A0A087XWQ0_POEFO Loading...

TATA-box binding protein associated factor 4

AlphaFold DB , UniProt , Accession A0A087XWQ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 856 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.6Very low33.5Very low217 Ų217129.3 Ų129.3100%1.06985%0.847SS**  063.20-54.2178.9-168.400107.4
2E33.1Very low33.4Very low188 Ų188133.5 Ų133.588%0.87985%0.847SS**  65.3126.761.2-64.7156.6100.500112.2
3G35.2Very low35.1Very low65 Ų65130.9 Ų130.967%0.6783%0.832SS**  cis171.3-164.8-4.800000114.7
4T41Very low34.8Very low145 Ų145132.6 Ų132.689%0.8983%0.829SS**  trans61.3113.6160.238.30000121.2
5A37.1Very low34.6Very low109 Ų109132.8 Ų132.890%0.90183%0.829SS**  74165.1126.100000120.9
6G31.3Very low34.4Very low77 Ų77132.5 Ų132.579%0.79483%0.826SS**  trans122.164.3161.200000117.5
7I37.4Very low34.2Very low171 Ų171130.4 Ų130.488%0.87783%0.825SS**  trans-87.9126.7162.236.8165.7000111.2
8T31.1Very low34Very low150 Ų150127.7 Ų127.792%0.9282%0.817SS**  trans-144.6167.2159.135.50000110.4
9S32.3Very low33.9Very low123 Ų123130.6 Ų130.686%0.8682%0.819SS**  trans-115.7-169.6-164.8-1670000112.4
10A30.2Very low33.8Very low93 Ų93129.8 Ų129.877%0.76982%0.817SS**  trans79.2151.5169.500000117.5
11A30Very low33.8Very low84 Ų84131 Ų13169%0.69481%0.813SS**  cis-173.3157.8-22.600000111.5
12E32.4Very low33.8Very low180 Ų180129.6 Ų129.684%0.84180%0.801SS**  trans66.4164.8146.3-72.8-65.891.800120.2
13P55.8Low33.8Very low100 Ų100126.4 Ų126.465%0.64979%0.79SS**  trans-123.8-113.1-144.341.7-25.6000115.5
14I30.6Very low33.6Very low155 Ų155128 Ų12880%0.79579%0.791SS**  trans82.7134.9-171-50.9161.4000111
15T31.8Very low33.2Very low135 Ų135128.9 Ų128.983%0.82879%0.789SS**  cis-120.5-138.236.860.60000116.2
16T30.8Very low33.1Very low128 Ų128127.5 Ų127.579%0.78578%0.778SS**  trans-157.3161.8-150.5-32.70000114.1
17A32Very low33.1Very low97 Ų97131.3 Ų131.380%0.80279%0.786SS**  trans79.5161.116000000118
18A30.1Very low33Very low82 Ų82129.2 Ų129.268%0.67879%0.787SS**  cis-148.6134-1.700000110
19Q32.3Very low33Very low183 Ų183125.2 Ų125.286%0.85578%0.775SS**  76.3143.397.3-77.7-168.2-27.100119.7
20S31.7Very low32.9Very low113 Ų113124.3 Ų124.379%0.7978%0.775SS**  trans79.8155.315977.10000120.4
21H33.3Very low33Very low157 Ų157125.6 Ų125.673%0.72777%0.773SS**  -166.9174.7-52.5-134.5-104.5000110.9
22F30.7Very low33.1Very low186 Ų186128.4 Ų128.482%0.81678%0.782SS**  trans71.6159.4171.9-63.4-89.6000118.7
23D33.1Very low32.9Very low121 Ų121123.2 Ų123.265%0.64778%0.776SS**  cis-171.3159.9-49.8-142.1-67.3000110.9
24S31.8Very low31.8Very low98 Ų98123.1 Ų123.169%0.68578%0.784SS**  trans60.2154.7148.2-78.40000121.5
25L31.8Very low31.9Very low165 Ų165122 Ų12286%0.86479%0.789SS**  cis-157.6166.5-21.9-172.655000109.9
26A34.6Very low31.7Very low80 Ų80118.8 Ų118.866%0.66178%0.784SS**  trans-72.6174.2-170.800000117.9
27T31.5Very low31.7Very low157 Ų157117.4 Ų117.496%0.96379%0.785SS**  trans-158.2178.7133.65.60000112.4
28S35.7Very low31.6Very low127 Ų127119.2 Ų119.289%0.88879%0.786SS**  trans-139.1167-153.9-175.40000114.1
29G31.5Very low31.5Very low65 Ų65120.4 Ų120.467%0.6780%0.796SS**  trans144.8115.8144.900000121
30A29.8Very low31.1Very low104 Ų104115 Ų11586%0.8679%0.79SS**  trans62174.5138.100000122.1
31V32.5Very low31.1Very low121 Ų121114.4 Ų114.473%0.73379%0.792SS**  -173.5157.6-67.8139.20000110.4
32T31.6Very low30.8Very low143 Ų143113.3 Ų113.388%0.87779%0.791SS**  trans64.5156173.940.90000118.7
33G28Very low30.7Very low70 Ų70111.5 Ų111.572%0.72278%0.783SS**  cis171.9139.7-11.500000117.1
34A33.1Very low30.4Very low98 Ų98112.4 Ų112.481%0.8178%0.783SS**  trans59.4133.7142.100000126.3
35S32.4Very low30.1Very low131 Ų131115.3 Ų115.392%0.91679%0.786SS**  trans66.5152.1147.2-58.40000121.2
36G27.8Very low30Very low69 Ų69111.4 Ų111.471%0.71178%0.778SS**  cis158.2157.9-11.300000114.7
37A30.9Very low29.6Very low98 Ų98114.5 Ų114.581%0.8179%0.788SS**  trans69.8159.1163.800000118.2
38T28.7Very low29.3Very low135 Ų135110.4 Ų110.483%0.82878%0.777SS**  cis-167.6166.5-15.619.70000111.8
39A28.4Very low28.8Very low107 Ų107109 Ų10988%0.88477%0.774SS**  trans71.2157.8158.800000119.4
40G25.3Very low29.3Very low70 Ų70111.8 Ų111.872%0.72278%0.78SS**  cis157.2140.6-13.900000115.8
41A30.1Very low29.1Very low101 Ų101111 Ų11184%0.83577%0.774SS**  trans65.7168171.900000116.5
42D27.3Very low28.8Very low134 Ų134110.3 Ų110.372%0.71777%0.774SS**  cis-157.7175.63.6-153.6-13.4000112.4
43K28.1Very low28.6Very low147 Ų147111.5 Ų111.564%0.63978%0.775SS**  trans73.4123155.3-75.6-178175.9-89.30119.7
44Q27.5Very low28.5Very low140 Ų140111.9 Ų111.965%0.65478%0.779SS**  85.7147.365.1-78.6-179.7-5.500113.3
45Q26.3Very low28.2Very low159 Ų159115.5 Ų115.574%0.74379%0.785SS**  cis-178.6161-11.3171.8175.91.400109.9
46A28.5Very low27.9Very low83 Ų83112.1 Ų112.169%0.68677%0.77SS**  trans65.8163.9162.600000116.9
47T26Very low27.9Very low145 Ų145113.2 Ų113.289%0.8977%0.773SS**  cis-156.8165.9-12.111.90000106.8
48G25.1Very low27.7Very low71 Ų71113.9 Ų113.973%0.73277%0.766SS**  cis-174.8-165.28.100000111.4
49A25.8Very low27.6Very low98 Ų98115.4 Ų115.481%0.8177%0.766SS**  trans-98.7-164-17600000111.1
50P42.3Very low27.4Very low124 Ų124117 Ų11781%0.80576%0.76SS**  cis-143.9-152.47.446-24.4000115.5
51A26.6Very low27.4Very low88 Ų88117.4 Ų117.473%0.72775%0.751SS**  trans77.5125.3172.600000116.1
52S25.8Very low27.2Very low105 Ų105120.3 Ų120.373%0.73475%0.747SS**  cis110.4147.613-65.80000113.8
53D26.1Very low27.5Very low169 Ų169121.2 Ų121.290%0.90475%0.75SS**  trans68.7147171.9-51-42.2000117.1
54G26.5Very low28.1Very low78 Ų78120.2 Ų120.280%0.80476%0.759SS**  cis-147.1168.42.200000113.3
55N26.8Very low28.1Very low174 Ų174117.2 Ų117.293%0.9377%0.765SS**  trans-109.4135.4-175.8-176.229.9000111.5
56G27.1Very low28.1Very low59 Ų59114.9 Ų114.961%0.60877%0.766SS**  trans-177.3132.617200000110.7
57A27.4Very low28.1Very low93 Ų93122.4 Ų122.477%0.76978%0.777SS**  cis72.9134.441.300000111.8
58V26.1Very low28.4Very low111 Ų111124.2 Ų124.267%0.67378%0.776SS**  cis-167.8167.44.8-1130000111.1
59M26.2Very low28.7Very low167 Ų167126.6 Ų126.682%0.82378%0.781SS**  trans69.2163.3144.5-75.2158.7-165.800118.9
60N25Very low28.9Very low140 Ų140129.2 Ų129.275%0.74978%0.781SS**  cis-170.4175.3-26.3-172.417.6000110
61C24.4Very low28.3Very low80 Ų80128.6 Ų128.654%0.54178%0.78SS.*  trans87.8125.1150-79.90000123.5
62H25.7Very low28.5Very low162 Ų162129.9 Ų129.975%0.7578%0.784SS**  trans71.9109.5136.3-67.4-46000120.7
63I33.8Very low28.9Very low152 Ų152133.7 Ų133.778%0.77979%0.79SS**  46126.757.9-76.6178000112.3
64P41Very low29Very low126 Ų126132.8 Ų132.882%0.81879%0.791SS**  cis-124.6176.633.536.4-20.2000115.4
65G27.2Very low29Very low77 Ų77133.3 Ų133.379%0.79479%0.787SS**  trans-136.2177.3177.800000113.2
66S26.9Very low30.1Very low110 Ų110130.5 Ų130.577%0.76978%0.779SS**  trans-154.2120.2166.2-168.80000112.1
67R29.3Very low30.1Very low241 Ų241133.2 Ų133.291%0.90978%0.783SS**  trans56.7151.3154-66.9-175167.7-176.4-4.4121.2
68Q30.6Very low30.1Very low184 Ų184136.4 Ų136.486%0.8679%0.787SS**  trans-80.9164.2-178.7-55.2151-91.900112.3
69S31.4Very low30.1Very low120 Ų120134.6 Ų134.684%0.83979%0.791SS**  -170.5162.3119-94.50000111.9
70D30Very low30.7Very low153 Ų153132 Ų13282%0.81879%0.787SS**  trans-79.2156.4-166.8-61-83.1000117.3
71S30.3Very low30.9Very low111 Ų111131.6 Ų131.678%0.77679%0.79SS**  trans-165.2136.3148.4-83.80000108.6
72S30.2Very low31.1Very low116 Ų116133.1 Ų133.181%0.81180%0.801SS**  cis93.6147.448.4-68.50000113.2
73Q34.8Very low31.2Very low184 Ų184129.5 Ų129.586%0.8680%0.799SS**  trans-69.1148.8-174.4-55.6170.36.200112.7
74T28.5Very low31.2Very low151 Ų151127.6 Ų127.693%0.92680%0.8SS**  trans177.8-175.7134.324.60000111.4
75A27Very low31.2Very low88 Ų88127.6 Ų127.673%0.72780%0.8SS**  trans-118-155-179.800000109.8
76P49.4Very low31.2Very low116 Ų116127.4 Ų127.475%0.75380%0.797SS**  -122-164.4-57.322.7-0.7000112.2
77V27Very low31.3Very low115 Ų115132.3 Ų132.370%0.69781%0.805SS**  trans105.6124.6150.9-175.70000119.2
78N26.7Very low31.6Very low160 Ų160127.2 Ų127.286%0.85680%0.795SS**  trans67.6136.9161.1-66.9-12.1000121.9
79G25.9Very low31.5Very low73 Ų73126.2 Ų126.275%0.75379%0.793SS**  trans-107-137.2170.800000112
80P39Very low31.4Very low114 Ų114131.4 Ų131.474%0.7479%0.794SS**  cis-139.7-179.527.641.1-22.6000116.9
81T30.4Very low31.2Very low131 Ų131131.1 Ų131.180%0.80480%0.798SS**  trans62.6149.3155.242.60000119.6
82S27.2Very low31Very low111 Ų111130.6 Ų130.678%0.77680%0.795SS**  cis-157.4153.1-15.1-148.40000107.1
83A29Very low30.9Very low87 Ų87133 Ų13372%0.71980%0.798SS**  cis-139.2-107.42100000115.5
84S32.8Very low30.4Very low112 Ų112130.2 Ų130.278%0.78380%0.799SS**  trans-175.8175-143.4-113.50000110.6
85P42Very low30.4Very low126 Ų126127.2 Ų127.282%0.81879%0.789SS**  cis-142.2174.2-15.633.3-13.6000115.7
86G27.5Very low30.5Very low72 Ų72132.5 Ų132.574%0.74280%0.799SS**  trans166.9109.2155.800000113.8
87F27.9Very low29.5Very low213 Ų213133.8 Ų133.893%0.93480%0.799SS**  trans-152.6169.5179.7-143-97.2000114.4
88I36.1Very low30Very low135 Ų135134 Ų13469%0.69280%0.803SS**  trans-99.3142.3-166.9-58.7165.8000112.8
89I27.7Very low30.1Very low162 Ų162130.9 Ų130.983%0.83179%0.794SS**  trans-139.2153.3151.9-77.2-165000110.9
90R30.7Very low30.2Very low229 Ų229132.8 Ų132.886%0.86479%0.791SS**  trans-96.5145.4175.3-48.6158.489.8-158.413.1110.7
91T25.9Very low29.9Very low147 Ų147132.3 Ų132.390%0.90279%0.79SS**  trans-158.3171.1150.45.20000112.5
92S26.3Very low30Very low101 Ų101131.6 Ų131.671%0.70679%0.79SS**  trans-120175.5177.754.40000111.6
93L26.2Very low30.1Very low166 Ų166130 Ų13087%0.86979%0.792SS**  trans95.9132163.6-65.1165.7000120.2
94S24.9Very low30.3Very low126 Ų126131.3 Ų131.388%0.88180%0.796SS**  trans74.5161.5150.3-142.40000119.6
95A29.7Very low30.3Very low87 Ų87131.6 Ų131.672%0.71980%0.798SS**  trans-131.8160.3-171.200000111
96Q27.9Very low29.8Very low199 Ų199130.8 Ų130.893%0.9380%0.795SS**  trans-145.7147.4159.9-111.3170.157.300110
97N28.7Very low29.9Very low144 Ų144135.9 Ų135.977%0.7780%0.799SS**  trans-96.7160.8179.1-14216.4000109
98P37.8Very low31.1Very low118 Ų118130.9 Ų130.977%0.76679%0.789SS**  -142.5160.2108.933.4-17.7000116.4
99S28.6Very low31Very low95 Ų95128.3 Ų128.366%0.66479%0.787SS**  trans-57165.816949.40000114.3
100T28.8Very low31.3Very low113 Ų113127.7 Ų127.769%0.69378%0.781SS**  -168.3156.754.847.40000115.2
101S31.5Very low31.5Very low104 Ų104123.9 Ų123.973%0.72777%0.77SS**  trans60.3148.7141.858.70000122.2
102S32.5Very low31.7Very low116 Ų116122.3 Ų122.381%0.81176%0.761SS**  cis-175.7150.2-8.645.90000114.3
103G29.9Very low31.9Very low78 Ų78123.3 Ų123.380%0.80476%0.763SS**  trans94.3153.6154.200000119
104S33.6Very low32.9Very low115 Ų115121 Ų12180%0.80476%0.758SS**  cis-174147.3-13.950.70000114.1
105S32.5Very low33.1Very low117 Ų117120.5 Ų120.582%0.81875%0.749SS**  trans71.4151.5162.9-1380000118
106S31.5Very low33.1Very low110 Ų110122.8 Ų122.877%0.76975%0.754SS**  cis-139168.48.9-61.10000113
107Q30Very low33.4Very low178 Ų178117.6 Ų117.683%0.83275%0.745SS**  trans-141.3-165.2-176.9-122.2-155.2-13.700109.2
108P51.4Low33.4Very low109 Ų109118.7 Ų118.771%0.70875%0.75SS**  cis-108.4-140.5-3.933.9-12.4000109.7
109A35.6Very low32.9Very low80 Ų80119.6 Ų119.666%0.66175%0.753SS**  cis-161.7146.30.500000109
110E34.3Very low33.2Very low150 Ų150125.8 Ų125.870%0.70176%0.762SS**  cis-125.6-82.6-16.2-77.3174.365.400109.1
111K33.1Very low33.9Very low148 Ų148125.8 Ų125.864%0.64376%0.764SS**  -144.5156.2-59.5-131.5173.8178.367.70106
112T30.7Very low35.2Very low115 Ų115126.6 Ų126.671%0.70677%0.767SS**  cis-138.9-165.95.9-39.30000109
113V30.8Very low35.5Very low122 Ų122127.3 Ų127.374%0.73977%0.768SS**  trans-144.1152.2-167.4176.90000106.8
114P46.8Very low35.7Very low117 Ų117130.4 Ų130.476%0.7677%0.771SS**  cis-128177.228.513.315.1000115.6
115T30Very low35.3Very low116 Ų116134.2 Ų134.271%0.71278%0.777SS**  cis-159.1143.6-9.6-110.70000111.3
116V28.7Very low35.1Very low135 Ų135134.6 Ų134.682%0.81877%0.774SS**  trans47.4123.6159.8175.10000120.5
117A35.1Very low34.8Very low90 Ų90134.8 Ų134.874%0.74478%0.775SS**  trans-141.2137.3156.100000110.2
118L27.9Very low34.7Very low167 Ų167130.5 Ų130.587%0.87477%0.77SS**  trans-172.3149.8177.9-121.958.9000106.7
119V28.1Very low33.5Very low136 Ų136131.7 Ų131.782%0.82477%0.771SS**  cis-156.1-169.3-7.691.20000110.7
120R34.2Very low33.2Very low226 Ų226135.2 Ų135.285%0.85377%0.773SS**  trans-159.1153.5-172.2159.6-176.6166.4-151.3-1.8109.4
121P44.1Very low32.9Very low113 Ų113132.3 Ų132.373%0.73477%0.77SS**  cis-122172.43.941.5-28.7000115.8
122P59.2Low32.9Very low121 Ų121133.1 Ų133.179%0.78678%0.776SS**  trans-109.9155.8174.739-31.5000115.4
123P37.5Very low32.8Very low130 Ų130132.4 Ų132.484%0.84478%0.776SS**  trans-109.6-172.3163.240.7-30.5000113
124V35.1Very low32.7Very low143 Ų143132.4 Ų132.487%0.86778%0.776SS**  trans-109.9124.4-176-78.70000114.4
125Q25.5Very low32Very low196 Ų196133.4 Ų133.492%0.91678%0.775SS**  -171.4170.5127.2-113.9-179.8-1900112.9
126T27.8Very low32.2Very low124 Ų124133 Ų13376%0.76178%0.777SS**  trans-86.6145.5-171.519.30000114.6
127S24.9Very low33.2Very low114 Ų114131.9 Ų131.980%0.79777%0.772SS**  164.9156.1114.3-73.10000116.1
128A27.8Very low33Very low88 Ų88133.9 Ų133.973%0.72777%0.771SS**  trans86.6137.7146.900000122.3
129N26.9Very low33.1Very low135 Ų135131.4 Ų131.472%0.72276%0.763SS**  trans58.4135.9163.9-68.940000118.4
130E28.2Very low33.1Very low153 Ų153130.3 Ų130.372%0.71576%0.756SS**  cis-165.7176-0.1-125.5-168.387.900109.7
131S29.3Very low32.8Very low89 Ų89126.4 Ų126.462%0.62275%0.751SS**  cis-132-163.70.8-53.50000108.8
132Q31.9Very low32.1Very low166 Ų166125.9 Ų125.978%0.77675%0.75SS**  cis-158.6141.96-163171.556.200109.3
133S28.5Very low30.7Very low100 Ų100125.8 Ų125.870%0.69975%0.752SS**  trans58.9143.5164.645.10000119.2
134T30.1Very low30.3Very low121 Ų121123.2 Ų123.274%0.74275%0.749SS**  cis-159.6148.7-4.412.10000110.7
135D30.7Very low29.9Very low139 Ų139123 Ų12374%0.74375%0.754SS**  trans48.397.1153.8-57.5-46.6000123.5
136S34.9Very low30Very low107 Ų107116.9 Ų116.975%0.74874%0.744SS**  34.2156.8103.1-50.90000122.3
137P50.2Low29.9Very low111 Ų111116.2 Ų116.272%0.72174%0.744SS**  cis-124.7-171.4-39.739-21.5000110.2
138N29.9Very low30.1Very low133 Ų133117 Ų11771%0.71174%0.744SS**  cis-174.4140.442-135.2-11.7000111.8
139T29.7Very low30Very low115 Ų115118 Ų11871%0.70675%0.746SS**  61.8130.7122.1-71.50000121.8
140V28Very low29.8Very low112 Ų112117 Ų11768%0.67975%0.748SS**  cis-172.4166.4-3.8760000114.2
141L28.1Very low29.8Very low145 Ų145119 Ų11976%0.75975%0.754SS**  trans65.2133.3162-63.1176.8000118.3
142S29.7Very low29.7Very low101 Ų101119.8 Ų119.871%0.70676%0.755SS**  78.9140.652.3-69.90000114.5
143S29.5Very low29.3Very low119 Ų119120.4 Ų120.483%0.83276%0.758SS**  cis-169.3154-8.4-88.10000110.8
144G28.8Very low29.4Very low76 Ų76119.9 Ų119.978%0.78476%0.76SS**  trans115.1126.4144.400000121.4
145S27.2Very low29.4Very low138 Ų138119.2 Ų119.297%0.96576%0.756SS**  trans44.1135.4139.6-155.10000123.4
146G27.7Very low29.5Very low68 Ų68121.9 Ų121.970%0.70176%0.761SS**  trans147.29014700000120.6
147S26.9Very low29.3Very low111 Ų111121.8 Ų121.878%0.77676%0.76SS**  42.9121.8126.3-172.90000123.5
148V28Very low28.3Very low131 Ų131123.7 Ų123.779%0.79476%0.762SS**  trans83.8105.6139.9170.10000121.9
149S26.3Very low28.3Very low108 Ų108123.2 Ų123.276%0.75577%0.765SS**  trans72.6164.6130.7-151.40000124
150C22.9Very low28.5Very low114 Ų114126.5 Ų126.577%0.7777%0.772SS**  trans73.789.8161.6-66.30000121.6
151K27.1Very low28.7Very low196 Ų196125.7 Ų125.785%0.85278%0.777SS**  14.4141.4127.3-152.4-167.6-179.3-177.10120.7
152T27.3Very low28.8Very low105 Ų105122.3 Ų122.364%0.64478%0.777SS**  trans99.2126.7147.2-6.60000121.2
153E24.3Very low28.9Very low179 Ų179121.8 Ų121.884%0.83678%0.779SS**  trans52.3104.8153-84.1169.594.600124.7
154A29.5Very low28.9Very low88 Ų88124.3 Ų124.373%0.72778%0.778SS**  32.8143.5122.500000123.1
155T30.2Very low28.9Very low108 Ų108127 Ų12766%0.66378%0.778SS**  157.7123.9109-69.90000115.7
156K33.6Very low29Very low195 Ų195127.7 Ų127.785%0.84877%0.77SS**  trans69.6159.8153-79169.6-160.3165.40119.8
157S30.6Very low30.1Very low105 Ų105129.6 Ų129.673%0.73477%0.771SS**  cis-167.8-159.1-14-1720000110
158I30.1Very low30.2Very low150 Ų150130.4 Ų130.477%0.76978%0.776SS**  trans85.2118.5164.3-72169.7000113.4
159T29.6Very low30.3Very low124 Ų124127.7 Ų127.776%0.76177%0.774SS**  cis-154171.714.8-3.30000110.4
160Q33.1Very low30.4Very low184 Ų184128.9 Ų128.986%0.8678%0.777SS**  cis-144.8-76.92.6-170.3178.1300114.6
161A33.2Very low30.8Very low94 Ų94130.6 Ų130.678%0.77778%0.778SS**  trans-156.1163-160.400000111.9
162G28.5Very low30.8Very low74 Ų74127 Ų12776%0.76377%0.772SS**  cis149.9168.6-1.300000111.7
163A32.4Very low31Very low90 Ų90126.3 Ų126.374%0.74478%0.778SS**  cis-165.7150.5-1300000111.7
164Q28.8Very low31.4Very low173 Ų173123.8 Ų123.881%0.80878%0.775SS**  trans44.1131.9135.5-64.1-72.8-2.500122.4
165V28.5Very low31.5Very low131 Ų131126.5 Ų126.579%0.79477%0.774SS**  169.6148.8118154.50000112.1
166L30.6Very low31.6Very low153 Ų153131.4 Ų131.480%0.80178%0.78SS**  trans-126.5-179.7175.5-102.985000108.4
167P50.3Low31.3Very low109 Ų109129.4 Ų129.471%0.70878%0.779SS**  cis-136.3-172-12.636.2-15.9000115
168S29.6Very low32.6Very low128 Ų128128.8 Ų128.890%0.89577%0.772SS**  trans76.2152.4144.1-150.10000120.8
169G29Very low32.8Very low73 Ų73127.6 Ų127.675%0.75377%0.772SS**  trans133.487.4160.100000118.8
170V30.2Very low33Very low134 Ų134127.2 Ų127.281%0.81277%0.769SS**  trans-37.5143.6167.5175.80000117.3
171L29.5Very low32.9Very low150 Ų150124.9 Ų124.979%0.78576%0.762SS**  -179.6121.7125.6-95.4174000116.7
172T28.2Very low32.9Very low119 Ų119127.7 Ų127.773%0.7376%0.759SS**  trans33.5144.1143.354.50000126.3
173A30.3Very low33Very low92 Ų92130 Ų13076%0.7675%0.754SS**  trans84.6149.9142.700000120.5
174T32.8Very low32.9Very low126 Ų126133.9 Ų133.977%0.77376%0.759SS**  cis-170.2131.9-16.6-95.10000113.7
175M32.4Very low33Very low144 Ų144136.8 Ų136.871%0.70976%0.762SS**  trans72.1139.3150.7-74.3-80.1170.100126.6
176R31.6Very low33.2Very low212 Ų212135.7 Ų135.780%0.876%0.756SS**  trans69.9121.4146.1-65.1157.4-161.2-179.62.8119.4
177N27.7Very low33Very low153 Ų153135.5 Ų135.582%0.81876%0.761SS**  cis76.8148.725.7-141.521.5000113.6
178P57.6Low32.1Very low91 Ų91138 Ų13859%0.59177%0.768SS**  cis-147.8-166640.9-17.3000118.9
179T35.1Very low31.9Very low125 Ų125136.8 Ų136.877%0.76776%0.76SS**  trans73151.2148.342.60000122.8
180V33.3Very low31.8Very low116 Ų116137.9 Ų137.970%0.70376%0.756SS**  cis-174168.3-15.567.30000114.3
181L31.9Very low31.8Very low135 Ų135137.8 Ų137.871%0.70776%0.755SS**  trans72.4159.8162.8-59.6175.3000118.2
182Q31.8Very low31.8Very low153 Ų153138 Ų13872%0.71576%0.756SS**  cis-156.5144.90.6-134.2163.722.100116
183N30.9Very low31.7Very low124 Ų124137.5 Ų137.566%0.66376%0.757SS**  trans33.5128.5142.6-68.916.7000127.8
184M31.3Very low31.5Very low170 Ų170137.7 Ų137.784%0.83776%0.759SS**  trans65.2154.6135.7-52.2-62.5157.400119.7
185R29.8Very low31.2Very low234 Ų234136 Ų13688%0.88376%0.757SS**  cis-159177.120.5-153.6-170174.5162.70.4112.6
186T32.6Very low32.1Very low109 Ų109134.9 Ų134.967%0.66976%0.761SS**  trans-66159176540000118.2
187T26.8Very low32.4Very low148 Ų148130.7 Ų130.791%0.90876%0.761SS**  -164.1173.2126.915.30000114
188L31.1Very low32.5Very low161 Ų161127.2 Ų127.284%0.84376%0.762SS**  trans-122.4161.7-176.3-73.7166.3000112.9
189S25.9Very low31.1Very low104 Ų104126 Ų12673%0.72777%0.766SS**  trans78.7130.3143.8-69.60000123.8
190S27.6Very low31Very low96 Ų96127.4 Ų127.467%0.67177%0.767SS**  trans83.8115.1133-640000123.8
191T28.6Very low30.9Very low131 Ų131132.2 Ų132.280%0.80477%0.773SS**  trans69159.6139.461.60000117.4
192I30.5Very low30.8Very low156 Ų156131.2 Ų131.280%0.877%0.772SS**  cis-141.2147.430.4-71.3173000113.9
193S25.9Very low30.8Very low107 Ų107131.1 Ų131.175%0.74878%0.775SS**  trans-19.6140.9159.4-166.30000122.7
194A25.8Very low30.6Very low96 Ų96129.1 Ų129.179%0.79378%0.776SS**  trans-162113.3134.100000108.4
195A27.2Very low31.1Very low90 Ų90126.6 Ų126.674%0.74477%0.772SS**  83.8101.867.600000114
196P51.3Low31Very low121 Ų121123.2 Ų123.279%0.78677%0.766SS**  trans-110.6171.7-178.341.4-34.5000114.6
197P37.4Very low30.7Very low124 Ų124123.9 Ų123.981%0.80577%0.77SS**  trans-125.1156.9134.337-28.1000110.8
198G29.7Very low30.7Very low81 Ų81124.4 Ų124.484%0.83577%0.766SS**  cis98.612715.800000110.5
199G28.2Very low30.4Very low66 Ų66120.7 Ų120.768%0.6876%0.759SS**  cis167.8-166.4-0.900000108.4
200I32.6Very low30.7Very low153 Ų153121.9 Ų121.979%0.78576%0.764SS**  trans156.8107.7140.7-82.9161.7000113.9
201R33.3Very low30.9Very low217 Ų217127.2 Ų127.282%0.81977%0.77SS**  trans61.4158.3136.2-57.1-179.9-168.4-107.4-2.1120.2
202T29.6Very low30.9Very low114 Ų114127.3 Ų127.370%0.69976%0.764SS**  cis-139.2-165.71.2-15.50000108.1
203I31.9Very low30.7Very low152 Ų152125.8 Ų125.878%0.77976%0.762SS**  cis-152.9150.56.110.8173.5000106.1
204A25.2Very low31.3Very low82 Ų82129.2 Ų129.268%0.67877%0.767SS**  cis74.9144.713.100000117.1
205P42.8Very low31.8Very low116 Ų116129.9 Ų129.975%0.75376%0.763SS**  cis-123.6-174.75.443.8-29.8000115.3
206Q26.9Very low31.8Very low163 Ų163134.1 Ų134.176%0.76277%0.767SS**  trans14.1149.9140.9-60.6-67.2-4.300119.6
207V26.8Very low31Very low124 Ų124136.4 Ų136.475%0.75277%0.767SS**  -153.4145.753.2-152.80000115.7
208L27.2Very low30.6Very low159 Ų159138.3 Ų138.383%0.83277%0.771SS**  trans80.4139.8150.7-122.370.7000121.9
209A24.7Very low31Very low83 Ų83139 Ų13969%0.68677%0.769SS**  trans-102.5-175.3164.800000108.7
210P32Very low31.1Very low128 Ų128142.2 Ų142.283%0.83178%0.775SS**  cis-143-165.437.642.7-20.9000116.5
211R31.1Very low30.9Very low209 Ų209139.5 Ų139.579%0.78977%0.77SS**  trans-80.6161.7178.7154.1-174.6176.8-116.5-0.1113
212L29.5Very low30.9Very low132 Ų132136.2 Ų136.269%0.69177%0.767SS**  trans74137.3176-76150.3000113.3
213T26Very low31.3Very low124 Ų124138.7 Ų138.776%0.76177%0.77SS**  cis-139.3166.326.951.80000114.9
214Q37.8Very low32.1Very low180 Ų180138.1 Ų138.184%0.84177%0.769SS**  trans-62.6152.4154-162177.211.400108.7
215P37.5Very low33.7Very low109 Ų109139.4 Ų139.471%0.70876%0.763SS**  cis-138.2-161.727.643.9-24.7000115.8
216Q25.5Very low34.1Very low179 Ų179141.8 Ų141.884%0.83677%0.765SS**  trans115.5137.6145.3-157.8164.63.300117.6
217Q36.4Very low35.9Very low169 Ų169137.4 Ų137.479%0.7975%0.746SS**  trans-78.1140.3-177-56.2144.9-33.800111.1
218N27.2Very low37.8Very low165 Ų165135.3 Ų135.388%0.88273%0.734SS**  -163.8167.5115.9-111.7-43000113.2
219A38.1Very low39.5Very low95 Ų95133 Ų13379%0.78574%0.738SS**  trans-86.6149.5-165.200000114.8
220T30.4Very low41.8Very low134 Ų134130.4 Ų130.482%0.82272%0.72SS**  trans-135.9123.2165.531.40000112.3
221S28.1Very low44.1Very low96 Ų96128 Ų12867%0.67170%0.699SS**  trans22.7112.1151.9-155.50000119.7Q223S221-Q223 PolarHBondContact O-N 3.2Å
222I33.5Very low46.5Very low148 Ų148120.2 Ų120.276%0.75967%0.674SS**  trans-79107.7158.1-59.7-67.5000108.5I225I222-I225 HydrophobicContact CG2-CD1 4.14Å
223Q38.7Very low48.9Very low165 Ų165116.8 Ų116.877%0.77166%0.656SS**  trans-100.2131.4165.6-69.8-166.75.500111.4S221S221-Q223 PolarHBondContact O-N 3.2Å
224N47.6Very low51.5Low140 Ų140112.8 Ų112.875%0.74963%0.631SS**  trans39.377.4157-161.732.6000118.4Q226N224-Q226 PolarHBondContact O-N 3.15Å
225I60.3Low53.5Low109 Ų109112.9 Ų112.956%0.55962%0.624SS**  trans-88.5100.1166.4-58.6169.2000108.8I222 I227I222-I225 HydrophobicContact CG2-CD1 4.14Å; I225-I227 HydrophobicContact CG2-CG1 4.39Å; I225-I227 PolarHBondContact O-N 3.41Å
226Q50.3Low55.3Low167 Ų167109.2 Ų109.278%0.7860%0.601SS**  trans-82.1106.5178.3-170.5155.79.600111.3N224N224-Q226 PolarHBondContact O-N 3.15Å
227I65Low57.7Low71 Ų71110.6 Ų110.636%0.36461%0.607SS.*PPolyproline II helixtrans-81.3127.5-177.8-57176.6000110.1I225 M231 L233 M243I225-I227 HydrophobicContact CG2-CG1 4.39Å; I225-I227 PolarHBondContact O-N 3.41Å; I227-M231 HydrophobicContact CG2-CB 3.8Å; I227-M231 WeakPolarHBondContact CG2-O 3.32Å; I227-L233 HydrophobicContact CD1-CB 4.27Å; I227-L233 HydrophobicContact CD1-CD1 4.1Å; I227-L233 HydrophobicContact CG1-CD1 4.49Å; I227-M243 HydrophobicContact CG2-CE 4.39Å
228P66.4Low59.5Low79 Ų79106.7 Ų106.751%0.51360%0.599SS.*PPolyproline II helixtrans-62.9147.6176-24.535.2000113.6G230 M231P228-G230 PolarHBondContact O-N 3.43Å; P228-M231 WeakPolarHBondContact O-CB 3.36Å; P228-M231 PolarHBondContact O-N 3.33Å
229A64.3Low61.8Low110 Ų110100.1 Ų100.191%0.90957%0.57SS**THydrogen-bonded Turntrans-56.5128.5-179.300000112.2
