A0A5K4F0Y5_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0Y5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 599 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38Very low42.1Very low241 Ų241164.4 Ų164.4100%1.18782%0.818SS**  0114.10-61.9161.2176.200107.6
2E37.8Very low41.9Very low181 Ų181166.2 Ų166.285%0.84682%0.817SS**  cis-159.3148.5-18.7-157.1150.4-165.500108
3N36.6Very low41.5Very low148 Ų148168.4 Ų168.479%0.79181%0.813SS**  trans-78.6135.6179.7-79.82.9000110.5
4V48.5Very low41.5Very low132 Ų132164.4 Ų164.480%0.880%0.804SS**  trans-125.195.7155-177.50000107.9
5E42.2Very low41.5Very low127 Ų127162.4 Ų162.459%0.59380%0.797SS**  trans-92.7122.9176-173.6-171.7148.700108.5R7E5-R7 IonicContact OE1-CZ 3.47Å; E5-R7 IonicContact OE1-NE 2.83Å; E5-R7 PolarHBondContact OE1-NE 3.27Å; E5-R7 IonicContact OE1-NH2 2.72Å; E5-R7 PolarHBondContact OE1-NH2 2.85Å; E5-R7 IonicContact OE2-NH2 3.37Å
6L45.5Very low41.4Very low158 Ų158161.6 Ų161.683%0.82780%0.798SS**  trans-123.2106.2176.7-99.7166.9000110.7
7R41.1Very low41.1Very low191 Ų191156.6 Ų156.672%0.72179%0.788SS**  trans-84.4142.4177.2-57.1175.6-173.8164.45.3109.8E5E5-R7 IonicContact OE1-CZ 3.47Å; E5-R7 IonicContact OE1-NE 2.83Å; E5-R7 PolarHBondContact OE1-NE 3.27Å; E5-R7 IonicContact OE1-NH2 2.72Å; E5-R7 PolarHBondContact OE1-NH2 2.85Å; E5-R7 IonicContact OE2-NH2 3.37Å
8I46.9Very low40.9Very low172 Ų172158.4 Ų158.488%0.88279%0.793SS**  trans-124.4119.4164.3-61.9-179.1000107.3
9T41.5Very low40.8Very low121 Ų121158.3 Ų158.374%0.74279%0.794SS**  trans-98.8170.7-172.68.50000113.2
10D40Very low41.1Very low145 Ų145157.5 Ų157.578%0.77579%0.785SS**  trans-47.9147.7-174.1-59.7-98.3000117.1
11K45Very low41Very low192 Ų192154.6 Ų154.684%0.83578%0.778SS**  trans-135.586.6153-73.7-168.8177.2177.80111.2
12K40Very low41.4Very low186 Ų186149.2 Ų149.281%0.80975%0.754SS**  trans-80.4124.9161.4179.6-178.8179.1-178.70108.4V14K12-V14 HydrophobicContact CG-CG2 4.43Å
13Y37Very low41.7Very low195 Ų195148.2 Ų148.277%0.76575%0.749SS**  trans-110.6136.4170.3-107.1-93.4000110L15Y13-L15 HydrophobicContact CD1-CD1 4.31Å; Y13-L15 HydrophobicContact CD1-CG 4.5Å; Y13-L15 HydrophobicContact CE1-CD1 4.45Å
14V40.3Very low42.1Very low113 Ų113145.7 Ų145.769%0.68575%0.748SS**  trans-135.8121172.8175.90000106.9K12K12-V14 HydrophobicContact CG-CG2 4.43Å
15L42.2Very low42Very low134 Ų134147.5 Ų147.570%0.70275%0.748SS**  trans-157.4142.5174.4-69.4176.6000105.9Y13Y13-L15 HydrophobicContact CD1-CD1 4.31Å; Y13-L15 HydrophobicContact CD1-CG 4.5Å; Y13-L15 HydrophobicContact CE1-CD1 4.45Å
16D40.3Very low42Very low150 Ų150150.6 Ų150.680%0.80276%0.763SS**  cis-154.9165.8-25.2-140.6-33000107
17A35.8Very low41.7Very low76 Ų76146.2 Ų146.263%0.62876%0.756SS**  trans-129.4139.1-17600000112.6
18H38.4Very low41.9Very low189 Ų189145.9 Ų145.988%0.87576%0.763SS**  trans-180166.2147.6-101-61.8000112.5
19L39.1Very low42.2Very low157 Ų157142.5 Ų142.582%0.82275%0.749SS**  trans74.4131.3174.4-54.4168.7000116.3
20K45.2Very low42.2Very low142 Ų142143.6 Ų143.662%0.61775%0.751SS**  cis-165.3145-18.5-157.2175.7168.3-91.20109.2D22K20-D22 IonicContact NZ-OD1 2.7Å; K20-D22 PolarHBondContact NZ-OD1 3.47Å; K20-D22 IonicContact NZ-OD2 3.71Å; K20-D22 PolarHBondContact NZ-OD2 3.43Å
21P39.7Very low42.6Very low96 Ų96143.3 Ų143.362%0.62375%0.749SS**  trans-104154.9167.139.7-32.3000111.8
22D47.3Very low42.8Very low129 Ų129140.8 Ų140.869%0.6974%0.744SS**  trans-152.9152169.1-66.1-81.6000106.3K20K20-D22 IonicContact NZ-OD1 2.7Å; K20-D22 PolarHBondContact NZ-OD1 3.47Å; K20-D22 IonicContact NZ-OD2 3.71Å; K20-D22 PolarHBondContact NZ-OD2 3.43Å
23E43Very low43.1Very low160 Ų160136.4 Ų136.475%0.74874%0.737SS**  trans-125.1-175.1-137.8-48.8-59.7-29.500119.2
24A44.6Very low43.8Very low94 Ų94134 Ų13478%0.77774%0.737SS**  trans82.8161.5167.300000119.1
25E48Very low43.9Very low170 Ų170137 Ų13779%0.79474%0.744SS**  cis-157.4131.2-3.8-124.9169.8161.300107.5
26E40.5Very low44.2Very low193 Ų193138.8 Ų138.890%0.90275%0.749SS**  75154.296.8-62.2-156.6-17300120.1
27G41Very low45Very low66 Ų66138.5 Ų138.568%0.6875%0.747SS**  trans105.4112.4-177.300000114.1
28E44.6Very low45.5Very low184 Ų184141 Ų14186%0.8675%0.75SS**  68.1135.252.4-65.4-147.196.400114.7
29V52.6Low46.1Very low100 Ų100138.1 Ų138.161%0.60675%0.745SS**  cis-162.1170.7-7.6-100.90000110.9
30N42.8Very low46.5Very low145 Ų145134.9 Ų134.978%0.77574%0.736SS**  trans75.7144.6159-56.1-29.5000118.6
31D47.7Very low46.6Very low139 Ų139134.6 Ų134.674%0.74374%0.741SS**  cis135.3163.8-10.3-172.632.2000110.8
32L47.8Very low46.7Very low139 Ų139138.7 Ų138.773%0.72875%0.749SS**  trans79.2115.5-176.5-49.6-178.2000114.3
33S48.2Very low46.6Very low93 Ų93137.3 Ų137.365%0.6575%0.75SS**  86.2145.570.5-71.90000113.4
34D51.1Low46.6Very low145 Ų145134.9 Ų134.978%0.77575%0.75SS**  cis-167.5-167.5-15.2-102.1-45.6000108.1
35Q42.8Very low46.4Very low175 Ų175137.5 Ų137.582%0.81875%0.751SS**  trans78.2116.6164.1-159.2167.119.900116.1
36E48.8Very low46Very low173 Ų173134.9 Ų134.981%0.80875%0.752SS**  cis88.5109.330.4-59.9-155.5154.200116.9
37D56.3Low46Very low143 Ų143129.6 Ų129.677%0.76575%0.749SS**  trans-173.1141.1150-95.3-32000108.8
38N45.5Very low45.8Very low130 Ų130132.1 Ų132.170%0.69576%0.757SS**  cis84.313744-65.5-40.5000113.8
39V52.3Low45.6Very low128 Ų128129.2 Ų129.278%0.77676%0.757SS**  cis-166.4165.9-11.4-920000107.8
40S47.7Very low44.9Very low89 Ų89134.4 Ų134.462%0.62277%0.771SS**  cis-172.4146.3-20.454.10000111.3
41D46.6Very low44.7Very low135 Ų135133.2 Ų133.272%0.72277%0.774SS**  trans65.2164.1153.1-73.3-44.8000124.5
42F42.6Very low44.3Very low182 Ų182137.1 Ų137.180%0.79878%0.78SS**  trans76.7152.4160.3-52-65.4000120.7
43S43.4Very low43.8Very low100 Ų100138.3 Ų138.370%0.69979%0.787SS**  cis-171.3151.8-44.1-114.60000112.8
44S43.9Very low43Very low109 Ų109141.5 Ų141.576%0.76280%0.797SS**  trans66114.9145.3-64.40000123.9
45N40.1Very low42.6Very low149 Ų149140.6 Ų140.680%0.79780%0.802SS**  79.1121.9126.2-107.62000125.2
46S40.6Very low42.4Very low116 Ų116138 Ų13881%0.81180%0.803SS**  77.3152.4129.278.60000121.6
47G39.7Very low42.4Very low82 Ų82135.3 Ų135.385%0.84580%0.8SS**  trans140.3125.4167.900000114.3
48S37.5Very low41.9Very low119 Ų119138.3 Ų138.383%0.83281%0.807SS**  trans-131134.9174.3175.10000110.4
49S40.1Very low41.7Very low123 Ų123140.8 Ų140.886%0.8681%0.814SS**  trans-169.5157.7159-89.90000113.2
50K37.1Very low41.5Very low209 Ų209138 Ų13891%0.90981%0.81SS**  trans-97.5147.9168.2-62.3170.2179.1170.70109.7
51S39.6Very low41.5Very low120 Ų120139.9 Ų139.984%0.83981%0.814SS**  trans-156.5175.2146-157.80000111.7
52Y37.8Very low41.4Very low220 Ų220142.7 Ų142.786%0.86382%0.822SS**  trans-93.8154.2-170.5-67.9-104000112.8
53N38.3Very low41.4Very low165 Ų165139 Ų13988%0.88282%0.819SS**  trans-107.8130.8160.1-83.5-26.9000109.5
54N31.6Very low41.3Very low160 Ų160139.4 Ų139.486%0.85682%0.821SS**  trans-160.9112.7169.4-127.13.7000109.7
55S42.9Very low41.2Very low125 Ų125140.6 Ų140.687%0.87482%0.824SS**  trans-175.5125.2157.5-83.30000110.7
56S39.1Very low41.3Very low120 Ų120137.7 Ų137.784%0.83982%0.815SS**  trans-75.9161.4160.9-54.50000109.6
57P47.9Very low41.3Very low117 Ų117139.9 Ų139.976%0.7681%0.812SS**  -150.5166.6106.339.2-25.2000114.7
58K44.8Very low41.8Very low207 Ų207142.9 Ų142.990%0.981%0.806SS**  -155.2139129.8-82.2-139.3175-171.90110.5
59H42Very low42.2Very low182 Ų182142.1 Ų142.184%0.84380%0.801SS**  trans-111.7163.6164.7-128.5-72.9000107.1D61H59-D61 IonicContact ND1-OD2 2.72Å
60G47.8Very low42.8Very low68 Ų68143.6 Ų143.670%0.70179%0.794SS**  trans157.6104.3164.500000113.6
61D47.6Very low43.2Very low130 Ų130141.3 Ų141.370%0.69579%0.792SS**  trans-119.3127.5-179.6-49.3-65.5000109H59H59-D61 IonicContact ND1-OD2 2.72Å
62E44.9Very low43.2Very low194 Ų194139.5 Ų139.591%0.90779%0.792SS**  trans58.3130.9159.3-36.1-163.8142.300118.5
63S43.7Very low43.5Very low104 Ų104133 Ų13373%0.72779%0.791SS**  178.4130.868.8-1770000114.5
64C41.5Very low43.7Very low109 Ų109130.8 Ų130.874%0.73679%0.789SS**  trans58.6155.6141.3-65.70000127.1
65T41.5Very low44.3Very low134 Ų134128.2 Ų128.282%0.82278%0.784SS**  trans76.7143.1163.371.80000120.5
66S41.6Very low44.3Very low88 Ų88129.9 Ų129.962%0.61578%0.782SS**  cis-168.8132.6-39-116.70000111.7
67E41.3Very low44.4Very low161 Ų161129.4 Ų129.475%0.75278%0.779SS**  trans57169.8148.3-66.5151.5108.200118.3
68M49.3Very low44Very low145 Ų145130 Ų13071%0.71478%0.78SS**  cis-148.21350.9-153117.457.900107.1
69S46.2Very low43.5Very low104 Ų104127.9 Ų127.973%0.72778%0.778SS**  157.5110.393.8-178.20000106.5
70H51.7Low43.2Very low154 Ų154126.9 Ų126.971%0.71378%0.779SS**  86.113976.4-81.5-66.7000116.7
71N45.4Very low43.1Very low160 Ų160132.6 Ų132.686%0.85678%0.784SS**  trans71.5130.4174.3-54.1-24.2000117.1
72G41Very low43.3Very low83 Ų83132.4 Ų132.486%0.85679%0.79SS**  cis162129.4-8.500000112
73G44.1Very low42.9Very low82 Ų82127.8 Ų127.885%0.84578%0.779SS**  trans16868-176.900000114.9
74S42.1Very low43Very low119 Ų119129.7 Ų129.783%0.83278%0.78SS**  trans-80.8141.8-174.5-520000114
75S43.9Very low42.9Very low107 Ų107135.5 Ų135.575%0.74879%0.786SS**  trans-170.8109.3133.1-85.80000115.6
76L42.9Very low42.8Very low160 Ų160137.5 Ų137.584%0.83879%0.786SS**  trans69.1150.2133.3-57.3172.7000123
77S41.5Very low42.9Very low109 Ų109141 Ų14176%0.76280%0.796SS**  trans68.157.1158.541.50000120
78T38.8Very low42.8Very low129 Ų129143.3 Ų143.379%0.79180%0.798SS**  23.8113.9110.5-47.60000119
79L35.6Very low42.3Very low164 Ų164141.9 Ų141.986%0.85980%0.797SS**  trans55.6104.3141.7-129.479.7000120.3
80N35.2Very low42.2Very low160 Ų160144.7 Ų144.786%0.85680%0.798SS**  -158154113.3-140.7-27.4000113
81K46.3Very low41.8Very low189 Ų189146.9 Ų146.982%0.82281%0.806SS**  trans-101.6138.4176-78.4-177.5176.2177.60111.4S83K81-S83 PolarHBondContact O-N 2.71Å
82P50.8Low41.8Very low125 Ų125144.9 Ų144.981%0.81280%0.804SS**  trans-72.5100.2172.829-33.1000111.9I84P82-I84 PolarHBondContact O-N 2.65Å
83S37.4Very low42.1Very low97 Ų97150.2 Ų150.268%0.67880%0.804SS**  trans7.2101.6157.2-163.60000118.4K81K81-S83 PolarHBondContact O-N 2.71Å
84I45Very low41.9Very low145 Ų145152.5 Ų152.574%0.74480%0.804SS**  trans-86.7112.7158.4-62.3176.4000108.4P82 H86P82-I84 PolarHBondContact O-N 2.65Å; I84-H86 PolarHBondContact O-N 3.25Å
85R40.3Very low41.9Very low230 Ų230153 Ų15387%0.86880%0.802SS**  trans-85.793.2171.2-72.7-170.7176.5-166.8-0.4110.9I87R85-I87 PolarHBondContact O-N 2.97Å
86H39.1Very low41.7Very low177 Ų177157.1 Ų157.182%0.81981%0.806SS**PPolyproline II helixtrans-65.5116.9165.5-92.1-90.2000110.7I84I84-H86 PolarHBondContact O-N 3.25Å
87I44.1Very low41.5Very low162 Ų162157 Ų15783%0.83181%0.805SS**PPolyproline II helixtrans-82.2140.4165-65.1-179.5000109R85R85-I87 PolarHBondContact O-N 2.97Å
88R38.1Very low41.3Very low209 Ų209156.7 Ų156.779%0.78980%0.798SS**PPolyproline II helixtrans-77.1136.4-165.8-178173.3-71.3144.6-2.1112.7
89V39.7Very low41.1Very low114 Ų114158.5 Ų158.569%0.69180%0.798SS**PPolyproline II helixtrans-67.4132172.5175.80000110.8K91V89-K91 HydrophobicContact CG1-CG 4.18Å
90H44.4Very low41.2Very low163 Ų163157 Ų15776%0.75580%0.795SS**  trans-121.4118.9160.3-78.7-102.5000109.3
91K41.6Very low41.3Very low200 Ų200154.8 Ų154.887%0.8779%0.788SS**  trans-100.7118.3171.1-78.1-177.9174.8178.80109V89V89-K91 HydrophobicContact CG1-CG 4.18Å
92S45.3Very low40.9Very low118 Ų118151.9 Ų151.983%0.82579%0.786SS**  trans-111.6144.2169.8-62.60000109.9
93K47.6Very low40.2Very low196 Ų196151.7 Ų151.785%0.85278%0.782SS**  trans-86.9151.9-169.8-63.3175.9-177.5175.40111.9
94P39.7Very low40.3Very low130 Ų130151.9 Ų151.984%0.84478%0.783SS**  trans-75.2149.6172.332.7-35.2000111.5
95V43.7Very low40Very low130 Ų130152 Ų15279%0.78878%0.779SS**  trans-104.2126.1172.1173.90000109.1I97V95-I97 HydrophobicContact CG1-CG1 4.17Å
96K39.4Very low39.8Very low193 Ų193148.3 Ų148.384%0.83977%0.771SS**  trans-91.5149.5159.3-77.5-173.3172.1-171.20108.8
97I37Very low39.8Very low158 Ų158144 Ų14481%0.8176%0.761SS**  trans-126.2123.5162.2-60176.2000106.7V95V95-I97 HydrophobicContact CG1-CG1 4.17Å
98T38.6Very low39.3Very low102 Ų102142.8 Ų142.863%0.62676%0.756SS**  trans-154.8100.5178.4-48.40000109.6
99E33.5Very low39.4Very low167 Ų167139.2 Ų139.278%0.7876%0.758SS**  trans55.1159.4144.1-55.2-174.4127.600122.8
100T37.7Very low39.4Very low131 Ų131139.1 Ų139.180%0.80476%0.762SS**  trans69140.9162.428.90000117.6
101T37.3Very low39.4Very low115 Ų115136.8 Ų136.871%0.70676%0.762SS**  cis-158.51553.8-19.10000110.9
102V37.8Very low39.4Very low128 Ų128132.6 Ų132.678%0.77675%0.752SS**  trans54.2142136.8147.10000120.9
103V37.5Very low39.1Very low120 Ų120137 Ų13773%0.72775%0.752SS**  cis-171.3176-17.287.20000109.2
104S38Very low38.8Very low101 Ų101132.6 Ų132.671%0.70674%0.742SS**  trans71.6152.1164.3-83.60000119
105K39.2Very low38.8Very low149 Ų149135.6 Ų135.665%0.64874%0.742SS**  cis-171.6145.6-24.8-146.2169.7170.5-90.20108.7
106E36.4Very low38.7Very low151 Ų151133.1 Ų133.171%0.70673%0.731SS**  trans60.6154.2155.8-80.1152.2170.200119.2
107S38.3Very low38.7Very low88 Ų88130.7 Ų130.762%0.61573%0.727SS**  cis-164170.7-9.453.80000112.6
108N34.9Very low39Very low135 Ų135128.7 Ų128.772%0.72272%0.722SS**  trans80.7124.2142.6-72.6-34000124.5
109T39.5Very low38.9Very low135 Ų135135.5 Ų135.583%0.82874%0.736SS**  trans80.9126.1135.149.30000123.9
110S39.8Very low39.1Very low112 Ų112130.6 Ų130.678%0.78373%0.73SS**  trans-81.1177.4164.7-32.90000112.9
111P45.6Very low38.9Very low114 Ų114133 Ų13374%0.7473%0.732SS**  -140.6143.8105.220.90.7000115.3
112V41.2Very low38.7Very low111 Ų111134.6 Ų134.667%0.67374%0.735SS**  64.912298.3-168.50000113.7
113Y39Very low38.4Very low210 Ų210133.4 Ų133.482%0.82473%0.732SS**  -174.2157.186.5-89.2-89.8000108.5
114T40.8Very low38Very low105 Ų105132.6 Ų132.664%0.64473%0.732SS**  cis-160.7145.9-20.810.10000108.7
115K39.8Very low37.7Very low192 Ų192135.7 Ų135.784%0.83574%0.735SS**  44.2145.1105-73.8-159.9171.5-168.70119.8
116S41.7Very low37.4Very low79 Ų79135 Ų13555%0.55273%0.734SS**  cis-176.3168.4-19.358.30000113.7
117D40.4Very low37.1Very low141 Ų141133.8 Ų133.875%0.75473%0.732SS**  trans65.8163.2157.2-54.9-63.2000119
118V41.7Very low36.9Very low117 Ų117136.8 Ų136.871%0.70974%0.736SS**  cis-148143.216.1178.90000111.8
119R37.4Very low36.8Very low244 Ų244136.1 Ų136.192%0.92174%0.738SS**  trans57.4164.6165.9-99.381.2178.2-108.8-4.8117.9
120G37.4Very low36.8Very low64 Ų64135.8 Ų135.866%0.6674%0.736SS**  cis159.1116.5-15.800000117.6
121Q34.6Very low36.7Very low181 Ų181138.9 Ų138.985%0.84674%0.735SS**  trans76.5128.4140-92.3-168.91700123.9
122I31.4Very low36.3Very low150 Ų150139.7 Ų139.777%0.76973%0.732SS**  trans54.2129.2151.621.1172.1000124.3
123S31.6Very low36.3Very low102 Ų102142.3 Ų142.371%0.71374%0.737SS**  89.7148.2128.7-167.50000121.2
124S30.6Very low36Very low103 Ų103137 Ų13772%0.7273%0.731SS**  trans68.4104.7147.936.10000121.3
125H31.4Very low36Very low166 Ų166137.9 Ų137.977%0.76974%0.736SS**  88154.9117.9-143.3-125.1000120.1
126E32.1Very low35.7Very low136 Ų136133.8 Ų133.864%0.63673%0.727SS**  trans57.8108.7160.3-90.2174.1118.700123.3
127N30.7Very low35.4Very low124 Ų124137.3 Ų137.366%0.66374%0.74SS**  59.5134.8107.8-77-15.7000122.8
128Q34.1Very low34.9Very low151 Ų151135.5 Ų135.571%0.70674%0.737SS**  88.5124.4129.4-85.9-173.481.900122.3
129T31.6Very low34.4Very low122 Ų122134.5 Ų134.575%0.74874%0.74SS**  trans68.2143.5154.570.10000115.7
130T40Very low34Very low128 Ų128134.7 Ų134.779%0.78574%0.741SS**  cis-156.2171.64038.70000109.6
131K37.8Very low33.6Very low176 Ų176135.5 Ų135.577%0.76574%0.741SS**  cis-174.6172.4-25.6-178.6172.3178.6-179.90106.6
132L37.8Very low33.6Very low131 Ų131131.8 Ų131.869%0.68674%0.735SS**  trans81.3136.3172.1-44.7171.5000114.8
133Q39.5Very low33.7Very low166 Ų166131.5 Ų131.578%0.77674%0.736SS**  cis-152.8135.1-14.2-118166.8-16.100107.4
134S34.4Very low34Very low99 Ų99132 Ų13269%0.69274%0.736SS**  64.1129.2100.8-154.30000113.8
135V39.2Very low33.9Very low124 Ų124135.3 Ų135.375%0.75274%0.74SS**  cis-143.2129.326170.90000106.9
136V34.9Very low34Very low106 Ų106134.8 Ų134.864%0.64274%0.74SS**  73.189.455.7-176.10000115.3
137N35.6Very low33.9Very low153 Ų153132 Ų13282%0.81874%0.736SS**  trans177.3158.6131.6-92.6-26.4000110.8
138C30Very low33.8Very low103 Ų103134.2 Ų134.270%0.69674%0.742SS**  cis168.6117.7-47-98.10000108.8
139A31.1Very low33.7Very low95 Ų95136.5 Ų136.579%0.78575%0.753SS**  trans78.6149142.200000122.7
140R28Very low33.5Very low249 Ų249136.7 Ų136.794%0.9475%0.753SS**  trans75.8146.7153.2-124.3159-175157.11.9117.2
141A29.6Very low33Very low80 Ų80139.3 Ų139.366%0.66176%0.757SS**  cis175.6178.7-39.300000105.9
142S33.7Very low32.5Very low103 Ų103135.8 Ų135.872%0.7275%0.75SS**  trans68150.1174.7-70.90000115.4
143D33.1Very low32.3Very low145 Ų145138.5 Ų138.578%0.77576%0.757SS**  cis-154.4176.8-16.2-106-39.5000109
144P39.3Very low32Very low111 Ų111138.3 Ų138.372%0.72176%0.756SS**  trans-109.1-166.7-154.643.2-40.1000116.3
145Q28.9Very low31.8Very low174 Ų174140.1 Ų140.181%0.81376%0.763SS**  trans86.4120.3153.5-166.2177.223.600118.6
146M32.4Very low31.3Very low154 Ų154139.3 Ų139.376%0.75976%0.762SS**  -169.6161.8119.4-100.6-54.9-74.600113.2
147S30.6Very low31.2Very low79 Ų79141.4 Ų141.455%0.55277%0.767SS**  trans-29138.8-175-70.80000119
148E27.8Very low30.8Very low169 Ų169142.9 Ų142.979%0.7977%0.766SS**  cis85.9105.344.9-178.9-167.9-16700113.3
149Q33Very low30.9Very low199 Ų199141.8 Ų141.893%0.9377%0.765SS**  trans-153.7112.7142.7-129170.870.600108.5
150V26.5Very low31Very low126 Ų126147.5 Ų147.576%0.76477%0.772SS**  trans-119.5116.4174.2174.60000107
151E31.1Very low31.3Very low183 Ų183139.7 Ų139.786%0.85576%0.756SS**  trans-112.1137168.6-164.5166-134.400109.4
152T27Very low31.6Very low103 Ų103142.6 Ų142.663%0.63277%0.765SS**  trans-127.4117.2-158.1-540000111.5
153F33.4Very low31.9Very low188 Ų188146 Ų14683%0.82577%0.768SS**  trans-127.285.9173.9-87-77000114.1
154H33.6Very low32.1Very low162 Ų162146.7 Ų146.775%0.7577%0.766SS**  trans42.399.6138.2-95.2-99.7000121.6
155T29.2Very low31.9Very low136 Ų136148 Ų14883%0.83477%0.766SS**  7.6113.8123.5-51.60000119.3
156S29.4Very low32.5Very low107 Ų107144.1 Ų144.175%0.74875%0.748SS**  trans174138.5149.8175.90000110.3
157M31.7Very low32.6Very low150 Ų150139 Ų13974%0.73973%0.734SS**  cis-157.1141.4-17.5-100-132.9-58.100111
158F27.8Very low33Very low184 Ų184140.2 Ų140.281%0.80773%0.734SS**  trans53.5109.6144.5-75.9-104.6000124.4
159A31.1Very low33.8Very low81 Ų81139.4 Ų139.467%0.66972%0.723SS**  64.599.7116.300000122.4
160K33.6Very low34.6Very low214 Ų214133.5 Ų133.593%0.9370%0.698SS**  trans-165.4146.8139.4-88.3128.2-174175.40106.9
161S35.5Very low35.5Very low85 Ų85133 Ų13359%0.59469%0.691SS**  cis-147.8118.7-3.31750000109.8K163S161-K163 PolarHBondContact O-N 3.38Å
162T36.1Very low36.3Very low141 Ų141130.3 Ų130.387%0.86568%0.678SS**THydrogen-bonded Turntrans-75.75.1178.630.80000114.5
163K39.4Very low37.5Very low176 Ų176132.4 Ų132.477%0.76568%0.678SS**THydrogen-bonded Turntrans-81.7-17.2-170.9-61.8-169.7176.5-172.30115.3S161S161-K163 PolarHBondContact O-N 3.38Å
164H36.4Very low38.3Very low159 Ų159127.9 Ų127.974%0.73667%0.666SS**THydrogen-bonded Turntrans-72.9-33.1-175.6-164.3-18.4000113.3Q166H164-Q166 VanDerWaalsContact C-N 3.33Å; H164-Q166 PolarHBondContact O-N 2.91Å
165L36.2Very low39Very low139 Ų139125.6 Ų125.673%0.72866%0.656SS**THydrogen-bonded Turntrans-76.4-14.4-174.7-91.6164.6000114.7
166Q40.1Very low40Very low92 Ų92124.3 Ų124.343%0.4364%0.643SS.*THydrogen-bonded Turntrans-79-47-179.7-172.656.531.400111.8H164 L168 R169 D170H164-Q166 VanDerWaalsContact C-N 3.33Å; H164-Q166 PolarHBondContact O-N 2.91Å; Q166-L168 PolarHBondContact O-N 3.11Å; Q166-L168 VanDerWaalsContact O-N 3.08Å; Q166-R169 PolarHBondContact O-N 2.85Å; Q166-R169 VanDerWaalsContact OE1-NH2 3.16Å; Q166-D170 PolarHBondContact O-N 3.32Å
