaalsContact CE3-ND2 3.33Å; W1311-N1523 HydrophobicContact CZ3-CB 4.02Å; W1311-N1523 VanDerWaalsContact CZ3-ND2 3.25Å; W1311-N1523 WeakPolarHBondContact CZ3-ND2 3.13Å
1524Y32Very low32Very low67 Ų67130.4 Ų130.426%0.26366%0.656SS.*  trans84.6177.2131-55.5179.1000121.8W1311 N1312 L1313W1311-Y1524 HydrophobicContact CB-CE1 4.02Å; W1311-Y1524 AromaticContact CD2-CE1 3.79Å; W1311-Y1524 HydrophobicContact CD2-CE1 3.79Å; W1311-Y1524 AromaticContact CE3-CD1 3.76Å; W1311-Y1524 HydrophobicContact CE3-CD1 3.76Å; W1311-Y1524 AromaticContact CE3-CE1 3.1Å; W1311-Y1524 HydrophobicContact CE3-CE1 3.1Å; W1311-Y1524 AromaticContact CE3-CZ 3.71Å; W1311-Y1524 HydrophobicContact CG-CE1 4.21Å; W1311-Y1524 AromaticContact CZ3-CD1 3.87Å; W1311-Y1524 HydrophobicContact CZ3-CD1 3.87Å; W1311-Y1524 AromaticContact CZ3-CE1 3.7Å; W1311-Y1524 HydrophobicContact CZ3-CE1 3.7Å; W1311-Y1524 PolarHBondContact O-OH 3.09Å; N1312-Y1524 WeakPolarHBondContact CA-OH 3.18Å; N1312-Y1524 VanDerWaalsContact N-CE1 3.33Å; N1312-Y1524 PolarHBondContact N-OH 3.03Å; N1312-Y1524 PolarHBondContact OD1-OH 3.07Å; L1313-Y1524 HydrophobicContact CD1-CD2 4.22Å; L1313-Y1524 HydrophobicContact CD1-CE2 3.81Å
1525G34.4Very low32Very low42 Ų42128.2 Ų128.243%0.43365%0.654SS.*  cis-156.6170.95.900000117.4L1313 Q1314 L1315L1313-G1525 WeakPolarHBondContact O-CA 3.38Å; Q1314-G1525 CarbonylContact C-O 3.41Å; Q1314-G1525 VanDerWaalsContact C-O 3.29Å; Q1314-G1525 CarbonylContact O-C 2.79Å; Q1314-G1525 VanDerWaalsContact O-CA 3.3Å; Q1314-G1525 WeakPolarHBondContact O-CA 3.1Å; L1315-G1525 VanDerWaalsContact N-C 3.31Å; L1315-G1525 VanDerWaalsContact N-N 3.11Å; L1315-G1525 PolarHBondContact N-O 2.99Å; L1315-G1525 VanDerWaalsContact O-O 3.11Å
1526T36.2Very low32Very low95 Ų95124.3 Ų124.358%0.58365%0.648SS**  trans-88.1158.2-146.6700000123.4L1313 Q1314L1313-T1526 WeakPolarHBondContact O-CG2 3.48Å; Q1314-T1526 WeakPolarHBondContact O-CA 3.5Å; Q1314-T1526 PolarHBondContact O-N 2.86Å
1527N32.4Very low32.1Very low139 Ų139125 Ų12574%0.74365%0.652SS**  trans104.1141.2133.8-95.4-52.7000124.8
1528L33Very low32.4Very low147 Ų147123.8 Ų123.877%0.7765%0.645SS**  trans65.9107.6148.6-71.3163.2000125.3
1529S29.6Very low32.5Very low89 Ų89125.2 Ų125.262%0.62265%0.646SS**  trans28126.9132.161.50000121.5
1530N30Very low32.6Very low144 Ų144123 Ų12377%0.7764%0.639SS**  -178.5152.676.9-106.9-23.5000114.1
1531V29.7Very low32.8Very low113 Ų113121.2 Ų121.269%0.68564%0.637SS**  trans40124133.9-175.80000118.2
1532Q31.7Very low33.1Very low159 Ų159121.6 Ų121.674%0.74365%0.646SS**  -172.4168.755.1-145.5154.82000114.2
1533N30.9Very low33.1Very low110 Ų110118.3 Ų118.359%0.58865%0.651SS**  trans71.8153.9153.7-75.4-24.6000119.8
1534F32.2Very low33Very low151 Ų151118.8 Ų118.866%0.66267%0.674SS**  cis-155155.63.9-123.4-36.6000113.4
1535Q33.6Very low33Very low152 Ų152119.7 Ų119.771%0.7170%0.703SS**  trans68.6150.8149-75.4145.90.700119.2
1536S31Very low32.9Very low90 Ų90121.6 Ų121.663%0.62972%0.723SS**  cis-157.7179.43-131.60000114.1
1537F34.6Very low32.7Very low188 Ų188122.5 Ų122.583%0.82574%0.741SS**  trans78.5142.3169.7-55.1-72.7000118.8
1538N34.4Very low32.7Very low122 Ų122119.4 Ų119.465%0.65274%0.741SS**  cis-161.7153.5-32.8-144.67.5000112.7