230G72.1Confident63.5Low30 Ų30102 Ų10231%0.30956%0.562SS.*THydrogen-bonded Turntrans90.9-10.1-177.400000115.2P228 H245 Q246P228-G230 PolarHBondContact O-N 3.43Å; G230-H245 PolarHBondContact O-ND1 3.35Å; G230-Q246 WeakPolarHBondContact O-CB 3.25Å; G230-Q246 PolarHBondContact O-N 3.25Å
231M79.8Confident65.9Low77 Ų77101.1 Ų101.138%0.37955%0.552SS.*EExtended strand (participates in β ladder)trans-91.4149.2168.7-67.1-60.5-165.100111.5I227 P228 M243 H245I227-M231 HydrophobicContact CG2-CB 3.8Å; I227-M231 WeakPolarHBondContact CG2-O 3.32Å; P228-M231 WeakPolarHBondContact O-CB 3.36Å; P228-M231 PolarHBondContact O-N 3.33Å; M231-M243 HydrophobicContact CB-CG 3.74Å; M231-M243 HydrophobicContact CB-SD 3.86Å; M231-M243 HydrophobicContact CG-CG 4.02Å; M231-M243 HydrophobicContact CG-SD 3.88Å; M231-M243 HydrophobicContact SD-CG 4.17Å; M231-H245 HydrophobicContact SD-CB 3.97Å
232V81.2Confident68.2Low46 Ų46100.6 Ų100.628%0.27954%0.541SS..EExtended strand (participates in β ladder)trans-134.8134175.4-177.50000108.7V234 I244 Q246V232-V234 HydrophobicContact CG1-CG2 4.36Å; V232-I244 PolarHBondContact N-O 2.91Å; V232-I244 PolarHBondContact O-N 3.24Å; V232-Q246 HydrophobicContact CG2-CB 4.2Å; V232-Q246 HydrophobicContact CG2-CG 4.3Å
233L81.1Confident70.5Confident60 Ų6098 Ų9831%0.31453%0.527SS..EExtended strand (participates in β ladder)trans-78.4122.4169.4-113.468.3000109.8I227 L241 L242 M243I227-L233 HydrophobicContact CD1-CB 4.27Å; I227-L233 HydrophobicContact CD1-CD1 4.1Å; I227-L233 HydrophobicContact CG1-CD1 4.49Å; L233-L241 HydrophobicContact CD2-CB 4.03Å; L233-L241 HydrophobicContact CD2-CD1 4.2Å; L233-L241 HydrophobicContact CG-CB 4.37Å; L233-L242 WeakPolarHBondContact CA-O 3.5Å; L233-M243 HydrophobicContact CD1-CB 3.9Å; L233-M243 HydrophobicContact CD1-CE 3.59Å; L233-M243 HydrophobicContact CD1-CG 4.06Å
234V79.7Confident72.3Confident39 Ų3992 Ų9224%0.23650%0.5CS..EExtended strand (participates in β ladder)trans-117.1128.2178.8-176.70000108.3V232 L242 I244 L249V232-V234 HydrophobicContact CG1-CG2 4.36Å; V234-L242 PolarHBondContact N-O 2.83Å; V234-L242 PolarHBondContact O-N 2.91Å; V234-I244 HydrophobicContact CB-CD1 3.99Å; V234-I244 HydrophobicContact CB-CG1 4.47Å; V234-I244 HydrophobicContact CG1-CD1 4.46Å; V234-I244 HydrophobicContact CG2-CB 4.2Å; V234-I244 HydrophobicContact CG2-CD1 4.11Å; V234-I244 HydrophobicContact CG2-CG1 4.35Å; V234-L249 HydrophobicContact CG2-CD1 4.19Å; V234-L249 HydrophobicContact CG2-CD2 3.87Å
235R80Confident73.9Confident183 Ų18389 Ų8969%0.69148%0.481SS*.EExtended strand (participates in β ladder)trans-82.7126.2176.2-165-178.7179.3-138.2-1.4109.7G239 Q240 L241R235-G239 PolarHBondContact NE-O 2.77Å; R235-Q240 CarbonylContact C-O 3.13Å; R235-Q240 VanDerWaalsContact CA-O 3.27Å; R235-Q240 WeakPolarHBondContact CA-O 3.31Å; R235-L241 HydrophobicContact CB-CD2 3.89Å; R235-L241 HydrophobicContact CG-CD2 4.08Å
236S75.8Confident74.8Confident31 Ų3189.8 Ų89.822%0.21748%0.483CS..  trans-69.4162.8170.164.50000111.2S238 G239 Q240S236-S238 PolarHBondContact O-N 2.84Å; S236-S238 PolarHBondContact OG-N 2.99Å; S236-S238 PolarHBondContact OG-OG 3.19Å; S236-G239 WeakPolarHBondContact O-CA 3.46Å; S236-G239 PolarHBondContact O-N 3.28Å; S236-G239 PolarHBondContact OG-N 3.11Å; S236-Q240 PolarHBondContact N-O 3.29Å; S236-Q240 PolarHBondContact OG-N 3.45Å; S236-Q240 PolarHBondContact OG-O 2.91Å
237E76.4Confident76.2Confident208 Ų20888.9 Ų88.997%0.97248%0.478SS*.THydrogen-bonded Turntrans-60.3-32169.366.2-162.2162.800112.3G239E237-G239 PolarHBondContact O-N 2.93Å; E237-G239 VanDerWaalsContact O-N 3.14Å
238S74.5Confident76.7Confident87 Ų8788.8 Ų88.861%0.60848%0.481SS*.THydrogen-bonded Turntrans-71.45169.558.50000114.4S236 Q240S236-S238 PolarHBondContact O-N 2.84Å; S236-S238 PolarHBondContact OG-N 2.99Å; S236-S238 PolarHBondContact OG-OG 3.19Å; S238-Q240 VanDerWaalsContact C-N 3.31Å; S238-Q240 PolarHBondContact O-N 2.95Å
239G74.6Confident77.2Confident27 Ų2786.9 Ų86.928%0.27847%0.466SS..SBendtrans82.5-5.4171.600000116.2R235 S236 E237R235-G239 PolarHBondContact NE-O 2.77Å; S236-G239 WeakPolarHBondContact O-CA 3.46Å; S236-G239 PolarHBondContact O-N 3.28Å; S236-G239 PolarHBondContact OG-N 3.11Å; E237-G239 PolarHBondContact O-N 2.93Å; E237-G239 VanDerWaalsContact O-N 3.14Å
240Q73.6Confident77.5Confident134 Ų13484.6 Ų84.663%0.62645%0.448SS*.  trans-76.2155.7179.4-59.5-1770.900111.4R235 S236 S238 L242R235-Q240 CarbonylContact C-O 3.13Å; R235-Q240 VanDerWaalsContact CA-O 3.27Å; R235-Q240 WeakPolarHBondContact CA-O 3.31Å; S236-Q240 PolarHBondContact N-O 3.29Å; S236-Q240 PolarHBondContact OG-N 3.45Å; S236-Q240 PolarHBondContact OG-O 2.91Å; S238-Q240 VanDerWaalsContact C-N 3.31Å; S238-Q240 PolarHBondContact O-N 2.95Å; Q240-L242 HydrophobicContact CB-CD1 4.43Å
241L80.5Confident77.3Confident117 Ų11790.3 Ų90.361%0.61347%0.467SS*.EExtended strand (participates in β ladder)trans-105.5112-179.9-66.9169000110.2L233 R235L233-L241 HydrophobicContact CD2-CB 4.03Å; L233-L241 HydrophobicContact CD2-CD1 4.2Å; L233-L241 HydrophobicContact CG-CB 4.37Å; R235-L241 HydrophobicContact CB-CD2 3.89Å; R235-L241 HydrophobicContact CG-CD2 4.08Å
242L77Confident76.7Confident84 Ų8492.5 Ų92.544%0.4448%0.477SS..EExtended strand (participates in β ladder)trans-103.2136.7177.3-66.389.4000110.1L233 V234 Q240 I244L233-L242 WeakPolarHBondContact CA-O 3.5Å; V234-L242 PolarHBondContact N-O 2.83Å; V234-L242 PolarHBondContact O-N 2.91Å; Q240-L242 HydrophobicContact CB-CD1 4.43Å; L242-I244 HydrophobicContact CB-CD1 4.39Å; L242-I244 HydrophobicContact CB-CG1 4.24Å
243M82.2Confident76Confident94 Ų9495.3 Ų95.346%0.46349%0.487SS..EExtended strand (participates in β ladder)trans-87.5115.3173.1-170.6175.3-69.500109.6I227 M231 L233I227-M243 HydrophobicContact CG2-CE 4.39Å; M231-M243 HydrophobicContact CB-CG 3.74Å; M231-M243 HydrophobicContact CB-SD 3.86Å; M231-M243 HydrophobicContact CG-CG 4.02Å; M231-M243 HydrophobicContact CG-SD 3.88Å; M231-M243 HydrophobicContact SD-CG 4.17Å; L233-M243 HydrophobicContact CD1-CB 3.9Å; L233-M243 HydrophobicContact CD1-CE 3.59Å; L233-M243 HydrophobicContact CD1-CG 4.06Å
244I77.1Confident74.6Confident40 Ų4095.9 Ų95.921%0.20550%0.5CS..EExtended strand (participates in β ladder)trans-123.8137.6-174.4-57.2-177000109.4V232 V234 L242 T248 L249V232-I244 PolarHBondContact N-O 2.91Å; V232-I244 PolarHBondContact O-N 3.24Å; V234-I244 HydrophobicContact CB-CD1 3.99Å; V234-I244 HydrophobicContact CB-CG1 4.47Å; V234-I244 HydrophobicContact CG1-CD1 4.46Å; V234-I244 HydrophobicContact CG2-CB 4.2Å; V234-I244 HydrophobicContact CG2-CD1 4.11Å; V234-I244 HydrophobicContact CG2-CG1 4.35Å; L242-I244 HydrophobicContact CB-CD1 4.39Å; L242-I244 HydrophobicContact CB-CG1 4.24Å; I244-T248 HydrophobicContact CG2-CG2 4.44Å; I244-L249 HydrophobicContact CG2-CB 4.38Å
245H79.9Confident73.3Confident76 Ų76101.9 Ų101.935%0.35253%0.526SS..EExtended strand (participates in β ladder)trans-69.9137.7177-17069.1000111.2G230 M231 Q247 T248 L249G230-H245 PolarHBondContact O-ND1 3.35Å; M231-H245 HydrophobicContact SD-CB 3.97Å; H245-Q247 VanDerWaalsContact C-N 3.28Å; H245-Q247 PolarHBondContact O-N 3.18Å; H245-Q247 VanDerWaalsContact O-N 3.16Å; H245-T248 WeakPolarHBondContact O-CB 3.36Å; H245-T248 PolarHBondContact O-N 3.07Å; H245-L249 PolarHBondContact O-N 3.31Å
246Q80.4Confident72Confident126 Ų12697 Ų9759%0.58953%0.525SS*.Hα-helixtrans-58.8-35.8-167.5-169.6178.899.100113.6G230 V232 A250G230-Q246 WeakPolarHBondContact O-CB 3.25Å; G230-Q246 PolarHBondContact O-N 3.25Å; V232-Q246 HydrophobicContact CG2-CB 4.2Å; V232-Q246 HydrophobicContact CG2-CG 4.3Å; Q246-A250 PolarHBondContact O-N 2.93Å
247Q78.8Confident70.6Confident147 Ų147104.1 Ų104.169%0.68756%0.555SS**Hα-helixtrans-69-34.7177.6-58.4-171.93.800112.8H245 A250 Q251H245-Q247 VanDerWaalsContact C-N 3.28Å; H245-Q247 PolarHBondContact O-N 3.18Å; H245-Q247 VanDerWaalsContact O-N 3.16Å; Q247-A250 PolarHBondContact O-N 3.01Å; Q247-Q251 PolarHBondContact O-N 3.34Å
248T76.3Confident69.2Low69 Ų6999.1 Ų99.142%0.42354%0.543SS..Hα-helixtrans-66.5-40.7178-470000111.2I244 H245 A250 Q251 M252I244-T248 HydrophobicContact CG2-CG2 4.44Å; H245-T248 WeakPolarHBondContact O-CB 3.36Å; H245-T248 PolarHBondContact O-N 3.07Å; T248-A250 VanDerWaalsContact C-N 3.29Å; T248-A250 PolarHBondContact O-N 2.92Å; T248-Q251 PolarHBondContact O-N 2.78Å; T248-M252 PolarHBondContact O-N 3.4Å
249L75.8Confident67.7Low39 Ų39103.4 Ų103.420%0.20455%0.553CS.*Hα-helixtrans-63.2-36176.3-174.662000112.1V234 I244 H245 Q253V234-L249 HydrophobicContact CG2-CD1 4.19Å; V234-L249 HydrophobicContact CG2-CD2 3.87Å; I244-L249 HydrophobicContact CG2-CB 4.38Å; H245-L249 PolarHBondContact O-N 3.31Å; L249-Q253 WeakPolarHBondContact O-CG 3.43Å; L249-Q253 PolarHBondContact O-N 2.92Å
250A71Confident65.6Low63 Ų63108.2 Ų108.252%0.52158%0.583SS.*Hα-helixtrans-67.1-39.6175.700000112.6Q246 Q247 T248 A254Q246-A250 PolarHBondContact O-N 2.93Å; Q247-A250 PolarHBondContact O-N 3.01Å; T248-A250 VanDerWaalsContact C-N 3.29Å; T248-A250 PolarHBondContact O-N 2.92Å; A250-A254 PolarHBondContact O-N 2.86Å; A250-A254 VanDerWaalsContact O-N 3.15Å
251Q68.5Low63.5Low150 Ų150106.6 Ų106.670%0.70159%0.592SS**Hα-helixtrans-67.5-42.6175-77.6-172.1-7.300112.7Q247 T248 Q253 A254 Q255Q247-Q251 PolarHBondContact O-N 3.34Å; T248-Q251 PolarHBondContact O-N 2.78Å; Q251-Q253 VanDerWaalsContact C-N 3.3Å; Q251-Q253 PolarHBondContact O-N 3.4Å; Q251-A254 PolarHBondContact O-N 2.96Å; Q251-Q255 PolarHBondContact O-N 2.82Å
252M67.3Low61.3Low122 Ų122107.8 Ų107.860%0.60160%0.604SS**Hα-helixtrans-58.8-41.1176.4-77.2-178.866.100112.3T248 Q255 A256T248-M252 PolarHBondContact O-N 3.4Å; M252-Q255 PolarHBondContact O-N 2.88Å; M252-A256 PolarHBondContact O-N 3.04Å
253Q65Low59.1Low106 Ų106110.6 Ų110.650%0.49563%0.625SS.*Hα-helixtrans-70.4-32.7178.2-71177.615.900112.6L249 Q251 Q255L249-Q253 WeakPolarHBondContact O-CG 3.43Å; L249-Q253 PolarHBondContact O-N 2.92Å; Q251-Q253 VanDerWaalsContact C-N 3.3Å; Q251-Q253 PolarHBondContact O-N 3.4Å; Q253-Q255 VanDerWaalsContact C-N 3.32Å; Q253-Q255 PolarHBondContact O-N 3.39Å
254A52.3Low56.7Low71 Ų71112.4 Ų112.459%0.58764%0.644SS**Hα-helixtrans-66.8-30.2176.700000113.5A250 Q251A250-A254 PolarHBondContact O-N 2.86Å; A250-A254 VanDerWaalsContact O-N 3.15Å; Q251-A254 PolarHBondContact O-N 2.96Å
255Q53.4Low54.4Low166 Ų166121.6 Ų121.678%0.77668%0.676SS**Hα-helixtrans-87.6-21.8-177-160.9168.49.400113.7Q251 M252 Q253 Q257Q251-Q255 PolarHBondContact O-N 2.82Å; M252-Q255 PolarHBondContact O-N 2.88Å; Q253-Q255 VanDerWaalsContact C-N 3.32Å; Q253-Q255 PolarHBondContact O-N 3.39Å; Q255-Q257 VanDerWaalsContact C-N 3.32Å; Q255-Q257 PolarHBondContact O-N 3.47Å
256A51.8Low52.2Low81 Ų81124 Ų12467%0.66970%0.698SS**Hα-helixtrans-74.3-18.1179.100000114.1M252 S258M252-A256 PolarHBondContact O-N 3.04Å; A256-S258 PolarHBondContact O-N 3.04Å
257Q46Very low49.7Very low179 Ų179122.9 Ų122.984%0.83671%0.711SS**THydrogen-bonded Turntrans-895.1-169.7-147.3167.223.100114.5Q255Q255-Q257 VanDerWaalsContact C-N 3.32Å; Q255-Q257 PolarHBondContact O-N 3.47Å
258S46.8Very low47.1Very low103 Ų103120.5 Ų120.572%0.7272%0.716SS**THydrogen-bonded Turntrans-94.8-1.9-175.7-52.50000115.4A256A256-S258 PolarHBondContact O-N 3.04Å
259Q43.2Very low45.6Very low178 Ų178122.9 Ų122.983%0.83273%0.732SS**SBendtrans-141.479.1178.7-66.8-170.925.100112.8
260S31Very low43.3Very low128 Ų128127.4 Ų127.490%0.89576%0.762SS**  trans-167.596.9159-85.10000110.4
261A29.1Very low41.1Very low100 Ų100128.7 Ų128.783%0.82677%0.767SS**  trans-150.553-178.800000112.6
262T33.8Very low39.3Very low142 Ų142127.8 Ų127.887%0.87177%0.772SS**  trans-131.9145.6168.246.70000110.1
263T32.2Very low38Very low142 Ų142127.3 Ų127.387%0.87178%0.778SS**  trans-105.7157.5-170.349.30000112.6
264P31.3Very low37.2Very low132 Ų132127.8 Ų127.886%0.85779%0.79SS**  trans-123163.3146.635.6-26.3000112.8
265R29.4Very low36Very low234 Ų234129.7 Ų129.788%0.88379%0.794SS**  trans-127.9145.2-173.7171.4-175.5168.2176.8-2.7109.5
266P32.6Very low34.7Very low126 Ų126129.8 Ų129.882%0.81880%0.795SS**  trans-70.3165.1178.828.1-34.7000113.8
267A27.9Very low33.5Very low103 Ų103132.3 Ų132.385%0.85180%0.802SS**  trans-123.2172.9-145.300000116.8
268A25Very low32.6Very low96 Ų96128.1 Ų128.179%0.79380%0.798SS**  trans-146.6163.1165.800000109.1
269P44.4Very low31.6Very low119 Ų119128.2 Ų128.277%0.77380%0.799SS**  trans-108.9168.6-148.340.1-36.6000116.6
270T28.1Very low30.8Very low134 Ų134126.4 Ų126.482%0.82279%0.794SS**  166.1128.5127.7-71.30000114.4
271S24.9Very low30.7Very low91 Ų91128.5 Ų128.564%0.63679%0.789SS**  trans48.2124.6149.3-147.80000125.7
272T30.3Very low30.5Very low131 Ų131129.8 Ų129.880%0.80479%0.787SS**  trans73.2157.6138440000123.2
273P39.4Very low30.8Very low112 Ų112129.2 Ų129.273%0.72779%0.786SS**  trans-124.6-158.7-161.947.2-32.8000113.6
274P48.1Very low30.6Very low115 Ų115126.3 Ų126.375%0.74778%0.784SS**  cis-126.9-159.6-28.826.8-3.5000112.8
275V26.7Very low30.5Very low111 Ų111123.5 Ų123.567%0.67378%0.779SS**  trans127.3112.1143.81740000118.3
276Q27.2Very low31.5Very low169 Ų169117.8 Ų117.879%0.7977%0.772SS**  trans48.5167.2140.1-53.5173.714.800121.4
277V26.9Very low31.4Very low133 Ų133118.9 Ų118.981%0.80677%0.771SS**  cis-145.5-174.45.5-135.60000112
278A26.4Very low31.6Very low92 Ų92121.9 Ų121.976%0.7677%0.772SS**  trans-64.6-179.8173.100000114.1
279S26.8Very low31.7Very low105 Ų105121.6 Ų121.673%0.73477%0.769SS**  cis-176.7178.23871.30000109.5
280L26Very low30.9Very low140 Ų140126.9 Ų126.973%0.73377%0.774SS**  cis-166.7176.4-12.4-121.5175.2000110.4
281Q28.1Very low30.9Very low171 Ų171125 Ų12580%0.79977%0.765SS**  trans60.8130.7150.8-91.2154.6-14.300124.4
282T25.6Very low31.1Very low128 Ų128126.9 Ų126.979%0.78577%0.773SS**  trans-93.8-170.6153.357.80000109.1
283P39.4Very low31.2Very low129 Ų129126.5 Ų126.584%0.83877%0.771SS**  cis-133-175.8-6.742.4-25.8000114.6
284G28.1Very low31.3Very low81 Ų81126.6 Ų126.684%0.83577%0.771SS**  trans140.6140.815200000118
285G29.1Very low30.5Very low73 Ų73126.2 Ų126.275%0.75377%0.767SS**  trans-132.8-156.1155.600000108.1
286P50.6Low30.6Very low114 Ų114127.3 Ų127.374%0.7477%0.774SS**  cis-139-159.51.429.3-3.4000113.6
287L29.6Very low30.8Very low150 Ų150125 Ų12579%0.78577%0.766SS**  trans92.9147.7155.2-49.7178.1000120.5
288L34.1Very low31.1Very low166 Ų166125.9 Ų125.987%0.86977%0.765SS**  trans60.8143.1166.3-45.6-172.6000117.9
289A26.5Very low31.2Very low89 Ų89129.2 Ų129.274%0.73676%0.762SS**  cis158.3156.7-29.200000107.6
290R27.2Very low31.2Very low231 Ų231132 Ų13287%0.87276%0.764SS**  trans77.8100.8155.6-174.8170.6147.397.1-7.8119.6
291S28.2Very low31.3Very low93 Ų93129.2 Ų129.265%0.6577%0.768SS**  trans46.9148.5135.8680000121.7
292V28.9Very low31.4Very low131 Ų131126.4 Ų126.479%0.79477%0.768SS**  cis-155.1177.226.8-135.30000112.2
293T33.4Very low32Very low124 Ų124126.1 Ų126.176%0.76177%0.768SS**  trans-57.9163.7163.817.50000113.8
294P39.6Very low31.3Very low113 Ų113125.4 Ų125.473%0.73476%0.761SS**  cis-153.8162.948.941.6-19.4000121.9
295T32.8Very low31.2Very low107 Ų107129.6 Ų129.666%0.65676%0.759SS**  trans41.8123.8137.5-48.40000124.8I297T295-I297 HydrophobicContact CG2-CD1 3.36Å; T295-I297 HydrophobicContact CG2-CG1 3.89Å
296T28.9Very low31Very low135 Ų135131.2 Ų131.283%0.82875%0.754SS**  trans-172.3143.1141.8-77.40000109.5
297I31Very low29.9Very low120 Ų120131.5 Ų131.562%0.61575%0.754SS**  cis115.3125.8-5.6-61.5-175.2000117.1T295T295-I297 HydrophobicContact CG2-CD1 3.36Å; T295-I297 HydrophobicContact CG2-CG1 3.89Å
298I32.7Very low29.8Very low152 Ų152130.5 Ų130.578%0.77975%0.754SS**  trans68.9136.6164.5-76.7167.6000116.9
299K28.1Very low29.5Very low161 Ų161127.2 Ų127.270%0.775%0.751SS**  cis-155.8148.9-1.3-131-169.3-178.1-150.80114.3
300Q28.5Very low29.6Very low165 Ų165129.8 Ų129.877%0.77176%0.757SS**  trans37.6129.5141.5-76.5175.4-33.600124.5
301G26.6Very low29.6Very low81 Ų81125.1 Ų125.184%0.83576%0.755SS**  trans-178.1135.1152.900000111.7
302S31.4Very low29.5Very low112 Ų112125.7 Ų125.778%0.78377%0.765SS**  trans-152.8143.5-178-167.50000110.2
303P36.6Very low29.5Very low121 Ų121125.4 Ų125.479%0.78676%0.764SS**  -141.4145.491.419.83.2000117
304V26Very low29.3Very low115 Ų115128 Ų12870%0.69777%0.772SS**  32.4127.9113167.50000116.9
305Q26.5Very low28.7Very low169 Ų169131.1 Ų131.179%0.7978%0.777SS**  cis-170.5166.617.3-134.4-179.742.800115.5
306T24.3Very low28.5Very low106 Ų106136.6 Ų136.665%0.6579%0.786SS**  trans83.3147.7141.4-58.70000122.6
307T26.8Very low28.7Very low120 Ų120135.4 Ų135.474%0.73678%0.78SS**  trans83.683.9171.9-22.50000116.2
308V27.5Very low29.5Very low129 Ų129135 Ų13578%0.78279%0.785SS**  73114.478.9176.50000114
309A28Very low29.2Very low98 Ų98134.7 Ų134.781%0.8179%0.79SS**  trans-87.1155.9176.300000113.1
310T28.2Very low29.4Very low142 Ų142134 Ų13487%0.87179%0.793SS**  trans-119.8149170.145.40000111.7
311T27Very low29.4Very low133 Ų133135 Ų13582%0.81680%0.798SS**  trans-83.3126.6-174.248.20000112.3
312A26Very low29.5Very low106 Ų106137.4 Ų137.488%0.87679%0.792SS**  trans-88.3122.3168.200000111
313T29.8Very low29.2Very low124 Ų124138.5 Ų138.576%0.76179%0.794SS**  trans-105.5122.9174.150.50000111.3
314L28.5Very low28.9Very low178 Ų178139.7 Ų139.793%0.93279%0.792SS**  trans10.5111.3159.6-74.3160.6000118
315Q28.1Very low29.2Very low180 Ų180141.1 Ų141.184%0.84179%0.794SS**  trans-98.6148.2153-71.4-179.3-23.100110.4
316R27.7Very low29.3Very low222 Ų222141.2 Ų141.284%0.83880%0.799SS**  trans-140.8151.9142.7-98.7-139.3175.8-176.50.9110.5
317P34.1Very low29.5Very low110 Ų110140.1 Ų140.171%0.71481%0.809SS**  trans-128.1-145.5-148.446.3-26.6000110.6
318P47.1Very low29.5Very low110 Ų110137.7 Ų137.771%0.71481%0.808SS**  -122.2167.4-127.930.1-7000115.4
319V27.4Very low29.5Very low146 Ų146139.5 Ų139.589%0.88581%0.813SS**  trans-136.8143.8155.2-178.50000108.6
320L30.6Very low29.5Very low146 Ų146139.9 Ų139.976%0.76482%0.816SS**  trans-104.1152.3-178.7-60.4162000109.7
321Q28.8Very low29.5Very low187 Ų187139.8 Ų139.887%0.87482%0.816SS**  177.1159.5105.4-95.4-177.60.600115
322N28.6Very low29.5Very low132 Ų132138.6 Ų138.671%0.70681%0.813SS**  trans-45.3151-169.8-542.9000119.1I324N322-I324 HydrophobicContact CB-CG1 4.21Å
323T26.6Very low29.5Very low134 Ų134140.3 Ų140.382%0.82281%0.812SS**  trans-89.7136.7144.4-58.70000109
324I29.5Very low29.4Very low146 Ų146137.7 Ų137.775%0.74981%0.81SS**  trans-124.6143.1169.9-64.9177.2000108.2N322N322-I324 HydrophobicContact CB-CG1 4.21Å
325I31.3Very low29.5Very low145 Ų145139 Ų13974%0.74481%0.811SS**  trans-117.5119.5177.3-52.9173.8000108.7
326L30Very low29.5Very low172 Ų172135 Ų13590%0.90181%0.809SS**  trans-173.7157139.1-121.964.4000108.4
327G28Very low29.4Very low82 Ų82133.3 Ų133.385%0.84582%0.816SS**  trans-116.6173.1-172.800000114.6
328G27.9Very low29.1Very low70 Ų70131.4 Ų131.472%0.72282%0.816SS**  trans170.5106.3173.200000115.6
329N27.2Very low28.5Very low166 Ų166132.8 Ų132.889%0.88882%0.823SS**  trans44.5118.9147.2-57.819.1000121.8
330A27.2Very low28.8Very low107 Ų107131.7 Ų131.788%0.88482%0.819SS**  trans-151.9108.4144.100000113.1
331T27.6Very low28.6Very low140 Ų140130.4 Ų130.486%0.85982%0.817SS**  trans-46.8139.4173-510000117.8
332S27.8Very low28.4Very low107 Ų107128.1 Ų128.175%0.74882%0.816SS**  -168.9139.1129.948.80000113.7
333T26Very low28.2Very low142 Ų142127.7 Ų127.787%0.87182%0.818SS**  trans5.6136.8160.2500000120.8
334G26.7Very low28.2Very low69 Ų69130.1 Ų130.171%0.71182%0.82SS**  cis164.4-173.70.300000114
335Q30.8Very low28Very low205 Ų205127.3 Ų127.396%0.95882%0.819SS**  trans74.4125.8-175.1-54.7-163.616.200117
336A28.1Very low27.7Very low96 Ų96126.5 Ų126.579%0.79382%0.821SS**  trans-161135.7172.300000110.5
337L26.4Very low27.5Very low187 Ų187122.7 Ų122.798%0.97981%0.814SS**  trans-171.1142.5162.3-137.766.6000107.7
338G27.2Very low27.5Very low70 Ų70123.5 Ų123.572%0.72281%0.813SS**  cis-169.7170.9-8.300000109.7
339T34Very low27.4Very low140 Ų140127 Ų12786%0.85982%0.819SS**  trans-100161.917054.90000110.1
340P35.2Very low27.4Very low122 Ų122124.1 Ų124.179%0.79281%0.808SS**  -146.2163.395.438.3-22.3000117
341T26.4Very low27.6Very low119 Ų119126.1 Ų126.173%0.7380%0.799SS**  trans-20.8146154.1-32.20000117.8
342T24Very low27.9Very low139 Ų139129.6 Ų129.685%0.85380%0.797SS**  -160.5139.2123.5-770000113.1
343V24.5Very low27.8Very low123 Ų123131.2 Ų131.275%0.74580%0.802SS**  trans-49.9145174.4177.80000115.2
344Q26.5Very low27.8Very low186 Ų186127.2 Ų127.287%0.86979%0.789SS**  -172.8154.7113.8-163.5152.5-0.300112.8
345A24.4Very low28.9Very low87 Ų87130 Ų13072%0.71979%0.794SS**  trans-144152.7-178.500000112.6
346T25.5Very low28.9Very low128 Ų128128.2 Ų128.279%0.78579%0.791SS**  trans-144109.2161.647.60000106.7
347A27Very low28.8Very low92 Ų92126.5 Ų126.576%0.7678%0.782SS**  57.6102.68400000111.3
348A27Very low29Very low99 Ų99123.6 Ų123.682%0.81877%0.773SS**  cis83.6118.528.300000115.8
349V25.9Very low29.2Very low142 Ų142127.3 Ų127.386%0.86178%0.781SS**  trans177.6139.7169.9137.10000105.5
350T26.8Very low29.1Very low107 Ų107124.1 Ų124.166%0.65678%0.777SS**  cis-160.7124.1-14.3-81.70000105.5
351Q31.9Very low29Very low149 Ų149124.2 Ų124.270%0.69678%0.775SS**  54.9138.898-112.5-170.57600114.6
352R33.2Very low29.2Very low212 Ų212124.5 Ų124.580%0.878%0.778SS**  cis-139-17517.1-68-174.9161.7-168.4-5109.7
353V26.4Very low30Very low141 Ų141123.8 Ų123.886%0.85577%0.773SS**  cis-148.215425.8177.30000110.7
354G26.1Very low30.3Very low59 Ų59123.4 Ų123.461%0.60877%0.772SS**  trans-145.2-148.5166.800000109
355P48.9Very low31Very low127 Ų127120.7 Ų120.783%0.82577%0.77SS**  cis-96.5-151-7.235.7-22.6000110
356L31.4Very low32.1Very low167 Ų167122.4 Ų122.487%0.87477%0.772SS**  cis-157.8163.95.5-173.357.3000109.4
357G26.6Very low33.1Very low60 Ų60120.5 Ų120.562%0.61977%0.769SS**  trans154.857.5163.500000118.8
358T30.5Very low34.8Very low127 Ų127121.1 Ų121.178%0.77976%0.759SS**  trans41.8105.8158.355.10000120.8
359T31.6Very low37.1Very low147 Ų147120.1 Ų120.190%0.90274%0.742SS**  55.8103129.3-41.20000119.8
360G30.4Very low39.5Very low74 Ų74117.4 Ų117.476%0.76374%0.735SS**  trans-136.7137.2163.200000112.3
361V34.1Very low42.1Very low124 Ų124118.1 Ų118.175%0.75273%0.731SS**  trans-79.3138.9174.6176.40000109.4V363V361-V363 PolarHBondContact O-N 2.94Å
362P30.2Very low44.6Very low124 Ų124112.5 Ų112.581%0.80571%0.707SS**  trans-70.493.717628.8-35.1000111.2
363V40.5Very low47.2Very low124 Ų124105.4 Ų105.475%0.75268%0.684SS**PPolyproline II helixtrans-83.1117173.4-179.70000109.5V361V361-V363 PolarHBondContact O-N 2.94Å
364T31.9Very low50.2Low115 Ų115103.6 Ų103.671%0.70667%0.667SS**PPolyproline II helixtrans-64.5131.5172.436.10000111.3T366T364-T366 PolarHBondContact O-N 2.87Å
365P41.4Very low53.4Low129 Ų129101.5 Ų101.584%0.83864%0.641SS**PPolyproline II helixtrans-65.4119.5179.426.5-33.7000110.5
366T46.9Very low55.5Low124 Ų12495.7 Ų95.776%0.76160%0.604SS**PPolyproline II helixtrans-80.7128.4178.9-60.10000110.2T364 I368T364-T366 PolarHBondContact O-N 2.87Å; T366-I368 PolarHBondContact O-N 3.32Å
367A46.2Very low58.5Low88 Ų8894.4 Ų94.473%0.72759%0.591SS**PPolyproline II helixtrans-60.2122.817900000111.7T369A367-T369 PolarHBondContact O-N 2.99Å
368I63.3Low61.7Low105 Ų10595.7 Ų95.754%0.53858%0.58SS.*  trans-77.8111.2-178.3-56.7176.8000109.2T366 T372 L373T366-I368 PolarHBondContact O-N 3.32Å; I368-T372 HydrophobicContact CG2-CG2 4.18Å; I368-L373 HydrophobicContact CG2-CB 4.49Å
369T74.8Confident64.8Low77 Ų7789.7 Ų89.747%0.47254%0.543SS..  trans-75.1157175.173.60000111.6A367 E371 T372 L373A367-T369 PolarHBondContact O-N 2.99Å; T369-E371 PolarHBondContact O-N 2.91Å; T369-T372 WeakPolarHBondContact O-CB 3.32Å; T369-T372 PolarHBondContact O-N 3.4Å; T369-T372 PolarHBondContact OG1-N 3.09Å; T369-T372 PolarHBondContact OG1-OG1 3.05Å; T369-T372 VanDerWaalsContact OG1-OG1 3.11Å; T369-L373 PolarHBondContact O-N 2.97Å
370A77.1Confident67.7Low86 Ų8683.2 Ų83.271%0.71151%0.505SS*.Hα-helixtrans-58.7-35.2176.200000112.8L373 E374A370-L373 PolarHBondContact O-N 3.39Å; A370-E374 PolarHBondContact O-N 2.71Å
371E80.5Confident70.8Confident121 Ų12184.9 Ų84.957%0.56550%0.497SS*.Hα-helixtrans-63.3-43.7172-71-163.3-171.700112.2T369 L373 E374 N375 R442T369-E371 PolarHBondContact O-N 2.91Å; E371-L373 VanDerWaalsContact C-N 3.29Å; E371-L373 PolarHBondContact O-N 3.13Å; E371-E374 PolarHBondContact O-N 3.46Å; E371-N375 WeakPolarHBondContact O-CB 3.13Å; E371-N375 PolarHBondContact O-N 3.12Å; E371-N375 PolarHBondContact O-ND2 2.82Å; E371-R442 IonicContact OE2-NH1 3.65Å; E371-R442 PolarHBondContact OE2-NH1 2.92Å