167G35.8Very low40.8Very low45 Ų45124.3 Ų124.346%0.46463%0.631SS.*Hα-helixtrans-63.4-17.6-176.300000115.5L171G167-L171 PolarHBondContact O-N 2.86Å
168L38.3Very low41.5Very low106 Ų106123.6 Ų123.656%0.55563%0.628SS**Hα-helixtrans-72.1-31.8172.6-77.5167.9000112.8Q166 E172Q166-L168 PolarHBondContact O-N 3.11Å; Q166-L168 VanDerWaalsContact O-N 3.08Å; L168-E172 PolarHBondContact O-N 3.17Å
169R45.4Very low42.4Very low151 Ų151121.2 Ų121.257%0.5762%0.619SS**Hα-helixtrans-82.9-24.1177.5-66.4-165.9-62.7-167.8-0.3113.1Q166 K173Q166-R169 PolarHBondContact O-N 2.85Å; Q166-R169 VanDerWaalsContact OE1-NH2 3.16Å; R169-K173 WeakPolarHBondContact O-CG 2.78Å; R169-K173 PolarHBondContact O-N 3.34Å
170D48.9Very low43.1Very low76 Ų76123.7 Ų123.741%0.40662%0.621SS.*Hα-helixtrans-74.4-33.5173.7-58.9-40.5000110.8Q166 K173 V174Q166-D170 PolarHBondContact O-N 3.32Å; D170-K173 PolarHBondContact O-N 3.19Å; D170-V174 WeakPolarHBondContact O-CG2 3.25Å; D170-V174 PolarHBondContact O-N 2.97Å
171L45.5Very low43.5Very low115 Ų115120.4 Ų120.460%0.60261%0.608SS**Hα-helixtrans-67.1-42.3173.6-157.174.6000112.6G167 K173 V174 Q175G167-L171 PolarHBondContact O-N 2.86Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.26Å; L171-V174 PolarHBondContact O-N 3.39Å; L171-Q175 PolarHBondContact O-N 3.11Å
172E48.3Very low43.5Very low126 Ų126123.4 Ų123.459%0.58962%0.618SS**Hα-helixtrans-60.7-38.8174.7-174.2173.3-141.200111.8L168 Q175 L176L168-E172 PolarHBondContact O-N 3.17Å; E172-Q175 PolarHBondContact O-N 3.11Å; E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.08Å
173K51.6Low43.3Very low147 Ų147124.2 Ų124.264%0.63961%0.612SS**Hα-helixtrans-67.1-42.7173.2-78.1-176173-170.40113.5R169 D170 L171 Q175 L176 Q177R169-K173 WeakPolarHBondContact O-CG 2.78Å; R169-K173 PolarHBondContact O-N 3.34Å; D170-K173 PolarHBondContact O-N 3.19Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.26Å; K173-Q175 VanDerWaalsContact C-N 3.28Å; K173-Q175 PolarHBondContact O-N 2.92Å; K173-L176 PolarHBondContact O-N 3.5Å; K173-Q177 WeakPolarHBondContact O-CB 3.49Å; K173-Q177 PolarHBondContact O-N 2.72Å
174V50.5Low43Very low94 Ų94124.9 Ų124.957%0.5762%0.617SS**Hα-helixtrans-62.5-38.3176.1169.70000110.8D170 L171 Q177 M178D170-V174 WeakPolarHBondContact O-CG2 3.25Å; D170-V174 PolarHBondContact O-N 2.97Å; L171-V174 PolarHBondContact O-N 3.39Å; V174-Q177 PolarHBondContact O-N 3.06Å; V174-M178 WeakPolarHBondContact O-CB 3.15Å; V174-M178 PolarHBondContact O-N 3.19Å
175Q48.3Very low42.6Very low114 Ų114122.6 Ų122.653%0.53362%0.619SS.*Hα-helixtrans-68.5-40.3177.2-168.2161-1200112.3L171 E172 K173 M178 Q179L171-Q175 PolarHBondContact O-N 3.11Å; E172-Q175 PolarHBondContact O-N 3.11Å; K173-Q175 VanDerWaalsContact C-N 3.28Å; K173-Q175 PolarHBondContact O-N 2.92Å; Q175-M178 PolarHBondContact O-N 2.83Å; Q175-Q179 PolarHBondContact O-N 3.03Å; Q175-Q179 VanDerWaalsContact O-N 3.1Å
176L49.7Very low42.5Very low108 Ų108125.3 Ų125.357%0.56563%0.628SS**Hα-helixtrans-67.7-34.9173.6-73.5170.1000113.4E172 K173 Q179 L180E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.08Å; K173-L176 PolarHBondContact O-N 3.5Å; L176-Q179 PolarHBondContact O-N 3.34Å; L176-L180 PolarHBondContact O-N 2.95Å
177Q47.7Very low42.1Very low107 Ų107127.2 Ų127.250%0.565%0.646SS.*Hα-helixtrans-61.8-48.8173-177.566.237.800110.8K173 V174 Q179 L180 E181K173-Q177 WeakPolarHBondContact O-CB 3.49Å; K173-Q177 PolarHBondContact O-N 2.72Å; V174-Q177 PolarHBondContact O-N 3.06Å; Q177-Q179 PolarHBondContact O-N 2.9Å; Q177-L180 PolarHBondContact O-N 3.34Å; Q177-E181 PolarHBondContact NE2-OE2 2.75Å; Q177-E181 PolarHBondContact O-N 2.85Å; Q177-E181 VanDerWaalsContact O-N 3.14Å
178M46.1Very low42Very low135 Ų135130.6 Ų130.667%0.66566%0.66SS**Hα-helixtrans-67.1-19.3178.7-163.9169.466.600113.2V174 Q175V174-M178 WeakPolarHBondContact O-CB 3.15Å; V174-M178 PolarHBondContact O-N 3.19Å; Q175-M178 PolarHBondContact O-N 2.83Å
179Q46.1Very low41.6Very low135 Ų135132 Ų13263%0.63167%0.673SS**Hα-helixtrans-79.2-20.3171.3-130.275.763.500113.4Q175 L176 Q177Q175-Q179 PolarHBondContact O-N 3.03Å; Q175-Q179 VanDerWaalsContact O-N 3.1Å; L176-Q179 PolarHBondContact O-N 3.34Å; Q177-Q179 PolarHBondContact O-N 2.9Å
180L46.9Very low41.1Very low133 Ų133130 Ų13070%0.69668%0.68SS**Hα-helixtrans-100.5-23.8-177.3-80.9166.1000114L176 Q177 N182L176-L180 PolarHBondContact O-N 2.95Å; Q177-L180 PolarHBondContact O-N 3.34Å; L180-N182 VanDerWaalsContact C-N 3.25Å; L180-N182 PolarHBondContact O-N 2.85Å
181E40.3Very low40.3Very low144 Ų144137.1 Ų137.167%0.67370%0.702SS**THydrogen-bonded Turntrans-77.4-4.6177.6-105168.99700114.5Q177Q177-E181 PolarHBondContact NE2-OE2 2.75Å; Q177-E181 PolarHBondContact O-N 2.85Å; Q177-E181 VanDerWaalsContact O-N 3.14Å
182N36Very low39.7Very low149 Ų149137.7 Ų137.780%0.79771%0.713SS**THydrogen-bonded Turntrans-92-0.9-175.9-142.534.5000114L180L180-N182 VanDerWaalsContact C-N 3.25Å; L180-N182 PolarHBondContact O-N 2.85Å
183E31.7Very low39.1Very low158 Ų158137.3 Ų137.374%0.73872%0.724SS**SBendtrans-117.1109.9169.3-73.1-80.6131.500107.5
184H32.9Very low38Very low189 Ų189140.4 Ų140.488%0.87574%0.738SS**  trans162.3154.5149.5-93.284.1000112.3
185S28.3Very low37.2Very low111 Ų111141.4 Ų141.478%0.77675%0.749SS**  trans60.790.4165.159.50000118.8
186H35.4Very low36.4Very low196 Ų196144.6 Ų144.691%0.90776%0.764SS**  trans-68.2143.3139.6-76-68.7000110.1
187T30.4Very low35.5Very low133 Ų133144.4 Ų144.482%0.81677%0.772SS**  trans-69.9173174.635.30000112.8
188P33.7Very low34.8Very low116 Ų116145.5 Ų145.575%0.75379%0.786SS**  cis-133.5169.211.839.8-22.3000117.3
189T31.1Very low34.2Very low135 Ų135147.1 Ų147.183%0.82879%0.791SS**  trans-98.6157.2160.346.60000111.4
190P34.4Very low33.5Very low110 Ų110149.1 Ų149.171%0.71480%0.801SS**  -142.8143.7126.824.9-5.2000115.6
191Y30.6Very low32.9Very low225 Ų225147.6 Ų147.688%0.88280%0.801SS**  trans36.8120.6152.3-70.6-84.5000122.3
192P33.9Very low32.7Very low127 Ų127147.4 Ų147.483%0.82581%0.81SS**  trans-84.8143.9153.235-30.7000111.7
193S34.9Very low32.7Very low118 Ų118148 Ų14883%0.82581%0.812SS**  trans-141.9147.6165.6-171.20000110.4
194F29.4Very low33.1Very low211 Ų211146.3 Ų146.393%0.92582%0.815SS**  trans-68.9132.1176-91.3-124.9000111.1
195S33.9Very low33.2Very low116 Ų116140.7 Ų140.781%0.81181%0.808SS**  -167.1177.7110.9-154.90000112
196Q32Very low33.5Very low180 Ų180144.7 Ų144.784%0.84181%0.811SS**  trans-83168.8-163.5-58.6165-30.200115.1
197S30Very low34.1Very low104 Ų104141.3 Ų141.373%0.72781%0.805SS**  trans105105.4131.9-155.70000120.2
198V33.7Very low34.7Very low131 Ų131141.2 Ų141.279%0.79481%0.806SS**  trans82.6142.6135.8170.50000120.1
199H32.3Very low34.7Very low168 Ų168139.6 Ų139.678%0.77881%0.811SS**  trans-82158.7179.1-73.4-136.8000112.7
200Q32.3Very low35Very low177 Ų177137 Ų13783%0.82781%0.811SS**  trans48.7106.1135.4-170.9173.784.200116.3
201S33.1Very low35Very low102 Ų102138 Ų13871%0.71382%0.815SS**  176-175.354.340.70000112.8
202V36.1Very low35.5Very low140 Ų140136 Ų13685%0.84881%0.814SS**  trans94.1136166.3-170.10000116.3
203L35.6Very low35.5Very low161 Ų161139.2 Ų139.284%0.84382%0.815SS**  trans-117.4-175.4-172.6-76.9166.6000109.1
204P41.1Very low35.4Very low123 Ų123142 Ų14280%0.79982%0.819SS**  cis-130.2-178.1-40.133.6-16.3000112.4
205G35.8Very low35.5Very low71 Ų71135.8 Ų135.873%0.73281%0.807SS**  trans-178119.7163.700000117.1
206F34.4Very low35.6Very low194 Ų194139.5 Ų139.585%0.85181%0.812SS**  trans23.2116.9159.8-85.6-107.2000120.3
207V46.9Very low35.4Very low126 Ų126139 Ų13976%0.76481%0.814SS**  77.4131.852.9179.80000112.8
208P43.1Very low35.5Very low131 Ų131139.3 Ų139.385%0.85182%0.817SS**  trans-132.6-171.2-13444.9-29.8000115.8
209G34.2Very low35.2Very low82 Ų82139 Ų13985%0.84582%0.815SS**  trans147.4149.8157.300000114.9
210G37.5Very low35.2Very low81 Ų81139.4 Ų139.484%0.83582%0.817SS**  trans149.486173.500000114.5
211T34.9Very low34.9Very low131 Ų131139 Ų13980%0.80482%0.817SS**  trans-82.9152.8167.947.40000111.1
212Q40.4Very low34.9Very low182 Ų182141.2 Ų141.285%0.8583%0.826SS**  -174.8157.8120.8-96.1-59.5-2.700110.4
213K33.2Very low34.6Very low194 Ų194138.5 Ų138.584%0.84382%0.819SS**  trans-123.3116.7-173.5-179.9-174.2179.1-176.20110.2
214L32.7Very low34.5Very low177 Ų177137 Ų13793%0.92782%0.821SS**  trans-114.4155.2174.3-161.360.9000111.1
215A31.6Very low34Very low80 Ų80137.8 Ų137.866%0.66182%0.824SS**  trans-94.9160.5-170.800000113.1
216Q36.2Very low33.9Very low195 Ų195144 Ų14491%0.91183%0.831SS**  -172.6157.8115.6-101.3168.7-16.200112.1
217N28.7Very low33.6Very low168 Ų168138.8 Ų138.890%0.89882%0.823SS**  trans-87133.3167.8-84.1-48.3000109.6
218S31.7Very low32.9Very low112 Ų112139.6 Ų139.678%0.78383%0.828SS**  trans-171.4134.3132-159.10000114.1
219V28.5Very low32.5Very low123 Ų123138.7 Ų138.775%0.74583%0.825SS**  trans-1.6122.8152.7-170.40000119.7
220Q31.9Very low32.3Very low178 Ų178143 Ų14383%0.83282%0.823SS**  -178.4125.4121.6-95.1179.513.200108.7
221M26.3Very low32.1Very low167 Ų167146.2 Ų146.282%0.82382%0.821SS**  64.69277.2-73.6-73.2-76.500115.7
222V32.4Very low31.9Very low149 Ų149146.2 Ų146.290%0.90382%0.821SS**  trans-148.4142.7140.1173.20000107.9
223A29.9Very low31.6Very low84 Ų84144.5 Ų144.569%0.69482%0.817SS**  trans-107.5166.1178.300000112.6
224S33.4Very low31.4Very low128 Ų128138.4 Ų138.490%0.89581%0.81SS**  trans-152.2101.2158.3-83.10000111.1
225V30.5Very low31.4Very low141 Ų141136.1 Ų136.186%0.85580%0.799SS**  trans-93.3137.3165.1175.10000108
226K33.3Very low31.4Very low202 Ų202139.6 Ų139.688%0.87881%0.806SS**  trans-139.884.5168.2-159.8171.5-174.4177.20107.8
227A29.3Very low31.2Very low84 Ų84140.5 Ų140.569%0.69480%0.801SS**  68.597.385.100000111.8
228V32.1Very low31.2Very low143 Ų143143.1 Ų143.187%0.86781%0.805SS**  trans-118.2126.6160.8173.30000105.7
229S34.4Very low31.1Very low112 Ų112141.1 Ų141.178%0.78380%0.802SS**  trans-79.3135.2177.8-166.60000109.8
230E29Very low31.1Very low171 Ų171144.3 Ų144.380%0.79981%0.814SS**  trans-64.7150.4153.6-63.2-176.612500109.1
231N33.1Very low31Very low150 Ų150141 Ų14180%0.80281%0.811SS**  trans-14197.3162.3-173.710.5000108.1N233N231-N233 PolarHBondContact O-N 2.89Å
232V32Very low31.2Very low131 Ų131136 Ų13679%0.79480%0.802SS**  trans-78.7105.9176.6179.20000108.2
233N34.1Very low31Very low145 Ų145134.1 Ų134.178%0.77580%0.795SS**  trans-129.3108.9160.7-164.439.8000109N231N231-N233 PolarHBondContact O-N 2.89Å
234G29.1Very low31.2Very low67 Ų67141.2 Ų141.269%0.69180%0.804SS**  trans-84.3130.2178.400000110.8
235D32.2Very low31.1Very low129 Ų129143.9 Ų143.969%0.6980%0.803SS**  trans-149.8145157.4-159.36.4000110.9R237D235-R237 PolarHBondContact O-N 3.15Å; D235-R237 IonicContact OD2-NH2 3.37Å; D235-R237 PolarHBondContact OD2-NH2 3.43Å
236N32.2Very low31.6Very low152 Ų152143.4 Ų143.481%0.81380%0.8SS**  trans-80.3114.8-175.6-82.4-63.4000111
237R31.5Very low31.5Very low215 Ų215138.1 Ų138.181%0.81179%0.794SS**  trans-158.9137.3154.5-118.3159-69.4-169.75113.7D235 G239D235-R237 PolarHBondContact O-N 3.15Å; D235-R237 IonicContact OD2-NH2 3.37Å; D235-R237 PolarHBondContact OD2-NH2 3.43Å; R237-G239 PolarHBondContact O-N 2.97Å
238F28.2Very low31.9Very low222 Ų222140 Ų14097%0.97480%0.796SS**  trans-65.6122.9176.1-76.2-107.3000110.5
239G28.7Very low32.5Very low70 Ų70137.3 Ų137.372%0.72278%0.782SS**  trans-147.5112.5176.500000111.8R237 S241R237-G239 PolarHBondContact O-N 2.97Å; G239-S241 PolarHBondContact O-N 3.07Å; G239-S241 VanDerWaalsContact O-N 3.14Å
240L30.5Very low32.8Very low190 Ų190137 Ų137100%0.99578%0.777SS**  trans-80.689.3179.2-67.5171.6000110.7
241S29.7Very low33.5Very low110 Ų110134.7 Ų134.777%0.76978%0.78SS**  trans-144.357174.2-159.70000112.8G239 S243G239-S241 PolarHBondContact O-N 3.07Å; G239-S241 VanDerWaalsContact O-N 3.14Å; S241-S243 VanDerWaalsContact C-N 3.32Å; S241-S243 PolarHBondContact O-N 3.1Å; S241-S243 VanDerWaalsContact O-N 3.13Å
242G28.6Very low34Very low62 Ų62132.4 Ų132.464%0.63978%0.776SS**  trans-83.664.6176.600000113W244G242-W244 VanDerWaalsContact C-N 3.3Å; G242-W244 PolarHBondContact O-N 2.97Å
243S28.9Very low34.5Very low109 Ų109128.8 Ų128.876%0.76276%0.759SS**  trans-75.483.2172.2-167.80000110.1S241 Q245S241-S243 VanDerWaalsContact C-N 3.32Å; S241-S243 PolarHBondContact O-N 3.1Å; S241-S243 VanDerWaalsContact O-N 3.13Å; S243-Q245 PolarHBondContact O-N 2.94Å
244W34.6Very low35.2Very low233 Ų233130.4 Ų130.488%0.88377%0.767SS**  trans-68.6103.1175.4-7197.8000109.8G242 V246G242-W244 VanDerWaalsContact C-N 3.3Å; G242-W244 PolarHBondContact O-N 2.97Å; W244-V246 PolarHBondContact O-N 3.28Å
245Q31.6Very low36.3Very low184 Ų184128.9 Ų128.986%0.8675%0.751SS**  trans-56.2124.7168.5-73.1179-20.700108.9S243 A247S243-Q245 PolarHBondContact O-N 2.94Å; Q245-A247 PolarHBondContact O-N 2.98Å
246V39.6Very low37.9Very low131 Ų131125 Ų12579%0.79473%0.734SS**  trans-65.3110.9175.7177.90000107.4W244 V248W244-V246 PolarHBondContact O-N 3.28Å; V246-V248 PolarHBondContact O-N 3.39Å
247A33Very low39.6Very low91 Ų91123.4 Ų123.475%0.75272%0.722SS**  trans-60.4109.4173.500000108.6Q245Q245-A247 PolarHBondContact O-N 2.98Å
248V37.9Very low41.5Very low122 Ų122120.4 Ų120.474%0.73972%0.717SS**PPolyproline II helixtrans-58.6125.6178.1-179.90000107.7V246V246-V248 PolarHBondContact O-N 3.39Å
249P43Very low43.2Very low88 Ų88111 Ų11157%0.57168%0.676SS**PPolyproline II helixtrans-61.9141.5179.126.6-34.4000109.4S251P249-S251 PolarHBondContact O-N 3.34Å; P249-S251 VanDerWaalsContact O-N 3.1Å
250P41.2Very low44.8Very low106 Ų106110.5 Ų110.569%0.68866%0.656SS**PPolyproline II helixtrans-62.5118.5-179.225.1-33.5000110S252P250-S252 PolarHBondContact O-N 3.09Å
251S43.4Very low46.8Very low122 Ų122106.4 Ų106.485%0.85363%0.632SS**THydrogen-bonded Turntrans-68.932-178.4-44.20000114.2P249P249-S251 PolarHBondContact O-N 3.34Å; P249-S251 VanDerWaalsContact O-N 3.1Å
252S44.6Very low48.8Very low102 Ų102106.5 Ų106.571%0.71362%0.618SS**THydrogen-bonded Turntrans-130.56-171.6-46.70000112.6P250 L254P250-S252 PolarHBondContact O-N 3.09Å; S252-L254 PolarHBondContact O-N 3.08Å
253A43Very low50.6Low54 Ų54106.5 Ų106.545%0.44660%0.602SS.*  trans-69.8113.2172.500000110G255A253-G255 VanDerWaalsContact C-N 3.26Å; A253-G255 PolarHBondContact O-N 3.41Å
254L46.9Very low53Low180 Ų180106.1 Ų106.194%0.94259%0.588SS**  trans-7276.3178.5-79.9158.4000111.8S252S252-L254 PolarHBondContact O-N 3.08Å
255G53.2Low55.3Low34 Ų34100.4 Ų100.435%0.35157%0.573SS.*SBendtrans-142166.3166.500000109.4A253A253-G255 VanDerWaalsContact C-N 3.26Å; A253-G255 PolarHBondContact O-N 3.41Å
256S66Low57Low47 Ų4796.6 Ų96.633%0.32956%0.556SS.*  trans-65.9152.1173.8650000111Q258 E259 I260S256-Q258 PolarHBondContact O-N 3.47Å; S256-Q258 VanDerWaalsContact O-N 3.14Å; S256-E259 VanDerWaalsContact CB-OE2 3.28Å; S256-E259 WeakPolarHBondContact CB-OE2 3.5Å; S256-E259 PolarHBondContact N-OE2 3.41Å; S256-E259 WeakPolarHBondContact O-CA 3.47Å; S256-E259 WeakPolarHBondContact O-CB 3.38Å; S256-E259 PolarHBondContact O-N 3.26Å; S256-E259 WeakPolarHBondContact OG-CG 3.36Å; S256-E259 PolarHBondContact OG-N 3.29Å; S256-E259 PolarHBondContact OG-OE2 3.49Å; S256-I260 PolarHBondContact O-N 2.91Å; S256-I260 VanDerWaalsContact O-N 3.08Å
257Q66.8Low58.7Low120 Ų12096.2 Ų96.256%0.56154%0.542SS*.Hα-helixtrans-50.5-39.5174177.962.118.900111.7E259 I260 E261Q257-E259 PolarHBondContact O-N 2.97Å; Q257-I260 PolarHBondContact O-N 3.31Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.35Å; Q257-E261 PolarHBondContact NE2-OE1 3.32Å; Q257-E261 WeakPolarHBondContact O-CB 3.38Å; Q257-E261 VanDerWaalsContact O-CG 3.32Å; Q257-E261 WeakPolarHBondContact O-CG 3.46Å; Q257-E261 PolarHBondContact O-N 3.4Å
258Q72Confident60.9Low152 Ų15297.1 Ų97.171%0.7153%0.53SS*.Hα-helixtrans-63.7-34.5175.9-65.3-178.3-7.500113.4S256 K262S256-Q258 PolarHBondContact O-N 3.47Å; S256-Q258 VanDerWaalsContact O-N 3.14Å; Q258-K262 WeakPolarHBondContact O-CB 3.26Å; Q258-K262 PolarHBondContact O-N 2.92Å
259E63.6Low63Low24 Ų2497.5 Ų97.511%0.11252%0.522CS..Hα-helixtrans-72.7-37.8175-74.2160.8123.700111.6S256 Q257 K262 M263 P397 N398S256-E259 VanDerWaalsContact CB-OE2 3.28Å; S256-E259 WeakPolarHBondContact CB-OE2 3.5Å; S256-E259 PolarHBondContact N-OE2 3.41Å; S256-E259 WeakPolarHBondContact O-CA 3.47Å; S256-E259 WeakPolarHBondContact O-CB 3.38Å; S256-E259 PolarHBondContact O-N 3.26Å; S256-E259 WeakPolarHBondContact OG-CG 3.36Å; S256-E259 PolarHBondContact OG-N 3.29Å; S256-E259 PolarHBondContact OG-OE2 3.49Å; Q257-E259 PolarHBondContact O-N 2.97Å; E259-K262 PolarHBondContact O-N 3.35Å; E259-M263 WeakPolarHBondContact O-CB 3.3Å; E259-M263 WeakPolarHBondContact O-CG 3.17Å; E259-M263 PolarHBondContact O-N 3.14Å; E259-P397 WeakPolarHBondContact OE1-CB 3.18Å; E259-P397 VanDerWaalsContact OE1-CG 3.31Å; E259-P397 WeakPolarHBondContact OE1-CG 3.43Å; E259-N398 PolarHBondContact OE1-N 3.15Å; E259-N398 VanDerWaalsContact OE1-N 3.11Å; E259-N398 PolarHBondContact OE1-ND2 3.37Å; E259-N398 PolarHBondContact OE1-OD1 2.86Å; E259-N398 PolarHBondContact OE2-ND2 2.95Å
260I61.8Low64.2Low59 Ų5995.6 Ų95.630%0.30351%0.513SS..Hα-helixtrans-63.8-48.5174-61.5173.7000110.1S256 Q257 K262 M263 H264S256-I260 PolarHBondContact O-N 2.91Å; S256-I260 VanDerWaalsContact O-N 3.08Å; Q257-I260 PolarHBondContact O-N 3.31Å; I260-K262 PolarHBondContact O-N 3.04Å; I260-M263 PolarHBondContact O-N 2.77Å; I260-H264 WeakPolarHBondContact O-CB 3.46Å; I260-H264 PolarHBondContact O-N 2.81Å
261E73.5Confident65.7Low104 Ų10492.5 Ų92.549%0.48649%0.494SS..Hα-helixtrans-60.6-41.5175-73.7167.7-178.500112.2Q257 H264 M265Q257-E261 WeakPolarHBondContact CG-OE1 3.35Å; Q257-E261 PolarHBondContact NE2-OE1 3.32Å; Q257-E261 WeakPolarHBondContact O-CB 3.38Å; Q257-E261 VanDerWaalsContact O-CG 3.32Å; Q257-E261 WeakPolarHBondContact O-CG 3.46Å; Q257-E261 PolarHBondContact O-N 3.4Å; E261-H264 PolarHBondContact O-N 3.37Å; E261-M265 WeakPolarHBondContact O-CB 3.16Å; E261-M265 PolarHBondContact O-N 3.35Å
262K72.6Confident67.4Low113 Ų11393 Ų9349%0.49148%0.482SS..Hα-helixtrans-65.9-41.3176.5-177.5-179.9177.6-173.80112.1Q258 E259 I260 M266Q258-K262 WeakPolarHBondContact O-CB 3.26Å; Q258-K262 PolarHBondContact O-N 2.92Å; E259-K262 PolarHBondContact O-N 3.35Å; I260-K262 PolarHBondContact O-N 3.04Å; K262-M266 HydrophobicContact CG-CE 4.4Å; K262-M266 VanDerWaalsContact O-CG 3.31Å; K262-M266 WeakPolarHBondContact O-CG 3.39Å; K262-M266 PolarHBondContact O-N 3.45Å
263M65.8Low68.8Low61 Ų6193.2 Ų93.230%0.348%0.475SS..Hα-helixtrans-65.8-41.3172.4-72.8-161.8-59.500111.7E259 I260 M266 Y267E259-M263 WeakPolarHBondContact O-CB 3.3Å; E259-M263 WeakPolarHBondContact O-CG 3.17Å; E259-M263 PolarHBondContact O-N 3.14Å; I260-M263 PolarHBondContact O-N 2.77Å; M263-M266 HydrophobicContact CG-CE 4.1Å; M263-M266 PolarHBondContact O-N 2.83Å; M263-Y267 WeakPolarHBondContact O-CB 3.27Å; M263-Y267 PolarHBondContact O-N 3.14Å
264H79Confident70.1Confident101 Ų10195 Ų9547%0.46847%0.471SS..Hα-helixtrans-62.4-44.4176.1-171.183.9000111.9I260 E261 M266 Y267 Q268I260-H264 WeakPolarHBondContact O-CB 3.46Å; I260-H264 PolarHBondContact O-N 2.81Å; E261-H264 PolarHBondContact O-N 3.37Å; H264-M266 PolarHBondContact O-N 3.28Å; H264-Y267 WeakPolarHBondContact O-CB 3.46Å; H264-Y267 PolarHBondContact O-N 3.4Å; H264-Q268 PolarHBondContact CD2-NE2 2.88Å; H264-Q268 PolarHBondContact NE2-NE2 3.02Å; H264-Q268 WeakPolarHBondContact O-CG 3.44Å; H264-Q268 PolarHBondContact O-N 3.16Å
265M82.1Confident71.5Confident113 Ų11392.8 Ų92.856%0.55746%0.456SS*.Hα-helixtrans-60.7-41.5173172.1175.746.100112.1E261 K269E261-M265 WeakPolarHBondContact O-CB 3.16Å; E261-M265 PolarHBondContact O-N 3.35Å; M265-K269 VanDerWaalsContact O-CB 3.27Å; M265-K269 WeakPolarHBondContact O-CB 3.48Å; M265-K269 PolarHBondContact O-N 2.99Å
266M68.2Low72.5Confident105 Ų10599.9 Ų99.952%0.51747%0.472SS..Hα-helixtrans-64.8-40.2175-73.3-173-59.700111.9K262 M263 H264 K269 A270K262-M266 HydrophobicContact CG-CE 4.4Å; K262-M266 VanDerWaalsContact O-CG 3.31Å; K262-M266 WeakPolarHBondContact O-CG 3.39Å; K262-M266 PolarHBondContact O-N 3.45Å; M263-M266 HydrophobicContact CG-CE 4.1Å; M263-M266 PolarHBondContact O-N 2.83Å; H264-M266 PolarHBondContact O-N 3.28Å; M266-K269 PolarHBondContact O-N 3.13Å; M266-A270 WeakPolarHBondContact O-CB 3.44Å; M266-A270 PolarHBondContact O-N 3.39Å