1539N34.3Very low32.7Very low118 Ų118120.4 Ų120.463%0.63175%0.747SS**  trans56.8122.4151.6-73.1-6.8000124.2
1540N34.7Very low32.7Very low119 Ų119123.7 Ų123.764%0.63676%0.757SS**  88.2102.8125.9-63.9-3.5000123.9
1541N35.9Very low32.8Very low126 Ų126123.3 Ų123.367%0.67476%0.76SS**  75.9124.7114.4-58.5-9.2000123.4
1542N37.1Very low32.9Very low162 Ų162125.8 Ų125.887%0.86677%0.768SS**  trans67.9145.1144.7-55.7-10.8000119.6
1543G33.5Very low32.9Very low74 Ų74125.4 Ų125.476%0.76377%0.772SS**  cis156.9121.5-1100000114.5
1544G32.4Very low33.3Very low87 Ų87125.3 Ų125.390%0.89778%0.777SS**  trans77.3156170.900000116.1
1545G30.7Very low33.4Very low86 Ų86125.9 Ų125.989%0.88778%0.782SS**  cis133103.1-9.300000114
1546G32.8Very low33.3Very low83 Ų83128.6 Ų128.686%0.85679%0.786SS**  trans172138.4174.600000111.1
1547A32Very low33.3Very low114 Ų114130.6 Ų130.694%0.94279%0.789SS**  trans-150.8159.8-169.100000113.3
1548G32.1Very low33.1Very low73 Ų73128.5 Ų128.575%0.75379%0.786SS**  trans138.6103.2153.900000116.5
1549N33.6Very low33.5Very low169 Ų169127.7 Ų127.790%0.90479%0.787SS**  -155.9161.6112.5-130.3-40.4000112.5
1550L30.4Very low33Very low158 Ų158129.7 Ų129.783%0.82780%0.797SS**  trans-126.1122.7-169.5-79.9163.4000112.3
1551T30.7Very low32.7Very low136 Ų136133.2 Ų133.283%0.83481%0.807SS**  trans178.5139.415413.80000108.1
1552L32.5Very low32.5Very low164 Ų164136 Ų13686%0.85982%0.821SS**  cis-134.5157.8-2.8-80.5161.1000108.9
1553N31.6Very low32Very low151 Ų151132.9 Ų132.981%0.80781%0.812SS**  trans-158117.4165.8-164.6-1.9000113.1
1554P39.3Very low31.6Very low108 Ų108134.7 Ų134.770%0.70182%0.819SS**  trans-130.5153.5140.220-0.4000111.1
1555E34.4Very low31.5Very low163 Ų163133.9 Ų133.976%0.76281%0.811SS**  cis-145.6133.3-0.9-105.5178.5127.200107.2
1556R31.2Very low31.4Very low210 Ų210140.9 Ų140.979%0.79281%0.812SS**  66.9118.291.4-87.3-171.2162.2168.1-3.3118.1
1557L31.9Very low31.2Very low132 Ų132144.5 Ų144.569%0.69181%0.811SS**  trans84108.3136.2-60.8169.4000120.9
1558D30.5Very low31.2Very low144 Ų144147.3 Ų147.377%0.7781%0.806SS**  99.7152.6117.4-74.49000122.2
1559P41.1Very low31Very low104 Ų104152.4 Ų152.468%0.67581%0.811SS**  trans-120-168.2-15142.2-28.7000114.7
1560L25.5Very low30.9Very low161 Ų161155.1 Ų155.184%0.84381%0.81SS**  trans68.488.9166.3-60.8172.4000117.1
1561K27.1Very low31.1Very low192 Ų192153.6 Ų153.684%0.83581%0.807SS**  trans-173.8116.8133.4-106163.1-178.4-177.80112.6
1562L31.2Very low31.1Very low186 Ų186155.1 Ų155.197%0.97481%0.81SS**  trans-139103.4144.6-83.9-176.8000108.6
1563S27.2Very low31.4Very low96 Ų96152.6 Ų152.667%0.67180%0.804SS**  trans-132.5123.9174.157.40000108.5
1564A26.3Very low31.4Very low111 Ų111152.5 Ų152.592%0.91780%0.803SS**  trans50.8117165.200000118.1
1565G28.7Very low31.2Very low70 Ų70153.9 Ų153.972%0.72281%0.81SS**  trans-177.968.8170.700000114.6
1566Y29.9Very low31.3Very low234 Ų234151.2 Ų151.292%0.91881%0.805SS**  trans-164.291.3154.6-112.1-67.1000111.9
1567L29.1Very low31.4Very low159 Ų159148.9 Ų148.983%0.83280%0.803SS**SBendtrans-157.6147.9153.9-162.760.2000109.7
1568M30.6Very low31.4Very low172 Ų172148.8 Ų148.885%0.84780%0.802SS**  trans5797.4-179.6-62.7-52.6-177.400117
