A0A5K4FFG5_SCHMA Loading...

POU domain protein

AlphaFold DB , UniProt , Accession A0A5K4FFG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,660 aa.

>A0A5K4FFG5_SCHMA|A0A5K4FFG5
MNQLLMGTYQTNLNNTTKELLLSSQSPSSSSLTLPVSSSFTYRLIEQNDNEDNKFMHHAQLNFLNKIKPLTTIITTIPTVTNTDVTKSLPFTNILSDQSNMINNNNNNSNDQFDGTHDLNPLSLLESACSLACDYSPLFALTNSLHNFKPDNIITISSNSTVTITPPPPPPPPPTTTTTTNNNNNNTSLIHYPTKDLQILHRNNKRNTGLRYRTKSTFRNQASYINPIKNVTNLSVYDNHNHHHHDQQTITWSNDLNNHDEKLLKSDITTTSSSNTMNHITDISYSHNKTMENLTNSNIMTDNIQWLPNNNVCRRDYNSLCNNDQLTNFYRFSPSSNSGNYGLPNPEVLPLYNELRNCETNIEHSRFDTNLLIKWKTDEINKHESNCNHNEYYTEDSRHQVASTTQDYLKTNDNILSTKVYNQELIPCKQNNSHNNLLHCNSIDETCENKTKQSIVNLQENTFSEMISKQHGNYYDNIRTHTIQQRTMEEDIDQSNDVLYNSMNLSYFNHSDSFPNLTTDLSKIKTFVKPSDGLLHYSTSNDNNLTNFAIRSNSNLFTMNSINNVGPILDTTNSSVDTDQIRMISDEFSNNHNTFSRGSSVKTSLTGLSQPTSLTDPSVQMSGINFNDETSNSHLNKTDYFDSPINESYLPTYMNPIQQSVYWQQQQQQQECHHQKEHQSDQYNQQINLLTSTNSLNNISHSDSNKESLLHKHELKSSNMMFMNHVSELMNVYNSNSINNNSSIQPSSMDIVTSSIVNEKSNLHPYDEHHFNTLLHINPNLIESSSCLFDSLVYNQNSTDFINHNNNNVVCHMNSISESTPRLNDHISVDSSISTIPIISSPSSSSSSSLFNGMLQQLTLPSNSSLSSISSITHATSTTNVSSCKLLSSIGKYQPNISSDEFINMTESCSPSSSTCILSQVHGFNESLTTINGMDYFTNNNRIDETIHTTNHGNNNHSNNTMTNDTTTTNNNSHNNNSTIIPGTGDYPSADDLEIFAKMFKQRRIKLGYTQADVGLALGTLYGNVFSQTTICRFEALQLSFKNMCKLKPLLQKWLYEADCSTGTTNNLDKITTQGRKRKKRTSIEIGVKGILENHFIKQPKPLAQDIIQLADVLGLEKEVVRVWFCNRRQKQKRLNPLLLGSTFDSNEDSTCRSDNNDDSYDEDDDDDDEDDEEDEEGDEERHDQLQAKNNKSNLCNGNSNNDDEKYLDAIIKEKKTSADHEMNNDINYRKSEKILENEHSLFDNENNSDLCSNQSFRHHSIKRTKRRSNQSLTPIHFNCNYMNDQLLNDSVHNLYGTTSCSSLLLSSSQSSPPPPPPSTTTGVIPSSLLPSLHSTFHVSNSNQLFPSNYPTYCNNSSNSINGINHQSLLHNISLNDTSQHLLRTDYILQKYPYVITDNENMNDNKLMNESLNLPLRLFNTNSNTTTNNTNNNNVLYDTCGSFNDNHLINNNSMIDYLTIEQSINNNNDNNSFLLSNLNVNQNHIHLNSTIGIPSPFHNSNSTTTTTNSSIPDLLNYHHRLEDMSNLSTTTTTTTTPTTAPITSLNNLDLTEISTYRDENLIRNSLLNDVNLISNCIDDQITNTTNIDMNLNGYNTEQLTTTAPLPPPPPSPPTTTIPTVATMNTSLIPNIFMHSRNMNSISEYNSNINDNLFIYSQSNQ
Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.3Very low27.7Very low236 Ų236153.1 Ų153.1100%1.16380%0.802SS**  0115.50-77.3-177.1-171.100106.1
2N28.3Very low27.6Very low142 Ų142154.1 Ų154.176%0.75981%0.808SS**  cis51.2109.141.2-67.2-1.1000110.4
3Q29.9Very low27.7Very low162 Ų162155 Ų15576%0.75781%0.813SS**  cis-126.5158.819.6-81.2135.1100.100111
4L27.4Very low27.7Very low153 Ų153154.5 Ų154.580%0.80181%0.812SS**  cis68.515643.9-146.577.7000112.1
5L28.7Very low27.9Very low119 Ų119153.9 Ų153.962%0.62381%0.81SS**  trans74.895.2175.4-86.356.8000118.5
6M27.1Very low28Very low177 Ų177151.6 Ų151.687%0.87280%0.803SS**  trans80.9139.8130.7-48.7-43171.100121
7G29.6Very low28.1Very low66 Ų66150.6 Ų150.668%0.6881%0.805SS**  cis-178.2155.3-6.300000116.2
8T25.9Very low28.2Very low139 Ų139153 Ų15385%0.85381%0.807SS**  trans-79.9115.7169.747.40000110.3
9Y25.2Very low28.2Very low207 Ų207152.9 Ų152.981%0.81280%0.802SS**  trans-127.2119.1155.1-95.1-87.6000109.3
10Q27.8Very low28.1Very low162 Ų162151.8 Ų151.876%0.75780%0.796SS**  trans17.6140.3133.4-62.1167.4-36.200117.2
11T25.4Very low28.2Very low121 Ų121151 Ų15174%0.74279%0.792SS**  cis-146.2160.238.8490000113.6
12N26.6Very low28Very low165 Ų165147 Ų14788%0.88277%0.774SS**  -162.5129.1122.3-106.9-39.6000110
13L29.2Very low27.9Very low166 Ų166144.8 Ų144.887%0.86977%0.77SS**  trans-138.4128.3179.9-124.2164.6000107.4
14N28Very low27.7Very low148 Ų148141 Ų14179%0.79176%0.761SS**  trans-65.2139178.9-64.8-40.4000110.5
15N30Very low27.6Very low146 Ų146142.4 Ų142.478%0.78176%0.763SS**  trans-169.5143.4130.3-102.4-29.1000116
16T29.7Very low27.8Very low116 Ų116141.7 Ų141.771%0.71277%0.768SS**  trans46.194.915156.90000120.4
17T29.6Very low28.2Very low135 Ų135138.4 Ų138.483%0.82876%0.76SS**  -4.4120127.351.30000118.3
18K29.9Very low28.1Very low194 Ų194140.7 Ų140.784%0.84377%0.766SS**  trans-169.7144.3142.3-101.5-179178.2177.30106.7
19E27.5Very low28.2Very low151 Ų151138.8 Ų138.871%0.70676%0.759SS**  cis-167.5-178.6-19.1-147.4179.6163.500106.3
20L27.9Very low28.4Very low131 Ų131133.4 Ų133.469%0.68675%0.751SS**  trans67.7115.2156.2-68.6160.7000120.3
21L28.6Very low28.4Very low135 Ų135131.6 Ų131.671%0.70776%0.756SS**  trans77.3131.6144-55.1169.5000116.5
22L25.8Very low28.4Very low152 Ų152132.8 Ų132.880%0.79676%0.758SS**  58.4129.859.3-74.375.4000111.5
23S25.9Very low28.4Very low95 Ų95130.2 Ų130.266%0.66475%0.748SS**  cis-168.3-174.9-0.249.30000109.7
24S25.9Very low28.7Very low82 Ų82129.7 Ų129.757%0.57375%0.745SS**  trans57.8123139.360.70000121.3
25Q25.9Very low28.8Very low183 Ų183127.9 Ų127.986%0.85574%0.741SS**  trans80.1117.6132-66.41684.400120.5
26S31.7Very low28.7Very low104 Ų104127 Ų12773%0.72774%0.741SS**  trans-42.3162.2138.858.40000113.6
27P35.4Very low28.5Very low108 Ų108125.5 Ų125.570%0.70174%0.735SS**  cis-155.2-175.438.844.1-23.2000118.5
28S27.5Very low28.3Very low115 Ų115124.1 Ų124.180%0.80473%0.731SS**  trans73.6158155.8820000116.9
29S29.4Very low28Very low99 Ų99118.9 Ų118.969%0.69272%0.719SS**  cis-145.2155.312.254.90000114.6
30S28.2Very low27.9Very low94 Ų94119.8 Ų119.866%0.65772%0.721SS**  trans45.2104.7154.556.20000120.6
31S28.6Very low27.6Very low124 Ų124118.8 Ų118.887%0.86772%0.72SS**  -108.5139.8110.956.70000107.9
32L25.8Very low27.4Very low146 Ų146122.5 Ų122.576%0.76473%0.727SS**  trans-88.4130.9-178.6-105.499.7000111.1
33T26Very low27.3Very low111 Ų111126.3 Ų126.368%0.68173%0.73SS**  trans52.5115.2151.854.60000117.9
34L35.7Very low27.1Very low155 Ų155128.6 Ų128.681%0.81273%0.734SS**  55.4140.765.3-65.4174.3000112.1
35P31.1Very low27Very low109 Ų109131.4 Ų131.471%0.70874%0.742SS**  cis-150.7170.346.644.5-25.5000119
36V26.5Very low27.1Very low129 Ų129128.3 Ų128.378%0.78273%0.727SS**  trans64.1132.9136.8157.90000118
37S25.1Very low26.8Very low84 Ų84127 Ų12759%0.58771%0.709SS**  cis-172.5-176.7-12.355.10000108
38S25.5Very low26.6Very low106 Ų106126.3 Ų126.374%0.74170%0.7SS**  trans57.2149.9141.761.40000119.9
39S24.4Very low26.6Very low84 Ų84127 Ų12759%0.58769%0.694SS**  cis174.3-169.9-8.4177.50000104.2
40F24.8Very low26.5Very low170 Ų170129.6 Ų129.675%0.74670%0.701SS**  trans64.395160.8-61.1-65.1000116.2
41T22.5Very low26.6Very low110 Ų110134.3 Ų134.368%0.67571%0.712SS**  69132.882.363.60000116.2
42Y24.1Very low26.5Very low213 Ų213135.3 Ų135.384%0.83571%0.708SS**  trans39.497.6143.1-79.2-93000118.8
43R22.7Very low26.6Very low231 Ų231134.2 Ų134.287%0.87270%0.703SS**  -156.7129.1124.1-94.2144.4-155.1-91.33.2106.9
44L23.4Very low26.6Very low143 Ų143138.8 Ų138.875%0.74971%0.713SS**  65128.661.8-84.7169.4000113.6
45I23.9Very low26.1Very low142 Ų142139.4 Ų139.473%0.72871%0.71SS**  trans75.4133.4160.4-61.6157.4000115.4
46E26Very low25.8Very low117 Ų117141.7 Ų141.755%0.54771%0.713SS.*  cis-174.7175.2-24.8-143.2168.4-118.600108.7
47Q26.7Very low26Very low77 Ų77142.9 Ų142.936%0.3671%0.709SS.*  trans81.5114.1148.8-76.7163.257.300121.6S1269 N1270Q47-S1269 PolarHBondContact NE2-OG 3.39Å; Q47-N1270 HydrophobicContact CG-CB 3.61Å
48N31.7Very low26.1Very low93 Ų93143.6 Ų143.650%0.49770%0.703SS.*  trans78.478.1144.7-46.5-25000114.1N1270N48-N1270 PolarHBondContact ND2-ND2 3.01Å; N48-N1270 PolarHBondContact OD1-ND2 2.62Å
49D27Very low26.3Very low129 Ų129143.4 Ų143.469%0.6971%0.708SS**  cis73.813439.8-49.2-54.9000115
50N26.9Very low26.4Very low155 Ų155146.2 Ų146.283%0.82971%0.712SS**  trans68.3113.3175.6-53.7-22.4000116.1
51E30.8Very low26.4Very low192 Ų192145 Ų14590%0.89771%0.713SS**  cis-130.9149.15-65.4-172.3135.900112.9
52D26.5Very low26.8Very low146 Ų146146.7 Ų146.778%0.78172%0.717SS**  trans-80.9147.3170.4-79.6-56.8000112.7
53N26.8Very low26.8Very low123 Ų123144.4 Ų144.466%0.65871%0.712SS**  trans57.3119162.5-55.5-53.8000117.8
54K27.2Very low26.9Very low206 Ų206140 Ų14090%0.89671%0.705SS**  cis53.556.9-0.1-150.4-179.7-173.5177.50117.6
55F24.5Very low27.2Very low168 Ų168139 Ų13974%0.73770%0.701SS**  trans-124.998.4151.7-116.3-75.8000112.9
56M25.9Very low27.5Very low158 Ų158140.1 Ų140.178%0.77870%0.7SS**  trans-83.6126.6157.5-154.7-161.887.100107.6
57H29.8Very low27.6Very low153 Ų153142 Ų14271%0.70871%0.712SS**  trans31.393.7140.8-174.3-65.8000117.4
58H27.4Very low27.9Very low100 Ų100147.1 Ų147.146%0.46373%0.733SS.*  trans-167.4127.9147.6-113.3-57000114.5Q60H58-Q60 HydrophobicContact CB-CB 4.5Å; H58-Q60 HydrophobicContact CB-CG 3.83Å
59A30Very low27.9Very low101 Ų101148 Ų14884%0.83574%0.744SS**  -83.3114.5127.700000106.3
60Q25.4Very low28Very low144 Ų144149.2 Ų149.267%0.67375%0.75SS**  trans-82.7126.8-175.4-100.3152.8-2.100111.6H58H58-Q60 HydrophobicContact CB-CB 4.5Å; H58-Q60 HydrophobicContact CB-CG 3.83Å
61L26.3Very low28Very low145 Ų145147.6 Ų147.676%0.75975%0.746SS**  trans179.1150.8135.4-95.5158000109.8
62N29.9Very low27.7Very low144 Ų144144 Ų14477%0.7774%0.737SS**  trans52.782.2175.6-55.3-18000114.4
63F25Very low27.7Very low166 Ų166143.9 Ų143.973%0.72874%0.735SS**  cis59.3117.144-105-90.3000114.4
64L25Very low27.6Very low137 Ų137144.2 Ų144.272%0.71774%0.735SS**  trans59.299.5159.7-66.8163000119.7
65N29.5Very low27.5Very low124 Ų124140 Ų14066%0.66373%0.727SS**  -165.6118.699.9-92.1-54.9000110.4
66K29.2Very low27.6Very low164 Ų164137 Ų13771%0.71372%0.723SS**  70.4103107.5-66.7-179.4-169.5155.80114.3
67I28.9Very low28Very low158 Ų158132.3 Ų132.381%0.8170%0.7SS**  83.1113.978.5-74.2169000112.3
68K32.6Very low27.9Very low183 Ų183129.6 Ų129.680%0.79670%0.696SS**  trans1.6149.9144-78.9-176.7179.8-176.80118.5
69P31.4Very low27.8Very low112 Ų112130.3 Ų130.373%0.72771%0.707SS**  cis-141.2176.742.941.9-24.6000117.9
70L29.2Very low27.6Very low154 Ų154130.5 Ų130.581%0.80670%0.698SS**  trans-69.1130.7157.9-73.970.4000109.3
71T26.8Very low27.6Very low122 Ų122129 Ų12975%0.74870%0.699SS**  trans-152115142260000105.7
72T24.7Very low27.5Very low115 Ų115128.8 Ų128.871%0.70670%0.699SS**  85.814463.1-66.10000111.3
73I25.5Very low27.5Very low144 Ų144127.2 Ų127.274%0.73870%0.695SS**  trans76.1105.3-174.8-69.9147.8000112.4
74I25Very low27.5Very low130 Ų130126.2 Ų126.267%0.66770%0.697SS**  91.1109.851.8-70.5165000111.2
75T24.8Very low27.6Very low118 Ų118125.7 Ų125.772%0.72470%0.699SS**  trans62.6168.7163.8650000115.7
76T26.5Very low27.5Very low105 Ų105124.7 Ų124.764%0.64470%0.697SS**  cis-130.8148.46.8220000111.3
77I35.2Very low27.4Very low59 Ų59126 Ų12630%0.30370%0.703SS.*  trans-68.3147.4151.4-35.388.6000107.3Q1657 S1658I77-Q1657 HydrophobicContact CD1-CB 3.69Å; I77-Q1657 HydrophobicContact CD1-CG 4.31Å; I77-Q1657 HydrophobicContact CG1-CB 4Å; I77-Q1657 HydrophobicContact CG1-CG 4.07Å; I77-Q1657 HydrophobicContact CG2-CG 4.45Å; I77-S1658 WeakPolarHBondContact CD1-O 3.35Å; I77-S1658 WeakPolarHBondContact CG1-O 3.27Å
78P28.2Very low27.4Very low97 Ų97122.8 Ų122.863%0.6369%0.694SS**  -135.2140.7128.937.2-28.3000113.4
79T25.5Very low27.7Very low114 Ų114122.4 Ų122.470%0.69970%0.7SS**  trans60115.7142.155.40000118.1
80V24.7Very low28Very low105 Ų105121.5 Ų121.564%0.63669%0.694SS**  53.4101.250.2-170.30000112.6
81T25.6Very low27.8Very low113 Ų113123.1 Ų123.169%0.69370%0.695SS**  -171.1131.1121.333.90000109.3
82N25.4Very low27.7Very low141 Ų141122.4 Ų122.475%0.75469%0.691SS**  trans51.4134.7135.3-42.2-11.4000118
83T28.4Very low27.6Very low111 Ų111123.6 Ų123.668%0.68169%0.693SS**  cis-152.5146.234.345.30000111.7
84D25.6Very low27.6Very low145 Ų145123.5 Ų123.578%0.77569%0.692SS**  trans53.5144.7130.5-50.1-24.7000120.7
85V27.3Very low27.5Very low125 Ų125124.5 Ų124.576%0.75870%0.698SS**  cis-156.7165.8-0.3112.10000111.6
86T26.4Very low27.6Very low103 Ų103123.4 Ų123.463%0.63270%0.696SS**  trans-36.3151.2-178.2620000121.8
87K28.7Very low27.5Very low193 Ų193124.6 Ų124.684%0.83970%0.698SS**  45.3146.3126.1-60178.8-177.8-177.50120.3
88S28.7Very low27.1Very low89 Ų89129.4 Ų129.462%0.62272%0.719SS**  cis-176.8152.2-3.145.20000112.1P90S88-P90 WeakPolarHBondContact O-CD 3.33Å
89L38.7Very low27Very low175 Ų175128.9 Ų128.992%0.91672%0.718SS**  trans52-100.1160.6-75.982.5000119.8
90P38Very low27.2Very low94 Ų94130 Ų13061%0.6172%0.72SS**  trans-86.8169.7-140.6-10.930.7000114.9S88S88-P90 WeakPolarHBondContact O-CD 3.33Å
91F23.7Very low27.3Very low187 Ų187132 Ų13282%0.8272%0.724SS**  trans38.796.1164.5-70.5-82.5000115.8
92T24.4Very low27.5Very low108 Ų108132.3 Ų132.366%0.66372%0.72SS**  33.1121.990.870.30000115
93N24.3Very low27.6Very low139 Ų139131.2 Ų131.274%0.74371%0.714SS**  trans77116.9158.8-62.5-18.2000119.7
94I23.8Very low27.6Very low142 Ų142131.4 Ų131.473%0.72871%0.711SS**  75.9117.7125.6-63.6171.5000118.2
95L24.2Very low27.8Very low151 Ų151129.7 Ų129.779%0.79170%0.702SS**  trans32.8129.9147.7-78.677.1000121.4
96S25.6Very low27.9Very low96 Ų96129.5 Ų129.567%0.67170%0.697SS**  trans67.3126.2136.861.80000122.5
97D25.6Very low28.1Very low130 Ų130130.5 Ų130.570%0.69570%0.698SS**  trans79.1105.8135.4-69.1-46.6000123.7
98Q26.1Very low28.1Very low159 Ų159127.8 Ų127.874%0.74369%0.693SS**  76.892.1121.8-67.5178.459.700122.7
99S26Very low28.1Very low87 Ų87127.8 Ų127.861%0.60869%0.693SS**  70.7146.2112.679.50000123.2
100N29Very low27.6Very low137 Ų137125.6 Ų125.673%0.73368%0.682SS**  trans72.6144148.4-65.5-20.6000117.7
101M28.2Very low27.2Very low147 Ų147127.4 Ų127.472%0.72469%0.686SS**  cis-167169.1-1-125.4179.2155.700113.2
102I28.7Very low27.5Very low120 Ų120127.1 Ų127.162%0.61569%0.688SS**  trans79.2101.2141.1-78169.3000120.1
103N28.5Very low27.7Very low117 Ų117131.3 Ų131.363%0.62670%0.697SS**  82.8115.4114.4-68.48.2000123.9
104N29Very low27.9Very low115 Ų115132.1 Ų132.162%0.61570%0.702SS**  101.9113.5106.9-747.9000122.3
105N29.4Very low28.3Very low110 Ų110127.8 Ų127.859%0.58869%0.691SS**  95.6115.2115-69.4-0.5000121
106N28.8Very low28.5Very low121 Ų121126.3 Ų126.365%0.64769%0.689SS**  58135.4117.3-42-14.7000118.2
107N31.1Very low28.8Very low124 Ų124129 Ų12966%0.66369%0.69SS**  -166.6150.952.5-86.7-77.9000111.8
108N29Very low29Very low135 Ų135128.1 Ų128.172%0.72269%0.686SS**  50.3151.2129-53.1-3.4000122.4
109S27.3Very low29.1Very low89 Ų89127.7 Ų127.762%0.62269%0.688SS**  cis-176175.9-17.7-86.10000109.2
110N28.7Very low29.3Very low129 Ų129129.8 Ų129.869%0.6969%0.693SS**  trans85.4118.8151.4-72.821.1000120.3
111D30.2Very low29.1Very low132 Ų132128.8 Ų128.871%0.70669%0.693SS**  trans65.4142.4131-44.2-29.8000119.9
112Q30.2Very low29.1Very low182 Ų182129.8 Ų129.885%0.8570%0.701SS**  cis-153178.97-142.9168-3.900112.7
113F28.2Very low29.1Very low195 Ų195128.9 Ų128.986%0.85571%0.705SS**  trans-64.6172.5176.1-78-112.3000113
114D27.9Very low29.1Very low157 Ų157131.4 Ų131.484%0.8472%0.718SS**  cis-163.3173.728.9-155.7-8.6000112.3
115G32.1Very low29.1Very low50 Ų50132.7 Ų132.752%0.51572%0.724SS.*  trans124.278.7150.700000122.3
116T29.8Very low29Very low121 Ų121136.5 Ų136.574%0.74274%0.738SS**  trans53.9124.7135.8560000124.9
117H30.5Very low29Very low151 Ų151136.6 Ų136.670%0.69975%0.748SS**  trans61.4127.1147.1-63.3-68.9000118.3S828H117-S828 CarbonylContact C-O 3.6Å
118D29.5Very low28.8Very low112 Ų112134.7 Ų134.760%0.59975%0.75SS**  -162.6-168.955.8-141.6-26.8000115.9S828D118-S828 PolarHBondContact N-O 3.47Å
119L29.5Very low28.7Very low150 Ų150133.7 Ų133.779%0.78575%0.752SS**  trans-80.5130.4-162.3-80.2161.8000118.8
120N29.1Very low28.6Very low132 Ų132134.6 Ų134.671%0.70676%0.758SS**  66.6112.3127.2-155.118.1000119.9L122N120-L122 PolarHBondContact O-N 2.9Å
121P26.3Very low28.5Very low115 Ų115133.6 Ų133.675%0.74775%0.753SS**  trans-81.4117.2-174.932.4-34.6000113.8
122L28.3Very low28.4Very low169 Ų169129 Ų12989%0.88573%0.733SS**  trans-125.728.8170.5-121.6170.8000112.7N120N120-L122 PolarHBondContact O-N 2.9Å
123S27.5Very low28.3Very low100 Ų100126.3 Ų126.370%0.69973%0.733SS**  trans-137.843.4-171.665.30000113.5
124L28.4Very low28.3Very low171 Ų171123.7 Ų123.790%0.89573%0.727SS**SBendtrans-145.633.6169.4-148.880.6000113.9
125L29Very low28.5Very low142 Ų142125.9 Ų125.974%0.74373%0.726SS**SBendtrans-136.734.7174.7-15968.1000112.6
126E27.9Very low28.7Very low189 Ų189128.2 Ų128.288%0.88373%0.734SS**SBendtrans-114.88.6-175.3-155.8164.7-159.400113.7
127S28.1Very low28.9Very low124 Ų124125.7 Ų125.787%0.86772%0.72SS**SBendtrans-142.923.8-179.3-169.60000114.9
128A26.5Very low28.8Very low84 Ų84123.8 Ų123.869%0.69471%0.714SS**  trans-152.151.4-17800000113.7
129C27.2Very low28.9Very low113 Ų113124.5 Ų124.576%0.76471%0.712SS**  trans-143.848.2177.6-87.30000112.8
130S26Very low28.8Very low109 Ų109120.1 Ų120.176%0.76270%0.697SS**  trans-113.7140.7162.9-72.70000108.7
131L27.2Very low28.7Very low108 Ų108119.3 Ų119.357%0.56569%0.692SS**SBendtrans74.6140.5-176.2-51.7167000114.1D790 S791L131-D790 WeakPolarHBondContact CA-OD2 3.3Å; L131-D790 HydrophobicContact CB-CB 3.94Å; L131-D790 HydrophobicContact CD2-CB 4.45Å; L131-D790 WeakPolarHBondContact CD2-OD1 3.17Å; L131-S791 WeakPolarHBondContact CD1-OG 3.26Å
132A26.9Very low28.9Very low35 Ų35120.1 Ų120.129%0.28970%0.695SS.*  trans68.9104178.600000118F789 D790A132-F789 HydrophobicContact CB-CD1 3.71Å; A132-F789 HydrophobicContact CB-CE1 3.54Å; A132-F789 HydrophobicContact CB-CG 4.46Å; A132-F789 HydrophobicContact CB-CZ 4.16Å; A132-D790 HydrophobicContact CB-CB 3.98Å; A132-D790 VanDerWaalsContact N-CB 3.29Å; A132-D790 PolarHBondContact N-OD2 3.46Å
133C28.2Very low28.8Very low126 Ų126118.8 Ų118.885%0.85169%0.689SS**  177.6104125.8-104.60000110.9
134D29.5Very low28.7Very low139 Ų139119.1 Ų119.174%0.74369%0.691SS**  trans-127.7131.7178.3-133.9-9.6000109.3
135Y31.9Very low28.6Very low204 Ų204117.9 Ų117.980%0.869%0.685SS**  trans64.4125.3-175.5-63.1-96.5000115.3
136S35.1Very low28.6Very low98 Ų98118.3 Ų118.369%0.68568%0.683SS**  70.6160.570.3-55.60000113.3
137P34.8Very low28.5Very low69 Ų69115.5 Ų115.545%0.44867%0.673SS.*  cis-131.1-127.3-4746.3-32.8000114.1T1397 D1398 N1399P137-T1397 WeakPolarHBondContact CB-O 3.47Å; P137-D1398 HydrophobicContact CB-CB 3.69Å; P137-D1398 WeakPolarHBondContact CB-OD1 3.31Å; P137-N1399 PolarHBondContact O-N 2.69Å
138L28.3Very low28.5Very low110 Ų110118.9 Ų118.958%0.57667%0.673SS**  trans150.5-50.1169.7-65130.4000125.8T1397 N1399L138-T1397 WeakPolarHBondContact CD2-OG1 3.46Å; L138-T1397 WeakPolarHBondContact CG-OG1 3.1Å; L138-T1397 VanDerWaalsContact N-C 3.28Å; L138-T1397 PolarHBondContact N-O 2.69Å; L138-T1397 WeakPolarHBondContact O-CB 3.5Å; L138-T1397 PolarHBondContact O-OG1 2.77Å; L138-N1399 VanDerWaalsContact C-CB 3.47Å; L138-N1399 VanDerWaalsContact CA-CB 3.41Å; L138-N1399 HydrophobicContact CB-CB 4.3Å
139F30.6Very low28.6Very low128 Ų128122 Ų12256%0.56167%0.671SS**  trans-141135.3-177.6-138.4-103000115.9L141 T1397 D1398 N1399F139-L141 VanDerWaalsContact CE1-O 3.23Å; F139-L141 WeakPolarHBondContact CE1-O 3.32Å; F139-T1397 VanDerWaalsContact N-CB 3.29Å; F139-D1398 CarbonylContact C-O 3.17Å; F139-D1398 WeakPolarHBondContact CA-O 3.38Å; F139-D1398 VanDerWaalsContact N-CA 3.26Å; F139-D1398 PolarHBondContact N-O 3.35Å; F139-D1398 CarbonylContact O-C 3.57Å; F139-D1398 WeakPolarHBondContact O-CA 3.34Å; F139-D1398 PolarHBondContact O-N 2.95Å; F139-N1399 HydrophobicContact CB-CB 3.97Å; F139-N1399 WeakPolarHBondContact CB-OD1 3.26Å
140A27.5Very low28.7Very low57 Ų57122.1 Ų122.147%0.47167%0.67SS.*  trans-163.860.8174.600000113.6I1396 T1397A140-I1396 HydrophobicContact CB-CG2 3.93Å; A140-T1397 HydrophobicContact CB-CG2 4.44Å
141L27.7Very low28.6Very low115 Ų115121.8 Ų121.860%0.60266%0.66SS**  trans-159.8134.5175.2-100.8143.9000105F139F139-L141 VanDerWaalsContact CE1-O 3.23Å; F139-L141 WeakPolarHBondContact CE1-O 3.32Å
142T30.1Very low28.6Very low132 Ų132123.1 Ų123.181%0.8167%0.668SS**  -141.3148.174.538.70000114
143N26Very low28.6Very low142 Ų142128.8 Ų128.876%0.75969%0.692SS**  trans-92.3159.9163.7-98-65.8000110.5
144S25.8Very low28.4Very low106 Ų106128.7 Ų128.774%0.74168%0.681SS**  trans78131.6-178.8-35.90000113.1
145L26.7Very low28.2Very low145 Ų145128.1 Ų128.176%0.75968%0.683SS**  cis-138.8147.237.6-81.8158.8000115.4
146H29.6Very low27.9Very low152 Ų152125.1 Ų125.170%0.70468%0.679SS**  trans59.9119.9145.5-71.61.1000121.6
147N25.6Very low27.6Very low129 Ų129125.2 Ų125.269%0.6968%0.68SS**  23.6115.8105.7-48.7-19000114.9
148F26.9Very low27.4Very low195 Ų195126.5 Ų126.586%0.85569%0.69SS**  -168.5143.377.3-107.8-87.8000110.7
149K29.9Very low27.5Very low151 Ų151128.6 Ų128.666%0.65770%0.702SS**  trans-72.2148.2154.6-111.3-170.7166.8-155.40108.9D151K149-D151 WeakPolarHBondContact CD-OD2 3.41Å; K149-D151 VanDerWaalsContact CE-OD1 3.29Å; K149-D151 WeakPolarHBondContact CE-OD1 3.41Å; K149-D151 WeakPolarHBondContact CE-OD2 3.42Å; K149-D151 IonicContact NZ-OD1 3.37Å; K149-D151 PolarHBondContact NZ-OD1 3.48Å; K149-D151 IonicContact NZ-OD2 3.58Å; K149-D151 PolarHBondContact NZ-OD2 3.37Å
150P28.8Very low27.6Very low115 Ų115128.6 Ų128.675%0.74772%0.718SS**  -132.6147.1105.436.6-29.1000113.8
151D24.4Very low27.8Very low101 Ų101131.7 Ų131.754%0.5473%0.732SS.*  trans-83.1154.1161.2-52.7-78.7000109.9K149K149-D151 WeakPolarHBondContact CD-OD2 3.41Å; K149-D151 VanDerWaalsContact CE-OD1 3.29Å; K149-D151 WeakPolarHBondContact CE-OD1 3.41Å; K149-D151 WeakPolarHBondContact CE-OD2 3.42Å; K149-D151 IonicContact NZ-OD1 3.37Å; K149-D151 PolarHBondContact NZ-OD1 3.48Å; K149-D151 IonicContact NZ-OD2 3.58Å; K149-D151 PolarHBondContact NZ-OD2 3.37Å
152N26.4Very low27.8Very low137 Ų137133 Ų13373%0.73374%0.744SS**  trans71.9146.5-178.3-41.1-65.2000112.7
153I26.3Very low27.8Very low154 Ų154131.4 Ų131.479%0.7973%0.734SS**  cis-143.3124.741.5-71.1162.1000113
154I23.9Very low27.9Very low124 Ų124132.5 Ų132.564%0.63674%0.738SS**  trans12.6113.1136.9-50.7157.5000119.5I156I154-I156 HydrophobicContact CG2-CD1 3.75Å; I154-I156 HydrophobicContact CG2-CG1 4.17Å
155T26.7Very low28.3Very low127 Ų127132.1 Ų132.178%0.77973%0.732SS**  -164112.8126.419.70000107.9
156I25.3Very low28.9Very low141 Ų141130.5 Ų130.572%0.72373%0.73SS**  57.3111.777-57.7167.3000109.6I154I154-I156 HydrophobicContact CG2-CD1 3.75Å; I154-I156 HydrophobicContact CG2-CG1 4.17Å
157S28.5Very low29.5Very low99 Ų99127.8 Ų127.869%0.69273%0.725SS**  cis-162.8150.445.246.50000115.3
158S31.4Very low30.3Very low96 Ų96126.7 Ų126.767%0.67173%0.725SS**  trans49.2150.5141.163.60000123.1
159N29Very low31.4Very low154 Ų154120.8 Ų120.882%0.82471%0.707SS**  cis-174.4132.4-21.2-102.5-9.2000107.4
160S32.6Very low32.3Very low129 Ų129115.5 Ų115.590%0.90269%0.688SS**  trans-178.9116147-84.70000110.1
161T31.4Very low33.4Very low122 Ų122115.6 Ų115.675%0.74869%0.688SS**  trans-113.2129.8-175.942.30000112.1
162V29.2Very low34.7Very low142 Ų142116.2 Ų116.286%0.86170%0.698SS**  trans-122.290.9150.7179.70000106.9
163T28.6Very low35.5Very low99 Ų99115.2 Ų115.261%0.60770%0.699SS**  trans-93.1101.9-175.3-30.30000109.2T165T163-T165 HydrophobicContact CG2-CG2 3.74Å; T163-T165 PolarHBondContact O-N 3.1Å
164I29.6Very low36Very low164 Ų164113.8 Ų113.884%0.84170%0.7SS**  trans-75.279.7166-56.3179.8000107.7
165T33.2Very low36.5Very low99 Ų99114.7 Ų114.761%0.60771%0.711SS**PPolyproline II helixtrans-74.1134170.445.40000109.8T163T163-T165 HydrophobicContact CG2-CG2 3.74Å; T163-T165 PolarHBondContact O-N 3.1Å
166P40.4Very low36.9Very low111 Ų111114.3 Ų114.372%0.72171%0.709SS**PPolyproline II helixtrans-59.5145.9167.527.6-34.2000109.8
167P40.9Very low37.1Very low94 Ų94113.2 Ų113.261%0.6171%0.709SS**PPolyproline II helixtrans-64.7143.7-17025.4-34.6000112.1
168P43.3Very low37.2Very low106 Ų106114 Ų11469%0.68871%0.71SS**PPolyproline II helixtrans-65.7150.8178.828.2-35000111.6
169P48.8Very low37.2Very low71 Ų71115 Ų11546%0.46171%0.712SS.*PPolyproline II helixtrans-58.2133.1163.1-18.531.9000110N311 V312P169-N311 HydrophobicContact CB-CB 3.87Å; P169-N311 HydrophobicContact CG-CB 4.04Å; P169-V312 HydrophobicContact CG-CB 3.88Å; P169-V312 HydrophobicContact CG-CG1 3.86Å; P169-V312 HydrophobicContact CG-CG2 4.33Å
170P49.6Very low37.2Very low40 Ų40113.1 Ų113.126%0.2671%0.706SS.*PPolyproline II helixtrans-75.9152.6-178.628.8-31.1000111.6N309 N310P170-N309 HydrophobicContact CG-CB 3.75Å; P170-N309 VanDerWaalsContact CG-ND2 3.33Å; P170-N309 WeakPolarHBondContact CG-ND2 3.23Å; P170-N309 WeakPolarHBondContact CG-OD1 3.38Å; P170-N310 VanDerWaalsContact CD-CB 3.47Å; P170-N310 HydrophobicContact CG-CB 3.67Å
171P52.1Low37.2Very low117 Ų117113.2 Ų113.276%0.7670%0.696SS**PPolyproline II helixtrans-74.5144.1-176.230.5-35.2000112.4
172P51.8Low37.2Very low115 Ų115113.4 Ų113.475%0.74769%0.693SS**PPolyproline II helixtrans-69.6158.316531-34.4000111.3
173P43.3Very low37.4Very low116 Ų116112.7 Ų112.775%0.75368%0.684SS**PPolyproline II helixtrans-65.5153.7-178.4-21.134000113.7T175P173-T175 PolarHBondContact O-N 3.35Å
174P36.1Very low37.6Very low124 Ų124113.8 Ų113.881%0.80569%0.687SS**  trans-86.1110.7-177.732.9-33.1000112.7
175T35.6Very low37.7Very low142 Ų142111.8 Ų111.887%0.87168%0.678SS**  trans-99.6139157.345.20000110.3P173P173-T175 PolarHBondContact O-N 3.35Å
176T33.4Very low37.4Very low120 Ų120111.3 Ų111.374%0.73667%0.671SS**  trans-91.4122.3-159.945.60000114.5
177T30.5Very low36.9Very low118 Ų118109.9 Ų109.972%0.72466%0.66SS**  trans71.4151.1137.955.30000121.6
178T30.8Very low36.3Very low116 Ų116107.9 Ų107.971%0.71265%0.649SS**  trans70.396.4153.4420000119.9
179T30.3Very low35.6Very low117 Ų117108.8 Ų108.872%0.71865%0.647SS**  38.5133.6108.360.30000118.5
180T30.9Very low34.5Very low114 Ų114110.6 Ų110.670%0.69965%0.652SS**  cis-166.7156.124.6-7.50000113.2
181N30.6Very low33.6Very low130 Ų130117.2 Ų117.270%0.69568%0.679SS**  trans54.8117.4146-73.21.1000121.4
182N32.3Very low32.4Very low126 Ų126121.1 Ų121.167%0.67468%0.68SS**  88.2112.7122.3-68.75.8000120.8
183N32.6Very low31.6Very low127 Ų127120.5 Ų120.568%0.67968%0.676SS**  107.6103.9124.7-69.72.1000119.1
184N32.8Very low30.9Very low123 Ų123120.7 Ų120.766%0.65868%0.675SS**  88.4108.2128.8-59.1-8.4000119.3
185N31.7Very low30.8Very low122 Ų122123.2 Ų123.265%0.65267%0.674SS**  trans73.8144.1135.5-54.4-12.2000117.5N1156N185-N1156 CarbonylContact C-O 2.99Å
186N28.4Very low30.7Very low88 Ų88122.3 Ų122.347%0.47166%0.663SS.*  cis-174.769.7-10.2-102.5-17.3000113.5D1155 N1156N186-D1155 CarbonylContact C-O 3.55Å; N186-D1155 VanDerWaalsContact CB-O 3.23Å; N186-D1155 WeakPolarHBondContact CB-O 3.37Å; N186-D1155 CarbonylContact O-C 3.46Å; N186-N1156 VanDerWaalsContact C-C 3.42Å; N186-N1156 CarbonylContact C-O 3.53Å; N186-N1156 WeakPolarHBondContact CA-O 3.09Å; N186-N1156 PolarHBondContact N-O 3.19Å; N186-N1156 PolarHBondContact O-N 3.4Å
187T29.3Very low30.6Very low81 Ų81123.2 Ų123.250%0.49766%0.663SS.*  trans72147.1159.182.80000119.6N1156 N1157T187-N1156 PolarHBondContact N-O 2.76Å; T187-N1156 VanDerWaalsContact N-O 3.11Å; T187-N1156 CarbonylContact O-C 3.58Å; T187-N1156 WeakPolarHBondContact O-CA 3.13Å; T187-N1156 PolarHBondContact O-N 2.76Å; T187-N1157 PolarHBondContact N-O 2.83Å; T187-N1157 PolarHBondContact O-N 3.2Å
188S28.2Very low30.6Very low53 Ų53125.2 Ų125.237%0.37166%0.664SS.*  157.9160.5103.464.90000116.1
189L28.4Very low30.6Very low125 Ų125126 Ų12665%0.65466%0.663SS**  trans69.9120.6-178.5-7765.6000113.8
190I27.1Very low30.6Very low108 Ų108127 Ų12755%0.55466%0.663SS**  cis78.4105.543.6-58.6-177.9000114.1R1153I190-R1153 VanDerWaalsContact CD1-NH1 3.34Å
191H29.8Very low30.6Very low180 Ų180128.2 Ų128.283%0.83366%0.66SS**  -152.7155.1117.3-129.8-88.4000114.4
192Y26.5Very low30.8Very low198 Ų198133 Ų13378%0.77667%0.669SS**  trans-105176.8170.5-76.9-96.8000108
193P34.6Very low30.9Very low102 Ų102132.6 Ų132.666%0.66267%0.667SS**  cis-160.8177.831.542-17.3000122.6
194T30Very low31Very low121 Ų121133 Ų13374%0.74267%0.668SS**  trans75.9153.8140.842.60000124.6
195K33.2Very low30.9Very low177 Ų177136.7 Ų136.777%0.7768%0.679SS**  trans81.4146.9167.5-55.3-162.3174.5-171.80116.9
196D32.6Very low31Very low122 Ų122142 Ų14265%0.65269%0.689SS**  cis-147.7166.4-28.1-109.2-34.6000112.2
197L32.4Very low31Very low139 Ų139145.8 Ų145.873%0.72871%0.71SS**  trans-30.2156156.7-61.9155.2000114.7
198Q30.2Very low31.1Very low160 Ų160148.2 Ų148.275%0.74873%0.725SS**  cis-169.9-164.524.1-139.9173.5129.700114.6
199I30.4Very low31.2Very low134 Ų134149.3 Ų149.369%0.68774%0.744SS**  trans93.1100.8146.7-78.3154.8000120.7
200L29.8Very low31.3Very low137 Ų137151.1 Ų151.172%0.71775%0.754SS**  62150.5125.6-57.6-173.4000123.1
201H32.1Very low31.3Very low139 Ų139157.6 Ų157.664%0.64477%0.771SS**  cis-170.9-178.3-34.4-130.2-160.4000112.6
202R34.6Very low31.2Very low231 Ų231158.8 Ų158.887%0.87277%0.77SS**  trans94128.1162.9-59.5-178169.2151.3-2.1118
203N33.9Very low31.3Very low118 Ų118160.5 Ų160.563%0.63178%0.775SS**  cis-161.8105.1-35.4-110.3-10.7000108.1
204N35.9Very low30.8Very low134 Ų134161 Ų16172%0.71778%0.776SS**  65.2100.186.9-89.6-36.4000117.8
205K30.2Very low30.6Very low202 Ų202162 Ų16288%0.87877%0.77SS**  -170.8101.3112.2-103.9172.3-178.6173.80112.6
206R32.9Very low30.3Very low232 Ų232158.3 Ų158.388%0.87577%0.767SS**  trans-140.397.9160.2-81.1-173176155.80.1109.5T208R206-T208 PolarHBondContact O-N 2.56Å
207N28.3Very low30Very low169 Ų169156 Ų15690%0.90476%0.758SS**  trans-78.881.9-177.6-95.43.6000112.5
208T32.3Very low29.7Very low132 Ų132156.5 Ų156.581%0.8175%0.754SS**  trans-125.554.7166.252.40000110.9R206 L210R206-T208 PolarHBondContact O-N 2.56Å; T208-L210 PolarHBondContact O-N 3.49Å
209G28.9Very low29.5Very low75 Ų75158.6 Ų158.677%0.77376%0.755SS**  trans-83.9100.7-178.600000113.6R211G209-R211 PolarHBondContact O-N 3.18Å
210L31.8Very low29.2Very low163 Ų163155.1 Ų155.185%0.85374%0.738SS**  trans-74.597.1165.7-83.8161000110.2T208 Y212T208-L210 PolarHBondContact O-N 3.49Å; L210-Y212 PolarHBondContact O-N 3.24Å
211R27.2Very low29.1Very low244 Ų244155.7 Ų155.792%0.92174%0.737SS**  trans-82.1109.9160.9-77.7-167.1179.6-173.91109.8G209G209-R211 PolarHBondContact O-N 3.18Å
212Y28Very low28.8Very low205 Ų205151 Ų15180%0.80472%0.722SS**  trans-61139.5154.5-84.5-103.4000108.8L210L210-Y212 PolarHBondContact O-N 3.24Å
213R27.6Very low28.3Very low234 Ų234143.1 Ų143.188%0.88370%0.702SS**  trans-129.588.5162.8-166.1178.2-171.1-178.63.6108.4
214T25.2Very low27.9Very low113 Ų113148 Ų14869%0.69371%0.714SS**  trans-74.3143.2169.534.90000110.4
215K25.4Very low27.4Very low141 Ų141148.4 Ų148.461%0.61371%0.714SS**  trans27108.2157.4-51.3-165.6-174.9-154.90119D1149K215-D1149 WeakPolarHBondContact CD-OD2 3.44Å; K215-D1149 WeakPolarHBondContact CE-OD2 3.29Å; K215-D1149 IonicContact NZ-OD1 2.62Å; K215-D1149 PolarHBondContact NZ-OD1 2.75Å; K215-D1149 IonicContact NZ-OD2 3.1Å; K215-D1149 PolarHBondContact NZ-OD2 2.96Å
216S25.5Very low27.3Very low101 Ų101145.1 Ų145.171%0.70671%0.706SS**  trans-156108.4133.462.90000109.9
217T26.6Very low27Very low74 Ų74138 Ų13845%0.45469%0.69SS.*  trans-79167.7171.6-46.10000109.9
218F26Very low27Very low148 Ų148137.8 Ų137.865%0.64969%0.687SS**  trans69.9145.1-178.1-50.6-80000113.6
219R26.4Very low26.8Very low205 Ų205139.9 Ų139.977%0.77469%0.685SS**  cis-139.1161.9-5.2-119.6168.4-172.6157.91.8105.5
220N25.2Very low26.8Very low61 Ų61143 Ų14333%0.32668%0.684SS.*  cis-119.4135.833.2-70.1-61.2000115.8E460N220-E460 WeakPolarHBondContact CB-OE2 3.21Å; N220-E460 PolarHBondContact ND2-OE1 3.3Å; N220-E460 PolarHBondContact ND2-OE2 2.86Å
221Q26.1Very low26.6Very low149 Ų149142.2 Ų142.270%0.69669%0.686SS**  trans-102.395.2145.2-77.8-177.4-17.800106.6
222A25.8Very low26.7Very low39 Ų39136.2 Ų136.232%0.32268%0.676SS.*  trans-148.5126.8167.900000106.2
223S25.7Very low26.6Very low66 Ų66134.2 Ų134.246%0.46268%0.679SS.*  cis-139.9122.60.2-54.40000111.2
224Y25.7Very low26.7Very low222 Ų222130.7 Ų130.787%0.87168%0.677SS**  trans-121.168.6147.1-113.8-71.5000109.2N226Y224-N226 VanDerWaalsContact C-N 3.27Å; Y224-N226 HydrophobicContact CD1-CB 4.39Å; Y224-N226 PolarHBondContact O-N 3.11Å
225I25.5Very low26.8Very low142 Ų142130 Ų13073%0.72868%0.677SS**  trans-6796.6155.9-60.6172.6000105.6P227I225-P227 HydrophobicContact CG2-CB 4.22Å; I225-P227 HydrophobicContact CG2-CG 4.41Å
226N26.5Very low27Very low133 Ų133129.7 Ų129.771%0.71169%0.686SS**  trans-109.898.7160.7-142-17.9000107Y224 I228Y224-N226 VanDerWaalsContact C-N 3.27Å; Y224-N226 HydrophobicContact CD1-CB 4.39Å; Y224-N226 PolarHBondContact O-N 3.11Å; N226-I228 PolarHBondContact O-N 2.67Å
227P27.3Very low27Very low82 Ų82134.8 Ų134.853%0.53269%0.692SS.*  trans-87.4108.5-158.432.3-33.4000111.8I225 K229I225-P227 HydrophobicContact CG2-CB 4.22Å; I225-P227 HydrophobicContact CG2-CG 4.41Å; P227-K229 PolarHBondContact O-N 2.7Å
228I28.8Very low26.9Very low164 Ų164136.7 Ų136.784%0.84170%0.699SS**  trans-72.391151.3-60.8-177.4000106.6N226 N230N226-I228 PolarHBondContact O-N 2.67Å; I228-N230 PolarHBondContact O-N 2.71Å
229K28.6Very low26.9Very low177 Ų177135.6 Ų135.677%0.7770%0.7SS**  trans-59.2127.7168.4-74.5-177.3175.2179.10108.5P227 V231P227-K229 PolarHBondContact O-N 2.7Å; K229-V231 PolarHBondContact O-N 3Å
230N27.5Very low26.8Very low140 Ų140133.4 Ų133.475%0.74970%0.698SS**  trans-56.7126167.3-84.1-18.4000109.8I228 T232I228-N230 PolarHBondContact O-N 2.71Å; N230-T232 VanDerWaalsContact C-N 3.35Å; N230-T232 PolarHBondContact O-N 2.69Å; N230-T232 VanDerWaalsContact O-N 3.13Å
231V27.3Very low26.7Very low147 Ų147135.7 Ų135.789%0.89171%0.711SS**  trans-79.489.8165.41790000107.7K229K229-V231 PolarHBondContact O-N 3Å
232T30Very low26.6Very low118 Ų118136.2 Ų136.272%0.72471%0.712SS**  trans-13293.1164500000108.6N230N230-T232 VanDerWaalsContact C-N 3.35Å; N230-T232 PolarHBondContact O-N 2.69Å; N230-T232 VanDerWaalsContact O-N 3.13Å
233N26.4Very low26.6Very low163 Ų163141.1 Ų141.187%0.87273%0.728SS**  trans-144.375.7162.5-129.1-12.2000109.2
234L28.9Very low26.6Very low160 Ų160144 Ų14484%0.83873%0.734SS**  trans-116.1139.4156-13375.3000106
235S26.8Very low26.7Very low99 Ų99140.3 Ų140.369%0.69273%0.725SS**  trans8.2139.9158.157.10000118.5
236V30Very low26.8Very low133 Ų133138.6 Ų138.681%0.80672%0.717SS**  -144.1142.755.3171.30000112.1
237Y25.2Very low26.9Very low208 Ų208139.2 Ų139.282%0.81672%0.716SS**  trans-103.8150.5160-130-82.7000109.1
238D25Very low26.9Very low114 Ų114142.6 Ų142.661%0.6172%0.724SS**  trans63.8105.8164.7-82.6-43.1000120.2
239N25.4Very low26.8Very low125 Ų125140.1 Ų140.167%0.66872%0.717SS**  65.6155.2106.9-98-59.8000121
240H25.2Very low26.8Very low160 Ų160138.3 Ų138.374%0.74171%0.714SS**  trans67.7154.4162-70.516.9000114.4
241N23.1Very low26.7Very low109 Ų109136.5 Ų136.558%0.58371%0.708SS**  cis-159.7164.3-27.6-132-56.8000106.2
242H24.9Very low26.6Very low159 Ų159140.9 Ų140.974%0.73671%0.709SS**  trans63.6175155.8-78.342.9000115.2
243H24.7Very low26.4Very low142 Ų142138.9 Ų138.966%0.65770%0.7SS**  cis-175.6146.1-36.6-173.839.9000105.9
244H26.6Very low26.5Very low127 Ų127138.6 Ų138.659%0.58870%0.698SS**  trans66.6136.9164.4-84.5-63.5000121.5
245H26.9Very low26.4Very low144 Ų144137.5 Ų137.567%0.66769%0.693SS**  trans67.8142.8137.5-69.1-46.7000119.5
246D27.1Very low26.6Very low106 Ų106139.9 Ų139.957%0.56770%0.698SS**  cis-159.5162.2-2.7-135.15000113.3
247Q29.3Very low26.4Very low146 Ų146140.2 Ų140.268%0.68270%0.695SS**  trans62.1136.6156.6-63.1160.954.500116.5
248Q28.4Very low26.5Very low153 Ų153136.1 Ų136.172%0.71569%0.687SS**  cis-155.3152.718.9-133.4163.276.900109.8
249T26.1Very low26.5Very low112 Ų112137.4 Ų137.469%0.68769%0.689SS**  trans22.6131.9150.552.90000120
250I27.5Very low26.5Very low139 Ų139136.4 Ų136.471%0.71368%0.684SS**  cis-163.711717.7-111.1158000105.9
251T25.8Very low26.6Very low102 Ų102134.7 Ų134.763%0.62668%0.676SS**  53.7129.195.466.40000115
252W25.2Very low26.9Very low240 Ų240136.3 Ų136.391%0.90968%0.678SS**  cis-162.7168.38.1-103.8-2.5000111.9
253S27.1Very low27Very low76 Ų76135 Ų13553%0.53168%0.676SS.*  trans38.7128.3151.1-59.40000123.2
254N27.2Very low27Very low156 Ų156133.8 Ų133.883%0.83467%0.674SS**  -163.2144.497.8-78.8-22.1000108
255D27.8Very low26.9Very low137 Ų137134.8 Ų134.873%0.73368%0.676SS**  cis90.9151.622.2-81.6-52.9000118.2
256L29.4Very low26.8Very low149 Ų149132.4 Ų132.478%0.7868%0.675SS**SBendtrans-59.9163.2178.3-76.6154.4000113.4
257N26.5Very low26.7Very low141 Ų141133.9 Ų133.975%0.75468%0.683SS**  trans72.3154177.5-47.6-47.4000112.4
258N26.8Very low26.6Very low121 Ų121133.5 Ų133.565%0.64769%0.685SS**  cis-147-168.80.7-137.72.6000109.5
259H25.4Very low26.3Very low142 Ų142131.4 Ų131.466%0.65768%0.683SS**  17.3129.894.5-64.6-70.8000113.9
260D25Very low26.2Very low103 Ų103132 Ų13255%0.55169%0.686SS**  cis-164.4-174.313.8-122.6-6.9000111
261E28.3Very low26.3Very low124 Ų124132.6 Ų132.658%0.57970%0.697SS**  21.414396.5-31.7174140.200114.8
262K29.5Very low26.2Very low143 Ų143132.9 Ų132.962%0.62270%0.703SS**  cis-179.2-150.624-144167.7-139.3156.60107.5
263L26.1Very low26.3Very low133 Ų133127.2 Ų127.270%0.69670%0.699SS**  trans33.7113.1133-62.6167.7000115.9
264L25.5Very low26.3Very low116 Ų116128.7 Ų128.761%0.60771%0.71SS**  cis-174.9162.724.5-106.5163.5000109.6
265K24.3Very low26.2Very low148 Ų148128.5 Ų128.564%0.64371%0.709SS**  trans64.9124.3148-70158178.1148.20114.6
266S24.6Very low26.1Very low93 Ų93128 Ų12865%0.6571%0.711SS**  56.163.159.990.70000113
267D24.5Very low26.1Very low137 Ų137129 Ų12973%0.73371%0.714SS**  trans-143.4119.6154.9-80.8-41.9000104.4
268I28.1Very low26.3Very low138 Ų138127.5 Ų127.571%0.70871%0.706SS**  cis56.8130.718.5-42.7-177000111.9
269T22.6Very low26.8Very low110 Ų110129 Ų12968%0.67571%0.708SS**  trans72.2150.8-177.984.10000115.1
270T22.9Very low26.9Very low123 Ų123128.7 Ų128.776%0.75571%0.71SS**  cis-164.4132.5-3026.30000108.5
271T29.2Very low27.2Very low153 Ų153128.7 Ų128.794%0.93971%0.714SS**  trans-157.6135.7143.527.50000111.9
272S23.8Very low27Very low108 Ų108128.9 Ų128.976%0.75572%0.719SS**  trans-83.9166.1179.749.20000114.6
273S27.9Very low27Very low120 Ų120128.5 Ų128.584%0.83972%0.723SS**  trans104.6124168.1-44.10000113.4
274S27.1Very low26.9Very low107 Ų107126.3 Ų126.375%0.74872%0.718SS**SBendcis-122.3136.917570000115.1
275N24.8Very low27Very low152 Ų152129.9 Ų129.981%0.81373%0.725SS**  trans36.9116.9141-58.5-8.6000119
276T26.4Very low27Very low127 Ų127127.5 Ų127.578%0.77973%0.727SS**  cis-156.8144.77.749.80000111.2
277M28.7Very low27.1Very low169 Ų169130.2 Ų130.283%0.83373%0.729SS**  trans38.2133.1156.1-86-172.2153.200119.9
278N30.5Very low27.1Very low110 Ų110129.5 Ų129.559%0.58873%0.725SS**  cis-166.1148.338.8-118.9-23.5000112.2
279H38.7Very low27.1Very low152 Ų152131.5 Ų131.570%0.70473%0.729SS**  trans54.6125.9160-71.5-80.5000118.6
280I27.6Very low27.4Very low137 Ų137131.2 Ų131.270%0.70373%0.727SS**  53.2115.264.5-64.6177.7000110.8
281T29.4Very low27.5Very low102 Ų102131.9 Ų131.963%0.62672%0.723SS**  cis-166.8-173.8-0.721.70000105.7
282D25.3Very low27.6Very low128 Ų128131.4 Ų131.468%0.68471%0.71SS**  trans9.9136.1133.5-36.4-31.6000118.6
283I29.4Very low27.8Very low136 Ų136131.3 Ų131.370%0.69770%0.701SS**  179.5111.9111.3-87.4151000106.5Y285I283-Y285 HydrophobicContact CG2-CD2 3.46Å; I283-Y285 VanDerWaalsContact CG2-CD2 3.46Å; I283-Y285 HydrophobicContact CG2-CE2 3.73Å
284S23.9Very low27.9Very low87 Ų87132.3 Ų132.361%0.60870%0.697SS**  cis7645.544.692.70000115.6
285Y28Very low28.1Very low191 Ų191132.3 Ų132.375%0.74969%0.692SS**  trans-140.9122.3154.3-74.1-80.1000106.7I283I283-Y285 HydrophobicContact CG2-CD2 3.46Å; I283-Y285 VanDerWaalsContact CG2-CD2 3.46Å; I283-Y285 HydrophobicContact CG2-CE2 3.73Å
286S24.4Very low28.3Very low97 Ų97131.9 Ų131.968%0.67869%0.69SS**  cis52.679.619.176.40000114.1
287H26.8Very low28.6Very low151 Ų151130 Ų13070%0.69968%0.682SS**  trans-171.3137.4149.2-106.554.1000107.5
288N24.5Very low28.7Very low122 Ų122128 Ų12865%0.65267%0.674SS**  42.9111.287.6-58.5-44.1000110.8
289K28.3Very low28.6Very low180 Ų180128.8 Ų128.878%0.78368%0.678SS**  -154.1146.653.3-93.2179.6178173.30110.3
290T27.2Very low28Very low104 Ų104129.7 Ų129.764%0.63868%0.684SS**  50.3160.983.687.20000115.1
291M26.3Very low28Very low136 Ų136128.1 Ų128.167%0.6768%0.681SS**  trans80.198.4-174.5-40.7-48-90.200111.3
292E30Very low28Very low144 Ų144129.1 Ų129.167%0.67368%0.683SS**  115.4157.359.6-102.3179.9-173.600106.9
293N28.5Very low28.3Very low105 Ų105128.9 Ų128.956%0.56168%0.681SS**  cis-154.2161.17.7-140.1-35.6000111.1
294L29.6Very low28.2Very low142 Ų142129.2 Ų129.274%0.74368%0.683SS**  trans65.7137.1159.7-52.9167.1000116.3
295T32.3Very low28.3Very low107 Ų107132.5 Ų132.566%0.65669%0.689SS**  cis-158.6145.83.51.10000110.6
296N29Very low28.3Very low143 Ų143134.1 Ų134.177%0.76569%0.694SS**  trans38.6140.9131.9-60.311.4000119.7
297S31.7Very low28.4Very low88 Ų88135.9 Ų135.962%0.61570%0.695SS**  cis178.7170.28.9-990000106.8
298N31.8Very low28.5Very low125 Ų125134.1 Ų134.167%0.66870%0.697SS**  cis-160129.5-6.3-106.76.7000106.6
299I27.5Very low28.7Very low128 Ų128132 Ų13266%0.65669%0.686SS**  80.8112.799.2-68.6177.6000115.9
300M26.7Very low28.7Very low171 Ų171128.4 Ų128.484%0.84268%0.675SS**  trans59.8151.3143.7-64.5176.2152.100120.1
301T26.8Very low28.8Very low103 Ų103127 Ų12763%0.63266%0.663SS**  cis-156.2-177.3-4.414.30000110.1
302D30.1Very low29Very low124 Ų124125.3 Ų125.366%0.66366%0.66SS**  trans76.7144.4158.4-49.3-50.9000118
303N30.5Very low28.8Very low122 Ų122123.3 Ų123.365%0.65266%0.661SS**  cis-153127.7-27.4-104.6-35.3000111.5
304I28.1Very low28.7Very low144 Ų144128.1 Ų128.174%0.73867%0.672SS**  trans26.5110.2137.1-60.2166.6000117.8
305Q25.9Very low28.5Very low156 Ų156130.9 Ų130.973%0.72967%0.672SS**  175.5144.799.6-125171.7-6.700114.7
306W27.5Very low28.2Very low224 Ų224131.3 Ų131.385%0.84867%0.671SS**  trans57.1149.3164.3-58.9108.5000122.4
307L26.3Very low28Very low134 Ų134133.7 Ų133.770%0.70267%0.67SS**  trans-129.7179-178.5-78.7173.7000108.1
308P29.6Very low27.8Very low114 Ų114135.4 Ų135.474%0.7467%0.672SS**  cis-117154.54.842-28.8000113.4
309N28.3Very low27.5Very low79 Ų79135.7 Ų135.742%0.42268%0.684SS.*  54.6129.468-65.6-16000114.2P170P170-N309 HydrophobicContact CG-CB 3.75Å; P170-N309 VanDerWaalsContact CG-ND2 3.33Å; P170-N309 WeakPolarHBondContact CG-ND2 3.23Å; P170-N309 WeakPolarHBondContact CG-OD1 3.38Å
310N29Very low27.4Very low103 Ų103136.4 Ų136.455%0.55169%0.688SS**  cis128.31279.2-102.5-47.2000108.8P170P170-N310 VanDerWaalsContact CD-CB 3.47Å; P170-N310 HydrophobicContact CG-CB 3.67Å
311N29Very low27.4Very low75 Ų75133.6 Ų133.640%0.40168%0.684SS.*  trans73.4129.8138.1-73.6-17.8000123.1P169P169-N311 HydrophobicContact CB-CB 3.87Å; P169-N311 HydrophobicContact CG-CB 4.04Å
312V29.8Very low27.5Very low100 Ų100134.7 Ų134.761%0.60669%0.686SS**  67.3113.5120.1174.80000117.7P169P169-V312 HydrophobicContact CG-CB 3.88Å; P169-V312 HydrophobicContact CG-CG1 3.86Å; P169-V312 HydrophobicContact CG-CG2 4.33Å
313C26.3Very low27.5Very low103 Ų103134.8 Ų134.870%0.69669%0.687SS**  74.713356-1680000114.7
314R26.1Very low27.6Very low205 Ų205135 Ų13577%0.77469%0.688SS**  trans17.1123.8162.9-63.2171159.9-175.2-6.5118.8
315R25.9Very low27.8Very low201 Ų201134.4 Ų134.476%0.75868%0.682SS**  175.9134.794-92.8-169.1-137.176.9-7.9114