372T83.8Confident73.8Confident32 Ų3281.2 Ų81.220%0.19647%0.471CS..Hα-helixtrans-59.2-43.9177-61.80000110.3I368 T369 E374 N375 V376 A446I368-T372 HydrophobicContact CG2-CG2 4.18Å; T369-T372 WeakPolarHBondContact O-CB 3.32Å; T369-T372 PolarHBondContact O-N 3.4Å; T369-T372 PolarHBondContact OG1-N 3.09Å; T369-T372 PolarHBondContact OG1-OG1 3.05Å; T369-T372 VanDerWaalsContact OG1-OG1 3.11Å; T372-E374 PolarHBondContact O-N 2.97Å; T372-N375 PolarHBondContact O-N 3.08Å; T372-V376 HydrophobicContact CG2-CG2 4.37Å; T372-V376 VanDerWaalsContact O-CG2 3.27Å; T372-V376 WeakPolarHBondContact O-CG2 3.3Å; T372-V376 PolarHBondContact O-N 3.4Å; T372-A446 HydrophobicContact CG2-CB 3.81Å
373L87.9Confident76.9Confident62 Ų6275.3 Ų75.333%0.32543%0.432SS..Hα-helixtrans-64.2-36.9177.4-173.562.6000113.1I368 T369 A370 E371 K377 M450I368-L373 HydrophobicContact CG2-CB 4.49Å; T369-L373 PolarHBondContact O-N 2.97Å; A370-L373 PolarHBondContact O-N 3.39Å; E371-L373 VanDerWaalsContact C-N 3.29Å; E371-L373 PolarHBondContact O-N 3.13Å; L373-K377 WeakPolarHBondContact O-CG 3.44Å; L373-K377 PolarHBondContact O-N 3.21Å; L373-K377 VanDerWaalsContact O-N 3.07Å; L373-M450 HydrophobicContact CD1-CE 4.07Å; L373-M450 HydrophobicContact CD1-SD 4Å
374E90.8Very high79.4Confident104 Ų10470.5 Ų70.549%0.48640%0.404SS..Hα-helixtrans-68.1-39.3174.3-153.9-148.7167.700111.7A370 E371 T372 K377 K378A370-E374 PolarHBondContact O-N 2.71Å; E371-E374 PolarHBondContact O-N 3.46Å; T372-E374 PolarHBondContact O-N 2.97Å; E374-K377 PolarHBondContact O-N 2.82Å; E374-K378 VanDerWaalsContact O-CG 3.31Å; E374-K378 WeakPolarHBondContact O-CG 3.28Å; E374-K378 PolarHBondContact O-N 3.44Å; E374-K378 WeakPolarHBondContact OE1-CE 3.39Å; E374-K378 IonicContact OE1-NZ 2.62Å; E374-K378 PolarHBondContact OE1-NZ 2.9Å; E374-K378 IonicContact OE2-NZ 3.39Å; E374-K378 PolarHBondContact OE2-NZ 2.69Å
375N91.4Very high82.4Confident14 Ų1467.7 Ų67.78%0.07539%0.387CS..Hα-helixtrans-67.7-39.8176.1-70.4-50.1000112.1E371 T372 K378 C379 F439E371-N375 WeakPolarHBondContact O-CB 3.13Å; E371-N375 PolarHBondContact O-N 3.12Å; E371-N375 PolarHBondContact O-ND2 2.82Å; T372-N375 PolarHBondContact O-N 3.08Å; N375-K378 PolarHBondContact O-N 3.26Å; N375-C379 VanDerWaalsContact O-CB 3.3Å; N375-C379 WeakPolarHBondContact O-CB 3.27Å; N375-C379 PolarHBondContact O-N 2.84Å; N375-F439 HydrophobicContact CB-CE2 4.27Å
376V94.6Very high84.9Confident6 Ų662.4 Ų62.44%0.03635%0.352CS..Hα-helixtrans-58.7-47171.4169.10000111.1T372 K378 C379 G380 A446 L447 M450T372-V376 HydrophobicContact CG2-CG2 4.37Å; T372-V376 VanDerWaalsContact O-CG2 3.27Å; T372-V376 WeakPolarHBondContact O-CG2 3.3Å; T372-V376 PolarHBondContact O-N 3.4Å; V376-K378 PolarHBondContact O-N 3.14Å; V376-C379 PolarHBondContact O-N 3.22Å; V376-C379 VanDerWaalsContact O-N 3.13Å; V376-G380 PolarHBondContact O-N 3.4Å; V376-A446 HydrophobicContact CG2-CB 3.49Å; V376-A446 VanDerWaalsContact CG2-CB 3.49Å; V376-L447 HydrophobicContact CG1-CB 4.1Å; V376-L447 HydrophobicContact CG1-CD1 3.84Å; V376-M450 HydrophobicContact CG1-SD 3.82Å
377K93.8Very high87.1Confident139 Ų13956.5 Ų56.560%0.60432%0.316SS*.Hα-helixtrans-60.9-41.5176.4-74.2173.7-179.81800112.3L373 E374 N381L373-K377 WeakPolarHBondContact O-CG 3.44Å; L373-K377 PolarHBondContact O-N 3.21Å; L373-K377 VanDerWaalsContact O-N 3.07Å; E374-K377 PolarHBondContact O-N 2.82Å; K377-N381 VanDerWaalsContact O-CB 3.31Å; K377-N381 WeakPolarHBondContact O-CB 3.32Å; K377-N381 PolarHBondContact O-N 3.32Å
378K93.6Very high89.3Confident88 Ų8856.4 Ų56.438%0.38330%0.299SS..Hα-helixtrans-63.8-39.6173.1-70.6163.7-175.2165.40112E374 N375 V376 N381 F382 F439E374-K378 VanDerWaalsContact O-CG 3.31Å; E374-K378 WeakPolarHBondContact O-CG 3.28Å; E374-K378 PolarHBondContact O-N 3.44Å; E374-K378 WeakPolarHBondContact OE1-CE 3.39Å; E374-K378 IonicContact OE1-NZ 2.62Å; E374-K378 PolarHBondContact OE1-NZ 2.9Å; E374-K378 IonicContact OE2-NZ 3.39Å; E374-K378 PolarHBondContact OE2-NZ 2.69Å; N375-K378 PolarHBondContact O-N 3.26Å; V376-K378 PolarHBondContact O-N 3.14Å; K378-N381 PolarHBondContact O-N 3.09Å; K378-F382 VanDerWaalsContact O-CB 3.31Å; K378-F382 WeakPolarHBondContact O-CB 3.39Å; K378-F382 PolarHBondContact O-N 2.76Å; K378-F439 HydrophobicContact CB-CE2 4.04Å; K378-F439 HydrophobicContact CB-CZ 3.69Å
379C95.3Very high90.6Very high0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-70.3-44.5-178.1-1710000111.4N375 V376 F382 L383 F439 S443 L447N375-C379 VanDerWaalsContact O-CB 3.3Å; N375-C379 WeakPolarHBondContact O-CB 3.27Å; N375-C379 PolarHBondContact O-N 2.84Å; V376-C379 PolarHBondContact O-N 3.22Å; V376-C379 VanDerWaalsContact O-N 3.13Å; C379-F382 PolarHBondContact O-N 3.26Å; C379-L383 WeakPolarHBondContact O-CG 3.29Å; C379-L383 PolarHBondContact O-N 3.03Å; C379-F439 HydrophobicContact CB-CE1 4.11Å; C379-F439 HydrophobicContact CB-CZ 3.87Å; C379-S443 VanDerWaalsContact CB-CB 3.49Å; C379-L447 HydrophobicContact CB-CD2 4.06Å
380G94.2Very high91.1Very high11 Ų1153 Ų5311%0.11328%0.279CS..Hα-helixtrans-58.7-48.6170.700000111.6V376 F382 L383 S384V376-G380 PolarHBondContact O-N 3.4Å; G380-F382 VanDerWaalsContact C-N 3.33Å; G380-F382 PolarHBondContact O-N 2.97Å; G380-L383 PolarHBondContact O-N 2.84Å; G380-S384 PolarHBondContact O-N 3.19Å; G380-S384 PolarHBondContact O-OG 2.93Å
381N95.3Very high91.6Very high110 Ų11050.9 Ų50.959%0.58826%0.258SS*.Hα-helixtrans-59.5-40.5177.2-173-84.3000112.9K377 K378 T385K377-N381 VanDerWaalsContact O-CB 3.31Å; K377-N381 WeakPolarHBondContact O-CB 3.32Å; K377-N381 PolarHBondContact O-N 3.32Å; K378-N381 PolarHBondContact O-N 3.09Å; N381-T385 VanDerWaalsContact O-CB 3.25Å; N381-T385 WeakPolarHBondContact O-CB 3.2Å; N381-T385 PolarHBondContact O-N 2.75Å; N381-T385 PolarHBondContact O-OG1 3.31Å
382F95.9Very high91.7Very high46 Ų4649.4 Ų49.420%0.20225%0.254CS..Hα-helixtrans-60.2-50.8173.8167.5-103.4000112K378 C379 G380 T385 L386 F420 L424 L436 L440K378-F382 VanDerWaalsContact O-CB 3.31Å; K378-F382 WeakPolarHBondContact O-CB 3.39Å; K378-F382 PolarHBondContact O-N 2.76Å; C379-F382 PolarHBondContact O-N 3.26Å; G380-F382 VanDerWaalsContact C-N 3.33Å; G380-F382 PolarHBondContact O-N 2.97Å; F382-T385 PolarHBondContact O-N 3.3Å; F382-T385 VanDerWaalsContact O-N 3.15Å; F382-L386 HydrophobicContact CD1-CD1 4.34Å; F382-L386 HydrophobicContact CE1-CD1 3.67Å; F382-L386 HydrophobicContact CE1-CG 4.44Å; F382-L386 HydrophobicContact CE2-CD1 4.17Å; F382-L386 HydrophobicContact CE2-CD2 4.34Å; F382-L386 HydrophobicContact CE2-CG 4.21Å; F382-L386 HydrophobicContact CZ-CD1 3.58Å; F382-L386 HydrophobicContact CZ-CD2 4.43Å; F382-L386 HydrophobicContact CZ-CG 4.12Å; F382-L386 PolarHBondContact O-N 3.24Å; F382-F420 HydrophobicContact CE1-CE1 4.34Å; F382-L424 HydrophobicContact CZ-CD2 4.47Å; F382-L436 HydrophobicContact CE1-CD1 3.95Å; F382-L436 HydrophobicContact CE2-CD1 4.13Å; F382-L436 HydrophobicContact CZ-CD1 3.67Å; F382-L436 HydrophobicContact CZ-CD2 3.92Å; F382-L436 HydrophobicContact CZ-CG 4.43Å; F382-L440 HydrophobicContact CD1-CD2 4.36Å; F382-L440 HydrophobicContact CE1-CD2 4.24Å
383L95.4Very high91Very high0 Ų051.8 Ų51.80%029%0.285CS..Hα-helixtrans-64.5-43.4179.7-63.8176.2000111.8C379 G380 T385 L386 I387 V407 L410 L411 F420 L447 F457C379-L383 WeakPolarHBondContact O-CG 3.29Å; C379-L383 PolarHBondContact O-N 3.03Å; G380-L383 PolarHBondContact O-N 2.84Å; L383-T385 VanDerWaalsContact C-N 3.27Å; L383-T385 PolarHBondContact O-N 3.35Å; L383-L386 HydrophobicContact CD2-CD1 4.42Å; L383-L386 PolarHBondContact O-N 3.49Å; L383-I387 WeakPolarHBondContact O-CD1 3.31Å; L383-I387 WeakPolarHBondContact O-CG1 3.39Å; L383-I387 PolarHBondContact O-N 3.16Å; L383-V407 HydrophobicContact CB-CG1 4.03Å; L383-V407 HydrophobicContact CD1-CG1 4.32Å; L383-V407 HydrophobicContact CD2-CG1 4.19Å; L383-V407 HydrophobicContact CD2-CG2 4.11Å; L383-V407 HydrophobicContact CG-CG1 4.4Å; L383-L410 HydrophobicContact CD2-CD2 4.04Å; L383-L411 HydrophobicContact CD1-CD2 3.95Å; L383-L411 HydrophobicContact CD1-CG 4.31Å; L383-F420 HydrophobicContact CD2-CE1 4.49Å; L383-F420 HydrophobicContact CD2-CZ 3.99Å; L383-L447 HydrophobicContact CD1-CD2 3.86Å; L383-F457 HydrophobicContact CB-CE1 3.87Å; L383-F457 HydrophobicContact CB-CZ 4.05Å
384S94.1Very high90.4Very high23 Ų2357.4 Ų57.416%0.16131%0.307CS..Hα-helixtrans-61.1-36.1172.4-630000112.4G380 I387 K388 F457 S461G380-S384 PolarHBondContact O-N 3.19Å; G380-S384 PolarHBondContact O-OG 2.93Å; S384-I387 PolarHBondContact O-N 3.08Å; S384-K388 WeakPolarHBondContact O-CB 3.35Å; S384-K388 VanDerWaalsContact O-CG 3.26Å; S384-K388 WeakPolarHBondContact O-CG 3.15Å; S384-K388 PolarHBondContact O-N 2.97Å; S384-F457 VanDerWaalsContact OG-CZ 3.28Å; S384-F457 WeakPolarHBondContact OG-CZ 2.99Å; S384-S461 WeakPolarHBondContact CA-OG 3.5Å; S384-S461 WeakPolarHBondContact CB-OG 3.21Å; S384-S461 PolarHBondContact OG-OG 2.98Å
385T94.6Very high90.1Very high57 Ų5756.7 Ų56.735%0.3530%0.304SS..Hα-helixtrans-70.2-39.3177.1-60.70000111.5N381 F382 L383 K388 L389N381-T385 VanDerWaalsContact O-CB 3.25Å; N381-T385 WeakPolarHBondContact O-CB 3.2Å; N381-T385 PolarHBondContact O-N 2.75Å; N381-T385 PolarHBondContact O-OG1 3.31Å; F382-T385 PolarHBondContact O-N 3.3Å; F382-T385 VanDerWaalsContact O-N 3.15Å; L383-T385 VanDerWaalsContact C-N 3.27Å; L383-T385 PolarHBondContact O-N 3.35Å; T385-K388 PolarHBondContact O-N 3.18Å; T385-L389 HydrophobicContact CG2-CD1 3.87Å; T385-L389 HydrophobicContact CG2-CG 4.21Å; T385-L389 WeakPolarHBondContact O-CB 3.39Å; T385-L389 VanDerWaalsContact O-CG 3.27Å; T385-L389 WeakPolarHBondContact O-CG 3.39Å; T385-L389 PolarHBondContact O-N 3.31Å
386L93.7Very high89.8Confident18 Ų1858.8 Ų58.89%0.09432%0.319CS..Hα-helixtrans-59-47.9171.2-71.5179000111.6F382 L383 K388 L389 A390 V403 F420 L424 L428F382-L386 HydrophobicContact CD1-CD1 4.34Å; F382-L386 HydrophobicContact CE1-CD1 3.67Å; F382-L386 HydrophobicContact CE1-CG 4.44Å; F382-L386 HydrophobicContact CE2-CD1 4.17Å; F382-L386 HydrophobicContact CE2-CD2 4.34Å; F382-L386 HydrophobicContact CE2-CG 4.21Å; F382-L386 HydrophobicContact CZ-CD1 3.58Å; F382-L386 HydrophobicContact CZ-CD2 4.43Å; F382-L386 HydrophobicContact CZ-CG 4.12Å; F382-L386 PolarHBondContact O-N 3.24Å; L383-L386 HydrophobicContact CD2-CD1 4.42Å; L383-L386 PolarHBondContact O-N 3.49Å; L386-K388 VanDerWaalsContact C-N 3.32Å; L386-K388 PolarHBondContact O-N 3.01Å; L386-L389 PolarHBondContact O-N 3.36Å; L386-A390 VanDerWaalsContact O-CB 3.31Å; L386-A390 WeakPolarHBondContact O-CB 3.41Å; L386-A390 PolarHBondContact O-N 3Å; L386-V403 HydrophobicContact CB-CG1 4.42Å; L386-F420 HydrophobicContact CD1-CZ 3.92Å; L386-L424 HydrophobicContact CD1-CD1 4.21Å; L386-L424 HydrophobicContact CD1-CD2 3.69Å; L386-L424 HydrophobicContact CD2-CD1 4.49Å; L386-L424 HydrophobicContact CD2-CD2 4.24Å; L386-L428 HydrophobicContact CD2-CD1 4.27Å
387I92.8Very high89.4Confident0 Ų063.6 Ų63.60%035%0.353CS..Hα-helixtrans-60.3-42.5178.4-65.8158000111.1L383 S384 S391 V407 F457 I458 L462L383-I387 WeakPolarHBondContact O-CD1 3.31Å; L383-I387 WeakPolarHBondContact O-CG1 3.39Å; L383-I387 PolarHBondContact O-N 3.16Å; S384-I387 PolarHBondContact O-N 3.08Å; I387-S391 WeakPolarHBondContact O-CB 3.49Å; I387-S391 PolarHBondContact O-N 3.47Å; I387-S391 PolarHBondContact O-OG 3.13Å; I387-V407 HydrophobicContact CD1-CB 4.48Å; I387-V407 HydrophobicContact CD1-CG1 3.95Å; I387-V407 HydrophobicContact CG1-CG1 4.48Å; I387-V407 HydrophobicContact CG1-CG2 4.36Å; I387-F457 HydrophobicContact CD1-CD1 4.35Å; I387-F457 HydrophobicContact CD1-CE1 4.07Å; I387-I458 HydrophobicContact CD1-CB 4.39Å; I387-I458 HydrophobicContact CD1-CG1 3.86Å; I387-I458 HydrophobicContact CG2-CG2 4.47Å; I387-L462 HydrophobicContact CG2-CD2 3.69Å; I387-L462 HydrophobicContact CG2-CG 3.98Å
388K92.4Very high89.1Confident86 Ų8664.1 Ų64.137%0.37436%0.358SS..Hα-helixtrans-67.3-39.4177.1-74.5175.8-178.8-176.30113.1S384 T385 L386 N392 S461S384-K388 WeakPolarHBondContact O-CB 3.35Å; S384-K388 VanDerWaalsContact O-CG 3.26Å; S384-K388 WeakPolarHBondContact O-CG 3.15Å; S384-K388 PolarHBondContact O-N 2.97Å; T385-K388 PolarHBondContact O-N 3.18Å; L386-K388 VanDerWaalsContact C-N 3.32Å; L386-K388 PolarHBondContact O-N 3.01Å; K388-N392 WeakPolarHBondContact O-CB 3.21Å; K388-N392 PolarHBondContact O-N 3.47Å; K388-N392 VanDerWaalsContact O-N 3.12Å; K388-S461 WeakPolarHBondContact CE-O 3.3Å; K388-S461 WeakPolarHBondContact CG-O 3.38Å
389L89.7Confident88.9Confident109 Ų10961 Ų6157%0.57135%0.346SS*.Hα-helixtrans-71.9-41.1178.1-72.6173.8000111.9T385 L386 N392T385-L389 HydrophobicContact CG2-CD1 3.87Å; T385-L389 HydrophobicContact CG2-CG 4.21Å; T385-L389 WeakPolarHBondContact O-CB 3.39Å; T385-L389 VanDerWaalsContact O-CG 3.27Å; T385-L389 WeakPolarHBondContact O-CG 3.39Å; T385-L389 PolarHBondContact O-N 3.31Å; L386-L389 PolarHBondContact O-N 3.36Å; L389-N392 WeakPolarHBondContact O-CB 3.42Å; L389-N392 PolarHBondContact O-N 3.48Å
390A87Confident88.7Confident2 Ų261.9 Ų61.92%0.01735%0.351CS..Hα-helixtrans-65.3-43.7174.300000111.5L386 N392 Q395 T400 V403L386-A390 VanDerWaalsContact O-CB 3.31Å; L386-A390 WeakPolarHBondContact O-CB 3.41Å; L386-A390 PolarHBondContact O-N 3Å; A390-N392 PolarHBondContact O-N 2.85Å; A390-Q395 WeakPolarHBondContact O-CB 3.38Å; A390-T400 PolarHBondContact O-OG1 3.38Å; A390-V403 HydrophobicContact CB-CB 3.85Å; A390-V403 HydrophobicContact CB-CG1 3.78Å; A390-V403 HydrophobicContact CB-CG2 4.14Å
391S86.3Confident88.5Confident41 Ų4164.1 Ų64.129%0.28737%0.368SS..THydrogen-bonded Turntrans-81.63.5-179.8-47.20000114.1I387 T400 K404 L462I387-S391 WeakPolarHBondContact O-CB 3.49Å; I387-S391 PolarHBondContact O-N 3.47Å; I387-S391 PolarHBondContact O-OG 3.13Å; S391-T400 WeakPolarHBondContact OG-CG2 3.24Å; S391-K404 WeakPolarHBondContact OG-CE 3.48Å; S391-K404 PolarHBondContact OG-NZ 2.64Å; S391-L462 WeakPolarHBondContact OG-CD2 3.37Å
392N82.4Confident88.5Confident90 Ų9060.9 Ų60.948%0.48135%0.353SS..SBendtrans-75.5133.9168.3-166.83000108K388 L389 A390 K394 Q395K388-N392 WeakPolarHBondContact O-CB 3.21Å; K388-N392 PolarHBondContact O-N 3.47Å; K388-N392 VanDerWaalsContact O-N 3.12Å; L389-N392 WeakPolarHBondContact O-CB 3.42Å; L389-N392 PolarHBondContact O-N 3.48Å; A390-N392 PolarHBondContact O-N 2.85Å; N392-K394 PolarHBondContact O-N 3.03Å; N392-Q395 PolarHBondContact O-N 2.96Å
393G70.3Confident88.4Confident81 Ų8158.7 Ų58.784%0.83534%0.343SS*.THydrogen-bonded Turntrans-66.425-167.400000117.5
394K75.4Confident88.3Confident180 Ų18061.3 Ų61.378%0.78336%0.355SS*.THydrogen-bonded Turntrans-107.13.3172.4-59.5-172.6177.7-172.70112.9N392N392-K394 PolarHBondContact O-N 3.03Å
395Q83.4Confident88.3Confident90 Ų9065.8 Ų65.842%0.42137%0.373SS..SBendtrans-115.4161.7174.3-57.8-69.4-102.900109.8A390 N392A390-Q395 WeakPolarHBondContact O-CB 3.38Å; N392-Q395 PolarHBondContact O-N 2.96Å
396S86.3Confident88.3Confident57 Ų5763.6 Ų63.640%0.39936%0.359SS..  trans-71154.1176.368.50000110.9E398 T399 T400S396-E398 PolarHBondContact O-N 3.33Å; S396-T399 PolarHBondContact O-N 2.94Å; S396-T399 VanDerWaalsContact OG-CB 3.25Å; S396-T399 WeakPolarHBondContact OG-CB 3.43Å; S396-T399 PolarHBondContact OG-N 3.3Å; S396-T399 PolarHBondContact OG-OG1 3.48Å; S396-T399 VanDerWaalsContact OG-OG1 3.12Å; S396-T400 WeakPolarHBondContact O-CB 3.25Å; S396-T400 PolarHBondContact O-N 2.94Å; S396-T400 PolarHBondContact O-OG1 3.28Å
397S85.9Confident88.4Confident107 Ų10762.8 Ų62.875%0.74836%0.355SS*.Hα-helixtrans-60.1-36.5173.5-165.70000111.4T400 A401S397-T400 WeakPolarHBondContact O-CB 3.41Å; S397-T400 PolarHBondContact O-N 3.24Å; S397-A401 PolarHBondContact O-N 2.84Å
398E87.9Confident88.5Confident151 Ų15165.5 Ų65.571%0.70637%0.367SS*.Hα-helixtrans-60.8-57175.4-173.5174.9-17000111.8S396 T400 A401 T402S396-E398 PolarHBondContact O-N 3.33Å; E398-T400 PolarHBondContact O-N 2.98Å; E398-A401 WeakPolarHBondContact O-CA 3.26Å; E398-A401 WeakPolarHBondContact O-CB 3.44Å; E398-A401 PolarHBondContact O-N 2.26Å; E398-T402 PolarHBondContact O-N 2.47Å; E398-T402 PolarHBondContact O-OG1 2.77Å; E398-T402 VanDerWaalsContact O-OG1 3.11Å
399T88.3Confident88.6Confident22 Ų2262.9 Ų62.914%0.13536%0.357CS..Hα-helixtrans-59.7-33.3175.6-67.80000112.2S396 V403 E427 L428S396-T399 PolarHBondContact O-N 2.94Å; S396-T399 VanDerWaalsContact OG-CB 3.25Å; S396-T399 WeakPolarHBondContact OG-CB 3.43Å; S396-T399 PolarHBondContact OG-N 3.3Å; S396-T399 PolarHBondContact OG-OG1 3.48Å; S396-T399 VanDerWaalsContact OG-OG1 3.12Å; T399-V403 HydrophobicContact CG2-CG2 4.35Å; T399-V403 WeakPolarHBondContact O-CB 3.35Å; T399-V403 VanDerWaalsContact O-CG2 3.3Å; T399-V403 WeakPolarHBondContact O-CG2 3.4Å; T399-V403 PolarHBondContact O-N 3.42Å; T399-E427 VanDerWaalsContact CA-OE1 3.22Å; T399-E427 WeakPolarHBondContact CA-OE1 3.15Å; T399-E427 VanDerWaalsContact CB-OE1 3.25Å; T399-E427 WeakPolarHBondContact CB-OE1 3.43Å; T399-E427 HydrophobicContact CG2-CG 4.08Å; T399-E427 WeakPolarHBondContact CG2-OE1 3.4Å; T399-E427 PolarHBondContact OG1-OE1 3.46Å; T399-L428 HydrophobicContact CG2-CD2 3.9Å
400T90.7Very high88.9Confident19 Ų1957.7 Ų57.712%0.11733%0.329CS..Hα-helixtrans-63.4-40.5173.1-55.70000112.1A390 S391 S396 S397 E398 K404A390-T400 PolarHBondContact O-OG1 3.38Å; S391-T400 WeakPolarHBondContact OG-CG2 3.24Å; S396-T400 WeakPolarHBondContact O-CB 3.25Å; S396-T400 PolarHBondContact O-N 2.94Å; S396-T400 PolarHBondContact O-OG1 3.28Å; S397-T400 WeakPolarHBondContact O-CB 3.41Å; S397-T400 PolarHBondContact O-N 3.24Å; E398-T400 PolarHBondContact O-N 2.98Å; T400-K404 HydrophobicContact CG2-CD 4.43Å; T400-K404 WeakPolarHBondContact O-CD 3.36Å; T400-K404 VanDerWaalsContact O-CG 3.28Å; T400-K404 WeakPolarHBondContact O-CG 3.37Å; T400-K404 PolarHBondContact O-N 3.37Å
401A91.6Very high89.2Confident57 Ų5758.1 Ų58.147%0.47133%0.331SS..Hα-helixtrans-69.6-48.8175.300000111.1S397 E398 V403 K404 E405S397-A401 PolarHBondContact O-N 2.84Å; E398-A401 WeakPolarHBondContact O-CA 3.26Å; E398-A401 WeakPolarHBondContact O-CB 3.44Å; E398-A401 PolarHBondContact O-N 2.26Å; A401-V403 VanDerWaalsContact C-N 3.35Å; A401-V403 PolarHBondContact O-N 2.93Å; A401-K404 WeakPolarHBondContact O-CB 3.34Å; A401-K404 PolarHBondContact O-N 2.89Å; A401-K404 VanDerWaalsContact O-N 3.09Å; A401-E405 PolarHBondContact O-N 3.46Å
402T93.7Very high89.5Confident43 Ų4359.8 Ų59.826%0.26434%0.335SS..Hα-helixtrans-56.9-45178.8-51.10000111.9E398 K404 E405 L406 E427E398-T402 PolarHBondContact O-N 2.47Å; E398-T402 PolarHBondContact O-OG1 2.77Å; E398-T402 VanDerWaalsContact O-OG1 3.11Å; T402-K404 PolarHBondContact O-N 2.96Å; T402-E405 PolarHBondContact O-N 2.93Å; T402-L406 HydrophobicContact CG2-CD1 4.08Å; T402-L406 HydrophobicContact CG2-CG 4.37Å; T402-L406 WeakPolarHBondContact O-CB 3.42Å; T402-L406 VanDerWaalsContact O-CG 3.22Å; T402-L406 WeakPolarHBondContact O-CG 3.4Å; T402-L406 PolarHBondContact O-N 3.06Å; T402-E427 HydrophobicContact CG2-CG 3.93Å
403V94.5Very high89.8Confident0 Ų057.2 Ų57.20%033%0.33CS..Hα-helixtrans-65.2-37.3177.6172.40000112L386 A390 T399 A401 V407 L424 E427 L428L386-V403 HydrophobicContact CB-CG1 4.42Å; A390-V403 HydrophobicContact CB-CB 3.85Å; A390-V403 HydrophobicContact CB-CG1 3.78Å; A390-V403 HydrophobicContact CB-CG2 4.14Å; T399-V403 HydrophobicContact CG2-CG2 4.35Å; T399-V403 WeakPolarHBondContact O-CB 3.35Å; T399-V403 VanDerWaalsContact O-CG2 3.3Å; T399-V403 WeakPolarHBondContact O-CG2 3.4Å; T399-V403 PolarHBondContact O-N 3.42Å; A401-V403 VanDerWaalsContact C-N 3.35Å; A401-V403 PolarHBondContact O-N 2.93Å; V403-V407 WeakPolarHBondContact O-CG2 3.35Å; V403-V407 PolarHBondContact O-N 3.33Å; V403-L424 HydrophobicContact CG2-CD1 4.38Å; V403-E427 HydrophobicContact CG2-CG 4.15Å; V403-L428 HydrophobicContact CG2-CD1 4.5Å; V403-L428 HydrophobicContact CG2-CD2 3.97Å; V403-L428 HydrophobicContact CG2-CG 4.26Å
404K92.9Very high90.7Very high55 Ų5559.7 Ų59.724%0.23932%0.318CS..Hα-helixtrans-65.3-43.7174.3-72.5169.4-174.6174.70111.4S391 T400 A401 T402 V407 K408 I458S391-K404 WeakPolarHBondContact OG-CE 3.48Å; S391-K404 PolarHBondContact OG-NZ 2.64Å; T400-K404 HydrophobicContact CG2-CD 4.43Å; T400-K404 WeakPolarHBondContact O-CD 3.36Å; T400-K404 VanDerWaalsContact O-CG 3.28Å; T400-K404 WeakPolarHBondContact O-CG 3.37Å; T400-K404 PolarHBondContact O-N 3.37Å; A401-K404 WeakPolarHBondContact O-CB 3.34Å; A401-K404 PolarHBondContact O-N 2.89Å; A401-K404 VanDerWaalsContact O-N 3.09Å; T402-K404 PolarHBondContact O-N 2.96Å; K404-V407 PolarHBondContact O-N 3.36Å; K404-K408 WeakPolarHBondContact O-CB 3.4Å; K404-K408 PolarHBondContact O-N 3.32Å; K404-I458 HydrophobicContact CB-CG2 4.4Å; K404-I458 HydrophobicContact CD-CG2 4.19Å; K404-I458 HydrophobicContact CG-CG2 4Å
405E94.8Very high91.5Very high117 Ų11752.1 Ų52.155%0.54729%0.285SS..Hα-helixtrans-64.8-40.7177.5-156-154.1137.300112.2A401 T402 K408 N409A401-E405 PolarHBondContact O-N 3.46Å; T402-E405 PolarHBondContact O-N 2.93Å; E405-K408 WeakPolarHBondContact O-CB 3.45Å; E405-K408 PolarHBondContact O-N 2.9Å; E405-N409 WeakPolarHBondContact O-CB 2.99Å; E405-N409 PolarHBondContact O-N 3.14Å; E405-N409 PolarHBondContact O-ND2 3.4Å; E405-N409 VanDerWaalsContact O-ND2 3.12Å; E405-N409 PolarHBondContact OE1-ND2 3.12Å; E405-N409 VanDerWaalsContact OE1-ND2 3.13Å
406L95.4Very high92Very high11 Ų1151.9 Ų51.96%0.05828%0.284CS..Hα-helixtrans-61.4-44.5174.1-72.1171.4000111.6T402 L410 M415 F420 R423T402-L406 HydrophobicContact CG2-CD1 4.08Å; T402-L406 HydrophobicContact CG2-CG 4.37Å; T402-L406 WeakPolarHBondContact O-CB 3.42Å; T402-L406 VanDerWaalsContact O-CG 3.22Å; T402-L406 WeakPolarHBondContact O-CG 3.4Å; T402-L406 PolarHBondContact O-N 3.06Å; L406-L410 WeakPolarHBondContact O-CB 3.42Å; L406-L410 PolarHBondContact O-N 3.3Å; L406-L410 VanDerWaalsContact O-N 3.12Å; L406-M415 HydrophobicContact CD2-CE 3.77Å; L406-M415 HydrophobicContact CD2-SD 4.37Å; L406-M415 VanDerWaalsContact O-SD 3.33Å; L406-F420 HydrophobicContact CB-CD2 3.96Å; L406-F420 HydrophobicContact CB-CE2 3.93Å; L406-F420 WeakPolarHBondContact O-CD2 3.29Å; L406-R423 HydrophobicContact CD1-CB 4.11Å; L406-R423 HydrophobicContact CD2-CB 3.66Å; L406-R423 HydrophobicContact CD2-CG 4.29Å
407V95.4Very high92.3Very high0 Ų049.3 Ų49.30%027%0.266CS..Hα-helixtrans-67.7-38.5176.6174.80000111.4L383 I387 V403 K404 L410 L411 F420 F457L383-V407 HydrophobicContact CB-CG1 4.03Å; L383-V407 HydrophobicContact CD1-CG1 4.32Å; L383-V407 HydrophobicContact CD2-CG1 4.19Å; L383-V407 HydrophobicContact CD2-CG2 4.11Å; L383-V407 HydrophobicContact CG-CG1 4.4Å; I387-V407 HydrophobicContact CD1-CB 4.48Å; I387-V407 HydrophobicContact CD1-CG1 3.95Å; I387-V407 HydrophobicContact CG1-CG1 4.48Å; I387-V407 HydrophobicContact CG1-CG2 4.36Å; V403-V407 WeakPolarHBondContact O-CG2 3.35Å; V403-V407 PolarHBondContact O-N 3.33Å; K404-V407 PolarHBondContact O-N 3.36Å; V407-L410 PolarHBondContact O-N 3.41Å; V407-L411 HydrophobicContact CG1-CD1 4.09Å; V407-L411 WeakPolarHBondContact O-CG 3.4Å; V407-L411 PolarHBondContact O-N 2.77Å; V407-L411 VanDerWaalsContact O-N 3.08Å; V407-F420 HydrophobicContact CG2-CE2 4.01Å; V407-F420 HydrophobicContact CG2-CZ 4.25Å; V407-F457 HydrophobicContact CG1-CE1 4.49Å
408K94.1Very high92.7Very high57 Ų5747.7 Ų47.725%0.24825%0.247CC..Hα-helixtrans-59.5-56.7174.8-174.1-170.9179.2161.20111.5K404 E405 L410 L411 E412 P454 E455 I458K404-K408 WeakPolarHBondContact O-CB 3.4Å; K404-K408 PolarHBondContact O-N 3.32Å; E405-K408 WeakPolarHBondContact O-CB 3.45Å; E405-K408 PolarHBondContact O-N 2.9Å; K408-L410 PolarHBondContact O-N 2.81Å; K408-L411 PolarHBondContact O-N 2.98Å; K408-E412 VanDerWaalsContact CE-OE2 3.24Å; K408-E412 WeakPolarHBondContact CE-OE2 3.5Å; K408-E412 HydrophobicContact CG-CG 4.25Å; K408-E412 WeakPolarHBondContact CG-OE2 3.39Å; K408-E412 PolarHBondContact O-N 3.23Å; K408-P454 HydrophobicContact CG-CB 4.49Å; K408-P454 HydrophobicContact CG-CG 4.47Å; K408-E455 VanDerWaalsContact CD-OE1 3.29Å; K408-E455 WeakPolarHBondContact CD-OE1 3.15Å; K408-E455 WeakPolarHBondContact CE-OE1 3.05Å; K408-E455 IonicContact NZ-OE1 2.9Å; K408-E455 PolarHBondContact NZ-OE1 3.45Å; K408-I458 HydrophobicContact CB-CD1 3.8Å; K408-I458 HydrophobicContact CG-CD1 4.45Å
409N94.4Very high93Very high31 Ų3144.5 Ų44.517%0.16623%0.234CC..Hα-helixtrans-59.1-33.3-179.3-77.3-46.8000112E405 G413 K414 M415E405-N409 WeakPolarHBondContact O-CB 2.99Å; E405-N409 PolarHBondContact O-N 3.14Å; E405-N409 PolarHBondContact O-ND2 3.4Å; E405-N409 VanDerWaalsContact O-ND2 3.12Å; E405-N409 PolarHBondContact OE1-ND2 3.12Å; E405-N409 VanDerWaalsContact OE1-ND2 3.13Å; N409-G413 PolarHBondContact O-N 3.49Å; N409-G413 VanDerWaalsContact O-N 3.15Å; N409-K414 HydrophobicContact CB-CB 4.27Å; N409-K414 PolarHBondContact O-N 2.77Å; N409-K414 WeakPolarHBondContact OD1-CD 3.43Å; N409-M415 HydrophobicContact CB-CG 4.09Å; N409-M415 HydrophobicContact CB-SD 3.59Å; N409-M415 VanDerWaalsContact CB-SD 3.59Å; N409-M415 PolarHBondContact O-N 3.17Å