267Y75.4Confident72.5Confident123 Ų12398.7 Ų98.748%0.48247%0.465SS..Hα-helixtrans-63.5-50.6174.4175.1-101.7000112.1M263 H264 K269 A270 C271 Y376M263-Y267 WeakPolarHBondContact O-CB 3.27Å; M263-Y267 PolarHBondContact O-N 3.14Å; H264-Y267 WeakPolarHBondContact O-CB 3.46Å; H264-Y267 PolarHBondContact O-N 3.4Å; Y267-K269 VanDerWaalsContact C-N 3.27Å; Y267-K269 PolarHBondContact O-N 2.94Å; Y267-A270 PolarHBondContact O-N 3.06Å; Y267-A270 VanDerWaalsContact O-N 3.14Å; Y267-C271 PolarHBondContact O-N 2.85Å; Y267-C271 PolarHBondContact O-SG 2.87Å; Y267-C271 VanDerWaalsContact O-SG 3.41Å; Y267-Y376 HydrophobicContact CD2-CE1 4.46Å
268Q80.1Confident72.6Confident109 Ų10995.7 Ų95.751%0.50946%0.455SS..Hα-helixtrans-53.8-45.2174.4-73.8-172.7300111.5H264 C271 Q272H264-Q268 PolarHBondContact CD2-NE2 2.88Å; H264-Q268 PolarHBondContact NE2-NE2 3.02Å; H264-Q268 WeakPolarHBondContact O-CG 3.44Å; H264-Q268 PolarHBondContact O-N 3.16Å; Q268-C271 PolarHBondContact O-N 2.88Å; Q268-Q272 WeakPolarHBondContact O-CB 3.32Å; Q268-Q272 PolarHBondContact O-N 2.83Å
269K80.7Confident72.3Confident131 Ų13190.9 Ų90.957%0.5744%0.441SS*.Hα-helixtrans-67.2-37.2179.5-169.2170.8-176173.20112.6M265 M266 Y267 Q272 L273M265-K269 VanDerWaalsContact O-CB 3.27Å; M265-K269 WeakPolarHBondContact O-CB 3.48Å; M265-K269 PolarHBondContact O-N 2.99Å; M266-K269 PolarHBondContact O-N 3.13Å; Y267-K269 VanDerWaalsContact C-N 3.27Å; Y267-K269 PolarHBondContact O-N 2.94Å; K269-Q272 PolarHBondContact O-N 3.1Å; K269-L273 HydrophobicContact CG-CD1 4.43Å; K269-L273 WeakPolarHBondContact O-CB 3.24Å; K269-L273 VanDerWaalsContact O-CG 3.28Å; K269-L273 WeakPolarHBondContact O-CG 3.48Å; K269-L273 PolarHBondContact O-N 3.18Å
270A67.6Low72.4Confident47 Ų4794 Ų9439%0.38846%0.462SS..Hα-helixtrans-64.2-45.7173.100000111.5M266 Y267 Q272 L273 Y274M266-A270 WeakPolarHBondContact O-CB 3.44Å; M266-A270 PolarHBondContact O-N 3.39Å; Y267-A270 PolarHBondContact O-N 3.06Å; Y267-A270 VanDerWaalsContact O-N 3.14Å; A270-Q272 PolarHBondContact O-N 3.34Å; A270-L273 PolarHBondContact O-N 3.45Å; A270-Y274 WeakPolarHBondContact O-CB 3.34Å; A270-Y274 PolarHBondContact O-N 2.75Å
271C73.4Confident72.1Confident42 Ų4295.3 Ų95.328%0.28447%0.469SS..Hα-helixtrans-61.1-41.7174.6-69.10000112.2Y267 Q268 Y274 Q275Y267-C271 PolarHBondContact O-N 2.85Å; Y267-C271 PolarHBondContact O-SG 2.87Å; Y267-C271 VanDerWaalsContact O-SG 3.41Å; Q268-C271 PolarHBondContact O-N 2.88Å; C271-Y274 PolarHBondContact O-N 3.47Å; C271-Q275 WeakPolarHBondContact O-CB 3.38Å; C271-Q275 WeakPolarHBondContact O-CG 3.48Å; C271-Q275 PolarHBondContact O-N 2.94Å
272Q79.5Confident71.2Confident131 Ų13193.6 Ų93.661%0.61248%0.479SS*.Hα-helixtrans-65.1-41.1175.9-172.9-175.77200112.2Q268 K269 A270 R276Q268-Q272 WeakPolarHBondContact O-CB 3.32Å; Q268-Q272 PolarHBondContact O-N 2.83Å; K269-Q272 PolarHBondContact O-N 3.1Å; A270-Q272 PolarHBondContact O-N 3.34Å; Q272-R276 VanDerWaalsContact O-CB 3.29Å; Q272-R276 WeakPolarHBondContact O-CB 3.28Å; Q272-R276 PolarHBondContact O-N 3.3Å
273L73Confident70.1Confident107 Ų10792.3 Ų92.356%0.5648%0.484SS*.Hα-helixtrans-64.1-40.9174.5-74.9168.6000111.7K269 A270 R276 A277K269-L273 HydrophobicContact CG-CD1 4.43Å; K269-L273 WeakPolarHBondContact O-CB 3.24Å; K269-L273 VanDerWaalsContact O-CG 3.28Å; K269-L273 WeakPolarHBondContact O-CG 3.48Å; K269-L273 PolarHBondContact O-N 3.18Å; A270-L273 PolarHBondContact O-N 3.45Å; L273-R276 PolarHBondContact O-N 3.04Å; L273-A277 WeakPolarHBondContact O-CB 3.4Å; L273-A277 PolarHBondContact O-N 3.48Å
274Y70.6Confident68.8Low91 Ų9194.7 Ų94.736%0.35750%0.502SS..Hα-helixtrans-63-50175.1-177.6-96.5000111.9A270 C271 R276 A277 V278 Q369A270-Y274 WeakPolarHBondContact O-CB 3.34Å; A270-Y274 PolarHBondContact O-N 2.75Å; C271-Y274 PolarHBondContact O-N 3.47Å; Y274-R276 VanDerWaalsContact C-N 3.3Å; Y274-R276 PolarHBondContact O-N 3.26Å; Y274-A277 PolarHBondContact O-N 3.22Å; Y274-A277 VanDerWaalsContact O-N 3.15Å; Y274-V278 HydrophobicContact CD1-CG2 4.23Å; Y274-V278 HydrophobicContact CE1-CG2 3.77Å; Y274-V278 HydrophobicContact CE2-CG2 4.35Å; Y274-V278 WeakPolarHBondContact O-CG2 3.45Å; Y274-V278 PolarHBondContact O-N 3.24Å; Y274-Q369 WeakPolarHBondContact OH-CG 3.42Å; Y274-Q369 PolarHBondContact OH-NE2 3Å; Y274-Q369 VanDerWaalsContact OH-NE2 3.08Å
275Q76.5Confident67Low134 Ų13495.3 Ų95.363%0.62652%0.515SS*.Hα-helixtrans-58.6-41.2175.3-72.8175.17.500111.8C271 V278 A279C271-Q275 WeakPolarHBondContact O-CB 3.38Å; C271-Q275 WeakPolarHBondContact O-CG 3.48Å; C271-Q275 PolarHBondContact O-N 2.94Å; Q275-V278 PolarHBondContact O-N 3.16Å; Q275-A279 VanDerWaalsContact O-CB 3.24Å; Q275-A279 WeakPolarHBondContact O-CB 3.42Å; Q275-A279 PolarHBondContact O-N 3.35Å
276R74.2Confident64.7Low184 Ų18497 Ų9769%0.69453%0.527SS*.Hα-helixtrans-64-40.4175.8-174176.9-178.8125.53.2112.1Q272 L273 Y274 T280Q272-R276 VanDerWaalsContact O-CB 3.29Å; Q272-R276 WeakPolarHBondContact O-CB 3.28Å; Q272-R276 PolarHBondContact O-N 3.3Å; L273-R276 PolarHBondContact O-N 3.04Å; Y274-R276 VanDerWaalsContact C-N 3.3Å; Y274-R276 PolarHBondContact O-N 3.26Å; R276-T280 WeakPolarHBondContact O-CB 3.3Å; R276-T280 PolarHBondContact O-N 2.65Å; R276-T280 PolarHBondContact O-OG1 3.29Å
277A66.9Low63.1Low22 Ų2297.8 Ų97.818%0.18254%0.537CS..Hα-helixtrans-64.2-49.417600000111.4L273 Y274 A279 T280 I281 I359L273-A277 WeakPolarHBondContact O-CB 3.4Å; L273-A277 PolarHBondContact O-N 3.48Å; Y274-A277 PolarHBondContact O-N 3.22Å; Y274-A277 VanDerWaalsContact O-N 3.15Å; A277-A279 PolarHBondContact O-N 2.94Å; A277-T280 PolarHBondContact O-N 2.72Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3.15Å; A277-I359 HydrophobicContact CB-CD1 3.58Å
278V67.9Low60.9Low56 Ų5697 Ų9734%0.33955%0.549SS..Hα-helixtrans-59.2-45.1176.5173.80000111.2Y274 Q275 T280 I281 G282Y274-V278 HydrophobicContact CD1-CG2 4.23Å; Y274-V278 HydrophobicContact CE1-CG2 3.77Å; Y274-V278 HydrophobicContact CE2-CG2 4.35Å; Y274-V278 WeakPolarHBondContact O-CG2 3.45Å; Y274-V278 PolarHBondContact O-N 3.24Å; Q275-V278 PolarHBondContact O-N 3.16Å; V278-T280 VanDerWaalsContact C-N 3.35Å; V278-T280 PolarHBondContact O-N 3.33Å; V278-I281 PolarHBondContact O-N 2.9Å; V278-G282 PolarHBondContact O-N 3.37Å
279A67Low58.7Low52 Ų5298.8 Ų98.843%0.4356%0.561SS.*Hα-helixtrans-64.1-37.2176.800000112.7Q275 A277 G282 S283Q275-A279 VanDerWaalsContact O-CB 3.24Å; Q275-A279 WeakPolarHBondContact O-CB 3.42Å; Q275-A279 PolarHBondContact O-N 3.35Å; A277-A279 PolarHBondContact O-N 2.94Å; A279-G282 PolarHBondContact O-N 2.91Å; A279-S283 VanDerWaalsContact O-CB 3.23Å; A279-S283 WeakPolarHBondContact O-CB 3.46Å; A279-S283 PolarHBondContact O-N 3.23Å; A279-S283 VanDerWaalsContact O-N 3.13Å; A279-S283 PolarHBondContact O-OG 2.66Å
280T63.7Low56.4Low88 Ų88100.1 Ų100.154%0.5457%0.569SS.*Hα-helixtrans-64.9-42.5176.5-55.50000111R276 A277 V278 G282 S283R276-T280 WeakPolarHBondContact O-CB 3.3Å; R276-T280 PolarHBondContact O-N 2.65Å; R276-T280 PolarHBondContact O-OG1 3.29Å; A277-T280 PolarHBondContact O-N 2.72Å; V278-T280 VanDerWaalsContact C-N 3.35Å; V278-T280 PolarHBondContact O-N 3.33Å; T280-G282 VanDerWaalsContact C-N 3.34Å; T280-S283 PolarHBondContact O-N 3.49Å
281I57.5Low54.9Low87 Ų87102.4 Ų102.445%0.44658%0.58SS.*Hα-helixtrans-66.3-36.8175.7-64.2162.8000111.1A277 V278 S283A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3.15Å; V278-I281 PolarHBondContact O-N 2.9Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 2.77Å
282G53.9Low53.1Low68 Ų68105.6 Ų105.670%0.70160%0.6SS**THydrogen-bonded Turntrans-79-4.6178.500000116.1V278 A279 T280V278-G282 PolarHBondContact O-N 3.37Å; A279-G282 PolarHBondContact O-N 2.91Å; T280-G282 VanDerWaalsContact C-N 3.34Å
283S49.7Very low51.4Low87 Ų87105.1 Ų105.161%0.60861%0.609SS**THydrogen-bonded Turntrans-116.714.6-170.1-56.30000115.1A279 T280 I281 P285A279-S283 VanDerWaalsContact O-CB 3.23Å; A279-S283 WeakPolarHBondContact O-CB 3.46Å; A279-S283 PolarHBondContact O-N 3.23Å; A279-S283 VanDerWaalsContact O-N 3.13Å; A279-S283 PolarHBondContact O-OG 2.66Å; T280-S283 PolarHBondContact O-N 3.49Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 2.77Å; S283-P285 WeakPolarHBondContact O-CD 3.08Å
284T38.8Very low49.7Very low110 Ų110109.6 Ų109.668%0.67562%0.624SS**  trans-97.296.1172.752.10000111.2
285P40.6Very low47.9Very low115 Ų115108.7 Ų108.775%0.74764%0.642SS**  trans-72.2130.617330.2-34.4000110.9S283 V287S283-P285 WeakPolarHBondContact O-CD 3.08Å; P285-V287 PolarHBondContact O-N 2.94Å
286N32.6Very low46Very low148 Ų148107.9 Ų107.979%0.79165%0.647SS**  trans44.372.6152.2-166.813.1000117.1
287V35.9Very low44.1Very low122 Ų122105.4 Ų105.474%0.73965%0.654SS**  trans-91.7111.2150.7-179.30000107.3P285 I289P285-V287 PolarHBondContact O-N 2.94Å; V287-I289 VanDerWaalsContact C-N 3.32Å; V287-I289 HydrophobicContact CG1-CG1 3.97Å; V287-I289 PolarHBondContact O-N 2.81Å
288S28.5Very low42.7Very low105 Ų105112 Ų11273%0.73469%0.685SS**  trans-71.785.2176.8-172.10000110.5Q290S288-Q290 PolarHBondContact O-N 2.95Å; S288-Q290 VanDerWaalsContact O-N 3.15Å
289I34.3Very low41.2Very low147 Ų147113.1 Ų113.175%0.75471%0.707SS**  trans-80.392169.5-56.5-177.7000107.3V287V287-I289 VanDerWaalsContact C-N 3.32Å; V287-I289 HydrophobicContact CG1-CG1 3.97Å; V287-I289 PolarHBondContact O-N 2.81Å
290Q32.2Very low40Very low160 Ų160116 Ų11675%0.74872%0.724SS**PPolyproline II helixtrans-52.2130.6171.8-176.5179.71.700109.9S288S288-Q290 PolarHBondContact O-N 2.95Å; S288-Q290 VanDerWaalsContact O-N 3.15Å
291P35.6Very low39Very low94 Ų94117.4 Ų117.461%0.6174%0.735SS**PPolyproline II helixtrans-62.2140.6174.726.7-33.9000109.6
292P36.5Very low38.3Very low109 Ų109119.1 Ų119.171%0.70875%0.752SS**PPolyproline II helixtrans-59.4140.4177.725.8-33.9000109.9F294P292-F294 PolarHBondContact O-N 2.89Å
293P43.6Very low38.1Very low122 Ų122122 Ų12279%0.79276%0.758SS**PPolyproline II helixtrans-61.1131.7-17825.1-33.7000110.4G295P293-G295 PolarHBondContact O-N 2.85Å
294F36.3Very low37.6Very low201 Ų201126 Ų12688%0.88277%0.769SS**  trans-60.8108.9179.2-81.8-95.5000110.6P292 T296P292-F294 PolarHBondContact O-N 2.89Å; F294-T296 PolarHBondContact O-N 2.92Å
295G33.5Very low37.5Very low71 Ų71125.2 Ų125.273%0.73277%0.768SS**  trans-62.4128.3167.200000110.1P293P293-G295 PolarHBondContact O-N 2.85Å
296T37.3Very low37.2Very low118 Ų118127.4 Ų127.472%0.72477%0.773SS**  trans-70.4140.1-175.441.60000112.2F294 I298F294-T296 PolarHBondContact O-N 2.92Å; T296-I298 PolarHBondContact O-N 2.82Å
297P33.7Very low37.4Very low131 Ų131131.6 Ų131.685%0.85178%0.778SS**  trans-80.1106.4179.231.3-33.1000110.8
298I38.7Very low37.6Very low161 Ų161130.8 Ų130.883%0.82678%0.777SS**  trans-130.2105.1171-55.9-178.1000108.6T296T296-I298 PolarHBondContact O-N 2.82Å
299G35.5Very low38Very low79 Ų79135.1 Ų135.181%0.81478%0.783SS**  trans-165.743.4-172.300000113.1
300S41Very low39.1Very low113 Ų113134.1 Ų134.179%0.7979%0.786SS**  trans-131.9148.4179.7-62.30000110.5
301P42.6Very low39.8Very low118 Ų118131.6 Ų131.677%0.76678%0.784SS**PPolyproline II helixtrans-78.6160.1-163.731.1-36.9000114.7
302P43.3Very low40.2Very low123 Ų123133.1 Ų133.180%0.79979%0.792SS**PPolyproline II helixtrans-77.8134.8-176.430.8-35000113.3
303P50.4Low40.3Very low128 Ų128135 Ų13583%0.83180%0.795SS**PPolyproline II helixtrans-79.4164.8163.934.2-33.9000111.6
304M38.4Very low40.6Very low170 Ų170136.8 Ų136.884%0.83779%0.794SS**PPolyproline II helixtrans-94161.5-169.8-61.1164.961.500114.2
305S36.4Very low41.2Very low94 Ų94132 Ų13266%0.65778%0.784SS**  trans82.4114.2140.3-76.70000122.2
306L35Very low41.4Very low161 Ų161134.7 Ų134.784%0.84379%0.786SS**  109.6138128.1-71163.3000121
307R37.5Very low41.7Very low237 Ų237136 Ų13689%0.89479%0.794SS**  trans68146.1170.3-64.3178.1174.4-177.8-2.7116.9
308S39.5Very low41.8Very low104 Ų104134.5 Ų134.573%0.72779%0.792SS**  cis-165.8150.5-24.745.20000109.4
309F37.9Very low42Very low196 Ų196133.2 Ų133.286%0.8679%0.792SS**  trans-63.6159.4-177.8-61.1-85.6000114.4
310P55.5Low42.2Very low127 Ų127137.6 Ų137.683%0.82579%0.791SS**  -140.9152.196.439-27.7000115.8
311P48Very low42.3Very low106 Ų106143.6 Ų143.669%0.68880%0.796SS**  trans-111.5166163.739.6-31000112.7
312T43Very low42.3Very low127 Ų127143.3 Ų143.378%0.77980%0.795SS**  trans172.7118.2142.4-79.50000114
313L40Very low42.6Very low148 Ų148142 Ų14278%0.77579%0.794SS**  trans41.8117.3140.8-52.4179.9000122
314M50.1Low42.1Very low159 Ų159141.1 Ų141.178%0.78379%0.791SS**  95.2172.582-70.9-73.5108.100113.8
315P48.2Very low42.3Very low102 Ų102139.3 Ų139.366%0.66279%0.789SS**  -143.8-170.5-82.345.9-26000117.1
316V38.6Very low42.3Very low127 Ų127139.8 Ų139.877%0.7779%0.793SS**  trans65118.8156.5176.80000120.7
317T42Very low42.6Very low146 Ų146138.1 Ų138.190%0.89679%0.791SS**  -169.3170.7123.913.50000110.7
318A37Very low42.5Very low98 Ų98131.8 Ų131.881%0.8178%0.783SS**  trans-138.3160.4-16800000114.4
319V42.7Very low42.6Very low135 Ų135135.2 Ų135.282%0.81879%0.785SS**  trans176.1107.3158.2141.70000105.6
320E39.5Very low42.5Very low170 Ų170133.6 Ų133.679%0.79478%0.778SS**  79.311075.5-159.4-142.3131.100115.5
321R42.9Very low41.6Very low239 Ų239133.9 Ų133.990%0.90277%0.771SS**  trans-173.2127143.8-169.9173.7-178.690.1-0.5112.2
322P43.3Very low41.2Very low113 Ų113134.1 Ų134.173%0.73477%0.773SS**  trans-121.8158.6176.339.5-29.7000116.2
323A48.9Very low40.7Very low95 Ų95132.3 Ų132.379%0.78577%0.771SS**  trans-163.1136.3163.100000108
324S39.8Very low40.5Very low110 Ų110130.2 Ų130.277%0.76977%0.769SS**  cis72.7100.323.7-1500000112.7
325V41.8Very low39.8Very low131 Ų131131.5 Ų131.579%0.79477%0.772SS**  173.3152.384.9153.50000106.9
326S36.8Very low39Very low105 Ų105133.9 Ų133.973%0.73478%0.779SS**  cis-167.1167.5-20.6-84.70000109.5
327P41.1Very low39Very low125 Ų125133 Ų13381%0.81278%0.776SS**  trans-110172.1-164.840.6-36.2000118.2
328S36.3Very low38.7Very low105 Ų105133.2 Ų133.273%0.73477%0.767SS**  trans109.4152140.8-155.40000121.9
329K41Very low38.4Very low175 Ų175134.6 Ų134.676%0.76176%0.76SS**  trans82.1150.1164.8-50.1-176.9-174.51760119.2
330F36Very low38.1Very low163 Ų163134.1 Ų134.172%0.71576%0.757SS**  cis-162.5138-11.5-115.3-152.6000107.8
331I37.1Very low37.6Very low132 Ų132133 Ų13368%0.67776%0.756SS**  68.7136.791.7-65.5-179.4000115.8
332P39.2Very low37.3Very low112 Ų112131.9 Ų131.973%0.72775%0.752SS**  cis-151.2-180-28.845.3-24.4000118.6
333A33.4Very low36.8Very low89 Ų89132.2 Ų132.274%0.73675%0.747SS**  trans47.7159.7136.600000127.9
334S35.4Very low36.2Very low104 Ų104133.9 Ų133.973%0.72775%0.748SS**  trans84.2146.1162.8-63.80000119.4
335Q35.2Very low36Very low185 Ų185133.7 Ų133.786%0.86474%0.743SS**  cis-160.3165.1-10.1-115.2164.5-42.100110.9
336L32Very low35.2Very low152 Ų152134.7 Ų134.780%0.79674%0.744SS**  trans-102.8158.3173.9-144.190000111.1
337P36.8Very low34.9Very low109 Ų109138.2 Ų138.271%0.70875%0.749SS**  -157.3164.297.441.3-22.4000118.6
338H35.9Very low34.2Very low151 Ų151136.9 Ų136.970%0.69974%0.742SS**  trans20.2152.1133.2-63.8-95.1000122.1
339D32.2Very low33.8Very low127 Ų127139.5 Ų139.568%0.67975%0.746SS**  cis-167.1172.53.4-129.7-41.9000113.6
340V35.1Very low33.2Very low124 Ų124134.9 Ų134.975%0.75275%0.748SS**  trans59.8148.2148.2161.90000120.2
341L30Very low32.9Very low148 Ų148136 Ų13678%0.77576%0.755SS**  cis-175.2171-24.1-173.863.6000107.8
342R35.3Very low32.6Very low215 Ų215135.5 Ų135.581%0.81175%0.754SS**  trans79.7144.1162-80.6-158.3145.6158.62.8118.6
343D32.7Very low32.4Very low120 Ų120135.5 Ų135.564%0.64275%0.754SS**  cis-161.8-179.8-13.2-142.1-42.5000111.1
344V36.9Very low32.5Very low130 Ų130139 Ų13979%0.78876%0.755SS**  trans78.6141.7165.3174.50000117.9
345P34.9Very low32.5Very low105 Ų105141.4 Ų141.468%0.68276%0.759SS**  trans-121.5157.6-157.941.3-28000116.6
346N26.9Very low32.2Very low152 Ų152137.3 Ų137.381%0.81376%0.757SS**  trans174.4127.3137.4-101-59.9000110.4
347Q30.3Very low32.1Very low180 Ų180133.6 Ų133.684%0.84175%0.748SS**  trans155.8139.3138.5-87.4174.559.400114.9
348C26.1Very low32.2Very low97 Ų97135.8 Ų135.866%0.65575%0.752SS**  trans56116.4139.7-59.90000123.3
349I27.7Very low32.5Very low159 Ų159133.6 Ų133.682%0.81574%0.744SS**  55.678.4125.7-49.4165.3000116
350G28.9Very low33Very low78 Ų78132.3 Ų132.380%0.80474%0.743SS**  trans-104.3129.1162.600000111.7
351Q29.7Very low33.1Very low187 Ų187133.4 Ų133.487%0.87475%0.745SS**  trans-80.3138.1-177.2-62.7173.2-4.200112
352N30Very low33.7Very low121 Ų121133.9 Ų133.965%0.64774%0.743SS**  trans-128.697.4167.1-171.9-25.6000109.9H354N352-H354 VanDerWaalsContact C-N 3.32Å; N352-H354 PolarHBondContact O-N 3.36Å; N352-H354 PolarHBondContact OD1-N 2.76Å
353P34.3Very low33.6Very low112 Ų112125.6 Ų125.673%0.72772%0.72SS**  trans-79.9-7-174.431.1-35000114.2L355P353-L355 PolarHBondContact O-N 2.97Å
354H36.4Very low34.4Very low163 Ų163129.3 Ų129.376%0.75573%0.734SS**THydrogen-bonded Turntrans-93.413.3-161.5-146.2-60.7000115.6N352N352-H354 VanDerWaalsContact C-N 3.32Å; N352-H354 PolarHBondContact O-N 3.36Å; N352-H354 PolarHBondContact OD1-N 2.76Å
355L34.1Very low35.1Very low154 Ų154125.3 Ų125.381%0.80671%0.712SS**THydrogen-bonded Turntrans-1070.5173.9-77171.6000114.1P353 A357P353-L355 PolarHBondContact O-N 2.97Å; L355-A357 PolarHBondContact O-N 2.76Å
356A29.8Very low36.3Very low100 Ų100123.8 Ų123.883%0.82671%0.708SS**  trans-93.966.4176.100000111.6
357A31Very low38.2Very low74 Ų74119.9 Ų119.961%0.61269%0.693SS**  trans-131.6147.4177.900000111.5L355L355-A357 PolarHBondContact O-N 2.76Å
358I38.1Very low39.9Very low155 Ų155114 Ų11480%0.79567%0.666SS**  trans69.860.6-172.3-38.1173.7000113.2
359I42.5Very low42Very low104 Ų104113.6 Ų113.653%0.53366%0.655SS.*SBendtrans-115.4129.3144.1-62.8177.5000105.8A277 N361A277-I359 HydrophobicContact CB-CD1 3.58Å; I359-N361 PolarHBondContact O-N 2.83Å
360P42Very low44.4Very low100 Ų100109.5 Ų109.565%0.64964%0.637SS**  trans-61.3129.6-179.8-24.534.9000112H362P360-H362 PolarHBondContact O-N 3.48Å
361N36.6Very low46.6Very low147 Ų147106.1 Ų106.179%0.78660%0.601SS**SBendtrans-83.848.6-168.4-152.515000113.4I359I359-N361 PolarHBondContact O-N 2.83Å
362H42.6Very low49.1Very low158 Ų158102 Ų10273%0.73158%0.579SS**  trans-129.938.2179.2-87.9-80.4000111.9P360 Q364 I368P360-H362 PolarHBondContact O-N 3.48Å; H362-Q364 PolarHBondContact O-N 3.45Å; H362-Q364 VanDerWaalsContact O-N 3.11Å; H362-I368 VanDerWaalsContact O-CD1 3.24Å; H362-I368 WeakPolarHBondContact O-CD1 3.18Å
363A34.5Very low51.4Low42 Ų4299.4 Ų99.435%0.34757%0.57SS.*THydrogen-bonded Turntrans-77.791.9176.900000111.5
364Q48.7Very low53.7Low198 Ų19898 Ų9893%0.92555%0.554SS**THydrogen-bonded Turntrans-157-13.1166.7-126.6158.7101.200118.2H362H362-Q364 PolarHBondContact O-N 3.45Å; H362-Q364 VanDerWaalsContact O-N 3.11Å
365S52.9Low56.1Low46 Ų4690.2 Ų90.232%0.32252%0.518SS..  trans-102.4144173.178.10000112.6S367 I368S365-S367 WeakPolarHBondContact CB-OG 3.45Å; S365-S367 PolarHBondContact O-N 2.96Å; S365-S367 PolarHBondContact OG-OG 3.13Å; S365-I368 PolarHBondContact O-N 2.75Å; S365-I368 WeakPolarHBondContact OG-CD1 3.5Å; S365-I368 VanDerWaalsContact OG-CG1 3.29Å; S365-I368 WeakPolarHBondContact OG-CG1 3.48Å; S365-I368 PolarHBondContact OG-N 3.32Å
366A58.3Low58.6Low73 Ų7385.7 Ų85.760%0.60349%0.491SS*.Hα-helixtrans-62.9-31.2171.300000111.9I368 Q369 T370A366-I368 VanDerWaalsContact C-N 3.29Å; A366-I368 PolarHBondContact O-N 3.28Å; A366-Q369 PolarHBondContact O-N 3.39Å; A366-Q369 VanDerWaalsContact O-N 3.09Å; A366-T370 PolarHBondContact O-N 3.37Å; A366-T370 PolarHBondContact O-OG1 2.7Å
367S66.7Low61.2Low70 Ų7083.5 Ų83.549%0.4947%0.47SS..Hα-helixtrans-60.5-33.2178.555.40000113.6S365 A371S365-S367 WeakPolarHBondContact CB-OG 3.45Å; S365-S367 PolarHBondContact O-N 2.96Å; S365-S367 PolarHBondContact OG-OG 3.13Å; S367-A371 WeakPolarHBondContact O-CB 3.43Å; S367-A371 PolarHBondContact O-N 2.75Å