316D25.9Very low28Very low116 Ų116133.6 Ų133.662%0.6268%0.682SS**  59.1164.6126.4-43.5-13.5000124
317Y25.6Very low28.2Very low193 Ų193127.7 Ų127.776%0.75767%0.671SS**  trans77.295.7158.4-67-65.4000121.5
318N26.3Very low28.3Very low124 Ų124127.1 Ų127.166%0.66367%0.669SS**  40.5116121.3-60.1-0.7000119L320N318-L320 HydrophobicContact CB-CD1 3.99Å
319S27.3Very low28.2Very low130 Ų130128.1 Ų128.191%0.90966%0.662SS**  trans-72.7121.8143.8-170.80000109.3
320L25Very low28.2Very low143 Ų143132 Ų13275%0.74967%0.672SS**  trans-85.3133.1175.5-85.270.2000110.7N318N318-L320 HydrophobicContact CB-CD1 3.99Å
321C25.4Very low28.1Very low112 Ų112135 Ų13576%0.75768%0.675SS**  trans-162.7136.1143.3-96.60000107.5
322N29.7Very low28.1Very low126 Ų126139 Ų13967%0.67469%0.689SS**  cis-132151.314-73.9-70.4000111.5
323N30.1Very low28Very low126 Ų126139.1 Ų139.167%0.67469%0.694SS**  38139.7124.6-41.5-22.7000118.6
324D32.2Very low28.4Very low127 Ų127139.5 Ų139.568%0.67970%0.695SS**  cis-161.2156.146.3-125.8-29.9000116.4
325Q32.2Very low28.5Very low132 Ų132135 Ų13562%0.61770%0.696SS**  trans59.2115.7150.9-62.2-45.9-59.100123.1
326L30.2Very low28.7Very low138 Ų138129.7 Ų129.772%0.72369%0.689SS**  trans70.9142130.4-52.1171.9000119.1
327T31Very low28.9Very low101 Ų101131.3 Ų131.362%0.6270%0.698SS**  cis-164.7154.2-2.310.70000112.4
328N28.6Very low29Very low122 Ų122127.2 Ų127.265%0.65270%0.697SS**  trans38.8145.1131.4-59.2-3.8000121.3
329F27.9Very low29.2Very low135 Ų135124.4 Ų124.459%0.59270%0.698SS**  cis-173.6159.7-3-119.6-44.7000109.1
330Y28.7Very low29.3Very low161 Ų161125.1 Ų125.163%0.63169%0.692SS**  trans65.8157.6148.8-65.5-35.6000118.1
331R26.8Very low29.4Very low166 Ų166129 Ų12963%0.62670%0.698SS**  cis-160.2150.3-6.8-119.4163.8-170.1-147.7-1.8111
332F29.3Very low29.6Very low158 Ų158127.1 Ų127.169%0.69370%0.698SS**  trans54.2134.7154-53.9-46.6000118.9
333S27.4Very low29.5Very low103 Ų103129.1 Ų129.172%0.7271%0.708SS**  cis74.6154.427.3-410000114.9
334P35.3Very low29.5Very low110 Ų110128.5 Ų128.571%0.71471%0.71SS**  -139.4-160.4-5140.8-24.5000111.6
335S28Very low29.3Very low112 Ų112129.9 Ų129.978%0.78372%0.718SS**  trans75163157.582.80000116.7
336S30Very low29.2Very low89 Ų89127.9 Ų127.962%0.62272%0.716SS**  cis-155.315916.363.10000114.1
337N29.2Very low29.2Very low149 Ų149129.6 Ų129.680%0.79772%0.721SS**  trans64.5151.6141.4-71.43.6000121.3
338S29.2Very low29.1Very low107 Ų107131 Ų13175%0.74873%0.729SS**  cis-172.3145.6-15.649.20000112.7
339G29.8Very low29Very low66 Ų66133 Ų13368%0.6874%0.738SS**  trans84.3161.5152.600000116.9
340N29.6Very low28.9Very low145 Ų145131.5 Ų131.578%0.77574%0.742SS**  cis-147.8152-2.9-110.62.2000113.1
341Y26.9Very low28.7Very low223 Ų223130.7 Ų130.788%0.87575%0.748SS**  trans-32.2148.1173.3-48.6-89.8000117.9
342G28.7Very low28.5Very low73 Ų73132.2 Ų132.275%0.75376%0.755SS**  trans-151.721.3-173.500000119.3
343L28.1Very low28.2Very low169 Ų169131.4 Ų131.489%0.88576%0.758SS**  trans66.6-179.7168.9-56.4159.9000114.2
344P30.3Very low28.2Very low113 Ų113134.4 Ų134.473%0.73476%0.761SS**  -136.5165.8-85.342.8-25.7000116
345N29.2Very low27.8Very low155 Ų155135 Ų13583%0.82976%0.758SS**  trans-61.6154.1151.8-111.2-1.9000109.2
346P29.6Very low27.6Very low90 Ų90137.5 Ų137.558%0.58475%0.75SS**  -150.3-162.757.443.6-23.9000114.8
347E30Very low27.4Very low175 Ų175140 Ų14082%0.81876%0.756SS**  trans67.1144.8153-75.2159.8-146.600118.9
348V28.7Very low27.2Very low130 Ų130139.4 Ų139.479%0.78876%0.762SS**  cis-164146.3-31.7110.30000106
349L26.3Very low27.1Very low163 Ų163139.4 Ų139.485%0.85375%0.75SS**  trans-61141.6170.4-68159.1000108.9
350P24.9Very low27Very low104 Ų104142.2 Ų142.268%0.67575%0.754SS**  -159.5-166.55345.6-24.2000116.9
351L24.5Very low26.8Very low145 Ų145142.1 Ų142.176%0.75975%0.754SS**  trans56.6119.8149.4-71.3167.7000121.8
352Y23Very low26.7Very low198 Ų198138.1 Ų138.178%0.77675%0.746SS**  trans54.3127.7136-89.6-102.4000122.4
353N23Very low26.5Very low140 Ų140142.4 Ų142.475%0.74975%0.747SS**  trans58.3122.1158.8-64.8-12.8000118.1
354E27.2Very low26.6Very low167 Ų167143.5 Ų143.578%0.7875%0.747SS**  -173.6152.2101.8-99.2-166.515300113.1
355L27.2Very low26.5Very low123 Ų123140.9 Ų140.964%0.64473%0.731SS**  trans34.6142.1138-55.6171.7000120.9
356R24.2Very low26.2Very low164 Ų164141 Ų14162%0.61972%0.72SS**  cis-177.2-178-18-127.7-174.1-151.6-124.93.4106.8E359R356-E359 VanDerWaalsContact CD-OE2 3.26Å; R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE1 3.09Å; R356-E359 IonicContact CZ-OE2 3.38Å; R356-E359 IonicContact NE-OE1 3.48Å; R356-E359 PolarHBondContact NE-OE1 3.4Å; R356-E359 IonicContact NE-OE2 3.56Å; R356-E359 IonicContact NH1-OE1 2.95Å; R356-E359 PolarHBondContact NH1-OE1 3.01Å; R356-E359 IonicContact NH1-OE2 2.69Å; R356-E359 PolarHBondContact NH1-OE2 3.16Å; R356-E359 IonicContact NH2-OE1 3.61Å
357N25.7Very low26.2Very low141 Ų141145.3 Ų145.375%0.75473%0.73SS**SBendtrans73.7115.1177-42.1-35.5000113.2
358C25.2Very low26.2Very low136 Ų136139.9 Ų139.992%0.91971%0.706SS**  cis-110123.611.2-61.80000113
359E27.1Very low26.5Very low107 Ų107137 Ų13750%0.569%0.689SS.*  trans-95.2155.2161.3-56.6154.3117.400106.9R356R356-E359 VanDerWaalsContact CD-OE2 3.26Å; R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE1 3.09Å; R356-E359 IonicContact CZ-OE2 3.38Å; R356-E359 IonicContact NE-OE1 3.48Å; R356-E359 PolarHBondContact NE-OE1 3.4Å; R356-E359 IonicContact NE-OE2 3.56Å; R356-E359 IonicContact NH1-OE1 2.95Å; R356-E359 PolarHBondContact NH1-OE1 3.01Å; R356-E359 IonicContact NH1-OE2 2.69Å; R356-E359 PolarHBondContact NH1-OE2 3.16Å; R356-E359 IonicContact NH2-OE1 3.61Å
360T27.1Very low26.9Very low125 Ų125133.1 Ų133.177%0.76767%0.669SS**  cis-128.4169858.20000108.6
361N25.3Very low27.8Very low144 Ų144133.7 Ų133.777%0.7767%0.666SS**  cis-123.8129.828-61.2-18.6000112.6
362I25.5Very low28.5Very low138 Ų138130.7 Ų130.771%0.70865%0.65SS**  trans-86.5120.1160.8-65.4168.8000107H364I362-H364 HydrophobicContact CG2-CB 4.04Å
363E24.8Very low29.5Very low164 Ų164125.5 Ų125.577%0.76664%0.635SS**  trans-11860.7158.1-69.6-150.4136.400111.8S365E363-S365 WeakPolarHBondContact CA-OG 3.46Å; E363-S365 PolarHBondContact O-N 2.98Å
364H30.2Very low30.6Very low192 Ų192124.1 Ų124.189%0.88962%0.622SS**  trans-69.642143.4-84.7-55000110.4I362I362-H364 HydrophobicContact CG2-CB 4.04Å
365S27.4Very low31.4Very low57 Ų57122.9 Ų122.940%0.39961%0.61SS.*  trans-154.1103.2-169.754.10000109E363E363-S365 WeakPolarHBondContact CA-OG 3.46Å; E363-S365 PolarHBondContact O-N 2.98Å
366R24.2Very low32.1Very low157 Ų157123.1 Ų123.159%0.59261%0.606SS**  cis-124.2140.6-4.4-66.6171.2165.4157.2-11108.6D368 N370R366-D368 HydrophobicContact CB-CB 4.17Å; R366-D368 WeakPolarHBondContact O-CA 3.23Å; R366-D368 PolarHBondContact O-N 3.44Å; R366-N370 VanDerWaalsContact CZ-ND2 3.35Å; R366-N370 PolarHBondContact NH1-ND2 2.62Å; R366-N370 PolarHBondContact NH1-OD1 2.9Å
367F28Very low33.3Very low182 Ų182117.1 Ų117.180%0.79859%0.588SS**SBendtrans-57.298.2143.8-160-45.3000103.1T369F367-T369 PolarHBondContact O-N 3.32Å; F367-T369 PolarHBondContact O-OG1 2.81Å
368D29.6Very low34Very low61 Ų61114 Ų11433%0.32657%0.571SS.*SBendtrans-7774.1-139.8-158.8-13.1000114.2R366 N370 L371 L372R366-D368 HydrophobicContact CB-CB 4.17Å; R366-D368 WeakPolarHBondContact O-CA 3.23Å; R366-D368 PolarHBondContact O-N 3.44Å; D368-N370 PolarHBondContact O-N 2.88Å; D368-N370 VanDerWaalsContact OD1-C 3.29Å; D368-N370 VanDerWaalsContact OD1-CA 3.27Å; D368-N370 WeakPolarHBondContact OD1-CA 3.1Å; D368-N370 WeakPolarHBondContact OD1-CB 3.41Å; D368-N370 PolarHBondContact OD1-N 3.38Å; D368-L371 HydrophobicContact CB-CB 3.98Å; D368-L371 VanDerWaalsContact CG-N 3.35Å; D368-L371 CarbonylContact O-C 3.58Å; D368-L371 VanDerWaalsContact O-C 3.3Å; D368-L371 WeakPolarHBondContact O-CA 3.39Å; D368-L371 PolarHBondContact O-N 3.29Å; D368-L371 PolarHBondContact OD1-N 3.31Å; D368-L372 WeakPolarHBondContact O-CA 2.97Å; D368-L372 WeakPolarHBondContact O-CB 3.34Å; D368-L372 PolarHBondContact O-N 2.69Å
369T35.8Very low34.9Very low69 Ų69111.8 Ų111.842%0.42355%0.547SS..THydrogen-bonded Turntrans-65.723.9165.951.20000111.9F367 I373F367-T369 PolarHBondContact O-N 3.32Å; F367-T369 PolarHBondContact O-OG1 2.81Å; T369-I373 WeakPolarHBondContact O-CB 3.1Å; T369-I373 VanDerWaalsContact O-CD1 3.23Å; T369-I373 WeakPolarHBondContact O-CD1 3.32Å; T369-I373 WeakPolarHBondContact O-CG1 3.33Å
370N34.1Very low35.5Very low81 Ų81110.2 Ų110.243%0.43354%0.542SS..THydrogen-bonded Turntrans-134.31.1160.9-80.6-114.1000111.8R366 D368 K374R366-N370 VanDerWaalsContact CZ-ND2 3.35Å; R366-N370 PolarHBondContact NH1-ND2 2.62Å; R366-N370 PolarHBondContact NH1-OD1 2.9Å; D368-N370 PolarHBondContact O-N 2.88Å; D368-N370 VanDerWaalsContact OD1-C 3.29Å; D368-N370 VanDerWaalsContact OD1-CA 3.27Å; D368-N370 WeakPolarHBondContact OD1-CA 3.1Å; D368-N370 WeakPolarHBondContact OD1-CB 3.41Å; D368-N370 PolarHBondContact OD1-N 3.38Å; N370-K374 WeakPolarHBondContact O-CB 3.38Å
371L45.7Very low36.2Very low117 Ų117108 Ų10861%0.61353%0.525SS*.THydrogen-bonded Turntrans-116.5-2.9157.8-128.483.4000113.5D368 W375D368-L371 HydrophobicContact CB-CB 3.98Å; D368-L371 VanDerWaalsContact CG-N 3.35Å; D368-L371 CarbonylContact O-C 3.58Å; D368-L371 VanDerWaalsContact O-C 3.3Å; D368-L371 WeakPolarHBondContact O-CA 3.39Å; D368-L371 PolarHBondContact O-N 3.29Å; D368-L371 PolarHBondContact OD1-N 3.31Å; L371-W375 VanDerWaalsContact C-N 3.32Å; L371-W375 WeakPolarHBondContact O-CB 3.46Å; L371-W375 PolarHBondContact O-N 3.22Å
372L37.9Very low37Very low82 Ų82107.9 Ų107.943%0.42952%0.518SS..THydrogen-bonded Turntrans-134-16.4-178.4-178.264.3000110.5D368 W375 K376D368-L372 WeakPolarHBondContact O-CA 2.97Å; D368-L372 WeakPolarHBondContact O-CB 3.34Å; D368-L372 PolarHBondContact O-N 2.69Å; L372-W375 HydrophobicContact CD1-CE3 4.28Å; L372-K376 WeakPolarHBondContact O-CB 3.18Å
373I44.2Very low37.6Very low89 Ų89109.4 Ų109.446%0.45652%0.521SS..Hα-helixtrans-73.2-61.2138.1-63.9-176.1000106T369 W375 K376 T377T369-I373 WeakPolarHBondContact O-CB 3.1Å; T369-I373 VanDerWaalsContact O-CD1 3.23Å; T369-I373 WeakPolarHBondContact O-CD1 3.32Å; T369-I373 WeakPolarHBondContact O-CG1 3.33Å; I373-W375 VanDerWaalsContact C-N 3.3Å; I373-W375 CarbonylContact O-C 3.6Å; I373-W375 PolarHBondContact O-N 2.95Å; I373-K376 CarbonylContact O-C 3.55Å; I373-K376 VanDerWaalsContact O-C 3.28Å; I373-K376 WeakPolarHBondContact O-CA 3.35Å; I373-K376 PolarHBondContact O-N 3.47Å; I373-T377 WeakPolarHBondContact CG2-OG1 3.35Å; I373-T377 WeakPolarHBondContact O-CA 3.38Å; I373-T377 WeakPolarHBondContact O-CB 3.44Å; I373-T377 PolarHBondContact O-N 2.78Å; I373-T377 PolarHBondContact O-OG1 3.15Å; I373-T377 VanDerWaalsContact O-OG1 3.13Å
374K47.2Very low38Very low110 Ų110108.2 Ų108.248%0.47852%0.516SS..Hα-helixtrans-54.6-29.6179.4-173.3-179.1172.1-177.40116.1N370 T377 D378N370-K374 WeakPolarHBondContact O-CB 3.38Å; K374-T377 CarbonylContact O-C 3.23Å; K374-D378 WeakPolarHBondContact CE-OD2 3.33Å; K374-D378 WeakPolarHBondContact CG-OD1 3.21Å; K374-D378 WeakPolarHBondContact CG-OD2 3.31Å; K374-D378 WeakPolarHBondContact O-CA 3.12Å; K374-D378 WeakPolarHBondContact O-CB 3.25Å; K374-D378 PolarHBondContact O-N 3.4Å
375W43.6Very low38.1Very low141 Ų141103.3 Ų103.353%0.53450%0.503SS..Hα-helixtrans-73.4-43.7168.9-16764.9000112L371 L372 I373 T377 E379L371-W375 VanDerWaalsContact C-N 3.32Å; L371-W375 WeakPolarHBondContact O-CB 3.46Å; L371-W375 PolarHBondContact O-N 3.22Å; L372-W375 HydrophobicContact CD1-CE3 4.28Å; I373-W375 VanDerWaalsContact C-N 3.3Å; I373-W375 CarbonylContact O-C 3.6Å; I373-W375 PolarHBondContact O-N 2.95Å; W375-T377 PolarHBondContact O-N 3.04Å; W375-E379 WeakPolarHBondContact O-CB 3.34Å; W375-E379 WeakPolarHBondContact O-CG 3.12Å; W375-E379 PolarHBondContact O-N 2.96Å
376K41.3Very low38.3Very low128 Ų128108.4 Ų108.456%0.55753%0.526SS*.Hα-helixtrans-68.5-13.5172.8-164179.8-178.8-173.60114L372 I373 I380L372-K376 WeakPolarHBondContact O-CB 3.18Å; I373-K376 CarbonylContact O-C 3.55Å; I373-K376 VanDerWaalsContact O-C 3.28Å; I373-K376 WeakPolarHBondContact O-CA 3.35Å; I373-K376 PolarHBondContact O-N 3.47Å; K376-I380 HydrophobicContact CG-CD1 4.19Å; K376-I380 WeakPolarHBondContact O-CB 3.43Å; K376-I380 WeakPolarHBondContact O-CD1 2.93Å; K376-I380 WeakPolarHBondContact O-CG1 3.06Å; K376-I380 PolarHBondContact O-N 3.32Å
377T48.8Very low38.3Very low38 Ų38106.5 Ų106.523%0.23354%0.535CS..Hα-helixtrans-116-16.9-175.5-62.70000111.2I373 K374 W375 E379 N381I373-T377 WeakPolarHBondContact CG2-OG1 3.35Å; I373-T377 WeakPolarHBondContact O-CA 3.38Å; I373-T377 WeakPolarHBondContact O-CB 3.44Å; I373-T377 PolarHBondContact O-N 2.78Å; I373-T377 PolarHBondContact O-OG1 3.15Å; I373-T377 VanDerWaalsContact O-OG1 3.13Å; K374-T377 CarbonylContact O-C 3.23Å; W375-T377 PolarHBondContact O-N 3.04Å; T377-E379 VanDerWaalsContact C-N 3.3Å; T377-N381 WeakPolarHBondContact CG2-OD1 3.27Å; T377-N381 WeakPolarHBondContact O-CA 3.36Å; T377-N381 WeakPolarHBondContact O-CB 3.42Å; T377-N381 PolarHBondContact O-N 3.4Å; T377-N381 PolarHBondContact O-ND2 3.23Å; T377-N381 PolarHBondContact O-OD1 2.87Å
378D41.1Very low38.4Very low75 Ų75104.6 Ų104.640%0.40153%0.533SS..Hα-helixtrans-79.8-18.9154.1-67.2-10.9000109.4K374 K382K374-D378 WeakPolarHBondContact CE-OD2 3.33Å; K374-D378 WeakPolarHBondContact CG-OD1 3.21Å; K374-D378 WeakPolarHBondContact CG-OD2 3.31Å; K374-D378 WeakPolarHBondContact O-CA 3.12Å; K374-D378 WeakPolarHBondContact O-CB 3.25Å; K374-D378 PolarHBondContact O-N 3.4Å; D378-K382 WeakPolarHBondContact O-CB 3.1Å; D378-K382 VanDerWaalsContact O-CD 3.24Å; D378-K382 WeakPolarHBondContact O-CD 3.17Å; D378-K382 WeakPolarHBondContact O-CG 3.36Å
379E43.4Very low38.5Very low90 Ų90109.3 Ų109.342%0.42155%0.553SS.*Hα-helixtrans-79-51.8162.2-77.6-174.7145.400111.9W375 T377 K382 H383W375-E379 WeakPolarHBondContact O-CB 3.34Å; W375-E379 WeakPolarHBondContact O-CG 3.12Å; W375-E379 PolarHBondContact O-N 2.96Å; T377-E379 VanDerWaalsContact C-N 3.3Å; E379-K382 PolarHBondContact O-N 3.4Å; E379-H383 PolarHBondContact O-N 2.94Å
380I40.9Very low38.1Very low74 Ų74111.3 Ų111.338%0.37956%0.562SS.*Hα-helixtrans-68.6-43.9179-73.3165.2000112.1K376 K382 H383 E384K376-I380 HydrophobicContact CG-CD1 4.19Å; K376-I380 WeakPolarHBondContact O-CB 3.43Å; K376-I380 WeakPolarHBondContact O-CD1 2.93Å; K376-I380 WeakPolarHBondContact O-CG1 3.06Å; K376-I380 PolarHBondContact O-N 3.32Å; I380-K382 VanDerWaalsContact C-N 3.26Å; I380-K382 PolarHBondContact O-N 2.95Å; I380-H383 CarbonylContact O-C 3.43Å; I380-H383 WeakPolarHBondContact O-CA 3.17Å; I380-H383 WeakPolarHBondContact O-CB 3.14Å; I380-H383 PolarHBondContact O-N 2.85Å; I380-E384 HydrophobicContact CG2-CG 4.16Å; I380-E384 WeakPolarHBondContact CG2-OE2 3.49Å; I380-E384 PolarHBondContact O-N 3.17Å
381N40.6Very low37.9Very low78 Ų78113.3 Ų113.342%0.41757%0.568SS.*Hα-helixtrans-68.3-24.5176-60.8-6.1000112.1T377 H383 E384 S385T377-N381 WeakPolarHBondContact CG2-OD1 3.27Å; T377-N381 WeakPolarHBondContact O-CA 3.36Å; T377-N381 WeakPolarHBondContact O-CB 3.42Å; T377-N381 PolarHBondContact O-N 3.4Å; T377-N381 PolarHBondContact O-ND2 3.23Å; T377-N381 PolarHBondContact O-OD1 2.87Å; N381-H383 PolarHBondContact O-N 3.22Å; N381-E384 PolarHBondContact O-N 3.5Å; N381-S385 WeakPolarHBondContact O-CB 3.33Å; N381-S385 PolarHBondContact O-N 2.93Å; N381-S385 PolarHBondContact O-OG 2.99Å; N381-S385 VanDerWaalsContact O-OG 3.06Å
382K42.2Very low37.2Very low143 Ų143113.9 Ų113.962%0.62256%0.563SS**Hα-helixtrans-66.9-15.7167.6-87.7-178.5-177.2179.90113.5D378 E379 I380D378-K382 WeakPolarHBondContact O-CB 3.1Å; D378-K382 VanDerWaalsContact O-CD 3.24Å; D378-K382 WeakPolarHBondContact O-CD 3.17Å; D378-K382 WeakPolarHBondContact O-CG 3.36Å; E379-K382 PolarHBondContact O-N 3.4Å; I380-K382 VanDerWaalsContact C-N 3.26Å; I380-K382 PolarHBondContact O-N 2.95Å
383H38.7Very low36.6Very low169 Ų169118.3 Ų118.378%0.78258%0.575SS**Hα-helixtrans-102.6-17.8171.4-86.6-81.5000114.1E379 I380 N381E379-H383 PolarHBondContact O-N 2.94Å; I380-H383 CarbonylContact O-C 3.43Å; I380-H383 WeakPolarHBondContact O-CA 3.17Å; I380-H383 WeakPolarHBondContact O-CB 3.14Å; I380-H383 PolarHBondContact O-N 2.85Å; N381-H383 PolarHBondContact O-N 3.22Å
384E33.6Very low36Very low140 Ų140120.3 Ų120.365%0.65459%0.592SS**Hα-helixtrans-108.4-9.5-178.7-65.4-172.4146.600114.6I380 N381 N386I380-E384 HydrophobicContact CG2-CG 4.16Å; I380-E384 WeakPolarHBondContact CG2-OE2 3.49Å; I380-E384 PolarHBondContact O-N 3.17Å; N381-E384 PolarHBondContact O-N 3.5Å; E384-N386 PolarHBondContact O-N 3.33Å
385S31.8Very low35Very low89 Ų89122.3 Ų122.362%0.62260%0.603SS**SBendtrans-94.439.5178.284.50000114.6N381N381-S385 WeakPolarHBondContact O-CB 3.33Å; N381-S385 PolarHBondContact O-N 2.93Å; N381-S385 PolarHBondContact O-OG 2.99Å; N381-S385 VanDerWaalsContact O-OG 3.06Å
386N32.3Very low34.4Very low164 Ų164123.1 Ų123.188%0.87762%0.617SS**  trans-157.255.4163.7-115.3-6.8000113E384E384-N386 PolarHBondContact O-N 3.33Å
387C24.4Very low34.1Very low116 Ų116122.3 Ų122.378%0.78463%0.628SS**  trans-122.289.7166-85.20000110.2
388N29Very low33Very low142 Ų142130.8 Ų130.876%0.75966%0.656SS**  trans-157.5132159.4-112.7-37.3000110.4
389H31.3Very low32.6Very low161 Ų161136.1 Ų136.175%0.74568%0.678SS**  trans17.1135.8149.1-60.1-48.6000119.7
390N28.4Very low31.9Very low111 Ų111141 Ų14159%0.59470%0.701SS**  cis-169.8172.118-127.519.4000112.7
391E29.6Very low31.3Very low123 Ų123143.8 Ų143.858%0.57572%0.721SS**  trans70.4145.9149.8-71.1162.5-131.600118.7
392Y30.3Very low30.7Very low129 Ų129144.8 Ų144.851%0.50674%0.74SS.*  cis-140.3-170.4-11.5-122.9-78.6000110.2E1461Y392-E1461 WeakPolarHBondContact CB-OE1 3.33Å; Y392-E1461 VanDerWaalsContact CB-OE2 3.24Å; Y392-E1461 WeakPolarHBondContact CB-OE2 3.4Å; Y392-E1461 PolarHBondContact N-OE2 3.49Å
393Y26.4Very low30.1Very low175 Ų175143.4 Ų143.469%0.68675%0.749SS**  trans-84.8149.5-157.6-78-128.2000117.6
394T30.5Very low29.7Very low130 Ų130140.8 Ų140.880%0.79875%0.745SS**  166.8110.4111.739.90000109.3
395E27.5Very low29.5Very low153 Ų153139.8 Ų139.872%0.71575%0.748SS**  43.9109.383-64.6-162.7127.700113.2
396D31.2Very low29.4Very low157 Ų157143.7 Ų143.784%0.8476%0.757SS**  -161.8-16870.1-155-16.7000113.1
397S33.4Very low29.4Very low112 Ų112142 Ų14278%0.78375%0.747SS**  trans76.865.1171.4-58.30000118
398R27.5Very low29.6Very low216 Ų216146.4 Ų146.482%0.81575%0.749SS**  trans-74132.5163.6-53.4174.3-168.5170.64.9110.7
399H31.5Very low29.6Very low186 Ų186147.6 Ų147.686%0.86176%0.755SS**  trans159.365.6142.4-81.3-34.1000113.9
400Q29.9Very low29.6Very low193 Ų193146.7 Ų146.790%0.90275%0.748SS**  trans-160.161158.8-127.3161.697.900112.9
401V26.5Very low29.7Very low133 Ų133146.7 Ų146.781%0.80675%0.753SS**  trans-122.188179.8-175.20000110.2
402A28.7Very low29.7Very low98 Ų98148 Ų14881%0.8176%0.763SS**SBendtrans-154.912.5171.100000113
403S29.4Very low29.8Very low115 Ų115149.4 Ų149.480%0.80478%0.78SS**SBendtrans-137.418.5-164.8-168.50000114.3
404T30.8Very low30Very low114 Ų114149 Ų14970%0.69979%0.789SS**SBendtrans-133.43.8-172.66.40000114.4
405T29.4Very low29.9Very low118 Ų118147.8 Ų147.872%0.72478%0.777SS**SBendtrans-100.20.3-174.1-22.70000113.9
406Q29.7Very low30Very low172 Ų172149 Ų14980%0.80479%0.788SS**SBendtrans-91.9-19.2-172.2-148.873.325.800114.5
407D32.1Very low29.9Very low128 Ų128146.4 Ų146.468%0.68478%0.781SS**SBendtrans-100.6-2.3-171-78.1-53.6000115.2
408Y29Very low29.7Very low208 Ų208147.3 Ų147.382%0.81678%0.783SS**THydrogen-bonded Turntrans-88.65.6-179.7-122.5-90.8000115.1
409L29Very low30Very low168 Ų168145.8 Ų145.888%0.8878%0.782SS**THydrogen-bonded Turntrans-107.627.1177.3-79.3171.2000113.4
410K31.6Very low29.8Very low142 Ų142142.6 Ų142.662%0.61778%0.775SS**SBendtrans-121.117.6-177.3-101.4177.2-178.8168.40115.6
411T30.4Very low29.7Very low111 Ų111143 Ų14368%0.68177%0.77SS**SBendtrans-139.835.4-172.631.50000114.2
412N30Very low29.7Very low150 Ų150142.4 Ų142.480%0.80276%0.762SS**  trans-157.772.5166.6-108.8-31.1000113.8
413D30.9Very low29.6Very low159 Ų159144.5 Ų144.585%0.8576%0.755SS**  trans-142.751.9178.9-145.3-6.7000112.4
414N30.5Very low29.5Very low165 Ų165146.3 Ų146.388%0.88275%0.751SS**  trans-159.931.9173.4-107.5-57.2000115.6
415I28.5Very low29.5Very low106 Ų106147.8 Ų147.854%0.54475%0.754SS.*  trans-120.788.8170.9-54.2-178.4000110.9
416L29.9Very low29.4Very low179 Ų179149.8 Ų149.894%0.93776%0.758SS**  trans-153.9104.7151.3-125.4155.7000110.4
417S29.8Very low29.6Very low101 Ų101146.9 Ų146.971%0.70675%0.754SS**  trans-83156.2-157.5-56.80000115.5
418T28.6Very low29.3Very low132 Ų132146.6 Ų146.681%0.8176%0.761SS**  trans-66.9125.4155.633.70000111.1
419K33.8Very low29.3Very low183 Ų183145.9 Ų145.980%0.79676%0.762SS**  trans-178.7109.3130.3-99160.5-177.1-178.90115.5
420V28.4Very low29.5Very low120 Ų120146.2 Ų146.273%0.72776%0.759SS**  71.7126.7115.7174.70000122.8
421Y27.3Very low29.5Very low202 Ų202145.8 Ų145.879%0.79276%0.763SS**  trans82.6117.1151-80.4-43.1000126.6
422N26.4Very low29.6Very low119 Ų119145.6 Ų145.664%0.63676%0.758SS**  trans57.3124.1133.3-77.915.2000127
423Q27.2Very low29.8Very low143 Ų143141.8 Ų141.867%0.66874%0.744SS**  trans70.5114.6132.6-74.8173.2-87.100123.4
424E26.7Very low29.9Very low153 Ų153137.8 Ų137.872%0.71572%0.72SS**  92.5133.9129.3-80.9163.8-130.200123.2
425L29.6Very low30Very low144 Ų144134.9 Ų134.975%0.75470%0.704SS**  trans71.881.9157-62.4168000121.6
426I28.5Very low30.3Very low161 Ų161134 Ų13483%0.82670%0.701SS**  59.4144.9109.5-74.5174.6000121.1
427P32.8Very low30.4Very low110 Ų110131.6 Ų131.671%0.71469%0.688SS**  trans-132.9178.7-145.344.4-28.4000117.5
428C26.5Very low30.6Very low122 Ų122134.2 Ų134.282%0.82469%0.693SS**  trans-157.9140.8138.9-89.70000108.2
429K30Very low30.6Very low193 Ų193134.3 Ų134.384%0.83968%0.684SS**  cis94.4102.337.3-99.3-150.8175-1620114.5
430Q31.4Very low30.4Very low176 Ų176131.9 Ų131.982%0.82269%0.689SS**  trans-178.1122.4136.2-100162.4-16.400108.4
431N31.8Very low30.6Very low132 Ų132132.1 Ų132.171%0.70669%0.686SS**  77.9141.897.3-70.243000113
432N33.8Very low30.7Very low107 Ų107127.5 Ų127.557%0.57268%0.683SS**  cis-156.7134.7-7.3-119.537.4000107.3
433S33.9Very low31Very low71 Ų71129.7 Ų129.750%0.49769%0.693SS.*  69.9169.2106.462.50000114D1172 E1173S433-D1172 VanDerWaalsContact CB-O 3.26Å; S433-D1172 WeakPolarHBondContact CB-O 3.45Å; S433-D1172 PolarHBondContact OG-O 3.48Å; S433-E1173 CarbonylContact C-O 3.22Å; S433-E1173 VanDerWaalsContact C-O 3.22Å
434H33.5Very low31.2Very low74 Ų74129.3 Ų129.334%0.34370%0.696SS.*  cis-147.5-144.11.1-148.1-151.3000112.3D1171 E1173H434-D1171 IonicContact CE1-OD1 3.71Å; H434-D1171 PolarHBondContact CE1-OD1 2.79Å; H434-D1171 IonicContact CE1-OD2 2.68Å; H434-D1171 PolarHBondContact CE1-OD2 3.43Å; H434-D1171 IonicContact ND1-OD1 2.94Å; H434-D1171 PolarHBondContact ND1-OD1 3.38Å; H434-E1173 WeakPolarHBondContact CA-O 3.24Å; H434-E1173 VanDerWaalsContact CB-CA 3.42Å; H434-E1173 VanDerWaalsContact CB-N 3.31Å; H434-E1173 WeakPolarHBondContact CB-O 3.33Å; H434-E1173 PolarHBondContact N-O 2.84Å
435N32.6Very low31.3Very low104 Ų104131.3 Ų131.356%0.55671%0.705SS**  trans-166.2152.7-163.236.2-135.4000115.8
436N34.6Very low31.5Very low88 Ų88130.5 Ų130.547%0.47171%0.706SS.*  trans-165174.4164.2-96.8-30.3000111.1E1174N436-E1174 HydrophobicContact CB-CG 4.27Å; N436-E1174 WeakPolarHBondContact CB-OE1 3.3Å; N436-E1174 PolarHBondContact ND2-OE1 3.03Å
437L30.8Very low31.7Very low129 Ų129127.6 Ų127.668%0.67570%0.699SS**  cis-163.3174.9-41.3-160.859.9000111.9
438L33.4Very low31.9Very low155 Ų155128.1 Ų128.181%0.81269%0.692SS**  trans95.4112.4161.1-57166.6000117
439H28.7Very low32.3Very low135 Ų135129 Ų12963%0.62569%0.689SS**  cis99.4105.69.1-146.1132.8000116.4N441H439-N441 PolarHBondContact CD2-ND2 3.42Å; H439-N441 PolarHBondContact NE2-ND2 3.01Å
440C31.2Very low32.7Very low132 Ų132128.6 Ų128.689%0.89269%0.687SS**  trans-178.6115.4160.3-96.10000108.4
441N31.2Very low33.2Very low124 Ų124123.8 Ų123.866%0.66367%0.67SS**  cis107.3121.324.1-82.5-15.3000116.6H439H439-N441 PolarHBondContact CD2-ND2 3.42Å; H439-N441 PolarHBondContact NE2-ND2 3.01Å
442S30.3Very low33.7Very low106 Ų106122.3 Ų122.374%0.74166%0.657SS**  trans82.3154151.6-53.80000121.3
443I33.2Very low33.9Very low165 Ų165122.3 Ų122.385%0.84665%0.654SS**  trans79.3121.7175-52.4166.5000113.5
444D30.7Very low34.1Very low135 Ų135122.4 Ų122.472%0.72265%0.654SS**  cis-147.2124.82.4-155.1-6.6000111.9T446D444-T446 PolarHBondContact O-N 3.35Å
445E28.7Very low34.4Very low195 Ų195123 Ų12391%0.91166%0.659SS**THydrogen-bonded Turntrans-98.759.6-170-161177.5-156.600113.6
446T35Very low35Very low127 Ų127120.5 Ų120.578%0.77965%0.647SS**THydrogen-bonded Turntrans-138.4-7176.6-25.60000116.2D444D444-T446 PolarHBondContact O-N 3.35Å
447C31.4Very low35.2Very low100 Ų100119.4 Ų119.468%0.67664%0.641SS**SBendtrans-102.6-27.7-169.5-158.90000115.9N449 T451C447-N449 PolarHBondContact O-N 3.2Å; C447-T451 PolarHBondContact O-OG1 3.49Å
448E36.9Very low35.8Very low121 Ų121119 Ų11957%0.56564%0.64SS**Hα-helixtrans-68.6-31.8-168.2-82.6-153.6113.400115.9K450 T451 K452E448-K450 VanDerWaalsContact C-N 3.28Å; E448-K450 PolarHBondContact O-N 3.13Å; E448-T451 PolarHBondContact O-N 3.01Å; E448-K452 HydrophobicContact CB-CD 4.46Å; E448-K452 VanDerWaalsContact CD-CE 3.48Å; E448-K452 PolarHBondContact O-N 2.81Å; E448-K452 WeakPolarHBondContact OE1-CE 3.15Å; E448-K452 IonicContact OE1-NZ 3.69Å; E448-K452 PolarHBondContact OE1-NZ 3.02Å; E448-K452 IonicContact OE2-NZ 3.76Å; E448-K452 PolarHBondContact OE2-NZ 3.37Å
449N34.6Very low36.2Very low141 Ų141117.5 Ų117.575%0.75463%0.628SS**Hα-helixtrans-76.3-6.5-167.4-77.9-30.5000115.3C447C447-N449 PolarHBondContact O-N 3.2Å
450K38.6Very low37.2Very low183 Ų183113.9 Ų113.980%0.79661%0.612SS**Hα-helixtrans-96.1-35.4169.1-76.7177.2178.51720112.5E448E448-K450 VanDerWaalsContact C-N 3.28Å; E448-K450 PolarHBondContact O-N 3.13Å
451T41.5Very low37.8Very low75 Ų75111.3 Ų111.346%0.4659%0.589SS.*Hα-helixtrans-71.2-41.4-178.1-32.90000111.8C447 E448 Q453 S454 I455C447-T451 PolarHBondContact O-OG1 3.49Å; E448-T451 PolarHBondContact O-N 3.01Å; T451-Q453 VanDerWaalsContact C-N 3.33Å; T451-Q453 PolarHBondContact O-N 2.62Å; T451-S454 PolarHBondContact O-N 2.98Å; T451-I455 HydrophobicContact CG2-CD1 3.88Å; T451-I455 WeakPolarHBondContact O-CG1 2.98Å; T451-I455 PolarHBondContact O-N 2.8Å
452K43.3Very low38.8Very low102 Ų102109.2 Ų109.244%0.44358%0.581SS.*Hα-helixtrans-59.6-39.5179.1-74.6174.6176168.70112.6E448 V456E448-K452 HydrophobicContact CB-CD 4.46Å; E448-K452 VanDerWaalsContact CD-CE 3.48Å; E448-K452 PolarHBondContact O-N 2.81Å; E448-K452 WeakPolarHBondContact OE1-CE 3.15Å; E448-K452 IonicContact OE1-NZ 3.69Å; E448-K452 PolarHBondContact OE1-NZ 3.02Å; E448-K452 IonicContact OE2-NZ 3.76Å; E448-K452 PolarHBondContact OE2-NZ 3.37Å; K452-V456 WeakPolarHBondContact O-CB 3.47Å; K452-V456 VanDerWaalsContact O-CG2 3.3Å; K452-V456 WeakPolarHBondContact O-CG2 3.34Å; K452-V456 PolarHBondContact O-N 3.36Å
453Q38.5Very low39.7Very low107 Ų107110.2 Ų110.250%0.557%0.572SS.*Hα-helixtrans-68.9-39179.9-159.569.267.500112.7T451 N457T451-Q453 VanDerWaalsContact C-N 3.33Å; T451-Q453 PolarHBondContact O-N 2.62Å; Q453-N457 WeakPolarHBondContact O-CB 3.1Å; Q453-N457 PolarHBondContact O-N 3.19Å; Q453-N457 VanDerWaalsContact O-N 3.12Å; Q453-N457 PolarHBondContact O-OD1 2.93Å
454S36.9Very low40.4Very low73 Ų73105.3 Ų105.351%0.5155%0.552SS.*Hα-helixtrans-70.8-38.1176.7-670000112.9T451 L458T451-S454 PolarHBondContact O-N 2.98Å; S454-L458 WeakPolarHBondContact O-CG 3.44Å; S454-L458 PolarHBondContact O-N 3.49Å
455I41.3Very low41.5Very low87 Ų87103.9 Ų103.945%0.44654%0.541SS..Hα-helixtrans-67.6-45.3177.7-68.8171.7000110.8T451 N457 L458 Q459T451-I455 HydrophobicContact CG2-CD1 3.88Å; T451-I455 WeakPolarHBondContact O-CG1 2.98Å; T451-I455 PolarHBondContact O-N 2.8Å; I455-N457 PolarHBondContact O-N 2.64Å; I455-L458 PolarHBondContact O-N 3.33Å; I455-Q459 HydrophobicContact CG2-CG 4.46Å; I455-Q459 WeakPolarHBondContact O-CG 3.35Å; I455-Q459 PolarHBondContact O-N 2.96Å
456V43.4Very low42.5Very low51 Ų5199.8 Ų99.831%0.30952%0.523SS..Hα-helixtrans-59.7-46.2175.3169.80000111.2K452 L458 Q459 E460K452-V456 WeakPolarHBondContact O-CB 3.47Å; K452-V456 VanDerWaalsContact O-CG2 3.3Å; K452-V456 WeakPolarHBondContact O-CG2 3.34Å; K452-V456 PolarHBondContact O-N 3.36Å; V456-L458 VanDerWaalsContact C-N 3.27Å; V456-L458 PolarHBondContact O-N 3.16Å; V456-Q459 PolarHBondContact O-N 3.38Å; V456-E460 HydrophobicContact CG1-CG 4.33Å; V456-E460 PolarHBondContact O-N 2.87Å
457N39.4Very low43.5Very low64 Ų6497.2 Ų97.234%0.34250%0.504SS..Hα-helixtrans-64.4-28.3178.1-72-3.5000113.2Q453 I455 N461Q453-N457 WeakPolarHBondContact O-CB 3.1Å; Q453-N457 PolarHBondContact O-N 3.19Å; Q453-N457 VanDerWaalsContact O-N 3.12Å; Q453-N457 PolarHBondContact O-OD1 2.93Å; I455-N457 PolarHBondContact O-N 2.64Å; N457-N461 PolarHBondContact O-ND2 2.76Å
458L42.8Very low44.3Very low122 Ų12296.6 Ų96.664%0.63950%0.501SS*.Hα-helixtrans-77.7-41173.9-81163.6000112.2S454 I455 V456 T462S454-L458 WeakPolarHBondContact O-CG 3.44Å; S454-L458 PolarHBondContact O-N 3.49Å; I455-L458 PolarHBondContact O-N 3.33Å; V456-L458 VanDerWaalsContact C-N 3.27Å; V456-L458 PolarHBondContact O-N 3.16Å; L458-T462 WeakPolarHBondContact O-CG2 3.21Å; L458-T462 PolarHBondContact O-N 2.7Å; L458-T462 PolarHBondContact O-OG1 3.07Å
459Q43.7Very low45.5Very low122 Ų12296.4 Ų96.457%0.5750%0.498SS*.Hα-helixtrans-66.8-41.8177.4-71.9-172.8-80.700112.2I455 V456 T462 F463I455-Q459 HydrophobicContact CG2-CG 4.46Å; I455-Q459 WeakPolarHBondContact O-CG 3.35Å; I455-Q459 PolarHBondContact O-N 2.96Å; V456-Q459 PolarHBondContact O-N 3.38Å; Q459-T462 PolarHBondContact O-OG1 3.06Å; Q459-T462 VanDerWaalsContact O-OG1 3.08Å; Q459-F463 WeakPolarHBondContact O-CB 3.35Å; Q459-F463 PolarHBondContact O-N 3.17Å
460E48Very low46.4Very low59 Ų5995.7 Ų95.728%0.27649%0.49SS..Hα-helixtrans-71.6-36.2-176.7-73.4-176.2158.600113.7N220 V456 S464N220-E460 WeakPolarHBondContact CB-OE2 3.21Å; N220-E460 PolarHBondContact ND2-OE1 3.3Å; N220-E460 PolarHBondContact ND2-OE2 2.86Å; V456-E460 HydrophobicContact CG1-CG 4.33Å; V456-E460 PolarHBondContact O-N 2.87Å; E460-S464 VanDerWaalsContact O-CB 3.28Å; E460-S464 WeakPolarHBondContact O-CB 3.45Å; E460-S464 PolarHBondContact O-N 3.3Å; E460-S464 PolarHBondContact O-OG 2.85Å
461N44.4Very low47.4Very low78 Ų7891.8 Ų91.842%0.41748%0.475SS..Hα-helixtrans-68.8-44175.4-75-62.7000111N457 S464 E465N457-N461 PolarHBondContact O-ND2 2.76Å; N461-S464 PolarHBondContact O-N 3.27Å; N461-E465 WeakPolarHBondContact O-CB 2.94Å; N461-E465 PolarHBondContact O-N 2.87Å
462T53.1Low47.9Very low80 Ų8089.6 Ų89.649%0.49147%0.467SS..Hα-helixtrans-66.8-36.8175.450.50000112.5L458 Q459 M466L458-T462 WeakPolarHBondContact O-CG2 3.21Å; L458-T462 PolarHBondContact O-N 2.7Å; L458-T462 PolarHBondContact O-OG1 3.07Å; Q459-T462 PolarHBondContact O-OG1 3.06Å; Q459-T462 VanDerWaalsContact O-OG1 3.08Å; T462-M466 WeakPolarHBondContact O-CB 3.36Å; T462-M466 PolarHBondContact O-N 3.38Å
463F48.7Very low48.6Very low127 Ų12789.5 Ų89.556%0.55747%0.471SS*.Hα-helixtrans-69.4-39.7176.2-170.9-110.4000112.5Q459 M466 I467Q459-F463 WeakPolarHBondContact O-CB 3.35Å; Q459-F463 PolarHBondContact O-N 3.17Å; F463-M466 PolarHBondContact O-N 2.77Å; F463-I467 HydrophobicContact CD1-CD1 3.82Å; F463-I467 HydrophobicContact CE1-CD1 3.37Å; F463-I467 HydrophobicContact CE1-CG1 4.39Å; F463-I467 HydrophobicContact CE2-CD1 4.4Å; F463-I467 HydrophobicContact CZ-CD1 3.71Å; F463-I467 HydrophobicContact CZ-CG1 4.46Å; F463-I467 WeakPolarHBondContact O-CB 3.38Å; F463-I467 WeakPolarHBondContact O-CG1 3.42Å; F463-I467 PolarHBondContact O-N 2.88Å
464S47.6Very low49.5Very low62 Ų6291.2 Ų91.243%0.43447%0.474SS..Hα-helixtrans-65.6-43.7174.8-60.30000111.6E460 N461 M466 I467 S468E460-S464 VanDerWaalsContact O-CB 3.28Å; E460-S464 WeakPolarHBondContact O-CB 3.45Å; E460-S464 PolarHBondContact O-N 3.3Å; E460-S464 PolarHBondContact O-OG 2.85Å; N461-S464 PolarHBondContact O-N 3.27Å; S464-M466 VanDerWaalsContact C-N 3.34Å; S464-I467 PolarHBondContact O-N 3.36Å; S464-S468 PolarHBondContact O-N 2.95Å; S464-S468 PolarHBondContact O-OG 2.88Å
465E53.8Low50.2Low105 Ų10595.1 Ų95.149%0.49148%0.479SS..Hα-helixtrans-66.2-37.4176.1-161-171.7164.600111.8N461 S468 K469N461-E465 WeakPolarHBondContact O-CB 2.94Å; N461-E465 PolarHBondContact O-N 2.87Å; E465-S468 PolarHBondContact O-N 3.2Å; E465-K469 HydrophobicContact CG-CD 4.28Å; E465-K469 WeakPolarHBondContact O-CB 3.33Å; E465-K469 WeakPolarHBondContact O-CG 3.37Å; E465-K469 PolarHBondContact O-N 3.31Å; E465-K469 VanDerWaalsContact OE1-CE 3.25Å; E465-K469 WeakPolarHBondContact OE1-CE 3.4Å; E465-K469 IonicContact OE1-NZ 2.81Å; E465-K469 PolarHBondContact OE1-NZ 3.37Å
466M50.7Low51.2Low109 Ų10995 Ų9554%0.53748%0.479SS..Hα-helixtrans-63.7-43.9173.3-170.3-172.9-54.700111.7T462 F463 S464 K469 Q470T462-M466 WeakPolarHBondContact O-CB 3.36Å; T462-M466 PolarHBondContact O-N 3.38Å; F463-M466 PolarHBondContact O-N 2.77Å; S464-M466 VanDerWaalsContact C-N 3.34Å; M466-K469 PolarHBondContact O-N 3.23Å; M466-Q470 HydrophobicContact CG-CG 4.48Å; M466-Q470 VanDerWaalsContact O-CB 3.31Å; M466-Q470 WeakPolarHBondContact O-CB 3.06Å; M466-Q470 VanDerWaalsContact O-CG 3.25Å; M466-Q470 WeakPolarHBondContact O-CG 3.01Å; M466-Q470 PolarHBondContact O-N 2.63Å
467I54.2Low52.4Low74 Ų7497.6 Ų97.638%0.37949%0.491SS..Hα-helixtrans-63.8-43.7174.7-77.6-179.9000111F463 S464 K469 Q470 H471F463-I467 HydrophobicContact CD1-CD1 3.82Å; F463-I467 HydrophobicContact CE1-CD1 3.37Å; F463-I467 HydrophobicContact CE1-CG1 4.39Å; F463-I467 HydrophobicContact CE2-CD1 4.4Å; F463-I467 HydrophobicContact CZ-CD1 3.71Å; F463-I467 HydrophobicContact CZ-CG1 4.46Å; F463-I467 WeakPolarHBondContact O-CB 3.38Å; F463-I467 WeakPolarHBondContact O-CG1 3.42Å; F463-I467 PolarHBondContact O-N 2.88Å; S464-I467 PolarHBondContact O-N 3.36Å; I467-K469 PolarHBondContact O-N 3.42Å; I467-Q470 PolarHBondContact O-N 3.26Å; I467-H471 WeakPolarHBondContact O-CB 3.07Å; I467-H471 PolarHBondContact O-CD2 2.65Å; I467-H471 PolarHBondContact O-N 2.85Å
468S49.2Very low53.8Low86 Ų8698.1 Ų98.160%0.60149%0.493SS*.Hα-helixtrans-63.4-39.8176.2-68.30000112.6S464 E465 G472S464-S468 PolarHBondContact O-N 2.95Å; S464-S468 PolarHBondContact O-OG 2.88Å; E465-S468 PolarHBondContact O-N 3.2Å; S468-G472 PolarHBondContact O-N 3.32Å
469K61.9Low54.7Low118 Ų11899.5 Ų99.551%0.51349%0.49SS..Hα-helixtrans-69.8-40.4175.4-75.5170.2172.81710112.4E465 M466 I467 N473E465-K469 HydrophobicContact CG-CD 4.28Å; E465-K469 WeakPolarHBondContact O-CB 3.33Å; E465-K469 WeakPolarHBondContact O-CG 3.37Å; E465-K469 PolarHBondContact O-N 3.31Å; E465-K469 VanDerWaalsContact OE1-CE 3.25Å; E465-K469 WeakPolarHBondContact OE1-CE 3.4Å; E465-K469 IonicContact OE1-NZ 2.81Å; E465-K469 PolarHBondContact OE1-NZ 3.37Å; M466-K469 PolarHBondContact O-N 3.23Å; I467-K469 PolarHBondContact O-N 3.42Å; K469-N473 VanDerWaalsContact O-CB 3.3Å; K469-N473 WeakPolarHBondContact O-CB 3.39Å; K469-N473 VanDerWaalsContact O-CG 3.22Å; K469-N473 PolarHBondContact O-N 3.11Å; K469-N473 PolarHBondContact O-OD1 2.77Å
470Q53.8Low56Low125 Ų12597.4 Ų97.458%0.58449%0.486SS*.Hα-helixtrans-65.2-46.7175.3-75.6-71.1-2.200111.8M466 I467 Y474M466-Q470 HydrophobicContact CG-CG 4.48Å; M466-Q470 VanDerWaalsContact O-CB 3.31Å; M466-Q470 WeakPolarHBondContact O-CB 3.06Å; M466-Q470 VanDerWaalsContact O-CG 3.25Å; M466-Q470 WeakPolarHBondContact O-CG 3.01Å; M466-Q470 PolarHBondContact O-N 2.63Å; I467-Q470 PolarHBondContact O-N 3.26Å; Q470-Y474 WeakPolarHBondContact O-CB 3.4Å; Q470-Y474 PolarHBondContact O-N 3.38Å
471H58.6Low57.1Low101 Ų101100.2 Ų100.247%0.46850%0.499SS..Hα-helixtrans-67.1-38.9175.8-85.5-87.7000112.6I467 Y474 Y475I467-H471 WeakPolarHBondContact O-CB 3.07Å; I467-H471 PolarHBondContact O-CD2 2.65Å; I467-H471 PolarHBondContact O-N 2.85Å; H471-Y474 PolarHBondContact O-N 2.89Å; H471-Y475 WeakPolarHBondContact O-CD2 3.16Å; H471-Y475 PolarHBondContact O-N 3.33Å
472G52.9Low58.3Low29 Ų2999.9 Ų99.930%0.29950%0.499SS..Hα-helixtrans-57.6-57.2173.300000111.2S468 Y474 Y475 D476S468-G472 PolarHBondContact O-N 3.32Å; G472-Y474 VanDerWaalsContact C-N 3.26Å; G472-Y474 PolarHBondContact O-N 3.43Å; G472-Y475 PolarHBondContact O-N 3.09Å; G472-Y475 VanDerWaalsContact O-N 3.16Å; G472-D476 PolarHBondContact O-N 3.14Å
473N57.9Low59.3Low100 Ų10099.8 Ų99.854%0.53550%0.495SS..Hα-helixtrans-59.4-34176.7-69.90.6000112.6K469 N477K469-N473 VanDerWaalsContact O-CB 3.3Å; K469-N473 WeakPolarHBondContact O-CB 3.39Å; K469-N473 VanDerWaalsContact O-CG 3.22Å; K469-N473 PolarHBondContact O-N 3.11Å; K469-N473 PolarHBondContact O-OD1 2.77Å; N473-N477 WeakPolarHBondContact O-CB 3.42Å; N473-N477 PolarHBondContact O-N 3.4Å; N473-N477 PolarHBondContact O-ND2 2.88Å
474Y56.5Low60.4Low144 Ų14499.3 Ų99.357%0.56549%0.494SS*.Hα-helixtrans-67.6-43.9176.2-177-101.7000112.2Q470 H471 G472 I478Q470-Y474 WeakPolarHBondContact O-CB 3.4Å; Q470-Y474 PolarHBondContact O-N 3.38Å; H471-Y474 PolarHBondContact O-N 2.89Å; G472-Y474 VanDerWaalsContact C-N 3.26Å; G472-Y474 PolarHBondContact O-N 3.43Å; Y474-I478 HydrophobicContact CD1-CD1 3.89Å; Y474-I478 HydrophobicContact CE1-CD1 3.39Å; Y474-I478 HydrophobicContact CE2-CD1 4.26Å; Y474-I478 WeakPolarHBondContact O-CG1 3.26Å; Y474-I478 PolarHBondContact O-N 3.34Å
475Y52.4Low61.5Low155 Ų155100.8 Ų100.861%0.60849%0.494SS*.Hα-helixtrans-69.5-40.2175.9-76.4-60.7000112.5H471 G472 I478 R479H471-Y475 WeakPolarHBondContact O-CD2 3.16Å; H471-Y475 PolarHBondContact O-N 3.33Å; G472-Y475 PolarHBondContact O-N 3.09Å; G472-Y475 VanDerWaalsContact O-N 3.16Å; Y475-I478 PolarHBondContact O-N 3.43Å; Y475-R479 VanDerWaalsContact O-CB 3.3Å; Y475-R479 WeakPolarHBondContact O-CB 3.45Å; Y475-R479 PolarHBondContact O-N 3.48Å
476D61.7Low62.2Low84 Ų84100 Ų10045%0.44949%0.487SS..Hα-helixtrans-69.8-34.8174.8-82.9-46000112.1G472 R479 T480G472-D476 PolarHBondContact O-N 3.14Å; D476-R479 CarbonylContact O-C 3.58Å; D476-R479 WeakPolarHBondContact O-CB 3.3Å; D476-R479 PolarHBondContact O-N 2.92Å; D476-R479 IonicContact OD1-NH1 2.9Å; D476-T480 WeakPolarHBondContact O-CG2 3.24Å; D476-T480 PolarHBondContact O-N 2.68Å; D476-T480 PolarHBondContact O-OG1 2.86Å; D476-T480 VanDerWaalsContact O-OG1 3.13Å
477N68.2Low63.3Low105 Ų10597.6 Ų97.656%0.56148%0.478SS*.Hα-helixtrans-67.2-39.2172.2-76.4-15.1000112.5N473 R479 T480 H481N473-N477 WeakPolarHBondContact O-CB 3.42Å; N473-N477 PolarHBondContact O-N 3.4Å; N473-N477 PolarHBondContact O-ND2 2.88Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 3.29Å; N477-T480 WeakPolarHBondContact CA-OG1 3.43Å; N477-T480 PolarHBondContact O-OG1 3.45Å; N477-T480 VanDerWaalsContact O-OG1 3.14Å; N477-H481 WeakPolarHBondContact O-CB 3.42Å; N477-H481 PolarHBondContact O-N 2.97Å
478I68.7Low63.9Low75 Ų7598.4 Ų98.439%0.38548%0.482SS..Hα-helixtrans-62.8-40.5170.8-75173.2000110Y474 Y475 T482Y474-I478 HydrophobicContact CD1-CD1 3.89Å; Y474-I478 HydrophobicContact CE1-CD1 3.39Å; Y474-I478 HydrophobicContact CE2-CD1 4.26Å; Y474-I478 WeakPolarHBondContact O-CG1 3.26Å; Y474-I478 PolarHBondContact O-N 3.34Å; Y475-I478 PolarHBondContact O-N 3.43Å; I478-T482 VanDerWaalsContact O-CB 3.27Å; I478-T482 WeakPolarHBondContact O-CB 3.38Å; I478-T482 PolarHBondContact O-N 2.87Å; I478-T482 PolarHBondContact O-OG1 3.38Å
479R63.6Low64.9Low152 Ų15298.9 Ų98.957%0.57448%0.475SS*.Hα-helixtrans-66.9-45.7179.5-175.8176.4173.4-128.1-4.7112.2Y475 D476 N477 T482 I483Y475-R479 VanDerWaalsContact O-CB 3.3Å; Y475-R479 WeakPolarHBondContact O-CB 3.45Å; Y475-R479 PolarHBondContact O-N 3.48Å; D476-R479 CarbonylContact O-C 3.58Å; D476-R479 WeakPolarHBondContact O-CB 3.3Å; D476-R479 PolarHBondContact O-N 2.92Å; D476-R479 IonicContact OD1-NH1 2.9Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 3.29Å; R479-T482 PolarHBondContact O-N 3.28Å; R479-I483 HydrophobicContact CG-CD1 4.07Å; R479-I483 WeakPolarHBondContact O-CB 3.29Å; R479-I483 VanDerWaalsContact O-CG1 3.26Å; R479-I483 WeakPolarHBondContact O-CG1 3.48Å; R479-I483 PolarHBondContact O-N 2.95Å
480T70.3Confident65.4Low78 Ų7898.6 Ų98.648%0.47948%0.475SS..Hα-helixtrans-66-42.5175.253.80000111.1D476 N477 T482 I483 Q484D476-T480 WeakPolarHBondContact O-CG2 3.24Å; D476-T480 PolarHBondContact O-N 2.68Å; D476-T480 PolarHBondContact O-OG1 2.86Å; D476-T480 VanDerWaalsContact O-OG1 3.13Å; N477-T480 WeakPolarHBondContact CA-OG1 3.43Å; N477-T480 PolarHBondContact O-OG1 3.45Å; N477-T480 VanDerWaalsContact O-OG1 3.14Å; T480-T482 VanDerWaalsContact C-N 3.32Å; T480-T482 PolarHBondContact O-N 2.83Å; T480-I483 PolarHBondContact O-N 3.37Å; T480-Q484 VanDerWaalsContact O-CB 3.24Å; T480-Q484 WeakPolarHBondContact O-CB 3.28Å; T480-Q484 PolarHBondContact O-N 3.16Å
481H71.9Confident66.1Low118 Ų11897.7 Ų97.755%0.54647%0.474SS..Hα-helixtrans-67.2-31176.9-161.3-43.9000112.5N477 Q485N477-H481 WeakPolarHBondContact O-CB 3.42Å; N477-H481 PolarHBondContact O-N 2.97Å; H481-Q485 VanDerWaalsContact O-CB 3.24Å; H481-Q485 WeakPolarHBondContact O-CB 3.44Å; H481-Q485 PolarHBondContact O-N 3.31Å
482T68.5Low66.5Low70 Ų7097.4 Ų97.443%0.42948%0.475SS..Hα-helixtrans-71.6-39.6172.6-56.50000111.4I478 R479 T480 R486I478-T482 VanDerWaalsContact O-CB 3.27Å; I478-T482 WeakPolarHBondContact O-CB 3.38Å; I478-T482 PolarHBondContact O-N 2.87Å; I478-T482 PolarHBondContact O-OG1 3.38Å; R479-T482 PolarHBondContact O-N 3.28Å; T480-T482 VanDerWaalsContact C-N 3.32Å; T480-T482 PolarHBondContact O-N 2.83Å; T482-R486 WeakPolarHBondContact O-CB 3.27Å; T482-R486 PolarHBondContact O-N 3.3Å
483I74.4Confident67.1Low79 Ų79101 Ų10141%0.40549%0.488SS..Hα-helixtrans-66.1-43.8173.6-70.2164.5000110.2R479 T480 R486 T487R479-I483 HydrophobicContact CG-CD1 4.07Å; R479-I483 WeakPolarHBondContact O-CB 3.29Å; R479-I483 VanDerWaalsContact O-CG1 3.26Å; R479-I483 WeakPolarHBondContact O-CG1 3.48Å; R479-I483 PolarHBondContact O-N 2.95Å; T480-I483 PolarHBondContact O-N 3.37Å; I483-R486 CarbonylContact O-C 3.43Å; I483-R486 PolarHBondContact O-N 3.4Å; I483-T487 HydrophobicContact CG2-CG2 4.47Å; I483-T487 WeakPolarHBondContact O-CG2 3.48Å; I483-T487 PolarHBondContact O-N 2.98Å; I483-T487 PolarHBondContact O-OG1 3.27Å
484Q71.5Confident67.6Low116 Ų116102.5 Ų102.554%0.54249%0.491SS..Hα-helixtrans-69.4-35.7-179.9-170.7173.26.700112.2T480 T487 M488T480-Q484 VanDerWaalsContact O-CB 3.24Å; T480-Q484 WeakPolarHBondContact O-CB 3.28Å; T480-Q484 PolarHBondContact O-N 3.16Å; Q484-T487 WeakPolarHBondContact CA-OG1 3.25Å; Q484-T487 PolarHBondContact O-OG1 3.08Å; Q484-M488 WeakPolarHBondContact O-CG 3.35Å; Q484-M488 PolarHBondContact O-N 3.43Å