410L95.5Very high93.4Very high0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-68.7-37.2174.5-172.269.7000113L383 L406 V407 K408 M415 P417 F420 L444 R448L383-L410 HydrophobicContact CD2-CD2 4.04Å; L406-L410 WeakPolarHBondContact O-CB 3.42Å; L406-L410 PolarHBondContact O-N 3.3Å; L406-L410 VanDerWaalsContact O-N 3.12Å; V407-L410 PolarHBondContact O-N 3.41Å; K408-L410 PolarHBondContact O-N 2.81Å; L410-M415 HydrophobicContact CB-CG 4.16Å; L410-M415 HydrophobicContact CB-SD 4.21Å; L410-M415 HydrophobicContact CD1-CG 4.15Å; L410-P417 HydrophobicContact CD1-CB 4.38Å; L410-F420 HydrophobicContact CB-CD2 3.98Å; L410-F420 HydrophobicContact CB-CE2 4.43Å; L410-F420 HydrophobicContact CB-CG 4.36Å; L410-F420 HydrophobicContact CD1-CB 3.81Å; L410-F420 HydrophobicContact CD1-CD2 4.5Å; L410-F420 HydrophobicContact CD1-CG 4.04Å; L410-F420 HydrophobicContact CD2-CB 4.43Å; L410-F420 HydrophobicContact CD2-CD1 3.73Å; L410-F420 HydrophobicContact CD2-CD2 3.86Å; L410-F420 HydrophobicContact CD2-CE1 3.87Å; L410-F420 HydrophobicContact CD2-CE2 3.98Å; L410-F420 HydrophobicContact CD2-CG 3.73Å; L410-F420 HydrophobicContact CD2-CZ 3.99Å; L410-F420 HydrophobicContact CG-CD2 4.33Å; L410-F420 HydrophobicContact CG-CG 4.25Å; L410-L444 HydrophobicContact CD1-CD1 3.62Å; L410-L444 HydrophobicContact CD2-CD1 4.14Å; L410-L444 HydrophobicContact CD2-CD2 4.01Å; L410-L444 HydrophobicContact CG-CD1 3.9Å; L410-L444 HydrophobicContact CG-CD2 3.92Å; L410-R448 VanDerWaalsContact O-CZ 3.25Å; L410-R448 PolarHBondContact O-NE 2.86Å; L410-R448 PolarHBondContact O-NH2 2.87Å
411L93.7Very high93.6Very high11 Ų1142.7 Ų42.76%0.05822%0.223CC..Hα-helixtrans-76.9-40.4176.1-69.8172.1000111.8L383 V407 K408 G413 L447 R448 T451 P454 F457L383-L411 HydrophobicContact CD1-CD2 3.95Å; L383-L411 HydrophobicContact CD1-CG 4.31Å; V407-L411 HydrophobicContact CG1-CD1 4.09Å; V407-L411 WeakPolarHBondContact O-CG 3.4Å; V407-L411 PolarHBondContact O-N 2.77Å; V407-L411 VanDerWaalsContact O-N 3.08Å; K408-L411 PolarHBondContact O-N 2.98Å; L411-G413 PolarHBondContact O-N 3.38Å; L411-L447 HydrophobicContact CD2-CD2 3.96Å; L411-L447 HydrophobicContact CD2-CG 4.14Å; L411-R448 WeakPolarHBondContact O-CD 3.47Å; L411-R448 VanDerWaalsContact O-CG 3.31Å; L411-R448 WeakPolarHBondContact O-CG 3.32Å; L411-T451 HydrophobicContact CD1-CG2 4.49Å; L411-P454 HydrophobicContact CB-CB 3.76Å; L411-P454 HydrophobicContact CD1-CB 4.06Å; L411-F457 HydrophobicContact CD1-CB 4.41Å; L411-F457 HydrophobicContact CD1-CD1 3.58Å; L411-F457 HydrophobicContact CD1-CE1 4.1Å; L411-F457 HydrophobicContact CD1-CG 4.07Å
412E92.6Very high93.6Very high76 Ų7643.5 Ų43.536%0.35523%0.225SC..Hα-helixtrans-66.1-16.2174.7-71.2-171.3100.100113.8K408 K414 P454K408-E412 VanDerWaalsContact CE-OE2 3.24Å; K408-E412 WeakPolarHBondContact CE-OE2 3.5Å; K408-E412 HydrophobicContact CG-CG 4.25Å; K408-E412 WeakPolarHBondContact CG-OE2 3.39Å; K408-E412 PolarHBondContact O-N 3.23Å; E412-K414 VanDerWaalsContact C-N 3.35Å; E412-K414 HydrophobicContact CB-CD 4.11Å; E412-K414 HydrophobicContact CB-CG 4.09Å; E412-K414 VanDerWaalsContact CD-CE 3.49Å; E412-K414 WeakPolarHBondContact OE1-CE 3.49Å; E412-K414 IonicContact OE1-NZ 3.16Å; E412-K414 PolarHBondContact OE1-NZ 2.85Å; E412-K414 WeakPolarHBondContact OE2-CE 3.49Å; E412-K414 IonicContact OE2-NZ 2.67Å; E412-K414 PolarHBondContact OE2-NZ 3.5Å; E412-P454 HydrophobicContact CG-CG 3.73Å
413G89.8Confident93.6Very high37 Ų3748.8 Ų48.838%0.38124%0.241SC..THydrogen-bonded Turntrans81.112.3-176.900000115N409 L411 M415 R448N409-G413 PolarHBondContact O-N 3.49Å; N409-G413 VanDerWaalsContact O-N 3.15Å; L411-G413 PolarHBondContact O-N 3.38Å; G413-M415 PolarHBondContact O-N 3.22Å; G413-R448 VanDerWaalsContact CA-CZ 3.47Å
414K89.6Confident93.6Very high133 Ų13349.1 Ų49.158%0.57824%0.242SC*.SBendtrans-77-8.3175.9-64.7172.6-174.9164.70113.4N409 E412N409-K414 HydrophobicContact CB-CB 4.27Å; N409-K414 PolarHBondContact O-N 2.77Å; N409-K414 WeakPolarHBondContact OD1-CD 3.43Å; E412-K414 VanDerWaalsContact C-N 3.35Å; E412-K414 HydrophobicContact CB-CD 4.11Å; E412-K414 HydrophobicContact CB-CG 4.09Å; E412-K414 VanDerWaalsContact CD-CE 3.49Å; E412-K414 WeakPolarHBondContact OE1-CE 3.49Å; E412-K414 IonicContact OE1-NZ 3.16Å; E412-K414 PolarHBondContact OE1-NZ 2.85Å; E412-K414 WeakPolarHBondContact OE2-CE 3.49Å; E412-K414 IonicContact OE2-NZ 2.67Å; E412-K414 PolarHBondContact OE2-NZ 3.5Å
415M91.4Very high93.7Very high21 Ų2148 Ų4810%0.10324%0.237CC..SBendtrans-144.6151.4175.274.6-168-44.100112.8L406 N409 L410 G413 D419 F420 R448L406-M415 HydrophobicContact CD2-CE 3.77Å; L406-M415 HydrophobicContact CD2-SD 4.37Å; L406-M415 VanDerWaalsContact O-SD 3.33Å; N409-M415 HydrophobicContact CB-CG 4.09Å; N409-M415 HydrophobicContact CB-SD 3.59Å; N409-M415 VanDerWaalsContact CB-SD 3.59Å; N409-M415 PolarHBondContact O-N 3.17Å; L410-M415 HydrophobicContact CB-CG 4.16Å; L410-M415 HydrophobicContact CB-SD 4.21Å; L410-M415 HydrophobicContact CD1-CG 4.15Å; G413-M415 PolarHBondContact O-N 3.22Å; M415-D419 HydrophobicContact CE-CB 4.26Å; M415-F420 HydrophobicContact CE-CB 3.88Å; M415-F420 HydrophobicContact CG-CB 4.33Å; M415-F420 HydrophobicContact SD-CB 3.96Å; M415-F420 HydrophobicContact SD-CD2 4.11Å; M415-R448 PolarHBondContact O-NH2 2.86Å
416E93.7Very high93.5Very high85 Ų8550.7 Ų50.740%0.39725%0.247SC..  trans-83.8156.4172-79.9-64.499.800111.8E418 D419 F420 K441E416-E418 VanDerWaalsContact C-N 3.27Å; E416-E418 PolarHBondContact O-N 2.85Å; E416-D419 PolarHBondContact O-N 3.1Å; E416-F420 PolarHBondContact O-N 3.44Å; E416-K441 WeakPolarHBondContact OE2-CE 3.43Å; E416-K441 IonicContact OE2-NZ 3.29Å; E416-K441 PolarHBondContact OE2-NZ 3.02Å
417P92.7Very high93.3Very high3 Ų352.6 Ų52.62%0.01926%0.255CS..Hα-helixtrans-67.8-24.1-177.624.8-30.8000113.7L410 T421 L440 K441 L444L410-P417 HydrophobicContact CD1-CB 4.38Å; P417-T421 WeakPolarHBondContact O-CB 3.43Å; P417-T421 VanDerWaalsContact O-CG2 3.32Å; P417-T421 WeakPolarHBondContact O-CG2 3.27Å; P417-T421 PolarHBondContact O-N 3.24Å; P417-T421 PolarHBondContact O-OG1 3.01Å; P417-L440 HydrophobicContact CB-CB 3.63Å; P417-L440 HydrophobicContact CB-CD1 3.9Å; P417-L440 HydrophobicContact CB-CG 4.43Å; P417-L440 HydrophobicContact CG-CB 4.39Å; P417-K441 HydrophobicContact CG-CD 4.11Å; P417-K441 HydrophobicContact CG-CG 3.36Å; P417-L444 HydrophobicContact CB-CD1 4.1Å; P417-L444 HydrophobicContact CG-CD1 4.33Å
418E94.1Very high93Very high73 Ų7354.8 Ų54.834%0.34127%0.267SS..Hα-helixtrans-59.2-50.3168.5-7577.2179.100111.6E416 T421 S422 V437 K441E416-E418 VanDerWaalsContact C-N 3.27Å; E416-E418 PolarHBondContact O-N 2.85Å; E418-T421 PolarHBondContact O-OG1 3.33Å; E418-S422 VanDerWaalsContact O-CB 3.3Å; E418-S422 WeakPolarHBondContact O-CB 3.46Å; E418-S422 PolarHBondContact O-N 3.29Å; E418-S422 PolarHBondContact O-OG 2.82Å; E418-V437 VanDerWaalsContact CD-CG1 3.42Å; E418-V437 HydrophobicContact CG-CG1 3.87Å; E418-V437 WeakPolarHBondContact OE1-CG1 3.36Å; E418-K441 WeakPolarHBondContact OE1-CE 3.35Å; E418-K441 IonicContact OE1-NZ 3.46Å; E418-K441 PolarHBondContact OE1-NZ 3.21Å; E418-K441 WeakPolarHBondContact OE2-CE 3.29Å; E418-K441 IonicContact OE2-NZ 2.64Å; E418-K441 PolarHBondContact OE2-NZ 2.82Å
419D94Very high92.7Very high83 Ų8359.3 Ų59.344%0.44429%0.294SS..Hα-helixtrans-67.1-42.5178.1-71.2-55.9000111.8M415 E416 S422 R423M415-D419 HydrophobicContact CE-CB 4.26Å; E416-D419 PolarHBondContact O-N 3.1Å; D419-S422 PolarHBondContact O-N 3.21Å; D419-R423 WeakPolarHBondContact O-CB 3.09Å; D419-R423 VanDerWaalsContact O-CG 3.29Å; D419-R423 WeakPolarHBondContact O-CG 3.34Å; D419-R423 PolarHBondContact O-N 2.87Å
420F96.2Very high92.3Very high0 Ų059.9 Ų59.90%030%0.3CS..Hα-helixtrans-59.3-50.8177.5168.1-96000111.4F382 L383 L386 L406 V407 L410 M415 E416 R423 L424 L440F382-F420 HydrophobicContact CE1-CE1 4.34Å; L383-F420 HydrophobicContact CD2-CE1 4.49Å; L383-F420 HydrophobicContact CD2-CZ 3.99Å; L386-F420 HydrophobicContact CD1-CZ 3.92Å; L406-F420 HydrophobicContact CB-CD2 3.96Å; L406-F420 HydrophobicContact CB-CE2 3.93Å; L406-F420 WeakPolarHBondContact O-CD2 3.29Å; V407-F420 HydrophobicContact CG2-CE2 4.01Å; V407-F420 HydrophobicContact CG2-CZ 4.25Å; L410-F420 HydrophobicContact CB-CD2 3.98Å; L410-F420 HydrophobicContact CB-CE2 4.43Å; L410-F420 HydrophobicContact CB-CG 4.36Å; L410-F420 HydrophobicContact CD1-CB 3.81Å; L410-F420 HydrophobicContact CD1-CD2 4.5Å; L410-F420 HydrophobicContact CD1-CG 4.04Å; L410-F420 HydrophobicContact CD2-CB 4.43Å; L410-F420 HydrophobicContact CD2-CD1 3.73Å; L410-F420 HydrophobicContact CD2-CD2 3.86Å; L410-F420 HydrophobicContact CD2-CE1 3.87Å; L410-F420 HydrophobicContact CD2-CE2 3.98Å; L410-F420 HydrophobicContact CD2-CG 3.73Å; L410-F420 HydrophobicContact CD2-CZ 3.99Å; L410-F420 HydrophobicContact CG-CD2 4.33Å; L410-F420 HydrophobicContact CG-CG 4.25Å; M415-F420 HydrophobicContact CE-CB 3.88Å; M415-F420 HydrophobicContact CG-CB 4.33Å; M415-F420 HydrophobicContact SD-CB 3.96Å; M415-F420 HydrophobicContact SD-CD2 4.11Å; E416-F420 PolarHBondContact O-N 3.44Å; F420-R423 PolarHBondContact O-N 3.33Å; F420-L424 HydrophobicContact CE1-CD2 3.88Å; F420-L424 HydrophobicContact CZ-CD2 3.97Å; F420-L424 WeakPolarHBondContact O-CB 3.48Å; F420-L424 PolarHBondContact O-N 3.27Å; F420-L440 HydrophobicContact CD1-CD1 3.87Å; F420-L440 HydrophobicContact CE1-CD1 4.08Å
421T95Very high92Very high3 Ų364.5 Ų64.52%0.01833%0.333CS..Hα-helixtrans-65.6-41.7179.952.90000111.5P417 E418 R423 L424 Y425 L436 V437 L440P417-T421 WeakPolarHBondContact O-CB 3.43Å; P417-T421 VanDerWaalsContact O-CG2 3.32Å; P417-T421 WeakPolarHBondContact O-CG2 3.27Å; P417-T421 PolarHBondContact O-N 3.24Å; P417-T421 PolarHBondContact O-OG1 3.01Å; E418-T421 PolarHBondContact O-OG1 3.33Å; T421-R423 PolarHBondContact O-N 2.83Å; T421-L424 PolarHBondContact O-N 2.96Å; T421-Y425 WeakPolarHBondContact O-CB 3.48Å; T421-Y425 WeakPolarHBondContact O-CD2 3.38Å; T421-Y425 PolarHBondContact O-N 2.79Å; T421-L436 HydrophobicContact CG2-CB 4.48Å; T421-L436 HydrophobicContact CG2-CD2 3.63Å; T421-L436 HydrophobicContact CG2-CG 3.75Å; T421-V437 HydrophobicContact CG2-CG2 3.85Å; T421-V437 WeakPolarHBondContact OG1-CG2 3.28Å; T421-L440 HydrophobicContact CG2-CD1 3.74Å
422S92.8Very high91.6Very high74 Ų7468.4 Ų68.452%0.51736%0.359SS..Hα-helixtrans-59.7-42.9176.9-58.70000112.7E418 D419 K426E418-S422 VanDerWaalsContact O-CB 3.3Å; E418-S422 WeakPolarHBondContact O-CB 3.46Å; E418-S422 PolarHBondContact O-N 3.29Å; E418-S422 PolarHBondContact O-OG 2.82Å; D419-S422 PolarHBondContact O-N 3.21Å; S422-K426 PolarHBondContact O-N 2.89Å
423R93.1Very high91.5Very high154 Ų15469.9 Ų69.958%0.58137%0.366SS*.Hα-helixtrans-69.7-42.8175-68.6175.3-171.6-131.23.8111.8L406 D419 F420 T421 Y425 K426 E427L406-R423 HydrophobicContact CD1-CB 4.11Å; L406-R423 HydrophobicContact CD2-CB 3.66Å; L406-R423 HydrophobicContact CD2-CG 4.29Å; D419-R423 WeakPolarHBondContact O-CB 3.09Å; D419-R423 VanDerWaalsContact O-CG 3.29Å; D419-R423 WeakPolarHBondContact O-CG 3.34Å; D419-R423 PolarHBondContact O-N 2.87Å; F420-R423 PolarHBondContact O-N 3.33Å; T421-R423 PolarHBondContact O-N 2.83Å; R423-Y425 PolarHBondContact O-N 2.88Å; R423-K426 PolarHBondContact O-N 2.71Å; R423-E427 WeakPolarHBondContact O-CB 3.4Å; R423-E427 PolarHBondContact O-N 2.73Å
424L94.7Very high91.2Very high7 Ų773.2 Ų73.24%0.03738%0.38CS..Hα-helixtrans-62.1-40.1178.3-173.872.5000112.6F382 L386 V403 F420 T421 E427 L428F382-L424 HydrophobicContact CZ-CD2 4.47Å; L386-L424 HydrophobicContact CD1-CD1 4.21Å; L386-L424 HydrophobicContact CD1-CD2 3.69Å; L386-L424 HydrophobicContact CD2-CD1 4.49Å; L386-L424 HydrophobicContact CD2-CD2 4.24Å; V403-L424 HydrophobicContact CG2-CD1 4.38Å; F420-L424 HydrophobicContact CE1-CD2 3.88Å; F420-L424 HydrophobicContact CZ-CD2 3.97Å; F420-L424 WeakPolarHBondContact O-CB 3.48Å; F420-L424 PolarHBondContact O-N 3.27Å; T421-L424 PolarHBondContact O-N 2.96Å; L424-E427 PolarHBondContact O-N 3.5Å; L424-L428 HydrophobicContact CD1-CD1 3.6Å; L424-L428 HydrophobicContact CD1-CG 4.14Å; L424-L428 HydrophobicContact CG-CD1 4.15Å; L424-L428 WeakPolarHBondContact O-CB 3.26Å; L424-L428 PolarHBondContact O-N 3.36Å
425Y94Very high91.3Very high33 Ų3376.1 Ų76.113%0.12939%0.389CS..Hα-helixtrans-63.3-41.4176-62.4-38.2000111.6T421 R423 N429 S430 P432 Q433 L436T421-Y425 WeakPolarHBondContact O-CB 3.48Å; T421-Y425 WeakPolarHBondContact O-CD2 3.38Å; T421-Y425 PolarHBondContact O-N 2.79Å; R423-Y425 PolarHBondContact O-N 2.88Å; Y425-N429 CarbonylContact O-C 3.53Å; Y425-N429 WeakPolarHBondContact O-CA 3.44Å; Y425-N429 PolarHBondContact O-N 3.1Å; Y425-N429 VanDerWaalsContact O-N 3.12Å; Y425-S430 WeakPolarHBondContact CB-O 3.38Å; Y425-S430 PolarHBondContact O-N 3.4Å; Y425-P432 HydrophobicContact CD2-CB 3.99Å; Y425-P432 HydrophobicContact CE2-CB 3.81Å; Y425-Q433 HydrophobicContact CE1-CG 4.38Å; Y425-Q433 PolarHBondContact OH-N 3.32Å; Y425-Q433 PolarHBondContact OH-O 3.09Å; Y425-L436 HydrophobicContact CE1-CD2 4.33Å
426K91.7Very high91.4Very high172 Ų17275.6 Ų75.675%0.74839%0.386SS*.Hα-helixtrans-66-49.3175-173.3-173.6177-169.30111.7S422 R423 N429S422-K426 PolarHBondContact O-N 2.89Å; R423-K426 PolarHBondContact O-N 2.71Å; K426-N429 PolarHBondContact O-N 3.43Å
427E91.4Very high91.5Very high51 Ų5172.9 Ų72.924%0.23838%0.376CS..Hα-helixtrans-64.9-43.3-174.8-170.957.9-144.300112.3T399 T402 V403 R423 L424T399-E427 VanDerWaalsContact CA-OE1 3.22Å; T399-E427 WeakPolarHBondContact CA-OE1 3.15Å; T399-E427 VanDerWaalsContact CB-OE1 3.25Å; T399-E427 WeakPolarHBondContact CB-OE1 3.43Å; T399-E427 HydrophobicContact CG2-CG 4.08Å; T399-E427 WeakPolarHBondContact CG2-OE1 3.4Å; T399-E427 PolarHBondContact OG1-OE1 3.46Å; T402-E427 HydrophobicContact CG2-CG 3.93Å; V403-E427 HydrophobicContact CG2-CG 4.15Å; R423-E427 WeakPolarHBondContact O-CB 3.4Å; R423-E427 PolarHBondContact O-N 2.73Å; L424-E427 PolarHBondContact O-N 3.5Å
428L89.8Confident91.5Very high46 Ų4676.6 Ų76.624%0.24140%0.4CS..THydrogen-bonded Turntrans-9410.6179.2-62.1-178.6000113.7L386 T399 V403 L424 S430L386-L428 HydrophobicContact CD2-CD1 4.27Å; T399-L428 HydrophobicContact CG2-CD2 3.9Å; V403-L428 HydrophobicContact CG2-CD1 4.5Å; V403-L428 HydrophobicContact CG2-CD2 3.97Å; V403-L428 HydrophobicContact CG2-CG 4.26Å; L424-L428 HydrophobicContact CD1-CD1 3.6Å; L424-L428 HydrophobicContact CD1-CG 4.14Å; L424-L428 HydrophobicContact CG-CD1 4.15Å; L424-L428 WeakPolarHBondContact O-CB 3.26Å; L424-L428 PolarHBondContact O-N 3.36Å; L428-S430 PolarHBondContact O-N 3.05Å; L428-S430 VanDerWaalsContact O-N 3.13Å
429N86.1Confident91.6Very high152 Ų15275.5 Ų75.581%0.81339%0.394SS*.THydrogen-bonded Turntrans44.543.5-175.5-70.1-80.5000113.3Y425 K426Y425-N429 CarbonylContact O-C 3.53Å; Y425-N429 WeakPolarHBondContact O-CA 3.44Å; Y425-N429 PolarHBondContact O-N 3.1Å; Y425-N429 VanDerWaalsContact O-N 3.12Å; K426-N429 PolarHBondContact O-N 3.43Å
430S87.2Confident91.7Very high43 Ų4371.5 Ų71.530%0.30137%0.373SS..  trans-111.4146.1-167.9600000113Y425 L428Y425-S430 WeakPolarHBondContact CB-O 3.38Å; Y425-S430 PolarHBondContact O-N 3.4Å; L428-S430 PolarHBondContact O-N 3.05Å; L428-S430 VanDerWaalsContact O-N 3.13Å
431S87.8Confident91.6Very high98 Ų9875.9 Ų75.969%0.68539%0.392SS*.  trans-70.4137.5-176-170.50000111.9
432P87Confident91.5Very high93 Ų9382.4 Ų82.460%0.60442%0.416SS*.  trans-65.1135.2-174.925.5-35.1000113Y425Y425-P432 HydrophobicContact CD2-CB 3.99Å; Y425-P432 HydrophobicContact CE2-CB 3.81Å
433Q88.7Confident91.6Very high107 Ų10778.9 Ų78.950%0.539%0.391SS..  trans-104.9113.5-176.7-59.6-176.918.900111Y425 Y435 L436Y425-Q433 HydrophobicContact CE1-CG 4.38Å; Y425-Q433 PolarHBondContact OH-N 3.32Å; Y425-Q433 PolarHBondContact OH-O 3.09Å; Q433-Y435 PolarHBondContact O-N 2.63Å; Q433-Y435 VanDerWaalsContact O-N 3.15Å; Q433-L436 HydrophobicContact CB-CB 3.91Å; Q433-L436 PolarHBondContact O-N 2.67Å
434P84.7Confident91.7Very high106 Ų10671.7 Ų71.769%0.68837%0.365SS*.THydrogen-bonded Turntrans-67.2-20.8-17025.3-34.8000114.4
435Y92.1Very high91.7Very high194 Ų19475.1 Ų75.176%0.76139%0.387SS*.THydrogen-bonded Turntrans-98.6-5.9-179.5-60.7-68.1000114.2Q433 F439Q433-Y435 PolarHBondContact O-N 2.63Å; Q433-Y435 VanDerWaalsContact O-N 3.15Å; Y435-F439 VanDerWaalsContact O-CB 3.27Å; Y435-F439 WeakPolarHBondContact O-CB 3.38Å; Y435-F439 PolarHBondContact O-N 2.64Å; Y435-F439 VanDerWaalsContact O-N 3.16Å
436L93.8Very high91.6Very high10 Ų1074 Ų745%0.05239%0.385CS..Hα-helixtrans-71.7-44.9-174.1-178.257.1000112.3F382 T421 Y425 Q433 F439 L440F382-L436 HydrophobicContact CE1-CD1 3.95Å; F382-L436 HydrophobicContact CE2-CD1 4.13Å; F382-L436 HydrophobicContact CZ-CD1 3.67Å; F382-L436 HydrophobicContact CZ-CD2 3.92Å; F382-L436 HydrophobicContact CZ-CG 4.43Å; T421-L436 HydrophobicContact CG2-CB 4.48Å; T421-L436 HydrophobicContact CG2-CD2 3.63Å; T421-L436 HydrophobicContact CG2-CG 3.75Å; Y425-L436 HydrophobicContact CE1-CD2 4.33Å; Q433-L436 HydrophobicContact CB-CB 3.91Å; Q433-L436 PolarHBondContact O-N 2.67Å; L436-F439 HydrophobicContact CD1-CD1 4.23Å; L436-F439 PolarHBondContact O-N 3.31Å; L436-L440 HydrophobicContact CD1-CD1 4.15Å; L436-L440 HydrophobicContact CD1-CG 4.08Å; L436-L440 HydrophobicContact CG-CD1 4.08Å; L436-L440 HydrophobicContact CG-CG 4.43Å; L436-L440 WeakPolarHBondContact O-CG 3.3Å; L436-L440 PolarHBondContact O-N 2.85Å
437V94.5Very high91.6Very high29 Ų2966.2 Ų66.218%0.17635%0.351CS..Hα-helixtrans-63-48.8178.4172.70000112.3E418 T421 F439 L440 K441E418-V437 VanDerWaalsContact CD-CG1 3.42Å; E418-V437 HydrophobicContact CG-CG1 3.87Å; E418-V437 WeakPolarHBondContact OE1-CG1 3.36Å; T421-V437 HydrophobicContact CG2-CG2 3.85Å; T421-V437 WeakPolarHBondContact OG1-CG2 3.28Å; V437-F439 VanDerWaalsContact C-N 3.29Å; V437-F439 PolarHBondContact O-N 2.9Å; V437-L440 PolarHBondContact O-N 3.05Å; V437-K441 PolarHBondContact O-N 3.19Å
438P92.8Very high91.8Very high80 Ų8067.2 Ų67.252%0.51935%0.353SS..Hα-helixtrans-59.4-35.8173.6-26.235.2000114R442P438-R442 PolarHBondContact O-N 3.44Å
439F96.2Very high91.8Very high50 Ų5072.4 Ų72.422%0.21938%0.376CS..Hα-helixtrans-66.2-46.5175.7168.4-107.9000112N375 K378 C379 Y435 L436 V437 R442 S443N375-F439 HydrophobicContact CB-CE2 4.27Å; K378-F439 HydrophobicContact CB-CE2 4.04Å; K378-F439 HydrophobicContact CB-CZ 3.69Å; C379-F439 HydrophobicContact CB-CE1 4.11Å; C379-F439 HydrophobicContact CB-CZ 3.87Å; Y435-F439 VanDerWaalsContact O-CB 3.27Å; Y435-F439 WeakPolarHBondContact O-CB 3.38Å; Y435-F439 PolarHBondContact O-N 2.64Å; Y435-F439 VanDerWaalsContact O-N 3.16Å; L436-F439 HydrophobicContact CD1-CD1 4.23Å; L436-F439 PolarHBondContact O-N 3.31Å; V437-F439 VanDerWaalsContact C-N 3.29Å; V437-F439 PolarHBondContact O-N 2.9Å; F439-R442 PolarHBondContact O-N 3.49Å; F439-S443 WeakPolarHBondContact O-CB 3.22Å; F439-S443 PolarHBondContact O-N 2.76Å; F439-S443 VanDerWaalsContact O-N 3.14Å; F439-S443 PolarHBondContact O-OG 2.8Å
440L95.6Very high91.8Very high0 Ų070.3 Ų70.30%036%0.362CS..Hα-helixtrans-62.7-46.4176.5-70.6175.2000111.2F382 P417 F420 T421 L436 V437 R442 S443 L444F382-L440 HydrophobicContact CD1-CD2 4.36Å; F382-L440 HydrophobicContact CE1-CD2 4.24Å; P417-L440 HydrophobicContact CB-CB 3.63Å; P417-L440 HydrophobicContact CB-CD1 3.9Å; P417-L440 HydrophobicContact CB-CG 4.43Å; P417-L440 HydrophobicContact CG-CB 4.39Å; F420-L440 HydrophobicContact CD1-CD1 3.87Å; F420-L440 HydrophobicContact CE1-CD1 4.08Å; T421-L440 HydrophobicContact CG2-CD1 3.74Å; L436-L440 HydrophobicContact CD1-CD1 4.15Å; L436-L440 HydrophobicContact CD1-CG 4.08Å; L436-L440 HydrophobicContact CG-CD1 4.08Å; L436-L440 HydrophobicContact CG-CG 4.43Å; L436-L440 WeakPolarHBondContact O-CG 3.3Å; L436-L440 PolarHBondContact O-N 2.85Å; V437-L440 PolarHBondContact O-N 3.05Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.22Å; L440-S443 PolarHBondContact O-N 3.18Å; L440-L444 HydrophobicContact CB-CD1 3.93Å; L440-L444 HydrophobicContact CB-CG 4.43Å; L440-L444 WeakPolarHBondContact O-CB 3.1Å; L440-L444 VanDerWaalsContact O-CG 3.3Å; L440-L444 WeakPolarHBondContact O-CG 3.41Å; L440-L444 PolarHBondContact O-N 2.78Å
441K94.9Very high91.8Very high92 Ų9269.3 Ų69.340%0.436%0.355SS..Hα-helixtrans-58.5-35.1177.6-78.6-164152.2164.10113.7E416 P417 E418 V437 P445E416-K441 WeakPolarHBondContact OE2-CE 3.43Å; E416-K441 IonicContact OE2-NZ 3.29Å; E416-K441 PolarHBondContact OE2-NZ 3.02Å; P417-K441 HydrophobicContact CG-CD 4.11Å; P417-K441 HydrophobicContact CG-CG 3.36Å; E418-K441 WeakPolarHBondContact OE1-CE 3.35Å; E418-K441 IonicContact OE1-NZ 3.46Å; E418-K441 PolarHBondContact OE1-NZ 3.21Å; E418-K441 WeakPolarHBondContact OE2-CE 3.29Å; E418-K441 IonicContact OE2-NZ 2.64Å; E418-K441 PolarHBondContact OE2-NZ 2.82Å; V437-K441 PolarHBondContact O-N 3.19Å; K441-P445 VanDerWaalsContact O-CD 3.29Å; K441-P445 WeakPolarHBondContact O-CD 3.5Å
442R93.3Very high91.4Very high139 Ų13970.8 Ų70.853%0.52536%0.362SS..Hα-helixtrans-81.2-15.2176.3-168.3158.566.9121.2-5.2114.2E371 P438 F439 L440E371-R442 IonicContact OE2-NH1 3.65Å; E371-R442 PolarHBondContact OE2-NH1 2.92Å; P438-R442 PolarHBondContact O-N 3.44Å; F439-R442 PolarHBondContact O-N 3.49Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.22Å
443S94.8Very high91.4Very high0 Ų070 Ų700%035%0.353CS..Hα-helixtrans-107.1-37.4-174-51.20000113.7C379 F439 L440 A446 L447C379-S443 VanDerWaalsContact CB-CB 3.49Å; F439-S443 WeakPolarHBondContact O-CB 3.22Å; F439-S443 PolarHBondContact O-N 2.76Å; F439-S443 VanDerWaalsContact O-N 3.14Å; F439-S443 PolarHBondContact O-OG 2.8Å; L440-S443 PolarHBondContact O-N 3.18Å; S443-A446 PolarHBondContact O-N 3.07Å; S443-L447 WeakPolarHBondContact O-CB 3.35Å; S443-L447 PolarHBondContact O-N 3.21Å
444L95.3Very high91.3Very high4 Ų465.9 Ų65.92%0.02134%0.335CS..Hα-helixtrans-61.2-42.3-174.5-72.9167.3000114.5L410 P417 L440 A446 L447 R448L410-L444 HydrophobicContact CD1-CD1 3.62Å; L410-L444 HydrophobicContact CD2-CD1 4.14Å; L410-L444 HydrophobicContact CD2-CD2 4.01Å; L410-L444 HydrophobicContact CG-CD1 3.9Å; L410-L444 HydrophobicContact CG-CD2 3.92Å; P417-L444 HydrophobicContact CB-CD1 4.1Å; P417-L444 HydrophobicContact CG-CD1 4.33Å; L440-L444 HydrophobicContact CB-CD1 3.93Å; L440-L444 HydrophobicContact CB-CG 4.43Å; L440-L444 WeakPolarHBondContact O-CB 3.1Å; L440-L444 VanDerWaalsContact O-CG 3.3Å; L440-L444 WeakPolarHBondContact O-CG 3.41Å; L440-L444 PolarHBondContact O-N 2.78Å; L444-A446 PolarHBondContact O-N 3.29Å; L444-A446 VanDerWaalsContact O-N 3.16Å; L444-L447 HydrophobicContact CD2-CD2 4.46Å; L444-L447 PolarHBondContact O-N 3.11Å; L444-L447 VanDerWaalsContact O-N 3.14Å; L444-R448 WeakPolarHBondContact O-CB 3.22Å; L444-R448 WeakPolarHBondContact O-CG 3.11Å; L444-R448 PolarHBondContact O-N 3.32Å
445P93.3Very high91.4Very high79 Ų7964.2 Ų64.251%0.51332%0.318SS..Hα-helixtrans-60-30.3-177.7-26.336.1000114.1K441 Q449K441-P445 VanDerWaalsContact O-CD 3.29Å; K441-P445 WeakPolarHBondContact O-CD 3.5Å; P445-Q449 PolarHBondContact O-NE2 3.39Å
446A92.5Very high91.2Very high9 Ų957 Ų577%0.07430%0.299CS..Hα-helixtrans-89.9-35.2174.100000112.2T372 V376 S443 L444 R448 Q449 M450T372-A446 HydrophobicContact CG2-CB 3.81Å; V376-A446 HydrophobicContact CG2-CB 3.49Å; V376-A446 VanDerWaalsContact CG2-CB 3.49Å; S443-A446 PolarHBondContact O-N 3.07Å; L444-A446 PolarHBondContact O-N 3.29Å; L444-A446 VanDerWaalsContact O-N 3.16Å; A446-R448 PolarHBondContact O-N 3.29Å; A446-Q449 PolarHBondContact O-N 2.73Å; A446-M450 WeakPolarHBondContact O-CG 3.43Å; A446-M450 PolarHBondContact O-N 2.62Å; A446-M450 VanDerWaalsContact O-N 3.1Å
447L92.9Very high91.1Very high8 Ų858.2 Ų58.24%0.04230%0.304CS..Hα-helixtrans-63.3-39.3175.9-178.462.8000112.4V376 C379 L383 L411 S443 L444 Q449 M450 T451V376-L447 HydrophobicContact CG1-CB 4.1Å; V376-L447 HydrophobicContact CG1-CD1 3.84Å; C379-L447 HydrophobicContact CB-CD2 4.06Å; L383-L447 HydrophobicContact CD1-CD2 3.86Å; L411-L447 HydrophobicContact CD2-CD2 3.96Å; L411-L447 HydrophobicContact CD2-CG 4.14Å; S443-L447 WeakPolarHBondContact O-CB 3.35Å; S443-L447 PolarHBondContact O-N 3.21Å; L444-L447 HydrophobicContact CD2-CD2 4.46Å; L444-L447 PolarHBondContact O-N 3.11Å; L444-L447 VanDerWaalsContact O-N 3.14Å; L447-Q449 VanDerWaalsContact C-N 3.32Å; L447-Q449 PolarHBondContact O-N 2.85Å; L447-M450 CarbonylContact O-C 3.19Å; L447-M450 PolarHBondContact O-N 3.07Å; L447-M450 VanDerWaalsContact O-N 3.14Å; L447-T451 WeakPolarHBondContact CD1-OG1 3.16Å; L447-T451 VanDerWaalsContact O-CB 3.29Å; L447-T451 WeakPolarHBondContact O-CB 3.23Å; L447-T451 PolarHBondContact O-N 3.07Å; L447-T451 PolarHBondContact O-OG1 3.03Å