368I67.2Low63.9Low55 Ų5581.8 Ų81.828%0.28245%0.454SS..Hα-helixtrans-67.5-41.9174.6-69.2163.2000110.5H362 S365 A366 Y372 Y423H362-I368 VanDerWaalsContact O-CD1 3.24Å; H362-I368 WeakPolarHBondContact O-CD1 3.18Å; S365-I368 PolarHBondContact O-N 2.75Å; S365-I368 WeakPolarHBondContact OG-CD1 3.5Å; S365-I368 VanDerWaalsContact OG-CG1 3.29Å; S365-I368 WeakPolarHBondContact OG-CG1 3.48Å; S365-I368 PolarHBondContact OG-N 3.32Å; A366-I368 VanDerWaalsContact C-N 3.29Å; A366-I368 PolarHBondContact O-N 3.28Å; I368-Y372 WeakPolarHBondContact O-CB 3.44Å; I368-Y372 PolarHBondContact O-N 2.89Å; I368-Y423 HydrophobicContact CD1-CE1 4.43Å; I368-Y423 HydrophobicContact CG1-CE1 3.56Å; I368-Y423 WeakPolarHBondContact CG1-OH 3.15Å
369Q69.6Low66.4Low89 Ų8974.4 Ų74.442%0.41642%0.416SS..Hα-helixtrans-67.9-44.5-179.7-55.7-160.7-13.700111.5Y274 A366 Y372 S373Y274-Q369 WeakPolarHBondContact OH-CG 3.42Å; Y274-Q369 PolarHBondContact OH-NE2 3Å; Y274-Q369 VanDerWaalsContact OH-NE2 3.08Å; A366-Q369 PolarHBondContact O-N 3.39Å; A366-Q369 VanDerWaalsContact O-N 3.09Å; Q369-Y372 PolarHBondContact O-N 3.34Å; Q369-S373 PolarHBondContact O-N 3.19Å; Q369-S373 PolarHBondContact O-OG 3.34Å
370T78.3Confident68.5Low74 Ų7472.9 Ų72.945%0.45440%0.404SS..Hα-helixtrans-65.2-41.2176.2-51.50000111.8A366 S373 M374A366-T370 PolarHBondContact O-N 3.37Å; A366-T370 PolarHBondContact O-OG1 2.7Å; T370-S373 PolarHBondContact O-N 3.23Å; T370-S373 PolarHBondContact O-OG 3.44Å; T370-S373 VanDerWaalsContact O-OG 3.04Å; T370-M374 HydrophobicContact CG2-CE 4.18Å; T370-M374 HydrophobicContact CG2-SD 4.35Å; T370-M374 WeakPolarHBondContact O-CB 3.29Å; T370-M374 VanDerWaalsContact O-CG 3.28Å; T370-M374 WeakPolarHBondContact O-CG 3.36Å; T370-M374 PolarHBondContact O-N 2.56Å
371A74.9Confident70.6Confident6 Ų674.6 Ų74.65%0.0540%0.403CS..Hα-helixtrans-66.3-40176.500000112.6S367 A375 H421 Y423S367-A371 WeakPolarHBondContact O-CB 3.43Å; S367-A371 PolarHBondContact O-N 2.75Å; A371-A375 VanDerWaalsContact O-CB 3.28Å; A371-A375 WeakPolarHBondContact O-CB 3.31Å; A371-A375 PolarHBondContact O-N 3.33Å; A371-H421 HydrophobicContact CB-CB 4.13Å; A371-Y423 HydrophobicContact CB-CD2 3.95Å; A371-Y423 HydrophobicContact CB-CE2 3.33Å
372Y82.2Confident73Confident102 Ų10269.6 Ų69.640%0.438%0.375SS..Hα-helixtrans-64.9-40.9174.8-175.6-89.8000112I368 Q369 A375 Y376 L418I368-Y372 WeakPolarHBondContact O-CB 3.44Å; I368-Y372 PolarHBondContact O-N 2.89Å; Q369-Y372 PolarHBondContact O-N 3.34Å; Y372-A375 PolarHBondContact O-N 3.44Å; Y372-Y376 HydrophobicContact CE1-CD2 4.1Å; Y372-Y376 VanDerWaalsContact O-CB 3.26Å; Y372-Y376 WeakPolarHBondContact O-CB 3.36Å; Y372-Y376 PolarHBondContact O-N 2.64Å; Y372-L418 HydrophobicContact CD2-CD2 3.92Å
373S79.7Confident75.2Confident66 Ų6662 Ų6246%0.46234%0.34SS..Hα-helixtrans-71.2-35.2178.766.60000113.1Q369 T370 S377Q369-S373 PolarHBondContact O-N 3.19Å; Q369-S373 PolarHBondContact O-OG 3.34Å; T370-S373 PolarHBondContact O-N 3.23Å; T370-S373 PolarHBondContact O-OG 3.44Å; T370-S373 VanDerWaalsContact O-OG 3.04Å; S373-S377 WeakPolarHBondContact O-CB 3.45Å; S373-S377 PolarHBondContact O-N 3.46Å; S373-S377 PolarHBondContact O-OG 3.4Å; S373-S377 VanDerWaalsContact O-OG 3.06Å
374M81.8Confident77.5Confident81 Ų8162.4 Ų62.440%0.39934%0.336SS..Hα-helixtrans-64-48.6169.1-70.4-174.1-53.900111.1T370 Y376 S377 S378T370-M374 HydrophobicContact CG2-CE 4.18Å; T370-M374 HydrophobicContact CG2-SD 4.35Å; T370-M374 WeakPolarHBondContact O-CB 3.29Å; T370-M374 VanDerWaalsContact O-CG 3.28Å; T370-M374 WeakPolarHBondContact O-CG 3.36Å; T370-M374 PolarHBondContact O-N 2.56Å; M374-Y376 VanDerWaalsContact C-N 3.32Å; M374-Y376 PolarHBondContact O-N 3.22Å; M374-S377 PolarHBondContact O-N 3.01Å; M374-S377 PolarHBondContact O-OG 3.11Å; M374-S377 VanDerWaalsContact O-OG 3.07Å; M374-S378 WeakPolarHBondContact O-CB 3.48Å; M374-S378 PolarHBondContact O-N 3.02Å; M374-S378 PolarHBondContact O-OG 3.13Å; M374-S378 VanDerWaalsContact O-OG 3.07Å
375A85.8Confident79.2Confident0 Ų058.4 Ų58.40%032%0.315CS..Hα-helixtrans-59-42.1177.100000112.7A371 Y372 A379 L414 L418A371-A375 VanDerWaalsContact O-CB 3.28Å; A371-A375 WeakPolarHBondContact O-CB 3.31Å; A371-A375 PolarHBondContact O-N 3.33Å; Y372-A375 PolarHBondContact O-N 3.44Å; A375-A379 WeakPolarHBondContact O-CB 3.43Å; A375-A379 PolarHBondContact O-N 3.18Å; A375-L414 HydrophobicContact CB-CD1 4.23Å; A375-L418 HydrophobicContact CB-CD2 3.77Å; A375-L418 HydrophobicContact CB-CG 3.97Å
376Y88.3Confident80.5Confident59 Ų5957.2 Ų57.223%0.23131%0.305CS..Hα-helixtrans-65.8-45.5178.1-169.3-75.5000112Y267 Y372 M374 A379 Y380 F410Y267-Y376 HydrophobicContact CD2-CE1 4.46Å; Y372-Y376 HydrophobicContact CE1-CD2 4.1Å; Y372-Y376 VanDerWaalsContact O-CB 3.26Å; Y372-Y376 WeakPolarHBondContact O-CB 3.36Å; Y372-Y376 PolarHBondContact O-N 2.64Å; M374-Y376 VanDerWaalsContact C-N 3.32Å; M374-Y376 PolarHBondContact O-N 3.22Å; Y376-A379 PolarHBondContact O-N 3.33Å; Y376-Y380 VanDerWaalsContact O-CB 3.31Å; Y376-Y380 WeakPolarHBondContact O-CB 3.3Å; Y376-Y380 PolarHBondContact O-N 3.46Å; Y376-F410 HydrophobicContact CD1-CZ 4.42Å; Y376-F410 AromaticContact CD2-CZ 3.76Å; Y376-F410 HydrophobicContact CD2-CZ 3.76Å; Y376-F410 HydrophobicContact CE1-CZ 4.23Å; Y376-F410 HydrophobicContact CE2-CE1 4.11Å; Y376-F410 AromaticContact CE2-CZ 3.55Å; Y376-F410 HydrophobicContact CE2-CZ 3.55Å; Y376-F410 HydrophobicContact CG-CZ 4.18Å; Y376-F410 AromaticContact CZ-CZ 3.79Å
377S83.8Confident81.4Confident55 Ų5554.8 Ų54.839%0.38528%0.281SS..Hα-helixtrans-68.2-42.3-179.362.50000112S373 M374 Y380 Q381S373-S377 WeakPolarHBondContact O-CB 3.45Å; S373-S377 PolarHBondContact O-N 3.46Å; S373-S377 PolarHBondContact O-OG 3.4Å; S373-S377 VanDerWaalsContact O-OG 3.06Å; M374-S377 PolarHBondContact O-N 3.01Å; M374-S377 PolarHBondContact O-OG 3.11Å; M374-S377 VanDerWaalsContact O-OG 3.07Å; S377-Y380 PolarHBondContact O-N 2.92Å; S377-Q381 WeakPolarHBondContact O-CG 3.41Å; S377-Q381 PolarHBondContact O-N 2.72Å
378S87.3Confident81.6Confident38 Ų3856.4 Ų56.427%0.26629%0.292SS..Hα-helixtrans-63.4-44.1173.7-560000112.2M374 Y380 Q381 E382 Y417M374-S378 WeakPolarHBondContact O-CB 3.48Å; M374-S378 PolarHBondContact O-N 3.02Å; M374-S378 PolarHBondContact O-OG 3.13Å; M374-S378 VanDerWaalsContact O-OG 3.07Å; S378-Y380 VanDerWaalsContact C-N 3.32Å; S378-Y380 PolarHBondContact O-N 2.67Å; S378-Q381 PolarHBondContact O-N 3.19Å; S378-E382 PolarHBondContact O-N 3.23Å; S378-Y417 VanDerWaalsContact C-CE2 3.49Å; S378-Y417 VanDerWaalsContact CB-CE2 3.49Å
379A89.9Confident81.7Confident0 Ų058.3 Ų58.30%031%0.307CS..Hα-helixtrans-62-38.917600000112.7A375 Y376 T383 F410 L414 Y417A375-A379 WeakPolarHBondContact O-CB 3.43Å; A375-A379 PolarHBondContact O-N 3.18Å; Y376-A379 PolarHBondContact O-N 3.33Å; A379-T383 VanDerWaalsContact O-CB 3.25Å; A379-T383 WeakPolarHBondContact O-CB 3.37Å; A379-T383 PolarHBondContact O-N 2.81Å; A379-T383 PolarHBondContact O-OG1 2.93Å; A379-F410 HydrophobicContact CB-CD2 4.14Å; A379-F410 HydrophobicContact CB-CE2 3.84Å; A379-L414 HydrophobicContact CB-CB 3.98Å; A379-L414 HydrophobicContact CB-CD1 4.45Å; A379-Y417 HydrophobicContact CB-CD2 4.1Å
380Y86.9Confident81.3Confident72 Ų7256.7 Ų56.728%0.28230%0.3SS..Hα-helixtrans-66.2-47.3177.4-173.9-97.1000111.7Y376 S377 S378 T383 L384 W406Y376-Y380 VanDerWaalsContact O-CB 3.31Å; Y376-Y380 WeakPolarHBondContact O-CB 3.3Å; Y376-Y380 PolarHBondContact O-N 3.46Å; S377-Y380 PolarHBondContact O-N 2.92Å; S378-Y380 VanDerWaalsContact C-N 3.32Å; S378-Y380 PolarHBondContact O-N 2.67Å; Y380-T383 PolarHBondContact O-N 3.33Å; Y380-L384 HydrophobicContact CD1-CD1 3.94Å; Y380-L384 HydrophobicContact CE1-CD1 3.39Å; Y380-L384 HydrophobicContact CE1-CG 4.22Å; Y380-L384 WeakPolarHBondContact O-CG 3.48Å; Y380-L384 PolarHBondContact O-N 3.49Å; Y380-W406 HydrophobicContact CD2-CH2 4.08Å; Y380-W406 AromaticContact CD2-CZ2 3.67Å; Y380-W406 HydrophobicContact CD2-CZ2 3.67Å; Y380-W406 HydrophobicContact CE2-CH2 4.3Å; Y380-W406 AromaticContact CE2-CZ2 3.72Å; Y380-W406 HydrophobicContact CE2-CZ2 3.72Å
381Q87.5Confident80Confident135 Ų13559.2 Ų59.263%0.63132%0.316SS*.Hα-helixtrans-62.9-48.9178.5-72.6-176.411.100112.4S377 S378 T383 L384 K385S377-Q381 WeakPolarHBondContact O-CG 3.41Å; S377-Q381 PolarHBondContact O-N 2.72Å; S378-Q381 PolarHBondContact O-N 3.19Å; Q381-T383 VanDerWaalsContact C-N 3.3Å; Q381-T383 PolarHBondContact O-N 3.25Å; Q381-L384 PolarHBondContact O-N 3.37Å; Q381-K385 WeakPolarHBondContact O-CB 3.11Å; Q381-K385 PolarHBondContact O-N 2.94Å
382E86.4Confident79Confident42 Ų4261.9 Ų61.920%0.19634%0.344CS..Hα-helixtrans-69-31.3-178.4-161.860.7-149.500111.5S378 K385 F386 Y413S378-E382 PolarHBondContact O-N 3.23Å; E382-K385 PolarHBondContact O-N 3.42Å; E382-K385 IonicContact OE1-NZ 3.16Å; E382-K385 PolarHBondContact OE1-NZ 3.01Å; E382-K385 IonicContact OE2-NZ 2.65Å; E382-K385 PolarHBondContact OE2-NZ 2.97Å; E382-F386 WeakPolarHBondContact O-CB 3.5Å; E382-F386 PolarHBondContact O-N 3.33Å; E382-Y413 HydrophobicContact CB-CD1 4.23Å; E382-Y413 HydrophobicContact CB-CD2 4.42Å; E382-Y413 HydrophobicContact CB-CE1 4.23Å; E382-Y413 HydrophobicContact CB-CE2 4.42Å; E382-Y413 HydrophobicContact CB-CG 4.33Å; E382-Y413 HydrophobicContact CG-CD1 3.98Å; E382-Y413 HydrophobicContact CG-CE1 3.53Å; E382-Y413 HydrophobicContact CG-CE2 4.2Å
383T88.5Confident77.5Confident0 Ų058.8 Ų58.80%034%0.337CS..Hα-helixtrans-62.5-48.7169.9-58.80000111.8A379 Y380 Q381 K385 F386 M387 W406 F410 Y413A379-T383 VanDerWaalsContact O-CB 3.25Å; A379-T383 WeakPolarHBondContact O-CB 3.37Å; A379-T383 PolarHBondContact O-N 2.81Å; A379-T383 PolarHBondContact O-OG1 2.93Å; Y380-T383 PolarHBondContact O-N 3.33Å; Q381-T383 VanDerWaalsContact C-N 3.3Å; Q381-T383 PolarHBondContact O-N 3.25Å; T383-K385 PolarHBondContact O-N 2.99Å; T383-F386 PolarHBondContact O-N 3.47Å; T383-M387 HydrophobicContact CG2-CG 4.14Å; T383-M387 WeakPolarHBondContact O-CB 3.43Å; T383-M387 WeakPolarHBondContact O-CG 3.44Å; T383-M387 PolarHBondContact O-N 3.09Å; T383-W406 HydrophobicContact CG2-CD2 4.1Å; T383-W406 HydrophobicContact CG2-CG 4.04Å; T383-W406 HydrophobicContact CG2-CZ2 4.33Å; T383-F410 HydrophobicContact CG2-CB 4.3Å; T383-F410 VanDerWaalsContact OG1-CA 3.29Å; T383-F410 WeakPolarHBondContact OG1-CA 3.36Å; T383-F410 PolarHBondContact OG1-N 2.95Å; T383-Y413 WeakPolarHBondContact OG1-CD2 3.48Å
384L82.8Confident76.3Confident49 Ų4962.8 Ų62.826%0.25735%0.353SS..Hα-helixtrans-60.6-45.9177.3-73.6179.9000111.3Y380 Q381 F386 M387 S388Y380-L384 HydrophobicContact CD1-CD1 3.94Å; Y380-L384 HydrophobicContact CE1-CD1 3.39Å; Y380-L384 HydrophobicContact CE1-CG 4.22Å; Y380-L384 WeakPolarHBondContact O-CG 3.48Å; Y380-L384 PolarHBondContact O-N 3.49Å; Q381-L384 PolarHBondContact O-N 3.37Å; L384-F386 PolarHBondContact O-N 3.1Å; L384-M387 PolarHBondContact O-N 3.39Å; L384-S388 WeakPolarHBondContact O-CB 3.5Å; L384-S388 PolarHBondContact O-N 3.31Å; L384-S388 PolarHBondContact O-OG 3.22Å
385K83.6Confident75.4Confident114 Ų11461.7 Ų61.750%0.49635%0.349SS..Hα-helixtrans-59.5-44.3177.8174.6167.5159.7-109.90112.2Q381 E382 T383 S388 T389Q381-K385 WeakPolarHBondContact O-CB 3.11Å; Q381-K385 PolarHBondContact O-N 2.94Å; E382-K385 PolarHBondContact O-N 3.42Å; E382-K385 IonicContact OE1-NZ 3.16Å; E382-K385 PolarHBondContact OE1-NZ 3.01Å; E382-K385 IonicContact OE2-NZ 2.65Å; E382-K385 PolarHBondContact OE2-NZ 2.97Å; T383-K385 PolarHBondContact O-N 2.99Å; K385-S388 PolarHBondContact O-N 3.16Å; K385-T389 WeakPolarHBondContact O-CB 2.93Å; K385-T389 VanDerWaalsContact O-CG2 3.31Å; K385-T389 WeakPolarHBondContact O-CG2 3.24Å; K385-T389 PolarHBondContact O-N 3.48Å; K385-T389 PolarHBondContact O-OG1 3.44Å
386F80.3Confident74.3Confident22 Ų2264.6 Ų64.610%0.09637%0.373CS..Hα-helixtrans-67.7-45.1176.1-169.6-86.7000112.3E382 T383 L384 S388 T389 N390 Y409 Y413 L441E382-F386 WeakPolarHBondContact O-CB 3.5Å; E382-F386 PolarHBondContact O-N 3.33Å; T383-F386 PolarHBondContact O-N 3.47Å; L384-F386 PolarHBondContact O-N 3.1Å; F386-S388 PolarHBondContact O-N 3.24Å; F386-T389 PolarHBondContact O-N 3.07Å; F386-T389 PolarHBondContact O-OG1 2.76Å; F386-N390 HydrophobicContact CD1-CB 4.37Å; F386-N390 HydrophobicContact CE1-CB 3.92Å; F386-N390 VanDerWaalsContact CE1-ND2 3.27Å; F386-N390 WeakPolarHBondContact CE1-ND2 3.37Å; F386-N390 HydrophobicContact CZ-CB 4.22Å; F386-N390 WeakPolarHBondContact CZ-ND2 3.23Å; F386-N390 WeakPolarHBondContact O-CB 3.45Å; F386-N390 PolarHBondContact O-N 2.95Å; F386-Y409 HydrophobicContact CD1-CD1 4.21Å; F386-Y409 HydrophobicContact CD1-CD2 4.02Å; F386-Y409 AromaticContact CD1-CE1 3.94Å; F386-Y409 HydrophobicContact CD1-CE1 3.94Å; F386-Y409 AromaticContact CD1-CE2 3.69Å; F386-Y409 HydrophobicContact CD1-CE2 3.69Å; F386-Y409 HydrophobicContact CD1-CG 4.29Å; F386-Y409 AromaticContact CD1-CZ 3.68Å; F386-Y409 HydrophobicContact CE1-CD1 4.38Å; F386-Y409 HydrophobicContact CE1-CD2 4.4Å; F386-Y409 AromaticContact CE1-CE1 3.65Å; F386-Y409 HydrophobicContact CE1-CE1 3.65Å; F386-Y409 AromaticContact CE1-CE2 3.64Å; F386-Y409 HydrophobicContact CE1-CE2 3.64Å; F386-Y409 AromaticContact CE1-CZ 3.23Å; F386-Y409 VanDerWaalsContact CE1-OH 3.31Å; F386-Y409 WeakPolarHBondContact CE1-OH 3.18Å; F386-Y409 HydrophobicContact CZ-CE1 4.25Å; F386-Y413 HydrophobicContact CB-CE2 4.5Å; F386-L441 HydrophobicContact CD2-CD2 3.98Å; F386-L441 HydrophobicContact CE1-CD2 4.4Å; F386-L441 HydrophobicContact CE2-CD2 3.44Å; F386-L441 VanDerWaalsContact CE2-CD2 3.44Å; F386-L441 HydrophobicContact CZ-CD2 3.67Å; F386-L441 HydrophobicContact CZ-CG 4.46Å
387M77.5Confident73.2Confident22 Ų2263.9 Ų63.911%0.10838%0.375CS..Hα-helixtrans-63.9-28.3178.5-67.4-74.3-68.600112.5T383 L384 Y402 W406 Y409T383-M387 HydrophobicContact CG2-CG 4.14Å; T383-M387 WeakPolarHBondContact O-CB 3.43Å; T383-M387 WeakPolarHBondContact O-CG 3.44Å; T383-M387 PolarHBondContact O-N 3.09Å; L384-M387 PolarHBondContact O-N 3.39Å; M387-Y402 HydrophobicContact CE-CD1 4.32Å; M387-Y402 HydrophobicContact CE-CD2 3.44Å; M387-Y402 VanDerWaalsContact CE-CD2 3.44Å; M387-Y402 HydrophobicContact CE-CE1 4.13Å; M387-Y402 HydrophobicContact CE-CE2 3.25Å; M387-Y402 HydrophobicContact CE-CG 3.98Å; M387-W406 HydrophobicContact CE-CB 4.1Å; M387-Y409 HydrophobicContact CG-CD2 4.43Å; M387-Y409 HydrophobicContact SD-CD2 3.63Å; M387-Y409 HydrophobicContact SD-CE2 3.95Å
388S71.4Confident72.4Confident103 Ų10366.8 Ų66.872%0.7239%0.386SS*.Hα-helixtrans-86.4-30.6178.6-53.40000113.5L384 K385 F386L384-S388 WeakPolarHBondContact O-CB 3.5Å; L384-S388 PolarHBondContact O-N 3.31Å; L384-S388 PolarHBondContact O-OG 3.22Å; K385-S388 PolarHBondContact O-N 3.16Å; F386-S388 PolarHBondContact O-N 3.24Å
389T68.7Low71.9Confident96 Ų9667 Ų6759%0.58939%0.386SS*.Hα-helixtrans-88.5-24.6-178.952.10000113.6K385 F386 T391K385-T389 WeakPolarHBondContact O-CB 2.93Å; K385-T389 VanDerWaalsContact O-CG2 3.31Å; K385-T389 WeakPolarHBondContact O-CG2 3.24Å; K385-T389 PolarHBondContact O-N 3.48Å; K385-T389 PolarHBondContact O-OG1 3.44Å; F386-T389 PolarHBondContact O-N 3.07Å; F386-T389 PolarHBondContact O-OG1 2.76Å; T389-T391 PolarHBondContact O-N 3.49Å; T389-T391 VanDerWaalsContact O-N 3.07Å
390N61.2Low71.4Confident54 Ų5474 Ų7429%0.28942%0.419SS..  trans-81.988.1-178.3-168.3-24.2000112.2F386 G392 C393F386-N390 HydrophobicContact CD1-CB 4.37Å; F386-N390 HydrophobicContact CE1-CB 3.92Å; F386-N390 VanDerWaalsContact CE1-ND2 3.27Å; F386-N390 WeakPolarHBondContact CE1-ND2 3.37Å; F386-N390 HydrophobicContact CZ-CB 4.22Å; F386-N390 WeakPolarHBondContact CZ-ND2 3.23Å; F386-N390 WeakPolarHBondContact O-CB 3.45Å; F386-N390 PolarHBondContact O-N 2.95Å; N390-G392 PolarHBondContact O-N 3.08Å; N390-G392 WeakPolarHBondContact OD1-CA 3.37Å; N390-G392 PolarHBondContact OD1-N 3.17Å; N390-C393 WeakPolarHBondContact O-CB 3.11Å; N390-C393 PolarHBondContact O-N 3.1Å
391T51.9Low70.8Confident128 Ų12875.6 Ų75.679%0.78543%0.429SS*.THydrogen-bonded Turntrans-59.4-10.9176.2-3.90000114.8T389 C393 N394T389-T391 PolarHBondContact O-N 3.49Å; T389-T391 VanDerWaalsContact O-N 3.07Å; T391-C393 VanDerWaalsContact C-N 3.29Å; T391-N394 PolarHBondContact O-ND2 3.08Å; T391-N394 VanDerWaalsContact O-ND2 3.13Å
392G53Low70.4Confident61 Ų6171.9 Ų71.963%0.62941%0.41SS*.THydrogen-bonded Turntrans-71.2-22.9169.700000113.3N390 N394N390-G392 PolarHBondContact O-N 3.08Å; N390-G392 WeakPolarHBondContact OD1-CA 3.37Å; N390-G392 PolarHBondContact OD1-N 3.17Å; G392-N394 PolarHBondContact O-N 3.05Å; G392-N394 VanDerWaalsContact O-N 3.09Å
393C51.1Low70Confident37 Ų3773 Ų7325%0.2542%0.419CS..  trans-85.667.2179.9-70.90000112.4N390 T391 L395N390-C393 WeakPolarHBondContact O-CB 3.11Å; N390-C393 PolarHBondContact O-N 3.1Å; T391-C393 VanDerWaalsContact C-N 3.29Å; C393-L395 HydrophobicContact CB-CD1 4.05Å; C393-L395 PolarHBondContact O-N 3.45Å
394N54.2Low69.6Low151 Ų15175.7 Ų75.781%0.80744%0.438SS*.  trans-72.651.2167.8-79.6-85.2000112.1T391 G392T391-N394 PolarHBondContact O-ND2 3.08Å; T391-N394 VanDerWaalsContact O-ND2 3.13Å; G392-N394 PolarHBondContact O-N 3.05Å; G392-N394 VanDerWaalsContact O-N 3.09Å
395L62.6Low69.6Low58 Ų5874.8 Ų74.830%0.30443%0.433SS..  trans-107.5113.1178.3-69.677.6000107.7C393 E401 Y402C393-L395 HydrophobicContact CB-CD1 4.05Å; C393-L395 PolarHBondContact O-N 3.45Å; L395-E401 HydrophobicContact CD2-CB 3.61Å; L395-Y402 HydrophobicContact CB-CD2 4.43Å; L395-Y402 WeakPolarHBondContact O-CD2 3.35Å
396A63.1Low69.8Low61 Ų6170.8 Ų70.850%0.50441%0.414SS..  trans-60.1141.4175.600000110.2N398 T399 Y402A396-N398 PolarHBondContact O-N 3.42Å; A396-N398 VanDerWaalsContact O-N 3.13Å; A396-T399 HydrophobicContact CB-CG2 4.22Å; A396-T399 WeakPolarHBondContact O-CB 3.48Å; A396-T399 WeakPolarHBondContact O-CG2 3.29Å; A396-T399 PolarHBondContact O-N 3.04Å; A396-T399 PolarHBondContact O-OG1 3.46Å; A396-Y402 WeakPolarHBondContact O-CB 3.37Å
397P66Low70.1Confident44 Ų4474.2 Ų74.229%0.28643%0.431SS..THydrogen-bonded Turntrans-63.9-26.3-168.225-34.9000113.7E259 T399 Y402E259-P397 WeakPolarHBondContact OE1-CB 3.18Å; E259-P397 VanDerWaalsContact OE1-CG 3.31Å; E259-P397 WeakPolarHBondContact OE1-CG 3.43Å; P397-T399 PolarHBondContact O-N 2.78Å; P397-Y402 HydrophobicContact CB-CD1 4.21Å; P397-Y402 HydrophobicContact CB-CD2 4.31Å; P397-Y402 HydrophobicContact CB-CE1 3.98Å; P397-Y402 HydrophobicContact CB-CE2 4.05Å; P397-Y402 HydrophobicContact CB-CG 4.39Å; P397-Y402 VanDerWaalsContact O-CD1 3.26Å; P397-Y402 WeakPolarHBondContact O-CD1 3.49Å
398N67.3Low70.4Confident116 Ų11680 Ų8062%0.6245%0.451SS*.THydrogen-bonded Turntrans-74.12.4172.5-80.6-69.7000115.2E259 A396E259-N398 PolarHBondContact OE1-N 3.15Å; E259-N398 VanDerWaalsContact OE1-N 3.11Å; E259-N398 PolarHBondContact OE1-ND2 3.37Å; E259-N398 PolarHBondContact OE1-OD1 2.86Å; E259-N398 PolarHBondContact OE2-ND2 2.95Å; A396-N398 PolarHBondContact O-N 3.42Å; A396-N398 VanDerWaalsContact O-N 3.13Å
399T76.9Confident71.2Confident43 Ų4375.8 Ų75.826%0.26442%0.419SS..SBendtrans-81.9149.317858.40000112.8A396 P397 E401 Y402 T403A396-T399 HydrophobicContact CB-CG2 4.22Å; A396-T399 WeakPolarHBondContact O-CB 3.48Å; A396-T399 WeakPolarHBondContact O-CG2 3.29Å; A396-T399 PolarHBondContact O-N 3.04Å; A396-T399 PolarHBondContact O-OG1 3.46Å; P397-T399 PolarHBondContact O-N 2.78Å; T399-E401 PolarHBondContact O-N 3.11Å; T399-Y402 PolarHBondContact O-N 3.35Å; T399-Y402 WeakPolarHBondContact OG1-CB 3.46Å; T399-Y402 PolarHBondContact OG1-N 2.91Å; T399-T403 PolarHBondContact O-N 2.92Å; T399-T403 PolarHBondContact O-OG1 2.9Å
400Q78.7Confident72.2Confident146 Ų14671.9 Ų71.968%0.68240%0.395SS*.Hα-helixtrans-63.9-31.6171.9-174.4-179.8-98.500110.6T403 S404Q400-T403 PolarHBondContact O-N 3.4Å; Q400-S404 VanDerWaalsContact O-CB 3.28Å; Q400-S404 WeakPolarHBondContact O-CB 3.22Å; Q400-S404 PolarHBondContact O-N 2.71Å; Q400-S404 PolarHBondContact O-OG 3.17Å