485Q70.5Confident68Low93 Ų9398.8 Ų98.844%0.43549%0.486SS..Hα-helixtrans-64-44.1168.8-179.6173.6-14.500110.6H481 T487 M488 E489H481-Q485 VanDerWaalsContact O-CB 3.24Å; H481-Q485 WeakPolarHBondContact O-CB 3.44Å; H481-Q485 PolarHBondContact O-N 3.31Å; Q485-T487 PolarHBondContact O-N 3.37Å; Q485-M488 PolarHBondContact O-N 3.01Å; Q485-E489 HydrophobicContact CG-CG 4.44Å; Q485-E489 WeakPolarHBondContact CG-OE1 3.4Å; Q485-E489 PolarHBondContact NE2-OE1 3.49Å; Q485-E489 WeakPolarHBondContact O-CG 3.23Å; Q485-E489 PolarHBondContact O-N 2.96Å
486R69.1Low68.2Low90 Ų9095.5 Ų95.534%0.3448%0.479SS..Hα-helixtrans-63.9-39.8176.2-170.4179.6-63.8-165.91.4112.4T482 I483 M488 E489 E490 S648T482-R486 WeakPolarHBondContact O-CB 3.27Å; T482-R486 PolarHBondContact O-N 3.3Å; I483-R486 CarbonylContact O-C 3.43Å; I483-R486 PolarHBondContact O-N 3.4Å; R486-M488 VanDerWaalsContact C-N 3.3Å; R486-M488 PolarHBondContact O-N 3.32Å; R486-E489 PolarHBondContact O-N 2.98Å; R486-E490 VanDerWaalsContact CD-OE1 3.28Å; R486-E490 WeakPolarHBondContact CD-OE1 3.39Å; R486-E490 HydrophobicContact CG-CG 4.22Å; R486-E490 VanDerWaalsContact CG-OE1 3.32Å; R486-E490 WeakPolarHBondContact CG-OE1 3.4Å; R486-E490 VanDerWaalsContact O-CB 3.31Å; R486-E490 WeakPolarHBondContact O-CB 3.32Å; R486-E490 VanDerWaalsContact O-CG 3.3Å; R486-E490 WeakPolarHBondContact O-CG 3.11Å; R486-E490 PolarHBondContact O-N 2.91Å; R486-S648 PolarHBondContact NH1-OG 3.41Å
487T72.7Confident68Low57 Ų5795.8 Ų95.835%0.3548%0.481SS..Hα-helixtrans-68.6-30.3175.458.30000111.9I483 Q484 Q485 D491I483-T487 HydrophobicContact CG2-CG2 4.47Å; I483-T487 WeakPolarHBondContact O-CG2 3.48Å; I483-T487 PolarHBondContact O-N 2.98Å; I483-T487 PolarHBondContact O-OG1 3.27Å; Q484-T487 WeakPolarHBondContact CA-OG1 3.25Å; Q484-T487 PolarHBondContact O-OG1 3.08Å; Q485-T487 PolarHBondContact O-N 3.37Å; T487-D491 WeakPolarHBondContact O-CB 3.26Å; T487-D491 PolarHBondContact O-N 2.81Å
488M68.3Low67.5Low92 Ų9295.1 Ų95.145%0.45348%0.481SS..Hα-helixtrans-71.8-36.9170.5-73-175.1-58.600112.5Q484 Q485 R486 I492Q484-M488 WeakPolarHBondContact O-CG 3.35Å; Q484-M488 PolarHBondContact O-N 3.43Å; Q485-M488 PolarHBondContact O-N 3.01Å; R486-M488 VanDerWaalsContact C-N 3.3Å; R486-M488 PolarHBondContact O-N 3.32Å; M488-I492 VanDerWaalsContact O-CB 3.23Å; M488-I492 WeakPolarHBondContact O-CB 3.07Å; M488-I492 WeakPolarHBondContact O-CD1 3.24Å; M488-I492 WeakPolarHBondContact O-CG1 3.22Å; M488-I492 PolarHBondContact O-N 3.34Å
489E70.1Confident66.6Low96 Ų9695.9 Ų95.945%0.44949%0.485SS..Hα-helixtrans-66.5-43.4172.9-73.3166.5-177.300110.4Q485 R486 I492 D493Q485-E489 HydrophobicContact CG-CG 4.44Å; Q485-E489 WeakPolarHBondContact CG-OE1 3.4Å; Q485-E489 PolarHBondContact NE2-OE1 3.49Å; Q485-E489 WeakPolarHBondContact O-CG 3.23Å; Q485-E489 PolarHBondContact O-N 2.96Å; R486-E489 PolarHBondContact O-N 2.98Å; E489-I492 PolarHBondContact O-N 3.12Å; E489-D493 WeakPolarHBondContact O-CB 3.24Å; E489-D493 PolarHBondContact O-N 3.3Å
490E71.7Confident65.7Low112 Ų11296.5 Ų96.552%0.52349%0.488SS..Hα-helixtrans-64.3-42.8172.6-72.6168.7-172.700111.6R486 D493 Q494R486-E490 VanDerWaalsContact CD-OE1 3.28Å; R486-E490 WeakPolarHBondContact CD-OE1 3.39Å; R486-E490 HydrophobicContact CG-CG 4.22Å; R486-E490 VanDerWaalsContact CG-OE1 3.32Å; R486-E490 WeakPolarHBondContact CG-OE1 3.4Å; R486-E490 VanDerWaalsContact O-CB 3.31Å; R486-E490 WeakPolarHBondContact O-CB 3.32Å; R486-E490 VanDerWaalsContact O-CG 3.3Å; R486-E490 WeakPolarHBondContact O-CG 3.11Å; R486-E490 PolarHBondContact O-N 2.91Å; E490-D493 PolarHBondContact O-N 2.79Å; E490-Q494 WeakPolarHBondContact O-CB 3.35Å; E490-Q494 PolarHBondContact O-N 3.12Å
491D68.6Low64.6Low105 Ų10596.5 Ų96.556%0.56149%0.486SS*.Hα-helixtrans-66.6-34.9175.2-80.4-30000112.1T487 S495T487-D491 WeakPolarHBondContact O-CB 3.26Å; T487-D491 PolarHBondContact O-N 2.81Å; D491-S495 WeakPolarHBondContact O-CB 3.42Å; D491-S495 PolarHBondContact O-N 3.01Å; D491-S495 PolarHBondContact O-OG 3.03Å
492I67.8Low63.3Low95 Ų9594 Ų9449%0.48748%0.481SS..Hα-helixtrans-72-44.3175.5-75166.2000110.3M488 E489 S495 N496M488-I492 VanDerWaalsContact O-CB 3.23Å; M488-I492 WeakPolarHBondContact O-CB 3.07Å; M488-I492 WeakPolarHBondContact O-CD1 3.24Å; M488-I492 WeakPolarHBondContact O-CG1 3.22Å; M488-I492 PolarHBondContact O-N 3.34Å; E489-I492 PolarHBondContact O-N 3.12Å; I492-S495 CarbonylContact O-C 3.39Å; I492-S495 PolarHBondContact O-N 3.46Å; I492-N496 WeakPolarHBondContact CG2-ND2 3.06Å; I492-N496 VanDerWaalsContact O-CB 3.24Å; I492-N496 WeakPolarHBondContact O-CB 3.06Å; I492-N496 PolarHBondContact O-N 3.36Å; I492-N496 PolarHBondContact O-ND2 2.88Å; I492-N496 VanDerWaalsContact O-ND2 3.16Å
493D64.5Low62Low106 Ų10696.6 Ų96.657%0.56749%0.49SS*.Hα-helixtrans-68.4-36.7176.1-78.1-11.5000111.2E489 E490 N496 D497E489-D493 WeakPolarHBondContact O-CB 3.24Å; E489-D493 PolarHBondContact O-N 3.3Å; E490-D493 PolarHBondContact O-N 2.79Å; D493-N496 PolarHBondContact O-N 3.3Å; D493-D497 WeakPolarHBondContact O-CB 3.4Å; D493-D497 PolarHBondContact O-N 3.05Å
494Q68.2Low60.3Low130 Ų13097.3 Ų97.361%0.60749%0.494SS*.Hα-helixtrans-68.8-36.6172.7-159.1102106.800111.4E490 V498E490-Q494 WeakPolarHBondContact O-CB 3.35Å; E490-Q494 PolarHBondContact O-N 3.12Å; Q494-V498 VanDerWaalsContact O-CB 3.29Å; Q494-V498 WeakPolarHBondContact O-CB 3.39Å; Q494-V498 WeakPolarHBondContact O-CG2 3.49Å; Q494-V498 PolarHBondContact O-N 3.49Å
495S64.5Low58.6Low66 Ų6698 Ų9846%0.46250%0.501SS..Hα-helixtrans-70.8-37173.2-64.10000112D491 I492 V498 L499D491-S495 WeakPolarHBondContact O-CB 3.42Å; D491-S495 PolarHBondContact O-N 3.01Å; D491-S495 PolarHBondContact O-OG 3.03Å; I492-S495 CarbonylContact O-C 3.39Å; I492-S495 PolarHBondContact O-N 3.46Å; S495-V498 PolarHBondContact O-N 3.06Å; S495-L499 VanDerWaalsContact O-CB 3.28Å; S495-L499 WeakPolarHBondContact O-CB 3.3Å; S495-L499 VanDerWaalsContact O-CG 3.24Å; S495-L499 WeakPolarHBondContact O-CG 3.39Å; S495-L499 PolarHBondContact O-N 2.93Å
496N56.7Low56.7Low86 Ų8697.6 Ų97.646%0.4651%0.508SS..Hα-helixtrans-68.5-42.4173.6-76.6-32.9000110.6I492 D493 L499 Y500I492-N496 WeakPolarHBondContact CG2-ND2 3.06Å; I492-N496 VanDerWaalsContact O-CB 3.24Å; I492-N496 WeakPolarHBondContact O-CB 3.06Å; I492-N496 PolarHBondContact O-N 3.36Å; I492-N496 PolarHBondContact O-ND2 2.88Å; I492-N496 VanDerWaalsContact O-ND2 3.16Å; D493-N496 PolarHBondContact O-N 3.3Å; N496-L499 CarbonylContact O-C 3.46Å; N496-L499 PolarHBondContact O-N 2.79Å; N496-Y500 WeakPolarHBondContact O-CB 3.48Å; N496-Y500 PolarHBondContact O-N 3.01Å
497D57.5Low54.7Low90 Ų90101.8 Ų101.848%0.48153%0.525SS..Hα-helixtrans-64.8-38.5171.9-98-13.9000111D493 N501D493-D497 WeakPolarHBondContact O-CB 3.4Å; D493-D497 PolarHBondContact O-N 3.05Å; D497-N501 WeakPolarHBondContact O-CA 3.42Å; D497-N501 WeakPolarHBondContact O-CB 3.38Å; D497-N501 PolarHBondContact O-N 3.42Å; D497-N501 PolarHBondContact O-ND2 3.21Å
498V58Low52.7Low92 Ų92107.4 Ų107.456%0.55855%0.545SS*.Hα-helixtrans-68.7-34.5174.3166.40000111.3Q494 S495 S502Q494-V498 VanDerWaalsContact O-CB 3.29Å; Q494-V498 WeakPolarHBondContact O-CB 3.39Å; Q494-V498 WeakPolarHBondContact O-CG2 3.49Å; Q494-V498 PolarHBondContact O-N 3.49Å; S495-V498 PolarHBondContact O-N 3.06Å; V498-S502 WeakPolarHBondContact O-CA 3.34Å; V498-S502 WeakPolarHBondContact O-CB 3.36Å; V498-S502 PolarHBondContact O-N 2.99Å; V498-S502 PolarHBondContact O-OG 3.23Å
499L49.6Very low50.8Low90 Ų90109.4 Ų109.447%0.47156%0.558SS.*Hα-helixtrans-73.9-39.5174.2-77.1169.6000112.2S495 N496 S502 M503S495-L499 VanDerWaalsContact O-CB 3.28Å; S495-L499 WeakPolarHBondContact O-CB 3.3Å; S495-L499 VanDerWaalsContact O-CG 3.24Å; S495-L499 WeakPolarHBondContact O-CG 3.39Å; S495-L499 PolarHBondContact O-N 2.93Å; N496-L499 CarbonylContact O-C 3.46Å; N496-L499 PolarHBondContact O-N 2.79Å; L499-S502 WeakPolarHBondContact CA-OG 3.44Å; L499-S502 PolarHBondContact O-OG 3.3Å; L499-M503 HydrophobicContact CB-CE 3.96Å; L499-M503 VanDerWaalsContact O-CB 3.26Å; L499-M503 WeakPolarHBondContact O-CB 3.45Å; L499-M503 WeakPolarHBondContact O-CE 3.37Å; L499-M503 VanDerWaalsContact O-CG 3.31Å; L499-M503 WeakPolarHBondContact O-CG 2.76Å; L499-M503 PolarHBondContact O-N 3.45Å
500Y45.1Very low49Very low165 Ų165112.4 Ų112.465%0.64757%0.572SS**Hα-helixtrans-74.7-39.1179.7-157.9-95.2000110.7N496 N504N496-Y500 WeakPolarHBondContact O-CB 3.48Å; N496-Y500 PolarHBondContact O-N 3.01Å; Y500-N504 WeakPolarHBondContact CD1-ND2 3.07Å; Y500-N504 WeakPolarHBondContact O-CB 3.24Å; Y500-N504 PolarHBondContact O-N 3.32Å; Y500-N504 PolarHBondContact O-ND2 2.97Å
501N47.2Very low46.9Very low79 Ų79111.2 Ų111.242%0.42258%0.576SS.*Hα-helixtrans-71.5-38.2169.6-72.5-70.7000111.7D497 N504 L505D497-N501 WeakPolarHBondContact O-CA 3.42Å; D497-N501 WeakPolarHBondContact O-CB 3.38Å; D497-N501 PolarHBondContact O-N 3.42Å; D497-N501 PolarHBondContact O-ND2 3.21Å; N501-N504 CarbonylContact O-C 3.42Å; N501-N504 PolarHBondContact O-N 3.4Å; N501-L505 HydrophobicContact CB-CD1 4.4Å; N501-L505 VanDerWaalsContact O-CB 3.23Å; N501-L505 WeakPolarHBondContact O-CB 3.43Å; N501-L505 VanDerWaalsContact O-CD1 3.27Å; N501-L505 WeakPolarHBondContact O-CD1 3.43Å; N501-L505 PolarHBondContact O-N 2.82Å
502S45.2Very low44.9Very low64 Ų64113.4 Ų113.445%0.44859%0.587SS.*Hα-helixtrans-71.4-30.8176.257.70000113.4V498 L499 S506V498-S502 WeakPolarHBondContact O-CA 3.34Å; V498-S502 WeakPolarHBondContact O-CB 3.36Å; V498-S502 PolarHBondContact O-N 2.99Å; V498-S502 PolarHBondContact O-OG 3.23Å; L499-S502 WeakPolarHBondContact CA-OG 3.44Å; L499-S502 PolarHBondContact O-OG 3.3Å; S502-S506 PolarHBondContact O-N 2.94Å; S502-S506 VanDerWaalsContact O-N 3.14Å
503M40.4Very low43.1Very low125 Ų125114.1 Ų114.162%0.61660%0.601SS**Hα-helixtrans-73.4-26.6169.1-73.8-173.8-98.500113.4L499 S506L499-M503 HydrophobicContact CB-CE 3.96Å; L499-M503 VanDerWaalsContact O-CB 3.26Å; L499-M503 WeakPolarHBondContact O-CB 3.45Å; L499-M503 WeakPolarHBondContact O-CE 3.37Å; L499-M503 VanDerWaalsContact O-CG 3.31Å; L499-M503 WeakPolarHBondContact O-CG 2.76Å; L499-M503 PolarHBondContact O-N 3.45Å; M503-S506 PolarHBondContact O-OG 2.62Å
504N39.4Very low41.5Very low94 Ų94118.5 Ų118.550%0.50362%0.615SS.*Hα-helixtrans-88.2-27.8173.2-78.8-76.4000113.9Y500 N501Y500-N504 WeakPolarHBondContact CD1-ND2 3.07Å; Y500-N504 WeakPolarHBondContact O-CB 3.24Å; Y500-N504 PolarHBondContact O-N 3.32Å; Y500-N504 PolarHBondContact O-ND2 2.97Å; N501-N504 CarbonylContact O-C 3.42Å; N501-N504 PolarHBondContact O-N 3.4Å
505L35.8Very low39.9Very low132 Ų132117.2 Ų117.269%0.69162%0.618SS**Hα-helixtrans-84-8.1174.4-87.962.8000112.7N501 Y507N501-L505 HydrophobicContact CB-CD1 4.4Å; N501-L505 VanDerWaalsContact O-CB 3.23Å; N501-L505 WeakPolarHBondContact O-CB 3.43Å; N501-L505 VanDerWaalsContact O-CD1 3.27Å; N501-L505 WeakPolarHBondContact O-CD1 3.43Å; N501-L505 PolarHBondContact O-N 2.82Å; L505-Y507 PolarHBondContact O-N 3.42Å
506S30.3Very low38.2Very low83 Ų83120.3 Ų120.358%0.5863%0.63SS**THydrogen-bonded Turntrans-70.6-2.3166.769.20000113.1S502 M503S502-S506 PolarHBondContact O-N 2.94Å; S502-S506 VanDerWaalsContact O-N 3.14Å; M503-S506 PolarHBondContact O-OG 2.62Å
507Y27.9Very low36.8Very low178 Ų178122.9 Ų122.970%0.69864%0.642SS**SBendtrans-127.4123.5173.9-89.4-90.2000112.1L505L505-Y507 PolarHBondContact O-N 3.42Å
508F29Very low35.4Very low175 Ų175123.6 Ų123.677%0.76865%0.65SS**  trans77.2136.2175.2-71.4-90.4000119.4
509N29.5Very low34.1Very low135 Ų135125 Ų12572%0.72266%0.659SS**  trans80.3125.4169.8-45.9-38000117.2
510H31.3Very low33.4Very low159 Ų159127.5 Ų127.574%0.73667%0.673SS**  cis-157.6164.6-22.5-129.3-61.3000111.7
511S27.6Very low33Very low86 Ų86126.5 Ų126.560%0.60168%0.678SS**  trans-36.7149.2167.4-29.20000114.8
512D28.2Very low32.2Very low151 Ų151126.5 Ų126.581%0.80768%0.684SS**  -168.4176.767.8-107-28.9000115.2
513S29.7Very low31.9Very low111 Ų111131.9 Ų131.978%0.77670%0.7SS**  trans78.171.9162.9-56.70000120.1
514F30.8Very low31.4Very low198 Ų198132.2 Ų132.287%0.86870%0.703SS**  trans-23.9157.9136.7-85-83000116.3
515P34Very low30.8Very low103 Ų103136.7 Ų136.767%0.66972%0.718SS**  -154.4168.15144.4-24000121.6
516N28Very low30.3Very low131 Ų131135.6 Ų135.670%0.70172%0.716SS**  trans74.4141.1148-69.8-13.1000120.7
517L28Very low30Very low139 Ų139139.8 Ų139.873%0.72873%0.725SS**  cis-164.9175.8-22.7-156.256.7000110.3
518T27.5Very low29.8Very low106 Ų106137.5 Ų137.565%0.6573%0.729SS**  trans69.2104.2157.457.30000120.1
519T32.4Very low29.7Very low121 Ų121137.9 Ų137.974%0.74273%0.73SS**  73.6140.3129.854.30000120.8
520D33.9Very low29.6Very low142 Ų142137.4 Ų137.476%0.75974%0.735SS**  cis-136.5136.52.4-138-15000115.9
521L36Very low29.4Very low144 Ų144134.1 Ų134.175%0.75473%0.73SS**  trans-94.4109.7176.6-125.174000108.1I524L521-I524 HydrophobicContact CD2-CD1 3.82Å
522S31.5Very low29.4Very low79 Ų79137.9 Ų137.955%0.55274%0.743SS**  trans-12475.7178.7176.70000112.9
523K37.8Very low29.3Very low177 Ų177134.3 Ų134.377%0.7774%0.742SS**  trans64.8110.7165.8-48.4113.8-160.6160.80113.4
524I30.1Very low29.2Very low132 Ų132136.8 Ų136.868%0.67775%0.746SS**  cis45.789.638.8-48.3178.6000111.7L521L521-I524 HydrophobicContact CD2-CD1 3.82Å
525K27.6Very low28.9Very low188 Ų188133.9 Ų133.982%0.81774%0.738SS**  trans-170.4130130.4-109.2-177.9178.5-175.70114.7
526T25.7Very low28.5Very low109 Ų109137.1 Ų137.167%0.66974%0.744SS**  trans60.8104.9140.654.60000122.1
527F23.7Very low28.2Very low172 Ų172139.6 Ų139.675%0.75475%0.745SS**  77.1140.5116.3-92.7-89.1000122.6
528V24.3Very low28Very low130 Ų130137.6 Ų137.679%0.78874%0.743SS**  trans79.2134.4165.5-174.10000117.8
529K26.2Very low27.8Very low182 Ų182138.8 Ų138.879%0.79175%0.75SS**  trans-57.4127.1-179.8175.9-174.5-177.7-176.10113.8
530P26.9Very low27.4Very low126 Ų126138.1 Ų138.182%0.81875%0.75SS**  trans-86.1148156.534.4-30.8000110.9
531S27.4Very low27Very low90 Ų90137.7 Ų137.763%0.62975%0.748SS**  trans-118.6148.9169.449.60000109.8
532D26.8Very low26.7Very low164 Ų164137.5 Ų137.588%0.87775%0.748SS**SBendtrans56.5129.7164-51.5-43.4000119.8
533G28Very low26.7Very low77 Ų77140.5 Ų140.579%0.79476%0.758SS**  trans106.4107.4154.800000116.8
534L25.7Very low26.2Very low163 Ų163138.4 Ų138.485%0.85376%0.755SS**  trans-126.596137.1-161.484.5000109.2
535L24.7Very low26Very low136 Ų136139.6 Ų139.671%0.71276%0.762SS**  trans-70.7132.7159.9-83.3163.7000108.6Y537L535-Y537 HydrophobicContact CD2-CE2 4.32Å
536H25.8Very low25.9Very low172 Ų172135.7 Ų135.780%0.79675%0.754SS**  trans-145.691.3151.8-117.7-68.7000112.3
537Y23.2Very low25.8Very low183 Ų183137.1 Ų137.172%0.71876%0.757SS**  trans-28.5137.2138.9-72.2-87.4000111.8L535L535-Y537 HydrophobicContact CD2-CE2 4.32Å
538S22.2Very low25.8Very low97 Ų97137.7 Ų137.768%0.67876%0.76SS**  cis-151.6174.910.1-73.40000108.5
539T23.5Very low26Very low131 Ų131136 Ų13680%0.80476%0.759SS**  cis-163147.745.746.70000115.3
540S24Very low25.9Very low107 Ų107134 Ų13475%0.74876%0.756SS**  trans69.180.8155.6-160.90000117.5
541N25.9Very low25.8Very low132 Ų132136.7 Ų136.771%0.70675%0.75SS**  83.478.495.5-9168.4000116.4
542D30Very low25.7Very low140 Ų140137.5 Ų137.575%0.74976%0.756SS**  59.492.6121.3-53.3-1.9000119.3
543N30.6Very low25.7Very low142 Ų142138.1 Ų138.176%0.75976%0.759SS**  trans-118.1126.3153.1-78.7-69.6000108.2
544N27.2Very low25.6Very low133 Ų133139.2 Ų139.271%0.71175%0.754SS**  56.1101.978-69.7-48000113.3
545L27Very low25.6Very low158 Ų158138.7 Ų138.783%0.82775%0.752SS**  -169117.7113.3-120.574.8000113.3
546T25.5Very low25.6Very low105 Ų105139.7 Ų139.764%0.64476%0.757SS**  trans25.4134.3133.464.30000123.1
547N24.2Very low25.7Very low139 Ų139140.3 Ų140.374%0.74376%0.758SS**  trans71.3126.6131.6-66.4-19.1000123.2
548F23Very low26Very low185 Ų185137.2 Ų137.281%0.81176%0.758SS**  trans59.184.5137.4-82.6-95.5000121.7I550F548-I550 HydrophobicContact CD1-CD1 4.45Å
549A28.2Very low26.1Very low94 Ų94140 Ų14078%0.77776%0.763SS**  trans-161.5139.413700000107.8
550I24.5Very low26.2Very low139 Ų139139.8 Ų139.871%0.71376%0.757SS**  cis70.161.717.4-38.8-177.3000115.1F548F548-I550 HydrophobicContact CD1-CD1 4.45Å
551R23.9Very low26.3Very low183 Ų183139.3 Ų139.369%0.69175%0.753SS**  -178.8156.8115.5-102.4171175-147.1-5.7114.4
552S25.2Very low26.3Very low108 Ų108138 Ų13876%0.75575%0.745SS**  trans47.4105.1153.955.30000119.3
553N27.4Very low26.1Very low177 Ų177135.2 Ų135.295%0.94773%0.73SS**  -140.5144.3127.9-106.4-29.9000109.5
554S26.1Very low25.9Very low99 Ų99130.8 Ų130.869%0.69271%0.707SS**  trans-108.1136.6-179.751.50000110.6
555N26.1Very low25.9Very low153 Ų153128.9 Ų128.982%0.81870%0.699SS**  trans57.492.7168.3-55.4-14.1000116.5
556L25Very low25.9Very low156 Ų156124.3 Ų124.382%0.81769%0.691SS**  trans-161.8172.1137.3-134.171.9000112.4
557F28.1Very low26.2Very low186 Ų186124.9 Ų124.982%0.81670%0.696SS**  trans84.759.2177.1-64.4-71.2000118.9
558T28.9Very low26.2Very low117 Ų117124.9 Ų124.972%0.71870%0.695SS**  trans-74.5128.7132.8-46.70000109.5
559M24Very low26.3Very low157 Ų157122.8 Ų122.877%0.77369%0.691SS**  trans-170.4106.5147.7-93.8-58.5159.200105.4
560N26.2Very low26.1Very low126 Ų126124.1 Ų124.167%0.67469%0.685SS**  57.3119.491.2-72.4-19.2000114.4
561S25.9Very low26.2Very low96 Ų96122.4 Ų122.467%0.67168%0.682SS**  -171.6125.5112.4-85.80000113.5
562I24.9Very low26.3Very low106 Ų106118.4 Ų118.454%0.54468%0.677SS.*  50.4136.6116.3-58.7167.3000117.1N772I562-N772 PolarHBondContact O-ND2 2.91Å
563N26Very low26.4Very low81 Ų81119.1 Ų119.143%0.43367%0.673SS.*  cis176.2159.4-15.6-93.3-18.8000105.8N772N563-N772 PolarHBondContact N-ND2 3.4Å; N563-N772 VanDerWaalsContact N-ND2 3.13Å; N563-N772 CarbonylContact O-C 3.58Å; N563-N772 WeakPolarHBondContact O-CB 3.34Å; N563-N772 PolarHBondContact O-N 3.23Å; N563-N772 PolarHBondContact O-ND2 3.08Å
564N26.8Very low26.4Very low49 Ų49114.3 Ų114.326%0.26265%0.653SS.*  156.5133.9119.8-77.7-44.5000114.7F771 N772 T773N564-F771 HydrophobicContact CB-CD1 3.73Å; N564-F771 HydrophobicContact CB-CD2 3.95Å; N564-F771 HydrophobicContact CB-CE1 3.68Å; N564-F771 HydrophobicContact CB-CE2 3.91Å; N564-F771 HydrophobicContact CB-CG 3.89Å; N564-F771 HydrophobicContact CB-CZ 3.78Å; N564-F771 VanDerWaalsContact CG-CE2 3.44Å; N564-F771 WeakPolarHBondContact ND2-CD2 3.31Å; N564-F771 WeakPolarHBondContact ND2-CE2 3.34Å; N564-N772 WeakPolarHBondContact CB-O 3.21Å; N564-N772 PolarHBondContact N-O 2.68Å; N564-N772 VanDerWaalsContact O-O 3.1Å; N564-T773 WeakPolarHBondContact O-CA 3.46Å; N564-T773 WeakPolarHBondContact O-CB 3.45Å; N564-T773 WeakPolarHBondContact O-CG2 3.46Å; N564-T773 PolarHBondContact O-OG1 3.13Å
565V26.5Very low26.4Very low92 Ų92113.1 Ų113.156%0.55864%0.644SS**  37121.6126-172.50000116.5F771V565-F771 HydrophobicContact CB-CE1 3.87Å; V565-F771 HydrophobicContact CB-CZ 4.33Å; V565-F771 HydrophobicContact CG1-CE1 4.24Å; V565-F771 HydrophobicContact CG2-CE1 4.45Å; V565-F771 HydrophobicContact CG2-CZ 4.43Å
566G27Very low26.6Very low63 Ų63108 Ų10865%0.64962%0.619SS**  cis85.1172.227.900000112.2
567P33.4Very low26.9Very low116 Ų116105.5 Ų105.575%0.75361%0.606SS**  cis-111.6-122.8-26.837.4-19.9000109.3
568I24.1Very low27.1Very low139 Ų13999.9 Ų99.971%0.71359%0.587SS**  trans74.9103.4172.7-60172000112.5
569L24.4Very low27Very low142 Ų14298.6 Ų98.674%0.74358%0.576SS**  64136.990.6-86.575.9000112.3
570D24.8Very low27.3Very low121 Ų12198.8 Ų98.865%0.64758%0.575SS**  cis-162.816919.2-142.6-18.7000112.7
571T26.3Very low27.3Very low104 Ų10498.1 Ų98.164%0.63857%0.57SS**  trans54.9138.9152.257.50000120.6
572T26.1Very low27.2Very low98 Ų98103.4 Ų103.460%0.60158%0.576SS**  cis-171.1152.712.49.80000113.3
573N25.7Very low27.2Very low124 Ų124105 Ų10566%0.66358%0.582SS**  trans64.3123.1136-63.7-13.3000124.7
574S27.3Very low27.1Very low76 Ų76108 Ų10853%0.53160%0.597SS.*  trans66148.9138.365.80000117.9
575S26.4Very low27Very low73 Ų73109.8 Ų109.851%0.5161%0.613SS.*  cis-133.6-168.623.1-75.70000110.6S1368 L1369S575-S1368 WeakPolarHBondContact O-CA 3.41Å; S575-S1368 WeakPolarHBondContact O-CB 3.45Å; S575-S1368 PolarHBondContact O-N 3.32Å; S575-L1369 VanDerWaalsContact O-CD1 3.22Å; S575-L1369 WeakPolarHBondContact O-CD1 3.43Å
576V30.8Very low26.9Very low46 Ų46111.9 Ų111.928%0.27962%0.621SS.*  cis157.150.413.3-200000111.5N1365 H1366V576-N1365 WeakPolarHBondContact O-CA 3.39Å; V576-N1365 VanDerWaalsContact O-CB 3.26Å; V576-N1365 WeakPolarHBondContact O-CB 3.23Å; V576-H1366 HydrophobicContact CB-CB 4.49Å; V576-H1366 HydrophobicContact CG1-CB 4.23Å
577D30.5Very low26.7Very low103 Ų103116.8 Ų116.855%0.55163%0.627SS**  trans-121.6-119.6-148.2-177.176.7000117N1365 H1366 Q1367D577-N1365 CarbonylContact O-C 3.6Å; D577-N1365 WeakPolarHBondContact O-CA 3.07Å; D577-N1365 PolarHBondContact O-N 2.82Å; D577-N1365 VanDerWaalsContact O-N 3.12Å; D577-H1366 VanDerWaalsContact C-N 3.35Å; D577-H1366 PolarHBondContact O-N 2.88Å; D577-Q1367 HydrophobicContact CB-CB 3.96Å; D577-Q1367 HydrophobicContact CB-CG 3.76Å
578T32.2Very low26.3Very low68 Ų68120.4 Ų120.442%0.41763%0.631SS.*  trans59.1163.4178.941.40000117.3H1366 Q1367T578-H1366 WeakPolarHBondContact CB-O 3.34Å; T578-H1366 WeakPolarHBondContact CG2-O 3.04Å; T578-H1366 VanDerWaalsContact OG1-CA 3.25Å; T578-H1366 WeakPolarHBondContact OG1-CA 3.33Å; T578-H1366 PolarHBondContact OG1-N 3.38Å; T578-H1366 PolarHBondContact OG1-O 3.39Å; T578-Q1367 HydrophobicContact CG2-CB 4.2Å
579D27.5Very low26.3Very low90 Ų90117.7 Ų117.748%0.48163%0.625SS.*  cis-159164.440.5-155.614.6000118.9I581D579-I581 WeakPolarHBondContact OD1-CD1 3.18Å
580Q30.7Very low26.3Very low162 Ų162117 Ų11776%0.75762%0.622SS**  trans79.4136.7159.5-80.6156.173.800120.2
581I26.1Very low26.3Very low111 Ų111117.9 Ų117.957%0.56963%0.627SS**  cis164.2159.1-32.7-99.9165.5000106.1D579D579-I581 WeakPolarHBondContact OD1-CD1 3.18Å
582R24.8Very low26.2Very low208 Ų208120 Ų12079%0.78563%0.629SS**  trans73145.3174.9-74150.2-143.9-77.2-2.3114.6
583M23.3Very low26.1Very low140 Ų140121.2 Ų121.269%0.6963%0.632SS**  cis167.4171.3-24.1-112.4169.471.900104.6
584I25.4Very low25.9Very low143 Ų143119.8 Ų119.873%0.73363%0.628SS**  trans72.2102.5169.7-58128.7000110.8
585S23.5Very low25.7Very low87 Ų87125.1 Ų125.161%0.60864%0.642SS**  86.4126.558.9-91.20000112.9
586D24.1Very low25.6Very low136 Ų136125.3 Ų125.373%0.72764%0.643SS**  trans68.3160.9130-52.9-36.6000120.6
587E24.2Very low25.3Very low166 Ų166134.5 Ų134.578%0.77667%0.673SS**  trans69100.4149.4-79.4173-165.800121
588F24.2Very low25Very low191 Ų191133 Ų13384%0.83868%0.681SS**  62.6149.6106.9-92.1-98.2000120.6
589S23.9Very low24.8Very low82 Ų82135.4 Ų135.457%0.57370%0.701SS**  trans71.7126.7142.5-720000120.7
590N24.6Very low24.7Very low127 Ų127136.4 Ų136.468%0.67972%0.715SS**  41.3110.9118.9-39.5-32000116.1
591N25Very low24.6Very low140 Ų140134.7 Ų134.775%0.74972%0.716SS**  -167.2150.759.3-80.5-76.1000108.7
592H24.5Very low24.8Very low149 Ų149137.9 Ų137.969%0.6973%0.725SS**  51.113569.3-114.1-57.8000113.4
593N23.3Very low25Very low123 Ų123133.6 Ų133.666%0.65872%0.722SS**  trans59.8131.7149.8-57.8-16.9000117.5
594T22.7Very low25.2Very low95 Ų95131.5 Ų131.558%0.58372%0.722SS**  cis169.3178.69.623.60000104
595F23.1Very low25.4Very low187 Ų187131.8 Ų131.882%0.8272%0.724SS**  trans70.2154.7161.4-58.7-61.1000115
596S23.7Very low25.6Very low78 Ų78133.5 Ų133.555%0.54573%0.73SS.*  cis-149.6166.1-2.3-131.40000112
597R23.7Very low26Very low239 Ų239130.4 Ų130.490%0.90273%0.731SS**  trans25.6118.9141.9-60.8159.6170167.5-6116.8
598G25.6Very low26.1Very low70 Ų70129.9 Ų129.972%0.72273%0.733SS**  cis140.5-137.810.600000110.6
599S27.2Very low26.4Very low120 Ų120125.1 Ų125.184%0.83972%0.723SS**  trans70.7106.8179.1-630000116.7
600S25.6Very low26.6Very low111 Ų111129.8 Ų129.878%0.77674%0.735SS**  55.5142.9126.3-54.40000120
601V29.2Very low27.3Very low126 Ų126129 Ų12976%0.76474%0.738SS**  cis-144.7112.842.11720000112.8
602K29.3Very low27.4Very low177 Ų177129 Ų12977%0.7774%0.742SS**  trans54.3154.1135.3-63-176.3176.5178.50123.6
603T29Very low27.5Very low119 Ų119126 Ų12673%0.7374%0.739SS**  trans68.5110.5147.740.30000117.5
604S28.3Very low27.7Very low96 Ų96126.9 Ų126.967%0.67174%0.742SS**  cis102152.845.968.30000111.7
605L27.8Very low27.9Very low149 Ų149127.5 Ų127.578%0.7875%0.746SS**  cis-152157.59.1-155.367.2000110.9
606T28.7Very low28.2Very low122 Ų122125.5 Ų125.575%0.74874%0.744SS**  trans22130.9153.5520000122
607G31.7Very low28.7Very low71 Ų71126.2 Ų126.273%0.73275%0.747SS**  140.2143.6120.800000116
608L28.2Very low28.8Very low156 Ų156119.5 Ų119.582%0.81774%0.737SS**  cis-165.4163.3-17.5-129.6172.3000108.1
609S30.5Very low28.9Very low90 Ų90122 Ų12263%0.62974%0.738SS**  trans33.7137154.255.80000121.4
610Q27.8Very low28.8Very low180 Ų180123.5 Ų123.584%0.84173%0.731SS**  cis179.8162.3-13.4-125178.4-24.800106.1
611P38.1Very low28.9Very low112 Ų112125.4 Ų125.473%0.72773%0.73SS**  trans-98.9151.9172.437.3-30.8000112.7
612T28.4Very low28.8Very low138 Ų138124.6 Ų124.685%0.84773%0.73SS**  trans-167.9156.4162270000110
613S26.5Very low28.6Very low88 Ų88119.1 Ų119.162%0.61572%0.724SS**  cis178.7-163.3-3049.80000108.2
614L27Very low28.6Very low140 Ų140119.8 Ų119.873%0.73372%0.722SS**  trans82.291.5151.7-71.4160.9000119.7
615T26.9Very low28.5Very low108 Ų108117.2 Ų117.266%0.66370%0.7SS**  65.2125.5115.353.50000122.2
616D28Very low28.6Very low145 Ų145118.7 Ų118.778%0.77570%0.701SS**  52.1166.893.2-113.3-4.4000118.8
617P35.6Very low28.5Very low94 Ų94117 Ų11761%0.6169%0.687SS**  cis-140.4173.1-1037.6-18.9000116.3
618S25.4Very low28.3Very low98 Ų98118.5 Ų118.569%0.68568%0.678SS**  trans69.5174.8136.372.40000122.7
619V27.9Very low28.2Very low123 Ų123114.1 Ų114.175%0.74565%0.653SS**  trans78.6126.4163171.80000117.2
620Q25.5Very low28.1Very low150 Ų150112.2 Ų112.270%0.70164%0.638SS**  cis-171.5163.4-26.4-130.1174.819.200111.9
621M26.2Very low28Very low152 Ų152105.7 Ų105.775%0.74961%0.613SS**  trans65.2152.5151.6-65.8-158.5-161.400122.5
622S27.8Very low27.5Very low108 Ų108105.4 Ų105.476%0.75561%0.605SS**  trans44115.9148.757.20000119.7
623G25.3Very low27.4Very low62 Ų62103.5 Ų103.564%0.63960%0.597SS**  cis89.576.2-000000115.7
624I28Very low27.6Very low134 Ų134106.3 Ų106.369%0.68760%0.6SS**  trans-119.2169.8169.1-82.6174.7000111.8F626 R1268I624-F626 HydrophobicContact CG2-CE2 4.42Å; I624-R1268 PolarHBondContact O-NH1 3.05Å; I624-R1268 PolarHBondContact O-NH2 2.83Å; I624-R1268 VanDerWaalsContact O-NH2 3.1Å
625N26.9Very low27.6Very low42 Ų42107.7 Ų107.723%0.22561%0.607CS.*  trans-159.4120.6-151.1-174.341.6000113.4K1266 R1267N625-K1266 PolarHBondContact ND2-NZ 3.32Å; N625-K1266 WeakPolarHBondContact OD1-CE 3.27Å; N625-K1266 PolarHBondContact OD1-NZ 2.84Å; N625-K1266 VanDerWaalsContact OD1-NZ 3.1Å; N625-R1267 VanDerWaalsContact CG-CZ 3.47Å; N625-R1267 PolarHBondContact ND2-NE 2.8Å; N625-R1267 PolarHBondContact OD1-NE 3.13Å
626F31.2Very low27.7Very low180 Ų180108.2 Ų108.279%0.78961%0.606SS**  trans-136.8133.2158.1-71-76.3000107.7I624I624-F626 HydrophobicContact CG2-CE2 4.42Å
627N24.9Very low27.7Very low85 Ų85109.7 Ų109.746%0.45561%0.606SS.*  63.1129.760.3-90.435.8000108.7K1266N627-K1266 VanDerWaalsContact N-NZ 3.13Å; N627-K1266 WeakPolarHBondContact OD1-CE 3.39Å; N627-K1266 PolarHBondContact OD1-NZ 3.34Å
628D28.5Very low27.3Very low104 Ų104109.8 Ų109.856%0.55661%0.605SS**  cis-169.6164.315.8-101.5-12.9000109.5
629E26.6Very low27.3Very low63 Ų63111.8 Ų111.829%0.29461%0.608SS.*  cis-169168.2-4.6-135-174.9-161.200111.7K1263 R1264 T1265E629-K1263 HydrophobicContact CG-CG 4.16Å; E629-K1263 WeakPolarHBondContact OE1-CE 3.43Å; E629-K1263 VanDerWaalsContact OE1-CG 3.23Å; E629-K1263 WeakPolarHBondContact OE1-CG 3.46Å; E629-K1263 IonicContact OE1-NZ 3.16Å; E629-K1263 WeakPolarHBondContact OE2-CE 3.39Å; E629-K1263 VanDerWaalsContact OE2-CG 3.3Å; E629-K1263 WeakPolarHBondContact OE2-CG 3.37Å; E629-K1263 IonicContact OE2-NZ 3.46Å; E629-K1263 PolarHBondContact OE2-NZ 3.03Å; E629-R1264 IonicContact OE1-NE 3.75Å; E629-R1264 PolarHBondContact OE1-NE 2.77Å; E629-R1264 IonicContact OE1-NH2 2.7Å; E629-T1265 HydrophobicContact CB-CG2 4.38Å; E629-T1265 HydrophobicContact CG-CG2 3.66Å
630T27.3Very low27.2Very low50 Ų50115.4 Ų115.431%0.30761%0.61SS.*  trans87.4140.1143.369.50000127.3I1262 K1263T630-I1262 HydrophobicContact CG2-CB 4.11Å; T630-I1262 HydrophobicContact CG2-CG1 3.7Å; T630-I1262 HydrophobicContact CG2-CG2 4.2Å; T630-K1263 HydrophobicContact CG2-CB 4.43Å; T630-K1263 HydrophobicContact CG2-CG 3.79Å
631S26.6Very low27.4Very low44 Ų44115.2 Ų115.231%0.30861%0.607SS.*  trans86129.8154.6-31.90000116.6
632N26.8Very low27.3Very low106 Ų106114.6 Ų114.657%0.56761%0.606SS**  cis68.1137.939.3-61.7-1.9000113.7S1261 I1262N632-S1261 WeakPolarHBondContact CB-O 3.26Å; N632-S1261 PolarHBondContact ND2-O 3.35Å; N632-I1262 PolarHBondContact ND2-N 3.45Å
633S27.4Very low27.2Very low98 Ų98114.9 Ų114.969%0.68561%0.608SS**  cis-145.6142.25.141.30000109.8
634H29.5Very low27.5Very low147 Ų147117.9 Ų117.968%0.68162%0.616SS**  76.1112.258.2-151.4-10.9000114.1
635L28.2Very low27.5Very low168 Ų168118.9 Ų118.988%0.8862%0.622SS**  trans168.7101.1148.4-93.5165.6000107.2
636N28.3Very low27.5Very low119 Ų119124.1 Ų124.164%0.63665%0.65SS**  cis87141.329.2-153.538000114.2
637K28.5Very low27.3Very low177 Ų177125.1 Ų125.177%0.7766%0.657SS**  trans84.4142.3-176.7-62.4-149.7163.4-1660117.3
638T25.9Very low27.4Very low96 Ų96124.3 Ų124.359%0.58966%0.657SS**  cis-157.8148.9-18.717.10000110.4
639D25.7Very low27.5Very low139 Ų139127 Ų12774%0.74366%0.661SS**  trans25.5119137.2-31.6-28.3000119.4
640Y27Very low28Very low200 Ų200130 Ų13078%0.78468%0.679SS**  -161.5120.3123.7-131.2-110000114.1
641F28.3Very low28.6Very low146 Ų146130.5 Ų130.564%0.6468%0.683SS**  trans46.6116.8144.5-75.3-110.7000123.2
642D24.1Very low29.4Very low139 Ų139132.1 Ų132.174%0.74369%0.69SS**  29.4111.6114-54.2-27.4000120.3
643S26Very low30.1Very low114 Ų114137 Ų13780%0.79770%0.702SS**  -173.6152116.2-80.20000112.5
644P31.5Very low31.8Very low124 Ų124135.3 Ų135.381%0.80569%0.685SS**  trans-97.5138.2-176.436-32.2000113.5
645I28Very low33.5Very low156 Ų156132.2 Ų132.280%0.867%0.673SS**  trans-137.9112.3169.3-58.6-177.4000111.4
646N26.4Very low34.9Very low152 Ų152126.6 Ų126.681%0.81365%0.646SS**  trans36.8118.6156.1-60.9-2.1000121.8
647E28.2Very low36.5Very low201 Ų201126.7 Ų126.794%0.93965%0.646SS**  trans-69.7136.4162.5-54.217812300111.7
648S26.3Very low38.4Very low67 Ų67122.8 Ų122.847%0.46963%0.63SS.*  trans-161.727.2157.661.80000115R486R486-S648 PolarHBondContact NH1-OG 3.41Å
649Y31.4Very low40.3Very low162 Ų162121.8 Ų121.864%0.63562%0.619SS**  trans-132.2121.5-174.4-89.9-84.3000115.7
650L36.7Very low42.3Very low126 Ų126118.4 Ų118.466%0.6661%0.606SS**  trans78.5145157-54.4-178.2000118.4T652L650-T652 WeakPolarHBondContact CD1-OG1 3.49Å; L650-T652 WeakPolarHBondContact CD2-OG1 3.39Å
651P39.2Very low44.6Very low60 Ų60112.7 Ų112.739%0.3959%0.592SS.*  -124.497.7103.7-122.2000114.7Y653 M654P651-Y653 VanDerWaalsContact C-N 3.25Å; P651-Y653 PolarHBondContact O-N 3.15Å; P651-M654 HydrophobicContact CB-CB 4.3Å; P651-M654 HydrophobicContact CB-CE 4.07Å; P651-M654 HydrophobicContact CB-CG 3.34Å; P651-M654 HydrophobicContact CG-CG 4.1Å
652T43.2Very low47Very low77 Ų77110.6 Ų110.647%0.47258%0.58SS.*THydrogen-bonded Turntrans-73.4-17.2170-630000112.7L650L650-T652 WeakPolarHBondContact CD1-OG1 3.49Å; L650-T652 WeakPolarHBondContact CD2-OG1 3.39Å
653Y42.2Very low49.1Very low209 Ų209110.8 Ų110.882%0.8257%0.571SS**THydrogen-bonded Turntrans-111.421.2-171.2-77.3-81.4000115P651P651-Y653 VanDerWaalsContact C-N 3.25Å; P651-Y653 PolarHBondContact O-N 3.15Å
654M63.8Low51.7Low63 Ų63111 Ų11131%0.3156%0.559SS.*  trans-81.9127.4175.3-73-68.8169.700112.1P651 Q658 Q659P651-M654 HydrophobicContact CB-CB 4.3Å; P651-M654 HydrophobicContact CB-CE 4.07Å; P651-M654 HydrophobicContact CB-CG 3.34Å; P651-M654 HydrophobicContact CG-CG 4.1Å; M654-Q658 HydrophobicContact CB-CB 4.05Å; M654-Q658 HydrophobicContact CG-CB 4.29Å; M654-Q658 HydrophobicContact SD-CB 3.49Å; M654-Q658 WeakPolarHBondContact SD-CB 3.49Å; M654-Q658 VanDerWaalsContact SD-CD 3.52Å; M654-Q658 HydrophobicContact SD-CG 4.04Å; M654-Q659 HydrophobicContact CB-CG 3.75Å; M654-Q659 PolarHBondContact O-NE2 3.04Å
655N65.6Low54.1Low82 Ų82110.4 Ų110.444%0.43955%0.546SS..  trans-58.9149.9169.7-179.8-71.5000110.7I657 Q658 Q659N655-I657 PolarHBondContact O-N 3.08Å; N655-I657 PolarHBondContact OD1-N 2.76Å; N655-Q658 HydrophobicContact CB-CG 4.27Å; N655-Q658 CarbonylContact O-C 3.59Å; N655-Q658 WeakPolarHBondContact O-CA 3.48Å; N655-Q658 WeakPolarHBondContact O-CB 3.1Å; N655-Q658 PolarHBondContact O-N 3.41Å; N655-Q659 PolarHBondContact O-N 3.03Å
656P57.9Low56.5Low49 Ų49105.5 Ų105.532%0.31852%0.52SS..Hα-helixtrans-47.9-34176.7-30.734.6000115.9S660 L1135P656-S660 PolarHBondContact O-N 3.1Å; P656-L1135 WeakPolarHBondContact CG-O 3.22Å
657I61.2Low58.9Low121 Ų121102.6 Ų102.662%0.62150%0.501SS*.Hα-helixtrans-67.5-48.4174.1-62.1177.2000110.3N655 Q659 S660 V661N655-I657 PolarHBondContact O-N 3.08Å; N655-I657 PolarHBondContact OD1-N 2.76Å; I657-Q659 VanDerWaalsContact C-N 3.33Å; I657-Q659 PolarHBondContact O-N 2.72Å; I657-S660 PolarHBondContact O-N 2.83Å; I657-S660 VanDerWaalsContact O-N 3.08Å; I657-S660 PolarHBondContact O-OG 3.25Å; I657-V661 PolarHBondContact O-N 3.37Å
658Q67.5Low61.3Low96 Ų9698.8 Ų98.845%0.44948%0.483SS..Hα-helixtrans-63.6-37.4177.1-62.2169.4-64.200111.8M654 N655 S660 V661 Y662M654-Q658 HydrophobicContact CB-CB 4.05Å; M654-Q658 HydrophobicContact CG-CB 4.29Å; M654-Q658 HydrophobicContact SD-CB 3.49Å; M654-Q658 WeakPolarHBondContact SD-CB 3.49Å; M654-Q658 VanDerWaalsContact SD-CD 3.52Å; M654-Q658 HydrophobicContact SD-CG 4.04Å; N655-Q658 HydrophobicContact CB-CG 4.27Å; N655-Q658 CarbonylContact O-C 3.59Å; N655-Q658 WeakPolarHBondContact O-CA 3.48Å; N655-Q658 WeakPolarHBondContact O-CB 3.1Å; N655-Q658 PolarHBondContact O-N 3.41Å; Q658-S660 VanDerWaalsContact C-N 3.32Å; Q658-S660 PolarHBondContact O-N 3.13Å; Q658-V661 PolarHBondContact O-N 2.99Å; Q658-Y662 VanDerWaalsContact O-CB 3.24Å; Q658-Y662 WeakPolarHBondContact O-CB 3.28Å; Q658-Y662 PolarHBondContact O-N 3.18Å
659Q65.5Low63.6Low74 Ų74101.4 Ų101.435%0.34649%0.488SS..Hα-helixtrans-61.5-39.7171.6-67.5-174.717.500111.7M654 N655 I657 Y662 W663M654-Q659 HydrophobicContact CB-CG 3.75Å; M654-Q659 PolarHBondContact O-NE2 3.04Å; N655-Q659 PolarHBondContact O-N 3.03Å; I657-Q659 VanDerWaalsContact C-N 3.33Å; I657-Q659 PolarHBondContact O-N 2.72Å; Q659-Y662 PolarHBondContact O-N 3.21Å; Q659-W663 WeakPolarHBondContact O-CB 3.42Å; Q659-W663 PolarHBondContact O-N 2.76Å
660S68.1Low65.5Low68 Ų6898.6 Ų98.648%0.47648%0.481SS..Hα-helixtrans-67.6-38176.674.60000112.9P656 I657 Q658 Q664P656-S660 PolarHBondContact O-N 3.1Å; I657-S660 PolarHBondContact O-N 2.83Å; I657-S660 VanDerWaalsContact O-N 3.08Å; I657-S660 PolarHBondContact O-OG 3.25Å; Q658-S660 VanDerWaalsContact C-N 3.32Å; Q658-S660 PolarHBondContact O-N 3.13Å; S660-Q664 VanDerWaalsContact O-CB 3.32Å; S660-Q664 WeakPolarHBondContact O-CB 3.39Å; S660-Q664 PolarHBondContact O-N 3.13Å
661V76.6Confident67.3Low81 Ų8196.7 Ų96.749%0.49147%0.468SS..Hα-helixtrans-68-44.1174.1174.70000110.8I657 Q658 Q664 Q665I657-V661 PolarHBondContact O-N 3.37Å; Q658-V661 PolarHBondContact O-N 2.99Å; V661-Q664 PolarHBondContact O-N 2.98Å; V661-Q665 WeakPolarHBondContact O-CB 3.35Å; V661-Q665 PolarHBondContact O-N 3.33Å
662Y78.7Confident68.9Low101 Ų10196.5 Ų96.540%0.39647%0.468SS..Hα-helixtrans-60.8-45.7176.2179.5-94.9000112.1Q658 Q659 Q665 Q666Q658-Y662 VanDerWaalsContact O-CB 3.24Å; Q658-Y662 WeakPolarHBondContact O-CB 3.28Å; Q658-Y662 PolarHBondContact O-N 3.18Å; Q659-Y662 PolarHBondContact O-N 3.21Å; Y662-Q665 PolarHBondContact O-N 3.03Å; Y662-Q666 HydrophobicContact CE1-CG 4.09Å; Y662-Q666 VanDerWaalsContact CE1-NE2 3.34Å; Y662-Q666 PolarHBondContact O-N 2.91Å; Y662-Q666 PolarHBondContact OH-NE2 3.26Å
663W66.8Low70.3Confident143 Ų14398.4 Ų98.454%0.54247%0.471SS..Hα-helixtrans-65.7-37.3175-90.8110000113.2Q659 Q665 Q667Q659-W663 WeakPolarHBondContact O-CB 3.42Å; Q659-W663 PolarHBondContact O-N 2.76Å; W663-Q665 VanDerWaalsContact C-N 3.33Å; W663-Q667 PolarHBondContact O-N 2.78Å
664Q81.1Confident71.8Confident119 Ų11992.9 Ų92.956%0.55645%0.453SS*.Hα-helixtrans-66.8-37173.8-174.3173.5-19.900111.3S660 V661 Q667 Q668S660-Q664 VanDerWaalsContact O-CB 3.32Å; S660-Q664 WeakPolarHBondContact O-CB 3.39Å; S660-Q664 PolarHBondContact O-N 3.13Å; V661-Q664 PolarHBondContact O-N 2.98Å; Q664-Q667 PolarHBondContact O-N 3.24Å; Q664-Q668 WeakPolarHBondContact O-CB 3.17Å; Q664-Q668 PolarHBondContact O-N 2.92Å
665Q81.8Confident72.1Confident112 Ų11296.5 Ų96.552%0.52347%0.469SS..Hα-helixtrans-73.3-35.1177-165.7162.816.400112.4V661 Y662 W663 Q668 Q669V661-Q665 WeakPolarHBondContact O-CB 3.35Å; V661-Q665 PolarHBondContact O-N 3.33Å; Y662-Q665 PolarHBondContact O-N 3.03Å; W663-Q665 VanDerWaalsContact C-N 3.33Å; Q665-Q668 PolarHBondContact O-N 3.3Å; Q665-Q669 WeakPolarHBondContact O-CB 3.38Å; Q665-Q669 VanDerWaalsContact O-CG 3.3Å; Q665-Q669 WeakPolarHBondContact O-CG 3.34Å; Q665-Q669 PolarHBondContact O-N 2.84Å
666Q78.9Confident72.4Confident53 Ų5399.1 Ų99.125%0.24848%0.476CS..Hα-helixtrans-62.1-46.2168.5-86.2-15410.100111.8Y662 Q668 Q669 Q670Y662-Q666 HydrophobicContact CE1-CG 4.09Å; Y662-Q666 VanDerWaalsContact CE1-NE2 3.34Å; Y662-Q666 PolarHBondContact O-N 2.91Å; Y662-Q666 PolarHBondContact OH-NE2 3.26Å; Q666-Q668 VanDerWaalsContact C-N 3.29Å; Q666-Q668 PolarHBondContact O-N 3.18Å; Q666-Q669 PolarHBondContact O-N 2.78Å; Q666-Q670 WeakPolarHBondContact O-CG 3.35Å; Q666-Q670 PolarHBondContact O-N 3.42Å
667Q76.9Confident73.1Confident90 Ų90101.3 Ų101.342%0.42148%0.482SS..Hα-helixtrans-58.7-43.6175.4-77.3179.335.100111.2W663 Q664 Q669 Q670 E671W663-Q667 PolarHBondContact O-N 2.78Å; Q664-Q667 PolarHBondContact O-N 3.24Å; Q667-Q669 VanDerWaalsContact C-N 3.32Å; Q667-Q669 PolarHBondContact O-N 2.9Å; Q667-Q670 PolarHBondContact O-N 2.95Å; Q667-E671 WeakPolarHBondContact O-CB 3.43Å; Q667-E671 WeakPolarHBondContact O-CG 3.22Å; Q667-E671 PolarHBondContact O-N 3.29Å
668Q77.7Confident73.8Confident122 Ų122100.1 Ų100.157%0.5747%0.474SS*.Hα-helixtrans-68.8-28.5179.3-163.41517300113Q664 Q665 Q666 C672Q664-Q668 WeakPolarHBondContact O-CB 3.17Å; Q664-Q668 PolarHBondContact O-N 2.92Å; Q665-Q668 PolarHBondContact O-N 3.3Å; Q666-Q668 VanDerWaalsContact C-N 3.29Å; Q666-Q668 PolarHBondContact O-N 3.18Å; Q668-C672 WeakPolarHBondContact O-CB 3.45Å; Q668-C672 PolarHBondContact O-N 2.75Å; Q668-C672 VanDerWaalsContact O-N 3.12Å
669Q75.4Confident74.1Confident121 Ų121102 Ų10257%0.56548%0.483SS*.Hα-helixtrans-72.4-40168.7-75173.53.700112.2Q665 Q666 Q667 C672 H673Q665-Q669 WeakPolarHBondContact O-CB 3.38Å; Q665-Q669 VanDerWaalsContact O-CG 3.3Å; Q665-Q669 WeakPolarHBondContact O-CG 3.34Å; Q665-Q669 PolarHBondContact O-N 2.84Å; Q666-Q669 PolarHBondContact O-N 2.78Å; Q667-Q669 VanDerWaalsContact C-N 3.32Å; Q667-Q669 PolarHBondContact O-N 2.9Å; Q669-C672 CarbonylContact O-C 3.59Å; Q669-C672 PolarHBondContact O-N 3.2Å; Q669-H673 PolarHBondContact O-N 2.85Å
670Q71.8Confident74.4Confident104 Ų104101.2 Ų101.249%0.48649%0.486SS..Hα-helixtrans-67.6-37.6175.6-73.3177-7.300112.3Q666 Q667 C672 H673 H674Q666-Q670 WeakPolarHBondContact O-CG 3.35Å; Q666-Q670 PolarHBondContact O-N 3.42Å; Q667-Q670 PolarHBondContact O-N 2.95Å; Q670-C672 VanDerWaalsContact C-N 3.35Å; Q670-H673 PolarHBondContact O-N 3.09Å; Q670-H674 PolarHBondContact O-N 3.44Å; Q670-H674 PolarHBondContact O-ND1 3.31Å
671E74.5Confident74.7Confident85 Ų85101.9 Ų101.940%0.39748%0.484SS..Hα-helixtrans-61.7-42.7169.9-74.1174167.700110.8Q667 Q675 Y1387Q667-E671 WeakPolarHBondContact O-CB 3.43Å; Q667-E671 WeakPolarHBondContact O-CG 3.22Å; Q667-E671 PolarHBondContact O-N 3.29Å; E671-Q675 WeakPolarHBondContact O-CG 3.49Å; E671-Q675 PolarHBondContact O-N 3.11Å; E671-Y1387 WeakPolarHBondContact OE1-CE1 3.4Å
672C71.4Confident74.5Confident57 Ų57103.2 Ų103.239%0.38549%0.485SS..Hα-helixtrans-68.1-36.7176.2-171.20000113Q668 Q669 Q670 Q675 K676Q668-C672 WeakPolarHBondContact O-CB 3.45Å; Q668-C672 PolarHBondContact O-N 2.75Å; Q668-C672 VanDerWaalsContact O-N 3.12Å; Q669-C672 CarbonylContact O-C 3.59Å; Q669-C672 PolarHBondContact O-N 3.2Å; Q670-C672 VanDerWaalsContact C-N 3.35Å; C672-Q675 PolarHBondContact O-N 3.22Å; C672-K676 WeakPolarHBondContact O-CG 3.13Å; C672-K676 PolarHBondContact O-N 3.05Å
673H72.7Confident74.2Confident117 Ų117105.3 Ų105.354%0.54249%0.493SS..Hα-helixtrans-63-53.3174-161.8-77.9000110.4Q669 Q670 Q675 K676 E677Q669-H673 PolarHBondContact O-N 2.85Å; Q670-H673 PolarHBondContact O-N 3.09Å; H673-Q675 PolarHBondContact O-N 3.09Å; H673-K676 PolarHBondContact O-N 3.32Å; H673-E677 IonicContact CE1-OE2 3.62Å; H673-E677 PolarHBondContact CE1-OE2 3.06Å; H673-E677 IonicContact ND1-OE2 3.87Å; H673-E677 PolarHBondContact ND1-OE2 3.12Å; H673-E677 VanDerWaalsContact O-CB 3.26Å; H673-E677 WeakPolarHBondContact O-CB 3.49Å; H673-E677 PolarHBondContact O-N 2.89Å
674H73.2Confident74.4Confident92 Ų92101.9 Ų101.943%0.42649%0.485SS..Hα-helixtrans-56.9-35.9176.1-78.992.7000112.6Q670 H678 R1384Q670-H674 PolarHBondContact O-N 3.44Å; Q670-H674 PolarHBondContact O-ND1 3.31Å; H674-H678 WeakPolarHBondContact O-CB 3.18Å; H674-H678 PolarHBondContact O-N 3.12Å; H674-R1384 PolarHBondContact CD2-NH2 2.8Å
675Q71.1Confident73.9Confident139 Ų139102 Ų10265%0.6549%0.486SS*.Hα-helixtrans-68.4-40.5174.6-79.8-176.2-1300113E671 C672 H673 Q679E671-Q675 WeakPolarHBondContact O-CG 3.49Å; E671-Q675 PolarHBondContact O-N 3.11Å; C672-Q675 PolarHBondContact O-N 3.22Å; H673-Q675 PolarHBondContact O-N 3.09Å; Q675-Q679 WeakPolarHBondContact O-CB 3.41Å; Q675-Q679 WeakPolarHBondContact O-CG 3.43Å; Q675-Q679 PolarHBondContact O-N 3.2Å
676K72.3Confident73.1Confident138 Ų138102.2 Ų102.260%0.649%0.487SS*.Hα-helixtrans-67.2-41175.3-75.9178176.2-176.80112.3C672 H673 Q679 S680C672-K676 WeakPolarHBondContact O-CG 3.13Å; C672-K676 PolarHBondContact O-N 3.05Å; H673-K676 PolarHBondContact O-N 3.32Å; K676-Q679 CarbonylContact O-C 3.57Å; K676-Q679 PolarHBondContact O-N 3.4Å; K676-S680 WeakPolarHBondContact O-CB 3.31Å; K676-S680 PolarHBondContact O-N 3.18Å
677E72.8Confident72.6Confident95 Ų95102.8 Ų102.844%0.44449%0.491SS..Hα-helixtrans-64.4-48.2177.5-165.1169.1175.200110H673 Q679 S680 D681H673-E677 IonicContact CE1-OE2 3.62Å; H673-E677 PolarHBondContact CE1-OE2 3.06Å; H673-E677 IonicContact ND1-OE2 3.87Å; H673-E677 PolarHBondContact ND1-OE2 3.12Å; H673-E677 VanDerWaalsContact O-CB 3.26Å; H673-E677 WeakPolarHBondContact O-CB 3.49Å; H673-E677 PolarHBondContact O-N 2.89Å; E677-Q679 VanDerWaalsContact C-N 3.31Å; E677-Q679 PolarHBondContact O-N 2.88Å; E677-S680 CarbonylContact O-C 3.28Å; E677-S680 WeakPolarHBondContact O-CA 3.11Å; E677-S680 WeakPolarHBondContact O-CB 3.32Å; E677-S680 PolarHBondContact O-N 2.93Å; E677-D681 PolarHBondContact O-N 2.98Å