448R94.3Very high90.9Very high72 Ų7257.2 Ų57.227%0.27230%0.297SS..Hα-helixtrans-62-37.2175.4-68-174.6-176.3152.71.3112L410 L411 G413 M415 L444 A446 M450 T451L410-R448 VanDerWaalsContact O-CZ 3.25Å; L410-R448 PolarHBondContact O-NE 2.86Å; L410-R448 PolarHBondContact O-NH2 2.87Å; L411-R448 WeakPolarHBondContact O-CD 3.47Å; L411-R448 VanDerWaalsContact O-CG 3.31Å; L411-R448 WeakPolarHBondContact O-CG 3.32Å; G413-R448 VanDerWaalsContact CA-CZ 3.47Å; M415-R448 PolarHBondContact O-NH2 2.86Å; L444-R448 WeakPolarHBondContact O-CB 3.22Å; L444-R448 WeakPolarHBondContact O-CG 3.11Å; L444-R448 PolarHBondContact O-N 3.32Å; A446-R448 PolarHBondContact O-N 3.29Å; R448-M450 VanDerWaalsContact C-N 3.34Å; R448-T451 PolarHBondContact O-N 3.27Å
449Q90.1Very high90.6Very high156 Ų15659.1 Ų59.173%0.72930%0.299SS*.Hα-helixtrans-71.4-26.6174.3-72174.985.800113.3P445 A446 L447P445-Q449 PolarHBondContact O-NE2 3.39Å; A446-Q449 PolarHBondContact O-N 2.73Å; L447-Q449 VanDerWaalsContact C-N 3.32Å; L447-Q449 PolarHBondContact O-N 2.85Å
450M85.7Confident90.1Very high107 Ų10762 Ų6253%0.52731%0.313SS..Hα-helixtrans-91.5-4.6176.8-66.5-174.469.300114L373 V376 A446 L447 R448L373-M450 HydrophobicContact CD1-CE 4.07Å; L373-M450 HydrophobicContact CD1-SD 4Å; V376-M450 HydrophobicContact CG1-SD 3.82Å; A446-M450 WeakPolarHBondContact O-CG 3.43Å; A446-M450 PolarHBondContact O-N 2.62Å; A446-M450 VanDerWaalsContact O-N 3.1Å; L447-M450 CarbonylContact O-C 3.19Å; L447-M450 PolarHBondContact O-N 3.07Å; L447-M450 VanDerWaalsContact O-N 3.14Å; R448-M450 VanDerWaalsContact C-N 3.34Å
451T86.8Confident89.7Confident23 Ų2362.2 Ų62.214%0.14132%0.315CS..  trans-127.175.8-175.5-44.80000109.5L411 L447 R448 D453 F457L411-T451 HydrophobicContact CD1-CG2 4.49Å; L447-T451 WeakPolarHBondContact CD1-OG1 3.16Å; L447-T451 VanDerWaalsContact O-CB 3.29Å; L447-T451 WeakPolarHBondContact O-CB 3.23Å; L447-T451 PolarHBondContact O-N 3.07Å; L447-T451 PolarHBondContact O-OG1 3.03Å; R448-T451 PolarHBondContact O-N 3.27Å; T451-D453 VanDerWaalsContact C-N 3.25Å; T451-D453 PolarHBondContact O-N 3.29Å; T451-F457 HydrophobicContact CG2-CB 3.69Å; T451-F457 HydrophobicContact CG2-CD2 3.96Å; T451-F457 HydrophobicContact CG2-CG 3.98Å
452P79.5Confident89Confident129 Ų12961.3 Ų61.384%0.83831%0.314SS*.SBendtrans-69-21.2-173.428.1-35.7000113.8
453D87.5Confident88.1Confident76 Ų7659.7 Ų59.741%0.40632%0.315SS..  trans-126.5114.7170.817813.9000111T451 E455 A456 F457T451-D453 VanDerWaalsContact C-N 3.25Å; T451-D453 PolarHBondContact O-N 3.29Å; D453-E455 WeakPolarHBondContact OD1-CB 3.26Å; D453-E455 PolarHBondContact OD1-N 2.84Å; D453-A456 HydrophobicContact CB-CB 4.01Å; D453-A456 PolarHBondContact OD1-N 3.17Å; D453-A456 WeakPolarHBondContact OD2-CB 3.39Å; D453-A456 PolarHBondContact OD2-N 3.43Å; D453-F457 PolarHBondContact O-N 2.71Å
454P87.4Confident85.8Confident20 Ų2065.4 Ų65.413%0.1335%0.353CS..Hα-helixtrans-74.9-23.7175.731.7-35000113.7K408 L411 E412 F457 I458K408-P454 HydrophobicContact CG-CB 4.49Å; K408-P454 HydrophobicContact CG-CG 4.47Å; L411-P454 HydrophobicContact CB-CB 3.76Å; L411-P454 HydrophobicContact CD1-CB 4.06Å; E412-P454 HydrophobicContact CG-CG 3.73Å; P454-F457 PolarHBondContact O-N 3.46Å; P454-I458 VanDerWaalsContact O-CG1 3.31Å; P454-I458 WeakPolarHBondContact O-CG1 3.48Å; P454-I458 PolarHBondContact O-N 3.3Å
455E87.1Confident83Confident71 Ų7171.8 Ų71.833%0.33238%0.382SS..Hα-helixtrans-72.2-47.4176-73.9-68.216600110.6K408 D453 F457 I458 Q459K408-E455 VanDerWaalsContact CD-OE1 3.29Å; K408-E455 WeakPolarHBondContact CD-OE1 3.15Å; K408-E455 WeakPolarHBondContact CE-OE1 3.05Å; K408-E455 IonicContact NZ-OE1 2.9Å; K408-E455 PolarHBondContact NZ-OE1 3.45Å; D453-E455 WeakPolarHBondContact OD1-CB 3.26Å; D453-E455 PolarHBondContact OD1-N 2.84Å; E455-F457 PolarHBondContact O-N 3.44Å; E455-I458 PolarHBondContact O-N 2.83Å; E455-I458 VanDerWaalsContact O-N 3.1Å; E455-Q459 WeakPolarHBondContact O-CG 3.42Å; E455-Q459 PolarHBondContact O-N 2.87Å
456A87.8Confident80.1Confident44 Ų4473.7 Ų73.736%0.36440%0.395SS..Hα-helixtrans-56.8-38.417000000112.1D453 I458 Q459 Q460D453-A456 HydrophobicContact CB-CB 4.01Å; D453-A456 PolarHBondContact OD1-N 3.17Å; D453-A456 WeakPolarHBondContact OD2-CB 3.39Å; D453-A456 PolarHBondContact OD2-N 3.43Å; A456-I458 PolarHBondContact O-N 2.99Å; A456-Q459 PolarHBondContact O-N 2.79Å; A456-Q460 WeakPolarHBondContact O-CB 3.48Å; A456-Q460 PolarHBondContact O-N 3.33Å
457F90.8Very high77.2Confident34 Ų3478.2 Ų78.215%0.14943%0.426CS..Hα-helixtrans-62.3-41174.6179.7-90.3000112.6L383 S384 I387 V407 L411 T451 D453 P454 E455 S461L383-F457 HydrophobicContact CB-CE1 3.87Å; L383-F457 HydrophobicContact CB-CZ 4.05Å; S384-F457 VanDerWaalsContact OG-CZ 3.28Å; S384-F457 WeakPolarHBondContact OG-CZ 2.99Å; I387-F457 HydrophobicContact CD1-CD1 4.35Å; I387-F457 HydrophobicContact CD1-CE1 4.07Å; V407-F457 HydrophobicContact CG1-CE1 4.49Å; L411-F457 HydrophobicContact CD1-CB 4.41Å; L411-F457 HydrophobicContact CD1-CD1 3.58Å; L411-F457 HydrophobicContact CD1-CE1 4.1Å; L411-F457 HydrophobicContact CD1-CG 4.07Å; T451-F457 HydrophobicContact CG2-CB 3.69Å; T451-F457 HydrophobicContact CG2-CD2 3.96Å; T451-F457 HydrophobicContact CG2-CG 3.98Å; D453-F457 PolarHBondContact O-N 2.71Å; P454-F457 PolarHBondContact O-N 3.46Å; E455-F457 PolarHBondContact O-N 3.44Å; F457-S461 WeakPolarHBondContact O-CB 3.26Å; F457-S461 PolarHBondContact O-N 3.02Å; F457-S461 PolarHBondContact O-OG 3.18Å
458I90.1Very high74.3Confident8 Ų883.7 Ų83.74%0.04147%0.465CS..Hα-helixtrans-67.3-46176.7-70.1163.6000110.7I387 K404 K408 P454 E455 A456 S461 L462I387-I458 HydrophobicContact CD1-CB 4.39Å; I387-I458 HydrophobicContact CD1-CG1 3.86Å; I387-I458 HydrophobicContact CG2-CG2 4.47Å; K404-I458 HydrophobicContact CB-CG2 4.4Å; K404-I458 HydrophobicContact CD-CG2 4.19Å; K404-I458 HydrophobicContact CG-CG2 4Å; K408-I458 HydrophobicContact CB-CD1 3.8Å; K408-I458 HydrophobicContact CG-CD1 4.45Å; P454-I458 VanDerWaalsContact O-CG1 3.31Å; P454-I458 WeakPolarHBondContact O-CG1 3.48Å; P454-I458 PolarHBondContact O-N 3.3Å; E455-I458 PolarHBondContact O-N 2.83Å; E455-I458 VanDerWaalsContact O-N 3.1Å; A456-I458 PolarHBondContact O-N 2.99Å; I458-S461 WeakPolarHBondContact O-CB 3.44Å; I458-S461 PolarHBondContact O-N 2.81Å; I458-L462 HydrophobicContact CG2-CD1 4.42Å; I458-L462 WeakPolarHBondContact O-CG 3.49Å; I458-L462 PolarHBondContact O-N 2.76Å
459Q86.7Confident71.3Confident121 Ų12188 Ų8857%0.56549%0.488SS*.Hα-helixtrans-63.1-45.6177.3-68.4178.658.400112.1E455 A456 S461 L462 L463E455-Q459 WeakPolarHBondContact O-CG 3.42Å; E455-Q459 PolarHBondContact O-N 2.87Å; A456-Q459 PolarHBondContact O-N 2.79Å; Q459-S461 PolarHBondContact O-N 3.45Å; Q459-L462 WeakPolarHBondContact O-CB 3.43Å; Q459-L462 PolarHBondContact O-N 2.8Å; Q459-L463 PolarHBondContact O-N 3.44Å
460Q86.5Confident68.5Low110 Ų11087.2 Ų87.251%0.51450%0.496SS..Hα-helixtrans-63.4-28.9176.3-177.459.697.500112.3A456 L462A456-Q460 WeakPolarHBondContact O-CB 3.48Å; A456-Q460 PolarHBondContact O-N 3.33Å; Q460-L462 VanDerWaalsContact C-N 3.32Å
461S86.3Confident65.7Low4 Ų486.4 Ų86.43%0.02851%0.506CS..Hα-helixtrans-73-21.3173.1-62.50000113.3S384 K388 F457 I458 Q459S384-S461 WeakPolarHBondContact CA-OG 3.5Å; S384-S461 WeakPolarHBondContact CB-OG 3.21Å; S384-S461 PolarHBondContact OG-OG 2.98Å; K388-S461 WeakPolarHBondContact CE-O 3.3Å; K388-S461 WeakPolarHBondContact CG-O 3.38Å; F457-S461 WeakPolarHBondContact O-CB 3.26Å; F457-S461 PolarHBondContact O-N 3.02Å; F457-S461 PolarHBondContact O-OG 3.18Å; I458-S461 WeakPolarHBondContact O-CB 3.44Å; I458-S461 PolarHBondContact O-N 2.81Å; Q459-S461 PolarHBondContact O-N 3.45Å
462L81.4Confident63Low73 Ų7390.3 Ų90.338%0.38254%0.541SS..Hα-helixtrans-87.5-24.3176.6-65.2167000112.9I387 S391 I458 Q459 Q460I387-L462 HydrophobicContact CG2-CD2 3.69Å; I387-L462 HydrophobicContact CG2-CG 3.98Å; S391-L462 WeakPolarHBondContact OG-CD2 3.37Å; I458-L462 HydrophobicContact CG2-CD1 4.42Å; I458-L462 WeakPolarHBondContact O-CG 3.49Å; I458-L462 PolarHBondContact O-N 2.76Å; Q459-L462 WeakPolarHBondContact O-CB 3.43Å; Q459-L462 PolarHBondContact O-N 2.8Å; Q460-L462 VanDerWaalsContact C-N 3.32Å
463L73.5Confident60.6Low105 Ų10588.9 Ų88.955%0.5554%0.54SS..SBendtrans-66.9136.5-177.9-138.672.7000111.7Q459 Q465Q459-L463 PolarHBondContact O-N 3.44Å; L463-Q465 PolarHBondContact O-N 3.24Å
464P46.5Very low57.7Low121 Ų12191.9 Ų91.979%0.78656%0.561SS**  trans-63.5108.5170.9-21.133.2000110.5
465Q37.2Very low54.7Low138 Ų13896.5 Ų96.565%0.64559%0.594SS**  trans-71.5128.2169.5-81.2-179.5-41.200109.3L463 S467L463-Q465 PolarHBondContact O-N 3.24Å; Q465-S467 PolarHBondContact O-N 2.8Å
466P31.3Very low52.3Low119 Ų11999.1 Ų99.177%0.77362%0.617SS**  trans-62.8136.7167.827.6-33.3000109.2S468P466-S468 PolarHBondContact O-N 2.97Å; P466-S468 VanDerWaalsContact O-N 3.14Å
467S31.8Very low49.3Very low104 Ų104101.6 Ų101.673%0.72764%0.638SS**  trans-68.6110.3177.651.90000110.2Q465 Q469Q465-S467 PolarHBondContact O-N 2.8Å; S467-Q469 VanDerWaalsContact C-N 3.26Å; S467-Q469 PolarHBondContact O-N 3.19Å
468S31.5Very low46.3Very low123 Ų123108.7 Ų108.786%0.8668%0.676SS**  trans-7374.9179.242.60000112.6P466P466-S468 PolarHBondContact O-N 2.97Å; P466-S468 VanDerWaalsContact O-N 3.14Å
469Q31.9Very low43.3Very low163 Ų163112.2 Ų112.276%0.76271%0.714SS**  trans-65141.3146.7-67.5-176.5-9200108.5S467 A471S467-Q469 VanDerWaalsContact C-N 3.26Å; S467-Q469 PolarHBondContact O-N 3.19Å; Q469-A471 PolarHBondContact O-N 3.4Å; Q469-A471 VanDerWaalsContact O-N 3.16Å
470P32Very low40.5Very low138 Ų138110.9 Ų110.990%0.89672%0.724SS**  trans-72.9105.3166.929.9-31.5000109
471A27.2Very low37.6Very low90 Ų90111.8 Ų111.874%0.74474%0.737SS**  trans-122.6134.1168.900000108.6Q469Q469-A471 PolarHBondContact O-N 3.4Å; Q469-A471 VanDerWaalsContact O-N 3.16Å
472A29.6Very low34.8Very low105 Ų105117.4 Ų117.487%0.86877%0.771SS**  trans-69147.9177.500000110.8
473A28.7Very low32.2Very low99 Ų99121.9 Ų121.982%0.81879%0.794SS**  trans-86119.1-17900000111.9
474T25.7Very low29.9Very low139 Ų139127.9 Ų127.985%0.85381%0.809SS**  trans-147.895.3145.950.10000109.6
475S24.2Very low29Very low117 Ų117128.6 Ų128.682%0.81881%0.814SS**  trans-85.9168.5151.7-67.20000108.3
476P38.1Very low28.4Very low127 Ų127127 Ų12783%0.82582%0.818SS**  cis-112.4-1705.939.1-22.7000111.6
477A24.8Very low28.1Very low95 Ų95129.3 Ų129.379%0.78582%0.823SS**  cis-150.2-173.422.400000115.1
478L26.5Very low27.8Very low184 Ų184129.5 Ų129.596%0.96382%0.824SS**  trans-90.4146.9-167.2-53.7168.3000112.3
479G28.2Very low28.1Very low81 Ų81129.3 Ų129.384%0.83582%0.82SS**  trans-168.7112.3177.600000114.4
480A27.3Very low28Very low94 Ų94125.7 Ų125.778%0.77782%0.818SS**  trans-66.3153.4-163.800000119.4
481V26.6Very low27.8Very low129 Ų129125.9 Ų125.978%0.78282%0.816SS**  trans60.7106.5136.6178.40000121.2
482V27.6Very low27.9Very low121 Ų121126.9 Ų126.973%0.73382%0.818SS**  trans13.8117.5133.2-153.70000119.6
483L25.9Very low28.1Very low167 Ų167126.8 Ų126.887%0.87482%0.817SS**  177.4158.6111.9-93.5172.4000112.4
484R25.2Very low28.2Very low232 Ų232126.5 Ų126.588%0.87582%0.815SS**  trans-87.7155.6171.8-70.4176.1170.9154.4-5.2110.5
485P27.7Very low28.2Very low136 Ų136126.8 Ų126.888%0.88382%0.817SS**  -130.4-175.8101.67.614.6000114.2
486S23.9Very low28.6Very low103 Ų103124.1 Ų124.172%0.7281%0.808SS**  trans-130.8153.7175.8176.40000109.4
487L25.7Very low28.2Very low168 Ų168123.5 Ų123.588%0.8881%0.806SS**  165.1155.2126.9-85.6164.7000113.6
488S26.4Very low28.5Very low108 Ų108125 Ų12576%0.75581%0.806SS**  trans-89172.9174.7-33.90000111.9
489P36.8Very low28.6Very low120 Ų120121.7 Ų121.778%0.77979%0.794SS**  -134.2172.363.817.68.5000113.8
490A29.3Very low28.6Very low87 Ų87123 Ų12372%0.71979%0.786SS**  cis74.3146.343.800000114.3
491V28.1Very low28.7Very low141 Ų141128 Ų12886%0.85579%0.79SS**  cis-129.8-13319.3-700000115.4
492S30.2Very low29.1Very low111 Ų111126.1 Ų126.178%0.77679%0.787SS**  trans-156.8175.7-146.3-46.90000117
493A32.5Very low29Very low103 Ų103126.9 Ų126.985%0.85179%0.793SS**  trans93.6160.715900000118
494A30.9Very low29.5Very low94 Ų94124.9 Ų124.978%0.77779%0.787SS**  cis-154.8178.717.100000116.9
495T27.5Very low29.8Very low145 Ų145121.3 Ų121.389%0.8978%0.784SS**  trans-34.3156.2167.1-39.20000117.7
496G31.6Very low29.6Very low61 Ų61120.5 Ų120.563%0.62978%0.776SS**  cis144168.4-3.500000113.2
497S30.7Very low29.7Very low113 Ų113123.3 Ų123.379%0.7978%0.782SS**  trans144.2146.5148.468.30000119.4
498T29.3Very low29.8Very low126 Ų126120.7 Ų120.777%0.77378%0.778SS**  trans68.5123.1159.971.80000123
499T28.7Very low29.8Very low116 Ų116124.3 Ų124.371%0.71278%0.783SS**  155.6117.1108.9-67.50000116.3
500T28.1Very low29.3Very low109 Ų109128.7 Ų128.767%0.66979%0.79SS**  trans60.8124.5157.755.40000126.3
501K29.5Very low29.3Very low199 Ų199129.1 Ų129.187%0.86579%0.794SS**  trans65.2151.5130.6-63.1173.6-177.9179.40121.1
502A35.2Very low29.2Very low88 Ų88129.5 Ų129.573%0.72779%0.791SS**  cis-175.9149.1-26.400000110.9
503T26.9Very low29.1Very low138 Ų138128.7 Ų128.785%0.84779%0.785SS**  trans166.7154133.9-69.70000112
504V34.6Very low28.9Very low124 Ų124132.9 Ų132.975%0.75278%0.784SS**  trans-97.6-176.9-171.1-63.40000112.4
505I31.5Very low29.3Very low158 Ų158134.3 Ų134.381%0.8179%0.785SS**  -117.6-150.450.5-29.8-176.5000112.4
506T25.1Very low29.2Very low119 Ų119130.4 Ų130.473%0.7377%0.774SS**  trans-169159.4-174.1-71.30000109.6
507L25.9Very low29.1Very low161 Ų161135.3 Ų135.384%0.84379%0.785SS**  trans161.1149.6150.8-103.583.1000109.2
508S27.5Very low29Very low113 Ų113136.5 Ų136.579%0.7979%0.787SS**  cis-161.9-162.8-25.461.30000111.2
509Q27Very low29.1Very low185 Ų185135.8 Ų135.886%0.86478%0.783SS**  trans-152.1151.4-135.9-178.1-169.577.100113.7
510K25.5Very low29.1Very low211 Ų211136.2 Ų136.292%0.91779%0.785SS**  trans-164.2160.7162-115.6170.6-175.9176.60112.1
511A28.6Very low29.3Very low97 Ų97139.3 Ų139.380%0.80279%0.792SS**  trans-163.7-176.4-179.100000112.8
512N26.5Very low29.5Very low148 Ų148138.5 Ų138.579%0.79179%0.792SS**  trans75.3152.8172.4-126.211.3000115
513S28Very low29.1Very low94 Ų94143.2 Ų143.266%0.65780%0.799SS**  cis-153.1150.613.7-41.20000114.5
514K27.6Very low30Very low191 Ų191142.2 Ų142.283%0.8379%0.794SS**  trans18.4166.4135.1-76.9-177.1179.5-178.80123.1
515P40.2Very low29.7Very low124 Ų124142.8 Ų142.881%0.80580%0.798SS**  cis-143.2-178.3-24.539-20.3000116.3
516G25.9Very low29.5Very low64 Ų64144.9 Ų144.966%0.6680%0.796SS**  trans137.494.6132.200000123
517L29.1Very low30.6Very low163 Ų163144.2 Ų144.285%0.85379%0.793SS**  trans59.9166149.4-66.9119.3000118.8
518V29.5Very low30.7Very low138 Ų138142.9 Ų142.984%0.83678%0.783SS**  cis-134.2153.721.9177.20000113.7
519V30.4Very low30.7Very low112 Ų112144 Ų14468%0.67978%0.784SS**  trans-68.6164.9-170.9172.60000115.6
520T29.6Very low30.7Very low124 Ų124140.8 Ų140.876%0.76178%0.777SS**  -173.3152.8-56580000107.9
521Q31.5Very low30.8Very low175 Ų175137.3 Ų137.382%0.81877%0.768SS**  trans-149.2102.4165.9-167.816296.300117.4
522Q32.9Very low30.9Very low182 Ų182137 Ų13785%0.8577%0.765SS**  trans63.4146.6134.8-63.2172.3-3.700124.4
523Q28.5Very low31.1Very low187 Ų187138.5 Ų138.587%0.87477%0.768SS**  trans-89.4176.6-176-91.1171.9-29.400112.7
524P45.1Very low30.9Very low116 Ų116139.2 Ų139.275%0.75377%0.772SS**  cis-124.6-15531.119.79000114.1
525V27.8Very low32Very low136 Ų136135.5 Ų135.582%0.82477%0.768SS**  cis-149.1-149.120.8-1460000113.8
526R28.1Very low31.5Very low203 Ų203137.2 Ų137.277%0.76677%0.77SS**  trans-161179.3-172.8-109-178.3102163.37.8109.2
527P47.4Very low31.8Very low104 Ų104140.5 Ų140.568%0.67578%0.776SS**  cis-127.7-1612.243.3-25.7000112.9
528Q27.4Very low31.7Very low134 Ų134138.9 Ų138.963%0.62677%0.774SS**  cis-130.2-126.4-10.5-153.673.1-82.700109.8
529V28.3Very low31.6Very low137 Ų137138.6 Ų138.683%0.8377%0.772SS**  cis-146.9177-482.40000109.1
530T27.6Very low31.4Very low116 Ų116145.1 Ų145.171%0.71278%0.784SS**  trans-144.8162.3-161.4-8.70000116.8
531L27.7Very low31.3Very low139 Ų139142.7 Ų142.773%0.72878%0.784SS**  trans74.3138.8167-95.456.8000118.4
532A29.1Very low31Very low90 Ų90139.7 Ų139.774%0.74479%0.789SS**  cis99.3144-1.900000120.6
533Q31.7Very low30.9Very low180 Ų180135.4 Ų135.484%0.84179%0.785SS**  trans115.6166.6163.5-60.7-168.261.200119.4
534S24.4Very low31.6Very low108 Ų108131.8 Ų131.876%0.75578%0.777SS**  trans-131.2-148.8-146.446.90000114.5
535P49.2Very low31Very low113 Ų113131.8 Ų131.873%0.73478%0.781SS**  -124.2-156.5-84.339.9-21.8000114.6
536L29.8Very low31Very low161 Ų161135.5 Ų135.584%0.84378%0.78SS**  trans112.6151.2144.6-160.566.6000120.9
537V32.2Very low31.3Very low132 Ų132132.2 Ų132.280%0.878%0.776SS**  trans92.9148.4155.6110.30000119.8
538T28.5Very low30.4Very low130 Ų130134.3 Ų134.380%0.79878%0.78SS**  trans-175.9172.1-171.9-89.30000112.6
539V27.6Very low30.5Very low131 Ų131134.3 Ų134.379%0.79479%0.789SS**  trans103.1152.1157.3126.80000120.8
540R25.4Very low30.5Very low249 Ų249131.1 Ų131.194%0.9478%0.783SS**  trans75.8142.2177.5-86.2171.6172.7173.4-2.6117.2
541G26.5Very low30.6Very low74 Ų74134.7 Ų134.776%0.76379%0.792SS**  cis-151.6-155.5-0.400000111.1
542A25.8Very low31.4Very low111 Ų111133.6 Ų133.692%0.91779%0.793SS**  cis-153.3-120.20.100000112.9
543A30.6Very low31.2Very low93 Ų93138.2 Ų138.277%0.76980%0.799SS**  trans-159.5-179.7-173.600000110
544P43.1Very low30.9Very low110 Ų110138.6 Ų138.671%0.71480%0.803SS**  cis-146.6166.91244-24.3000120.3
545S32.4Very low30.9Very low117 Ų117139.4 Ų139.482%0.81880%0.804SS**  trans66.7154.1148.5-63.40000120.2
546R28.1Very low29.8Very low213 Ų213144.3 Ų144.380%0.80481%0.808SS**  cis-157.5139.510.5-152.5-175.3168.8-179.7-7.1112.8
547I34.4Very low29.5Very low135 Ų135144.4 Ų144.469%0.69280%0.803SS**  trans67.9145.5148.6-87.1174.8000118.3
548I28.6Very low29.3Very low148 Ų148145.5 Ų145.576%0.75980%0.803SS**  cis-142.81666.5-137.3167.6000114.6
549V30.4Very low30.2Very low134 Ų134144.4 Ų144.481%0.81280%0.798SS**  trans-37.8152.9170.6-179.60000117.5
550G28.1Very low30.1Very low69 Ų69147.7 Ų147.771%0.71181%0.805SS**  cis150.6168.8-11.100000117.6
551Q29.7Very low30.1Very low192 Ų192139.1 Ų139.190%0.89779%0.794SS**  trans85.5159.7156-101.8-168.319.300121.4
552P43.2Very low30.3Very low116 Ų116140.9 Ų140.975%0.75379%0.794SS**  -134.3-162.2-93.946-28.9000117.5
553Q25.5Very low30.3Very low187 Ų187141.6 Ų141.687%0.87479%0.787SS**  trans-68.5162.1-176.9-48.8172.9-7.400115.9
554M25.9Very low30.2Very low187 Ų187142.9 Ų142.992%0.92179%0.785SS**  -176.7164.8105.9-163.3159.7-172.800113.9
555V24.9Very low29.4Very low126 Ų126145.8 Ų145.876%0.76479%0.786SS**  trans-87.1141.4-177.5173.60000114
556R25Very low29.3Very low216 Ų216147.3 Ų147.382%0.81578%0.781SS**  trans-173.7132.9137.5-114.4-172.4165.11441.4118.8
557H24Very low29.1Very low163 Ų163143.9 Ų143.976%0.75578%0.778SS**  trans62.2165.5139.4-84.5-131000123.6
558I27.8Very low28.8Very low155 Ų155142.8 Ų142.880%0.79578%0.778SS**  trans-126.9176.7-1715.5173.1000108.6
559P47.5Very low28.7Very low107 Ų107140 Ų14070%0.69578%0.777SS**  cis-138.2-155.4-3.437.3-13.3000115.3
560Q24.5Very low29.2Very low200 Ų200139.6 Ų139.694%0.93578%0.777SS**  trans82.6154.6174.6-54.7-175.9-13.200116.5
561G26.1Very low29.2Very low68 Ų68139.5 Ų139.570%0.70178%0.776SS**  cis167.5171.6-6.500000113.5
562S30.9Very low29.5Very low111 Ų111136.2 Ų136.278%0.77677%0.769SS**  trans73.6134.6177.8-157.40000116.1
563V26.8Very low28.9Very low126 Ų126142.5 Ų142.576%0.76478%0.778SS**  cis72.1122.843.3-174.50000111.6
564V27.5Very low29.1Very low120 Ų120136.9 Ų136.973%0.72777%0.77SS**  -155.2138.182.6-172.70000109
565K26.6Very low29.2Very low172 Ų172134.4 Ų134.475%0.74877%0.765SS**  53.1163.278.2-123.7-169.5176-163.10113.3
566Q30.8Very low29.3Very low149 Ų149137.3 Ų137.370%0.69677%0.771SS**  cis-174.9152.410.1-175.8174.3-97.500106
567N23.6Very low29.5Very low140 Ų140134.5 Ų134.575%0.74977%0.771SS**  cis-174-173.2-18.9179.931.5000107.3
568V27.4Very low29.6Very low113 Ų113134.4 Ų134.469%0.68578%0.775SS**  trans80.9126.6166.8-164.10000113.4
569A27.3Very low29.6Very low90 Ų90133.7 Ų133.774%0.74477%0.773SS**  cis81.5167.93600000113.8
570P40.5Very low28.8Very low124 Ų124136.6 Ų136.681%0.80578%0.777SS**  cis-134.8171-2.442.4-26.1000117.1
571G28.7Very low29Very low68 Ų68131.3 Ų131.370%0.70177%0.768SS**  trans98.8157.3147.900000119.1
572T34.9Very low29.2Very low122 Ų122133.1 Ų133.175%0.74877%0.77SS**  cis-158.5117.2-3.9-52.60000114.2
573R30.7Very low29.1Very low248 Ų248135 Ų13594%0.93677%0.77SS**  trans58.6156.3149.7-60.8174.6-169.3-1633.3122.7
574G29.5Very low29.4Very low69 Ų69134.9 Ų134.971%0.71177%0.77SS**  trans100.5114.8168.100000113.4
575V28.3Very low29.6Very low135 Ų135136.6 Ų136.682%0.81878%0.775SS**  cis7975.19-164.30000117
576Q28.1Very low30.1Very low188 Ų188132.4 Ų132.488%0.87977%0.772SS**  trans179.1143.4141.2-93.3143.15.300107.6
577L28Very low30.2Very low157 Ų157134.1 Ų134.182%0.82278%0.78SS**  cis95.565.827.8-163.793.7000115.3
578L26.6Very low30.7Very low161 Ų161137.1 Ų137.184%0.84378%0.781SS**  trans-165.5133.8147.6-126.862.3000104.8
579N27.6Very low31Very low139 Ų139139.4 Ų139.474%0.74379%0.789SS**  cis71.6129.941.2-159.623.9000114.7
580Q29.8Very low31.7Very low168 Ų168143.3 Ų143.379%0.78579%0.789SS**  trans87.785.6164.7-150.2153.8108.100121.1
581A29.4Very low31.4Very low90 Ų90145.8 Ų145.874%0.74480%0.795SS**  63.4132.7120.500000124.8
582S30.2Very low31.8Very low106 Ų106151 Ų15174%0.74180%0.798SS**  trans89129.1132.6-104.70000123
583L29.8Very low31.7Very low151 Ų151152.7 Ų152.779%0.79180%0.798SS**  trans64.4133.7157.6-45.8-179000116.1
584V32.4Very low31.9Very low123 Ų123144.9 Ų144.975%0.74579%0.786SS**  cis63.1116.845.1-1710000110
585D30.8Very low32.1Very low156 Ų156145.5 Ų145.583%0.83479%0.792SS**  cis-145.7-170.430.2-143.9-45.1000112.7
586A37.2Very low32.4Very low84 Ų84142.9 Ų142.969%0.69479%0.793SS**  trans-94.3152.6-164.100000117.7
587Q32.5Very low33.1Very low184 Ų184137.6 Ų137.686%0.8679%0.789SS**  trans-132.6110.6150.3-96.3-172.4-145.400109.2
588R35.6Very low34.1Very low204 Ų204136.2 Ų136.277%0.7779%0.787SS**  82102.668.9-177.2-169.4-178172.73.5112.7
589N33.3Very low35.1Very low160 Ų160138 Ų13886%0.85679%0.788SS**  -147.7162.9126.1-131.8-23000112.3
590K42Very low36.4Very low173 Ų173139.8 Ų139.875%0.75279%0.79SS**  trans-118.1135.8-177.1-66.4170.5173.8-75.30110
591L34.3Very low37.5Very low176 Ų176138.5 Ų138.592%0.92179%0.788SS**  -157159121.4-142.657000113.4
592K36.1Very low38.8Very low178 Ų178140.2 Ų140.277%0.77478%0.784SS**  trans-96.1150.4179177.5177.2175.5-177.10106.6
593E33.3Very low40.1Very low156 Ų156140.9 Ų140.973%0.72978%0.78SS**  cis-160.5172.233.5-130.3-92.310600111
594A34.8Very low41.6Very low85 Ų85137.4 Ų137.470%0.70276%0.762SS**  trans52.1129154.500000123.5
595G34.5Very low43.1Very low81 Ų81137.3 Ų137.384%0.83576%0.756SS**  116.576.9127.200000121.9
596G35.1Very low44.4Very low81 Ų81136.4 Ų136.484%0.83575%0.751SS**  trans71.5114136.200000121.8
597G42.4Very low46.2Very low76 Ų76135.1 Ų135.178%0.78473%0.733SS**  trans80.8161.7166.800000114.7
598T48.1Very low47.9Very low128 Ų128131.7 Ų131.779%0.78572%0.724SS**  cis-150.6-177.92.855.50000109.8
599F47.8Very low49.3Very low198 Ų198123.8 Ų123.887%0.86870%0.698SS**SBendtrans66.271.8163.4-89.4-87.8000118.9
600K54.3Low50.9Low178 Ų178118.6 Ų118.677%0.77468%0.675SS**  -17781.5121-104.8177.5166.8-80.40109.8
601D54.4Low52.2Low140 Ų140117.9 Ų117.975%0.74968%0.676SS**  trans-150.657.9-177.6-159.4-87.4000107
602D55.6Low53.8Low126 Ų126112.8 Ų112.867%0.67466%0.66SS**SBendtrans-144.6-13.7-171.1-156.626.7000112.6
603D58.4Low55.2Low121 Ų121107.7 Ų107.765%0.64766%0.657SS**SBendtrans-77.9-34.8163.6-71-65000110.5I605 N606 D607D603-I605 PolarHBondContact O-N 2.9Å; D603-N606 PolarHBondContact O-N 3.15Å; D603-D607 PolarHBondContact O-N 3.25Å
604D61.4Low56.7Low77 Ų77102.7 Ų102.741%0.41264%0.637SS.*THydrogen-bonded Turntrans-70-25.2-174.9-62.7-87.6000115N606 S610D604-N606 VanDerWaalsContact C-N 3.26Å; D604-N606 PolarHBondContact O-N 3.07Å; D604-S610 PolarHBondContact OD1-OG 3.24Å
605I62.4Low58.7Low121 Ų121102.7 Ų102.762%0.62163%0.626SS**THydrogen-bonded Turntrans-73.8-17.5-177.4-159.564.3000113D603D603-I605 PolarHBondContact O-N 2.9Å
606N59.8Low60.6Low137 Ų137103.5 Ų103.573%0.73361%0.61SS**THydrogen-bonded Turntrans-115-13.1177.2-75.6-67.3000113.6D603 D604 V608D603-N606 PolarHBondContact O-N 3.15Å; D604-N606 VanDerWaalsContact C-N 3.26Å; D604-N606 PolarHBondContact O-N 3.07Å; N606-V608 PolarHBondContact O-N 3.44Å; N606-V608 VanDerWaalsContact O-N 3.09Å