401E73.1Confident73.4Confident106 Ų10672.7 Ų72.750%0.49540%0.399SS..Hα-helixtrans-68.8-46.7177.8-64.563.6-142.500110.6L395 T399 T403 S404 Q405L395-E401 HydrophobicContact CD2-CB 3.61Å; T399-E401 PolarHBondContact O-N 3.11Å; E401-T403 VanDerWaalsContact C-N 3.35Å; E401-T403 PolarHBondContact O-N 3.3Å; E401-S404 PolarHBondContact O-N 3.19Å; E401-Q405 VanDerWaalsContact O-CB 3.29Å; E401-Q405 WeakPolarHBondContact O-CB 3.41Å; E401-Q405 PolarHBondContact O-N 3.47Å
402Y80.3Confident75.1Confident57 Ų5769 Ų6922%0.22437%0.372CS..Hα-helixtrans-58.7-48.6172.1177.8-83.9000110.4M387 L395 A396 P397 T399 S404 Q405 W406M387-Y402 HydrophobicContact CE-CD1 4.32Å; M387-Y402 HydrophobicContact CE-CD2 3.44Å; M387-Y402 VanDerWaalsContact CE-CD2 3.44Å; M387-Y402 HydrophobicContact CE-CE1 4.13Å; M387-Y402 HydrophobicContact CE-CE2 3.25Å; M387-Y402 HydrophobicContact CE-CG 3.98Å; L395-Y402 HydrophobicContact CB-CD2 4.43Å; L395-Y402 WeakPolarHBondContact O-CD2 3.35Å; A396-Y402 WeakPolarHBondContact O-CB 3.37Å; P397-Y402 HydrophobicContact CB-CD1 4.21Å; P397-Y402 HydrophobicContact CB-CD2 4.31Å; P397-Y402 HydrophobicContact CB-CE1 3.98Å; P397-Y402 HydrophobicContact CB-CE2 4.05Å; P397-Y402 HydrophobicContact CB-CG 4.39Å; P397-Y402 VanDerWaalsContact O-CD1 3.26Å; P397-Y402 WeakPolarHBondContact O-CD1 3.49Å; T399-Y402 PolarHBondContact O-N 3.35Å; T399-Y402 WeakPolarHBondContact OG1-CB 3.46Å; T399-Y402 PolarHBondContact OG1-N 2.91Å; Y402-S404 VanDerWaalsContact C-N 3.31Å; Y402-S404 PolarHBondContact O-N 3.17Å; Y402-Q405 PolarHBondContact O-N 2.84Å; Y402-W406 HydrophobicContact CE1-CB 4.45Å; Y402-W406 WeakPolarHBondContact O-CB 3.38Å; Y402-W406 PolarHBondContact O-N 2.93Å
403T78.1Confident76.8Confident65 Ų6566.9 Ų66.940%0.39935%0.346SS..Hα-helixtrans-56.9-45.9178-58.30000111.1T399 Q400 E401 H407T399-T403 PolarHBondContact O-N 2.92Å; T399-T403 PolarHBondContact O-OG1 2.9Å; Q400-T403 PolarHBondContact O-N 3.4Å; E401-T403 VanDerWaalsContact C-N 3.35Å; E401-T403 PolarHBondContact O-N 3.3Å; T403-H407 PolarHBondContact O-N 3.28Å; T403-H407 PolarHBondContact O-ND1 3.19Å
404S79.4Confident78.6Confident57 Ų5766 Ų6640%0.39934%0.338SS..Hα-helixtrans-65.7-38.2178.8-60.90000112.4Q400 E401 Y402 R408Q400-S404 VanDerWaalsContact O-CB 3.28Å; Q400-S404 WeakPolarHBondContact O-CB 3.22Å; Q400-S404 PolarHBondContact O-N 2.71Å; Q400-S404 PolarHBondContact O-OG 3.17Å; E401-S404 PolarHBondContact O-N 3.19Å; Y402-S404 VanDerWaalsContact C-N 3.31Å; Y402-S404 PolarHBondContact O-N 3.17Å; S404-R408 WeakPolarHBondContact O-CG 3.42Å; S404-R408 PolarHBondContact O-N 2.96Å; S404-R408 VanDerWaalsContact O-N 3.11Å
405Q82.4Confident80.1Confident30 Ų3063 Ų6314%0.1432%0.322CS..Hα-helixtrans-76.5-38.5-178.4-165.857.238.400112E401 Y402 R408 Y409E401-Q405 VanDerWaalsContact O-CB 3.29Å; E401-Q405 WeakPolarHBondContact O-CB 3.41Å; E401-Q405 PolarHBondContact O-N 3.47Å; Y402-Q405 PolarHBondContact O-N 2.84Å; Q405-R408 WeakPolarHBondContact O-CB 3.42Å; Q405-R408 PolarHBondContact O-N 3.38Å; Q405-Y409 HydrophobicContact CG-CD2 4.09Å; Q405-Y409 HydrophobicContact CG-CE2 3.61Å; Q405-Y409 PolarHBondContact NE2-OH 3.43Å; Q405-Y409 VanDerWaalsContact O-CD2 3.3Å; Q405-Y409 WeakPolarHBondContact O-CD2 3.41Å; Q405-Y409 PolarHBondContact O-N 2.89Å
406W88.5Confident81.2Confident30 Ų3062.2 Ų62.211%0.11432%0.315CS..Hα-helixtrans-57.6-48.5169.6-170.6100000110.7Y380 T383 M387 Y402 R408 Y409 F410Y380-W406 HydrophobicContact CD2-CH2 4.08Å; Y380-W406 AromaticContact CD2-CZ2 3.67Å; Y380-W406 HydrophobicContact CD2-CZ2 3.67Å; Y380-W406 HydrophobicContact CE2-CH2 4.3Å; Y380-W406 AromaticContact CE2-CZ2 3.72Å; Y380-W406 HydrophobicContact CE2-CZ2 3.72Å; T383-W406 HydrophobicContact CG2-CD2 4.1Å; T383-W406 HydrophobicContact CG2-CG 4.04Å; T383-W406 HydrophobicContact CG2-CZ2 4.33Å; M387-W406 HydrophobicContact CE-CB 4.1Å; Y402-W406 HydrophobicContact CE1-CB 4.45Å; Y402-W406 WeakPolarHBondContact O-CB 3.38Å; Y402-W406 PolarHBondContact O-N 2.93Å; W406-R408 VanDerWaalsContact C-N 3.28Å; W406-R408 PolarHBondContact O-N 2.9Å; W406-Y409 PolarHBondContact O-N 3.42Å; W406-F410 HydrophobicContact CD2-CB 4.4Å; W406-F410 HydrophobicContact CE3-CB 3.88Å; W406-F410 HydrophobicContact CE3-CG 4.39Å; W406-F410 HydrophobicContact CH2-CB 3.83Å; W406-F410 HydrophobicContact CH2-CD1 4.07Å; W406-F410 AromaticContact CH2-CD2 3.56Å; W406-F410 HydrophobicContact CH2-CD2 3.56Å; W406-F410 HydrophobicContact CH2-CE2 4.17Å; W406-F410 AromaticContact CH2-CG 3.51Å; W406-F410 HydrophobicContact CH2-CG 3.51Å; W406-F410 HydrophobicContact CZ2-CB 4.36Å; W406-F410 HydrophobicContact CZ2-CD2 4.06Å; W406-F410 HydrophobicContact CZ2-CG 4.29Å; W406-F410 HydrophobicContact CZ3-CB 3.57Å; W406-F410 AromaticContact CZ3-CD1 3.93Å; W406-F410 HydrophobicContact CZ3-CD1 3.93Å; W406-F410 HydrophobicContact CZ3-CD2 4.13Å; W406-F410 AromaticContact CZ3-CG 3.58Å; W406-F410 HydrophobicContact CZ3-CG 3.58Å; W406-F410 VanDerWaalsContact O-CB 3.32Å; W406-F410 WeakPolarHBondContact O-CB 3.48Å; W406-F410 PolarHBondContact O-N 3.04Å
407H87.3Confident82.3Confident94 Ų9460.7 Ų60.744%0.43530%0.297SS..Hα-helixtrans-61.3-33.6176.7-79.983.6000112.9T403 N411T403-H407 PolarHBondContact O-N 3.28Å; T403-H407 PolarHBondContact O-ND1 3.19Å; H407-N411 WeakPolarHBondContact O-CB 3.44Å; H407-N411 PolarHBondContact O-N 3.41Å; H407-N411 PolarHBondContact O-ND2 2.98Å
408R84.1Confident83.3Confident142 Ų14260.1 Ų60.154%0.53629%0.291SS..Hα-helixtrans-66.7-49175.1-77.7171.5175.6171-1.9112.1S404 Q405 W406 H412 F435S404-R408 WeakPolarHBondContact O-CG 3.42Å; S404-R408 PolarHBondContact O-N 2.96Å; S404-R408 VanDerWaalsContact O-N 3.11Å; Q405-R408 WeakPolarHBondContact O-CB 3.42Å; Q405-R408 PolarHBondContact O-N 3.38Å; W406-R408 VanDerWaalsContact C-N 3.28Å; W406-R408 PolarHBondContact O-N 2.9Å; R408-H412 WeakPolarHBondContact O-CB 3.24Å; R408-H412 PolarHBondContact O-N 3.19Å; R408-F435 HydrophobicContact CB-CZ 4.17Å; R408-F435 HydrophobicContact CG-CZ 4.31Å
409Y86.7Confident83.9Confident15 Ų1560.9 Ų60.96%0.05929%0.291CS..Hα-helixtrans-65.2-44.8177.6-69.3-55000111.5F386 M387 Q405 W406 N411 H412 Y413 P438 L441F386-Y409 HydrophobicContact CD1-CD1 4.21Å; F386-Y409 HydrophobicContact CD1-CD2 4.02Å; F386-Y409 AromaticContact CD1-CE1 3.94Å; F386-Y409 HydrophobicContact CD1-CE1 3.94Å; F386-Y409 AromaticContact CD1-CE2 3.69Å; F386-Y409 HydrophobicContact CD1-CE2 3.69Å; F386-Y409 HydrophobicContact CD1-CG 4.29Å; F386-Y409 AromaticContact CD1-CZ 3.68Å; F386-Y409 HydrophobicContact CE1-CD1 4.38Å; F386-Y409 HydrophobicContact CE1-CD2 4.4Å; F386-Y409 AromaticContact CE1-CE1 3.65Å; F386-Y409 HydrophobicContact CE1-CE1 3.65Å; F386-Y409 AromaticContact CE1-CE2 3.64Å; F386-Y409 HydrophobicContact CE1-CE2 3.64Å; F386-Y409 AromaticContact CE1-CZ 3.23Å; F386-Y409 VanDerWaalsContact CE1-OH 3.31Å; F386-Y409 WeakPolarHBondContact CE1-OH 3.18Å; F386-Y409 HydrophobicContact CZ-CE1 4.25Å; M387-Y409 HydrophobicContact CG-CD2 4.43Å; M387-Y409 HydrophobicContact SD-CD2 3.63Å; M387-Y409 HydrophobicContact SD-CE2 3.95Å; Q405-Y409 HydrophobicContact CG-CD2 4.09Å; Q405-Y409 HydrophobicContact CG-CE2 3.61Å; Q405-Y409 PolarHBondContact NE2-OH 3.43Å; Q405-Y409 VanDerWaalsContact O-CD2 3.3Å; Q405-Y409 WeakPolarHBondContact O-CD2 3.41Å; Q405-Y409 PolarHBondContact O-N 2.89Å; W406-Y409 PolarHBondContact O-N 3.42Å; Y409-N411 PolarHBondContact O-N 3.29Å; Y409-H412 WeakPolarHBondContact O-CB 3.4Å; Y409-H412 PolarHBondContact O-N 2.98Å; Y409-H412 VanDerWaalsContact O-N 3.1Å; Y409-Y413 WeakPolarHBondContact O-CD2 3.28Å; Y409-Y413 PolarHBondContact O-N 2.94Å; Y409-P438 HydrophobicContact CD1-CG 4.37Å; Y409-P438 HydrophobicContact CE1-CB 3.92Å; Y409-P438 HydrophobicContact CE1-CG 3.71Å; Y409-L441 HydrophobicContact CE1-CD1 4.17Å; Y409-L441 HydrophobicContact CE1-CD2 4.08Å; Y409-L441 HydrophobicContact CE1-CG 4.29Å
410F89.9Confident83.9Confident15 Ų1561.6 Ų61.67%0.06630%0.295CS..Hα-helixtrans-59.8-45.8178.5-176.3-101.6000112.7Y376 A379 T383 W406 H412 L414Y376-F410 HydrophobicContact CD1-CZ 4.42Å; Y376-F410 AromaticContact CD2-CZ 3.76Å; Y376-F410 HydrophobicContact CD2-CZ 3.76Å; Y376-F410 HydrophobicContact CE1-CZ 4.23Å; Y376-F410 HydrophobicContact CE2-CE1 4.11Å; Y376-F410 AromaticContact CE2-CZ 3.55Å; Y376-F410 HydrophobicContact CE2-CZ 3.55Å; Y376-F410 HydrophobicContact CG-CZ 4.18Å; Y376-F410 AromaticContact CZ-CZ 3.79Å; A379-F410 HydrophobicContact CB-CD2 4.14Å; A379-F410 HydrophobicContact CB-CE2 3.84Å; T383-F410 HydrophobicContact CG2-CB 4.3Å; T383-F410 VanDerWaalsContact OG1-CA 3.29Å; T383-F410 WeakPolarHBondContact OG1-CA 3.36Å; T383-F410 PolarHBondContact OG1-N 2.95Å; W406-F410 HydrophobicContact CD2-CB 4.4Å; W406-F410 HydrophobicContact CE3-CB 3.88Å; W406-F410 HydrophobicContact CE3-CG 4.39Å; W406-F410 HydrophobicContact CH2-CB 3.83Å; W406-F410 HydrophobicContact CH2-CD1 4.07Å; W406-F410 AromaticContact CH2-CD2 3.56Å; W406-F410 HydrophobicContact CH2-CD2 3.56Å; W406-F410 HydrophobicContact CH2-CE2 4.17Å; W406-F410 AromaticContact CH2-CG 3.51Å; W406-F410 HydrophobicContact CH2-CG 3.51Å; W406-F410 HydrophobicContact CZ2-CB 4.36Å; W406-F410 HydrophobicContact CZ2-CD2 4.06Å; W406-F410 HydrophobicContact CZ2-CG 4.29Å; W406-F410 HydrophobicContact CZ3-CB 3.57Å; W406-F410 AromaticContact CZ3-CD1 3.93Å; W406-F410 HydrophobicContact CZ3-CD1 3.93Å; W406-F410 HydrophobicContact CZ3-CD2 4.13Å; W406-F410 AromaticContact CZ3-CG 3.58Å; W406-F410 HydrophobicContact CZ3-CG 3.58Å; W406-F410 VanDerWaalsContact O-CB 3.32Å; W406-F410 WeakPolarHBondContact O-CB 3.48Å; W406-F410 PolarHBondContact O-N 3.04Å; F410-H412 VanDerWaalsContact C-N 3.32Å; F410-H412 PolarHBondContact O-N 2.92Å; F410-L414 HydrophobicContact CE1-CD2 3.95Å; F410-L414 HydrophobicContact CZ-CD2 4.32Å; F410-L414 WeakPolarHBondContact O-CB 3.44Å; F410-L414 PolarHBondContact O-N 3.3Å
411N87.3Confident83.4Confident70 Ų7057.4 Ų57.437%0.37428%0.276SS..Hα-helixtrans-67-32.3175.4-79.4-80000112.6H407 Y409 N415H407-N411 WeakPolarHBondContact O-CB 3.44Å; H407-N411 PolarHBondContact O-N 3.41Å; H407-N411 PolarHBondContact O-ND2 2.98Å; Y409-N411 PolarHBondContact O-N 3.29Å; N411-N415 PolarHBondContact O-N 3.42Å; N411-N415 VanDerWaalsContact O-N 3.17Å; N411-N415 PolarHBondContact O-ND2 3.28Å
412H86.1Confident82.9Confident51 Ų5159.5 Ų59.524%0.23629%0.29CS..Hα-helixtrans-64.6-53.4174.7176.865.9000111.3R408 Y409 F410 L414 N415 Y416 F435R408-H412 WeakPolarHBondContact O-CB 3.24Å; R408-H412 PolarHBondContact O-N 3.19Å; Y409-H412 WeakPolarHBondContact O-CB 3.4Å; Y409-H412 PolarHBondContact O-N 2.98Å; Y409-H412 VanDerWaalsContact O-N 3.1Å; F410-H412 VanDerWaalsContact C-N 3.32Å; F410-H412 PolarHBondContact O-N 2.92Å; H412-L414 PolarHBondContact O-N 2.87Å; H412-N415 PolarHBondContact O-N 2.87Å; H412-Y416 PolarHBondContact O-N 3.06Å; H412-F435 HydrophobicContact CB-CE1 4.19Å
413Y89.8Confident81.7Confident17 Ų1760.5 Ų60.57%0.06729%0.294CS..Hα-helixtrans-65.7-37.8178.8-67-64.2000112.6E382 T383 F386 Y409 N415 Y416 Y417E382-Y413 HydrophobicContact CB-CD1 4.23Å; E382-Y413 HydrophobicContact CB-CD2 4.42Å; E382-Y413 HydrophobicContact CB-CE1 4.23Å; E382-Y413 HydrophobicContact CB-CE2 4.42Å; E382-Y413 HydrophobicContact CB-CG 4.33Å; E382-Y413 HydrophobicContact CG-CD1 3.98Å; E382-Y413 HydrophobicContact CG-CE1 3.53Å; E382-Y413 HydrophobicContact CG-CE2 4.2Å; T383-Y413 WeakPolarHBondContact OG1-CD2 3.48Å; F386-Y413 HydrophobicContact CB-CE2 4.5Å; Y409-Y413 WeakPolarHBondContact O-CD2 3.28Å; Y409-Y413 PolarHBondContact O-N 2.94Å; Y413-N415 PolarHBondContact O-N 2.84Å; Y413-Y416 WeakPolarHBondContact O-CB 3.29Å; Y413-Y416 PolarHBondContact O-N 2.89Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.28Å; Y413-Y417 PolarHBondContact O-N 2.86Å
414L88.7Confident80Confident17 Ų1762.2 Ų62.29%0.08931%0.305CS..Hα-helixtrans-62.6-44.6178.1-17863.5000111.8A375 A379 F410 H412 Y416 L418A375-L414 HydrophobicContact CB-CD1 4.23Å; A379-L414 HydrophobicContact CB-CB 3.98Å; A379-L414 HydrophobicContact CB-CD1 4.45Å; F410-L414 HydrophobicContact CE1-CD2 3.95Å; F410-L414 HydrophobicContact CZ-CD2 4.32Å; F410-L414 WeakPolarHBondContact O-CB 3.44Å; F410-L414 PolarHBondContact O-N 3.3Å; H412-L414 PolarHBondContact O-N 2.87Å; L414-Y416 VanDerWaalsContact C-N 3.35Å; L414-L418 HydrophobicContact CD1-CD1 4.18Å; L414-L418 HydrophobicContact CD1-CG 4.33Å; L414-L418 HydrophobicContact CG-CD1 4.01Å; L414-L418 WeakPolarHBondContact O-CB 3.46Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 3.06Å
415N85.5Confident78.3Confident89 Ų8963.1 Ų63.148%0.47631%0.309SS..Hα-helixtrans-64.8-39.5175.1-76.5-65.7000111.7N411 H412 Y413 L418 Q419N411-N415 PolarHBondContact O-N 3.42Å; N411-N415 VanDerWaalsContact O-N 3.17Å; N411-N415 PolarHBondContact O-ND2 3.28Å; H412-N415 PolarHBondContact O-N 2.87Å; Y413-N415 PolarHBondContact O-N 2.84Å; N415-L418 PolarHBondContact O-N 2.81Å; N415-Q419 WeakPolarHBondContact O-CB 3.18Å; N415-Q419 PolarHBondContact O-N 2.9Å
416Y86.4Confident76.1Confident41 Ų4168.1 Ų68.116%0.16134%0.342CS..Hα-helixtrans-59-52.1175172.8-97.3000112.1H412 Y413 L414 L418 Q419 V420 P444 P445 I447H412-Y416 PolarHBondContact O-N 3.06Å; Y413-Y416 WeakPolarHBondContact O-CB 3.29Å; Y413-Y416 PolarHBondContact O-N 2.89Å; L414-Y416 VanDerWaalsContact C-N 3.35Å; Y416-L418 PolarHBondContact O-N 2.77Å; Y416-Q419 WeakPolarHBondContact O-CB 3.11Å; Y416-Q419 PolarHBondContact O-N 3.14Å; Y416-V420 HydrophobicContact CD1-CG2 4.46Å; Y416-V420 HydrophobicContact CE1-CG2 4.06Å; Y416-V420 HydrophobicContact CE2-CG2 4.15Å; Y416-V420 WeakPolarHBondContact O-CG2 3.28Å; Y416-V420 PolarHBondContact O-N 2.94Å; Y416-P444 HydrophobicContact CD2-CB 4.38Å; Y416-P444 HydrophobicContact CD2-CG 4.02Å; Y416-P444 HydrophobicContact CE1-CB 4.15Å; Y416-P444 HydrophobicContact CE2-CB 3.84Å; Y416-P444 HydrophobicContact CE2-CG 3.53Å; Y416-P445 PolarHBondContact OH-O 3.07Å; Y416-I447 HydrophobicContact CE1-CD1 4.46Å
417Y86.7Confident73.8Confident30 Ų3070.2 Ų70.212%0.11836%0.355CS..Hα-helixtrans-68.5-34.3-179.4-69.9-66000113S378 A379 Y413 Q419 V420 H421S378-Y417 VanDerWaalsContact C-CE2 3.49Å; S378-Y417 VanDerWaalsContact CB-CE2 3.49Å; A379-Y417 HydrophobicContact CB-CD2 4.1Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.28Å; Y413-Y417 PolarHBondContact O-N 2.86Å; Y417-Q419 VanDerWaalsContact C-N 3.34Å; Y417-V420 PolarHBondContact O-N 3.47Å; Y417-H421 PolarHBondContact O-CD2 3.17Å; Y417-H421 PolarHBondContact O-N 2.87Å
418L85.8Confident71.2Confident31 Ų3169.8 Ų69.816%0.16236%0.362CS..Hα-helixtrans-63.3-40.4172.6-71.3171.4000111.9Y372 A375 L414 N415 Y416 H421 Y423Y372-L418 HydrophobicContact CD2-CD2 3.92Å; A375-L418 HydrophobicContact CB-CD2 3.77Å; A375-L418 HydrophobicContact CB-CG 3.97Å; L414-L418 HydrophobicContact CD1-CD1 4.18Å; L414-L418 HydrophobicContact CD1-CG 4.33Å; L414-L418 HydrophobicContact CG-CD1 4.01Å; L414-L418 WeakPolarHBondContact O-CB 3.46Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 3.06Å; N415-L418 PolarHBondContact O-N 2.81Å; Y416-L418 PolarHBondContact O-N 2.77Å; L418-H421 PolarHBondContact O-N 3.36Å; L418-Y423 WeakPolarHBondContact O-CA 3.48Å; L418-Y423 PolarHBondContact O-N 2.93Å
419Q80.3Confident69.1Low132 Ų13268.6 Ų68.662%0.61738%0.376SS*.Hα-helixtrans-64.8-42.9174.7-172.1176.210.200111.9N415 Y416 Y417 H421 N422N415-Q419 WeakPolarHBondContact O-CB 3.18Å; N415-Q419 PolarHBondContact O-N 2.9Å; Y416-Q419 WeakPolarHBondContact O-CB 3.11Å; Y416-Q419 PolarHBondContact O-N 3.14Å; Y417-Q419 VanDerWaalsContact C-N 3.34Å; Q419-H421 VanDerWaalsContact C-N 3.29Å; Q419-H421 PolarHBondContact O-N 3.42Å; Q419-N422 PolarHBondContact O-N 3.29Å
420V77.1Confident66.9Low59 Ų5975.6 Ų75.636%0.35841%0.409SS..Hα-helixtrans-62.3-34.9175169.70000112Y416 Y417 N422Y416-V420 HydrophobicContact CD1-CG2 4.46Å; Y416-V420 HydrophobicContact CE1-CG2 4.06Å; Y416-V420 HydrophobicContact CE2-CG2 4.15Å; Y416-V420 WeakPolarHBondContact O-CG2 3.28Å; Y416-V420 PolarHBondContact O-N 2.94Å; Y417-V420 PolarHBondContact O-N 3.47Å; V420-N422 PolarHBondContact O-N 3.46Å
421H67.9Low64.5Low58 Ų5880.4 Ų80.427%0.26943%0.432SS..THydrogen-bonded Turntrans-8222.1176.7-69.8-54.6000114.4A371 Y417 L418 Q419 Y423A371-H421 HydrophobicContact CB-CB 4.13Å; Y417-H421 PolarHBondContact O-CD2 3.17Å; Y417-H421 PolarHBondContact O-N 2.87Å; L418-H421 PolarHBondContact O-N 3.36Å; Q419-H421 VanDerWaalsContact C-N 3.29Å; Q419-H421 PolarHBondContact O-N 3.42Å; H421-Y423 HydrophobicContact CB-CD2 4.07Å; H421-Y423 HydrophobicContact CB-CE2 4.38Å; H421-Y423 WeakPolarHBondContact O-CD2 3.28Å; H421-Y423 WeakPolarHBondContact O-CE2 3.45Å; H421-Y423 PolarHBondContact O-N 2.99Å
422N62.8Low62.2Low149 Ų14983.6 Ų83.680%0.79744%0.444SS*.THydrogen-bonded Turntrans61.216.7-179.3-71.4-35000115.6Q419 V420 T424Q419-N422 PolarHBondContact O-N 3.29Å; V420-N422 PolarHBondContact O-N 3.46Å; N422-T424 PolarHBondContact O-N 3.39Å
423Y55.4Low59.7Low79 Ų7985.9 Ų85.931%0.3146%0.464SS..  trans-94.682.7170.1-63.7-72.5000109.9I368 A371 L418 H421 P425I368-Y423 HydrophobicContact CD1-CE1 4.43Å; I368-Y423 HydrophobicContact CG1-CE1 3.56Å; I368-Y423 WeakPolarHBondContact CG1-OH 3.15Å; A371-Y423 HydrophobicContact CB-CD2 3.95Å; A371-Y423 HydrophobicContact CB-CE2 3.33Å; L418-Y423 WeakPolarHBondContact O-CA 3.48Å; L418-Y423 PolarHBondContact O-N 2.93Å; H421-Y423 HydrophobicContact CB-CD2 4.07Å; H421-Y423 HydrophobicContact CB-CE2 4.38Å; H421-Y423 WeakPolarHBondContact O-CD2 3.28Å; H421-Y423 WeakPolarHBondContact O-CE2 3.45Å; H421-Y423 PolarHBondContact O-N 2.99Å; Y423-P425 WeakPolarHBondContact O-CD 3.15Å
424T42.4Very low57.4Low101 Ų10191 Ų9162%0.6250%0.497SS*.  trans-76.5101157.5-52.10000107.8N422 T426N422-T424 PolarHBondContact O-N 3.39Å; T424-T426 PolarHBondContact O-N 3.29Å; T424-T426 VanDerWaalsContact O-N 3.13Å
425P42.6Very low55.1Low75 Ų7594.7 Ų94.749%0.48751%0.512SS..  trans-60.5119.7156.228.8-33.1000106Y423 L427Y423-P425 WeakPolarHBondContact O-CD 3.15Å; P425-L427 HydrophobicContact CB-CG 4.45Å; P425-L427 HydrophobicContact CG-CD1 4.35Å; P425-L427 PolarHBondContact O-N 3.36Å
426T37.2Very low53.1Low135 Ų13598.4 Ų98.483%0.82852%0.524SS*.  trans-73.858.4174.539.40000110.6T424 S428T424-T426 PolarHBondContact O-N 3.29Å; T424-T426 VanDerWaalsContact O-N 3.13Å; T426-S428 PolarHBondContact O-N 3.49Å
427L39.6Very low51.2Low75 Ų75100.3 Ų100.339%0.39354%0.542SS..  trans-52.6106.6156.8-73.2166.4000106.4P425 Q431 Q432P425-L427 HydrophobicContact CB-CG 4.45Å; P425-L427 HydrophobicContact CG-CD1 4.35Å; P425-L427 PolarHBondContact O-N 3.36Å; L427-Q431 HydrophobicContact CD2-CB 4.11Å; L427-Q432 HydrophobicContact CB-CG 4.49Å
428S32.6Very low49.4Very low84 Ų84100.2 Ų100.259%0.58755%0.545SS*.  trans-51.1148.7174-175.90000109.3T426 E430 Q431T426-S428 PolarHBondContact O-N 3.49Å; S428-E430 PolarHBondContact O-N 2.84Å; S428-Q431 PolarHBondContact O-N 2.97Å
429S40.3Very low47.7Very low118 Ų118106 Ų10683%0.82558%0.582SS**THydrogen-bonded Turntrans-60.2-5.3-165.8-167.60000115.4
430E41.6Very low46.4Very low162 Ų162103.5 Ų103.576%0.75759%0.592SS**THydrogen-bonded Turntrans-93.7-7.6175-142.6-179.7124.400113.9S428S428-E430 PolarHBondContact O-N 2.84Å
431Q39.7Very low45.3Very low115 Ų115102.4 Ų102.454%0.53758%0.583SS.*SBendtrans-114.8-4-174.7-73.7-171.8-24.900115.4L427 S428 P433L427-Q431 HydrophobicContact CD2-CB 4.11Å; S428-Q431 PolarHBondContact O-N 2.97Å; Q431-P433 WeakPolarHBondContact O-CD 3.26Å
432Q38.2Very low44.6Very low137 Ų137103.9 Ų103.964%0.6460%0.598SS**SBendtrans-64.4128.5170.8-77-163.8-11.900110.3L427 V434L427-Q432 HydrophobicContact CB-CG 4.49Å; Q432-V434 PolarHBondContact O-N 3.5Å
433P34.3Very low44.1Very low100 Ų100102.1 Ų102.165%0.64960%0.595SS**  trans-61.1126.2166.7-18.231.3000108.9Q431 F435Q431-P433 WeakPolarHBondContact O-CD 3.26Å; P433-F435 PolarHBondContact O-N 3.03Å
434V40.1Very low44Very low125 Ų125100.8 Ų100.876%0.75860%0.596SS**  trans-71.977.7172.9-175.40000108.6Q432 F436Q432-V434 PolarHBondContact O-N 3.5Å; V434-F436 HydrophobicContact CG1-CD2 4.44Å; V434-F436 HydrophobicContact CG1-CE2 3.85Å; V434-F436 HydrophobicContact CG1-CZ 4.07Å; V434-F436 PolarHBondContact O-N 3.38Å