678H75.6Confident71.7Confident96 Ų96103.2 Ų103.244%0.44450%0.496SS..Hα-helixtrans-67.4-26.6175.5-155.4-32.6000113.5H674 Q682H674-H678 WeakPolarHBondContact O-CB 3.18Å; H674-H678 PolarHBondContact O-N 3.12Å; H678-Q682 WeakPolarHBondContact O-CB 3.34Å; H678-Q682 WeakPolarHBondContact O-CG 3.13Å; H678-Q682 PolarHBondContact O-N 2.8Å
679Q72Confident70.6Confident134 Ų134102.8 Ų102.863%0.62650%0.497SS*.Hα-helixtrans-74.4-37.2167.4-85.8-172.2-18.600112.5Q675 K676 E677 Q682 Y683Q675-Q679 WeakPolarHBondContact O-CB 3.41Å; Q675-Q679 WeakPolarHBondContact O-CG 3.43Å; Q675-Q679 PolarHBondContact O-N 3.2Å; K676-Q679 CarbonylContact O-C 3.57Å; K676-Q679 PolarHBondContact O-N 3.4Å; E677-Q679 VanDerWaalsContact C-N 3.31Å; E677-Q679 PolarHBondContact O-N 2.88Å; Q679-Q682 PolarHBondContact O-N 2.87Å; Q679-Y683 VanDerWaalsContact O-CB 3.29Å; Q679-Y683 WeakPolarHBondContact O-CB 3.35Å; Q679-Y683 PolarHBondContact O-N 2.94Å
680S72.2Confident69.1Low59 Ų59102 Ų10241%0.41350%0.496SS..Hα-helixtrans-63.9-43.7174-170.60000110.2K676 E677 Y683 N684K676-S680 WeakPolarHBondContact O-CB 3.31Å; K676-S680 PolarHBondContact O-N 3.18Å; E677-S680 CarbonylContact O-C 3.28Å; E677-S680 WeakPolarHBondContact O-CA 3.11Å; E677-S680 WeakPolarHBondContact O-CB 3.32Å; E677-S680 PolarHBondContact O-N 2.93Å; S680-Y683 CarbonylContact O-C 3.47Å; S680-Y683 PolarHBondContact O-N 3.11Å; S680-N684 VanDerWaalsContact O-CB 3.3Å; S680-N684 WeakPolarHBondContact O-CB 3.39Å; S680-N684 PolarHBondContact O-N 3.13Å; S680-N684 PolarHBondContact O-ND2 2.78Å
681D74.4Confident68.2Low82 Ų82101.6 Ų101.644%0.43950%0.501SS..Hα-helixtrans-64.2-41.5173.6-74.4-23000112.4E677 Y683 N684 Q685E677-D681 PolarHBondContact O-N 2.98Å; D681-Y683 VanDerWaalsContact C-N 3.33Å; D681-Y683 PolarHBondContact O-N 2.94Å; D681-N684 PolarHBondContact O-N 3Å; D681-Q685 VanDerWaalsContact O-CB 3.27Å; D681-Q685 WeakPolarHBondContact O-CB 3.2Å; D681-Q685 WeakPolarHBondContact O-CG 3.41Å; D681-Q685 PolarHBondContact O-N 3.35Å
682Q72.9Confident66.7Low109 Ų109102.3 Ų102.351%0.50952%0.515SS..Hα-helixtrans-63.7-37.8172.2-82.7-171.4-27.900112.4H678 Q679 Q686H678-Q682 WeakPolarHBondContact O-CB 3.34Å; H678-Q682 WeakPolarHBondContact O-CG 3.13Å; H678-Q682 PolarHBondContact O-N 2.8Å; Q679-Q682 PolarHBondContact O-N 2.87Å; Q682-Q686 WeakPolarHBondContact O-CB 3.12Å; Q682-Q686 WeakPolarHBondContact O-CG 3.35Å; Q682-Q686 PolarHBondContact O-N 3.5Å
683Y71.8Confident65.1Low145 Ų145104.5 Ų104.557%0.56953%0.527SS*.Hα-helixtrans-70.8-39177.2-172-111000111.9Q679 S680 D681 Q686 I687Q679-Y683 VanDerWaalsContact O-CB 3.29Å; Q679-Y683 WeakPolarHBondContact O-CB 3.35Å; Q679-Y683 PolarHBondContact O-N 2.94Å; S680-Y683 CarbonylContact O-C 3.47Å; S680-Y683 PolarHBondContact O-N 3.11Å; D681-Y683 VanDerWaalsContact C-N 3.33Å; D681-Y683 PolarHBondContact O-N 2.94Å; Y683-Q686 CarbonylContact O-C 3.56Å; Y683-Q686 PolarHBondContact O-N 2.99Å; Y683-I687 HydrophobicContact CD1-CD1 3.86Å; Y683-I687 HydrophobicContact CE1-CD1 3.36Å; Y683-I687 HydrophobicContact CE1-CG1 4.26Å; Y683-I687 WeakPolarHBondContact O-CB 3.42Å; Y683-I687 WeakPolarHBondContact O-CG1 3.46Å; Y683-I687 PolarHBondContact O-N 3.21Å
684N71.9Confident63.2Low70 Ų70104.8 Ų104.837%0.37453%0.533SS..Hα-helixtrans-69-37.6174.1-70.1-27000111.4S680 D681 I687 N688S680-N684 VanDerWaalsContact O-CB 3.3Å; S680-N684 WeakPolarHBondContact O-CB 3.39Å; S680-N684 PolarHBondContact O-N 3.13Å; S680-N684 PolarHBondContact O-ND2 2.78Å; D681-N684 PolarHBondContact O-N 3Å; N684-I687 PolarHBondContact O-N 3.08Å; N684-N688 VanDerWaalsContact O-CB 3.26Å; N684-N688 WeakPolarHBondContact O-CB 3.14Å; N684-N688 PolarHBondContact O-N 3.43Å; N684-N688 PolarHBondContact O-ND2 2.83Å
685Q70.3Confident61.1Low122 Ų122105.6 Ų105.657%0.5755%0.549SS*.Hα-helixtrans-65.7-41.4170.3-74.2173.720.700111.4D681 N688 L689D681-Q685 VanDerWaalsContact O-CB 3.27Å; D681-Q685 WeakPolarHBondContact O-CB 3.2Å; D681-Q685 WeakPolarHBondContact O-CG 3.41Å; D681-Q685 PolarHBondContact O-N 3.35Å; Q685-N688 PolarHBondContact O-N 2.68Å; Q685-L689 WeakPolarHBondContact O-CB 3.44Å; Q685-L689 VanDerWaalsContact O-CG 3.27Å; Q685-L689 WeakPolarHBondContact O-CG 3.06Å; Q685-L689 PolarHBondContact O-N 3.29Å
686Q65.9Low59.2Low116 Ų116107.4 Ų107.454%0.54256%0.562SS.*Hα-helixtrans-64.4-41.8172.9-79.5-175.6-6.400112.4Q682 Y683 L689 L690Q682-Q686 WeakPolarHBondContact O-CB 3.12Å; Q682-Q686 WeakPolarHBondContact O-CG 3.35Å; Q682-Q686 PolarHBondContact O-N 3.5Å; Y683-Q686 CarbonylContact O-C 3.56Å; Y683-Q686 PolarHBondContact O-N 2.99Å; Q686-L689 PolarHBondContact O-N 2.95Å; Q686-L690 VanDerWaalsContact O-CB 3.29Å; Q686-L690 WeakPolarHBondContact O-CB 3.43Å; Q686-L690 WeakPolarHBondContact O-CD1 3.25Å; Q686-L690 VanDerWaalsContact O-CG 3.31Å; Q686-L690 WeakPolarHBondContact O-CG 3.22Å; Q686-L690 PolarHBondContact O-N 3.26Å
687I68Low57.2Low65 Ų65106.1 Ų106.133%0.33356%0.562SS.*Hα-helixtrans-63.9-41.4173.6-79.1179.9000110.7Y683 N684 L689 L690 T691Y683-I687 HydrophobicContact CD1-CD1 3.86Å; Y683-I687 HydrophobicContact CE1-CD1 3.36Å; Y683-I687 HydrophobicContact CE1-CG1 4.26Å; Y683-I687 WeakPolarHBondContact O-CB 3.42Å; Y683-I687 WeakPolarHBondContact O-CG1 3.46Å; Y683-I687 PolarHBondContact O-N 3.21Å; N684-I687 PolarHBondContact O-N 3.08Å; I687-L689 VanDerWaalsContact C-N 3.35Å; I687-L690 PolarHBondContact O-N 3.39Å; I687-T691 WeakPolarHBondContact O-CB 3.21Å; I687-T691 PolarHBondContact O-N 2.93Å; I687-T691 PolarHBondContact O-OG1 3.07Å
688N58.1Low55.1Low100 Ų100108.7 Ų108.754%0.53558%0.578SS.*Hα-helixtrans-68-34.9177-75.6-28.3000111.7N684 Q685 S692N684-N688 VanDerWaalsContact O-CB 3.26Å; N684-N688 WeakPolarHBondContact O-CB 3.14Å; N684-N688 PolarHBondContact O-N 3.43Å; N684-N688 PolarHBondContact O-ND2 2.83Å; Q685-N688 PolarHBondContact O-N 2.68Å; N688-S692 WeakPolarHBondContact O-CB 3.42Å; N688-S692 PolarHBondContact O-N 3.17Å; N688-S692 PolarHBondContact O-OG 3.16Å
689L54.7Low52.8Low112 Ų112112 Ų11259%0.58660%0.597SS**Hα-helixtrans-67.5-45.1170.8-74.5163.8000112.1Q685 Q686 I687 T691 S692 T693Q685-L689 WeakPolarHBondContact O-CB 3.44Å; Q685-L689 VanDerWaalsContact O-CG 3.27Å; Q685-L689 WeakPolarHBondContact O-CG 3.06Å; Q685-L689 PolarHBondContact O-N 3.29Å; Q686-L689 PolarHBondContact O-N 2.95Å; I687-L689 VanDerWaalsContact C-N 3.35Å; L689-T691 VanDerWaalsContact C-N 3.29Å; L689-T691 PolarHBondContact O-N 3.42Å; L689-S692 PolarHBondContact O-N 2.81Å; L689-T693 WeakPolarHBondContact O-CB 3.45Å; L689-T693 WeakPolarHBondContact O-CG2 3.38Å; L689-T693 PolarHBondContact O-N 3.47Å; L689-T693 PolarHBondContact O-OG1 2.94Å
690L44.3Very low50.6Low106 Ų106109.7 Ų109.756%0.55560%0.596SS**Hα-helixtrans-65.1-31.3175.8-78.2161000112.6Q686 I687 T693 N694Q686-L690 VanDerWaalsContact O-CB 3.29Å; Q686-L690 WeakPolarHBondContact O-CB 3.43Å; Q686-L690 WeakPolarHBondContact O-CD1 3.25Å; Q686-L690 VanDerWaalsContact O-CG 3.31Å; Q686-L690 WeakPolarHBondContact O-CG 3.22Å; Q686-L690 PolarHBondContact O-N 3.26Å; I687-L690 PolarHBondContact O-N 3.39Å; L690-T693 WeakPolarHBondContact CA-OG1 3.09Å; L690-T693 PolarHBondContact O-OG1 3.45Å; L690-N694 PolarHBondContact O-ND2 3.47Å
691T51.4Low48.5Very low94 Ų94115.8 Ų115.858%0.57762%0.618SS**Hα-helixtrans-79.8-38.9176.4-56.90000110.8I687 L689 T693 N694I687-T691 WeakPolarHBondContact O-CB 3.21Å; I687-T691 PolarHBondContact O-N 2.93Å; I687-T691 PolarHBondContact O-OG1 3.07Å; L689-T691 VanDerWaalsContact C-N 3.29Å; L689-T691 PolarHBondContact O-N 3.42Å; T691-T693 VanDerWaalsContact C-N 3.25Å; T691-T693 PolarHBondContact O-N 2.79Å; T691-N694 PolarHBondContact O-N 3.32Å
692S42.9Very low46.2Very low100 Ų100116.1 Ų116.170%0.69963%0.627SS**Hα-helixtrans-69.1-20174.5-59.80000113.5N688 L689N688-S692 WeakPolarHBondContact O-CB 3.42Å; N688-S692 PolarHBondContact O-N 3.17Å; N688-S692 PolarHBondContact O-OG 3.16Å; L689-S692 PolarHBondContact O-N 2.81Å
693T38.9Very low44Very low103 Ų103118 Ų11863%0.63264%0.64SS**THydrogen-bonded Turntrans-93.7-5179.1440000114.3L689 L690 T691L689-T693 WeakPolarHBondContact O-CB 3.45Å; L689-T693 WeakPolarHBondContact O-CG2 3.38Å; L689-T693 PolarHBondContact O-N 3.47Å; L689-T693 PolarHBondContact O-OG1 2.94Å; L690-T693 WeakPolarHBondContact CA-OG1 3.09Å; L690-T693 PolarHBondContact O-OG1 3.45Å; T691-T693 VanDerWaalsContact C-N 3.25Å; T691-T693 PolarHBondContact O-N 2.79Å
694N32.5Very low41.9Very low124 Ų124115.2 Ų115.266%0.66364%0.642SS**  trans-103.260.8-179-86.4-72.3000112.9L690 T691L690-N694 PolarHBondContact O-ND2 3.47Å; T691-N694 PolarHBondContact O-N 3.32Å
695S29.9Very low39.9Very low109 Ų109118 Ų11876%0.76266%0.657SS**  trans-15985.9164.5-87.70000114.4
696L31.6Very low37.9Very low176 Ų176118.8 Ų118.892%0.92166%0.658SS**  trans-157.9141143.4-109162.2000109.2
697N29.3Very low36.1Very low112 Ų112120.2 Ų120.260%0.59967%0.665SS**  trans-109.8163.2-165-77-59.6000113.5
698N27.6Very low34.2Very low149 Ų149121.9 Ų121.980%0.79768%0.683SS**  trans73.3106.4155.7-57.4-31.8000119.4
699I28.1Very low32.8Very low164 Ų164124.5 Ų124.584%0.84170%0.696SS**  trans-16298132.8-95.6147000103.8
700S26.4Very low31.5Very low87 Ų87125.5 Ų125.561%0.60870%0.701SS**  81.9109.865.375.40000113.6
701H26.8Very low30.7Very low186 Ų186128.2 Ų128.286%0.86171%0.711SS**  trans64.4150.6174-63.5-80.8000115.4
702S26.3Very low29.6Very low89 Ų89132.9 Ų132.962%0.62272%0.723SS**  cis-161166.9-937.40000108.6
703D27.6Very low28.9Very low149 Ų149135.1 Ų135.180%0.79772%0.722SS**  trans31.8130.8149.4-51.1-24.6000119.1
704S27.3Very low28.4Very low86 Ų86138.1 Ų138.160%0.60173%0.729SS**  cis168175.28.648.60000105.8
705N30.2Very low28.2Very low129 Ų129137.8 Ų137.869%0.6973%0.726SS**  trans70.7142.9169.7-53-59.4000116.5
706K29.1Very low28.1Very low139 Ų139141 Ų14160%0.60473%0.726SS**  cis-165164-17-119.6166.8176.3-790109.3
707E26.8Very low28.2Very low145 Ų145138.9 Ų138.968%0.67873%0.727SS**  trans22.2120.7141.1-66.7144.3-161.900117.1
708S29.3Very low28.2Very low101 Ų101137.5 Ų137.571%0.70673%0.726SS**  175.9166.956.848.20000113.6
709L28.1Very low28.3Very low154 Ų154138 Ų13881%0.80673%0.729SS**  trans58.6141160.9-89.566000119
710L26.6Very low28.3Very low133 Ų133138 Ų13870%0.69673%0.727SS**  cis168.2119.4-37-102.6165.7000107.3
711H27.3Very low28.4Very low164 Ų164141.8 Ų141.876%0.75974%0.737SS**  trans52.9110.6136.1-82.841.7000121.4
712K29.7Very low28.3Very low192 Ų192143 Ų14384%0.83574%0.74SS**  148.4130.1126.8-81160.7-177.1-179.10110.4
713H27.5Very low28.4Very low147 Ų147146.7 Ų146.768%0.68175%0.75SS**  cis68.2119.549.2-154.8-81.8000109.7
714E29Very low28.4Very low166 Ų166147.5 Ų147.578%0.77675%0.754SS**  cis-128166.741.1-65.6161122.400112.4
715L27.8Very low28.7Very low116 Ų116152 Ų15261%0.60777%0.765SS**  cis7484.828.7-95.9176000117.5
716K27.5Very low28.7Very low176 Ų176151.8 Ų151.877%0.76577%0.768SS**  169.1128.9117.5-91.1156.3-174.2170.10115.3
717S34.5Very low28.7Very low133 Ų133150 Ų15093%0.9377%0.773SS**  trans-150.875.4133.1-85.30000108
718S29.7Very low28.9Very low83 Ų83152.1 Ų152.158%0.5878%0.783SS**  trans-108.7143.3175.9-47.10000108.8
719N28.6Very low29Very low160 Ų160155.6 Ų155.686%0.85679%0.793SS**  trans-174.5152.1139.1-99.2-21.7000112.7
720M27.6Very low29.2Very low162 Ų162155.9 Ų155.980%0.79879%0.792SS**SBendtrans64.3115.6173.7-61.7-162.1-61.100117
721M28.7Very low29.2Very low168 Ų168156.3 Ų156.383%0.82880%0.795SS**  cis-140.1133.8-13.7-72.6-168-179.500109.8
722F25.3Very low29.6Very low211 Ų211154.6 Ų154.693%0.92580%0.796SS**  trans-129.177.9175.9-157.1-82.3000108.8
723M28Very low29.4Very low167 Ų167155.9 Ų155.982%0.82380%0.797SS**  trans-153.183.5-177.4-95.4-63.6-147.500109.9
724N28.8Very low29.4Very low166 Ų166155 Ų15589%0.88880%0.797SS**SBendtrans-159.419.3164.2-124.58.1000115.8
725H31.7Very low29.5Very low181 Ų181152 Ų15284%0.83879%0.794SS**SBendtrans-135.230.8179.9-140.4-90.2000113.7
726V30.5Very low29.5Very low123 Ų123153.6 Ų153.675%0.74580%0.803SS**SBendtrans-139.749178.7-162.30000110.1
727S29.5Very low29.5Very low103 Ų103150.1 Ų150.172%0.7280%0.802SS**SBendtrans-144.7-9.1178.4-730000116.7
728E30.7Very low29.3Very low189 Ų189150.1 Ų150.188%0.88379%0.79SS**SBendtrans-92.1-3.7174.8-68.1-170123.200114.5M730E728-M730 VanDerWaalsContact C-N 3.26Å; E728-M730 PolarHBondContact O-N 3.26Å
729L30.8Very low29.3Very low174 Ų174152 Ų15291%0.91179%0.793SS**THydrogen-bonded Turntrans-83.413.8174.5-74.5173.1000114.4
730M32.6Very low29.4Very low159 Ų159149.6 Ų149.678%0.78378%0.781SS**THydrogen-bonded Turntrans-143.522.9-168.6-98.4-71.7-74.100115.8E728E728-M730 VanDerWaalsContact C-N 3.26Å; E728-M730 PolarHBondContact O-N 3.26Å
731N28Very low29.6Very low143 Ų143148.3 Ų148.377%0.76578%0.777SS**SBendtrans-144.4143.8170.7-92.1-51.8000112.6
732V35.1Very low29.8Very low128 Ų128144.8 Ų144.878%0.77677%0.769SS**  trans53.679.1174.5-160.90000114.7
733Y25.3Very low30Very low218 Ų218139.5 Ų139.586%0.85576%0.758SS**  cis21.474.834.5-109.4-82.4000116.4
734N27Very low29.9Very low130 Ų130138.7 Ų138.770%0.69576%0.755SS**  161.6147.7128.6-85.7-55000113.4
735S31.6Very low30Very low101 Ų101138.8 Ų138.871%0.70675%0.751SS**  trans66.8102.5162.9-56.90000117.4
736N27.7Very low30.3Very low150 Ų150135.1 Ų135.180%0.80274%0.743SS**  90140.554.7-75.3-36.4000115
737S27.8Very low30.3Very low104 Ų104134.6 Ų134.673%0.72775%0.745SS**  trans82.8142.3153-68.60000120.8
738I29.3Very low30.5Very low133 Ų133135.7 Ų135.768%0.68275%0.752SS**  cis-170.1148.6-24.3-136170.9000111.1
739N31Very low30.4Very low121 Ų121134.5 Ų134.565%0.64775%0.749SS**  trans65.5156.8153.2-68.6-1.9000120.4
740N31.2Very low30.5Very low111 Ų111133 Ų13359%0.59474%0.742SS**  cis-165.6158.6-7.3-114.2-4.6000114.7
741N31.5Very low30.4Very low134 Ų134131.8 Ų131.872%0.71774%0.737SS**  trans68.4148.4141.9-66.6-6.8000121.6
742S31.8Very low30.4Very low95 Ų95130.8 Ų130.866%0.66474%0.736SS**  cis-175.7157.3-12.851.50000114.4
743S29Very low30.3Very low100 Ų100130.6 Ų130.670%0.69974%0.735SS**  trans79.7146.9149.9-64.30000120.5
744I27.3Very low30.5Very low149 Ų149124.8 Ų124.876%0.76473%0.726SS**  cis130.6133.7-1.6-84.5163.4000109.1
745Q29.6Very low30.7Very low169 Ų169123.5 Ų123.579%0.7973%0.727SS**  cis-160.2171.4-6.6-99.6-81.5-7500109.7
746P38.6Very low30.5Very low103 Ų103126 Ų12667%0.66973%0.731SS**  trans-105.1-179.5-171.641.8-36.2000115.6
747S30.1Very low30.7Very low113 Ų113124.3 Ų124.379%0.7973%0.726SS**  trans-167.4155.3159.951.40000117.9
748S33.4Very low30.7Very low125 Ų125125.1 Ų125.187%0.87472%0.722SS**  trans90.8148.9151.7-64.50000123.2
749M29.3Very low30.7Very low165 Ų165124.6 Ų124.681%0.81372%0.717SS**  trans-116.3168.3-160.2-58.6166.5166.700114.1
750D34Very low30.6Very low143 Ų143127 Ų12777%0.76572%0.722SS**  -175.3156119.8-93.5-7.5000109.8
751I29.5Very low30.4Very low132 Ų132126 Ų12668%0.67772%0.723SS**  cis110.2127.310.1-74.7174.8000113.3
752V29.1Very low30.3Very low123 Ų123125.9 Ų125.975%0.74572%0.722SS**  cis-166.2-171.1-16.472.60000109.8
753T31.8Very low30Very low123 Ų123128.6 Ų128.676%0.75573%0.729SS**  trans98.8149169.968.30000119
754S29.5Very low29.8Very low97 Ų97130.4 Ų130.468%0.67873%0.726SS**  cis179.1168.3-45500000112
755S32.3Very low30.3Very low102 Ų102128.2 Ų128.271%0.71372%0.721SS**  trans82.5151.6155.9-58.70000118.2
756I27.9Very low30Very low155 Ų155129.3 Ų129.380%0.79572%0.72SS**  cis178.5151.7-24.3-110.8157.5000106.4
757V30.3Very low29.5Very low114 Ų114130.3 Ų130.369%0.69172%0.719SS**  cis-172.2-179.2-21.174.90000109
758N29.2Very low29.3Very low121 Ų121132.3 Ų132.365%0.64772%0.716SS**  trans74155.9163.6-89.530.1000119.8
759E28.5Very low29.1Very low121 Ų121132.6 Ų132.657%0.56570%0.703SS**  cis-170.1156.2-32.2-121.5-171.5143.500110
760K28.5Very low29Very low173 Ų173131.3 Ų131.375%0.75270%0.695SS**  trans37.7145.5142.7-75.5170.5-171.7155.70121.3
761S27.4Very low28.6Very low88 Ų88129.8 Ų129.862%0.61568%0.682SS**  cis179.6-179.517.837.50000111.9
762N28.5Very low28.6Very low132 Ų132127.7 Ų127.771%0.70667%0.672SS**  trans88.3120.4161.1-55.9-29.6000116
763L25.7Very low28.6Very low152 Ų152127 Ų12780%0.79667%0.668SS**  74.8137.768.6-90.980.4000112.3
764H26Very low28.6Very low138 Ų138125.9 Ų125.964%0.63966%0.657SS**  cis-156.6154.64.6-170.3-86.7000109.5Y766H764-Y766 AromaticContact CE1-CE2 3.74Å
765P36.6Very low28.6Very low103 Ų103127.8 Ų127.867%0.66966%0.659SS**  trans-84.1170.8176.735.2-39.9000114.3
766Y24.8Very low28.4Very low193 Ų193128 Ų12876%0.75765%0.648SS**  trans-175.4161141.2-103.7-61.3000112.7H764H764-Y766 AromaticContact CE1-CE2 3.74Å
767D27.1Very low28.4Very low124 Ų124124.6 Ų124.666%0.66363%0.631SS**  trans64.7149.7150.6-56.5-12.9000122.9
768E27Very low28.3Very low154 Ų154124.6 Ų124.672%0.7263%0.627SS**  cis-161.3155.7-27.5-113.9-163.4156.900111.9
769H27.6Very low28.4Very low132 Ų132122.4 Ų122.461%0.61162%0.62SS**  trans37.1140.1147-82.8-80.6000126.1
770H28.2Very low28.2Very low137 Ų137122.9 Ų122.963%0.63463%0.626SS**  trans80142.5141.3-67.8164.2000121.2
771F25.8Very low28.2Very low112 Ų112122.8 Ų122.849%0.49163%0.633SS.*  cis-167.9152.6-27.3-123.3-160.6000107.9N564 V565N564-F771 HydrophobicContact CB-CD1 3.73Å; N564-F771 HydrophobicContact CB-CD2 3.95Å; N564-F771 HydrophobicContact CB-CE1 3.68Å; N564-F771 HydrophobicContact CB-CE2 3.91Å; N564-F771 HydrophobicContact CB-CG 3.89Å; N564-F771 HydrophobicContact CB-CZ 3.78Å; N564-F771 VanDerWaalsContact CG-CE2 3.44Å; N564-F771 WeakPolarHBondContact ND2-CD2 3.31Å; N564-F771 WeakPolarHBondContact ND2-CE2 3.34Å; V565-F771 HydrophobicContact CB-CE1 3.87Å; V565-F771 HydrophobicContact CB-CZ 4.33Å; V565-F771 HydrophobicContact CG1-CE1 4.24Å; V565-F771 HydrophobicContact CG2-CE1 4.45Å; V565-F771 HydrophobicContact CG2-CZ 4.43Å
772N29.5Very low28.1Very low88 Ų88124.2 Ų124.247%0.47163%0.632SS.*  trans-101.6169166.5-31.3-105000109.4I562 N563 N564I562-N772 PolarHBondContact O-ND2 2.91Å; N563-N772 PolarHBondContact N-ND2 3.4Å; N563-N772 VanDerWaalsContact N-ND2 3.13Å; N563-N772 CarbonylContact O-C 3.58Å; N563-N772 WeakPolarHBondContact O-CB 3.34Å; N563-N772 PolarHBondContact O-N 3.23Å; N563-N772 PolarHBondContact O-ND2 3.08Å; N564-N772 WeakPolarHBondContact CB-O 3.21Å; N564-N772 PolarHBondContact N-O 2.68Å; N564-N772 VanDerWaalsContact O-O 3.1Å
773T28.3Very low27.9Very low107 Ų107126.1 Ų126.166%0.65664%0.637SS**  trans-138.8113.8152.2-57.50000109.8N564N564-T773 WeakPolarHBondContact O-CA 3.46Å; N564-T773 WeakPolarHBondContact O-CB 3.45Å; N564-T773 WeakPolarHBondContact O-CG2 3.46Å; N564-T773 PolarHBondContact O-OG1 3.13Å
774L31.2Very low27.8Very low101 Ų101124.1 Ų124.153%0.52964%0.635SS.*  trans-80.6171.2165.1-82.7150.2000110.1
775L29.5Very low27.7Very low136 Ų136122.3 Ų122.371%0.71264%0.638SS**  trans159.5109.6130.8-82.5164.2000107.7
776H28.8Very low27.1Very low107 Ų107122.5 Ų122.550%0.49564%0.642SS.*  78.1173.781.9-88.7166.2000114.1N1376 D1377H776-N1376 PolarHBondContact CD2-ND2 2.76Å; H776-N1376 PolarHBondContact CE1-ND2 2.86Å; H776-N1376 PolarHBondContact ND1-ND2 2.78Å; H776-N1376 PolarHBondContact NE2-ND2 3Å; H776-D1377 IonicContact CE1-OD1 3.22Å; H776-D1377 PolarHBondContact CE1-OD1 2.99Å; H776-D1377 VanDerWaalsContact CE1-OD1 3.22Å; H776-D1377 IonicContact NE2-OD1 3.35Å
777I27.5Very low27Very low83 Ų83118.5 Ų118.543%0.42664%0.641SS.*  trans75.9129.8173.5-55.7113.7000114S1374 L1375I777-S1374 WeakPolarHBondContact CD1-OG 3.41Å; I777-L1375 HydrophobicContact CB-CD2 4.16Å; I777-L1375 HydrophobicContact CD1-CB 4.4Å; I777-L1375 HydrophobicContact CG1-CB 3.52Å; I777-L1375 HydrophobicContact CG1-CD1 4.06Å; I777-L1375 HydrophobicContact CG1-CD2 3.81Å; I777-L1375 HydrophobicContact CG1-CG 3.99Å; I777-L1375 HydrophobicContact CG2-CD1 3.81Å; I777-L1375 HydrophobicContact CG2-CD2 4.01Å; I777-L1375 HydrophobicContact CG2-CG 4.39Å
778N28.8Very low26.9Very low114 Ų114119.2 Ų119.261%0.6164%0.644SS**  cis-145131.611.4-162.8-15000112.4L1375N778-L1375 HydrophobicContact CB-CD2 4.4Å; N778-L1375 WeakPolarHBondContact OD1-CD2 3.11Å
779P30.4Very low26.8Very low76 Ų76118.9 Ų118.949%0.49464%0.641SS.*  trans-98.888.6172.435.6-29.5000112.7
780N24.5Very low26.6Very low130 Ų130116.9 Ų116.970%0.69563%0.634SS**  trans-17695.2158.5-99-43000112.6
781L29.5Very low26.5Very low171 Ų171113.1 Ų113.190%0.89562%0.624SS**  trans-16987.8161.9-103.4147.3000105.8
782I24.5Very low26.4Very low118 Ų118114.9 Ų114.961%0.60564%0.637SS**  72.5105.164.2-56176.1000111.9
783E24Very low26.2Very low172 Ų172114.2 Ų114.280%0.80464%0.637SS**  trans71.4149154.5-67.8176138.600122.5
784S23.8Very low26.1Very low110 Ų110117.1 Ų117.177%0.76964%0.637SS**  trans79.2151.4158.178.20000120
785S25.5Very low25.8Very low100 Ų100114.9 Ų114.970%0.69963%0.625SS**  trans67.1108.2176.9-430000114.5
786S23.1Very low25.6Very low107 Ų107115.2 Ų115.275%0.74862%0.623SS**  cis57.8109.317.7780000115.6
787C22.7Very low25.4Very low109 Ų109113.7 Ų113.774%0.73662%0.618SS**  trans55.5158.9-174.956.20000114.1
788L23.8Very low25.3Very low139 Ų139114.2 Ų114.273%0.72863%0.63SS**  cis-153.6155.236.8-76160.8000112.8
789F25.2Very low25.2Very low148 Ų148114.5 Ų114.565%0.64964%0.636SS**  trans61.6101.8141-81.1-114.5000122.5A132A132-F789 HydrophobicContact CB-CD1 3.71Å; A132-F789 HydrophobicContact CB-CE1 3.54Å; A132-F789 HydrophobicContact CB-CG 4.46Å; A132-F789 HydrophobicContact CB-CZ 4.16Å
790D24.5Very low25Very low89 Ų89115.9 Ų115.948%0.47664%0.639SS.*  -18.5143.3116-99.7-8.3000117.6L131 A132L131-D790 WeakPolarHBondContact CA-OD2 3.3Å; L131-D790 HydrophobicContact CB-CB 3.94Å; L131-D790 HydrophobicContact CD2-CB 4.45Å; L131-D790 WeakPolarHBondContact CD2-OD1 3.17Å; A132-D790 HydrophobicContact CB-CB 3.98Å; A132-D790 VanDerWaalsContact N-CB 3.29Å; A132-D790 PolarHBondContact N-OD2 3.46Å
791S24.9Very low25Very low59 Ų59117.5 Ų117.541%0.41364%0.64SS.*  trans70.2133164.8-130.40000115.9L131L131-S791 WeakPolarHBondContact CD1-OG 3.26Å
792L24.3Very low24.9Very low148 Ų148115.6 Ų115.678%0.77563%0.63SS**  cis-158.6165.446.6-80.6163.1000112.3
793V25.8Very low25Very low75 Ų75114.2 Ų114.246%0.45562%0.623SS.*  trans26.4112.3134.5-1730000116.7
794Y25.1Very low25.3Very low168 Ų168110.5 Ų110.566%0.65961%0.606SS**  54.8168.274.9-74.3-88.9000114N1409 E1410 S1411Y794-N1409 CarbonylContact C-O 3.45Å; Y794-N1409 VanDerWaalsContact O-O 3.05Å; Y794-E1410 WeakPolarHBondContact CB-O 3.26Å; Y794-S1411 WeakPolarHBondContact CB-O 3.35Å; Y794-S1411 WeakPolarHBondContact CD1-O 3.31Å
795N25.9Very low25.4Very low53 Ų53109 Ų10928%0.28359%0.589SS.*  cis-146.4179-6.4-167.321.6000109N1409 E1410 S1411N795-N1409 PolarHBondContact N-O 2.66Å; N795-E1410 HydrophobicContact CB-CB 3.5Å; N795-S1411 WeakPolarHBondContact CB-O 3.18Å; N795-S1411 PolarHBondContact ND2-O 3.44Å; N795-S1411 PolarHBondContact OD1-O 2.99Å
796Q25.9Very low25.6Very low143 Ų143108.4 Ų108.467%0.66858%0.578SS**  -168.5153.1107-107.6-177.3-8.200115.1E1410Q796-E1410 WeakPolarHBondContact CG-OE2 3.33Å; Q796-E1410 PolarHBondContact NE2-OE2 2.85Å
797N24.5Very low25.9Very low75 Ų75109.1 Ų109.140%0.40157%0.573SS.*  trans-52.7152.1176.1-43.8-60.2000111E1410N797-E1410 PolarHBondContact ND2-OE1 3.37Å
798S25.6Very low26.1Very low95 Ų95111 Ų11166%0.66458%0.577SS**  -175138.574.9-69.40000112.9
799T25.8Very low26.3Very low120 Ų120109.7 Ų109.774%0.73657%0.574SS**  trans58.5156.7138.277.40000118.8
800D25.1Very low26.4Very low105 Ų105108.4 Ų108.456%0.56158%0.578SS**  cis-153.616029.3-120.6-42.8000117.8
801F25.7Very low26.5Very low163 Ų163108.9 Ų108.972%0.71559%0.587SS**  trans56.2118.9148.6-66.6-43.3000125.1
802I26.2Very low26.6Very low132 Ų132113.7 Ų113.768%0.67760%0.603SS**  85.9104.7121.6-72.6170.6000117.6
803N27.5Very low26.6Very low88 Ų88115.1 Ų115.147%0.47161%0.608SS.*  91.7140.480.3-123.4-5.9000110.8
804H30.1Very low26.7Very low94 Ų94118.9 Ų118.944%0.43563%0.625SS.*  cis-156.2148.225.3-114.4-57.1000109.3L887H804-L887 HydrophobicContact CB-CD1 3.27Å; H804-L887 HydrophobicContact CB-CD2 3.59Å; H804-L887 HydrophobicContact CB-CG 3.74Å; H804-L887 WeakPolarHBondContact O-CD1 3.32Å
805N27.1Very low26.7Very low78 Ų78116.1 Ų116.142%0.41763%0.63SS.*  34.7149.2120.1-61.74.5000122.4S888N805-S888 PolarHBondContact O-OG 3.41Å
806N28.3Very low26.7Very low88 Ų88121.9 Ų121.947%0.47166%0.659SS.*  cis-166.3151.1-20.3-110.1-14.8000110.8S889N806-S889 PolarHBondContact O-OG 2.9Å
807N29Very low26.6Very low122 Ų122120.3 Ų120.365%0.65266%0.664SS**  trans24.8137.4134.6-47.9-18.4000120.2
808N28.4Very low26.6Very low150 Ų150125.1 Ų125.180%0.80268%0.684SS**  -177.3145.4116.9-96.1-0.5000111.5
809V28.4Very low26.6Very low111 Ų111125.1 Ų125.167%0.67369%0.685SS**  cis-166.3136.1-14870000110.6
810V27Very low26.7Very low121 Ų121124.3 Ų124.373%0.73368%0.679SS**  trans60.1157.6144.8169.40000117.1
811C25.7Very low26.9Very low99 Ų99125.4 Ų125.467%0.66969%0.692SS**  cis-140.6174.315.37.40000110.4
812H26.3Very low26.9Very low160 Ų160126.8 Ų126.874%0.74169%0.693SS**SBendcis-144.8136.11.7-103.4-65.7000109.1
813M25Very low26.9Very low178 Ų178126.4 Ų126.488%0.87769%0.691SS**  trans174.4111.4132-95.4-56.8175.200107
814N27.6Very low26.8Very low153 Ų153127.4 Ų127.482%0.81870%0.697SS**  trans-93.4130-172.7-71.1-9.9000111
815S25.9Very low26.7Very low110 Ų110128 Ų12877%0.76970%0.703SS**  trans-91.6161.2170.4-52.90000111.6
816I25Very low26.8Very low174 Ų174131.2 Ų131.289%0.89272%0.716SS**  trans76.479.2164.6-45.3177.9000116.3
817S23.7Very low26.9Very low111 Ų111132.6 Ų132.678%0.77672%0.721SS**  trans-154.3136.8141.756.80000104.6
818E25.4Very low26.8Very low175 Ų175129.8 Ų129.882%0.81871%0.712SS**  cis-142.913328.4-75.4178.4127.100109.5
819S26.3Very low26.8Very low96 Ų96127.6 Ų127.667%0.67170%0.704SS**  59.4118.999.189.70000117.8
820T26.5Very low26.7Very low102 Ų102128.7 Ų128.763%0.62671%0.705SS**  trans-2136.713852.80000117R822T820-R822 HydrophobicContact CG2-CB 3.84Å; T820-R822 HydrophobicContact CG2-CG 4.33Å
821P30.7Very low26.7Very low129 Ų129127.2 Ų127.284%0.83870%0.7SS**  -101.6139.954.831.6-34.5000113.9
822R24.6Very low26.8Very low191 Ų191127.9 Ų127.972%0.72171%0.707SS**  cis70.6121.322-153.8-148.6178.9-176.3-0.7113.6T820T820-R822 HydrophobicContact CG2-CB 3.84Å; T820-R822 HydrophobicContact CG2-CG 4.33Å
823L25.9Very low26.8Very low124 Ų124128.7 Ų128.765%0.64971%0.714SS**  trans73.3140.6171.9-41.2-178.9000113.8
824N26.8Very low26.9Very low110 Ų110125.6 Ų125.659%0.58871%0.71SS**  cis-159.3168.3-6.7-119.420000110.8
825D28.1Very low27Very low106 Ų106124.6 Ų124.657%0.56771%0.71SS**  trans47138.4133.2-53.3-3.4000120.2
826H29.1Very low27.1Very low146 Ų146127.2 Ų127.268%0.67671%0.714SS**  cis-178.9172.7-0.5-112.9-23.3000109.5
827I29.8Very low27.4Very low116 Ų116123.7 Ų123.760%0.59570%0.702SS**  trans64.189.3140.8-67.6164.1000117.4
828S26.7Very low27.6Very low64 Ų64125.5 Ų125.545%0.44870%0.701SS.*  91136.7107.2-69.80000122.9H117 D118H117-S828 CarbonylContact C-O 3.6Å; D118-S828 PolarHBondContact N-O 3.47Å
829V27.5Very low27.9Very low104 Ų104124.2 Ų124.263%0.6370%0.698SS**  7.6149.2128.2-68.10000118.9
830D26.2Very low28.2Very low133 Ų133124.2 Ų124.271%0.71170%0.698SS**  cis-157.8160.540-140.4-16.1000118.6
831S28.2Very low28.7Very low90 Ų90124.5 Ų124.563%0.62971%0.705SS**  trans15139.3147.6-650000123.8
832S27.5Very low29.1Very low114 Ų114123.7 Ų123.780%0.79770%0.699SS**  trans61.5112.1135.767.20000120.3
833I25.7Very low29.7Very low176 Ų176119.9 Ų119.990%0.90370%0.702SS**  trans-100.3109.4160.2-61174000109.7
834S28.7Very low30.4Very low114 Ų114118.7 Ų118.780%0.79770%0.704SS**  178.1112.3129.655.80000111.2
835T28Very low30.9Very low131 Ų131118.8 Ų118.880%0.80471%0.713SS**  trans-95.9144.7-173.7-48.50000112.9
836I28.3Very low31.2Very low166 Ų166118.6 Ų118.685%0.85172%0.72SS**  trans-125.7140158.4-67.9-176.4000106.9
837P30.8Very low31.5Very low99 Ų99116.3 Ų116.364%0.64372%0.721SS**  trans-110.3-178.3-135.941.3-37.5000115.3
838I29.8Very low31.6Very low150 Ų150115.7 Ų115.777%0.76973%0.727SS**  trans-174.6113.7130.9-96.1153.5000114.6
839I30.2Very low31.9Very low147 Ų147118 Ų11875%0.75474%0.743SS**  trans69.4126.8138.2-55.8178.1000123.8
840S32.4Very low32.2Very low96 Ų96121.6 Ų121.667%0.67176%0.758SS**  trans84.187.9149.262.10000125.6
841S37.8Very low32.4Very low108 Ų108123.7 Ų123.776%0.75576%0.761SS**  47.6158.9109.765.70000124.4
842P38.8Very low32.5Very low112 Ų112126.7 Ų126.773%0.72777%0.77SS**  cis-145.4-174.4-34.441.5-22.7000116.8
843S38.1Very low32.9Very low111 Ų111125.2 Ų125.278%0.77677%0.773SS**  trans75.4147.2158.669.90000120.3
844S39Very low33.2Very low100 Ų100124.8 Ų124.870%0.69977%0.769SS**  cis-175.6142.2-1450.60000114.5
845S37.7Very low33.6Very low111 Ų111125.1 Ų125.178%0.77676%0.761SS**  trans58.6152154.954.60000121.7
846S35.7Very low33.8Very low102 Ų102125.8 Ų125.871%0.71376%0.755SS**  cis-173.4163.3-18.856.10000113.2
847S35Very low34Very low98 Ų98124.5 Ų124.569%0.68575%0.745SS**  trans66103.7147.559.40000124.5
848S31.9Very low33.9Very low104 Ų104126.4 Ų126.473%0.72775%0.749SS**  56115123.766.30000125
849S32.8Very low33.9Very low111 Ų111125 Ų12578%0.77675%0.748SS**  trans36.3132.6131.365.30000123.6
850L32.9Very low34Very low180 Ų180125.7 Ų125.794%0.94275%0.752SS**  trans-162.4179.5142.7-114.3172.2000113.9
851F30.8Very low34Very low178 Ų178126.8 Ų126.878%0.78176%0.757SS**  trans-106.6174-158.8-136.1-101.8000115
852N31.6Very low33.5Very low153 Ų153125.9 Ų125.982%0.81875%0.751SS**  trans92146.4162.6-51-67.6000119.9
853G34.2Very low33Very low83 Ų83127.8 Ų127.886%0.85676%0.755SS**  trans159.159.3167.800000118.3
854M32.4Very low32.6Very low166 Ų166127.5 Ų127.582%0.81875%0.753SS**  trans-86.5139.4177.7176.9-172.875.400112.8
855L36.6Very low32.1Very low122 Ų122127.1 Ų127.164%0.63975%0.75SS**  trans178.5126.7135.9-119.374.5000115.5
856Q33.1Very low31.8Very low144 Ų144129.5 Ų129.567%0.67375%0.753SS**  58.9153.7125.9-72.3179.630.800122
857Q31.4Very low31.5Very low140 Ų140127 Ų12765%0.65474%0.736SS**  cis-163.7150.37.3-125.3-175.415.500112.2
858L29.1Very low31.2Very low138 Ų138126.2 Ų126.272%0.72373%0.731SS**  trans60.9153.6150.1-52.7171.1000120
859T29.6Very low31.1Very low122 Ų122125.8 Ų125.875%0.74872%0.719SS**  cis-163154.8-16.418.50000110.4
860L33Very low31Very low161 Ų161124.7 Ų124.784%0.84371%0.712SS**  trans-84.6166.8166.8-61.680.4000111.3
861P32.4Very low30.9Very low119 Ų119121 Ų12177%0.77370%0.7SS**  -156.414094.839.1-19.2000119.4
862S28.4Very low30.8Very low88 Ų88119 Ų11962%0.61570%0.696SS**  trans33.9136.4136.569.60000126.1
863N27.6Very low30.7Very low153 Ų153116.9 Ų116.982%0.81869%0.69SS**  trans67.4164.4133.7-61.93.6000119.2
864S29.1Very low30.4Very low104 Ų104120.9 Ų120.973%0.72769%0.686SS**  cis178.3161.7-20.554.60000108.6
865S29.6Very low30.3Very low93 Ų93117 Ų11765%0.6568%0.679SS**  cis178.9166-20.858.20000109.7
866L29.9Very low30Very low160 Ų160117.1 Ų117.184%0.83869%0.686SS**  trans68.1161.6166.3-62.8164.5000116.6
867S30Very low29.9Very low51 Ų51115 Ų11536%0.35769%0.687SS.*  cis-163.4-157.3-2254.10000113.6T1530S867-T1530 WeakPolarHBondContact OG-CA 3.16Å; S867-T1530 PolarHBondContact OG-N 2.79Å
868S30.1Very low29.8Very low81 Ų81114.4 Ų114.457%0.56669%0.693SS**  trans-88.7-148.5-146.451.80000120.4T1530 T1531S868-T1530 WeakPolarHBondContact O-CB 3.37Å; S868-T1530 WeakPolarHBondContact O-CG2 3.43Å; S868-T1530 WeakPolarHBondContact OG-CG2 3.37Å; S868-T1531 WeakPolarHBondContact O-CG2 3.27Å
869I28.5Very low29.8Very low94 Ų94113.1 Ų113.148%0.48269%0.691SS.*  trans79.9144.5169.1-73.6177.7000118.7T1530 T1531I869-T1530 HydrophobicContact CB-CG2 3.96Å; I869-T1530 HydrophobicContact CD1-CG2 3.67Å; I869-T1530 HydrophobicContact CG1-CG2 3.81Å; I869-T1531 HydrophobicContact CB-CG2 4.09Å; I869-T1531 HydrophobicContact CG2-CG2 4.04Å
870S31.1Very low29.8Very low89 Ų89114.1 Ų114.162%0.62269%0.692SS**  cis-171.8-175.7-28.872.70000112.4
871S30.7Very low29.6Very low101 Ų101112.2 Ų112.271%0.70669%0.687SS**  trans79.7152.2153.5-60.10000119.5
872I28.3Very low29.6Very low136 Ų136111.4 Ų111.470%0.69768%0.684SS**  cis-164.5139.6-9.3-117.8169.1000113.8
873T29Very low29.6Very low110 Ų110111.9 Ų111.968%0.67569%0.687SS**  trans60.5171.1157.366.90000120.8
874H29.6Very low29.5Very low167 Ų167110.2 Ų110.277%0.77369%0.686SS**  cis-154.61518.8-120.3-55.2000112.4
875A29.9Very low29.3Very low83 Ų83114.4 Ų114.469%0.68669%0.691SS**  trans64.5151.815100000120.5
876T29.9Very low29.1Very low126 Ų126116 Ų11677%0.77369%0.692SS**  cis-164147.3-16.521.80000109.8
877S29.9Very low28.9Very low100 Ų100113.2 Ų113.270%0.69968%0.677SS**  trans3913015459.30000121.6
878T29.9Very low28.7Very low127 Ų127113.7 Ų113.778%0.77968%0.68SS**  cis-157.5-140.8-3.6250000106.8
879T30.5Very low28.6Very low111 Ų111113.6 Ų113.668%0.68168%0.679SS**  cis-164.5146.97-26.30000112
880N28.9Very low28.5Very low143 Ų143117.5 Ų117.577%0.76570%0.7SS**  trans50.3114.2157.3-73.58.7000123.4
881V29.2Very low28.2Very low121 Ų121116.1 Ų116.173%0.73370%0.7SS**  trans67.598.2136-173.40000116.5
882S31.4Very low28Very low102 Ų102120.5 Ų120.571%0.71371%0.706SS**  89.2141.252.5-71.20000113.6
883S29.2Very low27.9Very low98 Ų98124.6 Ų124.669%0.68571%0.714SS**  cis-171.2161-8.6-93.60000108.3
884C24.8Very low28Very low118 Ų118127.3 Ų127.380%0.79772%0.719SS**  cis-161.8124.9-23-103.80000107.6
885K25.3Very low27.9Very low192 Ų192124.4 Ų124.484%0.83572%0.715SS**  trans-108.3144.2158.4-78.1-175.9176.9179.60107.4
886L25.4Very low27.7Very low127 Ų127125.9 Ų125.967%0.66571%0.712SS**  trans60.9117161.9-63.1167000114.3
887L25.4Very low27.6Very low101 Ų101127 Ų12753%0.52971%0.711SS.*  178.8159.961-147.168.6000115.9H804H804-L887 HydrophobicContact CB-CD1 3.27Å; H804-L887 HydrophobicContact CB-CD2 3.59Å; H804-L887 HydrophobicContact CB-CG 3.74Å; H804-L887 WeakPolarHBondContact O-CD1 3.32Å
888S26.9Very low27.5Very low60 Ų60126.7 Ų126.742%0.4271%0.709SS.*  trans30.9113.7148.6-80.90000121.6N805N805-S888 PolarHBondContact O-OG 3.41Å
889S27.8Very low27.5Very low79 Ų79124.8 Ų124.855%0.55270%0.701SS**  44.7113.4123.2-46.40000121.4N806N806-S889 PolarHBondContact O-OG 2.9Å
890I25.2Very low27.5Very low177 Ų177125.5 Ų125.591%0.90870%0.7SS**  -174.4135.4121.7-98.6155.8000111.8
891G25.3Very low27.6Very low60 Ų60126 Ų12662%0.61970%0.698SS**  trans100.8103.1132.900000121.4
892K27.2Very low27.5Very low193 Ų193129.8 Ų129.884%0.83971%0.705SS**  trans77.1128.6132.7-60.4-179.5-178.5-179.20121.1
893Y25.1Very low27.4Very low221 Ų221130.3 Ų130.387%0.86770%0.699SS**  trans66105.6139.5-83.5-106.6000120.2
894Q30.6Very low27.3Very low167 Ų167132.3 Ų132.378%0.7870%0.702SS**  trans-12153138.8-116.2-171.84.100117.8
895P28.4Very low27.4Very low106 Ų106134.5 Ų134.569%0.68870%0.702SS**  -145.315674.140.2-24000118.4
896N25.3Very low27.5Very low115 Ų115130.5 Ų130.562%0.61569%0.694SS**  trans69.6119.3139.1-67.85.2000120.5
897I28.1Very low27.5Very low149 Ų149133.4 Ų133.476%0.76470%0.704SS**  77.1133.190.2-69.3166.8000111.7
898S28.2Very low27.6Very low94 Ų94134 Ų13466%0.65772%0.717SS**  cis-144.4143.713.4-1400000109.5
899S28.9Very low27.5Very low86 Ų86135.9 Ų135.960%0.60173%0.729SS**  71.3152.299.984.50000115.1
900D30.3Very low27.4Very low126 Ų126136.3 Ų136.367%0.67473%0.732SS**  cis-137.1165.916.5-78.1-76000113.5
901E32.2Very low27.8Very low154 Ų154133.9 Ų133.972%0.7273%0.727SS**  trans44.3117146.9-67.8178.7139.900119.3
902F26.5Very low28.1Very low201 Ų201137.2 Ų137.288%0.88274%0.741SS**  49.9143.751.3-89-98.5000112.8
903I29.1Very low28.2Very low113 Ų113133.2 Ų133.258%0.57974%0.738SS**  179.9140.180.5-87.3-173.5000107.7
904N27.7Very low28.5Very low139 Ų139127.5 Ų127.574%0.74373%0.73SS**  trans64.4148.3158-69.42.5000120
905M27.7Very low28.3Very low164 Ų164125.7 Ų125.781%0.80873%0.731SS**  cis-133.5141.9-8.6-55-179.4-88.500106.9
906T25.7Very low28.2Very low109 Ų109126.5 Ų126.567%0.66974%0.737SS**  55.2113.652.561.50000115.9
907E25.8Very low28.3Very low188 Ų188128.1 Ų128.188%0.87974%0.744SS**  trans53.2118.8152.5-58.1-178.7117.200120.2
908S27.6Very low28.2Very low113 Ų113128.5 Ų128.579%0.7975%0.747SS**  176.8163109.745.50000113.2
909C24.6Very low28.2Very low99 Ų99127.3 Ų127.367%0.66974%0.739SS**  trans26.2124.7150.5-65.90000119.5
910S26.8Very low28.4Very low89 Ų89132.5 Ų132.562%0.62275%0.754SS**  123.7147.251.1-82.90000106.4
911P33.8Very low28.3Very low125 Ų125131.3 Ų131.381%0.81275%0.751SS**  trans-87141.4-174.634-34.4000113.4
912S30.1Very low28.2Very low130 Ų130132.4 Ų132.491%0.90976%0.756SS**  trans-158.7165.6162.5-84.90000112.1
913S30.2Very low28.3Very low109 Ų109125.8 Ų125.876%0.76274%0.744SS**  trans-87.3179.8-162.656.20000115.9
914S31.1Very low28.4Very low101 Ų101130.2 Ų130.271%0.70676%0.759SS**  trans91.882.1153-500000119.4
915T27.5Very low28.4Very low129 Ų129130.5 Ų130.579%0.79176%0.761SS**  trans28.3104.1133.753.50000120.8
916C25.4Very low28.5Very low123 Ų123132 Ų13283%0.83177%0.766SS**  trans-143.5119.3137.2-86.80000106.6
917I27.1Very low29Very low149 Ų149132.3 Ų132.376%0.76477%0.772SS**  73.88667.4-61.1180000113.1
918L26.5Very low29Very low157 Ų157131 Ų13182%0.82277%0.77SS**  75.6141.2122.1-150.579.6000122.2
919S27.4Very low29Very low70 Ų70131.1 Ų131.149%0.4977%0.767SS.*  trans92.698.9139-105.90000121.7
920Q33.5Very low29.3Very low195 Ų195132.7 Ų132.791%0.91177%0.773SS**  -175.7106.4117.1-95148.574.900108.1
921V29.2Very low29.3Very low100 Ų100134.3 Ų134.361%0.60677%0.774SS**  cis89.6137.117.9-165.40000115.1
922H29.3Very low29.1Very low178 Ų178136.3 Ų136.382%0.82478%0.777SS**  trans76.4145.7-176-60.5-74.7000117
923G28.1Very low29.1Very low61 Ų61133.6 Ų133.663%0.62977%0.771SS**  cis-123.6-179.5-7.100000111.8
924F31.6Very low29.1Very low207 Ų207136.5 Ų136.591%0.90877%0.774SS**  cis-131.9156.725.2-88.9-103.6000113.8
925N28.2Very low29.1Very low145 Ų145136.9 Ų136.978%0.77577%0.768SS**  trans-118.8136.4163.8-86.8-24.7000108.7
926E29.1Very low29.1Very low196 Ų196138.3 Ų138.392%0.91676%0.76SS**  trans167.5137.1149.5-96.5167.1-17500106.7
927S35.8Very low29.3Very low115 Ų115140.2 Ų140.280%0.80476%0.755SS**  cis-131.7144.927.2-53.90000113.7
928L27.2Very low29.4Very low160 Ų160138.5 Ų138.584%0.83875%0.751SS**  trans-97.2179.1162.9-116.780000110.7
929T26.3Very low29.6Very low116 Ų116137.8 Ų137.871%0.71275%0.748SS**  trans78.492.1166.869.70000119
930T31.5Very low29.8Very low132 Ų132142.2 Ų142.281%0.8177%0.766SS**  -171.896.4128.4-72.60000105.7
931I27.3Very low29.6Very low123 Ų123139.4 Ų139.463%0.63176%0.758SS**  80.8114.271.2-67.5167.1000112.3
932N29.8Very low29.6Very low166 Ų166142.7 Ų142.789%0.88876%0.759SS**  trans65.6143175.4-48.8-24.5000115.5
933G29Very low29.7Very low74 Ų74139.8 Ų139.876%0.76375%0.748SS**  cis-175.2168.9-4.600000107.3
934M31.1Very low29.7Very low169 Ų169143.6 Ų143.683%0.83376%0.755SS**  cis-150.6149.720.7-167.179.9167.900109.8
935D30Very low29.5Very low109 Ų109141.4 Ų141.458%0.58375%0.747SS**  trans-76.6167.8179.9-15.4-98.1000111.9
936Y28.3Very low29.6Very low160 Ų160139 Ų13963%0.62774%0.737SS**  171.9169.182.2-86.2-67.3000108.6
937F28.8Very low29.5Very low163 Ų163136.2 Ų136.272%0.71573%0.728SS**  cis-150.5150.61.3-124.2-54.1000109.3
938T29.7Very low29.1Very low113 Ų113138.3 Ų138.369%0.69373%0.725SS**  trans-80.1163.3154.651.90000110.7
939N31.1Very low29.1Very low141 Ų141135.9 Ų135.975%0.75472%0.716SS**  -175.6158.8115.1-91.9-6000114.7
940N30.7Very low29.1Very low163 Ų163135.9 Ų135.987%0.87272%0.716SS**  trans-100.9176.8178.6-85.9-58.2000112.2
941N30.3Very low28.9Very low137 Ų137136 Ų13673%0.73371%0.712SS**  trans-63.5156.2-172.8-86.2-66.8000117.4
942R28.2Very low28.9Very low169 Ų169138.8 Ų138.864%0.63872%0.722SS**  trans92127.1139.2-91.2179.6157.3-159.3-8.8121.9
943I30.6Very low28.9Very low116 Ų116134 Ų13460%0.59571%0.712SS**  trans87.8119.9132.1-76.4168.6000118.7
944D28.1Very low28.9Very low142 Ų142137.4 Ų137.476%0.75971%0.713SS**  trans57.6144.4144.1-61.67.1000120.3
945E27.6Very low28.9Very low160 Ų160135.1 Ų135.175%0.74870%0.704SS**  cis-164.7-178.5-17.8-154.5-165.5-146.500107.7
946T30.8Very low28.9Very low94 Ų94135.8 Ų135.858%0.57771%0.708SS**  trans66.2103.4140.4-75.40000120.8
947I27.4Very low29Very low138 Ų138135.7 Ų135.771%0.70871%0.713SS**  trans78.8109.8134.1-65.4-177.6000120.6
948H26.7Very low29.2Very low160 Ų160132.2 Ų132.274%0.74171%0.709SS**  trans47.4126.4134.3-72.1-88.6000123.8
949T26.7Very low29.2Very low108 Ų108133.9 Ų133.966%0.66371%0.713SS**  trans70115.9132.259.70000121.7
950T26.9Very low29.2Very low116 Ų116134.2 Ų134.271%0.71272%0.715SS**  trans68.9131.3132.360.10000121.3
951N27.6Very low29.2Very low135 Ų135131.9 Ų131.972%0.72271%0.707SS**  trans75.5131.3144.5-66-11.6000120.1
952H27.9Very low29.1Very low181 Ų181132.8 Ų132.884%0.83871%0.709SS**  trans45.797.6144.4-61.6-50.7000118.6
953G29.9Very low29.3Very low67 Ų67129.9 Ų129.969%0.69171%0.71SS**  105.9139.986.700000117.4
954N29.2Very low29.3Very low144 Ų144131.1 Ų131.177%0.7772%0.717SS**  trans58.9121.9155.3-76.515000119.7
955N30.2Very low29.4Very low121 Ų121131.2 Ų131.265%0.64772%0.718SS**  82.8103.2129.7-62.13.9000119.1
956N31Very low29.6Very low123 Ų123129.3 Ų129.366%0.65872%0.718SS**  96.8151113.4-68.73.8000120.2
957H30.5Very low29.6Very low159 Ų159130.6 Ų130.674%0.73673%0.725SS**  trans79.894.4149.2-69.5-42.1000119.6
958S31.7Very low29.7Very low90 Ų90129.9 Ų129.963%0.62973%0.727SS**  84.9116.1109.3-59.10000117.5
959N29.6Very low30Very low147 Ų147127.1 Ų127.179%0.78672%0.722SS**  24.3115119.5-51.63.5000115.9
960N31.4Very low30.2Very low149 Ų149128 Ų12880%0.79772%0.723SS**  -161.2131.1109.8-105-17000114.9
961T30.7Very low30.6Very low113 Ų113128.1 Ų128.169%0.69372%0.719SS**  trans36.9138.8140.327.50000123.8
962M28.8Very low30.8Very low157 Ų157129.1 Ų129.177%0.77372%0.724SS**  trans97.8143.6133.7-82.8173.968.900121.4
963T32.7Very low31.1Very low108 Ų108126.2 Ų126.266%0.66372%0.724SS**  trans64.3107.1156.444.80000119.2
964N29.1Very low31.2Very low141 Ų141130.7 Ų130.775%0.75473%0.727SS**  19.4116.7123.1-49.311.3000116.4
965D30.1Very low31.4Very low144 Ų144131.4 Ų131.477%0.7773%0.731SS**  178.8168.390.2-96.3-32.7000112.8
966T32.9Very low31.7Very low121 Ų121132.6 Ų132.674%0.74274%0.737SS**  trans67.1109.9157.4380000121.9
967T31.6Very low31.9Very low121 Ų121134 Ų13474%0.74274%0.744SS**  7997.2128.954.20000123.9
968T29.3Very low32.2Very low122 Ų122132.2 Ų132.275%0.74875%0.75SS**  81.6139.7117.2-29.60000122.3
969T32.5Very low32.4Very low102 Ų102133.6 Ų133.663%0.62676%0.755SS**  trans96.9114.8159.371.30000120.3
970N30.1Very low32.6Very low127 Ų127132.9 Ų132.968%0.67975%0.75SS**  trans55.6117.1138.6-54.21.8000120.6
971N35Very low32.9Very low119 Ų119132.1 Ų132.164%0.63674%0.744SS**  -168.9156.694.2-92.4-39.6000113.8
972N32.5Very low33.1Very low156 Ų156131.9 Ų131.983%0.83474%0.744SS**  trans-81.9148.5-170-48.5-63.6000114.3
973S35.3Very low33.4Very low119 Ų119127.8 Ų127.883%0.83274%0.742SS**  -158.8161121.4-157.60000111.6
974H31.8Very low34Very low162 Ų162128.5 Ų128.575%0.7575%0.747SS**  trans-74.3137.5-156-62-51.3000116.9
975N33.7Very low34.5Very low159 Ų159124.4 Ų124.485%0.8574%0.738SS**  trans-145.295.2152.8-121.4-13.4000108.2