607D73.9Confident62.3Low57 Ų57103.7 Ų103.731%0.30560%0.599SS.*  trans-76.499173.8-1703.8000111.2D603 T609 S610 M611D603-D607 PolarHBondContact O-N 3.25Å; D607-T609 PolarHBondContact O-N 3.4Å; D607-T609 WeakPolarHBondContact OD1-CA 3.48Å; D607-T609 WeakPolarHBondContact OD1-CB 3.39Å; D607-T609 PolarHBondContact OD1-N 2.89Å; D607-T609 PolarHBondContact OD1-OG1 2.84Å; D607-S610 WeakPolarHBondContact O-CA 3.48Å; D607-S610 WeakPolarHBondContact O-CB 3.49Å; D607-S610 PolarHBondContact O-N 2.93Å; D607-M611 PolarHBondContact O-N 2.85Å
608V68.2Low64Low113 Ų113104.5 Ų104.569%0.68558%0.582SS**Hα-helixtrans-53.1-22.1171.2-75.20000113.5N606 A612N606-V608 PolarHBondContact O-N 3.44Å; N606-V608 VanDerWaalsContact O-N 3.09Å; V608-A612 WeakPolarHBondContact O-CB 3.27Å; V608-A612 PolarHBondContact O-N 3.42Å; V608-A612 VanDerWaalsContact O-N 3.08Å
609T65.6Low65.2Low37 Ų37103 Ų10323%0.22757%0.566CS.*Hα-helixtrans-76.1-39.7175.9-250000111.2D607 A612 G613 V614 L616D607-T609 PolarHBondContact O-N 3.4Å; D607-T609 WeakPolarHBondContact OD1-CA 3.48Å; D607-T609 WeakPolarHBondContact OD1-CB 3.39Å; D607-T609 PolarHBondContact OD1-N 2.89Å; D607-T609 PolarHBondContact OD1-OG1 2.84Å; T609-A612 PolarHBondContact O-N 3.06Å; T609-G613 PolarHBondContact O-N 3.29Å; T609-V614 HydrophobicContact CG2-CB 3.82Å; T609-V614 HydrophobicContact CG2-CG1 3.87Å; T609-V614 PolarHBondContact O-N 3Å; T609-L616 HydrophobicContact CG2-CD1 3.94Å; T609-L616 HydrophobicContact CG2-CD2 3.85Å; T609-L616 HydrophobicContact CG2-CG 3.65Å
610S66.5Low66.2Low51 Ų5197.9 Ų97.936%0.35755%0.548SS..Hα-helixtrans-65.4-44.4170.8-160.80000111.1D604 D607 A612 G613D604-S610 PolarHBondContact OD1-OG 3.24Å; D607-S610 WeakPolarHBondContact O-CA 3.48Å; D607-S610 WeakPolarHBondContact O-CB 3.49Å; D607-S610 PolarHBondContact O-N 2.93Å; S610-A612 PolarHBondContact O-N 3.23Å; S610-G613 PolarHBondContact O-N 3.16Å
611M68.6Low67.3Low158 Ų15892 Ų9278%0.77853%0.533SS*.Hα-helixtrans-58.1-30.3171.2-87.3-165.16800114.1D607 G613D607-M611 PolarHBondContact O-N 2.85Å; M611-G613 VanDerWaalsContact C-N 3.26Å; M611-G613 PolarHBondContact O-N 3.34Å
612A68Low68.1Low70 Ų7091.7 Ų91.758%0.57952%0.521SS*.THydrogen-bonded Turntrans-80.5-3175.700000113.5V608 T609 S610 V614V608-A612 WeakPolarHBondContact O-CB 3.27Å; V608-A612 PolarHBondContact O-N 3.42Å; V608-A612 VanDerWaalsContact O-N 3.08Å; T609-A612 PolarHBondContact O-N 3.06Å; S610-A612 PolarHBondContact O-N 3.23Å; A612-V614 VanDerWaalsContact C-N 3.25Å; A612-V614 HydrophobicContact CB-CG2 4.08Å; A612-V614 PolarHBondContact O-N 3.29Å
613G65.6Low68.7Low70 Ų7090.1 Ų90.172%0.72251%0.512SS*.THydrogen-bonded Turntrans72.615.2-173.300000113.9T609 S610 M611T609-G613 PolarHBondContact O-N 3.29Å; S610-G613 PolarHBondContact O-N 3.16Å; M611-G613 VanDerWaalsContact C-N 3.26Å; M611-G613 PolarHBondContact O-N 3.34Å
614V65.4Low69.1Low52 Ų5290 Ų9032%0.31551%0.509SS..  trans-98.294.3-176.1179.40000108.9T609 A612 L616T609-V614 HydrophobicContact CG2-CB 3.82Å; T609-V614 HydrophobicContact CG2-CG1 3.87Å; T609-V614 PolarHBondContact O-N 3Å; A612-V614 VanDerWaalsContact C-N 3.25Å; A612-V614 HydrophobicContact CB-CG2 4.08Å; A612-V614 PolarHBondContact O-N 3.29Å; V614-L616 PolarHBondContact O-N 3.33Å
615N77.4Confident69.3Low85 Ų8589.2 Ų89.246%0.45551%0.513SS..  trans-71.399.4175.6-177-22.5000110.1S617 E618 E619N615-S617 PolarHBondContact O-N 3.16Å; N615-S617 VanDerWaalsContact O-N 3.16Å; N615-S617 WeakPolarHBondContact OD1-CB 3.36Å; N615-S617 PolarHBondContact OD1-N 3.2Å; N615-S617 PolarHBondContact OD1-OG 2.71Å; N615-E618 HydrophobicContact CB-CB 3.9Å; N615-E618 PolarHBondContact O-N 3.14Å; N615-E618 PolarHBondContact OD1-N 3.02Å; N615-E618 VanDerWaalsContact OD1-N 3.12Å; N615-E619 PolarHBondContact O-N 3.14Å
616L73.1Confident69.2Low98 Ų9887 Ų8751%0.51351%0.508SS..Hα-helixtrans-54.9-31.2178.7-75.8171.3000113.6T609 V614 N620T609-L616 HydrophobicContact CG2-CD1 3.94Å; T609-L616 HydrophobicContact CG2-CD2 3.85Å; T609-L616 HydrophobicContact CG2-CG 3.65Å; V614-L616 PolarHBondContact O-N 3.33Å; L616-N620 WeakPolarHBondContact O-CB 3.34Å; L616-N620 PolarHBondContact O-N 3.16Å
617S72.3Confident69Low85 Ų8583.1 Ų83.159%0.59449%0.491SS*.Hα-helixtrans-74.5-37.8177.175.50000112.1N615 A621N615-S617 PolarHBondContact O-N 3.16Å; N615-S617 VanDerWaalsContact O-N 3.16Å; N615-S617 WeakPolarHBondContact OD1-CB 3.36Å; N615-S617 PolarHBondContact OD1-N 3.2Å; N615-S617 PolarHBondContact OD1-OG 2.71Å; S617-A621 WeakPolarHBondContact O-CB 3.49Å; S617-A621 PolarHBondContact O-N 2.86Å
618E78Confident68.2Low93 Ų9384.2 Ų84.244%0.43550%0.504SS..Hα-helixtrans-72.7-39.5175.7-161.5-164.7-179.100111.3N615 A621 R622N615-E618 HydrophobicContact CB-CB 3.9Å; N615-E618 PolarHBondContact O-N 3.14Å; N615-E618 PolarHBondContact OD1-N 3.02Å; N615-E618 VanDerWaalsContact OD1-N 3.12Å; E618-A621 PolarHBondContact O-N 2.86Å; E618-R622 VanDerWaalsContact CD-CZ 3.41Å; E618-R622 VanDerWaalsContact CD-NH1 3.28Å; E618-R622 WeakPolarHBondContact O-CB 3.43Å; E618-R622 WeakPolarHBondContact O-CG 3.29Å; E618-R622 PolarHBondContact O-N 3.1Å; E618-R622 IonicContact OE1-CZ 2.71Å; E618-R622 VanDerWaalsContact OE1-CZ 3.26Å; E618-R622 IonicContact OE1-NH1 3.02Å; E618-R622 PolarHBondContact OE1-NH1 3.38Å; E618-R622 IonicContact OE1-NH2 3.83Å; E618-R622 PolarHBondContact OE1-NH2 3.26Å; E618-R622 VanDerWaalsContact OE1-NH2 3.16Å; E618-R622 IonicContact OE2-CZ 2.68Å; E618-R622 IonicContact OE2-NH1 3.22Å; E618-R622 IonicContact OE2-NH2 3.32Å; E618-R622 PolarHBondContact OE2-NH2 3.45Å
619E73.6Confident67.7Low95 Ų9585.5 Ų85.544%0.44450%0.502SS..Hα-helixtrans-72.3-40.2176.9-170.9154.8152.300111.9N615 A621 R622 I623N615-E619 PolarHBondContact O-N 3.14Å; E619-A621 VanDerWaalsContact C-N 3.31Å; E619-A621 PolarHBondContact O-N 3.14Å; E619-R622 CarbonylContact O-C 3.53Å; E619-R622 PolarHBondContact O-N 2.99Å; E619-R622 VanDerWaalsContact O-N 3.16Å; E619-I623 HydrophobicContact CG-CD1 4.03Å; E619-I623 HydrophobicContact CG-CG1 4.45Å; E619-I623 WeakPolarHBondContact O-CB 3.47Å; E619-I623 VanDerWaalsContact O-CG1 3.27Å; E619-I623 WeakPolarHBondContact O-CG1 3.3Å; E619-I623 PolarHBondContact O-N 3.25Å
620N68.7Low67Low91 Ų9189.3 Ų89.349%0.48752%0.521SS..Hα-helixtrans-62.7-38.2170.1-172.231.5000111.2L616 I623 M624L616-N620 WeakPolarHBondContact O-CB 3.34Å; L616-N620 PolarHBondContact O-N 3.16Å; N620-I623 PolarHBondContact O-N 3.43Å; N620-M624 WeakPolarHBondContact O-CB 3.4Å; N620-M624 WeakPolarHBondContact O-CG 3.15Å; N620-M624 PolarHBondContact O-N 3.47Å
621A75.6Confident66.4Low55 Ų5590.7 Ų90.746%0.45553%0.527SS..Hα-helixtrans-64-39.7171.800000112.4S617 E618 E619 M624 A625S617-A621 WeakPolarHBondContact O-CB 3.49Å; S617-A621 PolarHBondContact O-N 2.86Å; E618-A621 PolarHBondContact O-N 2.86Å; E619-A621 VanDerWaalsContact C-N 3.31Å; E619-A621 PolarHBondContact O-N 3.14Å; A621-M624 PolarHBondContact O-N 2.76Å; A621-A625 WeakPolarHBondContact O-CB 3.41Å; A621-A625 PolarHBondContact O-N 3.26Å
622R71.2Confident65.7Low133 Ų13384.2 Ų84.250%0.50250%0.5SS..Hα-helixtrans-65.8-38.2173-79.8-164.3-95.6-93.31112.3E618 E619 S626E618-R622 VanDerWaalsContact CD-CZ 3.41Å; E618-R622 VanDerWaalsContact CD-NH1 3.28Å; E618-R622 WeakPolarHBondContact O-CB 3.43Å; E618-R622 WeakPolarHBondContact O-CG 3.29Å; E618-R622 PolarHBondContact O-N 3.1Å; E618-R622 IonicContact OE1-CZ 2.71Å; E618-R622 VanDerWaalsContact OE1-CZ 3.26Å; E618-R622 IonicContact OE1-NH1 3.02Å; E618-R622 PolarHBondContact OE1-NH1 3.38Å; E618-R622 IonicContact OE1-NH2 3.83Å; E618-R622 PolarHBondContact OE1-NH2 3.26Å; E618-R622 VanDerWaalsContact OE1-NH2 3.16Å; E618-R622 IonicContact OE2-CZ 2.68Å; E618-R622 IonicContact OE2-NH1 3.22Å; E618-R622 IonicContact OE2-NH2 3.32Å; E618-R622 PolarHBondContact OE2-NH2 3.45Å; E619-R622 CarbonylContact O-C 3.53Å; E619-R622 PolarHBondContact O-N 2.99Å; E619-R622 VanDerWaalsContact O-N 3.16Å; R622-S626 VanDerWaalsContact O-CB 3.24Å; R622-S626 WeakPolarHBondContact O-CB 3.37Å; R622-S626 PolarHBondContact O-N 2.9Å; R622-S626 PolarHBondContact O-OG 2.91Å
623I68.1Low65.1Low94 Ų9485.9 Ų85.948%0.48250%0.498SS..Hα-helixtrans-67.5-45.6174.9-70.7165.1000110E619 N620 S627E619-I623 HydrophobicContact CG-CD1 4.03Å; E619-I623 HydrophobicContact CG-CG1 4.45Å; E619-I623 WeakPolarHBondContact O-CB 3.47Å; E619-I623 VanDerWaalsContact O-CG1 3.27Å; E619-I623 WeakPolarHBondContact O-CG1 3.3Å; E619-I623 PolarHBondContact O-N 3.25Å; N620-I623 PolarHBondContact O-N 3.43Å; I623-S627 WeakPolarHBondContact O-CB 3.39Å; I623-S627 PolarHBondContact O-N 3.45Å; I623-S627 PolarHBondContact O-OG 3.34Å
624M67.6Low64.1Low119 Ų11987.9 Ų87.959%0.58650%0.496SS*.Hα-helixtrans-65.5-36.7175.5-72.4-171.47300112.1N620 A621 S627 S628N620-M624 WeakPolarHBondContact O-CB 3.4Å; N620-M624 WeakPolarHBondContact O-CG 3.15Å; N620-M624 PolarHBondContact O-N 3.47Å; A621-M624 PolarHBondContact O-N 2.76Å; M624-S627 WeakPolarHBondContact CA-OG 3.38Å; M624-S627 PolarHBondContact O-OG 2.98Å; M624-S628 WeakPolarHBondContact O-CA 3.38Å; M624-S628 WeakPolarHBondContact O-CB 3.31Å; M624-S628 PolarHBondContact O-N 3.21Å
625A64.8Low63.2Low60 Ų6090 Ų9050%0.49651%0.509SS..Hα-helixtrans-69.4-47.9174.700000112.2A621 S628 E629A621-A625 WeakPolarHBondContact O-CB 3.41Å; A621-A625 PolarHBondContact O-N 3.26Å; A625-S628 CarbonylContact O-C 3.58Å; A625-S628 PolarHBondContact O-N 3.01Å; A625-E629 PolarHBondContact O-N 3.2Å
626S61.5Low61.9Low75 Ų7595.7 Ų95.752%0.52452%0.524SS..Hα-helixtrans-68.6-37.4-179.6-52.10000112R622 E629 L630R622-S626 VanDerWaalsContact O-CB 3.24Å; R622-S626 WeakPolarHBondContact O-CB 3.37Å; R622-S626 PolarHBondContact O-N 2.9Å; R622-S626 PolarHBondContact O-OG 2.91Å; S626-E629 PolarHBondContact O-N 3.4Å; S626-L630 PolarHBondContact O-N 2.77Å
627S54.9Low60.9Low54 Ų5495.5 Ų95.538%0.37853%0.531SS..Hα-helixtrans-71.4-33.4170.663.90000111.7I623 M624 E629 L630 V631I623-S627 WeakPolarHBondContact O-CB 3.39Å; I623-S627 PolarHBondContact O-N 3.45Å; I623-S627 PolarHBondContact O-OG 3.34Å; M624-S627 WeakPolarHBondContact CA-OG 3.38Å; M624-S627 PolarHBondContact O-OG 2.98Å; S627-E629 VanDerWaalsContact C-N 3.34Å; S627-L630 PolarHBondContact O-N 2.92Å; S627-V631 WeakPolarHBondContact O-CA 3.45Å; S627-V631 WeakPolarHBondContact O-CB 3.23Å; S627-V631 WeakPolarHBondContact O-CG2 3.44Å; S627-V631 PolarHBondContact O-N 3.23Å
628S57.8Low59.9Low81 Ų8197.2 Ų97.257%0.56654%0.542SS*.Hα-helixtrans-70.6-26.6171.8-171.70000112.9M624 A625 G632M624-S628 WeakPolarHBondContact O-CA 3.38Å; M624-S628 WeakPolarHBondContact O-CB 3.31Å; M624-S628 PolarHBondContact O-N 3.21Å; A625-S628 CarbonylContact O-C 3.58Å; A625-S628 PolarHBondContact O-N 3.01Å; S628-G632 WeakPolarHBondContact O-CA 3.24Å; S628-G632 PolarHBondContact O-N 3.07Å
629E57.3Low58.8Low140 Ų140100.5 Ų100.565%0.65455%0.554SS**Hα-helixtrans-71-50.5168.7-173.7172.1-163.900110.8A625 S626 S627 G632 I633A625-E629 PolarHBondContact O-N 3.2Å; S626-E629 PolarHBondContact O-N 3.4Å; S627-E629 VanDerWaalsContact C-N 3.34Å; E629-G632 CarbonylContact O-C 3.56Å; E629-G632 PolarHBondContact O-N 2.98Å; E629-I633 HydrophobicContact CG-CD1 4.16Å; E629-I633 WeakPolarHBondContact O-CD1 3.5Å; E629-I633 VanDerWaalsContact O-CG1 3.26Å; E629-I633 WeakPolarHBondContact O-CG1 3.43Å; E629-I633 PolarHBondContact O-N 2.88Å
630L51.6Low58.6Low117 Ų117101.2 Ų101.261%0.61356%0.561SS**Hα-helixtrans-67.4-47.4-179.7-17661.5000112.7S626 S627 G632 I633 V634S626-L630 PolarHBondContact O-N 2.77Å; S627-L630 PolarHBondContact O-N 2.92Å; L630-G632 VanDerWaalsContact C-N 3.28Å; L630-G632 PolarHBondContact O-N 3.18Å; L630-I633 PolarHBondContact O-N 3.27Å; L630-V634 WeakPolarHBondContact O-CG2 3.49Å; L630-V634 PolarHBondContact O-N 2.87Å
631V53Low59Low80 Ų80102.6 Ų102.649%0.48557%0.565SS.*Hα-helixtrans-65-34.1171.11770000109.7S627 I633 V634 T635S627-V631 WeakPolarHBondContact O-CA 3.45Å; S627-V631 WeakPolarHBondContact O-CB 3.23Å; S627-V631 WeakPolarHBondContact O-CG2 3.44Å; S627-V631 PolarHBondContact O-N 3.23Å; V631-I633 VanDerWaalsContact C-N 3.3Å; V631-I633 PolarHBondContact O-N 3.43Å; V631-V634 CarbonylContact O-C 3.6Å; V631-V634 PolarHBondContact O-N 3.15Å; V631-T635 HydrophobicContact CG1-CG2 3.72Å; V631-T635 WeakPolarHBondContact O-CA 3.43Å; V631-T635 VanDerWaalsContact O-CB 3.26Å; V631-T635 WeakPolarHBondContact O-CB 3.42Å; V631-T635 WeakPolarHBondContact O-CG2 3.49Å; V631-T635 PolarHBondContact O-N 3.16Å; V631-T635 PolarHBondContact O-OG1 2.9Å
632G53.3Low59.3Low21 Ų21101.3 Ų101.322%0.21655%0.554CS.*Hα-helixtrans-68.4-24.5173.500000114.1S628 E629 L630 R636S628-G632 WeakPolarHBondContact O-CA 3.24Å; S628-G632 PolarHBondContact O-N 3.07Å; E629-G632 CarbonylContact O-C 3.56Å; E629-G632 PolarHBondContact O-N 2.98Å; L630-G632 VanDerWaalsContact C-N 3.28Å; L630-G632 PolarHBondContact O-N 3.18Å; G632-R636 WeakPolarHBondContact O-CB 3.39Å; G632-R636 VanDerWaalsContact O-CD 3.28Å; G632-R636 WeakPolarHBondContact O-CD 3.24Å; G632-R636 WeakPolarHBondContact O-CG 3.44Å; G632-R636 PolarHBondContact O-N 3.14Å
633I55.4Low60.3Low106 Ų106100.2 Ų100.254%0.54455%0.553SS.*Hα-helixtrans-78.5-36.2169.3-69.9160.2000110.7E629 L630 V631E629-I633 HydrophobicContact CG-CD1 4.16Å; E629-I633 WeakPolarHBondContact O-CD1 3.5Å; E629-I633 VanDerWaalsContact O-CG1 3.26Å; E629-I633 WeakPolarHBondContact O-CG1 3.43Å; E629-I633 PolarHBondContact O-N 2.88Å; L630-I633 PolarHBondContact O-N 3.27Å; V631-I633 VanDerWaalsContact C-N 3.3Å; V631-I633 PolarHBondContact O-N 3.43Å
634V46.3Very low61.4Low112 Ų11298.2 Ų98.268%0.67954%0.543SS*.Hα-helixtrans-79-29.9177.6173.20000113L630 V631L630-V634 WeakPolarHBondContact O-CG2 3.49Å; L630-V634 PolarHBondContact O-N 2.87Å; V631-V634 CarbonylContact O-C 3.6Å; V631-V634 PolarHBondContact O-N 3.15Å
635T46.3Very low62.6Low95 Ų9596.1 Ų96.158%0.58354%0.54SS*.SBendtrans-102.42.1178.6630000113.4V631 S637V631-T635 HydrophobicContact CG1-CG2 3.72Å; V631-T635 WeakPolarHBondContact O-CA 3.43Å; V631-T635 VanDerWaalsContact O-CB 3.26Å; V631-T635 WeakPolarHBondContact O-CB 3.42Å; V631-T635 WeakPolarHBondContact O-CG2 3.49Å; V631-T635 PolarHBondContact O-N 3.16Å; V631-T635 PolarHBondContact O-OG1 2.9Å; T635-S637 PolarHBondContact O-N 2.79Å
636R48.7Very low63.9Low206 Ų20696.1 Ų96.178%0.77753%0.531SS*.SBendtrans-65.569.6138-79.5165.5-162.2-82.20.9107.8G632G632-R636 WeakPolarHBondContact O-CB 3.39Å; G632-R636 VanDerWaalsContact O-CD 3.28Å; G632-R636 WeakPolarHBondContact O-CD 3.24Å; G632-R636 WeakPolarHBondContact O-CG 3.44Å; G632-R636 PolarHBondContact O-N 3.14Å
637S52.9Low65.3Low93 Ų9396.5 Ų96.565%0.6553%0.534SS*.  trans-35.7136.9175.1178.40000109.4T635 K639T635-S637 PolarHBondContact O-N 2.79Å; S637-K639 PolarHBondContact O-N 3.07Å
638C51.3Low67.1Low121 Ų12196.1 Ų96.182%0.81853%0.531SS*.  trans-41.2115.1173.7-58.20000108.6D640C638-D640 PolarHBondContact O-N 3.31Å
639K55.4Low68.8Low162 Ų16293.6 Ų93.670%0.70451%0.511SS*.  trans-57.3138.9167.8-73.2-170.7179.2-173.50106.9S637 E641S637-K639 PolarHBondContact O-N 3.07Å; K639-E641 HydrophobicContact CB-CG 3.64Å; K639-E641 HydrophobicContact CD-CG 4.33Å; K639-E641 WeakPolarHBondContact CD-OE1 3.49Å; K639-E641 IonicContact NZ-OE1 3.51Å; K639-E641 PolarHBondContact NZ-OE1 2.83Å; K639-E641 PolarHBondContact O-N 3.28Å
640D67.8Low70.5Confident110 Ų11088.7 Ų88.759%0.58849%0.491SS*.  trans-75.758.2178.4-155.760.1000110.3C638 A642 N671 H675C638-D640 PolarHBondContact O-N 3.31Å; D640-A642 PolarHBondContact O-N 2.99Å; D640-N671 PolarHBondContact O-ND2 2.85Å; D640-N671 PolarHBondContact OD2-ND2 2.8Å; D640-H675 IonicContact OD1-CD2 3.87Å
641E78.2Confident72.5Confident121 Ų12191.2 Ų91.257%0.56549%0.492SS*.  trans-77.6109.7-179.5-60.3-74.5177.200107.9K639 F643 H675K639-E641 HydrophobicContact CB-CG 3.64Å; K639-E641 HydrophobicContact CD-CG 4.33Å; K639-E641 WeakPolarHBondContact CD-OE1 3.49Å; K639-E641 IonicContact NZ-OE1 3.51Å; K639-E641 PolarHBondContact NZ-OE1 2.83Å; K639-E641 PolarHBondContact O-N 3.28Å; E641-F643 PolarHBondContact O-N 3.25Å; E641-F643 VanDerWaalsContact O-N 3.08Å; E641-H675 PolarHBondContact O-NE2 3.37Å
642A82.2Confident74.4Confident27 Ų2791.8 Ų91.822%0.22349%0.492CS..  trans-60.6115.7179.200000111.3D640 L644 I646D640-A642 PolarHBondContact O-N 2.99Å; A642-L644 PolarHBondContact O-N 3.24Å; A642-L644 VanDerWaalsContact O-N 3.16Å; A642-I646 HydrophobicContact CB-CD1 3.65Å; A642-I646 HydrophobicContact CB-CG1 3.39Å
643F90.8Very high76.4Confident111 Ų11192.8 Ų92.849%0.48749%0.493SS..SBendtrans-51.4-30.9171.3178.1-97.6000113.9E641 S674 Q678 L681E641-F643 PolarHBondContact O-N 3.25Å; E641-F643 VanDerWaalsContact O-N 3.08Å; F643-S674 PolarHBondContact N-OG 3.04Å; F643-Q678 HydrophobicContact CB-CB 3.94Å; F643-Q678 HydrophobicContact CB-CG 4.25Å; F643-Q678 HydrophobicContact CD1-CB 4Å; F643-Q678 HydrophobicContact CD2-CB 4.26Å; F643-Q678 HydrophobicContact CD2-CG 3.94Å; F643-Q678 HydrophobicContact CE2-CG 4.47Å; F643-Q678 HydrophobicContact CG-CB 3.79Å; F643-Q678 HydrophobicContact CG-CG 3.99Å; F643-L681 HydrophobicContact CE1-CD1 3.5Å; F643-L681 HydrophobicContact CZ-CD1 3.78Å
644L92.8Very high78.2Confident51 Ų5189.6 Ų89.627%0.26748%0.477SS..SBendtrans-102.5152.1174.8-58.5-176.9000112.1A642 I646 L649 S674 T677A642-L644 PolarHBondContact O-N 3.24Å; A642-L644 VanDerWaalsContact O-N 3.16Å; L644-I646 PolarHBondContact O-N 2.85Å; L644-L649 HydrophobicContact CB-CD2 4.33Å; L644-L649 HydrophobicContact CD1-CD2 4.01Å; L644-S674 PolarHBondContact N-OG 2.88Å; L644-T677 HydrophobicContact CD1-CG2 4.08Å; L644-T677 HydrophobicContact CD2-CG2 4.4Å
645S92.5Very high80.5Confident75 Ų7591.1 Ų91.152%0.52448%0.477SS..  trans-6296.9171.6177.40000111.1S647 S648 L649S645-S647 VanDerWaalsContact C-N 3.34Å; S645-S647 PolarHBondContact O-N 2.93Å; S645-S648 WeakPolarHBondContact O-CB 3.45Å; S645-S648 PolarHBondContact O-N 3.2Å; S645-S648 PolarHBondContact OG-OG 2.89Å; S645-L649 PolarHBondContact O-N 3.43Å
646I91.4Very high82.8Confident60 Ų6091.1 Ų91.131%0.30847%0.473SS..Hα-helixtrans-47.4-56.5-179.9-53.4174.1000109.9A642 L644 S648 L649 T650 I670 N671A642-I646 HydrophobicContact CB-CD1 3.65Å; A642-I646 HydrophobicContact CB-CG1 3.39Å; L644-I646 PolarHBondContact O-N 2.85Å; I646-S648 PolarHBondContact O-N 3.43Å; I646-L649 CarbonylContact O-C 3.53Å; I646-L649 PolarHBondContact O-N 2.89Å; I646-T650 WeakPolarHBondContact O-CB 3.37Å; I646-T650 PolarHBondContact O-N 3.26Å; I646-T650 PolarHBondContact O-OG1 3.48Å; I646-I670 HydrophobicContact CG2-CG2 3.93Å; I646-N671 WeakPolarHBondContact CD1-OD1 2.81Å
647S91.2Very high84.9Confident83 Ų8381.9 Ų81.958%0.5844%0.441SS*.Hα-helixtrans-60.4-16.2-177-330000115S645 R651S645-S647 VanDerWaalsContact C-N 3.34Å; S645-S647 PolarHBondContact O-N 2.93Å; S647-R651 PolarHBondContact O-NE 3.11Å; S647-R651 PolarHBondContact O-NH2 3.32Å
648S93.6Very high86.9Confident46 Ų4683.8 Ų83.832%0.32244%0.438SS..Hα-helixtrans-94.6-43.9173.7-52.90000110.7S645 I646 R651 I652S645-S648 WeakPolarHBondContact O-CB 3.45Å; S645-S648 PolarHBondContact O-N 3.2Å; S645-S648 PolarHBondContact OG-OG 2.89Å; I646-S648 PolarHBondContact O-N 3.43Å; S648-R651 PolarHBondContact O-N 3.2Å; S648-I652 WeakPolarHBondContact O-CG1 3.43Å; S648-I652 PolarHBondContact O-N 3Å; S648-I652 VanDerWaalsContact O-N 3.07Å
649L93.1Very high89Confident29 Ų2986.5 Ų86.515%0.15244%0.436CS..Hα-helixtrans-61.2-47.4176.1-174.460.4000111.7L644 S645 I646 R651 I652 V653 I670 I673L644-L649 HydrophobicContact CB-CD2 4.33Å; L644-L649 HydrophobicContact CD1-CD2 4.01Å; S645-L649 PolarHBondContact O-N 3.43Å; I646-L649 CarbonylContact O-C 3.53Å; I646-L649 PolarHBondContact O-N 2.89Å; L649-R651 VanDerWaalsContact C-N 3.32Å; L649-R651 PolarHBondContact O-N 3.25Å; L649-I652 PolarHBondContact O-N 2.87Å; L649-V653 HydrophobicContact CD1-CG2 3.88Å; L649-V653 HydrophobicContact CG-CG2 4.23Å; L649-V653 WeakPolarHBondContact O-CB 3.17Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.33Å; L649-V653 PolarHBondContact O-N 2.81Å; L649-I670 HydrophobicContact CB-CG2 4.14Å; L649-I670 HydrophobicContact CD2-CG2 3.69Å; L649-I670 HydrophobicContact CG-CG2 3.9Å; L649-I673 HydrophobicContact CD1-CG2 4.41Å; L649-I673 HydrophobicContact CD2-CB 4.41Å; L649-I673 HydrophobicContact CD2-CG2 4.01Å
650T93.1Very high90.8Very high37 Ų3786.6 Ų86.623%0.22744%0.436CS..Hα-helixtrans-53.1-47.2174-50.50000111.6I646 L654 I670I646-T650 WeakPolarHBondContact O-CB 3.37Å; I646-T650 PolarHBondContact O-N 3.26Å; I646-T650 PolarHBondContact O-OG1 3.48Å; T650-L654 HydrophobicContact CG2-CD1 3.79Å; T650-L654 HydrophobicContact CG2-CG 4.32Å; T650-L654 VanDerWaalsContact O-CB 3.3Å; T650-L654 WeakPolarHBondContact O-CB 3.36Å; T650-L654 VanDerWaalsContact O-CG 3.27Å; T650-L654 WeakPolarHBondContact O-CG 3.39Å; T650-L654 PolarHBondContact O-N 2.78Å; T650-I670 HydrophobicContact CG2-CD1 3.76Å; T650-I670 VanDerWaalsContact OG1-CD1 3.29Å; T650-I670 WeakPolarHBondContact OG1-CD1 3.35Å
651R93.4Very high92.1Very high169 Ų16984.3 Ų84.364%0.63844%0.439SS*.Hα-helixtrans-65.3-43.8-179.3-79.2-175.3-73169.2-0.9111.9S647 S648 L649 Q655S647-R651 PolarHBondContact O-NE 3.11Å; S647-R651 PolarHBondContact O-NH2 3.32Å; S648-R651 PolarHBondContact O-N 3.2Å; L649-R651 VanDerWaalsContact C-N 3.32Å; L649-R651 PolarHBondContact O-N 3.25Å; R651-Q655 WeakPolarHBondContact O-CB 3.21Å; R651-Q655 PolarHBondContact O-N 3.47Å
652I93.6Very high92.7Very high93 Ų9382 Ų8248%0.47743%0.433SS..Hα-helixtrans-65.8-47.4177.9-66.7165.8000110.9S648 L649 Q655 I656S648-I652 WeakPolarHBondContact O-CG1 3.43Å; S648-I652 PolarHBondContact O-N 3Å; S648-I652 VanDerWaalsContact O-N 3.07Å; L649-I652 PolarHBondContact O-N 2.87Å; I652-Q655 PolarHBondContact O-N 2.66Å; I652-I656 HydrophobicContact CG2-CD1 3.82Å; I652-I656 WeakPolarHBondContact O-CG1 3.47Å; I652-I656 PolarHBondContact O-N 3.44Å
653V93.8Very high92.9Very high41 Ų4184.9 Ų84.925%0.24845%0.451CS..Hα-helixtrans-66.3-40.4-178175.50000111.4L649 G657 L665L649-V653 HydrophobicContact CD1-CG2 3.88Å; L649-V653 HydrophobicContact CG-CG2 4.23Å; L649-V653 WeakPolarHBondContact O-CB 3.17Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.33Å; L649-V653 PolarHBondContact O-N 2.81Å; V653-G657 WeakPolarHBondContact O-CA 3.49Å; V653-G657 PolarHBondContact O-N 3.38Å; V653-L665 HydrophobicContact CB-CD2 4.47Å; V653-L665 HydrophobicContact CG1-CD2 3.5Å
654L93.7Very high92.8Very high39 Ų3987.6 Ų87.620%0.20447%0.465CS..Hα-helixtrans-71.2-34.9173.5-67.2177.9000112.8T650 I656 G657 K658 L665T650-L654 HydrophobicContact CG2-CD1 3.79Å; T650-L654 HydrophobicContact CG2-CG 4.32Å; T650-L654 VanDerWaalsContact O-CB 3.3Å; T650-L654 WeakPolarHBondContact O-CB 3.36Å; T650-L654 VanDerWaalsContact O-CG 3.27Å; T650-L654 WeakPolarHBondContact O-CG 3.39Å; T650-L654 PolarHBondContact O-N 2.78Å; L654-I656 VanDerWaalsContact C-N 3.34Å; L654-G657 PolarHBondContact O-N 3.32Å; L654-K658 WeakPolarHBondContact O-CB 3.26Å; L654-K658 VanDerWaalsContact O-CG 3.25Å; L654-K658 WeakPolarHBondContact O-CG 3.41Å; L654-K658 PolarHBondContact O-N 2.9Å; L654-L665 HydrophobicContact CD2-CB 3.95Å
655Q94.4Very high92.5Very high145 Ų14587.5 Ų87.568%0.67847%0.465SS*.Hα-helixtrans-64.7-38.7175.6-179.3178.80.700111.8R651 I652R651-Q655 WeakPolarHBondContact O-CB 3.21Å; R651-Q655 PolarHBondContact O-N 3.47Å; I652-Q655 PolarHBondContact O-N 2.66Å
656I94.5Very high92.3Very high95 Ų9586 Ų8649%0.48746%0.462SS..Hα-helixtrans-72.4-50.2173-65.3168.2000109.7I652 L654 K658 K659 F660I652-I656 HydrophobicContact CG2-CD1 3.82Å; I652-I656 WeakPolarHBondContact O-CG1 3.47Å; I652-I656 PolarHBondContact O-N 3.44Å; L654-I656 VanDerWaalsContact C-N 3.34Å; I656-K658 VanDerWaalsContact C-N 3.31Å; I656-K658 PolarHBondContact O-N 2.93Å; I656-K659 VanDerWaalsContact O-CB 3.31Å; I656-K659 WeakPolarHBondContact O-CB 3.45Å; I656-K659 PolarHBondContact O-N 3.26Å; I656-F660 HydrophobicContact CG2-CD2 4.34Å; I656-F660 HydrophobicContact CG2-CE2 3.94Å; I656-F660 VanDerWaalsContact O-CD2 3.32Å; I656-F660 WeakPolarHBondContact O-CD2 3.31Å
657G93.9Very high92.2Very high11 Ų1187.6 Ų87.611%0.11347%0.474CS..Hα-helixtrans-56.2-39.2-176.800000113.8V653 L654 K659 F660 G661 V662V653-G657 WeakPolarHBondContact O-CA 3.49Å; V653-G657 PolarHBondContact O-N 3.38Å; L654-G657 PolarHBondContact O-N 3.32Å; G657-K659 PolarHBondContact O-N 3.38Å; G657-F660 CarbonylContact O-C 3.59Å; G657-F660 VanDerWaalsContact O-C 3.32Å; G657-F660 WeakPolarHBondContact O-CA 3.31Å; G657-F660 PolarHBondContact O-N 3.37Å; G657-G661 PolarHBondContact O-N 2.91Å; G657-G661 VanDerWaalsContact O-N 3.15Å; G657-V662 CarbonylContact C-O 3.32Å; G657-V662 PolarHBondContact O-N 2.94Å