435F40.8Very low44.5Very low94 Ų94100.3 Ų100.341%0.41259%0.594SS.*  trans-86.789.8-172.2-154.1-81.7000109.2R408 H412 P433 P437R408-F435 HydrophobicContact CB-CZ 4.17Å; R408-F435 HydrophobicContact CG-CZ 4.31Å; H412-F435 HydrophobicContact CB-CE1 4.19Å; P433-F435 PolarHBondContact O-N 3.03Å; F435-P437 WeakPolarHBondContact O-CD 3.31Å
436F42.9Very low44.6Very low166 Ų166103.8 Ų103.873%0.72861%0.609SS**PPolyproline II helixtrans-56.9121.8168.1-66.7-83.7000108.7V434V434-F436 HydrophobicContact CG1-CD2 4.44Å; V434-F436 HydrophobicContact CG1-CE2 3.85Å; V434-F436 HydrophobicContact CG1-CZ 4.07Å; V434-F436 PolarHBondContact O-N 3.38Å
437P47.9Very low44.8Very low81 Ų81102.2 Ų102.253%0.52659%0.594SS.*PPolyproline II helixtrans-61.3137.4174.126.2-33.3000108.7F435 T439 L441F435-P437 WeakPolarHBondContact O-CD 3.31Å; P437-T439 PolarHBondContact O-N 3.07Å; P437-T439 VanDerWaalsContact O-N 3.08Å; P437-L441 HydrophobicContact CB-CD1 4.44Å
438P48.9Very low44.6Very low29 Ų29101.7 Ų101.719%0.18860%0.601CS.*PPolyproline II helixtrans-47117.6170-32.135.9000111.8Y409 G440 L441Y409-P438 HydrophobicContact CD1-CG 4.37Å; Y409-P438 HydrophobicContact CE1-CB 3.92Å; Y409-P438 HydrophobicContact CE1-CG 3.71Å; P438-G440 PolarHBondContact O-N 2.98Å; P438-L441 HydrophobicContact CB-CD1 3.91Å; P438-L441 HydrophobicContact CB-CG 4.29Å; P438-L441 HydrophobicContact CG-CD1 4Å; P438-L441 PolarHBondContact O-N 2.72Å; P438-L441 VanDerWaalsContact O-N 3.16Å
439T49.3Very low44.6Very low153 Ų153103.2 Ų103.294%0.93961%0.611SS**THydrogen-bonded Turntrans-57.8121179.935.40000110.3P437P437-T439 PolarHBondContact O-N 3.07Å; P437-T439 VanDerWaalsContact O-N 3.08Å
440G53.7Low44.1Very low79 Ų79102.2 Ų102.281%0.81460%0.604SS**THydrogen-bonded Turntrans109.3-2.1-175.500000114.9P438P438-G440 PolarHBondContact O-N 2.98Å
441L53.2Low43.3Very low36 Ų36100.8 Ų100.819%0.18861%0.611CS.*PPolyproline II helixtrans-67.4133.8168.8-83.7166.2000111.7F386 Y409 P437 P438F386-L441 HydrophobicContact CD2-CD2 3.98Å; F386-L441 HydrophobicContact CE1-CD2 4.4Å; F386-L441 HydrophobicContact CE2-CD2 3.44Å; F386-L441 VanDerWaalsContact CE2-CD2 3.44Å; F386-L441 HydrophobicContact CZ-CD2 3.67Å; F386-L441 HydrophobicContact CZ-CG 4.46Å; Y409-L441 HydrophobicContact CE1-CD1 4.17Å; Y409-L441 HydrophobicContact CE1-CD2 4.08Å; Y409-L441 HydrophobicContact CE1-CG 4.29Å; P437-L441 HydrophobicContact CB-CD1 4.44Å; P438-L441 HydrophobicContact CB-CD1 3.91Å; P438-L441 HydrophobicContact CB-CG 4.29Å; P438-L441 HydrophobicContact CG-CD1 4Å; P438-L441 PolarHBondContact O-N 2.72Å; P438-L441 VanDerWaalsContact O-N 3.16Å
442P54.1Low42.9Very low88 Ų8898.4 Ų98.457%0.57161%0.611SS**PPolyproline II helixtrans-66.9156.9158.231.7-34.1000109.9
443P52.4Low42.8Very low113 Ų11397.6 Ų97.673%0.73462%0.62SS**PPolyproline II helixtrans-60.4147.6170.627.8-34.7000110.3
444P51.5Low42.7Very low51 Ų51100 Ų10033%0.33163%0.628SS.*PPolyproline II helixtrans-59.3149.4170.627.6-34.4000109.8Y416 N446Y416-P444 HydrophobicContact CD2-CB 4.38Å; Y416-P444 HydrophobicContact CD2-CG 4.02Å; Y416-P444 HydrophobicContact CE1-CB 4.15Å; Y416-P444 HydrophobicContact CE2-CB 3.84Å; Y416-P444 HydrophobicContact CE2-CG 3.53Å; P444-N446 PolarHBondContact O-N 3.28Å
445P52.8Low42.3Very low90 Ų90100 Ų10058%0.58463%0.63SS**PPolyproline II helixtrans-55.9131.7179.624.3-33.9000109.8Y416 I447Y416-P445 PolarHBondContact OH-O 3.07Å; P445-I447 WeakPolarHBondContact O-CG1 3.3Å; P445-I447 PolarHBondContact O-N 2.96Å
446N46.4Very low42Very low148 Ų148101.6 Ų101.679%0.79165%0.647SS**  trans-71.695.7-173.2-174.413.2000110.5P444 A448P444-N446 PolarHBondContact O-N 3.28Å; N446-A448 PolarHBondContact O-N 3.42Å; N446-A448 PolarHBondContact OD1-N 3.34Å
447I41.6Very low41.7Very low103 Ų103101.5 Ų101.553%0.52865%0.654SS.*  trans-76.552.7174.3-42.2-178000110.1Y416 P445 S449Y416-I447 HydrophobicContact CE1-CD1 4.46Å; P445-I447 WeakPolarHBondContact O-CG1 3.3Å; P445-I447 PolarHBondContact O-N 2.96Å; I447-S449 PolarHBondContact O-N 3.05Å
448A34.9Very low40.9Very low64 Ų64106.9 Ų106.953%0.52967%0.672SS.*  trans-7795.7168.800000109N446 S450N446-A448 PolarHBondContact O-N 3.42Å; N446-A448 PolarHBondContact OD1-N 3.34Å; A448-S450 PolarHBondContact O-N 3.45Å
449S31.6Very low40.3Very low115 Ų115111.1 Ų111.180%0.80470%0.702SS**  trans27.475.6153.7-175.20000117I447I447-S449 PolarHBondContact O-N 3.05Å
450S29.8Very low39.6Very low97 Ų97112.1 Ų112.168%0.67869%0.693SS**  trans-132.669.6163.6-169.40000111.4A448 A452A448-S450 PolarHBondContact O-N 3.45Å; S450-A452 PolarHBondContact O-N 3.49Å
451C26.3Very low38.7Very low133 Ų133115.7 Ų115.790%0.89969%0.693SS**  trans-74.364.815939.20000110
452A31Very low37.4Very low65 Ų65120.2 Ų120.254%0.53771%0.713SS.*  trans-148.8120.7179.300000111.3S450S450-A452 PolarHBondContact O-N 3.49Å
453S35.5Very low36.5Very low120 Ų120124.7 Ų124.784%0.83972%0.724SS**  trans47.5139.1144-53.10000122.7
454D31.2Very low35.6Very low150 Ų150126 Ų12680%0.80272%0.72SS**  trans-43.5152.2-176.5-67.6-88.9000120.3V456D454-V456 PolarHBondContact O-N 2.88Å
455P32Very low34.8Very low125 Ų125130.3 Ų130.381%0.81274%0.74SS**  trans-9381.1-174.837.9-36.3000114
456V35.7Very low34.2Very low127 Ų127133.9 Ų133.977%0.7775%0.749SS**  trans-137.6105.7166.9-173.40000112.4D454D454-V456 PolarHBondContact O-N 2.88Å
457L35.9Very low34Very low164 Ų164133.9 Ų133.986%0.85974%0.744SS**  -176.8126.9124.3-100.7174.3000110.7
458Q30.8Very low33.7Very low194 Ų194135.1 Ų135.191%0.90775%0.751SS**  trans-83.7126.3164.3-69.6176-3500109
459S35.9Very low34Very low118 Ų118136.5 Ų136.583%0.82576%0.757SS**  trans-139.9121.9151.159.60000109.4
460K34.8Very low34.4Very low174 Ų174141.3 Ų141.376%0.75776%0.764SS**  trans-96.5118.6174.7179.6-161.9176-148.40107E462K460-E462 WeakPolarHBondContact CE-OE2 3.29Å; K460-E462 IonicContact NZ-OE2 2.67Å; K460-E462 PolarHBondContact NZ-OE2 2.99Å
461L35Very low34.5Very low154 Ų154147.3 Ų147.381%0.80677%0.771SS**  trans-143.5131.7167.9-118.6159.3000109.6F463L461-F463 HydrophobicContact CD2-CD2 4.49Å
462E27Very low34.8Very low132 Ų132148.3 Ų148.362%0.61777%0.767SS**  trans-91.9-166.2179.5-68.5159.461.700109.6K460K460-E462 WeakPolarHBondContact CE-OE2 3.29Å; K460-E462 IonicContact NZ-OE2 2.67Å; K460-E462 PolarHBondContact NZ-OE2 2.99Å
463F34.3Very low34.7Very low182 Ų182150.2 Ų150.280%0.79878%0.775SS**  trans81.8143.6-173.3-55.9-79.8000116.5L461L461-F463 HydrophobicContact CD2-CD2 4.49Å
464H33.9Very low34.7Very low141 Ų141152 Ų15265%0.65377%0.774SS**  cis-178.1142-36.4-119.9102.1000106.9
465N35Very low34.6Very low141 Ų141149.8 Ų149.875%0.75477%0.77SS**  trans66.1165.3171.8-47.4-43.3000114.7
466H39.3Very low34.6Very low165 Ų165149.4 Ų149.476%0.76477%0.771SS**  cis-148.8176.78-156.533.9000113.3
467H41.7Very low34.8Very low148 Ų148149.3 Ų149.369%0.68578%0.776SS**  trans-50.5168.6174.1-81.8-111.9000116.6
468D36.9Very low34.9Very low128 Ų128150.2 Ų150.268%0.68478%0.775SS**  cis-154.6-178.2-8.1-141.6-46.8000111.9
469S39.3Very low35.1Very low94 Ų94145.6 Ų145.666%0.65777%0.765SS**  trans-72.5154.8170.3-35.60000114.4
470K41.1Very low35.3Very low215 Ų215146.3 Ų146.394%0.93576%0.759SS**  trans-140.2133.9131.1-74.9-158.9177-1790111.6
471R31.9Very low35.5Very low223 Ų223146.4 Ų146.484%0.84276%0.761SS**  trans-84.9167161.7-66.7177.5169.4-161.1-0.4109.1
472L33.2Very low35.5Very low154 Ų154142 Ų14281%0.80675%0.752SS**  -149.7139.4128.9-115167.7000111.3I474L472-I474 HydrophobicContact CD2-CD1 4.45Å; L472-I474 HydrophobicContact CD2-CG1 4.02Å
473C28.6Very low36.2Very low105 Ų105144.3 Ų144.371%0.70977%0.767SS**  trans-135.3136.8168.8-50.50000106
474I34.2Very low36.2Very low158 Ų158140.1 Ų140.181%0.8176%0.761SS**  trans-138.2139.9167-24.5177.7000108.6L472L472-I474 HydrophobicContact CD2-CD1 4.45Å; L472-I474 HydrophobicContact CD2-CG1 4.02Å
475S29.4Very low36.7Very low103 Ų103139.4 Ų139.472%0.7277%0.766SS**  trans-132.8153.1-179.7-59.10000109.1
476S32.5Very low37.1Very low118 Ų118138 Ų13883%0.82576%0.763SS**  trans61.4126.5155.3-520000119.1
477S40.8Very low37.1Very low125 Ų125137.1 Ų137.187%0.87476%0.763SS**  trans-140.9148.613851.50000109.2
478E36.8Very low37Very low182 Ų182138.1 Ų138.185%0.8577%0.768SS**  trans-117175.9-179.8-66.8-177.494.400110.3
479S35.5Very low37.4Very low98 Ų98136.6 Ų136.669%0.68576%0.764SS**  trans79.5105.2155.7-76.10000121
480L40.7Very low37.1Very low133 Ų133139.8 Ų139.870%0.69677%0.769SS**  86.7144.7120.3-66.8169.6000120.9
481H38.2Very low37.3Very low176 Ų176137.3 Ų137.382%0.81576%0.76SS**  trans66.8135.1170.9-34.8108.7000114.8
482G35.2Very low37.8Very low60 Ų60131.4 Ų131.462%0.61975%0.753SS**  cis160.5161.6-200000109.4
483I42.6Very low38.1Very low181 Ų181131 Ų13193%0.92875%0.752SS**  trans56156.5178.563.9165.3000116.8
484S33.8Very low38.6Very low94 Ų94137.2 Ų137.266%0.65776%0.761SS**  cis-167.6174.5-34.7-175.10000107.4
485T43.3Very low38.9Very low126 Ų126135.2 Ų135.277%0.77376%0.761SS**  trans71.8148.5165.978.90000116
486V43.4Very low39.5Very low112 Ų112136 Ų13668%0.67977%0.766SS**  cis-160.1134-4.9107.50000111.7
487L40.8Very low39.6Very low146 Ų146135.9 Ų135.976%0.76477%0.765SS**  trans58.4161.6155.3-47.3176.2000118.7
488H39.9Very low39.7Very low170 Ų170135.4 Ų135.479%0.78776%0.759SS**  cis-145.6166.6-5.7-136.6-141000111.3
489P44.3Very low39.8Very low95 Ų95132.5 Ų132.562%0.61776%0.759SS**  trans-120.1-168.1-159.444.1-34.4000117
490E33.5Very low40Very low162 Ų162135.4 Ų135.476%0.75777%0.767SS**  trans80.7161.6169.5-52.5-137.1125.700117.5
491H44.6Very low40.2Very low162 Ų162134.7 Ų134.775%0.7577%0.768SS**  cis-140.6151.611.1-42-98.3000115.5
492S42.5Very low40.5Very low99 Ų99135.6 Ų135.669%0.69277%0.77SS**  trans27.1122.2143.5-102.20000124.2
493N39.5Very low40.5Very low147 Ų147140 Ų14079%0.78678%0.779SS**  77.2142.9123.4-81.2-47.4000124.9
494R39.7Very low40.5Very low235 Ų235138.8 Ų138.889%0.88777%0.774SS**  trans71.4105.5152.5-82.4-174.8168-165.7-3.1122.1
495S40.1Very low40.8Very low116 Ų116139.8 Ų139.881%0.81178%0.776SS**  60.591.8114.9-178.40000121.1
496S41.8Very low40.7Very low119 Ų119139.2 Ų139.283%0.83278%0.777SS**  trans-165.1138.6139.155.50000113.1
497S33.8Very low40.4Very low115 Ų115139.3 Ų139.380%0.80477%0.773SS**  trans-85.6179.3164.1-49.20000110.7
498P42.9Very low40.1Very low116 Ų116136 Ų13675%0.75377%0.774SS**  cis-122.5164-46.535.8-23000111.5
499S40.2Very low40.3Very low121 Ų121131.6 Ų131.685%0.84676%0.763SS**  trans-158.8152.2166.7-76.20000113.2
500D40.1Very low40.8Very low159 Ų159134.2 Ų134.285%0.8577%0.765SS**  trans-67.3141.2-172.7-57.4-98.6000115.4
501T44.5Very low41.8Very low117 Ų117130.7 Ų130.772%0.71876%0.758SS**  trans-139.7103.3160.253.20000113.8
502K43.8Very low42.6Very low196 Ų196128.7 Ų128.785%0.85275%0.753SS**  trans62.4114144.59.4-170.8176.2-1750118.4
503N35.4Very low43.7Very low153 Ų153126 Ų12682%0.81873%0.73SS**  trans-114116.9179.6173.624000110.9
504L42.2Very low44.8Very low155 Ų155122.2 Ų122.281%0.81272%0.715SS**  trans-146.5141.7160.6-70.699.4000106.2
505T40.8Very low46.3Very low115 Ų115115 Ų11571%0.70670%0.701SS**SBendcis-137.1149.331.550.60000114.5
506S41Very low48.3Very low113 Ų113110 Ų11079%0.7967%0.667SS**  trans48.392.6152.462.80000118.4
507D36.6Very low50.7Low114 Ų114108.4 Ų108.461%0.6165%0.645SS**  trans-83.9151.5147.4-154.4-11.3000109.6K510D507-K510 WeakPolarHBondContact OD1-CG 3.32Å; D507-K510 IonicContact OD1-NZ 2.71Å; D507-K510 PolarHBondContact OD1-NZ 3.39Å; D507-K510 IonicContact OD2-NZ 2.65Å; D507-K510 PolarHBondContact OD2-NZ 3.01Å
508G35.1Very low53.5Low76 Ų76105.6 Ų105.678%0.78462%0.618SS**  trans179.25.8-17300000121
509S44.8Very low55.9Low79 Ų79100.1 Ų100.155%0.55258%0.582SS**  trans-159.525.2179.9570000115.6S511S509-S511 PolarHBondContact O-N 3.41Å
510K54.9Low58.4Low149 Ų14997 Ų9765%0.64855%0.552SS**  trans-75.5-11-162.6-90.1-165.1-17878.90118.7D507D507-K510 WeakPolarHBondContact OD1-CG 3.32Å; D507-K510 IonicContact OD1-NZ 2.71Å; D507-K510 PolarHBondContact OD1-NZ 3.39Å; D507-K510 IonicContact OD2-NZ 2.65Å; D507-K510 PolarHBondContact OD2-NZ 3.01Å
511S53Low61Low88 Ų8889.5 Ų89.562%0.61551%0.512SS*.SBendtrans-66.5-55.4-168.348.80000113.9S509 S514S509-S511 PolarHBondContact O-N 3.41Å; S511-S514 PolarHBondContact O-OG 3.36Å
512D60.9Low63.2Low120 Ų12084.9 Ų84.964%0.64248%0.484SS*.G310 helixtrans-86.4-30.9-157.3-60.912.2000112.8S514 S515D512-S514 PolarHBondContact O-N 3.06Å; D512-S514 VanDerWaalsContact O-N 3.15Å; D512-S515 PolarHBondContact O-N 2.98Å; D512-S515 PolarHBondContact O-OG 2.94Å
513L65.9Low65.4Low42 Ų4278.4 Ų78.422%0.2246%0.459CS..G310 helixtrans-62.8-21.7-177.7-68.2177.5000113.6S515 S516 Q592 N594L513-S515 PolarHBondContact O-N 3.04Å; L513-S515 VanDerWaalsContact O-N 3.13Å; L513-S516 VanDerWaalsContact O-CB 3.28Å; L513-S516 WeakPolarHBondContact O-CB 3.48Å; L513-S516 PolarHBondContact O-N 2.65Å; L513-Q592 HydrophobicContact CB-CB 4.34Å; L513-Q592 PolarHBondContact O-NE2 3.47Å; L513-Q592 VanDerWaalsContact O-NE2 3.16Å; L513-Q592 PolarHBondContact O-OE1 3.33Å; L513-N594 WeakPolarHBondContact CD2-OD1 3.33Å
514S63.9Low68Low68 Ų6871.2 Ų71.248%0.47642%0.42SS..G310 helixtrans-53.6-32.3179.460.40000113.2S511 D512 V572 Q592S511-S514 PolarHBondContact O-OG 3.36Å; D512-S514 PolarHBondContact O-N 3.06Å; D512-S514 VanDerWaalsContact O-N 3.15Å; S514-V572 WeakPolarHBondContact O-CG2 3.35Å; S514-Q592 PolarHBondContact O-NE2 3.43Å
515S70.5Confident70.1Confident83 Ų8364.7 Ų64.758%0.5839%0.387SS*.G310 helixtrans-82.5-9.117968.70000114.8D512 L513 S568D512-S515 PolarHBondContact O-N 2.98Å; D512-S515 PolarHBondContact O-OG 2.94Å; L513-S515 PolarHBondContact O-N 3.04Å; L513-S515 VanDerWaalsContact O-N 3.13Å; S515-S568 WeakPolarHBondContact O-CB 3.39Å
516S82.9Confident72.2Confident13 Ų1366.4 Ų66.49%0.09139%0.387CS..  trans-73.4133.5-169.3-173.20000113.3L513 F518 A571 Q592 I593L513-S516 VanDerWaalsContact O-CB 3.28Å; L513-S516 WeakPolarHBondContact O-CB 3.48Å; L513-S516 PolarHBondContact O-N 2.65Å; S516-F518 VanDerWaalsContact C-N 3.27Å; S516-F518 PolarHBondContact OG-N 2.92Å; S516-F518 VanDerWaalsContact OG-N 3.1Å; S516-A571 WeakPolarHBondContact O-CB 3.48Å; S516-Q592 PolarHBondContact O-NE2 2.9Å; S516-Q592 VanDerWaalsContact O-NE2 3.1Å; S516-I593 WeakPolarHBondContact CB-O 3.46Å; S516-I593 PolarHBondContact OG-O 2.82Å
517K91.8Very high74.3Confident85 Ų8563.7 Ų63.737%0.3738%0.378SS..  trans-77.1-11.2169-58.9-169.6-177.4-168.50113.5M565 E566K517-M565 WeakPolarHBondContact CD-O 3.31Å; K517-M565 PolarHBondContact O-N 3.46Å; K517-E566 WeakPolarHBondContact CE-O 3.29Å; K517-E566 PolarHBondContact NZ-O 3.34Å
518F92.8Very high76.8Confident56 Ų5659 Ų5925%0.24635%0.353CS..EExtended strand (participates in β ladder)trans-97.8129.6-171.2-60.5-102.9000110.3S516 I564 I593 P595S516-F518 VanDerWaalsContact C-N 3.27Å; S516-F518 PolarHBondContact OG-N 2.92Å; S516-F518 VanDerWaalsContact OG-N 3.1Å; F518-I564 HydrophobicContact CD1-CD1 3.9Å; F518-I564 HydrophobicContact CD1-CG1 3.78Å; F518-I564 HydrophobicContact CE1-CD1 3.58Å; F518-I564 HydrophobicContact CE1-CG1 3.96Å; F518-I564 HydrophobicContact CE1-CG2 4.47Å; F518-I593 HydrophobicContact CB-CD1 4.28Å; F518-I593 HydrophobicContact CB-CG1 3.79Å; F518-I593 WeakPolarHBondContact O-CG1 3.39Å; F518-I593 PolarHBondContact O-N 3.34Å; F518-P595 HydrophobicContact CD2-CB 3.93Å; F518-P595 HydrophobicContact CE1-CB 4.28Å; F518-P595 HydrophobicContact CE2-CB 3.59Å; F518-P595 HydrophobicContact CG-CB 4.44Å; F518-P595 HydrophobicContact CZ-CB 3.78Å
519L93.4Very high79.5Confident0 Ų062.7 Ų62.70%034%0.343CS..EExtended strand (participates in β ladder)trans-130.1144.6-172.7-64.7176.5000111.1Y562 L563 M565 A571 L574 V575 I590 K591 Q592L519-Y562 WeakPolarHBondContact O-CA 3.42Å; L519-L563 HydrophobicContact CB-CB 4.08Å; L519-L563 HydrophobicContact CB-CD2 4.35Å; L519-L563 HydrophobicContact CB-CG 4.37Å; L519-L563 HydrophobicContact CD1-CD2 3.9Å; L519-L563 HydrophobicContact CD1-CG 4.4Å; L519-L563 PolarHBondContact N-O 3.37Å; L519-L563 PolarHBondContact O-N 3.3Å; L519-M565 HydrophobicContact CD1-CG 3.91Å; L519-A571 HydrophobicContact CD1-CB 3.98Å; L519-A571 HydrophobicContact CD2-CB 4.24Å; L519-A571 HydrophobicContact CG-CB 4.17Å; L519-L574 HydrophobicContact CD1-CD2 3.59Å; L519-L574 HydrophobicContact CD1-CG 4.36Å; L519-V575 HydrophobicContact CD1-CG2 4.49Å; L519-V575 HydrophobicContact CD2-CG2 3.4Å; L519-V575 VanDerWaalsContact CD2-CG2 3.4Å; L519-I590 HydrophobicContact CB-CG2 4.39Å; L519-I590 HydrophobicContact CD2-CG2 4.2Å; L519-K591 WeakPolarHBondContact CA-O 2.98Å; L519-Q592 HydrophobicContact CD2-CB 4.4Å; L519-Q592 HydrophobicContact CD2-CG 3.58Å
520W93.2Very high81.8Confident57 Ų5761 Ų6122%0.21633%0.334CS..EExtended strand (participates in β ladder)trans-117.1116.2170.7170.9-108.9000109Y560 Y562 I590 K591 I593W520-Y560 AromaticContact CE2-CD1 3.83Å; W520-Y560 AromaticContact CH2-CD1 3.85Å; W520-Y560 HydrophobicContact CH2-CD1 3.85Å; W520-Y560 HydrophobicContact CH2-CD2 4.25Å; W520-Y560 AromaticContact CH2-CG 3.52Å; W520-Y560 HydrophobicContact CH2-CG 3.52Å; W520-Y560 AromaticContact CZ2-CD1 3.26Å; W520-Y560 HydrophobicContact CZ2-CD1 3.26Å; W520-Y560 HydrophobicContact CZ2-CD2 4.38Å; W520-Y560 HydrophobicContact CZ2-CE1 4.05Å; W520-Y560 AromaticContact CZ2-CG 3.48Å; W520-Y560 HydrophobicContact CZ2-CG 3.48Å; W520-Y560 VanDerWaalsContact CZ2-CG 3.48Å; W520-Y560 HydrophobicContact CZ3-CG 4.34Å; W520-Y562 HydrophobicContact CD2-CE1 4.25Å; W520-Y562 AromaticContact CE3-CD1 3.57Å; W520-Y562 HydrophobicContact CE3-CD1 3.57Å; W520-Y562 HydrophobicContact CE3-CD2 4.24Å; W520-Y562 AromaticContact CE3-CE1 3.34Å; W520-Y562 HydrophobicContact CE3-CE1 3.34Å; W520-Y562 HydrophobicContact CE3-CE2 4.07Å; W520-Y562 HydrophobicContact CE3-CG 4.02Å; W520-Y562 AromaticContact CE3-CZ 3.61Å; W520-Y562 HydrophobicContact CH2-CE2 4.45Å; W520-Y562 HydrophobicContact CZ3-CD1 4.05Å; W520-Y562 AromaticContact CZ3-CD2 3.95Å; W520-Y562 HydrophobicContact CZ3-CD2 3.95Å; W520-Y562 AromaticContact CZ3-CE1 3.6Å; W520-Y562 HydrophobicContact CZ3-CE1 3.6Å; W520-Y562 AromaticContact CZ3-CE2 3.5Å; W520-Y562 HydrophobicContact CZ3-CE2 3.5Å; W520-Y562 HydrophobicContact CZ3-CG 4.21Å; W520-Y562 AromaticContact CZ3-CZ 3.3Å; W520-I590 CarbonylContact O-C 3.54Å; W520-I590 VanDerWaalsContact O-CA 3.3Å; W520-I590 WeakPolarHBondContact O-CA 3.35Å; W520-K591 PolarHBondContact N-O 3.03Å; W520-K591 PolarHBondContact O-N 3.44Å; W520-I593 HydrophobicContact CB-CD1 4.34Å; W520-I593 HydrophobicContact CB-CG2 3.75Å
521I93.1Very high83.7Confident0 Ų057.5 Ų57.50%033%0.325CS..EExtended strand (participates in β ladder)trans-98.8129.6172.9-51.6-177.5000108.1L524 I533 M536 Y560 A561 L563 I590I521-L524 HydrophobicContact CB-CD1 4.33Å; I521-L524 HydrophobicContact CG2-CD1 4.08Å; I521-L524 HydrophobicContact CG2-CD2 3.9Å; I521-L524 HydrophobicContact CG2-CG 3.9Å; I521-I533 HydrophobicContact CD1-CG2 4.1Å; I521-M536 HydrophobicContact CD1-CE 4.36Å; I521-Y560 CarbonylContact O-C 3.21Å; I521-Y560 VanDerWaalsContact O-CA 3.3Å; I521-Y560 WeakPolarHBondContact O-CA 3.42Å; I521-A561 HydrophobicContact CB-CB 4.45Å; I521-A561 PolarHBondContact N-O 3.26Å; I521-A561 PolarHBondContact O-N 3.03Å; I521-L563 HydrophobicContact CD1-CD2 3.95Å; I521-I590 HydrophobicContact CD1-CD1 4.16Å; I521-I590 HydrophobicContact CG1-CD1 4.06Å; I521-I590 HydrophobicContact CG1-CG1 4.06Å; I521-I590 HydrophobicContact CG1-CG2 4.25Å; I521-I590 HydrophobicContact CG2-CG1 4.25Å
522S91.4Very high85.6Confident21 Ų2154.7 Ų54.715%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-127.3161179.962.10000111.8K589S522-K589 PolarHBondContact N-O 3.32Å; S522-K589 PolarHBondContact O-N 3.01Å; S522-K589 VanDerWaalsContact O-N 3.07Å; S522-K589 WeakPolarHBondContact OG-CB 3.46Å; S522-K589 PolarHBondContact OG-O 3.1Å
523N89.6Confident87.1Confident59 Ų5949 Ų4932%0.31627%0.273SS..EExtended strand (participates in β ladder)trans68.527.1-173.1-157.135.9000114.8N586 E587N523-N586 VanDerWaalsContact O-CB 3.26Å; N523-N586 WeakPolarHBondContact O-CB 3.07Å; N523-N586 PolarHBondContact O-ND2 2.67Å; N523-E587 WeakPolarHBondContact CB-O 3.32Å; N523-E587 PolarHBondContact ND2-O 3.48Å