976N36.2Very low35.8Very low145 Ų145125.5 Ų125.578%0.77574%0.744SS**  trans-108.788.8-177-83.98.9000111.4S978N976-S978 PolarHBondContact O-N 2.87Å
977N35.5Very low37.6Very low152 Ų152129.1 Ų129.181%0.81375%0.745SS**  trans-71115.7156.5-72.3-29.4000108.4T979N977-T979 VanDerWaalsContact C-N 3.35Å; N977-T979 PolarHBondContact O-N 3.41Å
978S35.3Very low39.8Very low122 Ų122124.6 Ų124.685%0.85372%0.718SS**  trans-76.989.6166.1-72.90000109.4N976N976-S978 PolarHBondContact O-N 2.87Å
979T36.1Very low42.6Very low120 Ų120121.1 Ų121.174%0.73670%0.699SS**  trans-51138.6175.9-61.20000112.1N977 I981N977-T979 VanDerWaalsContact C-N 3.35Å; N977-T979 PolarHBondContact O-N 3.41Å; T979-I981 PolarHBondContact O-N 2.79Å
980I34.2Very low45.3Very low131 Ų131119 Ų11967%0.67269%0.692SS**  trans-62115.6179.5-59.4169000110.1P982I980-P982 WeakPolarHBondContact O-CD 3.25Å
981I37.3Very low48.3Very low134 Ų134117.9 Ų117.969%0.68769%0.686SS**  trans-97.6103.6161.1-59.5179.1000107.3T979 G983T979-I981 PolarHBondContact O-N 2.79Å; I981-G983 PolarHBondContact O-N 2.8Å
982P34.5Very low51.1Low107 Ų107115.8 Ų115.870%0.69567%0.674SS**THydrogen-bonded Turntrans-76.892-178.331.2-33.4000110.4I980I980-P982 WeakPolarHBondContact O-CD 3.25Å
983G36.4Very low54Low71 Ų71108.5 Ų108.573%0.73264%0.635SS**THydrogen-bonded Turntrans175.9-15.7174.500000118.5I981I981-G983 PolarHBondContact O-N 2.8Å
984T45.5Very low56.9Low124 Ų124106.5 Ų106.576%0.76161%0.613SS**SBendtrans-118.562.4-165.956.50000115.6
985G38.4Very low59.9Low55 Ų55104.2 Ų104.257%0.56761%0.605SS**  trans53.785.5150.300000118.8Y987G985-Y987 PolarHBondContact O-N 3.4Å
986D57.5Low62.9Low167 Ų16797.4 Ų97.489%0.89357%0.568SS**  trans-64.382.5-179-52.6-82.1000115.1
987Y70.5Confident65.8Low196 Ų19690.6 Ų90.677%0.76953%0.532SS*.PPolyproline II helixtrans-91.5120.7159.3-73.7-74.9000109.4G985G985-Y987 PolarHBondContact O-N 3.4Å
988P79.2Confident68.7Low27 Ų2789 Ų8918%0.17552%0.518CS..PPolyproline II helixtrans-65.2139.7177.927.6-34.5000110.6D992 L993 F1041 C1045 K1048P988-D992 HydrophobicContact CB-CB 3.95Å; P988-L993 HydrophobicContact CB-CD2 4.37Å; P988-L993 HydrophobicContact CB-CG 4.43Å; P988-L993 HydrophobicContact CG-CD2 3.98Å; P988-L993 HydrophobicContact CG-CG 4.33Å; P988-F1041 VanDerWaalsContact O-CZ 3.25Å; P988-F1041 WeakPolarHBondContact O-CZ 3.37Å; P988-C1045 HydrophobicContact CG-CB 4.32Å; P988-K1048 HydrophobicContact CB-CD 4.41Å
989S87.9Confident71.6Confident49 Ų4986.7 Ų86.734%0.34349%0.494SS..PPolyproline II helixtrans-59.4165.1174.5-169.90000111.8D991 D992 L993S989-D991 PolarHBondContact O-N 2.9Å; S989-D991 PolarHBondContact OG-OD2 2.99Å; S989-D992 VanDerWaalsContact CB-OD2 3.27Å; S989-D992 WeakPolarHBondContact CB-OD2 3.27Å; S989-D992 PolarHBondContact N-OD2 3.39Å; S989-D992 PolarHBondContact O-N 2.8Å; S989-L993 WeakPolarHBondContact O-CG 3.39Å; S989-L993 PolarHBondContact O-N 3.37Å; S989-L993 VanDerWaalsContact O-N 3.14Å
990A89.4Confident74.5Confident58 Ų5881 Ų8148%0.47946%0.459SS..Hα-helixtrans-57-42.1168.500000110.8L993 E994 F1041A990-L993 WeakPolarHBondContact O-CB 3.37Å; A990-L993 PolarHBondContact O-N 3.08Å; A990-E994 PolarHBondContact O-N 3.14Å; A990-F1041 HydrophobicContact CB-CE2 4.47Å
991D91.9Very high77.5Confident103 Ų10379.3 Ų79.355%0.55145%0.447SS*.Hα-helixtrans-66.9-41179.4-36.5-70.4000111S989 L993 E994 I995S989-D991 PolarHBondContact O-N 2.9Å; S989-D991 PolarHBondContact OG-OD2 2.99Å; D991-L993 PolarHBondContact O-N 3.2Å; D991-E994 PolarHBondContact O-N 3.4Å; D991-E994 VanDerWaalsContact O-N 3.14Å; D991-I995 WeakPolarHBondContact O-CB 3.25Å; D991-I995 VanDerWaalsContact O-CG1 3.27Å; D991-I995 WeakPolarHBondContact O-CG1 3.31Å; D991-I995 PolarHBondContact O-N 2.96Å
992D93.8Very high80.3Confident74 Ų7479.8 Ų79.840%0.39645%0.446SS..Hα-helixtrans-62.4-26.1174.8-64.6-37.8000113.1P988 S989 F996 K1048P988-D992 HydrophobicContact CB-CB 3.95Å; S989-D992 VanDerWaalsContact CB-OD2 3.27Å; S989-D992 WeakPolarHBondContact CB-OD2 3.27Å; S989-D992 PolarHBondContact N-OD2 3.39Å; S989-D992 PolarHBondContact O-N 2.8Å; D992-F996 WeakPolarHBondContact O-CB 3.41Å; D992-F996 PolarHBondContact O-N 3.44Å; D992-K1048 PolarHBondContact O-NZ 2.6Å
993L94.1Very high83.2Confident3 Ų379 Ų792%0.01643%0.43CS..Hα-helixtrans-82.4-39174.5-68.1171000111.1P988 S989 A990 D991 A997 F1041 M1044 K1048P988-L993 HydrophobicContact CB-CD2 4.37Å; P988-L993 HydrophobicContact CB-CG 4.43Å; P988-L993 HydrophobicContact CG-CD2 3.98Å; P988-L993 HydrophobicContact CG-CG 4.33Å; S989-L993 WeakPolarHBondContact O-CG 3.39Å; S989-L993 PolarHBondContact O-N 3.37Å; S989-L993 VanDerWaalsContact O-N 3.14Å; A990-L993 WeakPolarHBondContact O-CB 3.37Å; A990-L993 PolarHBondContact O-N 3.08Å; D991-L993 PolarHBondContact O-N 3.2Å; L993-A997 VanDerWaalsContact O-CB 3.26Å; L993-A997 WeakPolarHBondContact O-CB 3.44Å; L993-A997 PolarHBondContact O-N 3.36Å; L993-F1041 HydrophobicContact CD1-CD2 3.47Å; L993-F1041 VanDerWaalsContact CD1-CD2 3.47Å; L993-F1041 HydrophobicContact CD1-CE2 3.46Å; L993-F1041 VanDerWaalsContact CD1-CE2 3.46Å; L993-F1041 HydrophobicContact CD1-CG 4.37Å; L993-F1041 HydrophobicContact CD1-CZ 4.36Å; L993-M1044 HydrophobicContact CB-SD 4.44Å; L993-M1044 HydrophobicContact CD1-CB 3.86Å; L993-M1044 HydrophobicContact CD1-SD 4.43Å; L993-M1044 HydrophobicContact CD2-CB 3.98Å; L993-M1044 HydrophobicContact CG-CB 4.44Å; L993-K1048 HydrophobicContact CD2-CB 4.06Å; L993-K1048 HydrophobicContact CD2-CD 3.83Å
994E95.7Very high86Confident78 Ų7876.5 Ų76.536%0.36440%0.398SS..Hα-helixtrans-66.5-49.6175.8174.9160.9161.500112.4A990 D991 F996 A997 K998 L1037A990-E994 PolarHBondContact O-N 3.14Å; D991-E994 PolarHBondContact O-N 3.4Å; D991-E994 VanDerWaalsContact O-N 3.14Å; E994-F996 VanDerWaalsContact C-N 3.28Å; E994-F996 PolarHBondContact O-N 2.97Å; E994-A997 PolarHBondContact O-N 2.98Å; E994-K998 HydrophobicContact CG-CD 3.99Å; E994-K998 WeakPolarHBondContact O-CB 3.09Å; E994-K998 WeakPolarHBondContact O-CG 3.26Å; E994-K998 PolarHBondContact O-N 3.42Å; E994-K998 VanDerWaalsContact OE1-CE 3.22Å; E994-K998 WeakPolarHBondContact OE1-CE 3.13Å; E994-K998 IonicContact OE1-NZ 3.41Å; E994-K998 PolarHBondContact OE1-NZ 3.35Å; E994-L1037 HydrophobicContact CB-CD1 3.8Å; E994-L1037 HydrophobicContact CG-CD1 3.83Å
995I95.1Very high88.4Confident114 Ų11475 Ų7559%0.58539%0.385SS*.Hα-helixtrans-57-46.4175.3-66.7165.3000109.4D991 M999D991-I995 WeakPolarHBondContact O-CB 3.25Å; D991-I995 VanDerWaalsContact O-CG1 3.27Å; D991-I995 WeakPolarHBondContact O-CG1 3.31Å; D991-I995 PolarHBondContact O-N 2.96Å; I995-M999 WeakPolarHBondContact O-CB 3.27Å; I995-M999 PolarHBondContact O-N 2.78Å
996F96.8Very high91Very high15 Ų1578.8 Ų78.87%0.06639%0.385CS..Hα-helixtrans-64.6-41.9177.1178.3-93.7000112.8D992 E994 M999 F1000 F1034 K1048 L1051 Q1052D992-F996 WeakPolarHBondContact O-CB 3.41Å; D992-F996 PolarHBondContact O-N 3.44Å; E994-F996 VanDerWaalsContact C-N 3.28Å; E994-F996 PolarHBondContact O-N 2.97Å; F996-M999 PolarHBondContact O-N 3.04Å; F996-F1000 HydrophobicContact CE1-CB 4.17Å; F996-F1000 HydrophobicContact CZ-CB 4.24Å; F996-F1000 HydrophobicContact CZ-CD2 4.23Å; F996-F1000 WeakPolarHBondContact O-CB 3.39Å; F996-F1000 PolarHBondContact O-N 3.17Å; F996-F1034 AromaticContact CD1-CE1 3.61Å; F996-F1034 HydrophobicContact CD1-CE1 3.61Å; F996-F1034 AromaticContact CD1-CZ 3.57Å; F996-F1034 HydrophobicContact CD1-CZ 3.57Å; F996-F1034 AromaticContact CE1-CE1 3.56Å; F996-F1034 HydrophobicContact CE1-CE1 3.56Å; F996-F1034 AromaticContact CE1-CZ 3.6Å; F996-F1034 HydrophobicContact CE1-CZ 3.6Å; F996-K1048 HydrophobicContact CB-CD 3.99Å; F996-K1048 HydrophobicContact CD1-CB 4.17Å; F996-K1048 HydrophobicContact CD1-CD 4.01Å; F996-K1048 HydrophobicContact CD1-CG 3.76Å; F996-K1048 HydrophobicContact CD2-CD 4.31Å; F996-K1048 HydrophobicContact CD2-CG 4.2Å; F996-K1048 HydrophobicContact CE1-CB 4.2Å; F996-K1048 HydrophobicContact CE1-CG 3.95Å; F996-K1048 HydrophobicContact CE2-CG 4.37Å; F996-K1048 HydrophobicContact CG-CD 3.81Å; F996-K1048 HydrophobicContact CG-CG 3.9Å; F996-K1048 HydrophobicContact CZ-CG 4.26Å; F996-L1051 HydrophobicContact CE1-CB 3.97Å; F996-L1051 HydrophobicContact CE1-CD1 4.49Å; F996-L1051 HydrophobicContact CZ-CB 3.9Å; F996-Q1052 HydrophobicContact CE2-CB 3.6Å; F996-Q1052 HydrophobicContact CE2-CG 3.93Å; F996-Q1052 HydrophobicContact CZ-CB 3.78Å
997A97Very high92.7Very high2 Ų272.6 Ų72.62%0.01735%0.352CS..Hα-helixtrans-65.6-41.617900000112.2L993 E994 K1001 F1034 L1037L993-A997 VanDerWaalsContact O-CB 3.26Å; L993-A997 WeakPolarHBondContact O-CB 3.44Å; L993-A997 PolarHBondContact O-N 3.36Å; E994-A997 PolarHBondContact O-N 2.98Å; A997-K1001 VanDerWaalsContact O-CB 3.3Å; A997-K1001 WeakPolarHBondContact O-CB 3.17Å; A997-K1001 PolarHBondContact O-N 3.15Å; A997-F1034 HydrophobicContact CB-CD1 4.36Å; A997-F1034 HydrophobicContact CB-CE1 4.08Å; A997-L1037 HydrophobicContact CB-CD2 3.7Å; A997-L1037 HydrophobicContact CB-CG 4.43Å
998K96.3Very high93.8Very high118 Ų11866 Ų6651%0.51334%0.343SS..Hα-helixtrans-61.1-51.1173.1-75.1171168.6172.90111.1E994 K1001 Q1002E994-K998 HydrophobicContact CG-CD 3.99Å; E994-K998 WeakPolarHBondContact O-CB 3.09Å; E994-K998 WeakPolarHBondContact O-CG 3.26Å; E994-K998 PolarHBondContact O-N 3.42Å; E994-K998 VanDerWaalsContact OE1-CE 3.22Å; E994-K998 WeakPolarHBondContact OE1-CE 3.13Å; E994-K998 IonicContact OE1-NZ 3.41Å; E994-K998 PolarHBondContact OE1-NZ 3.35Å; K998-K1001 PolarHBondContact O-N 3.37Å; K998-Q1002 WeakPolarHBondContact O-CG 3.46Å; K998-Q1002 PolarHBondContact O-N 3.43Å
999M95.9Very high94.5Very high74 Ų7466.1 Ų66.137%0.36534%0.341SS..Hα-helixtrans-61.7-47.7179.4177.3-86163.300111.9I995 F996 K1001 Q1002 R1003 L1055I995-M999 WeakPolarHBondContact O-CB 3.27Å; I995-M999 PolarHBondContact O-N 2.78Å; F996-M999 PolarHBondContact O-N 3.04Å; M999-K1001 PolarHBondContact O-N 3.33Å; M999-Q1002 PolarHBondContact O-N 3.46Å; M999-R1003 HydrophobicContact CE-CB 4.05Å; M999-R1003 HydrophobicContact CE-CG 4.01Å; M999-R1003 VanDerWaalsContact O-CB 3.28Å; M999-R1003 WeakPolarHBondContact O-CB 3.48Å; M999-R1003 PolarHBondContact O-N 2.9Å; M999-L1055 HydrophobicContact CE-CD2 3.65Å; M999-L1055 HydrophobicContact SD-CD2 3.7Å
1000F97.3Very high94.8Very high0 Ų067 Ų670%035%0.345CS..Hα-helixtrans-56.5-48.7176.2171.8-87.5000111.5F996 R1003 R1004 V1014 I1031 E1035 L1051 W1054 L1055F996-F1000 HydrophobicContact CE1-CB 4.17Å; F996-F1000 HydrophobicContact CZ-CB 4.24Å; F996-F1000 HydrophobicContact CZ-CD2 4.23Å; F996-F1000 WeakPolarHBondContact O-CB 3.39Å; F996-F1000 PolarHBondContact O-N 3.17Å; F1000-R1003 PolarHBondContact O-N 2.86Å; F1000-R1004 HydrophobicContact CE1-CB 4.47Å; F1000-R1004 VanDerWaalsContact O-CB 3.26Å; F1000-R1004 WeakPolarHBondContact O-CB 3.26Å; F1000-R1004 PolarHBondContact O-N 3.46Å; F1000-V1014 HydrophobicContact CZ-CG1 4.1Å; F1000-I1031 HydrophobicContact CE1-CG2 3.93Å; F1000-I1031 HydrophobicContact CZ-CG2 4.3Å; F1000-E1035 HydrophobicContact CD1-CG 4.06Å; F1000-E1035 HydrophobicContact CE1-CG 4.17Å; F1000-L1051 HydrophobicContact CD2-CB 4.03Å; F1000-L1051 HydrophobicContact CE2-CB 3.9Å; F1000-L1051 HydrophobicContact CE2-CD2 3.77Å; F1000-L1051 HydrophobicContact CE2-CG 4.35Å; F1000-L1051 HydrophobicContact CZ-CD2 3.76Å; F1000-W1054 AromaticContact CE2-CE3 3.8Å; F1000-W1054 HydrophobicContact CE2-CE3 3.8Å; F1000-W1054 AromaticContact CE2-CZ3 3.82Å; F1000-W1054 HydrophobicContact CE2-CZ3 3.82Å; F1000-W1054 HydrophobicContact CZ-CE3 4.38Å; F1000-W1054 HydrophobicContact CZ-CZ3 4.18Å; F1000-L1055 HydrophobicContact CB-CD2 4.48Å; F1000-L1055 HydrophobicContact CD2-CB 4.43Å; F1000-L1055 HydrophobicContact CD2-CD1 4.49Å; F1000-L1055 HydrophobicContact CD2-CD2 4.1Å
1001K97.3Very high95.1Very high96 Ų9666 Ų6642%0.41733%0.329SS..Hα-helixtrans-59.7-48.8179.2-176.5-178.8-174.9-179.50111.5A997 K998 M999 I1005 E1035A997-K1001 VanDerWaalsContact O-CB 3.3Å; A997-K1001 WeakPolarHBondContact O-CB 3.17Å; A997-K1001 PolarHBondContact O-N 3.15Å; K998-K1001 PolarHBondContact O-N 3.37Å; M999-K1001 PolarHBondContact O-N 3.33Å; K1001-I1005 HydrophobicContact CG-CD1 4.04Å; K1001-I1005 WeakPolarHBondContact O-CB 3.3Å; K1001-I1005 WeakPolarHBondContact O-CD1 3.44Å; K1001-I1005 VanDerWaalsContact O-CG1 3.25Å; K1001-I1005 WeakPolarHBondContact O-CG1 3.42Å; K1001-I1005 PolarHBondContact O-N 3.39Å; K1001-E1035 HydrophobicContact CB-CB 4.48Å; K1001-E1035 HydrophobicContact CB-CG 4.02Å; K1001-E1035 HydrophobicContact CD-CB 4.27Å; K1001-E1035 HydrophobicContact CG-CG 4.24Å
1002Q95.9Very high95.2Very high144 Ų14462.8 Ų62.867%0.67332%0.317SS*.Hα-helixtrans-60.6-44.9177.4-73.2176.6-6.900111.8K998 M999 I1005 K1006K998-Q1002 WeakPolarHBondContact O-CG 3.46Å; K998-Q1002 PolarHBondContact O-N 3.43Å; M999-Q1002 PolarHBondContact O-N 3.46Å; Q1002-I1005 PolarHBondContact O-N 3.31Å; Q1002-K1006 WeakPolarHBondContact O-CB 3.3Å; Q1002-K1006 PolarHBondContact O-N 3.37Å
1003R95.4Very high95.1Very high91 Ų9160.5 Ų60.534%0.34331%0.305SS..Hα-helixtrans-70.5-46.3-176.1-159.772.3170.6-158.9-5.9111.7M999 F1000 I1005 K1006 L1007 L1055 D1059M999-R1003 HydrophobicContact CE-CB 4.05Å; M999-R1003 HydrophobicContact CE-CG 4.01Å; M999-R1003 VanDerWaalsContact O-CB 3.28Å; M999-R1003 WeakPolarHBondContact O-CB 3.48Å; M999-R1003 PolarHBondContact O-N 2.9Å; F1000-R1003 PolarHBondContact O-N 2.86Å; R1003-I1005 VanDerWaalsContact C-N 3.29Å; R1003-I1005 PolarHBondContact O-N 3.19Å; R1003-K1006 WeakPolarHBondContact O-CA 3.49Å; R1003-K1006 WeakPolarHBondContact O-CB 3.41Å; R1003-K1006 PolarHBondContact O-N 3Å; R1003-L1007 WeakPolarHBondContact O-CG 3.31Å; R1003-L1007 PolarHBondContact O-N 3.43Å; R1003-L1055 HydrophobicContact CB-CD1 3.86Å; R1003-L1055 HydrophobicContact CB-CD2 4.01Å; R1003-L1055 HydrophobicContact CB-CG 4.4Å; R1003-L1055 HydrophobicContact CG-CD1 3.76Å; R1003-L1055 HydrophobicContact CG-CD2 4.13Å; R1003-L1055 HydrophobicContact CG-CG 4.14Å; R1003-D1059 IonicContact CZ-OD1 2.59Å; R1003-D1059 IonicContact CZ-OD2 3.18Å; R1003-D1059 VanDerWaalsContact NE-CG 3.29Å; R1003-D1059 IonicContact NE-OD1 2.69Å; R1003-D1059 PolarHBondContact NE-OD1 2.59Å; R1003-D1059 IonicContact NE-OD2 3.02Å; R1003-D1059 PolarHBondContact NE-OD2 3.08Å; R1003-D1059 VanDerWaalsContact NH2-CG 3.3Å; R1003-D1059 IonicContact NH2-OD1 2.8Å; R1003-D1059 PolarHBondContact NH2-OD1 2.97Å; R1003-D1059 IonicContact NH2-OD2 3.54Å; R1003-D1059 PolarHBondContact NH2-OD2 2.89Å
1004R95.7Very high95.1Very high18 Ų1860.3 Ų60.37%0.06830%0.304CS..Hα-helixtrans-51.5-48.1172.3-178.1-171.657.972.5-5111.5F1000 L1007 G1008 Y1009 V1014 E1035 W1054F1000-R1004 HydrophobicContact CE1-CB 4.47Å; F1000-R1004 VanDerWaalsContact O-CB 3.26Å; F1000-R1004 WeakPolarHBondContact O-CB 3.26Å; F1000-R1004 PolarHBondContact O-N 3.46Å; R1004-L1007 PolarHBondContact O-N 2.81Å; R1004-G1008 PolarHBondContact O-N 3.19Å; R1004-Y1009 VanDerWaalsContact CG-O 3.31Å; R1004-Y1009 WeakPolarHBondContact CG-O 3.31Å; R1004-Y1009 PolarHBondContact NH1-O 3.42Å; R1004-Y1009 PolarHBondContact O-N 3.15Å; R1004-V1014 VanDerWaalsContact CD-CG2 3.4Å; R1004-V1014 HydrophobicContact CG-CG2 3.81Å; R1004-E1035 IonicContact CZ-OE1 3.84Å; R1004-E1035 IonicContact NE-OE1 3.94Å; R1004-E1035 PolarHBondContact NE-OE1 2.95Å; R1004-E1035 VanDerWaalsContact NH2-CD 3.33Å; R1004-E1035 IonicContact NH2-OE1 3.79Å; R1004-E1035 PolarHBondContact NH2-OE1 2.84Å; R1004-E1035 IonicContact NH2-OE2 2.6Å; R1004-E1035 PolarHBondContact NH2-OE2 2.69Å; R1004-W1054 HydrophobicContact CG-CH2 4.29Å
1005I94.2Very high95Very high94 Ų9456.7 Ų56.748%0.48229%0.288SS..Hα-helixtrans-67.4-38178.1-66168000111.4K1001 Q1002 R1003 L1007 G1008K1001-I1005 HydrophobicContact CG-CD1 4.04Å; K1001-I1005 WeakPolarHBondContact O-CB 3.3Å; K1001-I1005 WeakPolarHBondContact O-CD1 3.44Å; K1001-I1005 VanDerWaalsContact O-CG1 3.25Å; K1001-I1005 WeakPolarHBondContact O-CG1 3.42Å; K1001-I1005 PolarHBondContact O-N 3.39Å; Q1002-I1005 PolarHBondContact O-N 3.31Å; R1003-I1005 VanDerWaalsContact C-N 3.29Å; R1003-I1005 PolarHBondContact O-N 3.19Å; I1005-L1007 VanDerWaalsContact C-N 3.28Å; I1005-L1007 PolarHBondContact O-N 3.36Å; I1005-G1008 PolarHBondContact O-N 3.24Å; I1005-G1008 VanDerWaalsContact O-N 3.17Å
1006K94.6Very high94.7Very high133 Ų13353.6 Ų53.658%0.57827%0.272SS*.Hα-helixtrans-62.9-34.1175.2-171.1-179.4177.5-176.80112.5Q1002 R1003 G1008Q1002-K1006 WeakPolarHBondContact O-CB 3.3Å; Q1002-K1006 PolarHBondContact O-N 3.37Å; R1003-K1006 WeakPolarHBondContact O-CA 3.49Å; R1003-K1006 WeakPolarHBondContact O-CB 3.41Å; R1003-K1006 PolarHBondContact O-N 3Å; K1006-G1008 VanDerWaalsContact C-N 3.33Å
1007L92.3Very high94.3Very high37 Ų3753.3 Ų53.319%0.19427%0.273CS..THydrogen-bonded Turntrans-83-2.3176.2-62.8-172.7000114.2R1003 R1004 I1005 Y1009 L1055 A1058 T1062R1003-L1007 WeakPolarHBondContact O-CG 3.31Å; R1003-L1007 PolarHBondContact O-N 3.43Å; R1004-L1007 PolarHBondContact O-N 2.81Å; I1005-L1007 VanDerWaalsContact C-N 3.28Å; I1005-L1007 PolarHBondContact O-N 3.36Å; L1007-Y1009 VanDerWaalsContact C-N 3.32Å; L1007-Y1009 HydrophobicContact CB-CD2 3.68Å; L1007-Y1009 HydrophobicContact CB-CE2 3.98Å; L1007-Y1009 HydrophobicContact CD1-CD2 4.37Å; L1007-Y1009 HydrophobicContact CD1-CE2 4.27Å; L1007-Y1009 PolarHBondContact O-N 3.46Å; L1007-L1055 HydrophobicContact CD1-CD1 4.49Å; L1007-A1058 HydrophobicContact CD1-CB 3.68Å; L1007-T1062 HydrophobicContact CD2-CG2 4.02Å; L1007-T1062 VanDerWaalsContact CD2-OG1 3.31Å; L1007-T1062 WeakPolarHBondContact CD2-OG1 3.46Å
1008G93.3Very high94Very high57 Ų5753.3 Ų53.359%0.58827%0.272SS*.THydrogen-bonded Turntrans81.3-3.1178.300000116.1R1004 I1005 K1006R1004-G1008 PolarHBondContact O-N 3.19Å; I1005-G1008 PolarHBondContact O-N 3.24Å; I1005-G1008 VanDerWaalsContact O-N 3.17Å; K1006-G1008 VanDerWaalsContact C-N 3.33Å
1009Y93.9Very high93.5Very high30 Ų3048.2 Ų48.212%0.11825%0.254CS..  trans-72.5133.2179.9-69-73.3000112.4R1004 L1007 D1013 W1054 A1058 L1068 I1071R1004-Y1009 VanDerWaalsContact CG-O 3.31Å; R1004-Y1009 WeakPolarHBondContact CG-O 3.31Å; R1004-Y1009 PolarHBondContact NH1-O 3.42Å; R1004-Y1009 PolarHBondContact O-N 3.15Å; L1007-Y1009 VanDerWaalsContact C-N 3.32Å; L1007-Y1009 HydrophobicContact CB-CD2 3.68Å; L1007-Y1009 HydrophobicContact CB-CE2 3.98Å; L1007-Y1009 HydrophobicContact CD1-CD2 4.37Å; L1007-Y1009 HydrophobicContact CD1-CE2 4.27Å; L1007-Y1009 PolarHBondContact O-N 3.46Å; Y1009-D1013 HydrophobicContact CD1-CB 3.96Å; Y1009-W1054 HydrophobicContact CD1-CZ2 4.24Å; Y1009-W1054 AromaticContact CD2-CH2 3.68Å; Y1009-W1054 HydrophobicContact CD2-CH2 3.68Å; Y1009-W1054 AromaticContact CD2-CZ2 3.7Å; Y1009-W1054 HydrophobicContact CD2-CZ2 3.7Å; Y1009-W1054 HydrophobicContact CE1-CZ2 4.49Å; Y1009-W1054 HydrophobicContact CE2-CH2 4.3Å; Y1009-W1054 HydrophobicContact CE2-CZ2 4.01Å; Y1009-W1054 AromaticContact CG-CH2 3.97Å; Y1009-W1054 HydrophobicContact CG-CH2 3.97Å; Y1009-W1054 AromaticContact CG-CZ2 3.84Å; Y1009-W1054 HydrophobicContact CG-CZ2 3.84Å; Y1009-A1058 HydrophobicContact CE2-CB 4.01Å; Y1009-L1068 HydrophobicContact CD1-CD1 4.34Å; Y1009-L1068 HydrophobicContact CE1-CD1 4.06Å; Y1009-I1071 HydrophobicContact CE1-CD1 4.24Å
1010T95.8Very high92.8Very high69 Ų6949.8 Ų49.842%0.42327%0.267SS..  trans-76.3166.4167.676.10000111.3A1012 D1013 V1014T1010-A1012 PolarHBondContact O-N 2.87Å; T1010-A1012 PolarHBondContact OG1-N 2.6Å; T1010-A1012 VanDerWaalsContact OG1-N 3.15Å; T1010-D1013 WeakPolarHBondContact CA-OD2 3.22Å; T1010-D1013 WeakPolarHBondContact CB-OD2 3.42Å; T1010-D1013 WeakPolarHBondContact CG2-OD2 3.31Å; T1010-D1013 PolarHBondContact N-OD2 3.1Å; T1010-D1013 PolarHBondContact O-N 2.91Å; T1010-D1013 PolarHBondContact OG1-N 3.46Å; T1010-D1013 PolarHBondContact OG1-OD1 2.93Å; T1010-D1013 PolarHBondContact OG1-OD2 3.1Å; T1010-V1014 PolarHBondContact O-N 2.9Å
1011Q94.3Very high91.6Very high35 Ų3553.2 Ų53.216%0.16429%0.285CS..Hα-helixtrans-63.7-18.2170.9-69.8175.2-14.600113Q1028 I1031 E1035Q1011-Q1028 HydrophobicContact CB-CB 4.5Å; Q1011-Q1028 HydrophobicContact CB-CG 3.53Å; Q1011-I1031 HydrophobicContact CB-CB 4.27Å; Q1011-I1031 HydrophobicContact CB-CG2 4.26Å; Q1011-I1031 HydrophobicContact CG-CB 4.44Å; Q1011-I1031 HydrophobicContact CG-CG2 4.07Å; Q1011-E1035 PolarHBondContact NE2-OE2 2.92Å
1012A93.5Very high90.8Very high36 Ų3652.1 Ų52.130%0.29828%0.279SS..Hα-helixtrans-80.5-44.7175.700000111T1010 V1014 G1015 L1016T1010-A1012 PolarHBondContact O-N 2.87Å; T1010-A1012 PolarHBondContact OG1-N 2.6Å; T1010-A1012 VanDerWaalsContact OG1-N 3.15Å; A1012-V1014 VanDerWaalsContact C-N 3.32Å; A1012-V1014 PolarHBondContact O-N 3.48Å; A1012-G1015 CarbonylContact O-C 3.6Å; A1012-G1015 WeakPolarHBondContact O-CA 3.2Å; A1012-G1015 PolarHBondContact O-N 3.33Å; A1012-L1016 PolarHBondContact O-N 2.85Å
1013D93.2Very high89.8Confident26 Ų2648.8 Ų48.814%0.13928%0.284CS..Hα-helixtrans-62.6-39.8-178.8-46.6-40000111.6Y1009 T1010 G1015 L1016 A1017Y1009-D1013 HydrophobicContact CD1-CB 3.96Å; T1010-D1013 WeakPolarHBondContact CA-OD2 3.22Å; T1010-D1013 WeakPolarHBondContact CB-OD2 3.42Å; T1010-D1013 WeakPolarHBondContact CG2-OD2 3.31Å; T1010-D1013 PolarHBondContact N-OD2 3.1Å; T1010-D1013 PolarHBondContact O-N 2.91Å; T1010-D1013 PolarHBondContact OG1-N 3.46Å; T1010-D1013 PolarHBondContact OG1-OD1 2.93Å; T1010-D1013 PolarHBondContact OG1-OD2 3.1Å; D1013-G1015 VanDerWaalsContact C-N 3.32Å; D1013-G1015 PolarHBondContact O-N 3.27Å; D1013-L1016 PolarHBondContact O-N 3.39Å; D1013-A1017 WeakPolarHBondContact O-CB 3.3Å; D1013-A1017 PolarHBondContact O-N 2.83Å
1014V93.9Very high88.9Confident0 Ų049.4 Ų49.40%029%0.293CS..Hα-helixtrans-59.5-44.1170.1176.10000111.3F1000 R1004 T1010 A1012 L1016 A1017 L1018 I1031 L1051 W1054F1000-V1014 HydrophobicContact CZ-CG1 4.1Å; R1004-V1014 VanDerWaalsContact CD-CG2 3.4Å; R1004-V1014 HydrophobicContact CG-CG2 3.81Å; T1010-V1014 PolarHBondContact O-N 2.9Å; A1012-V1014 VanDerWaalsContact C-N 3.32Å; A1012-V1014 PolarHBondContact O-N 3.48Å; V1014-L1016 VanDerWaalsContact C-N 3.28Å; V1014-L1016 PolarHBondContact O-N 3.4Å; V1014-A1017 PolarHBondContact O-N 3.42Å; V1014-L1018 HydrophobicContact CG1-CD1 3.62Å; V1014-L1018 HydrophobicContact CG1-CG 4.07Å; V1014-L1018 VanDerWaalsContact O-CB 3.31Å; V1014-L1018 WeakPolarHBondContact O-CB 3.13Å; V1014-L1018 WeakPolarHBondContact O-CD1 3.42Å; V1014-L1018 WeakPolarHBondContact O-CG 3.44Å; V1014-L1018 PolarHBondContact O-N 2.88Å; V1014-I1031 HydrophobicContact CG1-CD1 3.84Å; V1014-I1031 HydrophobicContact CG1-CG1 4.21Å; V1014-L1051 HydrophobicContact CG1-CD2 4.29Å; V1014-W1054 HydrophobicContact CG1-CD2 4.32Å; V1014-W1054 HydrophobicContact CG1-CE3 4.29Å; V1014-W1054 HydrophobicContact CG1-CZ3 4.49Å; V1014-W1054 HydrophobicContact CG2-CE3 4.34Å; V1014-W1054 HydrophobicContact CG2-CH2 3.43Å; V1014-W1054 VanDerWaalsContact CG2-CH2 3.43Å; V1014-W1054 HydrophobicContact CG2-CZ2 3.64Å; V1014-W1054 HydrophobicContact CG2-CZ3 3.79Å
1015G92.7Very high88.1Confident1 Ų151.1 Ų51.11%0.0131%0.306CS..Hα-helixtrans-60.3-38.1178.200000113.2A1012 D1013 G1019 F1026A1012-G1015 CarbonylContact O-C 3.6Å; A1012-G1015 WeakPolarHBondContact O-CA 3.2Å; A1012-G1015 PolarHBondContact O-N 3.33Å; D1013-G1015 VanDerWaalsContact C-N 3.32Å; D1013-G1015 PolarHBondContact O-N 3.27Å; G1015-G1019 PolarHBondContact O-N 3.42Å; G1015-F1026 CarbonylContact C-O 3.12Å; G1015-F1026 WeakPolarHBondContact CA-O 3.42Å; G1015-F1026 PolarHBondContact O-N 3.38Å
1016L89Confident87.7Confident49 Ų4948 Ų4826%0.25729%0.289SS..Hα-helixtrans-70.9-52.7174.4-66.3172.3000111.7A1012 D1013 V1014 L1018 G1019 T1020 V1025A1012-L1016 PolarHBondContact O-N 2.85Å; D1013-L1016 PolarHBondContact O-N 3.39Å; V1014-L1016 VanDerWaalsContact C-N 3.28Å; V1014-L1016 PolarHBondContact O-N 3.4Å; L1016-L1018 PolarHBondContact O-N 3.37Å; L1016-G1019 CarbonylContact O-C 3.6Å; L1016-G1019 VanDerWaalsContact O-CA 3.23Å; L1016-G1019 WeakPolarHBondContact O-CA 3.24Å; L1016-G1019 PolarHBondContact O-N 3.42Å; L1016-T1020 PolarHBondContact O-N 3.14Å; L1016-T1020 PolarHBondContact O-OG1 3.02Å; L1016-V1025 HydrophobicContact CD2-CG1 4.4Å
1017A89.6Confident87.3Confident10 Ų1043.2 Ų43.28%0.08327%0.272CS..Hα-helixtrans-61.6-41.2-177.800000112.8D1013 V1014 G1019 T1020 L1021 I1071D1013-A1017 WeakPolarHBondContact O-CB 3.3Å; D1013-A1017 PolarHBondContact O-N 2.83Å; V1014-A1017 PolarHBondContact O-N 3.42Å; A1017-G1019 PolarHBondContact O-N 2.85Å; A1017-T1020 WeakPolarHBondContact O-CB 3.22Å; A1017-T1020 PolarHBondContact O-N 3.33Å; A1017-T1020 VanDerWaalsContact O-N 3.15Å; A1017-L1021 WeakPolarHBondContact O-CG 3.38Å; A1017-L1021 PolarHBondContact O-N 2.97Å; A1017-I1071 HydrophobicContact CB-CG2 4.31Å
1018L89.1Confident87.3Confident1 Ų146 Ų461%0.00528%0.284CS..Hα-helixtrans-63.1-31.5170.2-68.1169.8000112.4V1014 L1016 T1020 L1021 Y1022 F1026 I1031 L1051 W1054V1014-L1018 HydrophobicContact CG1-CD1 3.62Å; V1014-L1018 HydrophobicContact CG1-CG 4.07Å; V1014-L1018 VanDerWaalsContact O-CB 3.31Å; V1014-L1018 WeakPolarHBondContact O-CB 3.13Å; V1014-L1018 WeakPolarHBondContact O-CD1 3.42Å; V1014-L1018 WeakPolarHBondContact O-CG 3.44Å; V1014-L1018 PolarHBondContact O-N 2.88Å; L1016-L1018 PolarHBondContact O-N 3.37Å; L1018-T1020 VanDerWaalsContact C-N 3.33Å; L1018-L1021 PolarHBondContact O-N 3.05Å; L1018-Y1022 HydrophobicContact CB-CD2 4.34Å; L1018-Y1022 HydrophobicContact CD2-CD2 3.91Å; L1018-Y1022 HydrophobicContact CD2-CE2 3.62Å; L1018-Y1022 WeakPolarHBondContact O-CB 3.42Å; L1018-Y1022 WeakPolarHBondContact O-CD2 3.45Å; L1018-Y1022 PolarHBondContact O-N 3.03Å; L1018-F1026 HydrophobicContact CB-CD2 3.57Å; L1018-F1026 HydrophobicContact CB-CE2 4.12Å; L1018-F1026 HydrophobicContact CD1-CB 4.26Å; L1018-F1026 HydrophobicContact CD1-CD2 3.72Å; L1018-F1026 HydrophobicContact CD1-CE2 4.39Å; L1018-F1026 HydrophobicContact CD1-CG 4.17Å; L1018-F1026 HydrophobicContact CG-CD2 4.26Å; L1018-I1031 HydrophobicContact CD1-CD1 3.88Å; L1018-L1051 HydrophobicContact CD1-CD2 3.73Å; L1018-W1054 HydrophobicContact CD2-CB 3.55Å; L1018-W1054 HydrophobicContact CD2-CG 3.96Å; L1018-W1054 HydrophobicContact CG-CB 4.48Å; L1018-W1054 HydrophobicContact CG-CG 4.39Å
1019G86Confident87.3Confident12 Ų1246.9 Ų46.912%0.12428%0.278CS..Hα-helixtrans-63-38.7172.300000112.6G1015 L1016 A1017 G1023G1015-G1019 PolarHBondContact O-N 3.42Å; L1016-G1019 CarbonylContact O-C 3.6Å; L1016-G1019 VanDerWaalsContact O-CA 3.23Å; L1016-G1019 WeakPolarHBondContact O-CA 3.24Å; L1016-G1019 PolarHBondContact O-N 3.42Å; A1017-G1019 PolarHBondContact O-N 2.85Å; G1019-G1023 VanDerWaalsContact O-CA 3.24Å; G1019-G1023 WeakPolarHBondContact O-CA 3.38Å; G1019-G1023 PolarHBondContact O-N 3.23Å
1020T81.4Confident87.3Confident106 Ų10647.3 Ų47.365%0.6528%0.284SS*.Hα-helixtrans-67.4-42.9173.2-49.80000112L1016 A1017 L1018L1016-T1020 PolarHBondContact O-N 3.14Å; L1016-T1020 PolarHBondContact O-OG1 3.02Å; A1017-T1020 WeakPolarHBondContact O-CB 3.22Å; A1017-T1020 PolarHBondContact O-N 3.33Å; A1017-T1020 VanDerWaalsContact O-N 3.15Å; L1018-T1020 VanDerWaalsContact C-N 3.33Å
1021L73.5Confident87.3Confident73 Ų7344.1 Ų44.138%0.38226%0.264SS..Hα-helixtrans-74.2-36-177.4-68.1168.5000114.3A1017 L1018 W1054 E1057A1017-L1021 WeakPolarHBondContact O-CG 3.38Å; A1017-L1021 PolarHBondContact O-N 2.97Å; L1018-L1021 PolarHBondContact O-N 3.05Å; L1021-W1054 HydrophobicContact CD1-CB 4.17Å; L1021-W1054 HydrophobicContact CD1-CG 4.38Å; L1021-E1057 WeakPolarHBondContact CD1-OE2 3.27Å; L1021-E1057 WeakPolarHBondContact CD2-OE2 3.32Å
1022Y78.8Confident87.4Confident73 Ų7345 Ų4529%0.28627%0.274SS..Hα-helixtrans-123.87-169.1-56.4-69.3000114.2L1018 N1024 L1050 K1053L1018-Y1022 HydrophobicContact CB-CD2 4.34Å; L1018-Y1022 HydrophobicContact CD2-CD2 3.91Å; L1018-Y1022 HydrophobicContact CD2-CE2 3.62Å; L1018-Y1022 WeakPolarHBondContact O-CB 3.42Å; L1018-Y1022 WeakPolarHBondContact O-CD2 3.45Å; L1018-Y1022 PolarHBondContact O-N 3.03Å; Y1022-N1024 PolarHBondContact O-N 3.14Å; Y1022-N1024 VanDerWaalsContact O-N 3.12Å; Y1022-L1050 HydrophobicContact CD1-CD2 3.8Å; Y1022-L1050 HydrophobicContact CD2-CB 4.41Å; Y1022-L1050 HydrophobicContact CD2-CD2 4.26Å; Y1022-L1050 HydrophobicContact CE1-CD2 3.54Å; Y1022-L1050 HydrophobicContact CE2-CB 3.94Å; Y1022-L1050 HydrophobicContact CE2-CD2 4.05Å; Y1022-L1050 HydrophobicContact CG-CD2 4.14Å; Y1022-L1050 PolarHBondContact OH-O 2.99Å; Y1022-K1053 WeakPolarHBondContact OH-CB 3.19Å; Y1022-K1053 WeakPolarHBondContact OH-CD 3.17Å; Y1022-K1053 WeakPolarHBondContact OH-CG 3.28Å
1023G76.1Confident87.5Confident74 Ų7449.3 Ų49.376%0.76328%0.282SS*.SBendtrans70.22.5176.600000115.7G1019G1019-G1023 VanDerWaalsContact O-CA 3.24Å; G1019-G1023 WeakPolarHBondContact O-CA 3.38Å; G1019-G1023 PolarHBondContact O-N 3.23Å
1024N76.7Confident87.7Confident103 Ų10348 Ų4855%0.55128%0.276SS*.SBendtrans-132.7109-178.4-174.921.6000110.3Y1022 F1026Y1022-N1024 PolarHBondContact O-N 3.14Å; Y1022-N1024 VanDerWaalsContact O-N 3.12Å; N1024-F1026 WeakPolarHBondContact O-CD2 3.25Å; N1024-F1026 PolarHBondContact O-N 3.17Å; N1024-F1026 VanDerWaalsContact O-N 3.13Å
1025V77.9Confident87.8Confident55 Ų5548.9 Ų48.933%0.33328%0.279SS..  trans-66.8110-178.3179.70000109.6L1016L1016-V1025 HydrophobicContact CD2-CG1 4.4Å
1026F85.4Confident88Confident29 Ų2951.1 Ų51.113%0.12730%0.298CS..  trans-71.4138.4174.9-70.8-84.9000109.7G1015 L1018 N1024 T1030 I1031 L1047 L1050G1015-F1026 CarbonylContact C-O 3.12Å; G1015-F1026 WeakPolarHBondContact CA-O 3.42Å; G1015-F1026 PolarHBondContact O-N 3.38Å; L1018-F1026 HydrophobicContact CB-CD2 3.57Å; L1018-F1026 HydrophobicContact CB-CE2 4.12Å; L1018-F1026 HydrophobicContact CD1-CB 4.26Å; L1018-F1026 HydrophobicContact CD1-CD2 3.72Å; L1018-F1026 HydrophobicContact CD1-CE2 4.39Å; L1018-F1026 HydrophobicContact CD1-CG 4.17Å; L1018-F1026 HydrophobicContact CG-CD2 4.26Å; N1024-F1026 WeakPolarHBondContact O-CD2 3.25Å; N1024-F1026 PolarHBondContact O-N 3.17Å; N1024-F1026 VanDerWaalsContact O-N 3.13Å; F1026-T1030 HydrophobicContact CD1-CG2 4.17Å; F1026-I1031 HydrophobicContact CB-CD1 4.17Å; F1026-L1047 HydrophobicContact CD1-CD2 3.96Å; F1026-L1047 HydrophobicContact CE1-CD2 3.39Å; F1026-L1047 HydrophobicContact CZ-CD2 3.96Å; F1026-L1050 HydrophobicContact CE2-CD1 4.18Å; F1026-L1050 HydrophobicContact CZ-CD1 3.68Å
1027S87.1Confident88.3Confident31 Ų3151.6 Ų51.622%0.21730%0.3CS..  trans-73144.9176.579.70000110.4T1029 T1030 I1031S1027-T1029 PolarHBondContact O-N 2.82Å; S1027-T1029 VanDerWaalsContact O-N 3.15Å; S1027-T1030 WeakPolarHBondContact O-CA 3.42Å; S1027-T1030 WeakPolarHBondContact O-CB 3.36Å; S1027-T1030 PolarHBondContact O-N 2.82Å; S1027-T1030 PolarHBondContact OG-N 3.2Å; S1027-T1030 PolarHBondContact OG-OG1 3.4Å; S1027-I1031 PolarHBondContact O-N 3.21Å; S1027-I1031 VanDerWaalsContact O-N 3.14Å
1028Q91.7Very high88.5Confident96 Ų9657.6 Ų57.645%0.44933%0.327SS..Hα-helixtrans-46.4-41.4166.7-173.9-160.9-300111.2Q1011 T1030 I1031 C1032Q1011-Q1028 HydrophobicContact CB-CB 4.5Å; Q1011-Q1028 HydrophobicContact CB-CG 3.53Å; Q1028-T1030 VanDerWaalsContact C-N 3.28Å; Q1028-T1030 PolarHBondContact O-N 3.44Å; Q1028-I1031 PolarHBondContact O-N 3.04Å; Q1028-C1032 WeakPolarHBondContact O-CB 3.49Å; Q1028-C1032 PolarHBondContact O-N 2.81Å
1029T93.7Very high88.7Confident76 Ų7659 Ų5947%0.46633%0.334SS..Hα-helixtrans-62.1-30.6175.1-39.10000113.3S1027 R1033S1027-T1029 PolarHBondContact O-N 2.82Å; S1027-T1029 VanDerWaalsContact O-N 3.15Å; T1029-R1033 VanDerWaalsContact O-CB 3.31Å; T1029-R1033 WeakPolarHBondContact O-CB 3.09Å; T1029-R1033 WeakPolarHBondContact O-CG 3.42Å; T1029-R1033 PolarHBondContact O-N 3.44Å
1030T94.1Very high89Confident38 Ų3861.6 Ų61.623%0.23335%0.35CS..Hα-helixtrans-71.1-45.6173.2-49.60000110.7F1026 S1027 Q1028 R1033 F1034 L1039 L1047F1026-T1030 HydrophobicContact CD1-CG2 4.17Å; S1027-T1030 WeakPolarHBondContact O-CA 3.42Å; S1027-T1030 WeakPolarHBondContact O-CB 3.36Å; S1027-T1030 PolarHBondContact O-N 2.82Å; S1027-T1030 PolarHBondContact OG-N 3.2Å; S1027-T1030 PolarHBondContact OG-OG1 3.4Å; Q1028-T1030 VanDerWaalsContact C-N 3.28Å; Q1028-T1030 PolarHBondContact O-N 3.44Å; T1030-R1033 PolarHBondContact O-N 2.78Å; T1030-F1034 PolarHBondContact O-N 3.28Å; T1030-L1039 HydrophobicContact CG2-CD1 4.47Å; T1030-L1047 HydrophobicContact CG2-CD1 3.98Å
1031I95.1Very high89.5Confident3 Ų361.3 Ų61.32%0.01534%0.34CS..Hα-helixtrans-62.4-48.3177-50.9-55.4000109.9F1000 Q1011 V1014 L1018 F1026 S1027 Q1028 R1033 F1034 E1035 L1051F1000-I1031 HydrophobicContact CE1-CG2 3.93Å; F1000-I1031 HydrophobicContact CZ-CG2 4.3Å; Q1011-I1031 HydrophobicContact CB-CB 4.27Å; Q1011-I1031 HydrophobicContact CB-CG2 4.26Å; Q1011-I1031 HydrophobicContact CG-CB 4.44Å; Q1011-I1031 HydrophobicContact CG-CG2 4.07Å; V1014-I1031 HydrophobicContact CG1-CD1 3.84Å; V1014-I1031 HydrophobicContact CG1-CG1 4.21Å; L1018-I1031 HydrophobicContact CD1-CD1 3.88Å; F1026-I1031 HydrophobicContact CB-CD1 4.17Å; S1027-I1031 PolarHBondContact O-N 3.21Å; S1027-I1031 VanDerWaalsContact O-N 3.14Å; Q1028-I1031 PolarHBondContact O-N 3.04Å; I1031-R1033 PolarHBondContact O-N 3.13Å; I1031-F1034 WeakPolarHBondContact O-CB 3.3Å; I1031-F1034 PolarHBondContact O-N 3.02Å; I1031-F1034 VanDerWaalsContact O-N 3.08Å; I1031-E1035 WeakPolarHBondContact O-CG 3.05Å; I1031-E1035 PolarHBondContact O-N 3.36Å; I1031-L1051 HydrophobicContact CD1-CD2 3.94Å
1032C96.5Very high90.4Very high54 Ų5465.2 Ų65.237%0.36535%0.354SS..Hα-helixtrans-57.8-44.5176.7-169.40000112.7Q1028 F1034 E1035 A1036Q1028-C1032 WeakPolarHBondContact O-CB 3.49Å; Q1028-C1032 PolarHBondContact O-N 2.81Å; C1032-F1034 VanDerWaalsContact C-N 3.31Å; C1032-F1034 PolarHBondContact O-N 3.39Å; C1032-E1035 PolarHBondContact O-N 3.39Å; C1032-A1036 VanDerWaalsContact O-CB 3.3Å; C1032-A1036 WeakPolarHBondContact O-CB 3.09Å; C1032-A1036 PolarHBondContact O-N 3.41Å
1033R96.6Very high91Very high125 Ų12565.4 Ų65.447%0.47236%0.36SS..Hα-helixtrans-69.8-25.6176.2-74.4176.8176.9-165-2.2113.7T1029 T1030 I1031 L1037 Q1038 L1039T1029-R1033 VanDerWaalsContact O-CB 3.31Å; T1029-R1033 WeakPolarHBondContact O-CB 3.09Å; T1029-R1033 WeakPolarHBondContact O-CG 3.42Å; T1029-R1033 PolarHBondContact O-N 3.44Å; T1030-R1033 PolarHBondContact O-N 2.78Å; I1031-R1033 PolarHBondContact O-N 3.13Å; R1033-L1037 PolarHBondContact O-N 2.81Å; R1033-Q1038 HydrophobicContact CB-CB 4.16Å; R1033-Q1038 HydrophobicContact CG-CB 4.13Å; R1033-Q1038 PolarHBondContact O-N 3.31Å; R1033-L1039 HydrophobicContact CB-CD2 3.66Å; R1033-L1039 HydrophobicContact CB-CG 3.86Å
1034F96.8Very high91.9Very high0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-71.4-49.7170.6-173.9-84.5000110.5F996 A997 T1030 I1031 C1032 A1036 L1037 L1039 M1044 L1047 K1048 L1051F996-F1034 AromaticContact CD1-CE1 3.61Å; F996-F1034 HydrophobicContact CD1-CE1 3.61Å; F996-F1034 AromaticContact CD1-CZ 3.57Å; F996-F1034 HydrophobicContact CD1-CZ 3.57Å; F996-F1034 AromaticContact CE1-CE1 3.56Å; F996-F1034 HydrophobicContact CE1-CE1 3.56Å; F996-F1034 AromaticContact CE1-CZ 3.6Å; F996-F1034 HydrophobicContact CE1-CZ 3.6Å; A997-F1034 HydrophobicContact CB-CD1 4.36Å; A997-F1034 HydrophobicContact CB-CE1 4.08Å; T1030-F1034 PolarHBondContact O-N 3.28Å; I1031-F1034 WeakPolarHBondContact O-CB 3.3Å; I1031-F1034 PolarHBondContact O-N 3.02Å; I1031-F1034 VanDerWaalsContact O-N 3.08Å; C1032-F1034 VanDerWaalsContact C-N 3.31Å; C1032-F1034 PolarHBondContact O-N 3.39Å; F1034-A1036 PolarHBondContact O-N 3.44Å; F1034-L1037 PolarHBondContact O-N 2.9Å; F1034-L1039 HydrophobicContact CB-CD1 3.99Å; F1034-L1039 HydrophobicContact CD2-CD1 4.25Å; F1034-M1044 HydrophobicContact CD2-CB 4.44Å; F1034-M1044 HydrophobicContact CD2-CG 4.36Å; F1034-M1044 HydrophobicContact CE2-CB 4.02Å; F1034-M1044 HydrophobicContact CE2-CG 4.38Å; F1034-L1047 HydrophobicContact CD2-CB 3.72Å; F1034-L1047 HydrophobicContact CD2-CD1 3.94Å; F1034-L1047 HydrophobicContact CE2-CB 3.72Å; F1034-K1048 HydrophobicContact CZ-CB 4.27Å; F1034-L1051 HydrophobicContact CB-CD1 4.4Å; F1034-L1051 HydrophobicContact CD1-CD1 3.47Å; F1034-L1051 VanDerWaalsContact CD1-CD1 3.47Å; F1034-L1051 HydrophobicContact CD2-CD1 3.75Å; F1034-L1051 HydrophobicContact CE1-CD1 3.53Å; F1034-L1051 HydrophobicContact CE2-CD1 3.79Å; F1034-L1051 HydrophobicContact CG-CD1 3.59Å; F1034-L1051 HydrophobicContact CZ-CD1 3.7Å
1035E97Very high92.7Very high17 Ų1758.8 Ų58.88%0.07931%0.308CS..Hα-helixtrans-59.6-27176.2-71-176.6170.400114F1000 K1001 R1004 Q1011 I1031 C1032F1000-E1035 HydrophobicContact CD1-CG 4.06Å; F1000-E1035 HydrophobicContact CE1-CG 4.17Å; K1001-E1035 HydrophobicContact CB-CB 4.48Å; K1001-E1035 HydrophobicContact CB-CG 4.02Å; K1001-E1035 HydrophobicContact CD-CB 4.27Å; K1001-E1035 HydrophobicContact CG-CG 4.24Å; R1004-E1035 IonicContact CZ-OE1 3.84Å; R1004-E1035 IonicContact NE-OE1 3.94Å; R1004-E1035 PolarHBondContact NE-OE1 2.95Å; R1004-E1035 VanDerWaalsContact NH2-CD 3.33Å; R1004-E1035 IonicContact NH2-OE1 3.79Å; R1004-E1035 PolarHBondContact NH2-OE1 2.84Å; R1004-E1035 IonicContact NH2-OE2 2.6Å; R1004-E1035 PolarHBondContact NH2-OE2 2.69Å; Q1011-E1035 PolarHBondContact NE2-OE2 2.92Å; I1031-E1035 WeakPolarHBondContact O-CG 3.05Å; I1031-E1035 PolarHBondContact O-N 3.36Å; C1032-E1035 PolarHBondContact O-N 3.39Å
1036A95.8Very high93.3Very high49 Ų4962.9 Ų62.941%0.40532%0.322SS..THydrogen-bonded Turntrans-98.25.4177.400000114C1032 F1034 Q1038C1032-A1036 VanDerWaalsContact O-CB 3.3Å; C1032-A1036 WeakPolarHBondContact O-CB 3.09Å; C1032-A1036 PolarHBondContact O-N 3.41Å; F1034-A1036 PolarHBondContact O-N 3.44Å; A1036-Q1038 HydrophobicContact CB-CG 3.94Å; A1036-Q1038 WeakPolarHBondContact O-CG 3.09Å; A1036-Q1038 PolarHBondContact O-N 3.04Å; A1036-Q1038 VanDerWaalsContact O-N 3.13Å
1037L95Very high93.7Very high58 Ų5862.4 Ų62.430%0.30432%0.321SS..THydrogen-bonded Turntrans55.825.5-176.7-56.7174.4000114.6E994 A997 R1033 F1034 L1039 M1044E994-L1037 HydrophobicContact CB-CD1 3.8Å; E994-L1037 HydrophobicContact CG-CD1 3.83Å; A997-L1037 HydrophobicContact CB-CD2 3.7Å; A997-L1037 HydrophobicContact CB-CG 4.43Å; R1033-L1037 PolarHBondContact O-N 2.81Å; F1034-L1037 PolarHBondContact O-N 2.9Å; L1037-L1039 VanDerWaalsContact C-N 3.33Å; L1037-L1039 PolarHBondContact O-N 2.93Å; L1037-M1044 HydrophobicContact CB-CE 3.92Å; L1037-M1044 HydrophobicContact CD2-CE 4.09Å; L1037-M1044 HydrophobicContact CD2-SD 3.58Å; L1037-M1044 VanDerWaalsContact CD2-SD 3.58Å; L1037-M1044 WeakPolarHBondContact O-CE 3.49Å
1038Q94.7Very high94Very high136 Ų13662.6 Ų62.664%0.63632%0.317SS*.  trans-91.115.7-178.6-65.5179.72.600114.1R1033 A1036R1033-Q1038 HydrophobicContact CB-CB 4.16Å; R1033-Q1038 HydrophobicContact CG-CB 4.13Å; R1033-Q1038 PolarHBondContact O-N 3.31Å; A1036-Q1038 HydrophobicContact CB-CG 3.94Å; A1036-Q1038 WeakPolarHBondContact O-CG 3.09Å; A1036-Q1038 PolarHBondContact O-N 3.04Å; A1036-Q1038 VanDerWaalsContact O-N 3.13Å
1039L92.5Very high94.1Very high31 Ų3161.7 Ų61.716%0.16232%0.32CS..SBendtrans-100161.2171-61.8178.9000109.7T1030 R1033 F1034 L1037 N1043 M1044 L1047T1030-L1039 HydrophobicContact CG2-CD1 4.47Å; R1033-L1039 HydrophobicContact CB-CD2 3.66Å; R1033-L1039 HydrophobicContact CB-CG 3.86Å; F1034-L1039 HydrophobicContact CB-CD1 3.99Å; F1034-L1039 HydrophobicContact CD2-CD1 4.25Å; L1037-L1039 VanDerWaalsContact C-N 3.33Å; L1037-L1039 PolarHBondContact O-N 2.93Å; L1039-N1043 HydrophobicContact CB-CB 4.27Å; L1039-M1044 HydrophobicContact CB-CG 3.91Å; L1039-M1044 WeakPolarHBondContact O-CE 3.42Å; L1039-L1047 HydrophobicContact CD1-CD1 3.38Å
1040S92.6Very high94Very high66 Ų6660.2 Ų60.246%0.46231%0.309SS..  trans-65.7145.8168.156.60000109.9K1042 N1043 M1044S1040-K1042 VanDerWaalsContact C-N 3.26Å; S1040-K1042 PolarHBondContact O-N 3.31Å; S1040-N1043 WeakPolarHBondContact O-CA 3.45Å; S1040-N1043 WeakPolarHBondContact O-CB 3.3Å; S1040-N1043 PolarHBondContact O-N 3.02Å; S1040-N1043 VanDerWaalsContact OG-CG 3.25Å; S1040-N1043 PolarHBondContact OG-ND2 2.85Å; S1040-M1044 PolarHBondContact O-N 2.8Å
1041F91.7Very high94.1Very high100 Ų10058.5 Ų58.544%0.43930%0.298SS..Hα-helixtrans-44.6-51175.7179.7-98.1000112P988 A990 L993 N1043 M1044 C1045P988-F1041 VanDerWaalsContact O-CZ 3.25Å; P988-F1041 WeakPolarHBondContact O-CZ 3.37Å; A990-F1041 HydrophobicContact CB-CE2 4.47Å; L993-F1041 HydrophobicContact CD1-CD2 3.47Å; L993-F1041 VanDerWaalsContact CD1-CD2 3.47Å; L993-F1041 HydrophobicContact CD1-CE2 3.46Å; L993-F1041 VanDerWaalsContact CD1-CE2 3.46Å; L993-F1041 HydrophobicContact CD1-CG 4.37Å; L993-F1041 HydrophobicContact CD1-CZ 4.36Å; F1041-N1043 PolarHBondContact O-N 2.78Å; F1041-N1043 VanDerWaalsContact O-N 3.12Å; F1041-M1044 WeakPolarHBondContact O-CA 3.39Å; F1041-M1044 WeakPolarHBondContact O-CB 3.36Å; F1041-M1044 PolarHBondContact O-N 2.69Å; F1041-C1045 VanDerWaalsContact CE1-SG 3.56Å; F1041-C1045 PolarHBondContact O-N 3.41Å; F1041-C1045 PolarHBondContact O-SG 2.76Å
1042K92Very high94Very high155 Ų15563.2 Ų63.267%0.67432%0.32SS*.Hα-helixtrans-59.9-23.2176.6-171.1165.4-172.6162.80115.2S1040 K1046S1040-K1042 VanDerWaalsContact C-N 3.26Å; S1040-K1042 PolarHBondContact O-N 3.31Å; K1042-K1046 WeakPolarHBondContact O-CG 3.37Å
1043N92.3Very high93.8Very high78 Ų7865.9 Ų65.942%0.41733%0.326SS..Hα-helixtrans-85.2-35.4170.8-73.7-2.1000111.5L1039 S1040 F1041 K1046 L1047L1039-N1043 HydrophobicContact CB-CB 4.27Å; S1040-N1043 WeakPolarHBondContact O-CA 3.45Å; S1040-N1043 WeakPolarHBondContact O-CB 3.3Å; S1040-N1043 PolarHBondContact O-N 3.02Å; S1040-N1043 VanDerWaalsContact OG-CG 3.25Å; S1040-N1043 PolarHBondContact OG-ND2 2.85Å; F1041-N1043 PolarHBondContact O-N 2.78Å; F1041-N1043 VanDerWaalsContact O-N 3.12Å; N1043-K1046 PolarHBondContact O-N 3.21Å; N1043-L1047 WeakPolarHBondContact O-CG 3.32Å; N1043-L1047 PolarHBondContact O-N 3.26Å; N1043-L1047 VanDerWaalsContact O-N 3.13Å
1044M93.9Very high93.7Very high16 Ų1660.4 Ų60.48%0.07931%0.305CS..Hα-helixtrans-64.4-46.9173.8-61.3-165.1-142.100111.9L993 F1034 L1037 L1039 S1040 F1041 K1046 L1047 K1048L993-M1044 HydrophobicContact CB-SD 4.44Å; L993-M1044 HydrophobicContact CD1-CB 3.86Å; L993-M1044 HydrophobicContact CD1-SD 4.43Å; L993-M1044 HydrophobicContact CD2-CB 3.98Å; L993-M1044 HydrophobicContact CG-CB 4.44Å; F1034-M1044 HydrophobicContact CD2-CB 4.44Å; F1034-M1044 HydrophobicContact CD2-CG 4.36Å; F1034-M1044 HydrophobicContact CE2-CB 4.02Å; F1034-M1044 HydrophobicContact CE2-CG 4.38Å; L1037-M1044 HydrophobicContact CB-CE 3.92Å; L1037-M1044 HydrophobicContact CD2-CE 4.09Å; L1037-M1044 HydrophobicContact CD2-SD 3.58Å; L1037-M1044 VanDerWaalsContact CD2-SD 3.58Å; L1037-M1044 WeakPolarHBondContact O-CE 3.49Å; L1039-M1044 HydrophobicContact CB-CG 3.91Å; L1039-M1044 WeakPolarHBondContact O-CE 3.42Å; S1040-M1044 PolarHBondContact O-N 2.8Å; F1041-M1044 WeakPolarHBondContact O-CA 3.39Å; F1041-M1044 WeakPolarHBondContact O-CB 3.36Å; F1041-M1044 PolarHBondContact O-N 2.69Å; M1044-K1046 PolarHBondContact O-N 3.4Å; M1044-K1046 VanDerWaalsContact O-N 3.12Å; M1044-L1047 PolarHBondContact O-N 3.17Å; M1044-K1048 PolarHBondContact O-N 3.34Å