658K95.1Very high92.1Very high133 Ų13389.7 Ų89.758%0.57848%0.479SS*.G310 helixtrans-59.9-27.3176.1-79.2176.6178.4-172.90113.5L654 I656 F660 G661 V662L654-K658 WeakPolarHBondContact O-CB 3.26Å; L654-K658 VanDerWaalsContact O-CG 3.25Å; L654-K658 WeakPolarHBondContact O-CG 3.41Å; L654-K658 PolarHBondContact O-N 2.9Å; I656-K658 VanDerWaalsContact C-N 3.31Å; I656-K658 PolarHBondContact O-N 2.93Å; K658-F660 PolarHBondContact O-N 2.94Å; K658-G661 PolarHBondContact O-N 3.21Å; K658-V662 WeakPolarHBondContact CA-O 3.49Å; K658-V662 PolarHBondContact N-O 3.44Å; K658-V662 VanDerWaalsContact N-O 3.11Å
659K94.8Very high92Very high179 Ų17990.9 Ų90.978%0.77848%0.484SS*.G310 helixtrans-70.4-14.6172.5-59.2-168.270.1-173.50113.6I656 G657I656-K659 VanDerWaalsContact O-CB 3.31Å; I656-K659 WeakPolarHBondContact O-CB 3.45Å; I656-K659 PolarHBondContact O-N 3.26Å; G657-K659 PolarHBondContact O-N 3.38Å
660F94.1Very high92Very high164 Ų16489.6 Ų89.672%0.71948%0.477SS*.G310 helixtrans-119.117.1179.3-55.6-79.2000112I656 G657 K658 V662I656-F660 HydrophobicContact CG2-CD2 4.34Å; I656-F660 HydrophobicContact CG2-CE2 3.94Å; I656-F660 VanDerWaalsContact O-CD2 3.32Å; I656-F660 WeakPolarHBondContact O-CD2 3.31Å; G657-F660 CarbonylContact O-C 3.59Å; G657-F660 VanDerWaalsContact O-C 3.32Å; G657-F660 WeakPolarHBondContact O-CA 3.31Å; G657-F660 PolarHBondContact O-N 3.37Å; K658-F660 PolarHBondContact O-N 2.94Å; F660-V662 VanDerWaalsContact C-N 3.34Å; F660-V662 PolarHBondContact O-N 3.13Å
661G93.5Very high92Very high62 Ų6288.9 Ų88.964%0.63947%0.472SS*.THydrogen-bonded Turntrans83-6.1178.800000116.3G657 K658 S663G657-G661 PolarHBondContact O-N 2.91Å; G657-G661 VanDerWaalsContact O-N 3.15Å; K658-G661 PolarHBondContact O-N 3.21Å; G661-S663 PolarHBondContact O-N 3.41Å
662V91.1Very high91.9Very high72 Ų7289.2 Ų89.244%0.43648%0.475SS..  trans-78.3104.9178.9-176.20000109.9G657 K658 F660 E664G657-V662 CarbonylContact C-O 3.32Å; G657-V662 PolarHBondContact O-N 2.94Å; K658-V662 WeakPolarHBondContact CA-O 3.49Å; K658-V662 PolarHBondContact N-O 3.44Å; K658-V662 VanDerWaalsContact N-O 3.11Å; F660-V662 VanDerWaalsContact C-N 3.34Å; F660-V662 PolarHBondContact O-N 3.13Å; V662-E664 WeakPolarHBondContact CG1-O 3.4Å
663S86.7Confident91.9Very high87 Ų8787.7 Ų87.761%0.60847%0.466SS*.  trans-93.4-23.6-173.7-65.10000114.6G661G661-S663 PolarHBondContact O-N 3.41Å
664E88.6Confident91.9Very high169 Ų16985.8 Ų85.879%0.7946%0.455SS*.  trans-141.5155.6-176.1-176.6168.7-167.800110.1V662V662-E664 WeakPolarHBondContact CG1-O 3.4Å
665L87.1Confident91.9Very high49 Ų4986.2 Ų86.226%0.25746%0.456SS..  trans-151.9128.2177-177.163.5000109.9V653 L654 V669 I670V653-L665 HydrophobicContact CB-CD2 4.47Å; V653-L665 HydrophobicContact CG1-CD2 3.5Å; L654-L665 HydrophobicContact CD2-CB 3.95Å; L665-V669 HydrophobicContact CD1-CB 3.92Å; L665-V669 HydrophobicContact CD1-CG1 3.97Å; L665-V669 HydrophobicContact CD1-CG2 4.13Å; L665-V669 HydrophobicContact CG-CB 4.28Å; L665-I670 HydrophobicContact CD2-CD1 4.09Å; L665-I670 HydrophobicContact CD2-CG1 3.71Å; L665-I670 HydrophobicContact CG-CD1 4.26Å; L665-I670 HydrophobicContact CG-CG1 4.05Å
666G88.8Confident91.9Very high44 Ų4481.6 Ų81.645%0.45444%0.443SS..  trans-63.7144.4178.600000113D668 V669G666-D668 PolarHBondContact O-N 2.97Å; G666-V669 PolarHBondContact O-N 2.84Å
667T88.2Confident91.9Very high93 Ų9379.5 Ų79.557%0.57143%0.434SS*.Hα-helixtrans-50.6-39.8179.736.90000113.2V669 I670 N671T667-V669 VanDerWaalsContact C-N 3.29Å; T667-V669 PolarHBondContact O-N 3.06Å; T667-I670 CarbonylContact O-C 3.47Å; T667-I670 WeakPolarHBondContact O-CA 3.24Å; T667-I670 VanDerWaalsContact O-CB 3.32Å; T667-I670 WeakPolarHBondContact O-CB 3.21Å; T667-I670 PolarHBondContact O-N 3.34Å; T667-N671 PolarHBondContact O-N 2.7Å
668D90.1Very high91.9Very high127 Ų12781.9 Ų81.968%0.67944%0.443SS*.Hα-helixtrans-69.3-32.6-169.7-41.7-13000110.8G666 I670 Y672G666-D668 PolarHBondContact O-N 2.97Å; D668-I670 VanDerWaalsContact C-N 3.28Å; D668-I670 PolarHBondContact O-N 3.38Å; D668-Y672 WeakPolarHBondContact O-CB 3.24Å; D668-Y672 PolarHBondContact O-N 2.81Å
669V91.6Very high91.8Very high70 Ų7080.6 Ų80.642%0.42444%0.438SS..Hα-helixtrans-68.4-31.4172.5-170.10000110.8L665 G666 T667 Y672 I673L665-V669 HydrophobicContact CD1-CB 3.92Å; L665-V669 HydrophobicContact CD1-CG1 3.97Å; L665-V669 HydrophobicContact CD1-CG2 4.13Å; L665-V669 HydrophobicContact CG-CB 4.28Å; G666-V669 PolarHBondContact O-N 2.84Å; T667-V669 VanDerWaalsContact C-N 3.29Å; T667-V669 PolarHBondContact O-N 3.06Å; V669-Y672 PolarHBondContact O-N 3.45Å; V669-I673 HydrophobicContact CG1-CD1 4.16Å; V669-I673 WeakPolarHBondContact O-CD1 3.01Å; V669-I673 WeakPolarHBondContact O-CG1 3.43Å; V669-I673 PolarHBondContact O-N 3.4Å
670I92Very high91.7Very high2 Ų277.8 Ų77.81%0.0142%0.423CS..Hα-helixtrans-77-38.9-179.7-54.5177.8000110.2I646 L649 T650 L665 T667 D668 S674I646-I670 HydrophobicContact CG2-CG2 3.93Å; L649-I670 HydrophobicContact CB-CG2 4.14Å; L649-I670 HydrophobicContact CD2-CG2 3.69Å; L649-I670 HydrophobicContact CG-CG2 3.9Å; T650-I670 HydrophobicContact CG2-CD1 3.76Å; T650-I670 VanDerWaalsContact OG1-CD1 3.29Å; T650-I670 WeakPolarHBondContact OG1-CD1 3.35Å; L665-I670 HydrophobicContact CD2-CD1 4.09Å; L665-I670 HydrophobicContact CD2-CG1 3.71Å; L665-I670 HydrophobicContact CG-CD1 4.26Å; L665-I670 HydrophobicContact CG-CG1 4.05Å; T667-I670 CarbonylContact O-C 3.47Å; T667-I670 WeakPolarHBondContact O-CA 3.24Å; T667-I670 VanDerWaalsContact O-CB 3.32Å; T667-I670 WeakPolarHBondContact O-CB 3.21Å; T667-I670 PolarHBondContact O-N 3.34Å; D668-I670 VanDerWaalsContact C-N 3.28Å; D668-I670 PolarHBondContact O-N 3.38Å; I670-S674 WeakPolarHBondContact O-CB 3.36Å; I670-S674 PolarHBondContact O-N 3.38Å
671N92.2Very high91.7Very high23 Ų2373.9 Ų73.912%0.12341%0.409CS..Hα-helixtrans-60-46.8165.1-85.825.3000110.8D640 I646 T667 I673 S674 H675D640-N671 PolarHBondContact O-ND2 2.85Å; D640-N671 PolarHBondContact OD2-ND2 2.8Å; I646-N671 WeakPolarHBondContact CD1-OD1 2.81Å; T667-N671 PolarHBondContact O-N 2.7Å; N671-I673 PolarHBondContact O-N 2.96Å; N671-S674 CarbonylContact O-C 3.52Å; N671-S674 WeakPolarHBondContact O-CA 3.35Å; N671-S674 VanDerWaalsContact O-CB 3.25Å; N671-S674 WeakPolarHBondContact O-CB 3.31Å; N671-S674 PolarHBondContact O-N 2.91Å; N671-H675 PolarHBondContact O-CD2 3.41Å; N671-H675 PolarHBondContact O-N 3.02Å
672Y93.1Very high91.7Very high176 Ų17675.6 Ų75.669%0.6940%0.401SS*.Hα-helixtrans-60.8-42.4179.1-167.8-95.2000113D668 V669 S674 H675 A676D668-Y672 WeakPolarHBondContact O-CB 3.24Å; D668-Y672 PolarHBondContact O-N 2.81Å; V669-Y672 PolarHBondContact O-N 3.45Å; Y672-S674 VanDerWaalsContact C-N 3.3Å; Y672-S674 PolarHBondContact O-N 2.98Å; Y672-H675 PolarHBondContact O-N 3.29Å; Y672-A676 VanDerWaalsContact O-CB 3.3Å; Y672-A676 WeakPolarHBondContact O-CB 3.34Å; Y672-A676 PolarHBondContact O-N 3.22Å
673I93.6Very high91.8Very high60 Ų6076.4 Ų76.431%0.30840%0.403SS..Hα-helixtrans-61.6-39.7172.9-69.6161.5000111L649 V669 N671 T677L649-I673 HydrophobicContact CD1-CG2 4.41Å; L649-I673 HydrophobicContact CD2-CB 4.41Å; L649-I673 HydrophobicContact CD2-CG2 4.01Å; V669-I673 HydrophobicContact CG1-CD1 4.16Å; V669-I673 WeakPolarHBondContact O-CD1 3.01Å; V669-I673 WeakPolarHBondContact O-CG1 3.43Å; V669-I673 PolarHBondContact O-N 3.4Å; N671-I673 PolarHBondContact O-N 2.96Å; I673-T677 WeakPolarHBondContact O-CB 3.43Å; I673-T677 PolarHBondContact O-N 3.33Å; I673-T677 PolarHBondContact O-OG1 2.8Å
674S93.8Very high92.1Very high1 Ų174 Ų741%0.00738%0.383CS..Hα-helixtrans-62.3-47.2175165.60000112F643 L644 I670 N671 Y672 T677 Q678F643-S674 PolarHBondContact N-OG 3.04Å; L644-S674 PolarHBondContact N-OG 2.88Å; I670-S674 WeakPolarHBondContact O-CB 3.36Å; I670-S674 PolarHBondContact O-N 3.38Å; N671-S674 CarbonylContact O-C 3.52Å; N671-S674 WeakPolarHBondContact O-CA 3.35Å; N671-S674 VanDerWaalsContact O-CB 3.25Å; N671-S674 WeakPolarHBondContact O-CB 3.31Å; N671-S674 PolarHBondContact O-N 2.91Å; Y672-S674 VanDerWaalsContact C-N 3.3Å; Y672-S674 PolarHBondContact O-N 2.98Å; S674-T677 WeakPolarHBondContact O-CB 3.01Å; S674-T677 PolarHBondContact O-N 2.71Å; S674-Q678 PolarHBondContact O-N 3.07Å
675H93.1Very high92.3Very high49 Ų4971.4 Ų71.423%0.22737%0.373CS..Hα-helixtrans-70.8-36.4177.8-65.2-57.5000113D640 E641 N671 Y672 T677 Q678 Q679D640-H675 IonicContact OD1-CD2 3.87Å; E641-H675 PolarHBondContact O-NE2 3.37Å; N671-H675 PolarHBondContact O-CD2 3.41Å; N671-H675 PolarHBondContact O-N 3.02Å; Y672-H675 PolarHBondContact O-N 3.29Å; H675-T677 VanDerWaalsContact C-N 3.27Å; H675-T677 PolarHBondContact O-N 3.4Å; H675-Q678 VanDerWaalsContact CE1-CD 3.4Å; H675-Q678 PolarHBondContact CE1-OE1 2.99Å; H675-Q678 PolarHBondContact ND1-OE1 2.94Å; H675-Q678 WeakPolarHBondContact O-CB 3.3Å; H675-Q678 PolarHBondContact O-N 2.96Å; H675-Q679 WeakPolarHBondContact O-CB 3.27Å; H675-Q679 WeakPolarHBondContact O-CG 3.44Å; H675-Q679 PolarHBondContact O-N 3.35Å
676A94.4Very high92.6Very high48 Ų4875 Ų7540%0.39739%0.389SS..Hα-helixtrans-61.3-37.3170.800000111.7Y672 Q679 R680Y672-A676 VanDerWaalsContact O-CB 3.3Å; Y672-A676 WeakPolarHBondContact O-CB 3.34Å; Y672-A676 PolarHBondContact O-N 3.22Å; A676-Q679 PolarHBondContact O-N 2.92Å; A676-R680 PolarHBondContact O-N 2.89Å
677T94.1Very high92.8Very high51 Ų5175.9 Ų75.931%0.31338%0.383SS..Hα-helixtrans-66.7-44.6173.4-55.30000111.5L644 I673 S674 H675 Q679 R680 L681L644-T677 HydrophobicContact CD1-CG2 4.08Å; L644-T677 HydrophobicContact CD2-CG2 4.4Å; I673-T677 WeakPolarHBondContact O-CB 3.43Å; I673-T677 PolarHBondContact O-N 3.33Å; I673-T677 PolarHBondContact O-OG1 2.8Å; S674-T677 WeakPolarHBondContact O-CB 3.01Å; S674-T677 PolarHBondContact O-N 2.71Å; H675-T677 VanDerWaalsContact C-N 3.27Å; H675-T677 PolarHBondContact O-N 3.4Å; T677-Q679 VanDerWaalsContact C-N 3.34Å; T677-Q679 PolarHBondContact O-N 3.44Å; T677-R680 PolarHBondContact O-N 3.13Å; T677-L681 HydrophobicContact CG2-CD1 4.16Å; T677-L681 WeakPolarHBondContact O-CG 3.36Å; T677-L681 PolarHBondContact O-N 3.19Å
678Q94.2Very high93.1Very high61 Ų6171.5 Ų71.529%0.28536%0.357SS..Hα-helixtrans-57.3-45.8173.7-176.3-172.6-12.200111.5F643 S674 H675 L681 Q682F643-Q678 HydrophobicContact CB-CB 3.94Å; F643-Q678 HydrophobicContact CB-CG 4.25Å; F643-Q678 HydrophobicContact CD1-CB 4Å; F643-Q678 HydrophobicContact CD2-CB 4.26Å; F643-Q678 HydrophobicContact CD2-CG 3.94Å; F643-Q678 HydrophobicContact CE2-CG 4.47Å; F643-Q678 HydrophobicContact CG-CB 3.79Å; F643-Q678 HydrophobicContact CG-CG 3.99Å; S674-Q678 PolarHBondContact O-N 3.07Å; H675-Q678 VanDerWaalsContact CE1-CD 3.4Å; H675-Q678 PolarHBondContact CE1-OE1 2.99Å; H675-Q678 PolarHBondContact ND1-OE1 2.94Å; H675-Q678 WeakPolarHBondContact O-CB 3.3Å; H675-Q678 PolarHBondContact O-N 2.96Å; Q678-L681 PolarHBondContact O-N 3.36Å; Q678-Q682 WeakPolarHBondContact O-CB 3.32Å; Q678-Q682 PolarHBondContact O-N 3.28Å
679Q93.9Very high93.2Very high105 Ų10567.2 Ų67.249%0.49134%0.337SS..Hα-helixtrans-64.8-40.9178.3-73.6-56.8-54.700112.5H675 A676 T677 L681 Q682 N683H675-Q679 WeakPolarHBondContact O-CB 3.27Å; H675-Q679 WeakPolarHBondContact O-CG 3.44Å; H675-Q679 PolarHBondContact O-N 3.35Å; A676-Q679 PolarHBondContact O-N 2.92Å; T677-Q679 VanDerWaalsContact C-N 3.34Å; T677-Q679 PolarHBondContact O-N 3.44Å; Q679-L681 VanDerWaalsContact C-N 3.35Å; Q679-L681 PolarHBondContact O-N 2.82Å; Q679-Q682 PolarHBondContact O-N 3.39Å; Q679-N683 WeakPolarHBondContact O-CB 3.41Å; Q679-N683 PolarHBondContact O-N 2.87Å
680R92.4Very high93.2Very high120 Ų12069.3 Ų69.345%0.45334%0.342SS..Hα-helixtrans-65.7-37174.2-172.9169.3176.3-153.6-3.9112.2A676 T677 L684 D841 D843A676-R680 PolarHBondContact O-N 2.89Å; T677-R680 PolarHBondContact O-N 3.13Å; R680-L684 WeakPolarHBondContact O-CB 3.4Å; R680-L684 PolarHBondContact O-N 3.32Å; R680-D841 IonicContact CZ-OD2 3.72Å; R680-D841 IonicContact NE-OD2 3.93Å; R680-D841 IonicContact NH2-OD1 3.98Å; R680-D841 IonicContact NH2-OD2 2.71Å; R680-D841 PolarHBondContact NH2-OD2 3.41Å; R680-D843 VanDerWaalsContact NH2-C 3.33Å; R680-D843 VanDerWaalsContact NH2-CB 3.29Å; R680-D843 PolarHBondContact NH2-O 3.27Å
681L93Very high93.2Very high82 Ų8270.8 Ų70.843%0.42935%0.351SS..Hα-helixtrans-68.7-36.3174.2-70.2170.7000112.5F643 T677 Q678 Q679 L684 L685F643-L681 HydrophobicContact CE1-CD1 3.5Å; F643-L681 HydrophobicContact CZ-CD1 3.78Å; T677-L681 HydrophobicContact CG2-CD1 4.16Å; T677-L681 WeakPolarHBondContact O-CG 3.36Å; T677-L681 PolarHBondContact O-N 3.19Å; Q678-L681 PolarHBondContact O-N 3.36Å; Q679-L681 VanDerWaalsContact C-N 3.35Å; Q679-L681 PolarHBondContact O-N 2.82Å; L681-L684 PolarHBondContact O-N 3.15Å; L681-L685 WeakPolarHBondContact O-CB 3.5Å; L681-L685 PolarHBondContact O-N 3.15Å
682Q93.8Very high93.2Very high99 Ų9969.7 Ų69.746%0.46335%0.345SS..Hα-helixtrans-63-48.9173.9-178.6173.5-1000111Q678 Q679 L684 L685 E686Q678-Q682 WeakPolarHBondContact O-CB 3.32Å; Q678-Q682 PolarHBondContact O-N 3.28Å; Q679-Q682 PolarHBondContact O-N 3.39Å; Q682-L684 PolarHBondContact O-N 3.21Å; Q682-L685 PolarHBondContact O-N 3.05Å; Q682-E686 WeakPolarHBondContact O-CB 3.33Å; Q682-E686 PolarHBondContact O-N 3.33Å
683N93.9Very high92.9Very high89 Ų8966.6 Ų66.648%0.47634%0.337SS..Hα-helixtrans-60.6-44.4175.6-173.7-10.1000111.6Q679 L685 E686 N687Q679-N683 WeakPolarHBondContact O-CB 3.41Å; Q679-N683 PolarHBondContact O-N 2.87Å; N683-L685 VanDerWaalsContact C-N 3.32Å; N683-L685 PolarHBondContact O-N 3.25Å; N683-E686 PolarHBondContact O-N 3.18Å; N683-N687 PolarHBondContact O-N 3.26Å; N683-N687 PolarHBondContact O-ND2 3.46Å; N683-N687 PolarHBondContact OD1-ND2 3.45Å
684L92.3Very high92.4Very high37 Ų3767.9 Ų67.919%0.19434%0.344CS..Hα-helixtrans-61.1-39.2175.5-177.462.4000112.5R680 L681 Q682 A688 L834 C837 L838R680-L684 WeakPolarHBondContact O-CB 3.4Å; R680-L684 PolarHBondContact O-N 3.32Å; L681-L684 PolarHBondContact O-N 3.15Å; Q682-L684 PolarHBondContact O-N 3.21Å; L684-A688 WeakPolarHBondContact O-CB 3.3Å; L684-A688 PolarHBondContact O-N 3Å; L684-L834 HydrophobicContact CD1-CD1 4.11Å; L684-L834 HydrophobicContact CD2-CD1 3.98Å; L684-L834 HydrophobicContact CG-CD1 3.89Å; L684-C837 HydrophobicContact CD1-CB 3.8Å; L684-L838 HydrophobicContact CD1-CD2 4.13Å; L684-L838 HydrophobicContact CD2-CD2 3.99Å
685L92.8Very high91.9Very high113 Ų11373.3 Ų73.359%0.59237%0.367SS*.Hα-helixtrans-70.3-37.4175.7-178.961.1000112.3L681 Q682 N683 A688 S689L681-L685 WeakPolarHBondContact O-CB 3.5Å; L681-L685 PolarHBondContact O-N 3.15Å; Q682-L685 PolarHBondContact O-N 3.05Å; N683-L685 VanDerWaalsContact C-N 3.32Å; N683-L685 PolarHBondContact O-N 3.25Å; L685-A688 PolarHBondContact O-N 2.8Å; L685-S689 WeakPolarHBondContact O-CB 3.24Å; L685-S689 PolarHBondContact O-N 3.08Å
686E93.2Very high91Very high124 Ų12475 Ų7558%0.57938%0.378SS*.Hα-helixtrans-61.8-50.7175.7-177.3167.2-161.300110.9Q682 N683 A688 S689 Q690Q682-E686 WeakPolarHBondContact O-CB 3.33Å; Q682-E686 PolarHBondContact O-N 3.33Å; N683-E686 PolarHBondContact O-N 3.18Å; E686-A688 PolarHBondContact O-N 3.16Å; E686-S689 CarbonylContact O-C 3.59Å; E686-S689 WeakPolarHBondContact O-CA 3.41Å; E686-S689 WeakPolarHBondContact O-CB 3.29Å; E686-S689 PolarHBondContact O-N 3.32Å; E686-S689 VanDerWaalsContact O-N 3.09Å; E686-S689 PolarHBondContact O-OG 3.01Å; E686-Q690 PolarHBondContact O-N 3.43Å
687N93.6Very high90.2Very high63 Ų6377.1 Ų77.134%0.33738%0.379SS..Hα-helixtrans-58-45.6173.7-70.1-61.8000112N683 S689 Q690 V691 C837N683-N687 PolarHBondContact O-N 3.26Å; N683-N687 PolarHBondContact O-ND2 3.46Å; N683-N687 PolarHBondContact OD1-ND2 3.45Å; N687-S689 VanDerWaalsContact C-N 3.25Å; N687-S689 PolarHBondContact O-N 3.44Å; N687-Q690 PolarHBondContact O-N 3.12Å; N687-Q690 VanDerWaalsContact O-N 3.1Å; N687-V691 WeakPolarHBondContact O-CG2 3.37Å; N687-V691 PolarHBondContact O-N 2.97Å; N687-C837 VanDerWaalsContact C-SG 3.56Å; N687-C837 HydrophobicContact CB-CB 4.49Å
688A93.8Very high89.2Confident2 Ų278.6 Ų78.62%0.01739%0.385CS..Hα-helixtrans-63.9-31.6177.300000112.4L684 L685 E686 A692 V829 C837L684-A688 WeakPolarHBondContact O-CB 3.3Å; L684-A688 PolarHBondContact O-N 3Å; L685-A688 PolarHBondContact O-N 2.8Å; E686-A688 PolarHBondContact O-N 3.16Å; A688-A692 VanDerWaalsContact O-CB 3.3Å; A688-A692 WeakPolarHBondContact O-CB 3.39Å; A688-A692 PolarHBondContact O-N 2.93Å; A688-V829 HydrophobicContact CB-CG1 3.92Å; A688-C837 WeakPolarHBondContact CA-SG 3.48Å; A688-C837 PolarHBondContact N-SG 3.35Å; A688-C837 VanDerWaalsContact N-SG 3.4Å
689S92.3Very high88Confident37 Ų3781.1 Ų81.126%0.25940%0.395SS..Hα-helixtrans-70.3-39.1172.289.40000111.9L685 E686 N687 A692 Q693L685-S689 WeakPolarHBondContact O-CB 3.24Å; L685-S689 PolarHBondContact O-N 3.08Å; E686-S689 CarbonylContact O-C 3.59Å; E686-S689 WeakPolarHBondContact O-CA 3.41Å; E686-S689 WeakPolarHBondContact O-CB 3.29Å; E686-S689 PolarHBondContact O-N 3.32Å; E686-S689 VanDerWaalsContact O-N 3.09Å; E686-S689 PolarHBondContact O-OG 3.01Å; N687-S689 VanDerWaalsContact C-N 3.25Å; N687-S689 PolarHBondContact O-N 3.44Å; S689-A692 PolarHBondContact O-N 2.87Å; S689-Q693 WeakPolarHBondContact O-CB 3.38Å; S689-Q693 VanDerWaalsContact O-CG 3.26Å; S689-Q693 WeakPolarHBondContact O-CG 3.44Å; S689-Q693 PolarHBondContact O-N 3.44Å
690Q91.6Very high86.8Confident114 Ų11485.1 Ų85.153%0.53341%0.41SS..Hα-helixtrans-67.5-44.6177.8-167.6-176.962.500111E686 N687 A692 Q693 L694E686-Q690 PolarHBondContact O-N 3.43Å; N687-Q690 PolarHBondContact O-N 3.12Å; N687-Q690 VanDerWaalsContact O-N 3.1Å; Q690-A692 VanDerWaalsContact C-N 3.33Å; Q690-A692 PolarHBondContact O-N 3.22Å; Q690-Q693 PolarHBondContact O-N 3.41Å; Q690-L694 HydrophobicContact CG-CD1 4.27Å; Q690-L694 WeakPolarHBondContact O-CB 3.07Å; Q690-L694 WeakPolarHBondContact O-CG 3.1Å; Q690-L694 PolarHBondContact O-N 3.4Å
691V92.4Very high85.4Confident32 Ų3286.9 Ų86.919%0.19442%0.424CS..Hα-helixtrans-57.3-45.2171.3168.90000111.2N687 Q693 L694 K695 D833 L836N687-V691 WeakPolarHBondContact O-CG2 3.37Å; N687-V691 PolarHBondContact O-N 2.97Å; V691-Q693 VanDerWaalsContact C-N 3.33Å; V691-Q693 PolarHBondContact O-N 2.83Å; V691-L694 PolarHBondContact O-N 2.93Å; V691-K695 WeakPolarHBondContact O-CB 3.48Å; V691-K695 PolarHBondContact O-N 3.43Å; V691-K695 VanDerWaalsContact O-N 3.07Å; V691-D833 HydrophobicContact CG1-CB 3.92Å; V691-L836 HydrophobicContact CG1-CD2 3.93Å; V691-L836 HydrophobicContact CG2-CD2 4.37Å
692A91.1Very high84.3Confident0 Ų084.6 Ų84.60%041%0.412CS..Hα-helixtrans-66.2-33.3177.700000112.9A688 S689 Q690 N696 T827 V829A688-A692 VanDerWaalsContact O-CB 3.3Å; A688-A692 WeakPolarHBondContact O-CB 3.39Å; A688-A692 PolarHBondContact O-N 2.93Å; S689-A692 PolarHBondContact O-N 2.87Å; Q690-A692 VanDerWaalsContact C-N 3.33Å; Q690-A692 PolarHBondContact O-N 3.22Å; A692-N696 PolarHBondContact O-ND2 2.68Å; A692-T827 HydrophobicContact CB-CG2 3.72Å; A692-V829 HydrophobicContact CB-CB 4.46Å; A692-V829 HydrophobicContact CB-CG2 3.94Å
693Q87.3Confident83.3Confident111 Ų11189.6 Ų89.652%0.51944%0.435SS..Hα-helixtrans-69.6-50.1173.1-7417351.500111.7S689 Q690 V691 K695 N696 F697 T827S689-Q693 WeakPolarHBondContact O-CB 3.38Å; S689-Q693 VanDerWaalsContact O-CG 3.26Å; S689-Q693 WeakPolarHBondContact O-CG 3.44Å; S689-Q693 PolarHBondContact O-N 3.44Å; Q690-Q693 PolarHBondContact O-N 3.41Å; V691-Q693 VanDerWaalsContact C-N 3.33Å; V691-Q693 PolarHBondContact O-N 2.83Å; Q693-K695 VanDerWaalsContact C-N 3.28Å; Q693-K695 PolarHBondContact O-N 2.86Å; Q693-N696 CarbonylContact O-C 3.55Å; Q693-N696 WeakPolarHBondContact O-CA 3.27Å; Q693-N696 PolarHBondContact O-N 3.41Å; Q693-F697 PolarHBondContact O-N 3.12Å; Q693-T827 HydrophobicContact CG-CG2 4.18Å
694L84.4Confident82.5Confident88 Ų8895.4 Ų95.446%0.46145%0.451SS..Hα-helixtrans-55.9-41.2178.7-73.5168.4000112.1Q690 V691 N696 F697 F699Q690-L694 HydrophobicContact CG-CD1 4.27Å; Q690-L694 WeakPolarHBondContact O-CB 3.07Å; Q690-L694 WeakPolarHBondContact O-CG 3.1Å; Q690-L694 PolarHBondContact O-N 3.4Å; V691-L694 PolarHBondContact O-N 2.93Å; L694-N696 PolarHBondContact O-N 2.72Å; L694-F697 WeakPolarHBondContact O-CB 3.46Å; L694-F697 PolarHBondContact O-N 3.01Å; L694-F697 VanDerWaalsContact O-N 3.11Å; L694-F699 HydrophobicContact CD2-CZ 4.44Å; L694-F699 WeakPolarHBondContact O-CE2 3.32Å
695K81.6Confident81.4Confident114 Ų11496 Ų9650%0.49646%0.458SS..THydrogen-bonded Turntrans-62.2-24.2174.2-178.2177.362.3-1740114.1V691 Q693 N830 D833V691-K695 WeakPolarHBondContact O-CB 3.48Å; V691-K695 PolarHBondContact O-N 3.43Å; V691-K695 VanDerWaalsContact O-N 3.07Å; Q693-K695 VanDerWaalsContact C-N 3.28Å; Q693-K695 PolarHBondContact O-N 2.86Å; K695-N830 PolarHBondContact NZ-ND2 3.25Å; K695-D833 IonicContact NZ-OD1 2.92Å; K695-D833 PolarHBondContact NZ-OD1 2.91Å; K695-D833 IonicContact NZ-OD2 2.85Å; K695-D833 PolarHBondContact NZ-OD2 2.85Å
696N74.8Confident80.8Confident86 Ų8699 Ų9946%0.4647%0.469SS..THydrogen-bonded Turntrans-101.5-0.6176.7-74.4-85.8000113A692 Q693 L694A692-N696 PolarHBondContact O-ND2 2.68Å; Q693-N696 CarbonylContact O-C 3.55Å; Q693-N696 WeakPolarHBondContact O-CA 3.27Å; Q693-N696 PolarHBondContact O-N 3.41Å; L694-N696 PolarHBondContact O-N 2.72Å
697F77.1Confident80Confident92 Ų9298.9 Ų98.940%0.40447%0.468SS..  trans-76.4133.1-176.6-166.6-92000111Q693 L694 F699 D702Q693-F697 PolarHBondContact O-N 3.12Å; L694-F697 WeakPolarHBondContact O-CB 3.46Å; L694-F697 PolarHBondContact O-N 3.01Å; L694-F697 VanDerWaalsContact O-N 3.11Å; F697-F699 HydrophobicContact CB-CE2 3.97Å; F697-F699 HydrophobicContact CB-CZ 4.01Å; F697-F699 AromaticContact CD1-CD1 3.65Å; F697-F699 HydrophobicContact CD1-CD1 3.65Å; F697-F699 HydrophobicContact CD1-CD2 4.16Å; F697-F699 AromaticContact CD1-CE1 3.7Å; F697-F699 HydrophobicContact CD1-CE1 3.7Å; F697-F699 HydrophobicContact CD1-CE2 4.2Å; F697-F699 AromaticContact CD1-CG 3.89Å; F697-F699 HydrophobicContact CD1-CG 3.89Å; F697-F699 AromaticContact CD1-CZ 3.98Å; F697-F699 HydrophobicContact CD1-CZ 3.98Å; F697-F699 HydrophobicContact CE1-CD1 4.11Å; F697-F699 HydrophobicContact CE1-CE1 4.36Å; F697-F699 HydrophobicContact CG-CE1 4.46Å; F697-F699 HydrophobicContact CG-CZ 4.37Å; F697-F699 VanDerWaalsContact O-CD2 3.24Å; F697-F699 WeakPolarHBondContact O-CD2 3.44Å; F697-F699 WeakPolarHBondContact O-CE2 3.48Å; F697-F699 PolarHBondContact O-N 3Å; F697-D702 HydrophobicContact CE1-CB 4.19Å; F697-D702 HydrophobicContact CZ-CB 4.18Å
698N73.6Confident79.5Confident82 Ų82102.5 Ų102.544%0.43949%0.492SS..  trans-91.478.1-178.6-166.815000111.1K700 E701N698-K700 PolarHBondContact O-N 3.06Å; N698-E701 HydrophobicContact CB-CB 4.27Å; N698-E701 PolarHBondContact ND2-OE2 2.71Å; N698-E701 PolarHBondContact O-N 3.13Å
699F70.2Confident78.9Confident113 Ų113105.9 Ų105.950%0.49652%0.516SS..THydrogen-bonded Turntrans-55.3-9.1179.7-59.7-84.8000115.3L694 F697L694-F699 HydrophobicContact CD2-CZ 4.44Å; L694-F699 WeakPolarHBondContact O-CE2 3.32Å; F697-F699 HydrophobicContact CB-CE2 3.97Å; F697-F699 HydrophobicContact CB-CZ 4.01Å; F697-F699 AromaticContact CD1-CD1 3.65Å; F697-F699 HydrophobicContact CD1-CD1 3.65Å; F697-F699 HydrophobicContact CD1-CD2 4.16Å; F697-F699 AromaticContact CD1-CE1 3.7Å; F697-F699 HydrophobicContact CD1-CE1 3.7Å; F697-F699 HydrophobicContact CD1-CE2 4.2Å; F697-F699 AromaticContact CD1-CG 3.89Å; F697-F699 HydrophobicContact CD1-CG 3.89Å; F697-F699 AromaticContact CD1-CZ 3.98Å; F697-F699 HydrophobicContact CD1-CZ 3.98Å; F697-F699 HydrophobicContact CE1-CD1 4.11Å; F697-F699 HydrophobicContact CE1-CE1 4.36Å; F697-F699 HydrophobicContact CG-CE1 4.46Å; F697-F699 HydrophobicContact CG-CZ 4.37Å; F697-F699 VanDerWaalsContact O-CD2 3.24Å; F697-F699 WeakPolarHBondContact O-CD2 3.44Å; F697-F699 WeakPolarHBondContact O-CE2 3.48Å; F697-F699 PolarHBondContact O-N 3Å
700K67.1Low78.5Confident189 Ų189107.5 Ų107.582%0.82252%0.522SS*.THydrogen-bonded Turntrans-89.6-2.6175.8-61.6-170.1174.6-119.90114.2N698N698-K700 PolarHBondContact O-N 3.06Å
701E64.8Low78.5Confident158 Ų158106.6 Ų106.674%0.73852%0.524SS*.SBendtrans-125.3-4.7-168.7-162.8166.1-145.600112.6N698N698-E701 HydrophobicContact CB-CB 4.27Å; N698-E701 PolarHBondContact ND2-OE2 2.71Å; N698-E701 PolarHBondContact O-N 3.13Å
702D69.6Low78.3Confident34 Ų34114.5 Ų114.518%0.18255%0.55CS..  trans-103.7116.1171.2-167.5-33.2000109.6F697 R704 C705F697-D702 HydrophobicContact CE1-CB 4.19Å; F697-D702 HydrophobicContact CZ-CB 4.18Å; D702-R704 PolarHBondContact O-N 3.04Å; D702-R704 WeakPolarHBondContact OD1-CB 3.5Å; D702-R704 IonicContact OD1-CZ 2.68Å; D702-R704 PolarHBondContact OD1-N 2.7Å; D702-R704 IonicContact OD1-NE 2.8Å; D702-R704 PolarHBondContact OD1-NE 3.32Å; D702-R704 IonicContact OD1-NH2 2.66Å; D702-R704 PolarHBondContact OD1-NH2 2.82Å; D702-R704 IonicContact OD2-CZ 2.76Å; D702-R704 IonicContact OD2-NE 2.71Å; D702-R704 IonicContact OD2-NH2 3.81Å; D702-R704 PolarHBondContact OD2-NH2 2.9Å; D702-C705 WeakPolarHBondContact O-CB 3.43Å; D702-C705 PolarHBondContact O-N 2.85Å