524L90.1Very high88.4Confident2 Ų253 Ų531%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-67.5135.1175.2-68.6160.9000110.4I521 V528 I533 I559 A561 L588I521-L524 HydrophobicContact CB-CD1 4.33Å; I521-L524 HydrophobicContact CG2-CD1 4.08Å; I521-L524 HydrophobicContact CG2-CD2 3.9Å; I521-L524 HydrophobicContact CG2-CG 3.9Å; L524-V528 HydrophobicContact CD2-CG1 4.29Å; L524-I533 HydrophobicContact CD1-CD1 3.74Å; L524-I533 HydrophobicContact CD2-CD1 4.42Å; L524-I533 HydrophobicContact CD2-CG1 4.49Å; L524-I559 HydrophobicContact CB-CB 4Å; L524-I559 HydrophobicContact CB-CG2 4.14Å; L524-I559 WeakPolarHBondContact CB-O 3.43Å; L524-I559 HydrophobicContact CD1-CG2 4.34Å; L524-I559 PolarHBondContact N-O 2.99Å; L524-I559 PolarHBondContact O-N 3.08Å; L524-A561 HydrophobicContact CD1-CB 3.65Å; L524-L588 HydrophobicContact CD2-CD2 3.76Å; L524-L588 HydrophobicContact CG-CD2 4.37Å
525P86.7Confident89.8Confident18 Ų1856 Ų5612%0.11730%0.295CS..  trans-67.8152.2179.121.3-26.1000112.4G527 V528 F583P525-G527 PolarHBondContact O-N 3.4Å; P525-V528 HydrophobicContact CG-CG2 3.75Å; P525-V528 WeakPolarHBondContact O-CG2 3.27Å; P525-V528 PolarHBondContact O-N 3.2Å; P525-F583 HydrophobicContact CG-CD1 3.86Å; P525-F583 HydrophobicContact CG-CE1 4.41Å
526Q83.9Confident90.8Very high151 Ų15153.3 Ų53.371%0.70627%0.274SS*.THydrogen-bonded Turntrans-66.7115.8-178.1-173.5-178.7-0.200110.6
527G85.6Confident91.3Very high57 Ų5752.7 Ų52.759%0.58827%0.269SS*.THydrogen-bonded Turntrans124-16.3-178.900000114.1P525 R529P525-G527 PolarHBondContact O-N 3.4Å; G527-R529 PolarHBondContact O-N 3.41Å
528V89.8Confident91.4Very high16 Ų1651.6 Ų51.610%0.09728%0.276CS..  trans-63.1132.4177.3175.20000111.8L524 P525 D532 I533 F583L524-V528 HydrophobicContact CD2-CG1 4.29Å; P525-V528 HydrophobicContact CG-CG2 3.75Å; P525-V528 WeakPolarHBondContact O-CG2 3.27Å; P525-V528 PolarHBondContact O-N 3.2Å; V528-D532 HydrophobicContact CG1-CB 4.41Å; V528-I533 HydrophobicContact CG1-CD1 3.96Å; V528-I533 HydrophobicContact CG1-CG1 3.52Å; V528-F583 HydrophobicContact CG2-CD1 4.26Å; V528-F583 HydrophobicContact CG2-CE1 3.72Å
529R91.8Very high91.4Very high153 Ų15353.7 Ų53.758%0.57730%0.295SS*.  trans-110.6167.6-179.8-52.4168.7-59.7167.98.8110.3G527 V531 D532 I533G527-R529 PolarHBondContact O-N 3.41Å; R529-V531 PolarHBondContact O-N 3.09Å; R529-D532 WeakPolarHBondContact CB-OD2 3.35Å; R529-D532 IonicContact CZ-OD1 3.29Å; R529-D532 PolarHBondContact N-OD2 3.3Å; R529-D532 IonicContact NE-OD1 2.77Å; R529-D532 PolarHBondContact NE-OD1 3.24Å; R529-D532 VanDerWaalsContact NE-OD1 3.16Å; R529-D532 IonicContact NE-OD2 3.14Å; R529-D532 PolarHBondContact NE-OD2 3.25Å; R529-D532 IonicContact NH2-OD1 2.72Å; R529-D532 PolarHBondContact NH2-OD1 2.88Å; R529-D532 PolarHBondContact O-N 2.85Å; R529-I533 PolarHBondContact O-N 2.93Å
530A92.7Very high91.4Very high44 Ų4456.8 Ų56.836%0.36431%0.307SS..Hα-helixtrans-63.4-26.1179.800000113.1K534 I546 I548A530-K534 VanDerWaalsContact O-CB 3.29Å; A530-K534 WeakPolarHBondContact O-CB 3.47Å; A530-K534 PolarHBondContact O-N 3.24Å; A530-I546 HydrophobicContact CB-CB 4.17Å; A530-I546 HydrophobicContact CB-CD1 4.36Å; A530-I546 HydrophobicContact CB-CG2 4.02Å; A530-I546 WeakPolarHBondContact O-CD1 3.34Å; A530-I548 HydrophobicContact CB-CD1 4.3Å; A530-I548 VanDerWaalsContact N-CD1 3.31Å
531V93.9Very high91.4Very high75 Ų7555 Ų5546%0.45531%0.306SS..Hα-helixtrans-63.4-54.6174.6-179.10000110.3R529 I533 K534 E535R529-V531 PolarHBondContact O-N 3.09Å; V531-I533 VanDerWaalsContact C-N 3.29Å; V531-I533 PolarHBondContact O-N 3.48Å; V531-K534 WeakPolarHBondContact O-CA 3.43Å; V531-K534 VanDerWaalsContact O-CB 3.31Å; V531-K534 WeakPolarHBondContact O-CB 3.42Å; V531-K534 PolarHBondContact O-N 2.98Å; V531-E535 WeakPolarHBondContact CG1-OE1 3.23Å; V531-E535 PolarHBondContact O-N 2.98Å
532D93.2Very high91.4Very high29 Ų2961.3 Ų61.316%0.15533%0.334CS..Hα-helixtrans-62.3-36.6-176.2-24-36.6000111.3V528 R529 M536V528-D532 HydrophobicContact CG1-CB 4.41Å; R529-D532 WeakPolarHBondContact CB-OD2 3.35Å; R529-D532 IonicContact CZ-OD1 3.29Å; R529-D532 PolarHBondContact N-OD2 3.3Å; R529-D532 IonicContact NE-OD1 2.77Å; R529-D532 PolarHBondContact NE-OD1 3.24Å; R529-D532 VanDerWaalsContact NE-OD1 3.16Å; R529-D532 IonicContact NE-OD2 3.14Å; R529-D532 PolarHBondContact NE-OD2 3.25Å; R529-D532 IonicContact NH2-OD1 2.72Å; R529-D532 PolarHBondContact NH2-OD1 2.88Å; R529-D532 PolarHBondContact O-N 2.85Å; D532-M536 WeakPolarHBondContact O-CB 3.27Å; D532-M536 PolarHBondContact O-N 2.7Å; D532-M536 VanDerWaalsContact O-N 3.14Å
533I93Very high91.6Very high1 Ų161.3 Ų61.31%0.00533%0.333CS..Hα-helixtrans-66.3-42.4170.9-59.6178.4000111.4I521 L524 V528 R529 V531 E535 M536 C537 I546 I548 A561I521-I533 HydrophobicContact CD1-CG2 4.1Å; L524-I533 HydrophobicContact CD1-CD1 3.74Å; L524-I533 HydrophobicContact CD2-CD1 4.42Å; L524-I533 HydrophobicContact CD2-CG1 4.49Å; V528-I533 HydrophobicContact CG1-CD1 3.96Å; V528-I533 HydrophobicContact CG1-CG1 3.52Å; R529-I533 PolarHBondContact O-N 2.93Å; V531-I533 VanDerWaalsContact C-N 3.29Å; V531-I533 PolarHBondContact O-N 3.48Å; I533-E535 VanDerWaalsContact C-N 3.34Å; I533-E535 PolarHBondContact O-N 3.42Å; I533-M536 HydrophobicContact CG2-CE 4.44Å; I533-M536 PolarHBondContact O-N 3.13Å; I533-C537 WeakPolarHBondContact O-CB 3.25Å; I533-C537 PolarHBondContact O-N 2.9Å; I533-C537 PolarHBondContact O-SG 2.65Å; I533-I546 HydrophobicContact CB-CD1 4.31Å; I533-I546 HydrophobicContact CD1-CG2 4.36Å; I533-I546 HydrophobicContact CG2-CD1 4.24Å; I533-I546 HydrophobicContact CG2-CG2 4.49Å; I533-I548 HydrophobicContact CD1-CD1 3.65Å; I533-I548 HydrophobicContact CD1-CG1 3.92Å; I533-A561 HydrophobicContact CD1-CB 3.61Å
534K93.9Very high91.8Very high124 Ų12464.6 Ų64.654%0.53935%0.346SS..Hα-helixtrans-62.7-41.7179.7-172.6-177.1176.2-172.70111.4A530 V531 C537 A538 V543 I546A530-K534 VanDerWaalsContact O-CB 3.29Å; A530-K534 WeakPolarHBondContact O-CB 3.47Å; A530-K534 PolarHBondContact O-N 3.24Å; V531-K534 WeakPolarHBondContact O-CA 3.43Å; V531-K534 VanDerWaalsContact O-CB 3.31Å; V531-K534 WeakPolarHBondContact O-CB 3.42Å; V531-K534 PolarHBondContact O-N 2.98Å; K534-C537 PolarHBondContact O-N 3.4Å; K534-A538 WeakPolarHBondContact O-CB 3.31Å; K534-A538 PolarHBondContact O-N 2.98Å; K534-V543 HydrophobicContact CG-CB 4.44Å; K534-V543 HydrophobicContact CG-CG2 4.44Å; K534-I546 HydrophobicContact CB-CD1 3.76Å; K534-I546 HydrophobicContact CG-CD1 4.5Å
535E93.7Very high91.9Very high131 Ų13167.5 Ų67.561%0.61236%0.364SS*.Hα-helixtrans-63.2-45.7176-71.6170.2-172.400111.2V531 I533 C537 A538 P539V531-E535 WeakPolarHBondContact CG1-OE1 3.23Å; V531-E535 PolarHBondContact O-N 2.98Å; I533-E535 VanDerWaalsContact C-N 3.34Å; I533-E535 PolarHBondContact O-N 3.42Å; E535-C537 VanDerWaalsContact C-N 3.27Å; E535-C537 PolarHBondContact O-N 3.39Å; E535-A538 WeakPolarHBondContact O-CB 3.48Å; E535-A538 PolarHBondContact O-N 2.75Å; E535-P539 WeakPolarHBondContact O-CD 3.33Å
536M91.1Very high92.2Very high28 Ų2868.3 Ų68.314%0.13837%0.368CS..Hα-helixtrans-61.4-31.8174.4-175.3-177.56300113.3I521 D532 I533 L578 F583 L588I521-M536 HydrophobicContact CD1-CE 4.36Å; D532-M536 WeakPolarHBondContact O-CB 3.27Å; D532-M536 PolarHBondContact O-N 2.7Å; D532-M536 VanDerWaalsContact O-N 3.14Å; I533-M536 HydrophobicContact CG2-CE 4.44Å; I533-M536 PolarHBondContact O-N 3.13Å; M536-L578 HydrophobicContact CE-CD1 3.95Å; M536-L578 HydrophobicContact CG-CD1 3.68Å; M536-L578 HydrophobicContact CG-CD2 4.08Å; M536-L578 HydrophobicContact SD-CD1 3.98Å; M536-L578 HydrophobicContact SD-CD2 4.48Å; M536-F583 HydrophobicContact SD-CD2 3.65Å; M536-F583 HydrophobicContact SD-CE2 4.04Å; M536-F583 HydrophobicContact SD-CG 4.39Å; M536-L588 HydrophobicContact CE-CD1 3.72Å; M536-L588 HydrophobicContact SD-CD1 3.44Å; M536-L588 WeakPolarHBondContact SD-CD1 3.46Å
537C92.7Very high92.6Very high0 Ų064.5 Ų64.50%035%0.349CS..Hα-helixtrans-86.8-23.7179.1-61.30000113.9I533 K534 E535 P539 Y540 G541 V543 L574I533-C537 WeakPolarHBondContact O-CB 3.25Å; I533-C537 PolarHBondContact O-N 2.9Å; I533-C537 PolarHBondContact O-SG 2.65Å; K534-C537 PolarHBondContact O-N 3.4Å; E535-C537 VanDerWaalsContact C-N 3.27Å; E535-C537 PolarHBondContact O-N 3.39Å; C537-P539 VanDerWaalsContact C-CD 3.47Å; C537-Y540 PolarHBondContact O-N 3.45Å; C537-G541 PolarHBondContact O-N 3.14Å; C537-V543 HydrophobicContact CB-CG2 3.62Å; C537-L574 HydrophobicContact CB-CD1 4.06Å; C537-L574 HydrophobicContact CB-CD2 4.09Å
538A93.5Very high92.9Very high61 Ų6164.5 Ų64.550%0.50434%0.335SS..THydrogen-bonded Turntrans-50.6-43.7-173.900000115.9K534 E535 Y540 G541K534-A538 WeakPolarHBondContact O-CB 3.31Å; K534-A538 PolarHBondContact O-N 2.98Å; E535-A538 WeakPolarHBondContact O-CB 3.48Å; E535-A538 PolarHBondContact O-N 2.75Å; A538-Y540 PolarHBondContact O-N 2.92Å; A538-G541 PolarHBondContact O-N 3.23Å
539P93.3Very high92.9Very high101 Ų10166.6 Ų66.666%0.65635%0.347SS*.THydrogen-bonded Turntrans-68.4-14-179.125.4-33.7000114.2E535 C537E535-P539 WeakPolarHBondContact O-CD 3.33Å; C537-P539 VanDerWaalsContact C-CD 3.47Å
540Y93.9Very high92.7Very high64 Ų6461.7 Ų61.725%0.25134%0.344SS..THydrogen-bonded Turntrans-98.1-22.4179.6-52-75.8000112.9C537 A538 A570 R573 L574 A577 L578C537-Y540 PolarHBondContact O-N 3.45Å; A538-Y540 PolarHBondContact O-N 2.92Å; Y540-A570 WeakPolarHBondContact O-CB 3.36Å; Y540-R573 PolarHBondContact O-NH2 3.24Å; Y540-L574 HydrophobicContact CD2-CD1 3.24Å; Y540-L574 HydrophobicContact CE2-CD1 3.94Å; Y540-L574 HydrophobicContact CG-CB 4.29Å; Y540-L574 HydrophobicContact CG-CD1 3.77Å; Y540-A577 HydrophobicContact CD1-CB 3.98Å; Y540-A577 HydrophobicContact CE1-CB 3.19Å; Y540-L578 HydrophobicContact CE2-CD1 4.35Å; Y540-L578 HydrophobicContact CE2-CD2 4.01Å; Y540-L578 HydrophobicContact CE2-CG 4Å
541G92.7Very high92Very high19 Ų1961.3 Ų61.320%0.19634%0.339CS..  trans159.2175.5171.800000113.3C537 A538 M565C537-G541 PolarHBondContact O-N 3.14Å; A538-G541 PolarHBondContact O-N 3.23Å; G541-M565 WeakPolarHBondContact O-CE 3.33Å
542K94.1Very high91.1Very high133 Ų13367.7 Ų67.758%0.57836%0.36SS*.  trans-74.2131.2-179.7179.5164.8151.5-1340111.4E566K542-E566 HydrophobicContact CB-CB 4.28Å; K542-E566 WeakPolarHBondContact CB-OE2 3.12Å; K542-E566 VanDerWaalsContact CD-OE2 3.3Å; K542-E566 WeakPolarHBondContact CD-OE2 3.49Å; K542-E566 WeakPolarHBondContact CE-OE1 3.44Å; K542-E566 IonicContact NZ-OE1 2.72Å; K542-E566 PolarHBondContact NZ-OE1 2.89Å; K542-E566 IonicContact NZ-OE2 3.77Å; K542-E566 PolarHBondContact NZ-OE2 3.25Å; K542-E566 WeakPolarHBondContact O-CB 3.34Å; K542-E566 PolarHBondContact O-N 2.82Å
543V94.4Very high90Very high22 Ų2275.8 Ų75.813%0.13339%0.394CS..EExtended strand (participates in β ladder)trans-86.6129.3175.91780000110K534 C537 I546 L563 M565K534-V543 HydrophobicContact CG-CB 4.44Å; K534-V543 HydrophobicContact CG-CG2 4.44Å; C537-V543 HydrophobicContact CB-CG2 3.62Å; V543-I546 HydrophobicContact CG1-CD1 3.91Å; V543-I546 HydrophobicContact CG1-CG1 3.5Å; V543-I546 VanDerWaalsContact CG1-CG1 3.5Å; V543-L563 HydrophobicContact CB-CD1 4.24Å; V543-L563 HydrophobicContact CG1-CD1 3.33Å; V543-L563 HydrophobicContact CG2-CD1 3.92Å; V543-M565 HydrophobicContact CG2-CE 4.4Å; V543-M565 HydrophobicContact CG2-SD 3.95Å
544Q93.2Very high88.9Confident127 Ų12777.4 Ų77.459%0.59341%0.406SS*.EExtended strand (participates in β ladder)trans-87.7-40.7176.1-172.1176.524.100112.2I564Q544-I564 HydrophobicContact CB-CB 4.43Å; Q544-I564 HydrophobicContact CB-CG2 4.22Å; Q544-I564 PolarHBondContact N-O 2.86Å
545T92.1Very high87.9Confident63 Ų6381.2 Ų81.239%0.38742%0.422SS..EExtended strand (participates in β ladder)trans-155.3144.1-177.4-58.40000111.2I564T545-I564 PolarHBondContact N-O 3.31Å; T545-I564 PolarHBondContact O-N 3.33Å
546I93.8Very high86.8Confident36 Ų3680 Ų8019%0.18543%0.426CS..EExtended strand (participates in β ladder)trans-130.9129.1173.5-52.4177000108.2A530 I533 K534 V543 I548 Y562 L563A530-I546 HydrophobicContact CB-CB 4.17Å; A530-I546 HydrophobicContact CB-CD1 4.36Å; A530-I546 HydrophobicContact CB-CG2 4.02Å; A530-I546 WeakPolarHBondContact O-CD1 3.34Å; I533-I546 HydrophobicContact CB-CD1 4.31Å; I533-I546 HydrophobicContact CD1-CG2 4.36Å; I533-I546 HydrophobicContact CG2-CD1 4.24Å; I533-I546 HydrophobicContact CG2-CG2 4.49Å; K534-I546 HydrophobicContact CB-CD1 3.76Å; K534-I546 HydrophobicContact CG-CD1 4.5Å; V543-I546 HydrophobicContact CG1-CD1 3.91Å; V543-I546 HydrophobicContact CG1-CG1 3.5Å; V543-I546 VanDerWaalsContact CG1-CG1 3.5Å; I546-I548 HydrophobicContact CG2-CG1 4.16Å; I546-Y562 CarbonylContact C-O 3.31Å; I546-Y562 WeakPolarHBondContact CA-O 3.26Å; I546-L563 HydrophobicContact CG1-CD1 3.88Å
547K92.5Very high85.8Confident71 Ų7181.2 Ų81.231%0.30944%0.435SS..EExtended strand (participates in β ladder)trans-127.8105172.2-171.5176.1-173.8-179.30109.7A561 Y562 L598 P599K547-A561 WeakPolarHBondContact O-CA 3.4Å; K547-Y562 PolarHBondContact N-O 3.41Å; K547-Y562 PolarHBondContact O-N 2.87Å; K547-L598 HydrophobicContact CB-CD1 4.12Å; K547-L598 HydrophobicContact CD-CB 4.32Å; K547-L598 HydrophobicContact CD-CD1 4.19Å; K547-L598 HydrophobicContact CD-CD2 4.45Å; K547-P599 PolarHBondContact NZ-O 3.07Å
548I92.7Very high85.2Confident57 Ų5782.3 Ų82.329%0.29244%0.443SS..EExtended strand (participates in β ladder)trans-79.8135.6177.5-63.2-174.1000109.9A530 I533 I546 I559 Y560 A561A530-I548 HydrophobicContact CB-CD1 4.3Å; A530-I548 VanDerWaalsContact N-CD1 3.31Å; I533-I548 HydrophobicContact CD1-CD1 3.65Å; I533-I548 HydrophobicContact CD1-CG1 3.92Å; I546-I548 HydrophobicContact CG2-CG1 4.16Å; I548-I559 HydrophobicContact CG2-CG2 3.37Å; I548-Y560 WeakPolarHBondContact CA-O 3.42Å; I548-A561 HydrophobicContact CG1-CB 4.18Å
549V89.8Confident85Confident60 Ų6080.6 Ų80.636%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-128.8105.6179.1-178.70000108.3Y560 Y562V549-Y560 PolarHBondContact N-O 3.08Å; V549-Y560 PolarHBondContact O-N 3.44Å; V549-Y562 HydrophobicContact CG2-CD2 4Å; V549-Y562 HydrophobicContact CG2-CE2 3.96Å
550G86.9Confident84.9Confident49 Ų4978.9 Ų78.951%0.50541%0.406SS..EExtended strand (participates in β ladder)trans-88.5124.7176.100000111.9K552G550-K552 PolarHBondContact O-N 2.91Å
551S78.1Confident84.9Confident37 Ų3775.8 Ų75.826%0.25939%0.394SS..  trans-81.5113.8171.1-176.70000110.5K553 S554 S558S551-K553 PolarHBondContact O-N 3.03Å; S551-K553 PolarHBondContact OG-N 3.48Å; S551-S554 PolarHBondContact OG-N 3.48Å; S551-S558 PolarHBondContact N-O 2.91Å
552K74.7Confident84.9Confident209 Ų20977.7 Ų77.791%0.90940%0.396SS*.SBendtrans-76.7-5.9166.2-65.1-173.6179.3-1780113.1G550G550-K552 PolarHBondContact O-N 2.91Å
553K70.7Confident84.9Confident199 Ų19971.4 Ų71.487%0.86537%0.368SS*.SBendtrans-95.2-25.6-173.6-69.6-170.4176.4-174.10113.9S551S551-K553 PolarHBondContact O-N 3.03Å; S551-K553 PolarHBondContact OG-N 3.48Å
554S68.3Low84.8Confident35 Ų3571.4 Ų71.425%0.24537%0.368CS..SBendtrans-81.6151.3176.464.70000111.4S551 P556 P557 S558S551-S554 PolarHBondContact OG-N 3.48Å; S554-P556 CarbonylContact C-O 3.55Å; S554-P556 WeakPolarHBondContact CB-O 3.49Å; S554-P556 CarbonylContact O-C 3.6Å; S554-P556 VanDerWaalsContact O-C 3.31Å; S554-P556 PolarHBondContact OG-O 2.76Å; S554-P557 WeakPolarHBondContact O-CA 3.49Å; S554-S558 PolarHBondContact OG-N 2.81Å; S554-S558 PolarHBondContact OG-OG 3.31Å
555K73.7Confident84.8Confident204 Ų20465.4 Ų65.489%0.88734%0.339SS*.SBendtrans-123.3114.9168.7-67.7-178.4179.9179.20107.2
556P71.7Confident84.9Confident106 Ų10666.4 Ų66.469%0.68834%0.34SS*.SBendcis-62.9158.6-6.329.4-36.2000113S554 S558S554-P556 CarbonylContact C-O 3.55Å; S554-P556 WeakPolarHBondContact CB-O 3.49Å; S554-P556 CarbonylContact O-C 3.6Å; S554-P556 VanDerWaalsContact O-C 3.31Å; S554-P556 PolarHBondContact OG-O 2.76Å; P556-S558 PolarHBondContact O-N 3.01Å; P556-S558 VanDerWaalsContact O-N 3.14Å; P556-S558 PolarHBondContact O-OG 3.13Å
557P68.5Low84.9Confident52 Ų5267.8 Ų67.834%0.33835%0.35SS..  trans-65.9112.2177.328.1-35.5000110.3S554S554-P557 WeakPolarHBondContact O-CA 3.49Å
558S80.1Confident84.9Confident24 Ų2466.8 Ų66.817%0.16835%0.352CS..  trans-94132.4-175.7-54.20000110S551 S554 P556 Y560S551-S558 PolarHBondContact N-O 2.91Å; S554-S558 PolarHBondContact OG-N 2.81Å; S554-S558 PolarHBondContact OG-OG 3.31Å; P556-S558 PolarHBondContact O-N 3.01Å; P556-S558 VanDerWaalsContact O-N 3.14Å; P556-S558 PolarHBondContact O-OG 3.13Å; S558-Y560 WeakPolarHBondContact O-CE2 3.12Å
559I89.2Confident84.9Confident25 Ų2569.5 Ų69.513%0.12836%0.363CS..EExtended strand (participates in β ladder)trans-97.6142.3172.8-59.3-173.3000109.1L524 I548L524-I559 HydrophobicContact CB-CB 4Å; L524-I559 HydrophobicContact CB-CG2 4.14Å; L524-I559 WeakPolarHBondContact CB-O 3.43Å; L524-I559 HydrophobicContact CD1-CG2 4.34Å; L524-I559 PolarHBondContact N-O 2.99Å; L524-I559 PolarHBondContact O-N 3.08Å; I548-I559 HydrophobicContact CG2-CG2 3.37Å
560Y92.1Very high85.1Confident64 Ų6466.7 Ų66.725%0.25135%0.346SS..EExtended strand (participates in β ladder)trans-127.1159.2174.8-50.7-92.5000109.2W520 I521 I548 V549 S558W520-Y560 AromaticContact CE2-CD1 3.83Å; W520-Y560 AromaticContact CH2-CD1 3.85Å; W520-Y560 HydrophobicContact CH2-CD1 3.85Å; W520-Y560 HydrophobicContact CH2-CD2 4.25Å; W520-Y560 AromaticContact CH2-CG 3.52Å; W520-Y560 HydrophobicContact CH2-CG 3.52Å; W520-Y560 AromaticContact CZ2-CD1 3.26Å; W520-Y560 HydrophobicContact CZ2-CD1 3.26Å; W520-Y560 HydrophobicContact CZ2-CD2 4.38Å; W520-Y560 HydrophobicContact CZ2-CE1 4.05Å; W520-Y560 AromaticContact CZ2-CG 3.48Å; W520-Y560 HydrophobicContact CZ2-CG 3.48Å; W520-Y560 VanDerWaalsContact CZ2-CG 3.48Å; W520-Y560 HydrophobicContact CZ3-CG 4.34Å; I521-Y560 CarbonylContact O-C 3.21Å; I521-Y560 VanDerWaalsContact O-CA 3.3Å; I521-Y560 WeakPolarHBondContact O-CA 3.42Å; I548-Y560 WeakPolarHBondContact CA-O 3.42Å; V549-Y560 PolarHBondContact N-O 3.08Å; V549-Y560 PolarHBondContact O-N 3.44Å; S558-Y560 WeakPolarHBondContact O-CE2 3.12Å
561A93.2Very high85.4Confident0 Ų064.3 Ų64.30%032%0.322CS..EExtended strand (participates in β ladder)trans-139.7130.9174.100000111.5I521 L524 I533 K547 I548I521-A561 HydrophobicContact CB-CB 4.45Å; I521-A561 PolarHBondContact N-O 3.26Å; I521-A561 PolarHBondContact O-N 3.03Å; L524-A561 HydrophobicContact CD1-CB 3.65Å; I533-A561 HydrophobicContact CD1-CB 3.61Å; K547-A561 WeakPolarHBondContact O-CA 3.4Å; I548-A561 HydrophobicContact CG1-CB 4.18Å
562Y93.4Very high86.1Confident58 Ų5864.5 Ų64.523%0.22732%0.322CS..EExtended strand (participates in β ladder)trans-82.2136.3159.5-63.7-73.6000109L519 W520 I546 K547 V549 I593 I596 L598L519-Y562 WeakPolarHBondContact O-CA 3.42Å; W520-Y562 HydrophobicContact CD2-CE1 4.25Å; W520-Y562 AromaticContact CE3-CD1 3.57Å; W520-Y562 HydrophobicContact CE3-CD1 3.57Å; W520-Y562 HydrophobicContact CE3-CD2 4.24Å; W520-Y562 AromaticContact CE3-CE1 3.34Å; W520-Y562 HydrophobicContact CE3-CE1 3.34Å; W520-Y562 HydrophobicContact CE3-CE2 4.07Å; W520-Y562 HydrophobicContact CE3-CG 4.02Å; W520-Y562 AromaticContact CE3-CZ 3.61Å; W520-Y562 HydrophobicContact CH2-CE2 4.45Å; W520-Y562 HydrophobicContact CZ3-CD1 4.05Å; W520-Y562 AromaticContact CZ3-CD2 3.95Å; W520-Y562 HydrophobicContact CZ3-CD2 3.95Å; W520-Y562 AromaticContact CZ3-CE1 3.6Å; W520-Y562 HydrophobicContact CZ3-CE1 3.6Å; W520-Y562 AromaticContact CZ3-CE2 3.5Å; W520-Y562 HydrophobicContact CZ3-CE2 3.5Å; W520-Y562 HydrophobicContact CZ3-CG 4.21Å; W520-Y562 AromaticContact CZ3-CZ 3.3Å; I546-Y562 CarbonylContact C-O 3.31Å; I546-Y562 WeakPolarHBondContact CA-O 3.26Å; K547-Y562 PolarHBondContact N-O 3.41Å; K547-Y562 PolarHBondContact O-N 2.87Å; V549-Y562 HydrophobicContact CG2-CD2 4Å; V549-Y562 HydrophobicContact CG2-CE2 3.96Å; Y562-I593 HydrophobicContact CD1-CD1 3.73Å; Y562-I593 HydrophobicContact CE1-CD1 4.01Å; Y562-I596 HydrophobicContact CE1-CD1 3.86Å; Y562-L598 HydrophobicContact CD1-CD2 4.21Å; Y562-L598 HydrophobicContact CD2-CD2 3.78Å; Y562-L598 HydrophobicContact CE2-CD2 4.31Å; Y562-L598 HydrophobicContact CG-CD2 3.72Å