1045C93.6Very high93.6Very high21 Ų2160.7 Ų60.714%0.14231%0.307CS..Hα-helixtrans-55.9-30.9175.1-52.50000112.6P988 F1041 P1049P988-C1045 HydrophobicContact CG-CB 4.32Å; F1041-C1045 VanDerWaalsContact CE1-SG 3.56Å; F1041-C1045 PolarHBondContact O-N 3.41Å; F1041-C1045 PolarHBondContact O-SG 2.76Å; C1045-P1049 WeakPolarHBondContact O-CD 3.37Å
1046K91.4Very high93.3Very high142 Ų14267.9 Ų67.962%0.61733%0.334SS*.Hα-helixtrans-78.9-25.9176-75.8-178.6171-160.20114.1K1042 N1043 M1044K1042-K1046 WeakPolarHBondContact O-CG 3.37Å; N1043-K1046 PolarHBondContact O-N 3.21Å; M1044-K1046 PolarHBondContact O-N 3.4Å; M1044-K1046 VanDerWaalsContact O-N 3.12Å
1047L92.9Very high93Very high19 Ų1968.3 Ų68.310%0.09933%0.328CS..Hα-helixtrans-93-32.8-178.2-70.8172.2000112.5F1026 T1030 F1034 L1039 N1043 M1044 L1050 L1051F1026-L1047 HydrophobicContact CD1-CD2 3.96Å; F1026-L1047 HydrophobicContact CE1-CD2 3.39Å; F1026-L1047 HydrophobicContact CZ-CD2 3.96Å; T1030-L1047 HydrophobicContact CG2-CD1 3.98Å; F1034-L1047 HydrophobicContact CD2-CB 3.72Å; F1034-L1047 HydrophobicContact CD2-CD1 3.94Å; F1034-L1047 HydrophobicContact CE2-CB 3.72Å; L1039-L1047 HydrophobicContact CD1-CD1 3.38Å; N1043-L1047 WeakPolarHBondContact O-CG 3.32Å; N1043-L1047 PolarHBondContact O-N 3.26Å; N1043-L1047 VanDerWaalsContact O-N 3.13Å; M1044-L1047 PolarHBondContact O-N 3.17Å; L1047-L1050 HydrophobicContact CD2-CD1 4.5Å; L1047-L1050 PolarHBondContact O-N 3.34Å; L1047-L1050 VanDerWaalsContact O-N 3.11Å; L1047-L1051 HydrophobicContact CB-CD1 4.02Å; L1047-L1051 WeakPolarHBondContact O-CB 3.48Å; L1047-L1051 WeakPolarHBondContact O-CG 3.09Å; L1047-L1051 PolarHBondContact O-N 2.66Å
1048K94.5Very high92.8Very high34 Ų3465.8 Ų65.815%0.14832%0.315CS..Hα-helixtrans-49.8-49.3178.9173.2166.5176.4177.80112.4P988 D992 L993 F996 F1034 M1044 L1050 L1051 Q1052P988-K1048 HydrophobicContact CB-CD 4.41Å; D992-K1048 PolarHBondContact O-NZ 2.6Å; L993-K1048 HydrophobicContact CD2-CB 4.06Å; L993-K1048 HydrophobicContact CD2-CD 3.83Å; F996-K1048 HydrophobicContact CB-CD 3.99Å; F996-K1048 HydrophobicContact CD1-CB 4.17Å; F996-K1048 HydrophobicContact CD1-CD 4.01Å; F996-K1048 HydrophobicContact CD1-CG 3.76Å; F996-K1048 HydrophobicContact CD2-CD 4.31Å; F996-K1048 HydrophobicContact CD2-CG 4.2Å; F996-K1048 HydrophobicContact CE1-CB 4.2Å; F996-K1048 HydrophobicContact CE1-CG 3.95Å; F996-K1048 HydrophobicContact CE2-CG 4.37Å; F996-K1048 HydrophobicContact CG-CD 3.81Å; F996-K1048 HydrophobicContact CG-CG 3.9Å; F996-K1048 HydrophobicContact CZ-CG 4.26Å; F1034-K1048 HydrophobicContact CZ-CB 4.27Å; M1044-K1048 PolarHBondContact O-N 3.34Å; K1048-L1050 PolarHBondContact O-N 2.75Å; K1048-L1051 PolarHBondContact O-N 3.1Å; K1048-Q1052 WeakPolarHBondContact O-CB 3.29Å; K1048-Q1052 PolarHBondContact O-N 2.96Å
1049P93.2Very high92.5Very high77 Ų7761.5 Ų61.550%0.530%0.297SS..Hα-helixtrans-60.7-41.9178.3-2535.2000114C1045 Q1052 K1053C1045-P1049 WeakPolarHBondContact O-CD 3.37Å; P1049-Q1052 PolarHBondContact O-N 3.17Å; P1049-K1053 WeakPolarHBondContact O-CB 3.23Å; P1049-K1053 PolarHBondContact O-N 3.48Å
1050L92.3Very high92.1Very high46 Ų4664 Ų6424%0.24132%0.316CS..Hα-helixtrans-67.6-43.3-178.7-55.6178.7000111.5Y1022 F1026 L1047 K1048 W1054Y1022-L1050 HydrophobicContact CD1-CD2 3.8Å; Y1022-L1050 HydrophobicContact CD2-CB 4.41Å; Y1022-L1050 HydrophobicContact CD2-CD2 4.26Å; Y1022-L1050 HydrophobicContact CE1-CD2 3.54Å; Y1022-L1050 HydrophobicContact CE2-CB 3.94Å; Y1022-L1050 HydrophobicContact CE2-CD2 4.05Å; Y1022-L1050 HydrophobicContact CG-CD2 4.14Å; Y1022-L1050 PolarHBondContact OH-O 2.99Å; F1026-L1050 HydrophobicContact CE2-CD1 4.18Å; F1026-L1050 HydrophobicContact CZ-CD1 3.68Å; L1047-L1050 HydrophobicContact CD2-CD1 4.5Å; L1047-L1050 PolarHBondContact O-N 3.34Å; L1047-L1050 VanDerWaalsContact O-N 3.11Å; K1048-L1050 PolarHBondContact O-N 2.75Å; L1050-W1054 WeakPolarHBondContact O-CB 3.33Å; L1050-W1054 PolarHBondContact O-N 3.42Å; L1050-W1054 VanDerWaalsContact O-N 3.08Å
1051L95.3Very high91.2Very high2 Ų263.7 Ų63.71%0.0131%0.313CS..Hα-helixtrans-70.3-38.1177.8-67170.1000111.9F996 F1000 V1014 L1018 I1031 F1034 L1047 K1048 L1055F996-L1051 HydrophobicContact CE1-CB 3.97Å; F996-L1051 HydrophobicContact CE1-CD1 4.49Å; F996-L1051 HydrophobicContact CZ-CB 3.9Å; F1000-L1051 HydrophobicContact CD2-CB 4.03Å; F1000-L1051 HydrophobicContact CE2-CB 3.9Å; F1000-L1051 HydrophobicContact CE2-CD2 3.77Å; F1000-L1051 HydrophobicContact CE2-CG 4.35Å; F1000-L1051 HydrophobicContact CZ-CD2 3.76Å; V1014-L1051 HydrophobicContact CG1-CD2 4.29Å; L1018-L1051 HydrophobicContact CD1-CD2 3.73Å; I1031-L1051 HydrophobicContact CD1-CD2 3.94Å; F1034-L1051 HydrophobicContact CB-CD1 4.4Å; F1034-L1051 HydrophobicContact CD1-CD1 3.47Å; F1034-L1051 VanDerWaalsContact CD1-CD1 3.47Å; F1034-L1051 HydrophobicContact CD2-CD1 3.75Å; F1034-L1051 HydrophobicContact CE1-CD1 3.53Å; F1034-L1051 HydrophobicContact CE2-CD1 3.79Å; F1034-L1051 HydrophobicContact CG-CD1 3.59Å; F1034-L1051 HydrophobicContact CZ-CD1 3.7Å; L1047-L1051 HydrophobicContact CB-CD1 4.02Å; L1047-L1051 WeakPolarHBondContact O-CB 3.48Å; L1047-L1051 WeakPolarHBondContact O-CG 3.09Å; L1047-L1051 PolarHBondContact O-N 2.66Å; K1048-L1051 PolarHBondContact O-N 3.1Å; L1051-L1055 WeakPolarHBondContact O-CB 3.32Å; L1051-L1055 PolarHBondContact O-N 3.34Å
1052Q94.3Very high89.7Confident101 Ų10162.7 Ų62.747%0.47232%0.316SS..Hα-helixtrans-67.9-43.4178.8-174.7171.6-37.200111F996 K1048 P1049 L1055 Y1056F996-Q1052 HydrophobicContact CE2-CB 3.6Å; F996-Q1052 HydrophobicContact CE2-CG 3.93Å; F996-Q1052 HydrophobicContact CZ-CB 3.78Å; K1048-Q1052 WeakPolarHBondContact O-CB 3.29Å; K1048-Q1052 PolarHBondContact O-N 2.96Å; P1049-Q1052 PolarHBondContact O-N 3.17Å; Q1052-L1055 PolarHBondContact O-N 2.92Å; Q1052-Y1056 PolarHBondContact O-N 2.85Å
1053K92.2Very high87.8Confident110 Ų11058.9 Ų58.948%0.47832%0.321SS..Hα-helixtrans-64.6-46.9174.1171.9167.3171.9177.70112Y1022 P1049 L1055 Y1056 E1057Y1022-K1053 WeakPolarHBondContact OH-CB 3.19Å; Y1022-K1053 WeakPolarHBondContact OH-CD 3.17Å; Y1022-K1053 WeakPolarHBondContact OH-CG 3.28Å; P1049-K1053 WeakPolarHBondContact O-CB 3.23Å; P1049-K1053 PolarHBondContact O-N 3.48Å; K1053-L1055 VanDerWaalsContact C-N 3.27Å; K1053-L1055 PolarHBondContact O-N 2.89Å; K1053-Y1056 PolarHBondContact O-N 2.95Å; K1053-E1057 WeakPolarHBondContact CE-OE1 3.24Å; K1053-E1057 IonicContact NZ-OE1 3.41Å; K1053-E1057 WeakPolarHBondContact O-CG 3.47Å; K1053-E1057 PolarHBondContact O-N 3.33Å
1054W93.7Very high85.7Confident11 Ų1159.6 Ų59.64%0.04233%0.328CS..Hα-helixtrans-58.8-40.2174.8171.283000111.9F1000 R1004 Y1009 V1014 L1018 L1021 L1050 E1057 A1058F1000-W1054 AromaticContact CE2-CE3 3.8Å; F1000-W1054 HydrophobicContact CE2-CE3 3.8Å; F1000-W1054 AromaticContact CE2-CZ3 3.82Å; F1000-W1054 HydrophobicContact CE2-CZ3 3.82Å; F1000-W1054 HydrophobicContact CZ-CE3 4.38Å; F1000-W1054 HydrophobicContact CZ-CZ3 4.18Å; R1004-W1054 HydrophobicContact CG-CH2 4.29Å; Y1009-W1054 HydrophobicContact CD1-CZ2 4.24Å; Y1009-W1054 AromaticContact CD2-CH2 3.68Å; Y1009-W1054 HydrophobicContact CD2-CH2 3.68Å; Y1009-W1054 AromaticContact CD2-CZ2 3.7Å; Y1009-W1054 HydrophobicContact CD2-CZ2 3.7Å; Y1009-W1054 HydrophobicContact CE1-CZ2 4.49Å; Y1009-W1054 HydrophobicContact CE2-CH2 4.3Å; Y1009-W1054 HydrophobicContact CE2-CZ2 4.01Å; Y1009-W1054 AromaticContact CG-CH2 3.97Å; Y1009-W1054 HydrophobicContact CG-CH2 3.97Å; Y1009-W1054 AromaticContact CG-CZ2 3.84Å; Y1009-W1054 HydrophobicContact CG-CZ2 3.84Å; V1014-W1054 HydrophobicContact CG1-CD2 4.32Å; V1014-W1054 HydrophobicContact CG1-CE3 4.29Å; V1014-W1054 HydrophobicContact CG1-CZ3 4.49Å; V1014-W1054 HydrophobicContact CG2-CE3 4.34Å; V1014-W1054 HydrophobicContact CG2-CH2 3.43Å; V1014-W1054 VanDerWaalsContact CG2-CH2 3.43Å; V1014-W1054 HydrophobicContact CG2-CZ2 3.64Å; V1014-W1054 HydrophobicContact CG2-CZ3 3.79Å; L1018-W1054 HydrophobicContact CD2-CB 3.55Å; L1018-W1054 HydrophobicContact CD2-CG 3.96Å; L1018-W1054 HydrophobicContact CG-CB 4.48Å; L1018-W1054 HydrophobicContact CG-CG 4.39Å; L1021-W1054 HydrophobicContact CD1-CB 4.17Å; L1021-W1054 HydrophobicContact CD1-CG 4.38Å; L1050-W1054 WeakPolarHBondContact O-CB 3.33Å; L1050-W1054 PolarHBondContact O-N 3.42Å; L1050-W1054 VanDerWaalsContact O-N 3.08Å; W1054-E1057 PolarHBondContact O-N 2.82Å; W1054-A1058 HydrophobicContact CH2-CB 4.1Å; W1054-A1058 HydrophobicContact CZ2-CB 3.94Å; W1054-A1058 VanDerWaalsContact O-CB 3.3Å; W1054-A1058 WeakPolarHBondContact O-CB 3.44Å; W1054-A1058 PolarHBondContact O-N 2.89Å
1055L94.3Very high83.4Confident6 Ų665 Ų653%0.03136%0.362CS..Hα-helixtrans-68.8-36.1-179.2-170.767.7000112.2M999 F1000 R1003 L1007 L1051 Q1052 K1053 A1058 D1059M999-L1055 HydrophobicContact CE-CD2 3.65Å; M999-L1055 HydrophobicContact SD-CD2 3.7Å; F1000-L1055 HydrophobicContact CB-CD2 4.48Å; F1000-L1055 HydrophobicContact CD2-CB 4.43Å; F1000-L1055 HydrophobicContact CD2-CD1 4.49Å; F1000-L1055 HydrophobicContact CD2-CD2 4.1Å; R1003-L1055 HydrophobicContact CB-CD1 3.86Å; R1003-L1055 HydrophobicContact CB-CD2 4.01Å; R1003-L1055 HydrophobicContact CB-CG 4.4Å; R1003-L1055 HydrophobicContact CG-CD1 3.76Å; R1003-L1055 HydrophobicContact CG-CD2 4.13Å; R1003-L1055 HydrophobicContact CG-CG 4.14Å; L1007-L1055 HydrophobicContact CD1-CD1 4.49Å; L1051-L1055 WeakPolarHBondContact O-CB 3.32Å; L1051-L1055 PolarHBondContact O-N 3.34Å; Q1052-L1055 PolarHBondContact O-N 2.92Å; K1053-L1055 VanDerWaalsContact C-N 3.27Å; K1053-L1055 PolarHBondContact O-N 2.89Å; L1055-A1058 PolarHBondContact O-N 3.45Å; L1055-D1059 WeakPolarHBondContact O-CB 3.5Å; L1055-D1059 PolarHBondContact O-N 2.83Å
1056Y92.2Very high81.3Confident168 Ų16869.6 Ų69.666%0.65939%0.385SS*.Hα-helixtrans-64.1-46.5172-179.4-93.5000111.6Q1052 K1053 A1058 D1059 C1060Q1052-Y1056 PolarHBondContact O-N 2.85Å; K1053-Y1056 PolarHBondContact O-N 2.95Å; Y1056-A1058 VanDerWaalsContact C-N 3.31Å; Y1056-A1058 PolarHBondContact O-N 3.44Å; Y1056-D1059 PolarHBondContact O-N 2.87Å; Y1056-C1060 WeakPolarHBondContact O-CB 3.26Å; Y1056-C1060 PolarHBondContact O-N 3.33Å; Y1056-C1060 PolarHBondContact O-SG 2.68Å
1057E89.5Confident79.4Confident58 Ų5866.1 Ų66.127%0.27137%0.373SS..Hα-helixtrans-60.9-39.4175.4-70.6169.717200111.9L1021 K1053 W1054 S1061L1021-E1057 WeakPolarHBondContact CD1-OE2 3.27Å; L1021-E1057 WeakPolarHBondContact CD2-OE2 3.32Å; K1053-E1057 WeakPolarHBondContact CE-OE1 3.24Å; K1053-E1057 IonicContact NZ-OE1 3.41Å; K1053-E1057 WeakPolarHBondContact O-CG 3.47Å; K1053-E1057 PolarHBondContact O-N 3.33Å; W1054-E1057 PolarHBondContact O-N 2.82Å; E1057-S1061 VanDerWaalsContact O-CB 3.31Å; E1057-S1061 WeakPolarHBondContact O-CB 3.42Å; E1057-S1061 PolarHBondContact O-N 2.92Å; E1057-S1061 PolarHBondContact O-OG 3.05Å
1058A89.6Confident77.6Confident5 Ų569.5 Ų69.54%0.04139%0.391CS..Hα-helixtrans-68.9-45.8176.900000112.7L1007 Y1009 W1054 L1055 Y1056 C1060 S1061 T1062L1007-A1058 HydrophobicContact CD1-CB 3.68Å; Y1009-A1058 HydrophobicContact CE2-CB 4.01Å; W1054-A1058 HydrophobicContact CH2-CB 4.1Å; W1054-A1058 HydrophobicContact CZ2-CB 3.94Å; W1054-A1058 VanDerWaalsContact O-CB 3.3Å; W1054-A1058 WeakPolarHBondContact O-CB 3.44Å; W1054-A1058 PolarHBondContact O-N 2.89Å; L1055-A1058 PolarHBondContact O-N 3.45Å; Y1056-A1058 VanDerWaalsContact C-N 3.31Å; Y1056-A1058 PolarHBondContact O-N 3.44Å; A1058-C1060 VanDerWaalsContact C-N 3.34Å; A1058-C1060 PolarHBondContact O-N 3.48Å; A1058-S1061 PolarHBondContact O-N 2.92Å; A1058-T1062 PolarHBondContact O-N 3.48Å; A1058-T1062 PolarHBondContact O-OG1 3.47Å
1059D87.9Confident75.5Confident46 Ų4673 Ų7325%0.24641%0.411CS..Hα-helixtrans-58.1-45.6174.3-94.7-2.4000110.9R1003 L1055 Y1056 S1061 T1062R1003-D1059 IonicContact CZ-OD1 2.59Å; R1003-D1059 IonicContact CZ-OD2 3.18Å; R1003-D1059 VanDerWaalsContact NE-CG 3.29Å; R1003-D1059 IonicContact NE-OD1 2.69Å; R1003-D1059 PolarHBondContact NE-OD1 2.59Å; R1003-D1059 IonicContact NE-OD2 3.02Å; R1003-D1059 PolarHBondContact NE-OD2 3.08Å; R1003-D1059 VanDerWaalsContact NH2-CG 3.3Å; R1003-D1059 IonicContact NH2-OD1 2.8Å; R1003-D1059 PolarHBondContact NH2-OD1 2.97Å; R1003-D1059 IonicContact NH2-OD2 3.54Å; R1003-D1059 PolarHBondContact NH2-OD2 2.89Å; L1055-D1059 WeakPolarHBondContact O-CB 3.5Å; L1055-D1059 PolarHBondContact O-N 2.83Å; Y1056-D1059 PolarHBondContact O-N 2.87Å; D1059-S1061 VanDerWaalsContact C-N 3.32Å; D1059-S1061 PolarHBondContact O-N 2.88Å; D1059-T1062 WeakPolarHBondContact O-CB 3.3Å; D1059-T1062 PolarHBondContact O-N 3.17Å; D1059-T1062 PolarHBondContact O-OG1 2.9Å
1060C84.6Confident73.6Confident83 Ų8376.2 Ų76.256%0.56142%0.417SS*.Hα-helixtrans-64.9-33.7176.8-65.40000113Y1056 A1058 T1062Y1056-C1060 WeakPolarHBondContact O-CB 3.26Å; Y1056-C1060 PolarHBondContact O-N 3.33Å; Y1056-C1060 PolarHBondContact O-SG 2.68Å; A1058-C1060 VanDerWaalsContact C-N 3.34Å; A1058-C1060 PolarHBondContact O-N 3.48Å; C1060-T1062 VanDerWaalsContact C-N 3.26Å; C1060-T1062 PolarHBondContact O-N 2.99Å
1061S72.8Confident71.9Confident59 Ų5976.1 Ų76.141%0.41342%0.416SS..Hα-helixtrans-77-7.9-178.4-60.40000114.2E1057 A1058 D1059 G1063 T1064E1057-S1061 VanDerWaalsContact O-CB 3.31Å; E1057-S1061 WeakPolarHBondContact O-CB 3.42Å; E1057-S1061 PolarHBondContact O-N 2.92Å; E1057-S1061 PolarHBondContact O-OG 3.05Å; A1058-S1061 PolarHBondContact O-N 2.92Å; D1059-S1061 VanDerWaalsContact C-N 3.32Å; D1059-S1061 PolarHBondContact O-N 2.88Å; S1061-G1063 PolarHBondContact O-N 3.34Å; S1061-G1063 VanDerWaalsContact O-N 3.1Å; S1061-T1064 PolarHBondContact O-N 3.41Å
1062T60.4Low70Confident80 Ų8080.1 Ų80.149%0.49144%0.441SS..THydrogen-bonded Turntrans-70.8-8.1-169.1-630000114L1007 A1058 D1059 C1060 T1064L1007-T1062 HydrophobicContact CD2-CG2 4.02Å; L1007-T1062 VanDerWaalsContact CD2-OG1 3.31Å; L1007-T1062 WeakPolarHBondContact CD2-OG1 3.46Å; A1058-T1062 PolarHBondContact O-N 3.48Å; A1058-T1062 PolarHBondContact O-OG1 3.47Å; D1059-T1062 WeakPolarHBondContact O-CB 3.3Å; D1059-T1062 PolarHBondContact O-N 3.17Å; D1059-T1062 PolarHBondContact O-OG1 2.9Å; C1060-T1062 VanDerWaalsContact C-N 3.26Å; C1060-T1062 PolarHBondContact O-N 2.99Å; T1062-T1064 VanDerWaalsContact C-N 3.33Å; T1062-T1064 PolarHBondContact O-N 3.17Å
1063G53.9Low68Low75 Ų7580.4 Ų80.477%0.77345%0.45SS*.THydrogen-bonded Turntrans-71.8-14.8176.100000116S1061S1061-G1063 PolarHBondContact O-N 3.34Å; S1061-G1063 VanDerWaalsContact O-N 3.1Å
1064T46.8Very low66.2Low93 Ų9381.2 Ų81.257%0.57146%0.455SS*.  trans-132.7112.5179.3580000112.1S1061 T1062 N1066S1061-T1064 PolarHBondContact O-N 3.41Å; T1062-T1064 VanDerWaalsContact C-N 3.33Å; T1062-T1064 PolarHBondContact O-N 3.17Å; T1064-N1066 PolarHBondContact O-N 2.67Å
1065T45.3Very low63.7Low128 Ų12884 Ų8479%0.78549%0.488SS*.THydrogen-bonded Turntrans-70.39.1-171.147.30000115.8
1066N50.5Low61.6Low118 Ų11894.3 Ų94.363%0.63153%0.527SS*.THydrogen-bonded Turntrans-112.914.6-161.3-57.33.7000113.6T1064T1064-N1066 PolarHBondContact O-N 2.67Å
1067N52.1Low59.6Low70 Ų7096.2 Ų96.237%0.37454%0.538SS..SBendtrans-105.3-8.8-179-90.5-31.1000114.6D1069 K1070N1067-D1069 PolarHBondContact O-N 2.6Å; N1067-K1070 PolarHBondContact O-N 2.88Å
1068L53.9Low57.8Low90 Ų90100.2 Ų100.247%0.47155%0.551SS.*THydrogen-bonded Turntrans-64.4-40.7-178-168.763.2000111.9Y1009 K1070 I1071 T1072Y1009-L1068 HydrophobicContact CD1-CD1 4.34Å; Y1009-L1068 HydrophobicContact CE1-CD1 4.06Å; L1068-K1070 PolarHBondContact O-N 3.16Å; L1068-K1070 VanDerWaalsContact O-N 3.17Å; L1068-I1071 PolarHBondContact O-N 3.26Å; L1068-T1072 PolarHBondContact O-N 2.81Å
1069D51.6Low56.2Low108 Ų108108.3 Ų108.358%0.57859%0.585SS**Hα-helixtrans-63.1-24.5-177.1-49.1-47.4000113.5N1067 T1073N1067-D1069 PolarHBondContact O-N 2.6Å; D1069-T1073 WeakPolarHBondContact O-CG2 3.37Å; D1069-T1073 PolarHBondContact O-OG1 3.45Å
1070K51.9Low54.7Low144 Ų144114.9 Ų114.963%0.62661%0.612SS**Hα-helixtrans-83.5-15.6178.9-64.7-176.8-180176.20113.7N1067 L1068N1067-K1070 PolarHBondContact O-N 2.88Å; L1068-K1070 PolarHBondContact O-N 3.16Å; L1068-K1070 VanDerWaalsContact O-N 3.17Å
1071I57.7Low53.8Low43 Ų43122.2 Ų122.222%0.22163%0.627CS.*Hα-helixtrans-95.1-40.2-179.2-60.1172.7000110.4Y1009 A1017 L1068 T1073Y1009-I1071 HydrophobicContact CE1-CD1 4.24Å; A1017-I1071 HydrophobicContact CB-CG2 4.31Å; L1068-I1071 PolarHBondContact O-N 3.26Å; I1071-T1073 VanDerWaalsContact C-N 3.35Å; I1071-T1073 PolarHBondContact O-N 3.29Å
1072T55.6Low54Low87 Ų87122.9 Ų122.953%0.53463%0.629SS.*Hα-helixtrans-68.7-29.5-178.6-168.90000113.6L1068L1068-T1072 PolarHBondContact O-N 2.81Å
1073T51.3Low55Low106 Ų106123.8 Ų123.865%0.6564%0.638SS**THydrogen-bonded Turntrans-83-12.9-172.643.60000115.6D1069 I1071 G1075D1069-T1073 WeakPolarHBondContact O-CG2 3.37Å; D1069-T1073 PolarHBondContact O-OG1 3.45Å; I1071-T1073 VanDerWaalsContact C-N 3.35Å; I1071-T1073 PolarHBondContact O-N 3.29Å; T1073-G1075 VanDerWaalsContact C-N 3.33Å; T1073-G1075 PolarHBondContact O-N 2.91Å
1074Q54.3Low56.5Low127 Ų127122.1 Ų122.159%0.59361%0.612SS**  trans-84.871.1-179-65.1-158.94.200112.7R1076Q1074-R1076 PolarHBondContact O-N 2.95Å
1075G42.4Very low58.6Low71 Ų71124.5 Ų124.573%0.73262%0.616SS**  trans-66.650.718000000116.2T1073 K1077T1073-G1075 VanDerWaalsContact C-N 3.33Å; T1073-G1075 PolarHBondContact O-N 2.91Å; G1075-K1077 PolarHBondContact O-N 2.83Å; G1075-K1077 VanDerWaalsContact O-N 3.13Å
1076R49.8Very low60.7Low222 Ų222123.7 Ų123.784%0.83861%0.606SS**  trans-72.4106.7-177.7-154.4174-167.5-1754.6110.7Q1074 R1078Q1074-R1076 PolarHBondContact O-N 2.95Å; R1076-R1078 PolarHBondContact O-N 2.83Å; R1076-R1078 VanDerWaalsContact O-N 3.08Å
1077K50Low62.7Low208 Ų208120.3 Ų120.390%0.90460%0.599SS**  trans-47.6111.6-171.9-67.7-178.2179.1178.50112.9G1075 K1079G1075-K1077 PolarHBondContact O-N 2.83Å; G1075-K1077 VanDerWaalsContact O-N 3.13Å; K1077-K1079 PolarHBondContact O-N 3.25Å
1078R50.9Low64.6Low142 Ų142118.2 Ų118.254%0.53659%0.589SS.*PPolyproline II helixtrans-55.8128.5175.9-156.8-174.1-164116.3-38.4109.6R1076 K1080R1076-R1078 PolarHBondContact O-N 2.83Å; R1076-R1078 VanDerWaalsContact O-N 3.08Å; R1078-K1080 PolarHBondContact O-N 3.28Å; R1078-K1080 VanDerWaalsContact O-N 3.1Å
1079K56.8Low66.5Low175 Ų175117.5 Ų117.576%0.76158%0.582SS**PPolyproline II helixtrans-54.5118.7-176.6-172.8172.1179.9178.30110.4K1077 R1081K1077-K1079 PolarHBondContact O-N 3.25Å; K1079-R1081 PolarHBondContact O-N 3.01Å
1080K55.6Low68.5Low184 Ų184113.7 Ų113.780%0.857%0.568SS**PPolyproline II helixtrans-54.7132.2-178.6-172.3174.9-178.6177.10109.4R1078 T1082R1078-K1080 PolarHBondContact O-N 3.28Å; R1078-K1080 VanDerWaalsContact O-N 3.1Å; K1080-T1082 PolarHBondContact O-N 3.47Å
1081R66.5Low70.5Confident236 Ų236110.9 Ų110.989%0.89156%0.559SS**PPolyproline II helixtrans-62.2124.6175.9179.9-176.4-178-173.91108.8K1079 S1083K1079-R1081 PolarHBondContact O-N 3.01Å; R1081-S1083 PolarHBondContact O-N 3.01Å
1082T76.4Confident72.4Confident74 Ų74108.8 Ų108.845%0.45455%0.548SS..  trans-59.3113.7178.2-40.30000110.7K1080 V1120K1080-T1082 PolarHBondContact O-N 3.47Å; T1082-V1120 HydrophobicContact CG2-CG1 3.99Å; T1082-V1120 HydrophobicContact CG2-CG2 3.95Å
1083S81.1Confident74.3Confident98 Ų98106.8 Ų106.869%0.68553%0.533SS*.  trans-76.2127.5165.243.40000108.7R1081R1081-S1083 PolarHBondContact O-N 3.01Å
1084I86.5Confident76.3Confident41 Ų41106.7 Ų106.721%0.2153%0.528CS..  trans-106.7120171.1-63.1167.4000106.1V1088 K1089 L1092 V1120 W1124I1084-V1088 HydrophobicContact CG2-CB 4.09Å; I1084-V1088 HydrophobicContact CG2-CG1 3.79Å; I1084-K1089 HydrophobicContact CG2-CB 4.2Å; I1084-L1092 HydrophobicContact CG2-CD1 3.92Å; I1084-V1120 HydrophobicContact CD1-CG1 3.77Å; I1084-V1120 HydrophobicContact CG1-CG1 4.03Å; I1084-W1124 HydrophobicContact CD1-CB 4.25Å; I1084-W1124 HydrophobicContact CD1-CG 4.19Å
1085E90.1Very high78.2Confident143 Ų143102.7 Ų102.767%0.66851%0.51SS*.  trans-59.6155.2-178.5-61.6-177.1177.600112.3G1087 V1088 K1089E1085-G1087 VanDerWaalsContact C-N 3.31Å; E1085-G1087 PolarHBondContact O-N 3.48Å; E1085-V1088 HydrophobicContact CB-CB 4.3Å; E1085-V1088 HydrophobicContact CB-CG2 4.1Å; E1085-V1088 PolarHBondContact O-N 2.88Å; E1085-K1089 VanDerWaalsContact O-CB 3.26Å; E1085-K1089 WeakPolarHBondContact O-CB 3.49Å; E1085-K1089 PolarHBondContact O-N 3.44Å
1086I89.9Confident80.8Confident110 Ų11099.8 Ų99.856%0.56448%0.477SS*.Hα-helixtrans-66.6-31.8-174.9-162.1164.4000112.9G1090 Y1394I1086-G1090 PolarHBondContact O-N 3.47Å; I1086-Y1394 HydrophobicContact CB-CE1 4.47Å; I1086-Y1394 HydrophobicContact CD1-CE1 4.3Å
1087G91.4Very high82.9Confident48 Ų4895.4 Ų95.450%0.49547%0.469SS..Hα-helixtrans-68.1-51172.600000112.4E1085 K1089 G1090 I1091E1085-G1087 VanDerWaalsContact C-N 3.31Å; E1085-G1087 PolarHBondContact O-N 3.48Å; G1087-K1089 VanDerWaalsContact C-N 3.3Å; G1087-K1089 PolarHBondContact O-N 2.73Å; G1087-G1090 WeakPolarHBondContact O-CA 3.15Å; G1087-G1090 PolarHBondContact O-N 3.31Å; G1087-I1091 PolarHBondContact O-N 3.41Å; G1087-I1091 VanDerWaalsContact O-N 3.08Å
1088V93.6Very high84.9Confident25 Ų2593.7 Ų93.715%0.15246%0.461CS..Hα-helixtrans-57.2-43.1175.1178.20000111.2I1084 E1085 G1090 I1091 L1092 L1114 L1116I1084-V1088 HydrophobicContact CG2-CB 4.09Å; I1084-V1088 HydrophobicContact CG2-CG1 3.79Å; E1085-V1088 HydrophobicContact CB-CB 4.3Å; E1085-V1088 HydrophobicContact CB-CG2 4.1Å; E1085-V1088 PolarHBondContact O-N 2.88Å; V1088-G1090 VanDerWaalsContact C-N 3.33Å; V1088-G1090 PolarHBondContact O-N 3.28Å; V1088-I1091 PolarHBondContact O-N 3.14Å; V1088-L1092 HydrophobicContact CG1-CD1 4.19Å; V1088-L1092 WeakPolarHBondContact O-CG 3.5Å; V1088-L1092 PolarHBondContact O-N 3.13Å; V1088-L1114 HydrophobicContact CG1-CB 4.18Å; V1088-L1114 HydrophobicContact CG1-CD1 4.07Å; V1088-L1114 HydrophobicContact CG1-CD2 4.21Å; V1088-L1114 HydrophobicContact CG1-CG 4.39Å; V1088-L1116 HydrophobicContact CG1-CD1 3.63Å; V1088-L1116 HydrophobicContact CG1-CG 4.14Å
1089K93.2Very high86.8Confident75 Ų7590.9 Ų90.933%0.32645%0.454SS..Hα-helixtrans-59-40.3171.8176.2-177.5167.9-68.60112.2I1084 E1085 G1087 L1092 E1093I1084-K1089 HydrophobicContact CG2-CB 4.2Å; E1085-K1089 VanDerWaalsContact O-CB 3.26Å; E1085-K1089 WeakPolarHBondContact O-CB 3.49Å; E1085-K1089 PolarHBondContact O-N 3.44Å; G1087-K1089 VanDerWaalsContact C-N 3.3Å; G1087-K1089 PolarHBondContact O-N 2.73Å; K1089-L1092 PolarHBondContact O-N 2.91Å; K1089-E1093 IonicContact NZ-OE1 3.17Å; K1089-E1093 IonicContact NZ-OE2 2.92Å; K1089-E1093 PolarHBondContact NZ-OE2 3.21Å; K1089-E1093 WeakPolarHBondContact O-CG 3.35Å; K1089-E1093 PolarHBondContact O-N 2.77Å
1090G94.2Very high88.5Confident28 Ų2885.1 Ų85.129%0.28944%0.435SS..Hα-helixtrans-61.6-42.917600000112.7I1086 G1087 V1088 E1093 N1094I1086-G1090 PolarHBondContact O-N 3.47Å; G1087-G1090 WeakPolarHBondContact O-CA 3.15Å; G1087-G1090 PolarHBondContact O-N 3.31Å; V1088-G1090 VanDerWaalsContact C-N 3.33Å; V1088-G1090 PolarHBondContact O-N 3.28Å; G1090-E1093 PolarHBondContact O-N 2.93Å; G1090-N1094 PolarHBondContact O-N 2.66Å
1091I94Very high90.4Very high85 Ų8584.6 Ų84.644%0.43643%0.432SS..Hα-helixtrans-65.5-43.4176.1-57.8165.5000110.6G1087 V1088 E1093 N1094 H1095 L1110 L1114G1087-I1091 PolarHBondContact O-N 3.41Å; G1087-I1091 VanDerWaalsContact O-N 3.08Å; V1088-I1091 PolarHBondContact O-N 3.14Å; I1091-E1093 VanDerWaalsContact C-N 3.34Å; I1091-E1093 PolarHBondContact O-N 3.39Å; I1091-N1094 PolarHBondContact O-N 2.84Å; I1091-H1095 PolarHBondContact O-N 2.86Å; I1091-L1110 HydrophobicContact CG2-CD1 4.47Å; I1091-L1114 HydrophobicContact CB-CD2 3.96Å; I1091-L1114 HydrophobicContact CD1-CD2 3.65Å; I1091-L1114 HydrophobicContact CG1-CD2 4.42Å; I1091-L1114 HydrophobicContact CG2-CD2 3.87Å
1092L96.6Very high91.6Very high0 Ų074 Ų740%040%0.395CS..Hα-helixtrans-59.7-40.8174-71.8167.6000112.2I1084 V1088 K1089 H1095 F1096 L1110 L1114 L1116 V1121 W1124 F1125I1084-L1092 HydrophobicContact CG2-CD1 3.92Å; V1088-L1092 HydrophobicContact CG1-CD1 4.19Å; V1088-L1092 WeakPolarHBondContact O-CG 3.5Å; V1088-L1092 PolarHBondContact O-N 3.13Å; K1089-L1092 PolarHBondContact O-N 2.91Å; L1092-H1095 PolarHBondContact O-N 3.49Å; L1092-F1096 VanDerWaalsContact O-CB 3.29Å; L1092-F1096 WeakPolarHBondContact O-CB 2.95Å; L1092-F1096 PolarHBondContact O-N 2.85Å; L1092-L1110 HydrophobicContact CD2-CD2 3.99Å; L1092-L1110 HydrophobicContact CD2-CG 4.26Å; L1092-L1114 HydrophobicContact CD1-CD1 4.36Å; L1092-L1114 HydrophobicContact CD2-CD1 3.56Å; L1092-L1114 HydrophobicContact CG-CD1 3.66Å; L1092-L1116 HydrophobicContact CD1-CD1 4.17Å; L1092-V1121 HydrophobicContact CD2-CG1 4.02Å; L1092-V1121 HydrophobicContact CD2-CG2 4.46Å; L1092-W1124 HydrophobicContact CB-CD2 3.93Å; L1092-W1124 HydrophobicContact CB-CE3 3.84Å; L1092-W1124 HydrophobicContact CB-CH2 3.73Å; L1092-W1124 HydrophobicContact CB-CZ2 3.78Å; L1092-W1124 HydrophobicContact CB-CZ3 3.75Å; L1092-W1124 HydrophobicContact CD1-CD2 3.96Å; L1092-W1124 HydrophobicContact CD1-CE3 4.44Å; L1092-W1124 HydrophobicContact CD1-CG 4Å; L1092-W1124 HydrophobicContact CD2-CD2 4.48Å; L1092-W1124 HydrophobicContact CD2-CE3 4.16Å; L1092-W1124 HydrophobicContact CG-CD2 4.36Å; L1092-W1124 HydrophobicContact CG-CE3 4.38Å; L1092-W1124 VanDerWaalsContact O-CH2 3.3Å; L1092-W1124 WeakPolarHBondContact O-CH2 3.4Å; L1092-W1124 WeakPolarHBondContact O-CZ3 3.46Å; L1092-F1125 HydrophobicContact CD2-CE2 3.89Å
1093E95.8Very high92.5Very high44 Ų4476.3 Ų76.321%0.20640%0.403CS..Hα-helixtrans-69.4-36.7176.2-70.9-170.7129.100112.9K1089 G1090 I1091 F1096 I1097 W1124 R1128K1089-E1093 IonicContact NZ-OE1 3.17Å; K1089-E1093 IonicContact NZ-OE2 2.92Å; K1089-E1093 PolarHBondContact NZ-OE2 3.21Å; K1089-E1093 WeakPolarHBondContact O-CG 3.35Å; K1089-E1093 PolarHBondContact O-N 2.77Å; G1090-E1093 PolarHBondContact O-N 2.93Å; I1091-E1093 VanDerWaalsContact C-N 3.34Å; I1091-E1093 PolarHBondContact O-N 3.39Å; E1093-F1096 WeakPolarHBondContact O-CB 3.25Å; E1093-F1096 PolarHBondContact O-N 3.17Å; E1093-I1097 WeakPolarHBondContact O-CG1 2.99Å; E1093-I1097 PolarHBondContact O-N 3.19Å; E1093-I1097 VanDerWaalsContact O-N 3.09Å; E1093-W1124 HydrophobicContact CB-CH2 4.47Å; E1093-W1124 HydrophobicContact CG-CH2 3.73Å; E1093-W1124 HydrophobicContact CG-CZ2 3.49Å; E1093-W1124 VanDerWaalsContact CG-CZ2 3.49Å; E1093-R1128 IonicContact OE1-CZ 2.95Å; E1093-R1128 IonicContact OE1-NE 2.64Å; E1093-R1128 PolarHBondContact OE1-NE 3.35Å; E1093-R1128 IonicContact OE1-NH2 2.76Å
1094N94.3Very high93.1Very high104 Ų10474.9 Ų74.956%0.55640%0.398SS*.Hα-helixtrans-64.8-41.4172.2-72.6-19.6000112.1G1090 I1091 F1096 I1097 K1098G1090-N1094 PolarHBondContact O-N 2.66Å; I1091-N1094 PolarHBondContact O-N 2.84Å; N1094-F1096 VanDerWaalsContact C-N 3.35Å; N1094-I1097 PolarHBondContact O-N 2.89Å; N1094-K1098 PolarHBondContact O-N 3.41Å
1095H94.2Very high93.5Very high44 Ų4478.2 Ų78.220%0.20441%0.412CS..Hα-helixtrans-69.8-32.9175.7-161.6-54.8000112.1I1091 L1092 I1097 K1098 Q1099 L1110 F1125I1091-H1095 PolarHBondContact O-N 2.86Å; L1092-H1095 PolarHBondContact O-N 3.49Å; H1095-I1097 VanDerWaalsContact C-N 3.35Å; H1095-K1098 PolarHBondContact O-N 3Å; H1095-Q1099 PolarHBondContact CE1-OE1 3.38Å; H1095-Q1099 PolarHBondContact O-N 3.39Å; H1095-L1110 HydrophobicContact CB-CD2 3.97Å; H1095-F1125 HydrophobicContact CB-CZ 4.11Å; H1095-F1125 AromaticContact ND1-CZ 3.86Å
1096F95.7Very high93.7Very high9 Ų972.8 Ų72.84%0.03939%0.388CS..Hα-helixtrans-64-37.1174.2-173.6-87.5000113.1L1092 E1093 N1094 Q1099 P1100 W1124 F1125 R1128 R1129 Q1132L1092-F1096 VanDerWaalsContact O-CB 3.29Å; L1092-F1096 WeakPolarHBondContact O-CB 2.95Å; L1092-F1096 PolarHBondContact O-N 2.85Å; E1093-F1096 WeakPolarHBondContact O-CB 3.25Å; E1093-F1096 PolarHBondContact O-N 3.17Å; N1094-F1096 VanDerWaalsContact C-N 3.35Å; F1096-Q1099 CarbonylContact O-C 3.17Å; F1096-P1100 HydrophobicContact CD2-CB 4.46Å; F1096-P1100 HydrophobicContact CE1-CB 4.13Å; F1096-P1100 HydrophobicContact CE2-CB 4.07Å; F1096-P1100 HydrophobicContact CZ-CB 3.88Å; F1096-P1100 WeakPolarHBondContact O-CA 3.32Å; F1096-W1124 HydrophobicContact CB-CH2 3.89Å; F1096-W1124 HydrophobicContact CB-CZ3 3.92Å; F1096-W1124 HydrophobicContact CD2-CH2 4.35Å; F1096-W1124 HydrophobicContact CD2-CZ3 4Å; F1096-W1124 HydrophobicContact CG-CH2 4.3Å; F1096-W1124 HydrophobicContact CG-CZ3 4.31Å; F1096-F1125 HydrophobicContact CB-CE1 4.08Å; F1096-F1125 AromaticContact CD2-CD1 3.69Å; F1096-F1125 HydrophobicContact CD2-CD1 3.69Å; F1096-F1125 AromaticContact CD2-CE1 3.98Å; F1096-F1125 HydrophobicContact CD2-CE1 3.98Å; F1096-F1125 HydrophobicContact CE2-CD1 4.41Å; F1096-F1125 HydrophobicContact CG-CE1 4.5Å; F1096-R1128 HydrophobicContact CB-CG 4.45Å; F1096-R1128 HydrophobicContact CD1-CG 3.82Å; F1096-R1128 HydrophobicContact CD2-CB 3.71Å; F1096-R1128 HydrophobicContact CD2-CG 3.43Å; F1096-R1128 VanDerWaalsContact CD2-CG 3.43Å; F1096-R1128 HydrophobicContact CE1-CG 3.87Å; F1096-R1128 HydrophobicContact CE2-CB 3.56Å; F1096-R1128 HydrophobicContact CE2-CG 3.47Å; F1096-R1128 VanDerWaalsContact CE2-CG 3.47Å; F1096-R1128 HydrophobicContact CG-CB 4.4Å; F1096-R1128 HydrophobicContact CG-CG 3.62Å; F1096-R1128 HydrophobicContact CZ-CB 4.15Å; F1096-R1128 HydrophobicContact CZ-CG 3.71Å; F1096-R1129 HydrophobicContact CE2-CB 4.42Å; F1096-R1129 HydrophobicContact CE2-CG 3.66Å; F1096-R1129 HydrophobicContact CZ-CB 4.5Å; F1096-R1129 HydrophobicContact CZ-CG 3.89Å; F1096-Q1132 VanDerWaalsContact CE1-OE1 3.27Å; F1096-Q1132 VanDerWaalsContact CZ-OE1 3.3Å
1097I93.8Very high94Very high130 Ų13068.4 Ų68.467%0.66737%0.365SS*.Hα-helixtrans-67.1-40175.9-68.2162.4000110.7E1093 N1094 H1095E1093-I1097 WeakPolarHBondContact O-CG1 2.99Å; E1093-I1097 PolarHBondContact O-N 3.19Å; E1093-I1097 VanDerWaalsContact O-N 3.09Å; N1094-I1097 PolarHBondContact O-N 2.89Å; H1095-I1097 VanDerWaalsContact C-N 3.35Å
1098K92.4Very high94.2Very high172 Ų17268.5 Ų68.575%0.74835%0.354SS*.Hα-helixtrans-67.4-46.6175.3-67.5179.4178-175.40112.6N1094 H1095N1094-K1098 PolarHBondContact O-N 3.41Å; H1095-K1098 PolarHBondContact O-N 3Å
1099Q90.9Very high94.3Very high83 Ų8372.3 Ų72.339%0.38837%0.37SS..  trans-145.597.2-174.8-73.5176.8-25.400109.7H1095 F1096 K1101 P1102 F1125H1095-Q1099 PolarHBondContact CE1-OE1 3.38Å; H1095-Q1099 PolarHBondContact O-N 3.39Å; F1096-Q1099 CarbonylContact O-C 3.17Å; Q1099-K1101 VanDerWaalsContact C-N 3.25Å; Q1099-K1101 PolarHBondContact O-N 2.82Å; Q1099-P1102 WeakPolarHBondContact O-CD 3.45Å; Q1099-F1125 WeakPolarHBondContact O-CE1 3.24Å
1100P93.1Very high94.4Very high54 Ų5469.3 Ų69.335%0.35136%0.358SS..SBendtrans-75.2-15178.928.6-34.9000113.1F1096 R1129F1096-P1100 HydrophobicContact CD2-CB 4.46Å; F1096-P1100 HydrophobicContact CE1-CB 4.13Å; F1096-P1100 HydrophobicContact CE2-CB 4.07Å; F1096-P1100 HydrophobicContact CZ-CB 3.88Å; F1096-P1100 WeakPolarHBondContact O-CA 3.32Å; P1100-R1129 VanDerWaalsContact O-CD 3.26Å; P1100-R1129 WeakPolarHBondContact O-CD 3.44Å; P1100-R1129 WeakPolarHBondContact O-CG 3.38Å; P1100-R1129 PolarHBondContact O-NH1 3.04Å
1101K94.4Very high94.5Very high173 Ų17368.1 Ų68.175%0.75235%0.345SS*.SBendtrans-121.868.5172.9-63.7177.6-176.5172.60109.7Q1099Q1099-K1101 VanDerWaalsContact C-N 3.25Å; Q1099-K1101 PolarHBondContact O-N 2.82Å
1102P92.7Very high94.5Very high15 Ų1569.6 Ų69.610%0.09735%0.354CS..  trans-64.2149.9177.629.5-35.6000111Q1099 D1106 I1107 F1125Q1099-P1102 WeakPolarHBondContact O-CD 3.45Å; P1102-D1106 HydrophobicContact CB-CB 4Å; P1102-I1107 HydrophobicContact CB-CG1 4.08Å; P1102-I1107 HydrophobicContact CG-CD1 4.09Å; P1102-I1107 HydrophobicContact CG-CG1 3.75Å; P1102-F1125 HydrophobicContact CB-CE1 4.49Å; P1102-F1125 VanDerWaalsContact CD-CD1 3.43Å; P1102-F1125 HydrophobicContact CG-CD1 3.52Å; P1102-F1125 HydrophobicContact CG-CD2 4.27Å; P1102-F1125 HydrophobicContact CG-CE1 3.59Å; P1102-F1125 HydrophobicContact CG-CE2 4.36Å; P1102-F1125 HydrophobicContact CG-CG 3.88Å; P1102-F1125 HydrophobicContact CG-CZ 4.03Å
1103L94.1Very high94.4Very high121 Ų12175.2 Ų75.263%0.63439%0.388SS*.  trans-69.9163.9176.6-68.3152.5000110.9Q1105 D1106 I1107L1103-Q1105 PolarHBondContact O-N 3.12Å; L1103-Q1105 VanDerWaalsContact O-N 3.15Å; L1103-D1106 WeakPolarHBondContact CB-OD2 3.41Å; L1103-D1106 PolarHBondContact N-OD2 2.9Å; L1103-D1106 PolarHBondContact O-N 3.45Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.28Å; L1103-I1107 PolarHBondContact O-N 3.16Å
1104A94.7Very high94.3Very high69 Ų6974.3 Ų74.357%0.5738%0.384SS*.Hα-helixtrans-60.3-25.417800000113.3I1108A1104-I1108 WeakPolarHBondContact O-CD1 3.12Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.32Å
1105Q94.7Very high94.3Very high111 Ų11172.8 Ų72.852%0.51939%0.393SS..Hα-helixtrans-78.1-46.6175.9-171.369.2-1000111.7L1103 I1107 I1108 Q1109L1103-Q1105 PolarHBondContact O-N 3.12Å; L1103-Q1105 VanDerWaalsContact O-N 3.15Å; Q1105-I1107 PolarHBondContact O-N 2.86Å; Q1105-I1108 WeakPolarHBondContact O-CA 3.36Å; Q1105-I1108 WeakPolarHBondContact O-CB 3.4Å; Q1105-I1108 PolarHBondContact O-N 2.76Å; Q1105-Q1109 PolarHBondContact O-N 2.97Å
1106D94.8Very high94.2Very high28 Ų2872.4 Ų72.415%0.1539%0.393CS..Hα-helixtrans-60-37.4176.8-36.4-22.9000110.9P1102 L1103 I1108 Q1109 L1110P1102-D1106 HydrophobicContact CB-CB 4Å; L1103-D1106 WeakPolarHBondContact CB-OD2 3.41Å; L1103-D1106 PolarHBondContact N-OD2 2.9Å; L1103-D1106 PolarHBondContact O-N 3.45Å; D1106-I1108 VanDerWaalsContact C-N 3.28Å; D1106-I1108 PolarHBondContact O-N 3.23Å; D1106-Q1109 PolarHBondContact O-N 3.01Å; D1106-L1110 WeakPolarHBondContact O-CB 3.45Å; D1106-L1110 PolarHBondContact O-N 2.66Å
1107I96.2Very high94.1Very high19 Ų1977.3 Ų77.310%0.09742%0.415CS..Hα-helixtrans-63.9-31.2174.4-66.8170000112P1102 L1103 Q1105 A1111 K1118 V1121 R1122P1102-I1107 HydrophobicContact CB-CG1 4.08Å; P1102-I1107 HydrophobicContact CG-CD1 4.09Å; P1102-I1107 HydrophobicContact CG-CG1 3.75Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.28Å; L1103-I1107 PolarHBondContact O-N 3.16Å; Q1105-I1107 PolarHBondContact O-N 2.86Å; I1107-A1111 WeakPolarHBondContact O-CB 2.84Å; I1107-A1111 PolarHBondContact O-N 3.1Å; I1107-K1118 HydrophobicContact CG2-CG 4.08Å; I1107-V1121 HydrophobicContact CG2-CB 4.32Å; I1107-V1121 HydrophobicContact CG2-CG1 4.17Å; I1107-R1122 HydrophobicContact CD1-CG 4.28Å; I1107-R1122 HydrophobicContact CG2-CB 4.08Å
1108I95.6Very high94.2Very high49 Ų4976.1 Ų76.125%0.25141%0.406SS..Hα-helixtrans-73.3-54.1173.6-65.4161.2000109.3A1104 Q1105 D1106 L1110 A1111 D1112 K1118A1104-I1108 WeakPolarHBondContact O-CD1 3.12Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.32Å; Q1105-I1108 WeakPolarHBondContact O-CA 3.36Å; Q1105-I1108 WeakPolarHBondContact O-CB 3.4Å; Q1105-I1108 PolarHBondContact O-N 2.76Å; D1106-I1108 VanDerWaalsContact C-N 3.28Å; D1106-I1108 PolarHBondContact O-N 3.23Å; I1108-L1110 VanDerWaalsContact C-N 3.26Å; I1108-L1110 PolarHBondContact O-N 3.41Å; I1108-A1111 WeakPolarHBondContact O-CA 3.42Å; I1108-A1111 WeakPolarHBondContact O-CB 3.19Å; I1108-A1111 PolarHBondContact O-N 3.18Å; I1108-D1112 WeakPolarHBondContact CG2-OD2 3.14Å; I1108-D1112 VanDerWaalsContact O-CG 3.22Å; I1108-D1112 PolarHBondContact O-N 2.97Å; I1108-K1118 HydrophobicContact CG1-CD 3.77Å; I1108-K1118 HydrophobicContact CG1-CG 4.19Å
1109Q95.2Very high94.2Very high106 Ų10671.8 Ų71.850%0.49539%0.388SS..Hα-helixtrans-56.3-41.1-179.7-66.2177.95.800112.3Q1105 D1106 D1112 V1113Q1105-Q1109 PolarHBondContact O-N 2.97Å; D1106-Q1109 PolarHBondContact O-N 3.01Å; Q1109-D1112 PolarHBondContact O-N 2.79Å; Q1109-V1113 VanDerWaalsContact O-CB 3.31Å; Q1109-V1113 WeakPolarHBondContact O-CB 3.48Å; Q1109-V1113 WeakPolarHBondContact O-CG2 3.25Å; Q1109-V1113 PolarHBondContact O-N 3.04Å
1110L95.2Very high94.4Very high12 Ų1268.7 Ų68.76%0.06337%0.374CS..Hα-helixtrans-73.8-25.3177.4-173.660.6000113I1091 L1092 H1095 D1106 I1108 L1114 V1121 F1125I1091-L1110 HydrophobicContact CG2-CD1 4.47Å; L1092-L1110 HydrophobicContact CD2-CD2 3.99Å; L1092-L1110 HydrophobicContact CD2-CG 4.26Å; H1095-L1110 HydrophobicContact CB-CD2 3.97Å; D1106-L1110 WeakPolarHBondContact O-CB 3.45Å; D1106-L1110 PolarHBondContact O-N 2.66Å; I1108-L1110 VanDerWaalsContact C-N 3.26Å; I1108-L1110 PolarHBondContact O-N 3.41Å; L1110-L1114 HydrophobicContact CD1-CD1 3.73Å; L1110-L1114 HydrophobicContact CD1-CG 4.11Å; L1110-L1114 HydrophobicContact CG-CD1 3.93Å; L1110-L1114 VanDerWaalsContact O-CB 3.25Å; L1110-L1114 WeakPolarHBondContact O-CB 3.39Å; L1110-L1114 WeakPolarHBondContact O-CD1 3.26Å; L1110-L1114 WeakPolarHBondContact O-CG 3.47Å; L1110-L1114 PolarHBondContact O-N 2.98Å; L1110-V1121 HydrophobicContact CD2-CG1 4.11Å; L1110-V1121 HydrophobicContact CG-CG1 4.32Å; L1110-F1125 HydrophobicContact CD2-CE2 3.53Å; L1110-F1125 HydrophobicContact CD2-CZ 3.74Å
1111A95.8Very high94.5Very high2 Ų266.1 Ų66.12%0.01736%0.358CS..Hα-helixtrans-72.2-47.6170.600000110.7I1107 I1108 V1113 L1114 G1115 L1116 K1118 V1121I1107-A1111 WeakPolarHBondContact O-CB 2.84Å; I1107-A1111 PolarHBondContact O-N 3.1Å; I1108-A1111 WeakPolarHBondContact O-CA 3.42Å; I1108-A1111 WeakPolarHBondContact O-CB 3.19Å; I1108-A1111 PolarHBondContact O-N 3.18Å; A1111-V1113 PolarHBondContact O-N 2.96Å; A1111-L1114 CarbonylContact O-C 3.54Å; A1111-L1114 PolarHBondContact O-N 2.77Å; A1111-G1115 PolarHBondContact O-N 3.2Å; A1111-L1116 WeakPolarHBondContact CB-O 3.24Å; A1111-L1116 PolarHBondContact O-N 3.41Å; A1111-K1118 HydrophobicContact CB-CB 4.42Å; A1111-V1121 HydrophobicContact CB-CB 4.48Å; A1111-V1121 HydrophobicContact CB-CG2 3.89Å
1112D95.2Very high94.6Very high117 Ų11762.8 Ų62.863%0.62634%0.34SS*.Hα-helixtrans-59.4-46.9177.3-58.6-23.3000111.4I1108 Q1109 L1114 G1115I1108-D1112 WeakPolarHBondContact CG2-OD2 3.14Å; I1108-D1112 VanDerWaalsContact O-CG 3.22Å; I1108-D1112 PolarHBondContact O-N 2.97Å; Q1109-D1112 PolarHBondContact O-N 2.79Å; D1112-L1114 VanDerWaalsContact C-N 3.28Å; D1112-L1114 PolarHBondContact O-N 2.83Å; D1112-G1115 PolarHBondContact O-N 2.81Å
1113V94.1Very high94.7Very high118 Ų11864.6 Ų64.672%0.71535%0.351SS*.Hα-helixtrans-66.9-24.4178.51670000113.3Q1109 A1111Q1109-V1113 VanDerWaalsContact O-CB 3.31Å; Q1109-V1113 WeakPolarHBondContact O-CB 3.48Å; Q1109-V1113 WeakPolarHBondContact O-CG2 3.25Å; Q1109-V1113 PolarHBondContact O-N 3.04Å; A1111-V1113 PolarHBondContact O-N 2.96Å
1114L94.1Very high94.8Very high24 Ų2460.2 Ų60.213%0.12633%0.326CS..Hα-helixtrans-102.4-1-179.2-65.8178.1000114.1V1088 I1091 L1092 L1110 A1111 D1112 L1116V1088-L1114 HydrophobicContact CG1-CB 4.18Å; V1088-L1114 HydrophobicContact CG1-CD1 4.07Å; V1088-L1114 HydrophobicContact CG1-CD2 4.21Å; V1088-L1114 HydrophobicContact CG1-CG 4.39Å; I1091-L1114 HydrophobicContact CB-CD2 3.96Å; I1091-L1114 HydrophobicContact CD1-CD2 3.65Å; I1091-L1114 HydrophobicContact CG1-CD2 4.42Å; I1091-L1114 HydrophobicContact CG2-CD2 3.87Å; L1092-L1114 HydrophobicContact CD1-CD1 4.36Å; L1092-L1114 HydrophobicContact CD2-CD1 3.56Å; L1092-L1114 HydrophobicContact CG-CD1 3.66Å; L1110-L1114 HydrophobicContact CD1-CD1 3.73Å; L1110-L1114 HydrophobicContact CD1-CG 4.11Å; L1110-L1114 HydrophobicContact CG-CD1 3.93Å; L1110-L1114 VanDerWaalsContact O-CB 3.25Å; L1110-L1114 WeakPolarHBondContact O-CB 3.39Å; L1110-L1114 WeakPolarHBondContact O-CD1 3.26Å; L1110-L1114 WeakPolarHBondContact O-CG 3.47Å; L1110-L1114 PolarHBondContact O-N 2.98Å; A1111-L1114 CarbonylContact O-C 3.54Å; A1111-L1114 PolarHBondContact O-N 2.77Å; D1112-L1114 VanDerWaalsContact C-N 3.28Å; D1112-L1114 PolarHBondContact O-N 2.83Å; L1114-L1116 HydrophobicContact CB-CB 4.45Å; L1114-L1116 HydrophobicContact CB-CD1 4.31Å; L1114-L1116 HydrophobicContact CB-CG 4.09Å; L1114-L1116 HydrophobicContact CD1-CD1 4.47Å; L1114-L1116 PolarHBondContact O-N 3.26Å
1115G92.9Very high94.9Very high73 Ų7357 Ų5775%0.75330%0.299SS*.THydrogen-bonded Turntrans61.225.4-173.200000113.7A1111 D1112A1111-G1115 PolarHBondContact O-N 3.2Å; D1112-G1115 PolarHBondContact O-N 2.81Å
1116L93.6Very high94.8Very high36 Ų3653.2 Ų53.219%0.18829%0.285CS..  trans-103.7154.9-178.1-71.3-174.8000111.8V1088 L1092 A1111 L1114 K1118 V1120 V1121V1088-L1116 HydrophobicContact CG1-CD1 3.63Å; V1088-L1116 HydrophobicContact CG1-CG 4.14Å; L1092-L1116 HydrophobicContact CD1-CD1 4.17Å; A1111-L1116 WeakPolarHBondContact CB-O 3.24Å; A1111-L1116 PolarHBondContact O-N 3.41Å; L1114-L1116 HydrophobicContact CB-CB 4.45Å; L1114-L1116 HydrophobicContact CB-CD1 4.31Å; L1114-L1116 HydrophobicContact CB-CG 4.09Å; L1114-L1116 HydrophobicContact CD1-CD1 4.47Å; L1114-L1116 PolarHBondContact O-N 3.26Å; L1116-K1118 PolarHBondContact O-N 2.85Å; L1116-V1120 HydrophobicContact CD1-CG1 4.33Å; L1116-V1121 HydrophobicContact CB-CG2 3.84Å; L1116-V1121 HydrophobicContact CD1-CG2 3.95Å
1117E93.4Very high94.8Very high111 Ų11156.2 Ų56.252%0.51930%0.301SS..  trans-64.8133.8167.7-175.3-177.7-168.700110.4E1119 V1120 V1121E1117-E1119 HydrophobicContact CG-CB 4.18Å; E1117-E1119 PolarHBondContact O-N 3.42Å; E1117-E1119 VanDerWaalsContact O-N 3.07Å; E1117-V1120 HydrophobicContact CB-CB 4.31Å; E1117-V1120 HydrophobicContact CB-CG2 3.91Å; E1117-V1120 WeakPolarHBondContact O-CA 3.19Å; E1117-V1120 WeakPolarHBondContact O-CB 3.3Å; E1117-V1120 PolarHBondContact O-N 2.97Å; E1117-V1121 PolarHBondContact O-N 2.9Å; E1117-V1121 VanDerWaalsContact O-N 3.17Å
1118K94.5Very high94.8Very high106 Ų10658.3 Ų58.346%0.46131%0.308SS..Hα-helixtrans-45.3-41.2175.2-178.7-172.8-179.2172.60113.1I1107 I1108 A1111 L1116 R1122I1107-K1118 HydrophobicContact CG2-CG 4.08Å; I1108-K1118 HydrophobicContact CG1-CD 3.77Å; I1108-K1118 HydrophobicContact CG1-CG 4.19Å; A1111-K1118 HydrophobicContact CB-CB 4.42Å; L1116-K1118 PolarHBondContact O-N 2.85Å; K1118-R1122 WeakPolarHBondContact O-CB 3.23Å; K1118-R1122 PolarHBondContact O-N 3Å
1119E94.2Very high94.7Very high81 Ų8159.9 Ų59.938%0.37931%0.31SS..Hα-helixtrans-68-37.6178.7179.659.2-170.400112.4E1117 R1122 V1123E1117-E1119 HydrophobicContact CG-CB 4.18Å; E1117-E1119 PolarHBondContact O-N 3.42Å; E1117-E1119 VanDerWaalsContact O-N 3.07Å; E1119-R1122 VanDerWaalsContact CD-NH2 3.32Å; E1119-R1122 PolarHBondContact O-N 2.58Å; E1119-R1122 IonicContact OE1-CZ 2.71Å; E1119-R1122 IonicContact OE1-NE 3.35Å; E1119-R1122 IonicContact OE1-NH2 2.69Å; E1119-R1122 PolarHBondContact OE1-NH2 2.77Å; E1119-R1122 IonicContact OE2-CZ 2.69Å; E1119-R1122 IonicContact OE2-NE 2.69Å; E1119-R1122 PolarHBondContact OE2-NE 3Å; E1119-R1122 IonicContact OE2-NH2 2.6Å; E1119-R1122 PolarHBondContact OE2-NH2 3.4Å; E1119-R1122 VanDerWaalsContact OE2-NH2 3.16Å; E1119-V1123 HydrophobicContact CG-CG2 4.31Å; E1119-V1123 VanDerWaalsContact O-CB 3.27Å; E1119-V1123 WeakPolarHBondContact O-CB 3.38Å; E1119-V1123 VanDerWaalsContact O-CG2 3.24Å; E1119-V1123 WeakPolarHBondContact O-CG2 3.26Å; E1119-V1123 PolarHBondContact O-N 2.8Å; E1119-V1123 VanDerWaalsContact OE1-CG2 3.28Å; E1119-V1123 WeakPolarHBondContact OE1-CG2 3.31Å