1569Q29.4Very low31.6Very low181 Ų181149.4 Ų149.485%0.84681%0.805SS**  trans-117.9101.6147-178.717529.700108
1570Y31.4Very low31.3Very low226 Ų226148.8 Ų148.889%0.88680%0.803SS**  trans-167.6116.1153.9-97-60.1000109.4
1571T33.3Very low31.7Very low125 Ų125146.1 Ų146.177%0.76780%0.798SS**  trans-143.1109.8172.848.90000109.1
1572N30.2Very low32.1Very low169 Ų169142.9 Ų142.990%0.90480%0.8SS**  trans-109.1113.3160.9-83-1.2000107.7
1573P38.6Very low32.3Very low111 Ų111140 Ų14072%0.72179%0.789SS**  trans-115.9129167.134.8-22.9000111
1574D32.5Very low32.6Very low148 Ų148141.4 Ų141.479%0.79180%0.799SS**  trans-157.2105159.4-130.1-25.9000113.1
1575T35Very low33Very low137 Ų137141 Ų14184%0.8479%0.789SS**  trans-153.166.816045.60000109.6
1576T35.7Very low33.2Very low108 Ų108142.6 Ų142.666%0.66379%0.79SS**  trans29.3123.413756.60000121.2
1577Q33.4Very low33.4Very low161 Ų161136.3 Ų136.375%0.75278%0.78SS**  64140.1128-55.8-59.617.500119.4
1578L32.9Very low33.7Very low129 Ų129135 Ų13568%0.67578%0.778SS**  cis-147.9163.10.4-98.9151.5000106.4
1579L34Very low33.9Very low158 Ų158132.6 Ų132.683%0.82777%0.773SS**  -148.9154.355.6-97.683.9000114.2
1580S34.7Very low34Very low90 Ų90129.9 Ų129.963%0.62977%0.774SS**  trans-43.2160.3159.549.40000117.3
1581S33.7Very low34.2Very low106 Ų106124.5 Ų124.574%0.74177%0.765SS**  cis179.5143.5-11.851.60000111.6
1582S35.8Very low34.3Very low124 Ų124129.8 Ų129.887%0.86777%0.773SS**  trans-170.7143.5144.245.30000110.1
1583V36.8Very low34.5Very low124 Ų124124.6 Ų124.675%0.75276%0.759SS**  trans-139.2142.6-164.9-171.90000111.9
1584S32.9Very low34.4Very low127 Ų127127 Ų12789%0.88877%0.766SS**  trans-162.175.6159.2-78.90000112.4
1585S34.1Very low34.5Very low101 Ų101124.5 Ų124.571%0.70676%0.76SS**  trans-160.5169.3164.4630000112.5
1586S34Very low35Very low104 Ų104126 Ų12673%0.72776%0.761SS**  trans65.795.2174.446.80000120.3
1587S34.3Very low34.6Very low103 Ų103127.9 Ų127.972%0.7277%0.766SS**  46.6102.2122.660.10000123
1588V34.7Very low35.2Very low130 Ų130129.3 Ų129.379%0.78879%0.789SS**  58113.7112.7179.70000120.4
1589T34.1Very low35.4Very low122 Ų122129.3 Ų129.375%0.74880%0.795SS**  trans56.8106.4156.458.50000121.1
1590S32.7Very low35.4Very low124 Ų124127.8 Ų127.887%0.86779%0.793SS**  -138.21589367.10000109.6
1591T34.8Very low35.5Very low114 Ų114129.9 Ų129.970%0.69980%0.802SS**  trans-136.6114.7-170-55.60000111.1
1592Y35.1Very low35.6Very low236 Ų236131.3 Ų131.393%0.92581%0.806SS**  trans161.4114.6147-94.9-66.5000108.1
1593G34.6Very low35.6Very low59 Ų59131.8 Ų131.861%0.60880%0.802SS**  cis179.1149.1-9.600000112.5
1594N35.9Very low35.5Very low163 Ų163132.3 Ų132.387%0.87281%0.806SS**  trans67.2145172.6-53.3-14.7000117
1595S36.2Very low35.7Very low94 Ų94132.6 Ų132.666%0.65780%0.8SS**  cis-167142.1-20.7-100.70000110.1
1596I45.3Very low35.8Very low169 Ų169135.1 Ų135.187%0.86781%0.807SS**  trans74.2120.2164.3-58.2160.5000116
1597L27.3Very low35.9Very low148 Ų148137.7 Ų137.778%0.77581%0.813SS**  trans-90.6168.3176.5-72.9155.3000110
1598P46.1Very low36.1Very low190 Ų190140.8 Ų140.8100%1.23482%0.822SS**  -85.1053.4-21.936.4000117.3

Retrieved 1,598 of 1,598 residues in 1115.7 ms (Link to these results)