563L93.2Very high87Confident1 Ų159.9 Ų59.91%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-136.3136.3-175.3169.867.3000109.4L519 I521 V543 I546 M565 L574L519-L563 HydrophobicContact CB-CB 4.08Å; L519-L563 HydrophobicContact CB-CD2 4.35Å; L519-L563 HydrophobicContact CB-CG 4.37Å; L519-L563 HydrophobicContact CD1-CD2 3.9Å; L519-L563 HydrophobicContact CD1-CG 4.4Å; L519-L563 PolarHBondContact N-O 3.37Å; L519-L563 PolarHBondContact O-N 3.3Å; I521-L563 HydrophobicContact CD1-CD2 3.95Å; V543-L563 HydrophobicContact CB-CD1 4.24Å; V543-L563 HydrophobicContact CG1-CD1 3.33Å; V543-L563 HydrophobicContact CG2-CD1 3.92Å; I546-L563 HydrophobicContact CG1-CD1 3.88Å; L563-M565 HydrophobicContact CD1-SD 4.15Å; L563-M565 HydrophobicContact CD2-SD 4.02Å; L563-M565 HydrophobicContact CG-SD 4.1Å; L563-L574 HydrophobicContact CD2-CD2 3.52Å
564I93.2Very high88Confident23 Ų2350.4 Ų50.412%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-121121174.4-53.6178.9000108.2F518 Q544 T545F518-I564 HydrophobicContact CD1-CD1 3.9Å; F518-I564 HydrophobicContact CD1-CG1 3.78Å; F518-I564 HydrophobicContact CE1-CD1 3.58Å; F518-I564 HydrophobicContact CE1-CG1 3.96Å; F518-I564 HydrophobicContact CE1-CG2 4.47Å; Q544-I564 HydrophobicContact CB-CB 4.43Å; Q544-I564 HydrophobicContact CB-CG2 4.22Å; Q544-I564 PolarHBondContact N-O 2.86Å; T545-I564 PolarHBondContact N-O 3.31Å; T545-I564 PolarHBondContact O-N 3.33Å
565M94.2Very high89.2Confident0 Ų050.1 Ų50.10%025%0.254CS..EExtended strand (participates in β ladder)trans-89.3150.1175.1-60-57.6-73.600111K517 L519 G541 V543 L563 T567 A570 A571 L574K517-M565 WeakPolarHBondContact CD-O 3.31Å; K517-M565 PolarHBondContact O-N 3.46Å; L519-M565 HydrophobicContact CD1-CG 3.91Å; G541-M565 WeakPolarHBondContact O-CE 3.33Å; V543-M565 HydrophobicContact CG2-CE 4.4Å; V543-M565 HydrophobicContact CG2-SD 3.95Å; L563-M565 HydrophobicContact CD1-SD 4.15Å; L563-M565 HydrophobicContact CD2-SD 4.02Å; L563-M565 HydrophobicContact CG-SD 4.1Å; M565-T567 VanDerWaalsContact C-N 3.32Å; M565-T567 WeakPolarHBondContact CB-O 3.37Å; M565-T567 PolarHBondContact O-N 2.9Å; M565-A570 HydrophobicContact CB-CB 4.4Å; M565-A570 HydrophobicContact CE-CB 3.86Å; M565-A571 HydrophobicContact CB-CB 4.13Å; M565-A571 HydrophobicContact CG-CB 3.89Å; M565-L574 HydrophobicContact CE-CD2 4.02Å; M565-L574 HydrophobicContact CG-CD2 4.3Å; M565-L574 HydrophobicContact SD-CD2 3.69Å
566E93.8Very high90.1Very high85 Ų8548.7 Ų48.740%0.39725%0.248SC..SBendtrans-64.8-36.1177.3-174.8164.1-111.900112.4K517 K542K517-E566 WeakPolarHBondContact CE-O 3.29Å; K517-E566 PolarHBondContact NZ-O 3.34Å; K542-E566 HydrophobicContact CB-CB 4.28Å; K542-E566 WeakPolarHBondContact CB-OE2 3.12Å; K542-E566 VanDerWaalsContact CD-OE2 3.3Å; K542-E566 WeakPolarHBondContact CD-OE2 3.49Å; K542-E566 WeakPolarHBondContact CE-OE1 3.44Å; K542-E566 IonicContact NZ-OE1 2.72Å; K542-E566 PolarHBondContact NZ-OE1 2.89Å; K542-E566 IonicContact NZ-OE2 3.77Å; K542-E566 PolarHBondContact NZ-OE2 3.25Å; K542-E566 WeakPolarHBondContact O-CB 3.34Å; K542-E566 PolarHBondContact O-N 2.82Å
567T93.5Very high91Very high64 Ų6445.6 Ų45.639%0.39323%0.231SC..SBendtrans-122.9151.7175.568.40000111.8M565 A570 A571M565-T567 VanDerWaalsContact C-N 3.32Å; M565-T567 WeakPolarHBondContact CB-O 3.37Å; M565-T567 PolarHBondContact O-N 2.9Å; T567-A570 PolarHBondContact O-N 3.49Å; T567-A570 VanDerWaalsContact OG1-CB 3.24Å; T567-A570 WeakPolarHBondContact OG1-CB 3.31Å; T567-A570 PolarHBondContact OG1-N 3.41Å; T567-A571 PolarHBondContact O-N 3.11Å
568S92.4Very high92.1Very high50 Ų5043.5 Ų43.535%0.3522%0.217SC..Hα-helixtrans-70-36.7176.643.50000111.9S515 A570 A571 V572S515-S568 WeakPolarHBondContact O-CB 3.39Å; S568-A570 VanDerWaalsContact C-N 3.32Å; S568-A570 PolarHBondContact O-N 3.01Å; S568-A571 WeakPolarHBondContact O-CB 3.43Å; S568-A571 PolarHBondContact O-N 2.6Å; S568-A571 VanDerWaalsContact O-N 3.08Å; S568-V572 PolarHBondContact O-N 3.37Å
569E92.9Very high92.5Very high114 Ų11447.2 Ų47.253%0.53323%0.231SC..Hα-helixtrans-58.6-42.5173.3-165.1-151.8141.800111.8A571 V572 R573E569-A571 VanDerWaalsContact C-N 3.31Å; E569-A571 PolarHBondContact O-N 3.3Å; E569-V572 PolarHBondContact O-N 3.06Å; E569-R573 WeakPolarHBondContact O-CG 3.34Å; E569-R573 PolarHBondContact O-N 3.13Å; E569-R573 IonicContact OE1-CZ 3.35Å; E569-R573 VanDerWaalsContact OE1-CZ 3.29Å; E569-R573 IonicContact OE1-NE 3.55Å; E569-R573 IonicContact OE1-NH1 2.65Å; E569-R573 PolarHBondContact OE1-NH1 3.39Å
570A93.8Very high92.5Very high1 Ų147.9 Ų47.91%0.00825%0.245CC..Hα-helixtrans-61-39.4174.200000112Y540 M565 T567 S568 R573 L574Y540-A570 WeakPolarHBondContact O-CB 3.36Å; M565-A570 HydrophobicContact CB-CB 4.4Å; M565-A570 HydrophobicContact CE-CB 3.86Å; T567-A570 PolarHBondContact O-N 3.49Å; T567-A570 VanDerWaalsContact OG1-CB 3.24Å; T567-A570 WeakPolarHBondContact OG1-CB 3.31Å; T567-A570 PolarHBondContact OG1-N 3.41Å; S568-A570 VanDerWaalsContact C-N 3.32Å; S568-A570 PolarHBondContact O-N 3.01Å; A570-R573 PolarHBondContact O-N 3.06Å; A570-L574 WeakPolarHBondContact O-CB 3.48Å; A570-L574 PolarHBondContact O-N 2.76Å
571A93.2Very high92.3Very high0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-63.9-44.2175.300000112.3S516 L519 M565 T567 S568 E569 L574 V575S516-A571 WeakPolarHBondContact O-CB 3.48Å; L519-A571 HydrophobicContact CD1-CB 3.98Å; L519-A571 HydrophobicContact CD2-CB 4.24Å; L519-A571 HydrophobicContact CG-CB 4.17Å; M565-A571 HydrophobicContact CB-CB 4.13Å; M565-A571 HydrophobicContact CG-CB 3.89Å; T567-A571 PolarHBondContact O-N 3.11Å; S568-A571 WeakPolarHBondContact O-CB 3.43Å; S568-A571 PolarHBondContact O-N 2.6Å; S568-A571 VanDerWaalsContact O-N 3.08Å; E569-A571 VanDerWaalsContact C-N 3.31Å; E569-A571 PolarHBondContact O-N 3.3Å; A571-L574 PolarHBondContact O-N 3.31Å; A571-V575 VanDerWaalsContact O-CG2 3.27Å; A571-V575 WeakPolarHBondContact O-CG2 3.31Å; A571-V575 PolarHBondContact O-N 2.99Å
572V92.4Very high91.9Very high41 Ų4154.3 Ų54.325%0.24828%0.279CS..Hα-helixtrans-63.9-42.9177.2174.80000111.8S514 S568 E569 K576S514-V572 WeakPolarHBondContact O-CG2 3.35Å; S568-V572 PolarHBondContact O-N 3.37Å; E569-V572 PolarHBondContact O-N 3.06Å; V572-K576 HydrophobicContact CG1-CD 4.27Å; V572-K576 WeakPolarHBondContact O-CG 3.17Å; V572-K576 PolarHBondContact O-N 3.27Å; V572-K576 VanDerWaalsContact O-N 3.11Å
573R92.9Very high91.5Very high112 Ų11254.2 Ų54.242%0.42328%0.279SS..Hα-helixtrans-64.5-43.6176.4-67.4-176.3-51.7-168.513111.6Y540 E569 A570 K576 A577Y540-R573 PolarHBondContact O-NH2 3.24Å; E569-R573 WeakPolarHBondContact O-CG 3.34Å; E569-R573 PolarHBondContact O-N 3.13Å; E569-R573 IonicContact OE1-CZ 3.35Å; E569-R573 VanDerWaalsContact OE1-CZ 3.29Å; E569-R573 IonicContact OE1-NE 3.55Å; E569-R573 IonicContact OE1-NH1 2.65Å; E569-R573 PolarHBondContact OE1-NH1 3.39Å; A570-R573 PolarHBondContact O-N 3.06Å; R573-K576 PolarHBondContact O-N 2.85Å; R573-A577 WeakPolarHBondContact O-CB 3.46Å; R573-A577 PolarHBondContact O-N 3.03Å; R573-A577 VanDerWaalsContact O-N 3.08Å
574L93.2Very high91Very high0 Ų058.9 Ų58.90%031%0.312CS..Hα-helixtrans-60.9-44.8178.1-176.666.8000112.2L519 C537 Y540 L563 M565 A570 A571 A577 L578L519-L574 HydrophobicContact CD1-CD2 3.59Å; L519-L574 HydrophobicContact CD1-CG 4.36Å; C537-L574 HydrophobicContact CB-CD1 4.06Å; C537-L574 HydrophobicContact CB-CD2 4.09Å; Y540-L574 HydrophobicContact CD2-CD1 3.24Å; Y540-L574 HydrophobicContact CE2-CD1 3.94Å; Y540-L574 HydrophobicContact CG-CB 4.29Å; Y540-L574 HydrophobicContact CG-CD1 3.77Å; L563-L574 HydrophobicContact CD2-CD2 3.52Å; M565-L574 HydrophobicContact CE-CD2 4.02Å; M565-L574 HydrophobicContact CG-CD2 4.3Å; M565-L574 HydrophobicContact SD-CD2 3.69Å; A570-L574 WeakPolarHBondContact O-CB 3.48Å; A570-L574 PolarHBondContact O-N 2.76Å; A571-L574 PolarHBondContact O-N 3.31Å; L574-A577 PolarHBondContact O-N 3.41Å; L574-L578 HydrophobicContact CD1-CD1 3.32Å; L574-L578 HydrophobicContact CD1-CG 3.92Å; L574-L578 HydrophobicContact CG-CD1 4.19Å; L574-L578 WeakPolarHBondContact O-CB 3.37Å; L574-L578 PolarHBondContact O-N 2.88Å
575V93.1Very high90.5Very high28 Ų2860.9 Ų60.917%0.1734%0.339CS..Hα-helixtrans-61.1-49.2175.4171.10000111L519 A571 A577 Q579 I590 Q592L519-V575 HydrophobicContact CD1-CG2 4.49Å; L519-V575 HydrophobicContact CD2-CG2 3.4Å; L519-V575 VanDerWaalsContact CD2-CG2 3.4Å; A571-V575 VanDerWaalsContact O-CG2 3.27Å; A571-V575 WeakPolarHBondContact O-CG2 3.31Å; A571-V575 PolarHBondContact O-N 2.99Å; V575-A577 PolarHBondContact O-N 3.14Å; V575-Q579 WeakPolarHBondContact O-CB 3.34Å; V575-Q579 PolarHBondContact O-N 2.85Å; V575-I590 HydrophobicContact CG2-CG2 3.81Å; V575-Q592 HydrophobicContact CG2-CG 4.18Å
576K91.9Very high90Very high175 Ų17563.3 Ų63.376%0.76135%0.352SS*.Hα-helixtrans-61.6-29.9-179.1-74.4178.9178.7-176.60113.5V572 R573V572-K576 HydrophobicContact CG1-CD 4.27Å; V572-K576 WeakPolarHBondContact O-CG 3.17Å; V572-K576 PolarHBondContact O-N 3.27Å; V572-K576 VanDerWaalsContact O-N 3.11Å; R573-K576 PolarHBondContact O-N 2.85Å
577A90.9Very high89.9Confident40 Ų4063.4 Ų63.433%0.33135%0.352SS..Hα-helixtrans-97.3-30-173.600000114.9Y540 R573 L574 V575 V581Y540-A577 HydrophobicContact CD1-CB 3.98Å; Y540-A577 HydrophobicContact CE1-CB 3.19Å; R573-A577 WeakPolarHBondContact O-CB 3.46Å; R573-A577 PolarHBondContact O-N 3.03Å; R573-A577 VanDerWaalsContact O-N 3.08Å; L574-A577 PolarHBondContact O-N 3.41Å; V575-A577 PolarHBondContact O-N 3.14Å; A577-V581 VanDerWaalsContact O-CG2 3.25Å; A577-V581 WeakPolarHBondContact O-CG2 3.48Å
578L90.9Very high89.8Confident8 Ų860.3 Ų60.34%0.04233%0.333CS..Hα-helixtrans-101.2-9.9-178.8-66-173.2000114.7M536 Y540 L574 G580 V581 I590M536-L578 HydrophobicContact CE-CD1 3.95Å; M536-L578 HydrophobicContact CG-CD1 3.68Å; M536-L578 HydrophobicContact CG-CD2 4.08Å; M536-L578 HydrophobicContact SD-CD1 3.98Å; M536-L578 HydrophobicContact SD-CD2 4.48Å; Y540-L578 HydrophobicContact CE2-CD1 4.35Å; Y540-L578 HydrophobicContact CE2-CD2 4.01Å; Y540-L578 HydrophobicContact CE2-CG 4Å; L574-L578 HydrophobicContact CD1-CD1 3.32Å; L574-L578 HydrophobicContact CD1-CG 3.92Å; L574-L578 HydrophobicContact CG-CD1 4.19Å; L574-L578 WeakPolarHBondContact O-CB 3.37Å; L574-L578 PolarHBondContact O-N 2.88Å; L578-G580 PolarHBondContact O-N 3.44Å; L578-G580 VanDerWaalsContact O-N 3.17Å; L578-V581 HydrophobicContact CD2-CB 4.45Å; L578-V581 HydrophobicContact CD2-CG2 4.25Å; L578-V581 WeakPolarHBondContact O-CB 3.28Å; L578-V581 PolarHBondContact O-N 3.44Å; L578-V581 VanDerWaalsContact O-N 3.11Å; L578-I590 HydrophobicContact CB-CD1 3.55Å; L578-I590 HydrophobicContact CD1-CD1 4.15Å; L578-I590 HydrophobicContact CG-CD1 4.5Å
579Q90.2Very high89.8Confident102 Ų10263.6 Ų63.648%0.47734%0.341SS..THydrogen-bonded Turntrans-62.9116.6175.2179.668.5-9.100110.8V575 V581 I590V575-Q579 WeakPolarHBondContact O-CB 3.34Å; V575-Q579 PolarHBondContact O-N 2.85Å; Q579-V581 VanDerWaalsContact C-N 3.35Å; Q579-I590 PolarHBondContact OE1-O 2.78Å
580G87.3Confident89.8Confident39 Ų3958.4 Ų58.440%0.40232%0.317SS..THydrogen-bonded Turntrans84.1-0.7-177.200000115.2L578 K582 L588L578-G580 PolarHBondContact O-N 3.44Å; L578-G580 VanDerWaalsContact O-N 3.17Å; G580-K582 PolarHBondContact O-N 2.99Å; G580-L588 PolarHBondContact N-O 3.24Å
581V88Confident89.6Confident57 Ų5765.1 Ų65.135%0.34535%0.346SS..  trans-65.8133.9177.1169.20000110.5A577 L578 Q579 F583 L588A577-V581 VanDerWaalsContact O-CG2 3.25Å; A577-V581 WeakPolarHBondContact O-CG2 3.48Å; L578-V581 HydrophobicContact CD2-CB 4.45Å; L578-V581 HydrophobicContact CD2-CG2 4.25Å; L578-V581 WeakPolarHBondContact O-CB 3.28Å; L578-V581 PolarHBondContact O-N 3.44Å; L578-V581 VanDerWaalsContact O-N 3.11Å; Q579-V581 VanDerWaalsContact C-N 3.35Å; V581-F583 PolarHBondContact O-N 3.47Å; V581-L588 PolarHBondContact O-N 3.28Å
582K86.4Confident89.5Confident143 Ų14367 Ų6762%0.62236%0.355SS*.EExtended strand (participates in β ladder)trans-83.399.3178.7-72-176.2177.5-174.70110.9G580 N586 E587G580-K582 PolarHBondContact O-N 2.99Å; K582-N586 CarbonylContact C-O 3.55Å; K582-N586 WeakPolarHBondContact CA-O 3.4Å; K582-E587 HydrophobicContact CD-CG 4.22Å; K582-E587 VanDerWaalsContact CE-CD 3.49Å; K582-E587 WeakPolarHBondContact CE-OE1 3.44Å; K582-E587 HydrophobicContact CG-CG 3.69Å; K582-E587 IonicContact NZ-OE1 2.85Å; K582-E587 PolarHBondContact NZ-OE1 3.27Å
583F84.9Confident89.4Confident55 Ų5566.5 Ų66.524%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-99.9116.2175.1-167.3-82.6000109.9P525 V528 M536 V581 G585 N586 L588P525-F583 HydrophobicContact CG-CD1 3.86Å; P525-F583 HydrophobicContact CG-CE1 4.41Å; V528-F583 HydrophobicContact CG2-CD1 4.26Å; V528-F583 HydrophobicContact CG2-CE1 3.72Å; M536-F583 HydrophobicContact SD-CD2 3.65Å; M536-F583 HydrophobicContact SD-CE2 4.04Å; M536-F583 HydrophobicContact SD-CG 4.39Å; V581-F583 PolarHBondContact O-N 3.47Å; F583-G585 PolarHBondContact O-N 3.44Å; F583-G585 VanDerWaalsContact O-N 3.11Å; F583-N586 PolarHBondContact N-O 3.05Å; F583-N586 PolarHBondContact O-N 3.22Å; F583-L588 HydrophobicContact CB-CD1 3.75Å; F583-L588 HydrophobicContact CB-CD2 4.05Å; F583-L588 HydrophobicContact CB-CG 3.83Å; F583-L588 HydrophobicContact CG-CD1 4.37Å
584S81.7Confident89Confident99 Ų9965 Ų6569%0.69235%0.351SS*.THydrogen-bonded Turntrans46.339.1-177-47.30000114.5
585G82.6Confident88.4Confident66 Ų6669 Ų6968%0.6838%0.377SS*.THydrogen-bonded Turntrans96.8-20.9-179.700000115.4F583F583-G585 PolarHBondContact O-N 3.44Å; F583-G585 VanDerWaalsContact O-N 3.11Å
586N84.9Confident87.2Confident51 Ų5171.2 Ų71.227%0.27339%0.387SS..EExtended strand (participates in β ladder)trans-95.3132.7-178.8-74.67.4000112.2N523 K582 F583 L588N523-N586 VanDerWaalsContact O-CB 3.26Å; N523-N586 WeakPolarHBondContact O-CB 3.07Å; N523-N586 PolarHBondContact O-ND2 2.67Å; K582-N586 CarbonylContact C-O 3.55Å; K582-N586 WeakPolarHBondContact CA-O 3.4Å; F583-N586 PolarHBondContact N-O 3.05Å; F583-N586 PolarHBondContact O-N 3.22Å; N586-L588 PolarHBondContact O-N 3.1Å
587E90.4Very high85.6Confident86 Ų8673.5 Ų73.540%0.40239%0.391SS..EExtended strand (participates in β ladder)trans-73.7115.7168.8-68.8174.4-171.900110.4N523 K582N523-E587 WeakPolarHBondContact CB-O 3.32Å; N523-E587 PolarHBondContact ND2-O 3.48Å; K582-E587 HydrophobicContact CD-CG 4.22Å; K582-E587 VanDerWaalsContact CE-CD 3.49Å; K582-E587 WeakPolarHBondContact CE-OE1 3.44Å; K582-E587 HydrophobicContact CG-CG 3.69Å; K582-E587 IonicContact NZ-OE1 2.85Å; K582-E587 PolarHBondContact NZ-OE1 3.27Å
588L92Very high84Confident0 Ų074.1 Ų74.10%039%0.388CS..  trans-73.1135.9179.7-61.9-174.8000111.5L524 M536 G580 V581 F583 N586L524-L588 HydrophobicContact CD2-CD2 3.76Å; L524-L588 HydrophobicContact CG-CD2 4.37Å; M536-L588 HydrophobicContact CE-CD1 3.72Å; M536-L588 HydrophobicContact SD-CD1 3.44Å; M536-L588 WeakPolarHBondContact SD-CD1 3.46Å; G580-L588 PolarHBondContact N-O 3.24Å; V581-L588 PolarHBondContact O-N 3.28Å; F583-L588 HydrophobicContact CB-CD1 3.75Å; F583-L588 HydrophobicContact CB-CD2 4.05Å; F583-L588 HydrophobicContact CB-CG 3.83Å; F583-L588 HydrophobicContact CG-CD1 4.37Å; N586-L588 PolarHBondContact O-N 3.1Å
589K91.4Very high81.7Confident118 Ų11881.6 Ų81.651%0.51344%0.437SS..EExtended strand (participates in β ladder)trans-120.2107177.1-71.5177.2-177.2177.40109.5S522S522-K589 PolarHBondContact N-O 3.32Å; S522-K589 PolarHBondContact O-N 3.01Å; S522-K589 VanDerWaalsContact O-N 3.07Å; S522-K589 WeakPolarHBondContact OG-CB 3.46Å; S522-K589 PolarHBondContact OG-O 3.1Å
590I93.4Very high81.3Confident5 Ų580.6 Ų80.63%0.02644%0.435CS..EExtended strand (participates in β ladder)trans-101.4137.6179.5-47.8-167.9000109.7L519 W520 I521 V575 L578 Q579L519-I590 HydrophobicContact CB-CG2 4.39Å; L519-I590 HydrophobicContact CD2-CG2 4.2Å; W520-I590 CarbonylContact O-C 3.54Å; W520-I590 VanDerWaalsContact O-CA 3.3Å; W520-I590 WeakPolarHBondContact O-CA 3.35Å; I521-I590 HydrophobicContact CD1-CD1 4.16Å; I521-I590 HydrophobicContact CG1-CD1 4.06Å; I521-I590 HydrophobicContact CG1-CG1 4.06Å; I521-I590 HydrophobicContact CG1-CG2 4.25Å; I521-I590 HydrophobicContact CG2-CG1 4.25Å; V575-I590 HydrophobicContact CG2-CG2 3.81Å; L578-I590 HydrophobicContact CB-CD1 3.55Å; L578-I590 HydrophobicContact CD1-CD1 4.15Å; L578-I590 HydrophobicContact CG-CD1 4.5Å; Q579-I590 PolarHBondContact OE1-O 2.78Å
591K91Very high81Confident143 Ų14382.8 Ų82.862%0.62244%0.437SS*.EExtended strand (participates in β ladder)trans-125.7141.1168.4-66.6-170.8174.3-169.90110.2L519 W520L519-K591 WeakPolarHBondContact CA-O 2.98Å; W520-K591 PolarHBondContact N-O 3.03Å; W520-K591 PolarHBondContact O-N 3.44Å
592Q91Very high80.6Confident39 Ų3984.2 Ų84.218%0.18244%0.442CS..EExtended strand (participates in β ladder)trans-67.3139.4156.3-79.3174.3-61.400108.8L513 S514 S516 L519 V575L513-Q592 HydrophobicContact CB-CB 4.34Å; L513-Q592 PolarHBondContact O-NE2 3.47Å; L513-Q592 VanDerWaalsContact O-NE2 3.16Å; L513-Q592 PolarHBondContact O-OE1 3.33Å; S514-Q592 PolarHBondContact O-NE2 3.43Å; S516-Q592 PolarHBondContact O-NE2 2.9Å; S516-Q592 VanDerWaalsContact O-NE2 3.1Å; L519-Q592 HydrophobicContact CD2-CB 4.4Å; L519-Q592 HydrophobicContact CD2-CG 3.58Å; V575-Q592 HydrophobicContact CG2-CG 4.18Å
593I90.3Very high80.2Confident31 Ų3180.8 Ų80.816%0.15943%0.432CS..  trans-128.5160.4179.354.3164.8000109.6S516 F518 W520 Y562 I596S516-I593 WeakPolarHBondContact CB-O 3.46Å; S516-I593 PolarHBondContact OG-O 2.82Å; F518-I593 HydrophobicContact CB-CD1 4.28Å; F518-I593 HydrophobicContact CB-CG1 3.79Å; F518-I593 WeakPolarHBondContact O-CG1 3.39Å; F518-I593 PolarHBondContact O-N 3.34Å; W520-I593 HydrophobicContact CB-CD1 4.34Å; W520-I593 HydrophobicContact CB-CG2 3.75Å; Y562-I593 HydrophobicContact CD1-CD1 3.73Å; Y562-I593 HydrophobicContact CE1-CD1 4.01Å; I593-I596 HydrophobicContact CD1-CD1 3.92Å; I593-I596 HydrophobicContact CD1-CG1 4.33Å
594N84Confident79.9Confident81 Ų8182.4 Ų82.443%0.43344%0.443SS..  trans-61.8161168.1-81.9-48.2000111.3L513 I596L513-N594 WeakPolarHBondContact CD2-OD1 3.33Å; N594-I596 VanDerWaalsContact C-N 3.27Å; N594-I596 PolarHBondContact O-N 3.39Å
595P79.6Confident79.8Confident83 Ų8381.3 Ų81.354%0.53943%0.427SS..  trans-65.981.3176.227.8-36.6000112.1F518 R597F518-P595 HydrophobicContact CD2-CB 3.93Å; F518-P595 HydrophobicContact CE1-CB 4.28Å; F518-P595 HydrophobicContact CE2-CB 3.59Å; F518-P595 HydrophobicContact CG-CB 4.44Å; F518-P595 HydrophobicContact CZ-CB 3.78Å; P595-R597 PolarHBondContact O-N 3.14Å
596I68.9Low79.6Confident74 Ų7482.4 Ų82.438%0.37941%0.409SS..  trans-66.2121.9171.8-60179.3000108.2Y562 I593 N594 L598Y562-I596 HydrophobicContact CE1-CD1 3.86Å; I593-I596 HydrophobicContact CD1-CD1 3.92Å; I593-I596 HydrophobicContact CD1-CG1 4.33Å; N594-I596 VanDerWaalsContact C-N 3.27Å; N594-I596 PolarHBondContact O-N 3.39Å; I596-L598 HydrophobicContact CG2-CD2 4.32Å; I596-L598 PolarHBondContact O-N 2.99Å
597R58.5Low79.2Confident224 Ų22484.8 Ų84.885%0.84542%0.419SS*.  trans-66.198.5163.1-68.8-176.1-176.9163.12.7107.7P595P595-R597 PolarHBondContact O-N 3.14Å
598L57.5Low78.3Confident53 Ų5384.7 Ų84.728%0.27742%0.421SS..  trans-61.2131.3174.3-61.5177.9000108.7K547 Y562 I596K547-L598 HydrophobicContact CB-CD1 4.12Å; K547-L598 HydrophobicContact CD-CB 4.32Å; K547-L598 HydrophobicContact CD-CD1 4.19Å; K547-L598 HydrophobicContact CD-CD2 4.45Å; Y562-L598 HydrophobicContact CD1-CD2 4.21Å; Y562-L598 HydrophobicContact CD2-CD2 3.78Å; Y562-L598 HydrophobicContact CE2-CD2 4.31Å; Y562-L598 HydrophobicContact CG-CD2 3.72Å; I596-L598 HydrophobicContact CG2-CD2 4.32Å; I596-L598 PolarHBondContact O-N 2.99Å
599P42.4Very low77.1Confident165 Ų16592.4 Ų92.4100%1.07146%0.459SS*.  trans-74.50173.232.3-35.9000112.1K547K547-P599 PolarHBondContact NZ-O 3.07Å

Retrieved 599 of 599 residues in 636.6 ms (Link to these results)