1120V94.3Very high94.3Very high17 Ų1759.2 Ų59.210%0.10331%0.307CS..Hα-helixtrans-63.7-44.9176173.20000110.5T1082 I1084 L1116 E1117 W1124T1082-V1120 HydrophobicContact CG2-CG1 3.99Å; T1082-V1120 HydrophobicContact CG2-CG2 3.95Å; I1084-V1120 HydrophobicContact CD1-CG1 3.77Å; I1084-V1120 HydrophobicContact CG1-CG1 4.03Å; L1116-V1120 HydrophobicContact CD1-CG1 4.33Å; E1117-V1120 HydrophobicContact CB-CB 4.31Å; E1117-V1120 HydrophobicContact CB-CG2 3.91Å; E1117-V1120 WeakPolarHBondContact O-CA 3.19Å; E1117-V1120 WeakPolarHBondContact O-CB 3.3Å; E1117-V1120 PolarHBondContact O-N 2.97Å; V1120-W1124 VanDerWaalsContact O-CB 3.25Å; V1120-W1124 WeakPolarHBondContact O-CB 3.36Å; V1120-W1124 PolarHBondContact O-N 2.76Å
1121V96Very high94.1Very high0 Ų064.5 Ų64.50%033%0.33CS..Hα-helixtrans-62.8-49.1174.6179.20000110.6L1092 I1107 L1110 A1111 L1116 E1117 V1123 W1124 F1125L1092-V1121 HydrophobicContact CD2-CG1 4.02Å; L1092-V1121 HydrophobicContact CD2-CG2 4.46Å; I1107-V1121 HydrophobicContact CG2-CB 4.32Å; I1107-V1121 HydrophobicContact CG2-CG1 4.17Å; L1110-V1121 HydrophobicContact CD2-CG1 4.11Å; L1110-V1121 HydrophobicContact CG-CG1 4.32Å; A1111-V1121 HydrophobicContact CB-CB 4.48Å; A1111-V1121 HydrophobicContact CB-CG2 3.89Å; L1116-V1121 HydrophobicContact CB-CG2 3.84Å; L1116-V1121 HydrophobicContact CD1-CG2 3.95Å; E1117-V1121 PolarHBondContact O-N 2.9Å; E1117-V1121 VanDerWaalsContact O-N 3.17Å; V1121-V1123 PolarHBondContact O-N 3.48Å; V1121-W1124 WeakPolarHBondContact O-CB 3.46Å; V1121-W1124 PolarHBondContact O-N 3.49Å; V1121-W1124 VanDerWaalsContact O-N 3.16Å; V1121-F1125 HydrophobicContact CG1-CD2 3.91Å; V1121-F1125 HydrophobicContact CG1-CE2 3.91Å; V1121-F1125 WeakPolarHBondContact O-CD2 3.37Å; V1121-F1125 PolarHBondContact O-N 3.26Å
1122R95.9Very high93.6Very high103 Ų10368.6 Ų68.639%0.38935%0.349SS..Hα-helixtrans-56.5-46.9178.3-167.4-167.47078.22.8112.3I1107 K1118 E1119 F1125 C1126I1107-R1122 HydrophobicContact CD1-CG 4.28Å; I1107-R1122 HydrophobicContact CG2-CB 4.08Å; K1118-R1122 WeakPolarHBondContact O-CB 3.23Å; K1118-R1122 PolarHBondContact O-N 3Å; E1119-R1122 VanDerWaalsContact CD-NH2 3.32Å; E1119-R1122 PolarHBondContact O-N 2.58Å; E1119-R1122 IonicContact OE1-CZ 2.71Å; E1119-R1122 IonicContact OE1-NE 3.35Å; E1119-R1122 IonicContact OE1-NH2 2.69Å; E1119-R1122 PolarHBondContact OE1-NH2 2.77Å; E1119-R1122 IonicContact OE2-CZ 2.69Å; E1119-R1122 IonicContact OE2-NE 2.69Å; E1119-R1122 PolarHBondContact OE2-NE 3Å; E1119-R1122 IonicContact OE2-NH2 2.6Å; E1119-R1122 PolarHBondContact OE2-NH2 3.4Å; E1119-R1122 VanDerWaalsContact OE2-NH2 3.16Å; R1122-F1125 PolarHBondContact O-N 2.77Å; R1122-C1126 PolarHBondContact O-N 3.12Å; R1122-C1126 VanDerWaalsContact O-N 3.11Å; R1122-C1126 PolarHBondContact O-SG 3.37Å
1123V94.1Very high93.1Very high53 Ų5369.8 Ų69.832%0.32135%0.348SS..Hα-helixtrans-66.7-39.3177.8167.70000111.1E1119 V1121 C1126 N1127E1119-V1123 HydrophobicContact CG-CG2 4.31Å; E1119-V1123 VanDerWaalsContact O-CB 3.27Å; E1119-V1123 WeakPolarHBondContact O-CB 3.38Å; E1119-V1123 VanDerWaalsContact O-CG2 3.24Å; E1119-V1123 WeakPolarHBondContact O-CG2 3.26Å; E1119-V1123 PolarHBondContact O-N 2.8Å; E1119-V1123 VanDerWaalsContact OE1-CG2 3.28Å; E1119-V1123 WeakPolarHBondContact OE1-CG2 3.31Å; V1121-V1123 PolarHBondContact O-N 3.48Å; V1123-C1126 PolarHBondContact O-N 2.87Å; V1123-N1127 WeakPolarHBondContact CG1-ND2 3.36Å; V1123-N1127 WeakPolarHBondContact O-CB 3.13Å; V1123-N1127 VanDerWaalsContact O-CG 3.26Å; V1123-N1127 PolarHBondContact O-N 3.46Å; V1123-N1127 PolarHBondContact O-ND2 2.83Å
1124W96.2Very high92.6Very high30 Ų3072.4 Ų72.411%0.11435%0.345CS..Hα-helixtrans-60-48175.3-176.796.9000111.6I1084 L1092 E1093 F1096 V1120 V1121 C1126 N1127 R1128I1084-W1124 HydrophobicContact CD1-CB 4.25Å; I1084-W1124 HydrophobicContact CD1-CG 4.19Å; L1092-W1124 HydrophobicContact CB-CD2 3.93Å; L1092-W1124 HydrophobicContact CB-CE3 3.84Å; L1092-W1124 HydrophobicContact CB-CH2 3.73Å; L1092-W1124 HydrophobicContact CB-CZ2 3.78Å; L1092-W1124 HydrophobicContact CB-CZ3 3.75Å; L1092-W1124 HydrophobicContact CD1-CD2 3.96Å; L1092-W1124 HydrophobicContact CD1-CE3 4.44Å; L1092-W1124 HydrophobicContact CD1-CG 4Å; L1092-W1124 HydrophobicContact CD2-CD2 4.48Å; L1092-W1124 HydrophobicContact CD2-CE3 4.16Å; L1092-W1124 HydrophobicContact CG-CD2 4.36Å; L1092-W1124 HydrophobicContact CG-CE3 4.38Å; L1092-W1124 VanDerWaalsContact O-CH2 3.3Å; L1092-W1124 WeakPolarHBondContact O-CH2 3.4Å; L1092-W1124 WeakPolarHBondContact O-CZ3 3.46Å; E1093-W1124 HydrophobicContact CB-CH2 4.47Å; E1093-W1124 HydrophobicContact CG-CH2 3.73Å; E1093-W1124 HydrophobicContact CG-CZ2 3.49Å; E1093-W1124 VanDerWaalsContact CG-CZ2 3.49Å; F1096-W1124 HydrophobicContact CB-CH2 3.89Å; F1096-W1124 HydrophobicContact CB-CZ3 3.92Å; F1096-W1124 HydrophobicContact CD2-CH2 4.35Å; F1096-W1124 HydrophobicContact CD2-CZ3 4Å; F1096-W1124 HydrophobicContact CG-CH2 4.3Å; F1096-W1124 HydrophobicContact CG-CZ3 4.31Å; V1120-W1124 VanDerWaalsContact O-CB 3.25Å; V1120-W1124 WeakPolarHBondContact O-CB 3.36Å; V1120-W1124 PolarHBondContact O-N 2.76Å; V1121-W1124 WeakPolarHBondContact O-CB 3.46Å; V1121-W1124 PolarHBondContact O-N 3.49Å; V1121-W1124 VanDerWaalsContact O-N 3.16Å; W1124-C1126 VanDerWaalsContact C-N 3.33Å; W1124-C1126 PolarHBondContact O-N 3.47Å; W1124-N1127 PolarHBondContact O-N 2.9Å; W1124-R1128 HydrophobicContact CE3-CB 4.28Å; W1124-R1128 HydrophobicContact CH2-CB 3.85Å; W1124-R1128 HydrophobicContact CH2-CG 3.57Å; W1124-R1128 HydrophobicContact CZ2-CB 4.14Å; W1124-R1128 HydrophobicContact CZ2-CG 3.97Å; W1124-R1128 HydrophobicContact CZ3-CB 3.94Å; W1124-R1128 HydrophobicContact CZ3-CG 4.08Å; W1124-R1128 WeakPolarHBondContact O-CB 3.46Å; W1124-R1128 PolarHBondContact O-N 3.21Å
1125F96.8Very high91.8Very high1 Ų175.3 Ų75.30%0.00436%0.361CS..Hα-helixtrans-62.2-39.3176.6-89.2-95000112.2L1092 H1095 F1096 Q1099 P1102 L1110 V1121 R1122 R1128 R1129L1092-F1125 HydrophobicContact CD2-CE2 3.89Å; H1095-F1125 HydrophobicContact CB-CZ 4.11Å; H1095-F1125 AromaticContact ND1-CZ 3.86Å; F1096-F1125 HydrophobicContact CB-CE1 4.08Å; F1096-F1125 AromaticContact CD2-CD1 3.69Å; F1096-F1125 HydrophobicContact CD2-CD1 3.69Å; F1096-F1125 AromaticContact CD2-CE1 3.98Å; F1096-F1125 HydrophobicContact CD2-CE1 3.98Å; F1096-F1125 HydrophobicContact CE2-CD1 4.41Å; F1096-F1125 HydrophobicContact CG-CE1 4.5Å; Q1099-F1125 WeakPolarHBondContact O-CE1 3.24Å; P1102-F1125 HydrophobicContact CB-CE1 4.49Å; P1102-F1125 VanDerWaalsContact CD-CD1 3.43Å; P1102-F1125 HydrophobicContact CG-CD1 3.52Å; P1102-F1125 HydrophobicContact CG-CD2 4.27Å; P1102-F1125 HydrophobicContact CG-CE1 3.59Å; P1102-F1125 HydrophobicContact CG-CE2 4.36Å; P1102-F1125 HydrophobicContact CG-CG 3.88Å; P1102-F1125 HydrophobicContact CG-CZ 4.03Å; L1110-F1125 HydrophobicContact CD2-CE2 3.53Å; L1110-F1125 HydrophobicContact CD2-CZ 3.74Å; V1121-F1125 HydrophobicContact CG1-CD2 3.91Å; V1121-F1125 HydrophobicContact CG1-CE2 3.91Å; V1121-F1125 WeakPolarHBondContact O-CD2 3.37Å; V1121-F1125 PolarHBondContact O-N 3.26Å; R1122-F1125 PolarHBondContact O-N 2.77Å; F1125-R1128 PolarHBondContact O-N 3.03Å; F1125-R1129 PolarHBondContact O-N 2.94Å
1126C94Very high91Very high32 Ų3275.9 Ų75.922%0.21635%0.346CS..Hα-helixtrans-62-46.3174.7-66.40000111.7R1122 V1123 W1124 R1129 Q1130R1122-C1126 PolarHBondContact O-N 3.12Å; R1122-C1126 VanDerWaalsContact O-N 3.11Å; R1122-C1126 PolarHBondContact O-SG 3.37Å; V1123-C1126 PolarHBondContact O-N 2.87Å; W1124-C1126 VanDerWaalsContact C-N 3.33Å; W1124-C1126 PolarHBondContact O-N 3.47Å; C1126-R1129 PolarHBondContact O-N 2.75Å; C1126-R1129 PolarHBondContact SG-NH2 2.78Å; C1126-R1129 VanDerWaalsContact SG-NH2 3.42Å; C1126-Q1130 WeakPolarHBondContact O-CG 3.4Å; C1126-Q1130 PolarHBondContact O-N 2.82Å
1127N94.3Very high89.5Confident91 Ų9177.9 Ų77.949%0.48736%0.362SS..Hα-helixtrans-65.2-38.2177.3-71.4-25.3000112V1123 W1124 Q1130 K1131V1123-N1127 WeakPolarHBondContact CG1-ND2 3.36Å; V1123-N1127 WeakPolarHBondContact O-CB 3.13Å; V1123-N1127 VanDerWaalsContact O-CG 3.26Å; V1123-N1127 PolarHBondContact O-N 3.46Å; V1123-N1127 PolarHBondContact O-ND2 2.83Å; W1124-N1127 PolarHBondContact O-N 2.9Å; N1127-Q1130 PolarHBondContact O-N 3.05Å; N1127-K1131 PolarHBondContact O-N 3.22Å
1128R94.7Very high87.9Confident62 Ų6277.5 Ų77.523%0.23436%0.362CS..Hα-helixtrans-68.7-38.2178.4-16965.2177.267.2-0.9112.2E1093 F1096 W1124 F1125 K1131 Q1132E1093-R1128 IonicContact OE1-CZ 2.95Å; E1093-R1128 IonicContact OE1-NE 2.64Å; E1093-R1128 PolarHBondContact OE1-NE 3.35Å; E1093-R1128 IonicContact OE1-NH2 2.76Å; F1096-R1128 HydrophobicContact CB-CG 4.45Å; F1096-R1128 HydrophobicContact CD1-CG 3.82Å; F1096-R1128 HydrophobicContact CD2-CB 3.71Å; F1096-R1128 HydrophobicContact CD2-CG 3.43Å; F1096-R1128 VanDerWaalsContact CD2-CG 3.43Å; F1096-R1128 HydrophobicContact CE1-CG 3.87Å; F1096-R1128 HydrophobicContact CE2-CB 3.56Å; F1096-R1128 HydrophobicContact CE2-CG 3.47Å; F1096-R1128 VanDerWaalsContact CE2-CG 3.47Å; F1096-R1128 HydrophobicContact CG-CB 4.4Å; F1096-R1128 HydrophobicContact CG-CG 3.62Å; F1096-R1128 HydrophobicContact CZ-CB 4.15Å; F1096-R1128 HydrophobicContact CZ-CG 3.71Å; W1124-R1128 HydrophobicContact CE3-CB 4.28Å; W1124-R1128 HydrophobicContact CH2-CB 3.85Å; W1124-R1128 HydrophobicContact CH2-CG 3.57Å; W1124-R1128 HydrophobicContact CZ2-CB 4.14Å; W1124-R1128 HydrophobicContact CZ2-CG 3.97Å; W1124-R1128 HydrophobicContact CZ3-CB 3.94Å; W1124-R1128 HydrophobicContact CZ3-CG 4.08Å; W1124-R1128 WeakPolarHBondContact O-CB 3.46Å; W1124-R1128 PolarHBondContact O-N 3.21Å; F1125-R1128 PolarHBondContact O-N 3.03Å; R1128-K1131 PolarHBondContact O-N 3.33Å; R1128-Q1132 PolarHBondContact O-N 3.49Å
1129R94.4Very high86.1Confident82 Ų8279 Ų7931%0.30938%0.375SS..Hα-helixtrans-63.3-44.5168.7-75.1-163-64.2-80-0.3112.2F1096 P1100 F1125 C1126 K1131 Q1132 K1133F1096-R1129 HydrophobicContact CE2-CB 4.42Å; F1096-R1129 HydrophobicContact CE2-CG 3.66Å; F1096-R1129 HydrophobicContact CZ-CB 4.5Å; F1096-R1129 HydrophobicContact CZ-CG 3.89Å; P1100-R1129 VanDerWaalsContact O-CD 3.26Å; P1100-R1129 WeakPolarHBondContact O-CD 3.44Å; P1100-R1129 WeakPolarHBondContact O-CG 3.38Å; P1100-R1129 PolarHBondContact O-NH1 3.04Å; F1125-R1129 PolarHBondContact O-N 2.94Å; C1126-R1129 PolarHBondContact O-N 2.75Å; C1126-R1129 PolarHBondContact SG-NH2 2.78Å; C1126-R1129 VanDerWaalsContact SG-NH2 3.42Å; R1129-K1131 VanDerWaalsContact C-N 3.32Å; R1129-K1131 PolarHBondContact O-N 2.81Å; R1129-Q1132 PolarHBondContact O-N 3.38Å; R1129-K1133 PolarHBondContact O-N 3.45Å
1130Q87.5Confident84Confident93 Ų9379.8 Ų79.844%0.43538%0.381SS..Hα-helixtrans-62.4-39.1176-72.5-171.824.600112.2C1126 N1127 Q1132 K1133 R1134C1126-Q1130 WeakPolarHBondContact O-CG 3.4Å; C1126-Q1130 PolarHBondContact O-N 2.82Å; N1127-Q1130 PolarHBondContact O-N 3.05Å; Q1130-Q1132 VanDerWaalsContact C-N 3.34Å; Q1130-K1133 PolarHBondContact O-N 3.16Å; Q1130-R1134 WeakPolarHBondContact O-CG 3.42Å; Q1130-R1134 PolarHBondContact O-N 3.2Å
1131K89.3Confident81.2Confident123 Ų12381.9 Ų81.954%0.53541%0.406SS..Hα-helixtrans-62.5-41.6174.6-169.7178.5-180-176.70111.2N1127 R1128 R1129 R1134 L1135N1127-K1131 PolarHBondContact O-N 3.22Å; R1128-K1131 PolarHBondContact O-N 3.33Å; R1129-K1131 VanDerWaalsContact C-N 3.32Å; R1129-K1131 PolarHBondContact O-N 2.81Å; K1131-R1134 PolarHBondContact O-N 3.15Å; K1131-L1135 HydrophobicContact CG-CD1 4.01Å; K1131-L1135 WeakPolarHBondContact O-CG 3.09Å; K1131-L1135 PolarHBondContact O-N 3.41Å; K1131-L1135 VanDerWaalsContact O-N 3.09Å
1132Q87.1Confident78.4Confident88 Ų8887 Ų8741%0.41144%0.442SS..Hα-helixtrans-62.4-47.4175.2-173.2179.1200112.3F1096 R1128 R1129 Q1130 R1134 L1135 N1136F1096-Q1132 VanDerWaalsContact CE1-OE1 3.27Å; F1096-Q1132 VanDerWaalsContact CZ-OE1 3.3Å; R1128-Q1132 PolarHBondContact O-N 3.49Å; R1129-Q1132 PolarHBondContact O-N 3.38Å; Q1130-Q1132 VanDerWaalsContact C-N 3.34Å; Q1132-R1134 VanDerWaalsContact C-N 3.26Å; Q1132-R1134 PolarHBondContact O-N 2.67Å; Q1132-L1135 PolarHBondContact O-N 2.82Å; Q1132-L1135 VanDerWaalsContact O-N 3.09Å; Q1132-N1136 PolarHBondContact O-N 2.75Å; Q1132-N1136 VanDerWaalsContact O-N 3.11Å
1133K83.5Confident75.5Confident141 Ų14187.2 Ų87.261%0.61346%0.455SS*.Hα-helixtrans-60.8-31.1176-76.4-152.7171.7-157.60113.2R1129 Q1130R1129-K1133 PolarHBondContact O-N 3.45Å; Q1130-K1133 PolarHBondContact O-N 3.16Å
1134R83.3Confident72.9Confident174 Ų17493.1 Ų93.166%0.65748%0.476SS*.Hα-helixtrans-78.1-21.9174.6-69.6-176.8-169.1102.77.6114.4Q1130 K1131 Q1132Q1130-R1134 WeakPolarHBondContact O-CG 3.42Å; Q1130-R1134 PolarHBondContact O-N 3.2Å; K1131-R1134 PolarHBondContact O-N 3.15Å; Q1132-R1134 VanDerWaalsContact C-N 3.26Å; Q1132-R1134 PolarHBondContact O-N 2.67Å
1135L78.4Confident70.1Confident85 Ų8598.3 Ų98.345%0.44551%0.506SS..Hα-helixtrans-90.6-26.6-179.6-73.1172.9000113.3P656 K1131 Q1132 P1137P656-L1135 WeakPolarHBondContact CG-O 3.22Å; K1131-L1135 HydrophobicContact CG-CD1 4.01Å; K1131-L1135 WeakPolarHBondContact O-CG 3.09Å; K1131-L1135 PolarHBondContact O-N 3.41Å; K1131-L1135 VanDerWaalsContact O-N 3.09Å; Q1132-L1135 PolarHBondContact O-N 2.82Å; Q1132-L1135 VanDerWaalsContact O-N 3.09Å; L1135-P1137 WeakPolarHBondContact O-CD 3.35Å
1136N75.3Confident67.3Low85 Ų85102.7 Ų102.746%0.45554%0.537SS..  trans-114.461.1175.6-7217.3000112.4Q1132 L1138 L1139Q1132-N1136 PolarHBondContact O-N 2.75Å; Q1132-N1136 VanDerWaalsContact O-N 3.11Å; N1136-L1138 VanDerWaalsContact C-N 3.26Å; N1136-L1138 PolarHBondContact O-N 2.74Å; N1136-L1139 HydrophobicContact CB-CB 4.31Å
1137P62.9Low64.5Low78 Ų78106.1 Ų106.151%0.50655%0.553SS.*THydrogen-bonded Turntrans-69.7-22.4177.229.7-34.4000113.2L1135L1135-P1137 WeakPolarHBondContact O-CD 3.35Å
1138L60.2Low61.7Low103 Ų103111.5 Ų111.554%0.53958%0.576SS.*THydrogen-bonded Turntrans-93.51.6-174.9-60.6177.3000114.7N1136N1136-L1138 VanDerWaalsContact C-N 3.26Å; N1136-L1138 PolarHBondContact O-N 2.74Å
1139L55.4Low58.9Low138 Ų138112.4 Ų112.472%0.72359%0.585SS**SBendtrans-116.48.7-171.3-113170000114.1N1136N1136-L1139 HydrophobicContact CB-CB 4.31Å
1140L50Low56Low96 Ų96112.1 Ų112.150%0.50360%0.596SS.*  trans-147.649.4179.5-163.965.4000110.8F1144L1140-F1144 HydrophobicContact CD1-CB 4.25Å
1141G36.5Very low53.6Low61 Ų61113.9 Ų113.963%0.62961%0.613SS**SBendtrans-113.5117.7168.700000108.9
1142S35.7Very low50.8Low108 Ų108113.6 Ų113.676%0.75563%0.625SS**SBendtrans66.5138.1-163.279.80000114.8
1143T36.4Very low48.1Very low107 Ų107116.1 Ų116.166%0.65663%0.631SS**SBendtrans65.9154.9-175.4720000116.5
1144F39.8Very low45.8Very low178 Ų178114 Ų11478%0.78163%0.634SS**  trans64.354.7174.9-53.9-74.5000119.6L1140L1140-F1144 HydrophobicContact CD1-CB 4.25Å
1145D37.7Very low43.5Very low139 Ų139110.3 Ų110.374%0.74363%0.627SS**SBendtrans-145.156.7147-139.2-16.3000110.9
1146S37.2Very low41.6Very low92 Ų92110.9 Ų110.964%0.64363%0.63SS**SBendtrans-162.2148.4172.2-73.20000110.8
1147N34.7Very low39.8Very low105 Ų105111 Ų11156%0.56163%0.631SS**  trans69.663.7163.5-53.3-11.7000119.3
1148E35.3Very low38.7Very low204 Ų204112.7 Ų112.795%0.95364%0.636SS**  trans-135.753.4150.6-78.5-161.7158.800111.5
1149D37.1Very low37.8Very low81 Ų81114.9 Ų114.943%0.43365%0.648SS.*SBendtrans-156124.1162-157.5-9.2000110.4K215K215-D1149 WeakPolarHBondContact CD-OD2 3.44Å; K215-D1149 WeakPolarHBondContact CE-OD2 3.29Å; K215-D1149 IonicContact NZ-OD1 2.62Å; K215-D1149 PolarHBondContact NZ-OD1 2.75Å; K215-D1149 IonicContact NZ-OD2 3.1Å; K215-D1149 PolarHBondContact NZ-OD2 2.96Å
1150S33.2Very low37.5Very low76 Ų76113.4 Ų113.453%0.53165%0.65SS.*  trans86.680.6174.9-450000120.2
1151T36Very low37Very low129 Ų129118.6 Ų118.679%0.79166%0.664SS**  trans-144.9113.1140.843.40000106.2
1152C30.2Very low37.5Very low118 Ų118123.6 Ų123.680%0.79768%0.676SS**  59.3135.667.384.60000115
1153R30.3Very low37.7Very low141 Ų141126.6 Ų126.653%0.53268%0.678SS.*  cis-170.7126.9-28.6-156.6-177.3-166.7169.41.4107.3I190I190-R1153 VanDerWaalsContact CD1-NH1 3.34Å
1154S35.4Very low38.1Very low97 Ų97128.2 Ų128.268%0.67868%0.683SS**  trans-178.4142.5175.6-99.30000107.9
1155D36.3Very low38.5Very low95 Ų95126.6 Ų126.651%0.50868%0.683SS.*  cis-149.9137.74-79.1-40000112.6N186N186-D1155 CarbonylContact C-O 3.55Å; N186-D1155 VanDerWaalsContact CB-O 3.23Å; N186-D1155 WeakPolarHBondContact CB-O 3.37Å; N186-D1155 CarbonylContact O-C 3.46Å
1156N37.7Very low38.9Very low97 Ų97127.1 Ų127.152%0.51969%0.685SS.*  trans79.3112.3149.2-58.2-16.8000122.6N185 N186 T187N185-N1156 CarbonylContact C-O 2.99Å; N186-N1156 VanDerWaalsContact C-C 3.42Å; N186-N1156 CarbonylContact C-O 3.53Å; N186-N1156 WeakPolarHBondContact CA-O 3.09Å; N186-N1156 PolarHBondContact N-O 3.19Å; N186-N1156 PolarHBondContact O-N 3.4Å; T187-N1156 PolarHBondContact N-O 2.76Å; T187-N1156 VanDerWaalsContact N-O 3.11Å; T187-N1156 CarbonylContact O-C 3.58Å; T187-N1156 WeakPolarHBondContact O-CA 3.13Å; T187-N1156 PolarHBondContact O-N 2.76Å
1157N38.5Very low39.3Very low88 Ų88130 Ų13047%0.47169%0.694SS.*  trans81.6142.3139.1-63.649.8000120.3T187T187-N1157 PolarHBondContact N-O 2.83Å; T187-N1157 PolarHBondContact O-N 3.2Å
1158D39.6Very low40Very low113 Ų113132 Ų13260%0.60470%0.704SS**  cis-126-114.7-18.2-83.9-43.9000113.3
1159D41.6Very low40.5Very low149 Ų149129.3 Ų129.380%0.79770%0.696SS**  cis-157.4178.416.2-66.5-95.3000111.1
1160S48.7Very low41Very low108 Ų108134.5 Ų134.576%0.75572%0.718SS**  trans-103.7134.5-175.855.60000115.1
1161Y38.8Very low41.6Very low204 Ų204136 Ų13680%0.872%0.72SS**  81.5128.963.5-79-67.2000116.5
1162D46.3Very low42.1Very low166 Ų166135 Ų13589%0.88871%0.71SS**  trans-171.1163.4142.3-88.3-24.5000108.1
1163E40.7Very low42.8Very low171 Ų171136 Ų13680%0.79970%0.703SS**  trans-118.9-149.8-158.1-57-174.7121.800114.9
1164D44.3Very low43.3Very low142 Ų142133.3 Ų133.376%0.75970%0.696SS**  trans76.8140.3169.7-41-15.2000117.8
1165D48.7Very low43.7Very low144 Ų144136.7 Ų136.777%0.7771%0.707SS**  cis-161.1178.3-11.1-105.9-10.1000111.2
1166D45.6Very low43.9Very low149 Ų149139.7 Ų139.780%0.79772%0.718SS**  trans-83.4-150.2-159.6-60.5-56.4000119.7
1167D46.6Very low43.9Very low154 Ų154144.7 Ų144.782%0.82474%0.738SS**  trans89.3147.8171.8-54.3-17.4000120.1
1168D47.9Very low43.9Very low146 Ų146143.8 Ų143.878%0.78175%0.749SS**  -164-163-66.3-115.4-21.7000111.2
1169D46.5Very low43.8Very low148 Ų148145.9 Ų145.979%0.79176%0.761SS**  trans75125.8173.5-50.7-26.6000117.6
1170E47.4Very low43.5Very low190 Ų190146.8 Ų146.889%0.88876%0.76SS**  cis86.8139.335-66.5-160.8157.800116.9
1171D45.6Very low43Very low107 Ų107148 Ų14857%0.57275%0.754SS**  cis-159.1-124.6-35.8-163.2-104.6000111.9H434H434-D1171 IonicContact CE1-OD1 3.71Å; H434-D1171 PolarHBondContact CE1-OD1 2.79Å; H434-D1171 IonicContact CE1-OD2 2.68Å; H434-D1171 PolarHBondContact CE1-OD2 3.43Å; H434-D1171 IonicContact ND1-OD1 2.94Å; H434-D1171 PolarHBondContact ND1-OD1 3.38Å
1172D46.6Very low43.1Very low107 Ų107145.5 Ų145.557%0.57274%0.743SS**  trans72.5153168.6-61-26.1000120S433S433-D1172 VanDerWaalsContact CB-O 3.26Å; S433-D1172 WeakPolarHBondContact CB-O 3.45Å; S433-D1172 PolarHBondContact OG-O 3.48Å
1173E44.9Very low42.8Very low139 Ų139145.3 Ų145.365%0.6574%0.736SS**  -148.4171.3-51.7-143.2-179.4-147.900109.5S433 H434S433-E1173 CarbonylContact C-O 3.22Å; S433-E1173 VanDerWaalsContact C-O 3.22Å; H434-E1173 WeakPolarHBondContact CA-O 3.24Å; H434-E1173 VanDerWaalsContact CB-CA 3.42Å; H434-E1173 VanDerWaalsContact CB-N 3.31Å; H434-E1173 WeakPolarHBondContact CB-O 3.33Å; H434-E1173 PolarHBondContact N-O 2.84Å
1174E42Very low42.7Very low85 Ų85142.1 Ų142.140%0.39773%0.725SS.*  trans-73.3174.8-155.2-65.1160.3-140.800120.1N436N436-E1174 HydrophobicContact CB-CG 4.27Å; N436-E1174 WeakPolarHBondContact CB-OE1 3.3Å; N436-E1174 PolarHBondContact ND2-OE1 3.03Å
1175D42.4Very low42.4Very low168 Ų168142 Ų14290%0.89872%0.72SS**  trans-160.6106.8149.2-106.8-21.7000111.2
1176E40.8Very low41.7Very low159 Ų159141 Ų14174%0.74371%0.714SS**  trans-119.8147.7169.2-74.8-160.9140.800111.2
1177E38.6Very low41Very low202 Ų202140.3 Ų140.394%0.94471%0.706SS**  trans-166.6121.9153.2-108.7173.9-164.700106.7
1178G37.9Very low40.4Very low68 Ų68137.7 Ų137.770%0.70171%0.705SS**  104.1130.883.200000109.6
1179D38.1Very low39.9Very low158 Ų158138.7 Ų138.785%0.84570%0.703SS**  cis-130.5145.82-54.2-53.8000108.4
1180E35.5Very low39Very low168 Ų168138.8 Ų138.879%0.78570%0.703SS**  71.2147.951.7-87.8-93.911200115.8
1181E38.3Very low38.2Very low134 Ų134135.9 Ų135.963%0.62669%0.694SS**  trans71.3138.3172.1-52.7-145.8161.100119.3
1182R40.4Very low37.5Very low151 Ų151139.1 Ų139.157%0.5770%0.703SS**  cis-165152.8-9-115.7-178.5-152.6-67.1-10.9110
1183H39Very low36.9Very low162 Ų162139 Ų13975%0.7571%0.711SS**  trans50.5145.6137.1-65.5-16.2000121.4
1184D39.5Very low36.2Very low104 Ų104138.7 Ų138.756%0.55671%0.713SS**  cis-162.8159.59.9-122.5-12.7000115.1
1185Q38.2Very low35.8Very low140 Ų140142 Ų14265%0.65473%0.733SS**  trans25.9152.1132.7-63.8172.758.100122.5
1186L33.6Very low35Very low123 Ų123139 Ų13964%0.64472%0.724SS**  cis-171.2167.5-10-106.3167.6000110.5
1187Q30.5Very low34.6Very low134 Ų134139.4 Ų139.463%0.62673%0.731SS**  trans48.7111.5145.7-68175.65600122.2
1188A35.4Very low34.2Very low99 Ų99133.2 Ų133.282%0.81872%0.721SS**  -162.483.9123.600000109.8
1189K36Very low33.9Very low167 Ų167137.4 Ų137.473%0.72673%0.728SS**  35.9101.689.2-82.2-176.3177.7170.60115.4
1190N28.4Very low33.6Very low149 Ų149133.9 Ų133.980%0.79772%0.715SS**  trans30.1122.6141.4-55.4-4.1000119.1
1191N30.6Very low33.5Very low130 Ų130132 Ų13270%0.69571%0.711SS**  trans-170127.5131.4-108.8-70.6000114.2
1192K31.5Very low33.3Very low174 Ų174131.2 Ų131.276%0.75771%0.711SS**  trans64.6157.4150.5-64.6154.8-176.5158.90116.9
1193S34.4Very low33Very low106 Ų106130.6 Ų130.674%0.74172%0.719SS**  cis-137.2135.44.134.70000109.4
1194N29.6Very low32.6Very low132 Ų132130.3 Ų130.371%0.70672%0.723SS**  78140.964.9-8412.1000115.2
1195L33.3Very low32.2Very low154 Ų154132.6 Ų132.681%0.80673%0.73SS**  trans82.8109.5-176.2-75.263.1000113.7
1196C26.4Very low32Very low105 Ų105134 Ų13471%0.70974%0.735SS**  cis84.8149.616.4-40.80000117.2
1197N31Very low31.7Very low167 Ų167138.1 Ų138.189%0.89374%0.743SS**  trans72.5144.8-174.9-48.3-15.6000113.2
1198G31.2Very low31.6Very low72 Ų72138.9 Ų138.974%0.74275%0.75SS**  cis173.7153.8-1.900000106.4
1199N31.1Very low31.4Very low156 Ų156141.8 Ų141.883%0.83475%0.752SS**  cis-166176.942.1-135.814.1000110.7
1200S32.8Very low31Very low84 Ų84135.8 Ų135.859%0.58773%0.733SS**  trans15.7144.2140.9-68.40000121.6
1201N32.6Very low30.9Very low130 Ų130134 Ų13470%0.69572%0.723SS**  cis-175.8163.510.4-112.920000109.6
1202N34.5Very low30.8Very low117 Ų117131.4 Ų131.463%0.62671%0.708SS**  trans64.5154.6149.3-7046.9000118.1
1203D34.5Very low31Very low138 Ų138128.6 Ų128.674%0.73870%0.696SS**  cis-150.2168.9-11.7-96.3-25.1000109.6
1204D29.4Very low30.7Very low155 Ų155129 Ų12983%0.82969%0.686SS**  trans-80.7-177.6-179.3-65.2-78.6000115.7
1205E30.7Very low30.8Very low153 Ų153129.7 Ų129.772%0.71568%0.683SS**  trans96.3150.3159.3-58.5-156136.800121.2
1206K34.1Very low30.6Very low170 Ų170127 Ų12774%0.73967%0.665SS**  trans67.9118.4163.8-66.2166.1-17293.70116.4
1207Y28.6Very low30.7Very low209 Ų209125.8 Ų125.882%0.8265%0.654SS**  cis66.4119.413.7-136.7-91.8000115.1
1208L28Very low30.5Very low150 Ų150123.3 Ų123.379%0.78565%0.65SS**  trans71.6111.4177.8-66.6159.2000118.2
1209D30.3Very low30.4Very low160 Ų160124 Ų12486%0.85665%0.649SS**  trans129.4161.4147.9-79.9-2.7000115
1210A28Very low30.5Very low40 Ų40123 Ų12333%0.33164%0.643SS.*  cis-169.851.8-36.800000113.7S1253A1210-S1253 WeakPolarHBondContact O-CB 3.28Å; A1210-S1253 PolarHBondContact O-OG 2.82Å
1211I27Very low30.5Very low111 Ų111126.2 Ų126.257%0.56965%0.649SS**  trans79.6165.2153.7-41.9135.7000116.8C1252 N1254I1211-C1252 VanDerWaalsContact O-O 3.12Å; I1211-N1254 HydrophobicContact CD1-CB 4.4Å; I1211-N1254 VanDerWaalsContact CD1-ND2 3.31Å; I1211-N1254 WeakPolarHBondContact CD1-ND2 3.5Å
1212I28.7Very low30.4Very low76 Ų76127.4 Ų127.439%0.3965%0.65SS.*  trans75.1137.3167.9-56.2-160.9000119.9L1251 S1253I1212-L1251 WeakPolarHBondContact CG2-O 3.29Å; I1212-L1251 CarbonylContact O-C 3.59Å; I1212-L1251 VanDerWaalsContact O-CA 3.29Å; I1212-L1251 WeakPolarHBondContact O-CA 3.2Å; I1212-L1251 PolarHBondContact O-N 2.71Å; I1212-S1253 WeakPolarHBondContact CD1-O 3.14Å
1213K34.1Very low30.4Very low116 Ų116129.1 Ų129.150%0.50466%0.656SS.*  trans58.8118162.2-82.3-170.7-85.6119.80119D1250 L1251K1213-D1250 WeakPolarHBondContact CB-O 3.29Å; K1213-D1250 PolarHBondContact NZ-O 3.4Å; K1213-L1251 WeakPolarHBondContact CE-O 3.24Å; K1213-L1251 PolarHBondContact NZ-O 3.2Å; K1213-L1251 PolarHBondContact O-N 3.27Å
1214E29.4Very low30.3Very low115 Ų115127.9 Ų127.954%0.53765%0.65SS.*  86.2122.871.5-93.2-163.510500114.9S1249 D1250E1214-S1249 CarbonylContact O-C 3.59Å; E1214-S1249 WeakPolarHBondContact O-CA 3.44Å; E1214-S1249 WeakPolarHBondContact O-CB 3.37Å; E1214-D1250 PolarHBondContact O-N 2.79Å
1215K30.6Very low30.3Very low146 Ų146126.6 Ų126.664%0.63564%0.642SS**  78.871.6114.3-161.2-158.8-135.1148.10123.7N1248 S1249K1215-N1248 CarbonylContact O-C 3.3Å; K1215-N1248 VanDerWaalsContact O-C 3.23Å; K1215-S1249 VanDerWaalsContact O-CA 3.25Å; K1215-S1249 WeakPolarHBondContact O-CA 3.19Å; K1215-S1249 WeakPolarHBondContact O-CB 3.2Å; K1215-S1249 PolarHBondContact O-N 3.42Å; K1215-S1249 VanDerWaalsContact O-N 3.1Å
1216K30.2Very low30.5Very low98 Ų98126.9 Ų126.943%0.42665%0.649SS.*  trans-159.4143.8153.3-126.7-158.8165.2-179.20122.6N1247 N1248K1216-N1247 VanDerWaalsContact CE-CB 3.43Å; K1216-N1247 WeakPolarHBondContact CE-OD1 3.27Å; K1216-N1247 PolarHBondContact NZ-ND2 3.32Å; K1216-N1248 HydrophobicContact CD-CB 4.43Å; K1216-N1248 VanDerWaalsContact CD-OD1 3.24Å; K1216-N1248 WeakPolarHBondContact CD-OD1 3.35Å; K1216-N1248 WeakPolarHBondContact CE-OD1 3.38Å; K1216-N1248 PolarHBondContact NZ-OD1 2.81Å
1217T28Very low30.3Very low79 Ų79124.4 Ų124.449%0.48564%0.643SS.*  trans-3.1127.9154.759.40000124.6
1218S26.5Very low30.3Very low114 Ų114121.3 Ų121.380%0.79764%0.64SS**  78.3141.1107.3-50.40000125.2
1219A29.6Very low30.3Very low88 Ų88123.7 Ų123.773%0.72764%0.64SS**  trans95.8153.5137.600000120.4
1220D32.6Very low30.3Very low134 Ų134124.8 Ų124.872%0.71763%0.632SS**  trans86.8119.4-174.9-55.1-11.5000115.8
1221H33.6Very low30.4Very low152 Ų152132.2 Ų132.270%0.70466%0.657SS**  cis-140.9151.1-18.4-82.9-65.7000106.7
1222E30.6Very low30.4Very low155 Ų155131 Ų13172%0.72466%0.659SS**  cis100.7146.824.8-162.2-178.2-156.500114.5
1223M34Very low30.4Very low153 Ų153135.5 Ų135.575%0.75468%0.678SS**  trans75137.8177.9-53.1-178.268.700117.2
1224N32.5Very low30.2Very low112 Ų112138.8 Ų138.860%0.59969%0.692SS**  cis-157.8130.5-23.2-105.5-22.7000107.1
1225N30.4Very low30Very low127 Ų127139.9 Ų139.968%0.67970%0.7SS**  60.6112.182.2-76.2-47.3000115.5I1227N1225-I1227 HydrophobicContact CB-CD1 4.14Å; N1225-I1227 HydrophobicContact CB-CG1 4.47Å
1226D33.5Very low29.9Very low160 Ų160139.8 Ų139.886%0.85671%0.706SS**  trans-158.2146.9144.8-119.6-13000110.9
1227I30.9Very low29.9Very low118 Ų118141.9 Ų141.961%0.60572%0.717SS**  -160.1140-71.5-104165.3000111.2N1225N1225-I1227 HydrophobicContact CB-CD1 4.14Å; N1225-I1227 HydrophobicContact CB-CG1 4.47Å
1228N28Very low30Very low143 Ų143143.8 Ų143.877%0.76572%0.724SS**  trans42.5120.1156.5-66.9-31.8000123.3
1229Y28.7Very low30.2Very low200 Ų200146 Ų14678%0.78472%0.722SS**  trans-147117.6143-134.9-119.3000106.5
1230R30.5Very low30.3Very low183 Ų183149.1 Ų149.169%0.69172%0.721SS**  cis-137.61513.5-72.8178.6171.3170.3-3.4107.9
1231K29.7Very low30.1Very low197 Ų197147.1 Ų147.186%0.85772%0.718SS**  50.9137.471.4-81.6-169.1174.7-1790114.1
1232S26.9Very low29.7Very low85 Ų85145.7 Ų145.759%0.59472%0.715SS**  cis-178150.8-443.60000111.3
1233E27.4Very low29.7Very low171 Ų171146 Ų14680%0.79971%0.714SS**  trans62.6140.6165.7-57.9170.4139.300115.6
1234K31.5Very low29.5Very low185 Ų185145.2 Ų145.280%0.80471%0.713SS**  cis-141.4160.826.8-56.5164.3-176.6169.60108
1235I25.5Very low29.2Very low138 Ų138145.5 Ų145.571%0.70872%0.715SS**  cis69.2120.740.5-58.8178.5000112.7
1236L28.1Very low29.1Very low144 Ų144145.9 Ų145.975%0.75471%0.712SS**  trans68.8136.3-167.8-42.7-173.9000113.4
1237E28.8Very low28.8Very low142 Ų142141.8 Ų141.866%0.66469%0.69SS**  cis-160.6160.1-3.2-124.9165.1-138.700110.6
1238N30.6Very low28.7Very low118 Ų118141.1 Ų141.163%0.63169%0.688SS**  trans56.4101.4159.6-53.7-26.1000117.6
1239E31.8Very low28.7Very low160 Ų160136.4 Ų136.475%0.74867%0.666SS**  90.4138.590.6-84.5-175.1-170.400112.4
1240H31.4Very low28.7Very low154 Ų154131 Ų13171%0.71365%0.651SS**  cis-156.8142.56-133.9-39.8000110.6
1241S27.5Very low28.6Very low93 Ų93127.8 Ų127.865%0.6565%0.647SS**  trans68.4145.6142.481.80000118.6
1242L26.4Very low28.3Very low122 Ų122123.2 Ų123.264%0.63964%0.638SS**  cis-163.2150.5-7.8-142.656.1000109.4
1243F29.9Very low28.3Very low160 Ų160121.3 Ų121.370%0.70263%0.625SS**  trans59.8113.2164.9-58.4-48.3000116.8
1244D30.1Very low28.1Very low137 Ų137116.7 Ų116.773%0.73361%0.606SS**  74.314662.2-69.313.6000112.4
1245N26Very low27.9Very low118 Ų118115.5 Ų115.563%0.63160%0.603SS**  cis-170.3173.3-26.7-163.36.3000105.2
1246E27.5Very low27.9Very low136 Ų136113.2 Ų113.264%0.63660%0.6SS**  trans47.6129.6141.9-85.9-174-118.400123.4
1247N27.6Very low27.8Very low73 Ų73113.8 Ų113.839%0.3960%0.597SS.*  59.2117.3125.2-62.5-24.8000121.3K1216K1216-N1247 VanDerWaalsContact CE-CB 3.43Å; K1216-N1247 WeakPolarHBondContact CE-OD1 3.27Å; K1216-N1247 PolarHBondContact NZ-ND2 3.32Å
1248N29.6Very low27.6Very low104 Ų104116.8 Ų116.856%0.55660%0.602SS**  175.1167.495.4-89-63.3000111.4K1215 K1216K1215-N1248 CarbonylContact O-C 3.3Å; K1215-N1248 VanDerWaalsContact O-C 3.23Å; K1216-N1248 HydrophobicContact CD-CB 4.43Å; K1216-N1248 VanDerWaalsContact CD-OD1 3.24Å; K1216-N1248 WeakPolarHBondContact CD-OD1 3.35Å; K1216-N1248 WeakPolarHBondContact CE-OD1 3.38Å; K1216-N1248 PolarHBondContact NZ-OD1 2.81Å
1249S26.7Very low27.4Very low44 Ų44116.6 Ų116.631%0.30860%0.597SS.*  trans-83.1177.2168.344.90000112.6E1214 K1215E1214-S1249 CarbonylContact O-C 3.59Å; E1214-S1249 WeakPolarHBondContact O-CA 3.44Å; E1214-S1249 WeakPolarHBondContact O-CB 3.37Å; K1215-S1249 VanDerWaalsContact O-CA 3.25Å; K1215-S1249 WeakPolarHBondContact O-CA 3.19Å; K1215-S1249 WeakPolarHBondContact O-CB 3.2Å; K1215-S1249 PolarHBondContact O-N 3.42Å; K1215-S1249 VanDerWaalsContact O-N 3.1Å
1250D28.4Very low27.2Very low87 Ų87114.2 Ų114.247%0.46559%0.586SS.*  trans126.7127.5134.6-71.8-1.7000115.5K1213 E1214K1213-D1250 WeakPolarHBondContact CB-O 3.29Å; K1213-D1250 PolarHBondContact NZ-O 3.4Å; E1214-D1250 PolarHBondContact O-N 2.79Å
1251L28.8Very low27.2Very low116 Ų116110.2 Ų110.261%0.60758%0.575SS**  trans60.9164.7134.8-63.5169.2000120.7I1212 K1213I1212-L1251 WeakPolarHBondContact CG2-O 3.29Å; I1212-L1251 CarbonylContact O-C 3.59Å; I1212-L1251 VanDerWaalsContact O-CA 3.29Å; I1212-L1251 WeakPolarHBondContact O-CA 3.2Å; I1212-L1251 PolarHBondContact O-N 2.71Å; K1213-L1251 WeakPolarHBondContact CE-O 3.24Å; K1213-L1251 PolarHBondContact NZ-O 3.2Å; K1213-L1251 PolarHBondContact O-N 3.27Å
1252C24.2Very low27.2Very low100 Ų100109.3 Ų109.368%0.67656%0.562SS**  trans155.9-147.3164.1166.90000109I1211I1211-C1252 VanDerWaalsContact O-O 3.12Å
1253S26.2Very low27.3Very low45 Ų45107.6 Ų107.632%0.31555%0.549SS..  trans-163.3149162.3-156.30000112.6A1210 I1212A1210-S1253 WeakPolarHBondContact O-CB 3.28Å; A1210-S1253 PolarHBondContact O-OG 2.82Å; I1212-S1253 WeakPolarHBondContact CD1-O 3.14Å
1254N24.6Very low27.3Very low75 Ų75108.8 Ų108.840%0.40155%0.549SS..  trans69.5167.7144.6-100.5-71.7000122I1211I1211-N1254 HydrophobicContact CD1-CB 4.4Å; I1211-N1254 VanDerWaalsContact CD1-ND2 3.31Å; I1211-N1254 WeakPolarHBondContact CD1-ND2 3.5Å
1255Q25.9Very low27.3Very low159 Ų159105.5 Ų105.574%0.74353%0.534SS*.  trans52.1118.5142.4-72.6156.740.200120
1256S25.4Very low27.4Very low91 Ų91104.3 Ų104.364%0.63652%0.523SS*.  96159.271.1-166.20000112
1257F25.5Very low27.5Very low156 Ų156104.7 Ų104.768%0.68452%0.519SS*.  trans64.5122.8-172.7-59.8-89.2000113.7
1258R24.7Very low27.6Very low204 Ų204109.1 Ų109.177%0.7753%0.53SS*.  70.9155.351.2-66.7178.7160.5-153.23.7113.5
1259H27.9Very low27.7Very low114 Ų114107.5 Ų107.553%0.52853%0.527SS..  trans77.3103.8169.6-56.8-73.6000113.9
1260H28.1Very low27.9Very low111 Ų111109 Ų10951%0.51453%0.531SS..  93.415396.8-67.5-15.9000110.6
1261S30.1Very low28.1Very low69 Ų69112.4 Ų112.448%0.48354%0.544SS..  cis-154.2153.524-104.30000111.6N632N632-S1261 WeakPolarHBondContact CB-O 3.26Å; N632-S1261 PolarHBondContact ND2-O 3.35Å
1262I27.3Very low28.1Very low75 Ų75111.5 Ų111.539%0.38555%0.548SS..  cis-170.1149.5-10.4-113.4-179.7000106.9T630 N632T630-I1262 HydrophobicContact CG2-CB 4.11Å; T630-I1262 HydrophobicContact CG2-CG1 3.7Å; T630-I1262 HydrophobicContact CG2-CG2 4.2Å; N632-I1262 PolarHBondContact ND2-N 3.45Å
1263K29.2Very low28.3Very low85 Ų85113.5 Ų113.537%0.3755%0.551SS.*  trans65.6151.9168.7-74.4158.1-179.262.70117.5E629 T630E629-K1263 HydrophobicContact CG-CG 4.16Å; E629-K1263 WeakPolarHBondContact OE1-CE 3.43Å; E629-K1263 VanDerWaalsContact OE1-CG 3.23Å; E629-K1263 WeakPolarHBondContact OE1-CG 3.46Å; E629-K1263 IonicContact OE1-NZ 3.16Å; E629-K1263 WeakPolarHBondContact OE2-CE 3.39Å; E629-K1263 VanDerWaalsContact OE2-CG 3.3Å; E629-K1263 WeakPolarHBondContact OE2-CG 3.37Å; E629-K1263 IonicContact OE2-NZ 3.46Å; E629-K1263 PolarHBondContact OE2-NZ 3.03Å; T630-K1263 HydrophobicContact CG2-CB 4.43Å; T630-K1263 HydrophobicContact CG2-CG 3.79Å
1264R29.7Very low28.4Very low186 Ų186116.8 Ų116.870%0.70257%0.57SS**  cis-154.1113.5-1.3-108.5151.8-173.8170-3.9108.8E629E629-R1264 IonicContact OE1-NE 3.75Å; E629-R1264 PolarHBondContact OE1-NE 2.77Å; E629-R1264 IonicContact OE1-NH2 2.7Å
1265T29.3Very low28.6Very low67 Ų67118.7 Ų118.741%0.41159%0.586SS.*  67.5130.684.662.60000118.7E629E629-T1265 HydrophobicContact CB-CG2 4.38Å; E629-T1265 HydrophobicContact CG-CG2 3.66Å
1266K29.6Very low28.6Very low93 Ų93118.2 Ų118.240%0.40459%0.587SS.*  trans77.9143.5159.7-71.8179.5169.2179.90117.4N625 N627N625-K1266 PolarHBondContact ND2-NZ 3.32Å; N625-K1266 WeakPolarHBondContact OD1-CE 3.27Å; N625-K1266 PolarHBondContact OD1-NZ 2.84Å; N625-K1266 VanDerWaalsContact OD1-NZ 3.1Å; N627-K1266 VanDerWaalsContact N-NZ 3.13Å; N627-K1266 WeakPolarHBondContact OD1-CE 3.39Å; N627-K1266 PolarHBondContact OD1-NZ 3.34Å
1267R29.1Very low28.5Very low145 Ų145120.6 Ų120.655%0.54759%0.588SS.*  cis-158135.313.9-151.2175.4169.8-172.5-10.5112.8N625N625-R1267 VanDerWaalsContact CG-CZ 3.47Å; N625-R1267 PolarHBondContact ND2-NE 2.8Å; N625-R1267 PolarHBondContact OD1-NE 3.13Å
1268R29.9Very low28.5Very low165 Ų165121.5 Ų121.562%0.62359%0.592SS**  trans42.6144.6149.5-71-174-179155.63.8120.7I624I624-R1268 PolarHBondContact O-NH1 3.05Å; I624-R1268 PolarHBondContact O-NH2 2.83Å; I624-R1268 VanDerWaalsContact O-NH2 3.1Å
1269S32Very low28.4Very low71 Ų71117.9 Ų117.950%0.49759%0.588SS.*  cis-131.7-48.222.5-510000117.6Q47Q47-S1269 PolarHBondContact NE2-OG 3.39Å
1270N30.1Very low28.2Very low75 Ų75117.4 Ų117.440%0.40160%0.596SS.*  trans-130.2150.9-140.5-9228.1000113.1Q47 N48Q47-N1270 HydrophobicContact CG-CB 3.61Å; N48-N1270 PolarHBondContact ND2-ND2 3.01Å; N48-N1270 PolarHBondContact OD1-ND2 2.62Å
1271Q31.9Very low27.9Very low158 Ų158119.1 Ų119.174%0.73861%0.609SS**  cis-136.7-173.9-15.5-72.8-146.788.600109.3
1272S30.4Very low27.7Very low97 Ų97125.6 Ų125.668%0.67862%0.624SS**  trans-147.416816657.60000109.2
1273L27.3Very low27.5Very low142 Ų142128.7 Ų128.774%0.74364%0.639SS**  -169.714477.8-83.6167.3000113.2
1274T27.9Very low27.4Very low115 Ų115130.5 Ų130.571%0.70665%0.652SS**  trans47.4134.313961.70000123.8
1275P30Very low27.2Very low114 Ų114127.8 Ų127.874%0.7465%0.652SS**  trans-89.5171.8133.737.7-32.2000112.4
1276I25.4Very low27.2Very low150 Ų150132.4 Ų132.477%0.76967%0.669SS**  trans91.6129.9165.6-53.9172.3000118.2
1277H23.3Very low27Very low141 Ų141134.6 Ų134.665%0.65368%0.684SS**  trans80130.8159-100.6-64.7000123.3
1278F25Very low26.8Very low174 Ų174135.9 Ų135.976%0.76370%0.701SS**  trans61.3164.4157.8-60.3-58.8000116.4
1279N23.1Very low26.5Very low128 Ų128134 Ų13468%0.68470%0.703SS**  cis-140164.8-4.9-151.23.1000111.3
1280C22.8Very low26.3Very low105 Ų105138.1 Ų138.171%0.70972%0.72SS**  trans-77.8120.1147.1-176.70000107.4
1281N23.4Very low26Very low146 Ų146139.2 Ų139.278%0.78173%0.733SS**  trans-178.6160.6140.7-98.6-17.1000114.9
1282Y24.1Very low25.8Very low206 Ų206137.3 Ų137.381%0.80873%0.733SS**  trans-64.7160.2163.5-111.9-131.6000113.2
1283M24.9Very low25.7Very low139 Ų139140.2 Ų140.269%0.68574%0.735SS**  trans72.4135.6151.6-63.5-84.395.800121.2
1284N26.4Very low25.8Very low123 Ų123139.2 Ų139.266%0.65873%0.73SS**  trans20.6131.6135.2-49.7-13.2000120.3
1285D26.3Very low26Very low130 Ų130138.9 Ų138.970%0.69572%0.724SS**  -162.1131.8105.1-97-18000109.9
1286Q27.7Very low26Very low163 Ų163143.9 Ų143.976%0.76273%0.729SS**  59.9123.182.7-64.8-168.185.600114.8
1287L25.1Very low26.3Very low140 Ų140139.7 Ų139.773%0.73372%0.723SS**  173.269.7127.1-91.3170.4000113.8N1289L1287-N1289 HydrophobicContact CD2-CB 3.76Å
1288L25.4Very low26.5Very low172 Ų172139.6 Ų139.690%0.90173%0.733SS**  trans-13694133.5-94.8172.1000103.6
1289N24.6Very low26.6Very low124 Ų124138 Ų13866%0.66374%0.737SS**  cis59.151.141.3-135.634.1000111.2L1287L1287-N1289 HydrophobicContact CD2-CB 3.76Å
1290D26.6Very low26.5Very low158 Ų158137.4 Ų137.485%0.84574%0.743SS**  trans-101.8148136.6-137.2-31.1000109.5
1291S25Very low26.7Very low98 Ų98138 Ų13869%0.68575%0.747SS**  trans-78150.6-163.3-57.10000112.8
1292V27.4Very low26.8Very low119 Ų119136.2 Ų136.272%0.72175%0.746SS**  160111123154.90000110.5
1293H29.2Very low26.9Very low157 Ų157130.8 Ų130.873%0.72774%0.739SS**  trans60.5147.2153.1-70-125.2000116.4
1294N29.5Very low27Very low121 Ų121130.9 Ų130.965%0.64774%0.741SS**  cis172.7167.96.4-1058000104.1
1295L30.2Very low27Very low109 Ų109131.6 Ų131.657%0.57174%0.744SS**  cis-175.8121.3-22.7-168.776.3000105.8
1296Y30.3Very low27Very low218 Ų218132.2 Ų132.286%0.85575%0.747SS**  trans62.2160-174.1-40.5-63.9000113.6
1297G32.7Very low26.8Very low62 Ų62128.7 Ų128.764%0.63974%0.74SS**  cis165.3154.2-3.900000109.6
1298T27.5Very low26.9Very low140 Ų140126.9 Ų126.986%0.85974%0.739SS**  trans42.8105.5162.156.60000119.9
1299T26.1Very low27.1Very low140 Ų140122.9 Ų122.986%0.85973%0.726SS**  trans-141.5108.1137.639.10000110.7
1300S22.4Very low27.4Very low115 Ų115126 Ų12680%0.80474%0.736SS**  trans-103.7122.8163.4-660000108.5
1301C25.6Very low27.8Very low117 Ų117123.9 Ų123.979%0.79173%0.734SS**SBendtrans55.7-173.6-176-600000113.1
1302S26.5Very low28.2Very low110 Ų110124.5 Ų124.577%0.76974%0.738SS**  trans68.3145.5172.8-44.60000114.4
1303S26.2Very low29Very low92 Ų92124.3 Ų124.364%0.64374%0.739SS**  cis-177.2174.6-13.648.90000107.3
1304L26.2Very low29.4Very low140 Ų140122 Ų12273%0.73374%0.738SS**  trans44113.4134-72.9171.7000117.3
1305L26.1Very low29.8Very low139 Ų139121.6 Ų121.673%0.72874%0.742SS**  -173.7173.151.4-89.2129.5000113.5
1306L25.8Very low30.1Very low142 Ų142121.8 Ų121.874%0.74375%0.75SS**  trans70.4108.3144.2-105.267.8000120.7
1307S25Very low30.5Very low90 Ų90117.5 Ų117.563%0.62975%0.749SS**  56.2129.2119.968.10000122.2
1308S26.5Very low30.7Very low101 Ų101120.2 Ų120.271%0.70676%0.755SS**  trans72.1136.5137.958.80000121.6
1309S29.2Very low31.1Very low89 Ų89119.3 Ų119.362%0.62275%0.754SS**  trans66.4117.4146.1540000121.7
1310Q30.7Very low31.5Very low190 Ų190118.7 Ų118.789%0.88875%0.751SS**  trans72.7148140.9-60.9170.336.100116.7
1311S35.2Very low31.9Very low113 Ų113118.7 Ų118.779%0.7975%0.746SS**  cis-150.8155.5-0.250.30000112.7
1312S34Very low32.2Very low111 Ų111119.4 Ų119.478%0.77675%0.747SS**  trans-67-175.2170.1-20.70000112.8
1313P43.5Very low32.5Very low115 Ų115117.6 Ų117.675%0.74775%0.745SS**  cis-143.6-155.520.848.5-28.7000113.8
1314P38.5Very low32.7Very low108 Ų108119.2 Ų119.270%0.70175%0.751SS**  cis-127.6147.6-22.432.5-15.2000115.3
1315P36.9Very low33Very low113 Ų113120 Ų12073%0.73475%0.754SS**PPolyproline II helixtrans-86.1162.7146.235.4-31.4000111.4
1316P37.9Very low33.3Very low113 Ų113118.7 Ų118.773%0.73475%0.754SS**PPolyproline II helixtrans-68.6155.8176.129.2-35.2000112.8P1318P1316-P1318 WeakPolarHBondContact O-CD 3.45Å
1317P38.7Very low33.6Very low128 Ų128116.8 Ų116.883%0.83175%0.753SS**PPolyproline II helixtrans-85.9127.6-162.131.8-35.5000115.1
1318P36Very low33.7Very low119 Ų119117.4 Ų117.477%0.77376%0.757SS**PPolyproline II helixtrans-88.7135.8155.333.6-29.1000110.5P1316 T1320P1316-P1318 WeakPolarHBondContact O-CD 3.45Å; P1318-T1320 PolarHBondContact O-N 3.35Å
1319S35.5Very low34.1Very low120 Ų120120 Ų12084%0.83976%0.763SS**PPolyproline II helixtrans-81.8116.4-177.154.10000112.8
1320T34.2Very low34Very low128 Ų128122.5 Ų122.579%0.78577%0.768SS**PPolyproline II helixtrans-71.2128170.847.10000111.2P1318P1318-T1320 PolarHBondContact O-N 3.35Å
1321T32.1Very low34.1Very low114 Ų114119.9 Ų119.970%0.69977%0.767SS**  9910859.2-60.80000112.2
1322T31.2Very low33.7Very low133 Ų133118 Ų11882%0.81676%0.755SS**  trans60.8133.3158.758.50000122.2
1323G32.3Very low33.4Very low71 Ų71119.4 Ų119.473%0.73275%0.752SS**  trans165.956.7167.800000109.8
1324V31.1Very low32.6Very low126 Ų126121.8 Ų121.876%0.76475%0.753SS**  65.1140.190.5-171.80000112.8
1325I32.5Very low31.9Very low157 Ų157120.9 Ų120.981%0.80575%0.75SS**  trans93.6123.2-179.7-52.1-176.9000114.5
1326P32Very low31.4Very low111 Ų111119.9 Ų119.972%0.72174%0.741SS**  trans-104.4-158.7-178.343.4-37.7000112.6
1327S31.6Very low30.8Very low103 Ų103123 Ų12372%0.7274%0.744SS**  trans95.2107.9178.8-42.80000111.8
1328S27.8Very low30.3Very low102 Ų102124.1 Ų124.171%0.71374%0.738SS**  86.7160.771.781.10000112.8
1329L34.1Very low29.8Very low157 Ų157124.3 Ų124.382%0.82274%0.736SS**  trans71.6114.5-167-46167.8000111
1330L28Very low29.3Very low140 Ų140123 Ų12373%0.73373%0.727SS**  45.5125.764.3-76.892.3000112.5
1331P33Very low28.9Very low135 Ų135123.4 Ų123.488%0.87772%0.724SS**  -123.4131.879.64.716.2000114.4
1332S26.6Very low28.6Very low75 Ų75122.9 Ų122.952%0.52473%0.726SS.*  trans-76.6177.1149.1520000111.1
1333L27.2Very low28.4Very low139 Ų139122.6 Ų122.673%0.72872%0.719SS**  trans89.6140162.2-56.4166.2000118.7
1334H27.5Very low28.1Very low165 Ų165126.8 Ų126.876%0.76472%0.72SS**  trans66.6135.2153.3-66.4133.8000118.5
1335S24.5Very low28Very low90 Ų90127.5 Ų127.563%0.62972%0.718SS**  cis-163.9-172.2-12.2-146.10000110.7
1336T25.4Very low27.7Very low91 Ų91128 Ų12856%0.55872%0.715SS**  trans-10.5129.5139.3-21.20000112.7
1337F26.3Very low27.7Very low179 Ų179128.3 Ų128.379%0.78572%0.717SS**  -143.4141.151.4-82.8-96.9000111.3
1338H26.4Very low27.4Very low152 Ų152126.7 Ų126.770%0.70471%0.705SS**  73.1147.965.8-146.6-71.7000112.5
1339V26.9Very low27.5Very low122 Ų122129 Ų12974%0.73971%0.71SS**  trans74.7128.7175.5-175.40000114.4
1340S24.8Very low27.1Very low92 Ų92130.8 Ų130.864%0.64371%0.707SS**  cis-165171.6-16.2-105.60000110.9
1341N25.1Very low27.1Very low137 Ų137129.6 Ų129.673%0.73371%0.708SS**  trans-17.6139.8146.1-47-22.9000115.2
1342S27Very low26.7Very low104 Ų104127.8 Ų127.873%0.72769%0.694SS**  156.1151.3109.156.20000110.4
1343N25.8Very low26.6Very low126 Ų126133.8 Ų133.867%0.67471%0.707SS**  cis-171.8-173.9-18.8-98-21.9000104.6
1344Q26.9Very low26.3Very low160 Ų160132 Ų13275%0.74870%0.704SS**  trans58.4121.4147.8-76.9169.7109.900118.2
1345L28.3Very low26.1Very low140 Ų140130.3 Ų130.373%0.73370%0.701SS**  cis-148.5140.913.4-78.2123.3000107.3
1346F26.9Very low26Very low169 Ų169132.6 Ų132.674%0.74171%0.706SS**  58.3144.772.7-82.8-96.8000114S1348F1346-S1348 WeakPolarHBondContact CD1-OG 3.31Å; F1346-S1348 WeakPolarHBondContact CE1-OG 3.29Å
1347P30.8Very low25.8Very low116 Ų116132.9 Ų132.975%0.75371%0.712SS**  cis-113.91512.841.1-29.7000112
1348S26Very low25.7Very low69 Ų69129.6 Ų129.648%0.48371%0.711SS.*  cis61.599.93986.10000115.2F1346F1346-S1348 WeakPolarHBondContact CD1-OG 3.31Å; F1346-S1348 WeakPolarHBondContact CE1-OG 3.29Å
1349N29.2Very low25.6Very low151 Ų151130.1 Ų130.181%0.80772%0.72SS**  trans-162.2117.5141.1-101-19.9000112.2
1350Y26.2Very low25.5Very low195 Ų195128.9 Ų128.977%0.76572%0.716SS**  1.8151.2121.6-71.4-84.7000118.2
1351P28Very low25.5Very low115 Ų115130.8 Ų130.875%0.74772%0.718SS**  cis-131.616328.742-27.2000118.3
1352T25.8Very low25.5Very low96 Ų96130.9 Ų130.959%0.58972%0.718SS**  trans-49.8-170.6144.634.40000113.7
1353Y23.1Very low25.5Very low201 Ų201129.2 Ų129.279%0.78872%0.718SS**  trans87.9100.7-172.7-65.2-90.6000112.2
1354C21.9Very low25.5Very low101 Ų101129.2 Ų129.268%0.68272%0.716SS**  85.2153.759-73.40000111.9
1355N23Very low25.5Very low131 Ų131126.2 Ų126.270%0.70171%0.706SS**  trans69.8104.8169.3-61.1-10.6000113.5
1356N22.3Very low25.5Very low137 Ų137126.2 Ų126.273%0.73370%0.702SS**  97.6163.462.6-84-11.4000109.3
1357S22.3Very low25.5Very low98 Ų98123.3 Ų123.369%0.68569%0.69SS**  trans62.6107.3157.541.80000114.9
1358S23.3Very low25.3Very low109 Ų109120.3 Ų120.376%0.76267%0.672SS**  58.298.774.2-54.30000111.4
1359N24.1Very low25.3Very low164 Ų164121 Ų12188%0.87767%0.67SS**  trans160.9140.7152.2-83.3-17.8000104.1
1360S24.4Very low25.1Very low96 Ų96119.1 Ų119.167%0.67166%0.659SS**  cis159.2144.319.2155.10000102.9
1361I24.9Very low25.1Very low132 Ų132116.2 Ų116.268%0.67765%0.652SS**  cis-156.8159.32.6-119.2169.3000108.9
1362N25.3Very low24.9Very low138 Ų138116.3 Ų116.374%0.73865%0.647SS**  trans-0.1140.6156-32.2-27.4000120.4I1364N1362-I1364 HydrophobicContact CB-CD1 4.35Å
1363G26.9Very low24.9Very low70 Ų70119.2 Ų119.272%0.72266%0.657SS**  trans163.293.4162.300000110.2
1364I27Very low24.9Very low125 Ų125113 Ų11364%0.64164%0.643SS**  79.388.953-53.1169.5000113.1N1362N1362-I1364 HydrophobicContact CB-CD1 4.35Å
1365N26.3Very low25.1Very low98 Ų98112.3 Ų112.352%0.52463%0.632SS.*  52.995.5110.3-52.416.3000120.3V576 D577V576-N1365 WeakPolarHBondContact O-CA 3.39Å; V576-N1365 VanDerWaalsContact O-CB 3.26Å; V576-N1365 WeakPolarHBondContact O-CB 3.23Å; D577-N1365 CarbonylContact O-C 3.6Å; D577-N1365 WeakPolarHBondContact O-CA 3.07Å; D577-N1365 PolarHBondContact O-N 2.82Å; D577-N1365 VanDerWaalsContact O-N 3.12Å
1366H27.3Very low25.2Very low140 Ų140109.2 Ų109.265%0.64862%0.615SS**  trans177129.9148.4-103.680.1000119.3V576 D577 T578V576-H1366 HydrophobicContact CB-CB 4.49Å; V576-H1366 HydrophobicContact CG1-CB 4.23Å; D577-H1366 VanDerWaalsContact C-N 3.35Å; D577-H1366 PolarHBondContact O-N 2.88Å; T578-H1366 WeakPolarHBondContact CB-O 3.34Å; T578-H1366 WeakPolarHBondContact CG2-O 3.04Å; T578-H1366 VanDerWaalsContact OG1-CA 3.25Å; T578-H1366 WeakPolarHBondContact OG1-CA 3.33Å; T578-H1366 PolarHBondContact OG1-N 3.38Å; T578-H1366 PolarHBondContact OG1-O 3.39Å
1367Q27.7Very low25.5Very low108 Ų108108.9 Ų108.951%0.50561%0.613SS.*  159.6-161-92.617680.8-117.800110.1D577 T578D577-Q1367 HydrophobicContact CB-CB 3.96Å; D577-Q1367 HydrophobicContact CB-CG 3.76Å; T578-Q1367 HydrophobicContact CG2-CB 4.2Å
1368S26Very low25.6Very low52 Ų52109.4 Ų109.436%0.36461%0.613SS.*  trans67.5146-175.686.20000116.2S575S575-S1368 WeakPolarHBondContact O-CA 3.41Å; S575-S1368 WeakPolarHBondContact O-CB 3.45Å; S575-S1368 PolarHBondContact O-N 3.32Å
1369L26.1Very low25.8Very low83 Ų83109.6 Ų109.644%0.43561%0.614SS.*  cis-156-158.9-18.2-146.675.2000109.2S575S575-L1369 VanDerWaalsContact O-CD1 3.22Å; S575-L1369 WeakPolarHBondContact O-CD1 3.43Å
1370L25.2Very low25.9Very low113 Ų113109 Ų10959%0.59261%0.606SS**  trans-8.6145.7145.4-61.1179.6000116.2
1371H25.6Very low25.9Very low134 Ų134112.3 Ų112.362%0.6261%0.611SS**  cis-162.2136.437.2-127.8-0.4000110.5
1372N24.9Very low25.9Very low117 Ų117112 Ų11263%0.62661%0.61SS**  88.1156.7103.2-90.617.7000117.4
1373I25Very low25.9Very low157 Ų157112.7 Ų112.781%0.80561%0.613SS**  trans69.2109.7168.1-60.5141.1000113.6
1374S23.7Very low26Very low71 Ų71118 Ų11850%0.49761%0.611SS.*  cis95.176.938.3-171.60000115.2I777I777-S1374 WeakPolarHBondContact CD1-OG 3.41Å
1375L26.6Very low26Very low86 Ų86119.1 Ų119.145%0.4562%0.624SS.*  64.3162.5116.1-92.4113.3000123.5I777 N778I777-L1375 HydrophobicContact CB-CD2 4.16Å; I777-L1375 HydrophobicContact CD1-CB 4.4Å; I777-L1375 HydrophobicContact CG1-CB 3.52Å; I777-L1375 HydrophobicContact CG1-CD1 4.06Å; I777-L1375 HydrophobicContact CG1-CD2 3.81Å; I777-L1375 HydrophobicContact CG1-CG 3.99Å; I777-L1375 HydrophobicContact CG2-CD1 3.81Å; I777-L1375 HydrophobicContact CG2-CD2 4.01Å; I777-L1375 HydrophobicContact CG2-CG 4.39Å; N778-L1375 HydrophobicContact CB-CD2 4.4Å; N778-L1375 WeakPolarHBondContact OD1-CD2 3.11Å
1376N25.2Very low26Very low65 Ų65122.1 Ų122.135%0.34864%0.64SS.*  trans71140.3173.1-94.282.7000115.4H776H776-N1376 PolarHBondContact CD2-ND2 2.76Å; H776-N1376 PolarHBondContact CE1-ND2 2.86Å; H776-N1376 PolarHBondContact ND1-ND2 2.78Å; H776-N1376 PolarHBondContact NE2-ND2 3Å
1377D27.1Very low26Very low130 Ų130123.8 Ų123.870%0.69564%0.642SS**  cis-124151.719.7-73.6-50.4000115.8H776H776-D1377 IonicContact CE1-OD1 3.22Å; H776-D1377 PolarHBondContact CE1-OD1 2.99Å; H776-D1377 VanDerWaalsContact CE1-OD1 3.22Å; H776-D1377 IonicContact NE2-OD1 3.35Å
1378T25.8Very low25.9Very low110 Ų110126.2 Ų126.268%0.67566%0.656SS**  trans-147.7120.5159.322.90000109.5
1379S26.2Very low26.1Very low113 Ų113131.8 Ų131.879%0.7968%0.681SS**  trans-165.1138.2174-94.90000114.6
1380Q25.7Very low26.3Very low151 Ų151137.3 Ų137.371%0.70671%0.705SS**  trans56.297.4158.6-49.7-57-7.200119.8
1381H26.2Very low26.6Very low166 Ų166140 Ų14077%0.76971%0.712SS**  -167.4105.6107-102.1-83.8000107.3
1382L24.9Very low26.8Very low126 Ų126144 Ų14466%0.6672%0.723SS**  72.1126.190.3-90158.8000115.3
1383L25Very low27Very low152 Ų152144.2 Ų144.280%0.79673%0.731SS**  trans7478.1162.4-55.7172.1000120.2
1384R27.4Very low27.1Very low180 Ų180144.6 Ų144.668%0.67972%0.723SS**  -177.5103.7129.3-106.6173.3169.8118.7-4.7112.8H674H674-R1384 PolarHBondContact CD2-NH2 2.8Å
1385T27.2Very low27.4Very low149 Ų149147.4 Ų147.491%0.91474%0.737SS**  trans-140.427.8170.76.40000113.1
1386D27.7Very low27.4Very low162 Ų162148.6 Ų148.687%0.86674%0.743SS**  trans-117.465.6176.3-97-49.4000110.9
1387Y25.9Very low27.6Very low174 Ų174147.1 Ų147.168%0.68274%0.736SS**  trans-161.9164.1162.5-131.3-133.1000111.4E671E671-Y1387 WeakPolarHBondContact OE1-CE1 3.4Å
1388I27.4Very low27.5Very low159 Ų159146.3 Ų146.382%0.81573%0.732SS**SBendtrans64.859.6179.6-35.9179.9000115.7
1389L28.2Very low27.6Very low170 Ų170145.2 Ų145.289%0.8972%0.722SS**  trans-146.821.9146.3-114.7-178.6000114.5
1390Q30.7Very low27.7Very low198 Ų198146.7 Ų146.793%0.92572%0.716SS**  trans-109.128.2-176.9-152.4167.193.300114.3
1391K32.7Very low27.8Very low171 Ų171145.4 Ų145.474%0.74371%0.714SS**SBendtrans-115103.3165.1-82.7179.9176.2170.80109.5
1392Y28.7Very low27.9Very low218 Ų218145 Ų14586%0.85572%0.715SS**  trans66.7115.7175.7-45.3-79.1000117.4
1393P29.3Very low28.1Very low121 Ų121145.5 Ų145.579%0.78672%0.718SS**  trans-121.1115.8152.233.6-21.3000111
1394Y27.7Very low28.3Very low164 Ų164144.7 Ų144.764%0.64371%0.714SS**  trans-152.7150.7170.8-108.8-87.9000109.2I1086I1086-Y1394 HydrophobicContact CB-CE1 4.47Å; I1086-Y1394 HydrophobicContact CD1-CE1 4.3Å
1395V30Very low28.2Very low130 Ų130142.8 Ų142.879%0.78872%0.718SS**  trans71134.1-176.8-168.90000113.9
1396I26Very low28.3Very low111 Ų111144.5 Ų144.557%0.56971%0.713SS**  cis179.9163-44.7-105.8163.1000106.4A140A140-I1396 HydrophobicContact CB-CG2 3.93Å
1397T29.4Very low28.3Very low34 Ų34143.2 Ų143.221%0.20971%0.705CS.*  trans134.2139.6148.160.60000114.2P137 L138 F139 A140P137-T1397 WeakPolarHBondContact CB-O 3.47Å; L138-T1397 WeakPolarHBondContact CD2-OG1 3.46Å; L138-T1397 WeakPolarHBondContact CG-OG1 3.1Å; L138-T1397 VanDerWaalsContact N-C 3.28Å; L138-T1397 PolarHBondContact N-O 2.69Å; L138-T1397 WeakPolarHBondContact O-CB 3.5Å; L138-T1397 PolarHBondContact O-OG1 2.77Å; F139-T1397 VanDerWaalsContact N-CB 3.29Å; A140-T1397 HydrophobicContact CB-CG2 4.44Å
1398D24.4Very low28.2Very low113 Ų113142.7 Ų142.760%0.60471%0.711SS**  trans-112.4114177.634.2-155.5000121.7P137 F139P137-D1398 HydrophobicContact CB-CB 3.69Å; P137-D1398 WeakPolarHBondContact CB-OD1 3.31Å; F139-D1398 CarbonylContact C-O 3.17Å; F139-D1398 WeakPolarHBondContact CA-O 3.38Å; F139-D1398 VanDerWaalsContact N-CA 3.26Å; F139-D1398 PolarHBondContact N-O 3.35Å; F139-D1398 CarbonylContact O-C 3.57Å; F139-D1398 WeakPolarHBondContact O-CA 3.34Å; F139-D1398 PolarHBondContact O-N 2.95Å
1399N28.8Very low28.2Very low88 Ų88140 Ų14047%0.47170%0.698SS.*  trans-138.2-146.7-171.4-154.158.3000120.9P137 L138 F139P137-N1399 PolarHBondContact O-N 2.69Å; L138-N1399 VanDerWaalsContact C-CB 3.47Å; L138-N1399 VanDerWaalsContact CA-CB 3.41Å; L138-N1399 HydrophobicContact CB-CB 4.3Å; F139-N1399 HydrophobicContact CB-CB 3.97Å; F139-N1399 WeakPolarHBondContact CB-OD1 3.26Å
1400E28.6Very low28.2Very low143 Ų143134.8 Ų134.867%0.66867%0.669SS**  trans-164.9161.1-136.4-67.9-165.8-149.900112.2
1401N27.4Very low28.1Very low124 Ų124128.8 Ų128.866%0.66365%0.649SS**  cis-165.4170.9-10.9-113.6-40.5000112.7
1402M27.6Very low27.9Very low158 Ų158125.8 Ų125.878%0.77864%0.64SS**  trans108.4117.9155.8-66-68.1163.100122.3
1403N29.2Very low27.8Very low136 Ų136122 Ų12273%0.72764%0.635SS**  trans68.986.9141-69.95.3000124
1404D28.9Very low28.3Very low135 Ų135122.1 Ų122.172%0.72263%0.628SS**  49.2134101.5-79.332.2000125.3
1405N26.6Very low28.5Very low141 Ų141120 Ų12075%0.75464%0.635SS**  trans75.3100.2139.3-74.7-49000122
1406K28.4Very low28.7Very low185 Ų185120.1 Ų120.180%0.80463%0.63SS**  -171.8127.9113.2-110.3-175.9172.1-176.70115.6
1407L28.9Very low28.8Very low135 Ų135123.8 Ų123.871%0.70764%0.637SS**  trans56.8123.2147.8-60.1162.6000118.4
1408M24.2Very low28.7Very low163 Ų163129.9 Ų129.980%0.80367%0.667SS**  53.8126.570.6-65.3179.6167.300112.4
1409N25.5Very low28.7Very low101 Ų101130.9 Ų130.954%0.5467%0.667SS.*  cis-161.716145.2-118-9.9000108.5Y794 N795Y794-N1409 CarbonylContact C-O 3.45Å; Y794-N1409 VanDerWaalsContact O-O 3.05Å; N795-N1409 PolarHBondContact N-O 2.66Å
1410E30Very low28.6Very low62 Ų62132.7 Ų132.729%0.2968%0.676SS.*  cis-169.7-14638.1-149.4173.512700110.2Y794 N795 Q796 N797Y794-E1410 WeakPolarHBondContact CB-O 3.26Å; N795-E1410 HydrophobicContact CB-CB 3.5Å; Q796-E1410 WeakPolarHBondContact CG-OE2 3.33Å; Q796-E1410 PolarHBondContact NE2-OE2 2.85Å; N797-E1410 PolarHBondContact ND2-OE1 3.37Å
1411S27.1Very low28.4Very low72 Ų72131 Ų13150%0.50368%0.675SS.*  trans-83.1-155177.1-55.50000113.3Y794 N795Y794-S1411 WeakPolarHBondContact CB-O 3.35Å; Y794-S1411 WeakPolarHBondContact CD1-O 3.31Å; N795-S1411 WeakPolarHBondContact CB-O 3.18Å; N795-S1411 PolarHBondContact ND2-O 3.44Å; N795-S1411 PolarHBondContact OD1-O 2.99Å
1412L28.8Very low28.2Very low107 Ų107131.8 Ų131.856%0.5668%0.68SS**  cis-134.8-128.514.9-71.7166.5000111.8
1413N27.2Very low28Very low139 Ų139128.8 Ų128.874%0.74368%0.675SS**  trans-166.5179.4-172.3-123.7-91.5000116.9
1414L39.1Very low27.7Very low124 Ų124129.3 Ų129.365%0.64968%0.677SS**  trans-31.6163.2168.8-99.579.2000120.1L1416L1414-L1416 HydrophobicContact CD2-CD1 4.05Å; L1414-L1416 HydrophobicContact CD2-CG 4Å
1415P31.8Very low27.5Very low120 Ų120128.7 Ų128.778%0.77968%0.678SS**  -139.8161.898.239.1-26.6000114.4
1416L33.6Very low27.4Very low131 Ų131127.5 Ų127.569%0.68668%0.676SS**  cis86.8131.718-91.6172.6000119.8L1414L1414-L1416 HydrophobicContact CD2-CD1 4.05Å; L1414-L1416 HydrophobicContact CD2-CG 4Å
1417R28.6Very low27.2Very low188 Ų188124 Ų12471%0.70967%0.671SS**  trans73.4158.6163.7-64.7-176.2178.1-167.9-2.3115.5F1419R1417-F1419 HydrophobicContact CB-CD2 4.4Å; R1417-F1419 HydrophobicContact CG-CD2 3.93Å; R1417-F1419 HydrophobicContact CG-CE2 4.25Å
1418L27.5Very low27.1Very low163 Ų163123.4 Ų123.485%0.85367%0.668SS**  cis-124.2158.627.9-63152.7000112.5
1419F25.4Very low27.2Very low134 Ų134121.8 Ų121.859%0.58866%0.663SS**  cis89.8111.632.4-97.5-90.6000117.6R1417R1417-F1419 HydrophobicContact CB-CD2 4.4Å; R1417-F1419 HydrophobicContact CG-CD2 3.93Å; R1417-F1419 HydrophobicContact CG-CE2 4.25Å
1420N25.2Very low27.4Very low126 Ų126122 Ų12267%0.67467%0.668SS**  trans80.1130.8137.6-9922.6000125.4
1421T25.8Very low27.4Very low106 Ų106124.7 Ų124.765%0.6569%0.685SS**  trans72.2127.113552.50000124.3
1422N23.3Very low27.4Very low142 Ų142127.2 Ų127.276%0.75969%0.692SS**  trans73.395.2130.7-64.815.4000122
1423S23.2Very low27.3Very low95 Ų95127.8 Ų127.866%0.66470%0.696SS**  68135116.2700000122.9
1424N23.1Very low27.3Very low146 Ų146128.1 Ų128.178%0.78170%0.698SS**  trans95.4151.4141.7-72.3-6.4000122.1
1425T24.4Very low26.8Very low122 Ų122127.4 Ų127.475%0.74870%0.698SS**  trans72.7102.3161.436.20000119.6
1426T23.9Very low26.3Very low116 Ų116127.4 Ų127.471%0.71269%0.691SS**  41.4134.4117.158.30000118.3
1427T25.1Very low25.9Very low113 Ų113130 Ų13069%0.69369%0.693SS**  cis-169.3167.724.41.20000106.4
1428N26.5Very low25.9Very low121 Ų121127 Ų12765%0.64769%0.691SS**  cis-177.715648.5-129.1-17.5000109.6
1429N26.7Very low25.8Very low129 Ų129124.6 Ų124.669%0.6968%0.683SS**  trans64.6142.3149.8-65.8-18.7000119.6
1430T29.4Very low25.8Very low106 Ų106124.1 Ų124.165%0.6570%0.695SS**  cis-154.8151.83.9-2.10000113.3
1431N28.9Very low25.9Very low119 Ų119121.5 Ų121.564%0.63670%0.698SS**  trans72.1106.3144.3-69.1-17.5000121.1
1432N28.7Very low25.9Very low124 Ų124121.3 Ų121.366%0.66370%0.701SS**  80.4147.8115.4-60.5-11.8000119.8
1433N26.5Very low26.2Very low119 Ų119123.9 Ų123.964%0.63671%0.706SS**  cis-179.2148.9-27.6-105.9-11.8000106.9
1434N26.1Very low26.4Very low146 Ų146125 Ų12578%0.78171%0.705SS**  trans63.9167.3159.2-57.9-17000114.7
1435V28.5Very low26.7Very low110 Ų110124.2 Ų124.267%0.66770%0.7SS**  cis-146.8132.1-10.8110.30000104.6
1436L23Very low26.8Very low120 Ų120123.9 Ų123.963%0.62869%0.694SS**  66.5139.780.6-121.8-177.5000114
1437Y25Very low27.1Very low184 Ų184126.9 Ų126.972%0.72270%0.699SS**  trans70.7152.3174.9-57.5-66.4000116.2
1438D28Very low27.2Very low126 Ų126126.9 Ų126.967%0.67470%0.695SS**  cis-149.3166.74.3-132.7-26.9000116.6
1439T25.9Very low27.2Very low112 Ų112128 Ų12869%0.68770%0.699SS**  trans-41.417316054.70000117.3
1440C23.8Very low27.4Very low124 Ų124128.5 Ų128.584%0.83870%0.702SS**  cis-172.7170.3-16.252.50000110.2
1441G28.8Very low27.3Very low71 Ų71130 Ų13073%0.73271%0.706SS**  trans136.999.1160.600000113
1442S25.9Very low27.2Very low102 Ų102131.2 Ų131.271%0.71371%0.712SS**  83.1103.253.4-175.70000114.3
1443F29.4Very low27.2Very low197 Ų197130.3 Ų130.386%0.86472%0.716SS**  trans175.1108.8140.3-88.9-65.3000105.9
1444N26.2Very low27.3Very low119 Ų119131.8 Ų131.864%0.63672%0.72SS**  58131.891.3-8365000113.5
1445D30.7Very low27.5Very low128 Ų128131.8 Ų131.868%0.68472%0.719SS**  cis-147.7138.628-93.3-56.5000116.5
1446N25.8Very low27.5Very low115 Ų115132.1 Ų132.162%0.61572%0.717SS**  trans27.4115.3133.1-64.1-68.3000122.8
1447H31.1Very low27.8Very low179 Ų179136.1 Ų136.183%0.82973%0.725SS**  -169.1100.5118.8-112.7-83.4000109.8
1448L26.5Very low28Very low114 Ų114135.4 Ų135.460%0.59773%0.733SS**  54.5106.397.9-79.392.5000114.7
1449I27.1Very low28Very low144 Ų144135.2 Ų135.274%0.73874%0.737SS**  75.2121.588.4-73.2173.8000110.7
1450N30.1Very low28.1Very low139 Ų139135.6 Ų135.674%0.74373%0.733SS**  -157.6134.965.8-152.225.3000115
1451N26.9Very low28.4Very low138 Ų138134 Ų13474%0.73871%0.714SS**  trans-89.4159.7151.8-74.6-29.9000108.5
1452N27.7Very low28.4Very low144 Ų144137.1 Ų137.177%0.7771%0.709SS**  168.8161.5129.3-90.6-23000115.1
1453S29.2Very low28.6Very low105 Ų105136.7 Ų136.773%0.73471%0.706SS**  trans69.4144.916570.60000116.5
1454M27.8Very low28.6Very low150 Ų150134.2 Ų134.274%0.73970%0.701SS**  cis-152.7137.2-4.6-123.7155.2144.300105.5
1455I30.1Very low28.7Very low146 Ų146134.7 Ų134.775%0.74970%0.703SS**  51.4107.556.2-55.2-179.7000111.8
1456D29.1Very low28.7Very low118 Ų118134.3 Ų134.363%0.63170%0.701SS**  -176.4167.6124.9-103.7-40.5000113.1
1457Y29.2Very low29Very low203 Ų203135.4 Ų135.480%0.79671%0.707SS**  trans70.7132.6-176-56.7-84.7000115.3
1458L29.3Very low28.9Very low170 Ų170133.1 Ų133.189%0.8970%0.701SS**  cis-116.9169.111.8-77164.8000114.2
1459T27.3Very low29.2Very low122 Ų122133.6 Ų133.675%0.74870%0.704SS**  trans-107.4-172.5-161.5-38.90000112.7
1460I28.2Very low29.2Very low119 Ų119133.2 Ų133.261%0.6170%0.703SS**  trans88.7115.2172.5-57.2169.1000112.7
1461E29.6Very low29.1Very low92 Ų92133.8 Ų133.843%0.4371%0.706SS.*  cis-159.8176.31.4-129.2-155.4149.800116Y392Y392-E1461 WeakPolarHBondContact CB-OE1 3.33Å; Y392-E1461 VanDerWaalsContact CB-OE2 3.24Å; Y392-E1461 WeakPolarHBondContact CB-OE2 3.4Å; Y392-E1461 PolarHBondContact N-OE2 3.49Å
1462Q28.6Very low29.3Very low135 Ų135132.3 Ų132.363%0.63171%0.707SS**  trans33.4131.3154-76.1-177.153.200120
1463S30.6Very low29.3Very low94 Ų94134.5 Ų134.566%0.65771%0.71SS**  cis-168.8146.532.649.90000115.6
1464I28.9Very low29.1Very low145 Ų145135.9 Ų135.974%0.74471%0.709SS**  trans68.6118.3135.4-65.1169.5000121.3
1465N29.8Very low29Very low129 Ų129135.9 Ų135.969%0.6971%0.71SS**  trans76.4101.8148.3-73.2-13.6000123.1
1466N30.6Very low28.9Very low119 Ų119133.5 Ų133.564%0.63671%0.707SS**  80.5124.9112.2-64-16000121.7
1467N31.7Very low28.7Very low138 Ų138134.9 Ų134.974%0.73871%0.714SS**  trans65.7139.1137.8-61-8.3000117.8
1468N29Very low28.6Very low131 Ų131132.6 Ų132.670%0.70172%0.715SS**  cis172.6-178.3-15.8-124.715.7000104.2
1469D33.2Very low28.4Very low125 Ų125130.5 Ų130.567%0.66871%0.705SS**  trans62.779154.5-57.3-33.5000118.2
1470N27.2Very low28.6Very low135 Ų135129.9 Ų129.972%0.72270%0.701SS**  29.3141.3110.2-60.5-60.3000119.7
1471N27.9Very low28.6Very low151 Ų151130.7 Ų130.781%0.80771%0.706SS**  trans104.4159.9151.1-55.7-66.5000118.5
1472S30.2Very low28.6Very low108 Ų108132.6 Ų132.676%0.75572%0.715SS**  trans65.2113.2172.350.90000116.6
1473F27.9Very low28.8Very low189 Ų189132.9 Ų132.983%0.82972%0.721SS**  80.8107.964-95.4-109.1000114.5
1474L25.5Very low28.8Very low135 Ų135135 Ų13571%0.70772%0.72SS**  trans51.6138.3135.2-63.6-175.1000122
1475L24.9Very low28.8Very low149 Ų149134.1 Ų134.178%0.7872%0.716SS**  trans83.8164.6140.1-112.773.4000119.7
1476S27.7Very low28.6Very low97 Ų97135.4 Ų135.468%0.67872%0.717SS**  trans63.498.5168.440.30000117.1
1477N24.9Very low28.3Very low146 Ų146135.8 Ų135.878%0.78172%0.719SS**  80.5140.376.3-85-22.5000114.5
1478L27.5Very low28Very low155 Ų155135.8 Ų135.881%0.81272%0.719SS**  trans68.1144.6158-62.6155.6000115.3
1479N26.2Very low27.8Very low126 Ų126134.4 Ų134.467%0.67472%0.719SS**  cis167.1179.5-3178.817.7000104
1480V31.4Very low27.4Very low109 Ų109134 Ų13466%0.66172%0.721SS**  trans68.987.8167.4-1620000112.9
1481N26.9Very low27.3Very low136 Ų136135.2 Ų135.273%0.72773%0.726SS**  72.4155.252.3-158.66.5000113.5
1482Q29.5Very low27.3Very low133 Ų133131.6 Ų131.662%0.62173%0.725SS**  trans67.3100170.9-63.8172.2-21.200116.6
1483N32.7Very low27.3Very low140 Ų140133.5 Ų133.575%0.74973%0.725SS**  168.6145.4100.7-82.3-45.2000111.5
1484H30.5Very low27.6Very low139 Ų139129.8 Ų129.864%0.64472%0.72SS**  cis-167144.2-31-132.7-19.7000109.1
1485I29.3Very low27.9Very low126 Ų126128.1 Ų128.165%0.64672%0.719SS**  trans64.2123.1141.8-80.2166.1000120.7
1486H26.6Very low28.5Very low157 Ų157125.9 Ų125.973%0.72771%0.714SS**  trans69.3115.4145.1-81-133000122.5
1487L24.6Very low28.8Very low127 Ų127129.7 Ų129.767%0.66572%0.719SS**  44.5129.1105.3-75.9165000119.9
1488N23.6Very low29.3Very low138 Ų138129.6 Ų129.674%0.73871%0.713SS**  trans79151.6153.6-60.6-21.7000118.7
1489S25Very low29.6Very low102 Ų102128.7 Ų128.771%0.71371%0.709SS**  trans69.4105.5147.646.90000120
1490T24.8Very low29.9Very low115 Ų115126.1 Ų126.171%0.70670%0.701SS**  73.5103.3109.5-51.20000118.6
1491I25.5Very low29.9Very low161 Ų161128.5 Ų128.583%0.82671%0.71SS**  trans62.7123.9141.3-54.8170.8000117.6
1492G27.2Very low30Very low76 Ų76126.6 Ų126.678%0.78471%0.707SS**  trans-172.378.5169.400000115.4
1493I32.1Very low30Very low147 Ų147126 Ų12675%0.75471%0.713SS**  trans-76152.6173-21.4177.4000110.8
1494P32.3Very low29.7Very low111 Ų111125 Ų12572%0.72171%0.712SS**  -130.4138.3112.19.112.4000111.9
1495S32.9Very low29.5Very low100 Ų100123.9 Ų123.970%0.69972%0.715SS**  66.1140.264.3-580000112.7
1496P36.4Very low29.4Very low103 Ų103123.3 Ų123.367%0.66972%0.718SS**  cis-127.9-177.633.131.4-8.7000113.5
1497F34.4Very low29.7Very low177 Ų177122.9 Ų122.978%0.77673%0.726SS**  cis-137.4150.921.8-101.2-97000113.1
1498H35.6Very low29.9Very low144 Ų144123.4 Ų123.467%0.66773%0.73SS**  trans15144.8139.6-66.9-99.8000119.7
1499N33.5Very low30.1Very low135 Ų135120.9 Ų120.972%0.72272%0.723SS**  cis-171.5169.89.7-114.79.9000107.6
1500S33.4Very low30.1Very low72 Ų72120.7 Ų120.750%0.50372%0.722SS.*  cis177.9143.2-29.254.10000109.2
1501N30.5Very low30.1Very low159 Ų159122.6 Ų122.685%0.8573%0.726SS**  trans68.1143.8167.4-56.3-26.3000116.6
1502S30.4Very low30.5Very low97 Ų97119.9 Ų119.968%0.67872%0.719SS**  cis-163.7168.9-8.448.50000112.9
1503T28.3Very low30.5Very low119 Ų119123 Ų12373%0.7372%0.718SS**  trans74.2121.7153.737.30000121.3
1504T26.7Very low30.2Very low120 Ų120123.5 Ų123.574%0.73672%0.721SS**  trans74.2114.8147.248.20000122
1505T26.3Very low30Very low115 Ų115126.6 Ų126.671%0.70673%0.731SS**  trans69.3115.614645.90000121.4
1506T27Very low29.6Very low114 Ų114127.7 Ų127.770%0.69973%0.728SS**SBendtrans57.797.9147.4500000119.6N1508T1506-N1508 VanDerWaalsContact C-N 3.28Å; T1506-N1508 PolarHBondContact O-N 2.71Å
1507T34.2Very low29.3Very low149 Ų149131.9 Ų131.991%0.91473%0.732SS**  trans51.237.6144.357.70000117
1508N28.6Very low29.1Very low137 Ų137130.5 Ų130.573%0.73373%0.728SS**  trans-64.7157.7154.3-80-26.1000110.6T1506T1506-N1508 VanDerWaalsContact C-N 3.28Å; T1506-N1508 PolarHBondContact O-N 2.71Å
1509S28Very low29Very low86 Ų86130.8 Ų130.860%0.60173%0.729SS**  cis178.3-160.2-18.556.10000106
1510S24.9Very low28.7Very low97 Ų97134.4 Ų134.468%0.67873%0.733SS**  trans74.1147.3150.8-57.40000117.4
1511I25.1Very low28.7Very low155 Ų155136 Ų13680%0.79574%0.735SS**  cis-155.5161.7-26.1-126.6151000107
1512P32.3Very low28.8Very low104 Ų104136.1 Ų136.168%0.67573%0.731SS**  trans-99.5-156.7-15542.2-39.8000113.9
1513D28.5Very low28.9Very low143 Ų143137.5 Ų137.577%0.76573%0.73SS**  trans-41.3173.9165.6-54.7-85.9000116.3
1514L25.8Very low29Very low157 Ų157139.1 Ų139.182%0.82273%0.731SS**  trans85.7102.3170.1-58.1165.5000116
1515L26.4Very low29.2Very low176 Ų176137 Ų13792%0.92172%0.722SS**  trans-129.962.3142.2-126.5177.5000111.5
1516N26.1Very low29.3Very low122 Ų122138.3 Ų138.365%0.65272%0.724SS**SBendtrans-153.6138.8150.3-123.3-22.7000113.7
1517Y28.8Very low29.4Very low192 Ų192139.8 Ų139.875%0.75373%0.727SS**  trans57.792.9168.1-70.5-80.8000122.1
1518H31.3Very low29Very low148 Ų148136.8 Ų136.869%0.68571%0.712SS**  54.8124.1123.9-84.5-93.4000123.5
1519H32.5Very low28.8Very low150 Ų150134.5 Ų134.569%0.69470%0.704SS**  trans74.8117.5139.9-73.8-43.4000122.7
1520R28.5Very low28.7Very low211 Ų211132.4 Ų132.480%0.79669%0.687SS**  trans68.2140.9133.1-61.4179.778.6-172.32.2117.1
1521L33.3Very low28.8Very low106 Ų106131.3 Ų131.356%0.55568%0.677SS**  cis-160.1166.8-3.6-106.9170.9000107.8
1522E32.8Very low28.8Very low161 Ų161128.5 Ų128.575%0.75267%0.667SS**  trans28.8139.5143.8-72.2161.2-163.400121.4
1523D31.6Very low28.5Very low126 Ų126129.5 Ų129.567%0.67467%0.671SS**  cis-173.4173.4-9.7-151.3-18.8000108.9
1524M30.9Very low28.4Very low152 Ų152128.4 Ų128.475%0.74967%0.67SS**  trans51.6146.5154.9-62.2-79.7100.600120.9
1525S30.3Very low28.6Very low77 Ų77126.8 Ų126.854%0.53867%0.667SS.*  cis-176149.5-17.5620000110.8
1526N28.1Very low29.1Very low141 Ų141124.9 Ų124.975%0.75466%0.662SS**  trans66.9150.6139.6-66.6-20.9000122.9
1527L29.6Very low29.2Very low145 Ų145124 Ų12476%0.75966%0.663SS**  trans54.4109.8152.8-86.842.1000117.9
1528S25.1Very low29.1Very low87 Ų87120.1 Ų120.161%0.60866%0.66SS**  cis72.4157.641.793.30000116.1
1529T25.6Very low28.9Very low89 Ų89119 Ų11955%0.54666%0.663SS.*  trans58.696.7155.646.20000118.7
1530T25.7Very low28.7Very low41 Ų41116.5 Ų116.525%0.25267%0.669SS.*  62.1155.2114.870.90000117.3S867 S868 I869S867-T1530 WeakPolarHBondContact OG-CA 3.16Å; S867-T1530 PolarHBondContact OG-N 2.79Å; S868-T1530 WeakPolarHBondContact O-CB 3.37Å; S868-T1530 WeakPolarHBondContact O-CG2 3.43Å; S868-T1530 WeakPolarHBondContact OG-CG2 3.37Å; I869-T1530 HydrophobicContact CB-CG2 3.96Å; I869-T1530 HydrophobicContact CD1-CG2 3.67Å; I869-T1530 HydrophobicContact CG1-CG2 3.81Å
1531T25.6Very low28.7Very low75 Ų75111.1 Ų111.146%0.4666%0.661SS.*  cis-164.2173.336.3-300000109.1S868 I869S868-T1531 WeakPolarHBondContact O-CG2 3.27Å; I869-T1531 HydrophobicContact CB-CG2 4.09Å; I869-T1531 HydrophobicContact CG2-CG2 4.04Å
1532T25.7Very low28.4Very low96 Ų96113.3 Ų113.359%0.58967%0.672SS**  trans-12.4148.215257.40000117.9
1533T25.8Very low28.3Very low124 Ų124112.1 Ų112.176%0.76168%0.675SS**  -166.4154.3109.915.50000113.5
1534T26.4Very low28.1Very low121 Ų121110.2 Ų110.274%0.74267%0.672SS**  trans27.8131.7148.862.60000119.5
1535T30.9Very low27.7Very low123 Ų123110.6 Ų110.676%0.75568%0.677SS**  cis-149.8127.343.245.80000113.8
1536T35.6Very low27.3Very low135 Ų135112.9 Ų112.983%0.82868%0.683SS**  trans-66.4150.8138.949.40000108.4
1537P28.7Very low27Very low103 Ų103111.8 Ų111.867%0.66968%0.677SS**  -156.5-172.2100.236.6-14.9000115.5
1538T27.4Very low26.6Very low112 Ų112110.4 Ų110.469%0.68767%0.669SS**  trans54.196.9149.546.60000118.5
1539T26Very low26.6Very low124 Ų124112.4 Ų112.476%0.76167%0.674SS**  77.2110.276.862.90000115.7
1540A28.9Very low26.8Very low98 Ų98114 Ų11481%0.8168%0.678SS**  trans65.7172.7144.900000117.4
1541P29.6Very low27Very low97 Ų97116.9 Ų116.963%0.6370%0.696SS**  cis-115.6162.9-14.215.57.3000113.4T1543P1541-T1543 PolarHBondContact O-N 3.25Å
1542I25.7Very low27.1Very low152 Ų152121 Ų12178%0.77971%0.71SS**  17.375.8126.3-38166.7000115.6
1543T31.4Very low27.2Very low136 Ų136123 Ų12383%0.83472%0.715SS**  trans-115.26314356.10000108.7P1541 L1545P1541-T1543 PolarHBondContact O-N 3.25Å; T1543-L1545 PolarHBondContact O-N 2.71Å
1544S27.1Very low27.2Very low87 Ų87121.4 Ų121.461%0.60871%0.709SS**  trans-49.8117.4146.5510000108.7
1545L23.2Very low27.2Very low160 Ų160121.3 Ų121.384%0.83871%0.709SS**  -152.299.5121.9-96.3146.6000106.9T1543T1543-L1545 PolarHBondContact O-N 2.71Å
1546N21.9Very low26.8Very low125 Ų125124.6 Ų124.667%0.66871%0.709SS**  34.4149110-101.331.1000118.5
1547N21.4Very low26.2Very low118 Ų118127.9 Ų127.963%0.63171%0.706SS**  trans78.6141.7137-74.66.3000119.4
1548L21.9Very low26.1Very low115 Ų115128.3 Ų128.360%0.60270%0.702SS**  trans68.5159.4139.4-86.755.3000117.1L1550L1548-L1550 HydrophobicContact CD1-CD1 3.66Å; L1548-L1550 HydrophobicContact CD1-CG 4.09Å; L1548-L1550 HydrophobicContact CD2-CD1 4.48Å; L1548-L1550 HydrophobicContact CG-CD1 3.73Å; L1548-L1550 HydrophobicContact CG-CG 4Å
1549D24Very low26.1Very low130 Ų130130.3 Ų130.370%0.69570%0.704SS**  cis-103.3141.9-15.3-81.3-63.7000107.9
1550L29.3Very low26.2Very low122 Ų122130.2 Ų130.264%0.63970%0.699SS**  58.8148.854.2-55-167.6000111.2L1548L1548-L1550 HydrophobicContact CD1-CD1 3.66Å; L1548-L1550 HydrophobicContact CD1-CG 4.09Å; L1548-L1550 HydrophobicContact CD2-CD1 4.48Å; L1548-L1550 HydrophobicContact CG-CD1 3.73Å; L1548-L1550 HydrophobicContact CG-CG 4Å
1551T29.9Very low26.3Very low102 Ų102131.4 Ų131.463%0.62669%0.691SS**  cis-151.9160.37.1-9.70000105.1I1553T1551-I1553 HydrophobicContact CG2-CD1 4.47Å; T1551-I1553 HydrophobicContact CG2-CG1 4.42Å
1552E28.6Very low26.2Very low162 Ų162133.3 Ų133.376%0.75770%0.695SS**  cis-144.8141.941-81-160.2133.400110.7
1553I27.1Very low26.3Very low137 Ų137134.4 Ų134.470%0.70369%0.689SS**  57.2125.996.2-51.5167.5000111.5T1551T1551-I1553 HydrophobicContact CG2-CD1 4.47Å; T1551-I1553 HydrophobicContact CG2-CG1 4.42Å
1554S26.5Very low26.2Very low90 Ų90134.3 Ų134.363%0.62968%0.683SS**  cis-149.7153.326.348.10000114.9
1555T25.7Very low26.3Very low120 Ų120136 Ų13674%0.73670%0.695SS**  trans55.4121.9148.451.80000120
1556Y22.5Very low26.6Very low192 Ų192134.3 Ų134.375%0.75369%0.686SS**  63.3131.465.4-94.1-115.9000115.5
1557R24.3Very low26.9Very low203 Ų203132.1 Ų132.177%0.76667%0.674SS**  trans73.1145.9154.9-70.7-165.1169108.10.8118.3
1558D26.6Very low27.4Very low112 Ų112133 Ų13360%0.59968%0.679SS**  cis-121.1152-16-85.1-51.6000106.5
1559E26.1Very low27.8Very low154 Ų154134.2 Ų134.272%0.7269%0.686SS**  51.8146.164.7-90.3-71.2-169.800113
1560N28.1Very low28.1Very low123 Ų123131.9 Ų131.966%0.65868%0.676SS**  trans71.6124.4-170-46.3-87.7000115.5
1561L31.5Very low28.1Very low122 Ų122131.5 Ų131.564%0.63968%0.675SS**  cis-156.7143.3-12.3-149.349.6000112.7
1562I28.1Very low28.2Very low138 Ų138134.4 Ų134.471%0.70869%0.686SS**  trans-10.8141.4142.1-52.2159.9000114.2
1563R26.9Very low28.2Very low174 Ų174134.1 Ų134.166%0.65769%0.688SS**  trans93.779.2171.4-164.5-166.5-74.4110.8-7.8115.4L1567R1563-L1567 HydrophobicContact CG-CD1 3.9Å
1564N29.3Very low28.2Very low135 Ų135131.7 Ų131.772%0.72268%0.683SS**SBendtrans-162.9-41.7141.4-99.4-19.9000113.5L1566 L1567N1564-L1566 PolarHBondContact O-N 3.26Å; N1564-L1567 PolarHBondContact O-N 3.03Å
1565S29Very low28.3Very low122 Ų122134.9 Ų134.985%0.85369%0.693SS**THydrogen-bonded Turntrans-74.227.8170.7-166.20000113.5
1566L30.3Very low28.3Very low124 Ų124135.4 Ų135.465%0.64970%0.7SS**THydrogen-bonded Turntrans-149.627.4-172.7-128.8172000110.5N1564N1564-L1566 PolarHBondContact O-N 3.26Å
1567L28.8Very low28.6Very low80 Ų80133.8 Ų133.842%0.41970%0.703SS.*SBendtrans-140-11.6-174.6-132.494.1000116.4R1563 N1564 N1571R1563-L1567 HydrophobicContact CG-CD1 3.9Å; N1564-L1567 PolarHBondContact O-N 3.03Å; L1567-N1571 PolarHBondContact O-ND2 3.37Å
1568N30.1Very low28.7Very low135 Ų135131.7 Ų131.772%0.72271%0.707SS**SBendtrans-100.9-44.4176.6-77.1-8000112.2V1570 N1571N1568-V1570 PolarHBondContact O-N 3.14Å; N1568-N1571 PolarHBondContact O-N 3.43Å; N1568-N1571 VanDerWaalsContact O-N 3.16Å
1569D30.7Very low28.8Very low141 Ų141134.2 Ų134.275%0.75472%0.72SS**THydrogen-bonded Turntrans-71.88.4174.7-54-55.8000114
1570V30.9Very low28.8Very low82 Ų82135.5 Ų135.550%0.49773%0.726SS.*THydrogen-bonded Turntrans-111.7-5.6178-179.90000111.7N1568N1568-V1570 PolarHBondContact O-N 3.14Å
1571N29.2Very low28.8Very low114 Ų114136.9 Ų136.961%0.6173%0.732SS**SBendtrans-104.76.3-178-86.9-54.1000115.4L1567 N1568L1567-N1571 PolarHBondContact O-ND2 3.37Å; N1568-N1571 PolarHBondContact O-N 3.43Å; N1568-N1571 VanDerWaalsContact O-N 3.16Å
1572L31.2Very low28.7Very low162 Ų162138.4 Ų138.485%0.84875%0.747SS**SBendtrans-128.814166.5-14472.9000114.5
1573I29.3Very low28.6Very low157 Ų157138.1 Ų138.181%0.80575%0.746SS**SBendtrans-118.448.1161.9-46.1-176.6000108.5
1574S27.3Very low28.6Very low86 Ų86135.9 Ų135.960%0.60175%0.752SS**SBendtrans-151.241.1176.4-170.30000112
1575N28.4Very low28.5Very low157 Ų157135.6 Ų135.684%0.8476%0.756SS**SBendtrans-152.437.6170.7-99.5-26.2000111.4
1576C26.2Very low28.4Very low130 Ų130136.7 Ų136.788%0.87875%0.752SS**SBendtrans-137.88.6174-84.30000113.3
1577I27.5Very low28.2Very low159 Ų159137.1 Ų137.182%0.81575%0.754SS**SBendtrans-143.384.7171.1-53.2178.5000107.1
1578D27.2Very low28.1Very low158 Ų158140.1 Ų140.185%0.84577%0.77SS**SBendtrans179.369.6152.5-97.8-14.2000109.8
1579D28.2Very low28Very low165 Ų165141.5 Ų141.588%0.88277%0.774SS**SBendtrans-155.721158.6-136.3-2.6000114
1580Q27.2Very low27.9Very low182 Ų182141.2 Ų141.285%0.8577%0.772SS**SBendtrans-143.1152.4163.9-70.5-16314.700109.9
1581I28.4Very low27.8Very low152 Ų152143.3 Ų143.378%0.77978%0.78SS**  trans7457.4179.8-35.9177.7000115.1N1583I1581-N1583 HydrophobicContact CG2-CB 4.11Å
1582T27.7Very low27.8Very low154 Ų154144 Ų14495%0.94578%0.784SS**  trans-93.484.2134.138.80000108.6
1583N26.7Very low27.7Very low131 Ų131140 Ų14070%0.70178%0.782SS**  trans-119.9130.8-179-153.4-5.9000109.4I1581I1581-N1583 HydrophobicContact CG2-CB 4.11Å
1584T27.1Very low27.7Very low127 Ų127141.3 Ų141.378%0.77978%0.778SS**  trans66.8153.1-166.180.40000113.9
1585T27.9Very low27.9Very low130 Ų130142.4 Ų142.480%0.79878%0.778SS**  cis-123.5154.312.8490000114.3
1586N25.8Very low28.1Very low144 Ų144140.1 Ų140.177%0.7777%0.769SS**  trans-80.7145.6161.7-106.2-39.5000110.1
1587I27.3Very low28.3Very low134 Ų134141 Ų14169%0.68776%0.761SS**SBendtrans61.2114.1141.9-60.7168.4000117.9
1588D26Very low28.4Very low142 Ų142139.7 Ų139.776%0.75975%0.751SS**  trans73148.2149-75.4-26.9000123.3
1589M28.6Very low28.6Very low164 Ų164138.7 Ų138.781%0.80875%0.745SS**  trans76.782.1151.7-76.9-179.3-69.900121.5
1590N27.2Very low28.6Very low135 Ų135136.6 Ų136.672%0.72274%0.738SS**  96.6149.4101.6-140.76.4000120.2
1591L29.5Very low28.6Very low127 Ų127133 Ų13367%0.66573%0.729SS**  trans63.496.4161.1-67.9169.6000120
1592N28.7Very low28.7Very low128 Ų128132.1 Ų132.168%0.68473%0.731SS**  49.7102.2113-593.9000118.6
1593G30.5Very low29.3Very low79 Ų79129.3 Ų129.381%0.81472%0.723SS**  trans-88.4-42170.600000116
1594Y29.2Very low29.6Very low183 Ų183129 Ų12972%0.71873%0.728SS**  trans62.2109-167.2-87.2-105.6000113.4
1595N30.7Very low30Very low110 Ų110130.8 Ų130.859%0.58873%0.732SS**  95.9101.274.2-91.137.1000110.4
1596T32.8Very low30.6Very low108 Ų108129.9 Ų129.966%0.66373%0.728SS**  86.5-178.981.359.20000111.7
1597E30.6Very low30.9Very low150 Ų150128.9 Ų128.970%0.70173%0.73SS**  trans100.5122.4159-48.6-111.8120.100115.8
1598Q30Very low31.2Very low131 Ų131128.2 Ų128.261%0.61273%0.734SS**  cis-160.7149.5-12.7-132.6-16560.800114.1
1599L29.6Very low31.5Very low136 Ų136126.4 Ų126.471%0.71273%0.73SS**  trans54.6-162.7147.4-137.669.1000117.4
1600T29.6Very low32Very low122 Ų122124.9 Ų124.975%0.74873%0.732SS**  trans57.2111-172.250.70000115.2
1601T27Very low32.2Very low106 Ų106123.4 Ų123.465%0.6573%0.733SS**  cis55.3104.614.683.50000113.4
1602T29.6Very low32.8Very low134 Ų134122.1 Ų122.182%0.82273%0.732SS**  -160.7166.366.136.80000112.2
1603A41.1Very low33Very low95 Ų95122.4 Ų122.479%0.78574%0.741SS**  trans-66.7151.6170.500000111.7
1604P32.8Very low32.8Very low124 Ų124124 Ų12481%0.80574%0.735SS**  -144.8163.7101.540.8-28.1000115.7
1605L35.5Very low32.8Very low164 Ų164120.8 Ų120.886%0.85974%0.735SS**  trans-77.5177.6157.2-55.4111.7000110
1606P41.1Very low32.6Very low111 Ų111122.3 Ų122.372%0.72175%0.748SS**  -117.6178.8-59.838.3-26.7000110.6
1607P30.9Very low32.9Very low123 Ų123123.6 Ų123.680%0.79975%0.75SS**  trans-139.5147136.136-23.6000115.1
1608P33.7Very low32.9Very low120 Ų120122.2 Ų122.278%0.77975%0.753SS**  trans-90.6-166.617642.9-39.6000111.6
1609P32.7Very low32.8Very low105 Ų105120.8 Ų120.868%0.68275%0.754SS**  trans-82.1161.9-140.535-41.1000117.4S1611P1609-S1611 PolarHBondContact O-N 3.22Å
1610P38.9Very low32.7Very low131 Ų131121 Ų12185%0.85176%0.761SS**  trans-80.3109168.332.6-32.5000112.6
1611S30.6Very low32.7Very low104 Ų104118.7 Ų118.773%0.72775%0.753SS**  trans-82172.3161.4-63.10000110.5P1609P1609-S1611 PolarHBondContact O-N 3.22Å
1612P42.2Very low32.7Very low100 Ų100118.7 Ų118.765%0.64975%0.754SS**  trans-86.2163-15334.8-37.9000115.8T1614P1612-T1614 PolarHBondContact O-N 3.31Å; P1612-T1614 VanDerWaalsContact O-N 3.17Å
1613P34.7Very low32.6Very low134 Ų134120.1 Ų120.187%0.8775%0.753SS**  trans-74.79716431.5-32.5000110.7
1614T24.7Very low32.1Very low113 Ų113121.3 Ų121.369%0.69375%0.746SS**  trans-68.9140.3169.241.10000112.7P1612P1612-T1614 PolarHBondContact O-N 3.31Å; P1612-T1614 VanDerWaalsContact O-N 3.17Å
1615T29.7Very low32Very low116 Ų116120.2 Ų120.271%0.71274%0.737SS**  trans51.1109.2138.1-48.10000118.6
1616T26Very low31.7Very low142 Ų142117 Ų11787%0.87173%0.729SS**  -154.1142.4126.5-6.60000113.6
1617I39.2Very low31.1Very low135 Ų135118 Ų11869%0.69273%0.727SS**  trans-97.4137.1-176.7-53.7161.6000107.8T1619I1617-T1619 VanDerWaalsContact CG2-N 3.34Å; I1617-T1619 VanDerWaalsContact CG2-OG1 3.27Å; I1617-T1619 WeakPolarHBondContact CG2-OG1 3.23Å
1618P32.2Very low31.2Very low120 Ų120119.9 Ų119.978%0.77973%0.729SS**  -119.6123.6116.133-30.6000109.2
1619T26.1Very low31.1Very low101 Ų101118.4 Ų118.462%0.6272%0.719SS**  65.3131.854.6-42.90000111.2I1617I1617-T1619 VanDerWaalsContact CG2-N 3.34Å; I1617-T1619 VanDerWaalsContact CG2-OG1 3.27Å; I1617-T1619 WeakPolarHBondContact CG2-OG1 3.23Å
1620V27.7Very low30.8Very low142 Ų142120.2 Ų120.286%0.86172%0.723SS**  trans58.8144.1-178.2-90.60000115.4
1621A29.2Very low30.2Very low72 Ų72120.3 Ų120.360%0.59572%0.715SS**  cis-134.8147.38.500000112.5
1622T28.8Very low29.8Very low107 Ų107123.6 Ų123.666%0.65672%0.716SS**  trans45.9114.7137.553.80000117.8
1623M27.1Very low29Very low163 Ų163125.1 Ų125.180%0.80372%0.717SS**  62.213681.3-67.2172.3-177.800112.2
1624N29.4Very low28.5Very low121 Ų121126.3 Ų126.365%0.64771%0.71SS**  cis-164.4140.330.5-135.67.3000112.6
1625T30.9Very low28.5Very low100 Ų100125.8 Ų125.861%0.61371%0.711SS**  trans61.2154.9140.354.10000118.5L1627T1625-L1627 HydrophobicContact CG2-CD1 4.18Å; T1625-L1627 HydrophobicContact CG2-CG 4.4Å
1626S29.7Very low28.3Very low97 Ų97131.1 Ų131.168%0.67872%0.718SS**  cis-132.2140.522.1-620000109.5
1627L29Very low28.3Very low132 Ų132131.1 Ų131.169%0.69171%0.713SS**  48.1132.382.5-47.7168.9000111.5T1625T1625-L1627 HydrophobicContact CG2-CD1 4.18Å; T1625-L1627 HydrophobicContact CG2-CG 4.4Å
1628I32.2Very low27.7Very low163 Ų163131.7 Ų131.784%0.83672%0.715SS**  cis-130.7141.735.4-70.9170.3000111.5
1629P32.5Very low27.4Very low89 Ų89132.6 Ų132.658%0.57871%0.713SS**  trans-101.3-159.8179.135-22000111.5
1630N26.4Very low27.4Very low142 Ų142132.1 Ų132.176%0.75971%0.714SS**  trans88163139.1-122.7-12.3000119
1631I24.9Very low27.2Very low133 Ų133132 Ų13268%0.68271%0.707SS**  trans74.797.8152.5-70.3163.5000117.4
1632F23.5Very low27.2Very low173 Ų173133.8 Ų133.876%0.75972%0.715SS**  61.1138.5105.6-111.2-135.9000120
1633M24.3Very low27.1Very low132 Ų132134.9 Ų134.965%0.6571%0.713SS**  trans75.8115.5148.8-56.3-72.5-127.700120.2
1634H25Very low27.2Very low159 Ų159136 Ų13674%0.73671%0.709SS**  67.3168.7129.6-72.574.8000119.3
1635S24.4Very low27.3Very low103 Ų103136.6 Ų136.672%0.7271%0.712SS**  trans71.7110.9171.8-46.30000113.4
1636R25.1Very low27.3Very low227 Ų227135.3 Ų135.386%0.85771%0.708SS**  61.5142.664.2-65.6179.2171.9176.4-2.8113.3
1637N26.3Very low27.3Very low142 Ų142137.4 Ų137.476%0.75971%0.711SS**  trans73115.8158.9-70.613.6000114.9
1638M26.1Very low27.4Very low147 Ų147137.4 Ų137.472%0.72471%0.711SS**  89.812254-77.5-108.7-16700110.8
1639N26.1Very low27.3Very low139 Ų139135.5 Ų135.574%0.74370%0.702SS**  trans67.8166.5160.8-44.2-25.7000113.1
1640S25.8Very low27.3Very low91 Ų91136.7 Ų136.764%0.63670%0.703SS**  cis-151.8154.811.1-32.40000111.3
1641I25.1Very low27.7Very low140 Ų140136.1 Ų136.172%0.71870%0.7SS**  trans47.3109.5133.2-57.4163.2000115.4E1643I1641-E1643 HydrophobicContact CG2-CG 4.25Å
1642S28.9Very low27.8Very low110 Ų110136.2 Ų136.277%0.76970%0.702SS**  -172.9156.281.326.20000111
1643E26.9Very low28.1Very low130 Ų130136.7 Ų136.761%0.60770%0.704SS**  cis-169.4158.7-18.7-121178.7169.700108.4I1641I1641-E1643 HydrophobicContact CG2-CG 4.25Å
1644Y29.4Very low28.3Very low187 Ų187136.6 Ų136.673%0.73370%0.704SS**  trans61.2134.8167.7-61.3-64.5000119.2
1645N30.2Very low28.4Very low132 Ų132139.2 Ų139.271%0.70671%0.709SS**  cis-157.4149.7-14.9-151.27.8000114
1646S31.9Very low28.5Very low74 Ų74139.2 Ų139.252%0.51771%0.709SS.*  trans50.1103.2142.964.40000122.5
1647N29.4Very low28.6Very low141 Ų141134.5 Ų134.575%0.75470%0.697SS**  104.3113.6102-74.1-2.9000123.1
1648I30.1Very low28.6Very low132 Ų132131.2 Ų131.268%0.67769%0.685SS**  97.8111.2115.5-73.7173.2000120
1649N30.3Very low28.7Very low122 Ų122129.2 Ų129.265%0.65268%0.677SS**  trans71.7141.6144.1-68.537.9000120
1650D32.8Very low28.9Very low114 Ų114135.8 Ų135.861%0.6170%0.703SS**  cis-152.4147.21.5-111.1-33.1000112.6
1651N34.4Very low29.1Very low130 Ų130138 Ų13870%0.69571%0.707SS**  trans49.5111.1157.1-56.1-48.8000118.6
1652L28.4Very low29.3Very low135 Ų135137.9 Ų137.971%0.70771%0.706SS**  cis51.3140.649.5-81.586.5000114.3
1653F29.7Very low29.3Very low183 Ų183139.4 Ų139.480%0.80370%0.703SS**  cis-136165.432.9-114.3-86.1000115.8
1654I27.7Very low29.4Very low130 Ų130140 Ų14067%0.66771%0.708SS**  trans-106.2147.7175.2-61.1156.9000108.8
1655Y27.1Very low29.4Very low215 Ų215137.1 Ų137.184%0.84371%0.707SS**  172.8146.1123-107-79.4000115.5
1656S27.6Very low29.4Very low102 Ų102137.4 Ų137.471%0.71371%0.707SS**  trans-74149.4161-23.10000111.3
1657Q27.6Very low29.2Very low129 Ų129141.9 Ų141.960%0.60372%0.72SS**  -174.4167.7128.4-130.3168.71400112I77I77-Q1657 HydrophobicContact CD1-CB 3.69Å; I77-Q1657 HydrophobicContact CD1-CG 4.31Å; I77-Q1657 HydrophobicContact CG1-CB 4Å; I77-Q1657 HydrophobicContact CG1-CG 4.07Å; I77-Q1657 HydrophobicContact CG2-CG 4.45Å
1658S25.9Very low29.2Very low73 Ų73142 Ų14251%0.5172%0.718SS.*  trans-79.8161.7-164.654.20000116.6I77I77-S1658 WeakPolarHBondContact CD1-O 3.35Å; I77-S1658 WeakPolarHBondContact CG1-O 3.27Å
1659N27Very low29.1Very low104 Ų104142.8 Ų142.856%0.55672%0.721SS**  165.874.1121-82.72.1000113.3
1660Q31.2Very low29Very low277 Ų277144.7 Ų144.7100%1.29473%0.727SS**  trans-167.70132.7-110177.48.800110.5

Retrieved 1,660 of 1,660 residues in 1234.6 ms (Link to these results)