703E71.6Confident78.2Confident203 Ų203116.9 Ų116.995%0.94957%0.569SS**THydrogen-bonded Turntrans-62.8-12.7-177.3-166.1168.9-165.700113.5
704R76.9Confident78.5Confident211 Ų211116.4 Ų116.480%0.79657%0.567SS**THydrogen-bonded Turntrans-89.1-5.1175.5-58.5164.3-66.6-155.85113.5D702D702-R704 PolarHBondContact O-N 3.04Å; D702-R704 WeakPolarHBondContact OD1-CB 3.5Å; D702-R704 IonicContact OD1-CZ 2.68Å; D702-R704 PolarHBondContact OD1-N 2.7Å; D702-R704 IonicContact OD1-NE 2.8Å; D702-R704 PolarHBondContact OD1-NE 3.32Å; D702-R704 IonicContact OD1-NH2 2.66Å; D702-R704 PolarHBondContact OD1-NH2 2.82Å; D702-R704 IonicContact OD2-CZ 2.76Å; D702-R704 IonicContact OD2-NE 2.71Å; D702-R704 IonicContact OD2-NH2 3.81Å; D702-R704 PolarHBondContact OD2-NH2 2.9Å
705C70.8Confident79Confident51 Ų51117.8 Ų117.835%0.34557%0.574SS.*  trans-97.492.7-178.5-700000111.8D702D702-C705 WeakPolarHBondContact O-CB 3.43Å; D702-C705 PolarHBondContact O-N 2.85Å
706E78.4Confident79.7Confident175 Ų175118.7 Ų118.782%0.81858%0.578SS**  trans-73.8136.9173.4-171.3175-176.900112.2V708E706-V708 PolarHBondContact O-N 3.22Å; E706-V708 VanDerWaalsContact O-N 3.07Å
707Q78.3Confident80.7Confident121 Ų121119.9 Ų119.957%0.56558%0.579SS**  trans-82.383.1176.9-171.4174.8-1.300111.3S709 D710Q707-S709 PolarHBondContact O-N 2.96Å; Q707-S709 VanDerWaalsContact O-N 3.16Å; Q707-D710 PolarHBondContact NE2-OD2 2.92Å
708V81.4Confident81.7Confident139 Ų139120.9 Ų120.984%0.84258%0.584SS**  trans-58.5-27.8-178.8-174.70000113.6E706E706-V708 PolarHBondContact O-N 3.22Å; E706-V708 VanDerWaalsContact O-N 3.07Å
709S81.2Confident82.7Confident74 Ų74123.2 Ų123.252%0.51759%0.592SS.*  trans-158.9148.6175.3-171.20000112.4Q707 V711Q707-S709 PolarHBondContact O-N 2.96Å; Q707-S709 VanDerWaalsContact O-N 3.16Å; S709-V711 WeakPolarHBondContact OG-CG2 3.33Å
710D84.2Confident84Confident71 Ų71123 Ų12338%0.3859%0.593SS.*  trans-113.763.5167.4-153.2-27.2000112.5Q707 R712 A713 Q714Q707-D710 PolarHBondContact NE2-OD2 2.92Å; D710-R712 PolarHBondContact O-N 2.95Å; D710-R712 PolarHBondContact OD1-N 3.47Å; D710-A713 HydrophobicContact CB-CB 3.98Å; D710-A713 PolarHBondContact O-N 3.39Å; D710-A713 VanDerWaalsContact O-N 3.14Å; D710-A713 WeakPolarHBondContact OD1-CB 3.32Å; D710-A713 PolarHBondContact OD1-N 2.94Å; D710-Q714 WeakPolarHBondContact O-CB 3.34Å; D710-Q714 PolarHBondContact O-N 2.9Å
711V91.7Very high85.4Confident95 Ų95117.2 Ų117.258%0.57657%0.57SS**Hα-helixtrans-53.8-26.1172.1-172.20000111.7S709 L715S709-V711 WeakPolarHBondContact OG-CG2 3.33Å; V711-L715 VanDerWaalsContact O-CB 3.23Å; V711-L715 WeakPolarHBondContact O-CB 3.31Å; V711-L715 PolarHBondContact O-N 3.12Å
712R88Confident86.9Confident198 Ų198114.9 Ų114.975%0.74756%0.563SS**Hα-helixtrans-76.1-40.6179.2-174.1179.2-67.7-86.41.5112.2D710 K716D710-R712 PolarHBondContact O-N 2.95Å; D710-R712 PolarHBondContact OD1-N 3.47Å; R712-K716 WeakPolarHBondContact O-CG 3.45Å; R712-K716 PolarHBondContact O-N 3.04Å
713A89.6Confident88.1Confident49 Ų49118.8 Ų118.841%0.40558%0.58SS.*Hα-helixtrans-68.9-40170.700000111D710 K716 F717D710-A713 HydrophobicContact CB-CB 3.98Å; D710-A713 PolarHBondContact O-N 3.39Å; D710-A713 VanDerWaalsContact O-N 3.14Å; D710-A713 WeakPolarHBondContact OD1-CB 3.32Å; D710-A713 PolarHBondContact OD1-N 2.94Å; A713-K716 WeakPolarHBondContact O-CB 3.24Å; A713-K716 PolarHBondContact O-N 3.46Å; A713-F717 PolarHBondContact O-N 2.77Å
714Q93.1Very high89.2Confident101 Ų101113 Ų11347%0.47255%0.554SS.*Hα-helixtrans-62.2-43176.1-167.6-177.27.300112.1D710 F717 F718D710-Q714 WeakPolarHBondContact O-CB 3.34Å; D710-Q714 PolarHBondContact O-N 2.9Å; Q714-F717 WeakPolarHBondContact O-CB 3.44Å; Q714-F717 PolarHBondContact O-N 3.16Å; Q714-F718 HydrophobicContact CG-CD2 4.19Å; Q714-F718 HydrophobicContact CG-CE2 3.78Å; Q714-F718 VanDerWaalsContact O-CD2 3.23Å; Q714-F718 WeakPolarHBondContact O-CD2 3.31Å; Q714-F718 PolarHBondContact O-N 2.85Å
715L95.6Very high90Very high117 Ų117107.1 Ų107.161%0.61354%0.536SS*.Hα-helixtrans-64.4-39.7175.5-176.262.3000112V711 F717 F718 E719V711-L715 VanDerWaalsContact O-CB 3.23Å; V711-L715 WeakPolarHBondContact O-CB 3.31Å; V711-L715 PolarHBondContact O-N 3.12Å; L715-F717 VanDerWaalsContact C-N 3.31Å; L715-F717 PolarHBondContact O-N 2.97Å; L715-F718 PolarHBondContact O-N 3.16Å; L715-E719 PolarHBondContact O-N 2.66Å
716K95.4Very high91.2Very high133 Ų133110.3 Ų110.358%0.57854%0.544SS*.Hα-helixtrans-64.3-34172.1-78.2-176.3169.5-164.70113.2R712 A713 E719 Q720R712-K716 WeakPolarHBondContact O-CG 3.45Å; R712-K716 PolarHBondContact O-N 3.04Å; A713-K716 WeakPolarHBondContact O-CB 3.24Å; A713-K716 PolarHBondContact O-N 3.46Å; K716-E719 PolarHBondContact O-N 2.79Å; K716-Q720 WeakPolarHBondContact O-CB 3.49Å; K716-Q720 PolarHBondContact O-N 3.27Å
717F96.4Very high91.9Very high111 Ų111107.2 Ų107.249%0.48753%0.529SS..Hα-helixtrans-67.6-39.4173.8175.7-106000111.2A713 Q714 L715 Q720 L721A713-F717 PolarHBondContact O-N 2.77Å; Q714-F717 WeakPolarHBondContact O-CB 3.44Å; Q714-F717 PolarHBondContact O-N 3.16Å; L715-F717 VanDerWaalsContact C-N 3.31Å; L715-F717 PolarHBondContact O-N 2.97Å; F717-Q720 PolarHBondContact O-N 3.41Å; F717-L721 HydrophobicContact CD1-CD1 3.98Å; F717-L721 HydrophobicContact CD1-CG 4.46Å; F717-L721 HydrophobicContact CE1-CD1 3.48Å; F717-L721 VanDerWaalsContact CE1-CD1 3.48Å; F717-L721 HydrophobicContact CE1-CG 4.09Å; F717-L721 HydrophobicContact CE2-CG 4.38Å; F717-L721 HydrophobicContact CZ-CD1 3.84Å; F717-L721 HydrophobicContact CZ-CD2 4.18Å; F717-L721 HydrophobicContact CZ-CG 4.05Å; F717-L721 WeakPolarHBondContact O-CG 3.31Å; F717-L721 PolarHBondContact O-N 2.85Å
718F97Very high92.7Very high113 Ų113107.7 Ų107.750%0.49653%0.526SS..Hα-helixtrans-65.3-40.6170.8-73-59.9000112.9Q714 L715 Q720 L721 D722Q714-F718 HydrophobicContact CG-CD2 4.19Å; Q714-F718 HydrophobicContact CG-CE2 3.78Å; Q714-F718 VanDerWaalsContact O-CD2 3.23Å; Q714-F718 WeakPolarHBondContact O-CD2 3.31Å; Q714-F718 PolarHBondContact O-N 2.85Å; L715-F718 PolarHBondContact O-N 3.16Å; F718-Q720 VanDerWaalsContact C-N 3.3Å; F718-Q720 PolarHBondContact O-N 2.79Å; F718-L721 HydrophobicContact CD1-CD1 4.11Å; F718-L721 PolarHBondContact O-N 3.16Å; F718-D722 PolarHBondContact O-N 2.94Å
719E95.9Very high93.3Very high132 Ų132106.1 Ų106.162%0.61751%0.508SS*.Hα-helixtrans-59.2-39.9172-176.8179.8-156.100111.7L715 K716 Q723L715-E719 PolarHBondContact O-N 2.66Å; K716-E719 PolarHBondContact O-N 2.79Å; E719-Q723 WeakPolarHBondContact O-CB 3.36Å; E719-Q723 PolarHBondContact O-N 3.27Å
720Q96.1Very high93.7Very high108 Ų108107.5 Ų107.551%0.50551%0.506SS..Hα-helixtrans-70-37.3174.2-173.9178-3.600112.6K716 F717 F718 Q723 M724K716-Q720 WeakPolarHBondContact O-CB 3.49Å; K716-Q720 PolarHBondContact O-N 3.27Å; F717-Q720 PolarHBondContact O-N 3.41Å; F718-Q720 VanDerWaalsContact C-N 3.3Å; F718-Q720 PolarHBondContact O-N 2.79Å; Q720-Q723 PolarHBondContact O-N 3.29Å; Q720-M724 WeakPolarHBondContact O-CG 3.08Å; Q720-M724 PolarHBondContact O-N 3.21Å
721L96.7Very high93.9Very high67 Ų67110.6 Ų110.635%0.35152%0.518SS..Hα-helixtrans-64.7-45.5175.1-77.7176.4000111.7F717 F718 Q723 M724 E725F717-L721 HydrophobicContact CD1-CD1 3.98Å; F717-L721 HydrophobicContact CD1-CG 4.46Å; F717-L721 HydrophobicContact CE1-CD1 3.48Å; F717-L721 VanDerWaalsContact CE1-CD1 3.48Å; F717-L721 HydrophobicContact CE1-CG 4.09Å; F717-L721 HydrophobicContact CE2-CG 4.38Å; F717-L721 HydrophobicContact CZ-CD1 3.84Å; F717-L721 HydrophobicContact CZ-CD2 4.18Å; F717-L721 HydrophobicContact CZ-CG 4.05Å; F717-L721 WeakPolarHBondContact O-CG 3.31Å; F717-L721 PolarHBondContact O-N 2.85Å; F718-L721 HydrophobicContact CD1-CD1 4.11Å; F718-L721 PolarHBondContact O-N 3.16Å; L721-Q723 VanDerWaalsContact C-N 3.34Å; L721-M724 HydrophobicContact CD2-CE 3.9Å; L721-M724 PolarHBondContact O-N 2.67Å; L721-E725 WeakPolarHBondContact O-CB 3.41Å; L721-E725 PolarHBondContact O-N 3.12Å
722D95.9Very high93.9Very high109 Ų109111 Ų11158%0.58351%0.514SS*.Hα-helixtrans-60.1-44.8174.6179.167.4000111F718 M724 E725 K726F718-D722 PolarHBondContact O-N 2.94Å; D722-M724 VanDerWaalsContact C-N 3.34Å; D722-M724 PolarHBondContact O-N 3.34Å; D722-E725 PolarHBondContact O-N 3.03Å; D722-K726 VanDerWaalsContact O-CB 3.31Å; D722-K726 WeakPolarHBondContact O-CB 3.35Å; D722-K726 PolarHBondContact O-N 2.98Å
723Q96.4Very high93.8Very high117 Ų117108.4 Ų108.455%0.54751%0.51SS..Hα-helixtrans-60.6-40175.3-176.7167.797.800112.8E719 Q720 L721 Q727E719-Q723 WeakPolarHBondContact O-CB 3.36Å; E719-Q723 PolarHBondContact O-N 3.27Å; Q720-Q723 PolarHBondContact O-N 3.29Å; L721-Q723 VanDerWaalsContact C-N 3.34Å; Q723-Q727 WeakPolarHBondContact O-CB 3.28Å; Q723-Q727 VanDerWaalsContact O-CG 3.31Å; Q723-Q727 WeakPolarHBondContact O-CG 3.31Å; Q723-Q727 PolarHBondContact O-N 2.89Å
724M93.7Very high93.6Very high81 Ų81109.3 Ų109.340%0.39950%0.503SS..Hα-helixtrans-73.1-35175.7-72.7-167.8-55.500113Q720 L721 D722 Q727 R728Q720-M724 WeakPolarHBondContact O-CG 3.08Å; Q720-M724 PolarHBondContact O-N 3.21Å; L721-M724 HydrophobicContact CD2-CE 3.9Å; L721-M724 PolarHBondContact O-N 2.67Å; D722-M724 VanDerWaalsContact C-N 3.34Å; D722-M724 PolarHBondContact O-N 3.34Å; M724-Q727 PolarHBondContact O-N 3.12Å; M724-R728 WeakPolarHBondContact O-CB 3.36Å; M724-R728 PolarHBondContact O-N 3.41Å
725E94.3Very high93.3Very high87 Ų87109.5 Ų109.541%0.40750%0.504SS..Hα-helixtrans-66.9-40.9173.9-175.4175.9150.400111L721 D722 R728 K729L721-E725 WeakPolarHBondContact O-CB 3.41Å; L721-E725 PolarHBondContact O-N 3.12Å; D722-E725 PolarHBondContact O-N 3.03Å; E725-R728 WeakPolarHBondContact O-CB 3.5Å; E725-R728 PolarHBondContact O-N 3.5Å; E725-K729 HydrophobicContact CG-CD 4.45Å; E725-K729 WeakPolarHBondContact O-CG 3.19Å; E725-K729 PolarHBondContact O-N 3.46Å; E725-K729 WeakPolarHBondContact OE1-CE 3.15Å; E725-K729 IonicContact OE1-NZ 2.73Å; E725-K729 PolarHBondContact OE1-NZ 2.68Å
726K95.4Very high92.9Very high119 Ų119109.3 Ų109.352%0.51750%0.503SS..Hα-helixtrans-60.4-48.2172.3178.3170.81741720111.8D722 R728 K729 E730D722-K726 VanDerWaalsContact O-CB 3.31Å; D722-K726 WeakPolarHBondContact O-CB 3.35Å; D722-K726 PolarHBondContact O-N 2.98Å; K726-R728 VanDerWaalsContact C-N 3.3Å; K726-R728 PolarHBondContact O-N 2.94Å; K726-K729 PolarHBondContact O-N 3.1Å; K726-K729 VanDerWaalsContact O-N 3.13Å; K726-E730 WeakPolarHBondContact CE-OE1 3.29Å; K726-E730 HydrophobicContact CG-CG 4.47Å; K726-E730 IonicContact NZ-OE1 3.26Å; K726-E730 WeakPolarHBondContact O-CG 3.45Å; K726-E730 PolarHBondContact O-N 2.92Å
727Q93.8Very high92.1Very high109 Ų109103.8 Ų103.851%0.50948%0.479SS..Hα-helixtrans-58.3-41.8175.1-77.1173.26.900111.9Q723 M724 K729 E730 E731Q723-Q727 WeakPolarHBondContact O-CB 3.28Å; Q723-Q727 VanDerWaalsContact O-CG 3.31Å; Q723-Q727 WeakPolarHBondContact O-CG 3.31Å; Q723-Q727 PolarHBondContact O-N 2.89Å; M724-Q727 PolarHBondContact O-N 3.12Å; Q727-K729 VanDerWaalsContact C-N 3.34Å; Q727-K729 PolarHBondContact O-N 3.32Å; Q727-E730 PolarHBondContact O-N 3.17Å; Q727-E731 VanDerWaalsContact O-CB 3.32Å; Q727-E731 WeakPolarHBondContact O-CB 3.46Å; Q727-E731 PolarHBondContact O-N 2.87Å
728R94.8Very high91.3Very high131 Ų131102.8 Ų102.849%0.49448%0.479SS..Hα-helixtrans-61.6-39.7175.6-167.6-167.1-56.9122.12.6112.3M724 E725 K726 Q732M724-R728 WeakPolarHBondContact O-CB 3.36Å; M724-R728 PolarHBondContact O-N 3.41Å; E725-R728 WeakPolarHBondContact O-CB 3.5Å; E725-R728 PolarHBondContact O-N 3.5Å; K726-R728 VanDerWaalsContact C-N 3.3Å; K726-R728 PolarHBondContact O-N 2.94Å; R728-Q732 WeakPolarHBondContact O-CB 3.22Å; R728-Q732 VanDerWaalsContact O-CG 3.24Å; R728-Q732 WeakPolarHBondContact O-CG 3.42Å; R728-Q732 PolarHBondContact O-N 3.24Å
729K94.1Very high90.8Very high106 Ų106103.4 Ų103.446%0.46148%0.481SS..Hα-helixtrans-68.2-45.7176.3-71.5169.8-175.7166.90111.6E725 K726 Q727 E731 Q732 E733E725-K729 HydrophobicContact CG-CD 4.45Å; E725-K729 WeakPolarHBondContact O-CG 3.19Å; E725-K729 PolarHBondContact O-N 3.46Å; E725-K729 WeakPolarHBondContact OE1-CE 3.15Å; E725-K729 IonicContact OE1-NZ 2.73Å; E725-K729 PolarHBondContact OE1-NZ 2.68Å; K726-K729 PolarHBondContact O-N 3.1Å; K726-K729 VanDerWaalsContact O-N 3.13Å; Q727-K729 VanDerWaalsContact C-N 3.34Å; Q727-K729 PolarHBondContact O-N 3.32Å; K729-E731 VanDerWaalsContact C-N 3.3Å; K729-E731 PolarHBondContact O-N 3.01Å; K729-Q732 PolarHBondContact O-N 2.97Å; K729-E733 PolarHBondContact O-N 2.87Å
730E89.6Confident90Very high104 Ų10498.3 Ų98.349%0.48646%0.462SS..Hα-helixtrans-61.1-37.9175.3-70.3175.7177.200111.7K726 Q727 R734K726-E730 WeakPolarHBondContact CE-OE1 3.29Å; K726-E730 HydrophobicContact CG-CG 4.47Å; K726-E730 IonicContact NZ-OE1 3.26Å; K726-E730 WeakPolarHBondContact O-CG 3.45Å; K726-E730 PolarHBondContact O-N 2.92Å; Q727-E730 PolarHBondContact O-N 3.17Å; E730-R734 VanDerWaalsContact O-CB 3.24Å; E730-R734 WeakPolarHBondContact O-CB 3.46Å; E730-R734 PolarHBondContact O-N 3.35Å
731E88.9Confident89Confident135 Ų13594.5 Ų94.563%0.63145%0.449SS*.Hα-helixtrans-68.5-40.3173.6-175.3170.1-135.200112.6Q727 K729 R734 E735Q727-E731 VanDerWaalsContact O-CB 3.32Å; Q727-E731 WeakPolarHBondContact O-CB 3.46Å; Q727-E731 PolarHBondContact O-N 2.87Å; K729-E731 VanDerWaalsContact C-N 3.3Å; K729-E731 PolarHBondContact O-N 3.01Å; E731-R734 CarbonylContact O-C 3.51Å; E731-R734 WeakPolarHBondContact O-CB 3.32Å; E731-R734 PolarHBondContact O-N 3.03Å; E731-E735 PolarHBondContact O-N 2.9Å
732Q91.1Very high88.1Confident105 Ų10599.7 Ų99.749%0.49147%0.468SS..Hα-helixtrans-65.7-45.1175.5-77.5173-10.900112.3R728 K729 R734 E735 I736R728-Q732 WeakPolarHBondContact O-CB 3.22Å; R728-Q732 VanDerWaalsContact O-CG 3.24Å; R728-Q732 WeakPolarHBondContact O-CG 3.42Å; R728-Q732 PolarHBondContact O-N 3.24Å; K729-Q732 PolarHBondContact O-N 2.97Å; Q732-R734 PolarHBondContact O-N 2.99Å; Q732-E735 PolarHBondContact O-N 3.23Å; Q732-I736 WeakPolarHBondContact O-CB 3.4Å; Q732-I736 WeakPolarHBondContact O-CD1 3.4Å; Q732-I736 VanDerWaalsContact O-CG1 3.26Å; Q732-I736 WeakPolarHBondContact O-CG1 3.44Å; Q732-I736 PolarHBondContact O-N 3.33Å
733E86.9Confident86.7Confident143 Ų14397.7 Ų97.767%0.66846%0.463SS*.Hα-helixtrans-58.2-40.5172.5-75-174.5-159.700111.2K729 L737K729-E733 PolarHBondContact O-N 2.87Å; E733-L737 WeakPolarHBondContact O-CB 3.4Å; E733-L737 PolarHBondContact O-N 3.33Å
734R84.3Confident84.9Confident67 Ų67104 Ų10425%0.25348%0.482SS..Hα-helixtrans-65.6-43.8175.2165.2173169.4109.7-4.2113.1E730 E731 Q732 L737 L738 M762 E766E730-R734 VanDerWaalsContact O-CB 3.24Å; E730-R734 WeakPolarHBondContact O-CB 3.46Å; E730-R734 PolarHBondContact O-N 3.35Å; E731-R734 CarbonylContact O-C 3.51Å; E731-R734 WeakPolarHBondContact O-CB 3.32Å; E731-R734 PolarHBondContact O-N 3.03Å; Q732-R734 PolarHBondContact O-N 2.99Å; R734-L737 PolarHBondContact O-N 3.45Å; R734-L738 VanDerWaalsContact O-CB 3.32Å; R734-L738 WeakPolarHBondContact O-CB 3.46Å; R734-L738 PolarHBondContact O-N 3.03Å; R734-M762 HydrophobicContact CB-CE 3.57Å; R734-M762 HydrophobicContact CB-SD 4.1Å; R734-M762 HydrophobicContact CG-CE 3.63Å; R734-M762 HydrophobicContact CG-SD 3.68Å; R734-M762 PolarHBondContact NH1-SD 3.45Å; R734-E766 IonicContact CZ-OE1 3.67Å; R734-E766 IonicContact CZ-OE2 2.82Å; R734-E766 IonicContact NE-OE1 2.87Å; R734-E766 IonicContact NH1-OE1 2.68Å; R734-E766 PolarHBondContact NH1-OE1 3.41Å; R734-E766 IonicContact NH1-OE2 2.7Å; R734-E766 PolarHBondContact NH1-OE2 3.23Å; R734-E766 IonicContact NH2-OE1 3.13Å; R734-E766 PolarHBondContact NH2-OE1 3.27Å; R734-E766 IonicContact NH2-OE2 3.53Å; R734-E766 PolarHBondContact NH2-OE2 2.9Å
735E86.8Confident83.3Confident106 Ų106103.8 Ų103.850%0.49549%0.488SS..Hα-helixtrans-62.5-46.4176.2-164.2-145.9130.500110.1E731 Q732 L737 L738 K739E731-E735 PolarHBondContact O-N 2.9Å; Q732-E735 PolarHBondContact O-N 3.23Å; E735-L737 VanDerWaalsContact C-N 3.33Å; E735-L737 PolarHBondContact O-N 3.04Å; E735-L738 PolarHBondContact O-N 3.49Å; E735-K739 WeakPolarHBondContact O-CB 3.25Å; E735-K739 PolarHBondContact O-N 3.1Å; E735-K739 IonicContact OE1-NZ 2.8Å; E735-K739 PolarHBondContact OE1-NZ 2.82Å
736I86.8Confident81.2Confident113 Ų113111.9 Ų111.958%0.57952%0.515SS*.Hα-helixtrans-57.9-46.4177.6-69.2165000110.6Q732 K739 A740Q732-I736 WeakPolarHBondContact O-CB 3.4Å; Q732-I736 WeakPolarHBondContact O-CD1 3.4Å; Q732-I736 VanDerWaalsContact O-CG1 3.26Å; Q732-I736 WeakPolarHBondContact O-CG1 3.44Å; Q732-I736 PolarHBondContact O-N 3.33Å; I736-K739 PolarHBondContact O-N 3.46Å; I736-A740 WeakPolarHBondContact O-CB 3.34Å; I736-A740 PolarHBondContact O-N 3.27Å
737L79.1Confident79.3Confident17 Ų17114.4 Ų114.49%0.08953%0.529CS..Hα-helixtrans-64-43.4179-162.478.5000112.1E733 R734 E735 A741 L755 K758 A759 M762E733-L737 WeakPolarHBondContact O-CB 3.4Å; E733-L737 PolarHBondContact O-N 3.33Å; R734-L737 PolarHBondContact O-N 3.45Å; E735-L737 VanDerWaalsContact C-N 3.33Å; E735-L737 PolarHBondContact O-N 3.04Å; L737-A741 VanDerWaalsContact O-CB 3.31Å; L737-A741 WeakPolarHBondContact O-CB 3.48Å; L737-A741 PolarHBondContact O-N 3.03Å; L737-L755 HydrophobicContact CD1-CD1 3.41Å; L737-L755 VanDerWaalsContact CD1-CD1 3.41Å; L737-L755 HydrophobicContact CD1-CG 3.64Å; L737-K758 HydrophobicContact CD1-CD 4.11Å; L737-K758 HydrophobicContact CD2-CB 4.23Å; L737-K758 HydrophobicContact CD2-CD 4.15Å; L737-K758 HydrophobicContact CD2-CG 3.95Å; L737-A759 HydrophobicContact CD2-CB 4.12Å; L737-A759 HydrophobicContact CG-CB 4.11Å; L737-M762 HydrophobicContact CB-CE 4.36Å; L737-M762 HydrophobicContact CD2-CE 3.64Å
738L80.8Confident77.3Confident90 Ų90114.4 Ų114.447%0.47153%0.529SS..Hα-helixtrans-66.9-38.5177.6-177.162.6000112R734 E735 A741 K742R734-L738 VanDerWaalsContact O-CB 3.32Å; R734-L738 WeakPolarHBondContact O-CB 3.46Å; R734-L738 PolarHBondContact O-N 3.03Å; E735-L738 PolarHBondContact O-N 3.49Å; L738-A741 PolarHBondContact O-N 3.33Å; L738-K742 WeakPolarHBondContact O-CB 3.43Å; L738-K742 PolarHBondContact O-N 3.32Å
739K85.4Confident76.3Confident125 Ų125112.2 Ų112.254%0.54353%0.527SS..Hα-helixtrans-65.8-46.7177.2-169.8179.5-151147.80110.9E735 I736 A741 K742 S743E735-K739 WeakPolarHBondContact O-CB 3.25Å; E735-K739 PolarHBondContact O-N 3.1Å; E735-K739 IonicContact OE1-NZ 2.8Å; E735-K739 PolarHBondContact OE1-NZ 2.82Å; I736-K739 PolarHBondContact O-N 3.46Å; K739-A741 PolarHBondContact O-N 2.86Å; K739-K742 PolarHBondContact O-N 2.66Å; K739-K742 VanDerWaalsContact O-N 3.12Å; K739-S743 PolarHBondContact O-N 3.25Å; K739-S743 VanDerWaalsContact O-N 3.12Å; K739-S743 PolarHBondContact O-OG 3.46Å
740A79.5Confident75.3Confident26 Ų26111.9 Ų111.922%0.21554%0.535CS..Hα-helixtrans-65.1-37.3175.600000112.7I736 K742 S743 Q752 L755I736-A740 WeakPolarHBondContact O-CB 3.34Å; I736-A740 PolarHBondContact O-N 3.27Å; A740-K742 VanDerWaalsContact C-N 3.26Å; A740-K742 PolarHBondContact O-N 3.46Å; A740-S743 WeakPolarHBondContact O-CB 3.49Å; A740-S743 PolarHBondContact O-N 3.4Å; A740-Q752 PolarHBondContact O-NE2 2.87Å; A740-L755 HydrophobicContact CB-CD2 3.54Å
741A74.6Confident74.6Confident28 Ų28113.9 Ų113.923%0.23154%0.544CS..Hα-helixtrans-67.4-24.1172.700000113.6L737 L738 K739 K756 A759L737-A741 VanDerWaalsContact O-CB 3.31Å; L737-A741 WeakPolarHBondContact O-CB 3.48Å; L737-A741 PolarHBondContact O-N 3.03Å; L738-A741 PolarHBondContact O-N 3.33Å; K739-A741 PolarHBondContact O-N 2.86Å; A741-K756 HydrophobicContact CB-CB 4.23Å; A741-A759 HydrophobicContact CB-CB 3.63Å
742K77.6Confident73.9Confident176 Ų176109.4 Ų109.477%0.76552%0.524SS*.Hα-helixtrans-89-12.6177.2-165172.7-178.8-1800113.2L738 K739 A740 R744L738-K742 WeakPolarHBondContact O-CB 3.43Å; L738-K742 PolarHBondContact O-N 3.32Å; K739-K742 PolarHBondContact O-N 2.66Å; K739-K742 VanDerWaalsContact O-N 3.12Å; A740-K742 VanDerWaalsContact C-N 3.26Å; A740-K742 PolarHBondContact O-N 3.46Å; K742-R744 PolarHBondContact O-N 2.97Å
743S67.4Low73.3Confident67 Ų67108.6 Ų108.647%0.46952%0.522SS..  trans-66.5113.2179.1-68.90000112.5K739 A740 S745 Q752K739-S743 PolarHBondContact O-N 3.25Å; K739-S743 VanDerWaalsContact O-N 3.12Å; K739-S743 PolarHBondContact O-OG 3.46Å; A740-S743 WeakPolarHBondContact O-CB 3.49Å; A740-S743 PolarHBondContact O-N 3.4Å; S743-S745 VanDerWaalsContact C-N 3.25Å; S743-S745 PolarHBondContact O-N 3.47Å; S743-Q752 PolarHBondContact O-NE2 3.3Å
744R57.8Low73Confident249 Ų249110.8 Ų110.894%0.9452%0.524SS*.  trans-79.460-179.8-62.9-178.6177-179.4-1.8112.9K742K742-R744 PolarHBondContact O-N 2.97Å
745S59.8Low72.7Confident76 Ų76110.8 Ų110.853%0.53153%0.529SS..  trans-66.8139.9161.9-1720000109.1S743 Q747S743-S745 VanDerWaalsContact C-N 3.25Å; S743-S745 PolarHBondContact O-N 3.47Å; S745-Q747 PolarHBondContact OG-O 2.87Å
746R51.8Low72.5Confident257 Ų257110.2 Ų110.297%0.9753%0.525SS*.SBendtrans-100.63.2-174.3-154.3177.4-179.2-124.40.4113.8
747Q53.8Low72.3Confident173 Ų173110.9 Ų110.981%0.80853%0.525SS*.SBendtrans-131.4107.6174.1-168.8160.7-21.200106.1S745 D749S745-Q747 PolarHBondContact OG-O 2.87Å; Q747-D749 PolarHBondContact O-N 2.87Å
748E53.7Low72.6Confident109 Ų109116 Ų11651%0.50955%0.547SS..  trans-88.5106.8-160.7-164.1162-152.100110.9K756E748-K756 IonicContact OE1-NZ 3.46Å; E748-K756 PolarHBondContact OE1-NZ 2.99Å
749D73.2Confident72.7Confident85 Ų85112.2 Ų112.246%0.45553%0.528SS..  trans-65.6134.3170.3-173.2-40.4000109.8Q747 E751 Q752 L753Q747-D749 PolarHBondContact O-N 2.87Å; D749-E751 PolarHBondContact O-N 3Å; D749-E751 VanDerWaalsContact O-N 3.15Å; D749-E751 WeakPolarHBondContact OD1-CB 3.14Å; D749-E751 PolarHBondContact OD1-N 2.9Å; D749-Q752 HydrophobicContact CB-CB 4.32Å; D749-Q752 PolarHBondContact O-N 2.9Å; D749-L753 PolarHBondContact O-N 3.29Å
750P73.4Confident72.8Confident98 Ų98113.5 Ų113.564%0.63653%0.534SS*.Hα-helixtrans-53.9-29.9174.922.6-34.7000113.8R754P750-R754 WeakPolarHBondContact O-CG 3.38Å; P750-R754 PolarHBondContact O-N 2.73Å
751E74.3Confident73.2Confident146 Ų146118 Ų11868%0.68255%0.551SS**Hα-helixtrans-67.9-40.5174-61.3-142.1135.700111.9D749 L753 R754 L755D749-E751 PolarHBondContact O-N 3Å; D749-E751 VanDerWaalsContact O-N 3.15Å; D749-E751 WeakPolarHBondContact OD1-CB 3.14Å; D749-E751 PolarHBondContact OD1-N 2.9Å; E751-L753 VanDerWaalsContact C-N 3.31Å; E751-L753 PolarHBondContact O-N 2.95Å; E751-R754 PolarHBondContact O-N 3.2Å; E751-L755 WeakPolarHBondContact O-CB 3.31Å; E751-L755 PolarHBondContact O-N 2.8Å
752Q74.1Confident73.5Confident41 Ų41119.2 Ų119.219%0.19255%0.552CS.*Hα-helixtrans-65.3-36.2179-162.2-177.45.100111.6A740 S743 D749 L755 K756A740-Q752 PolarHBondContact O-NE2 2.87Å; S743-Q752 PolarHBondContact O-NE2 3.3Å; D749-Q752 HydrophobicContact CB-CB 4.32Å; D749-Q752 PolarHBondContact O-N 2.9Å; Q752-L755 PolarHBondContact O-N 3.22Å; Q752-K756 VanDerWaalsContact O-CB 3.24Å; Q752-K756 WeakPolarHBondContact O-CB 3.27Å; Q752-K756 PolarHBondContact O-N 2.68Å
753L78.6Confident73.9Confident88 Ų88115.6 Ų115.646%0.46154%0.538SS..Hα-helixtrans-63.3-43173.7-177.761.7000111.9D749 E751 L755 K756 Q757D749-L753 PolarHBondContact O-N 3.29Å; E751-L753 VanDerWaalsContact C-N 3.31Å; E751-L753 PolarHBondContact O-N 2.95Å; L753-L755 VanDerWaalsContact C-N 3.35Å; L753-K756 PolarHBondContact O-N 3.47Å; L753-Q757 PolarHBondContact O-N 2.7Å
754R80.4Confident75Confident189 Ų189119 Ų11971%0.71355%0.547SS*.Hα-helixtrans-65.4-38.1175.7-65.9178.494.9166.58.6111.8P750 E751 Q757 K758P750-R754 WeakPolarHBondContact O-CG 3.38Å; P750-R754 PolarHBondContact O-N 2.73Å; E751-R754 PolarHBondContact O-N 3.2Å; R754-Q757 PolarHBondContact O-N 3.48Å; R754-K758 WeakPolarHBondContact O-CB 3.47Å; R754-K758 PolarHBondContact O-N 2.79Å
755L78.3Confident76.5Confident68 Ų68112.8 Ų112.836%0.35653%0.531SS..Hα-helixtrans-65.3-41.3177.5-150.969.5000111.8L737 A740 E751 Q752 L753 K758 A759L737-L755 HydrophobicContact CD1-CD1 3.41Å; L737-L755 VanDerWaalsContact CD1-CD1 3.41Å; L737-L755 HydrophobicContact CD1-CG 3.64Å; A740-L755 HydrophobicContact CB-CD2 3.54Å; E751-L755 WeakPolarHBondContact O-CB 3.31Å; E751-L755 PolarHBondContact O-N 2.8Å; Q752-L755 PolarHBondContact O-N 3.22Å; L753-L755 VanDerWaalsContact C-N 3.35Å; L755-K758 PolarHBondContact O-N 3.47Å; L755-A759 PolarHBondContact O-N 3.08Å
756K81.7Confident77.8Confident93 Ų93112 Ų11240%0.40452%0.52SS..Hα-helixtrans-66.3-36.9173.5173.8175.2158.3-167.70112.7A741 E748 Q752 L753 K760A741-K756 HydrophobicContact CB-CB 4.23Å; E748-K756 IonicContact OE1-NZ 3.46Å; E748-K756 PolarHBondContact OE1-NZ 2.99Å; Q752-K756 VanDerWaalsContact O-CB 3.24Å; Q752-K756 WeakPolarHBondContact O-CB 3.27Å; Q752-K756 PolarHBondContact O-N 2.68Å; L753-K756 PolarHBondContact O-N 3.47Å; K756-K760 PolarHBondContact O-N 3Å
757Q83.7Confident79.6Confident127 Ų127104.7 Ų104.759%0.59350%0.499SS*.Hα-helixtrans-64.6-49.5169.8-179.3176.2-10.400111.4L753 R754 A759 K760 E761L753-Q757 PolarHBondContact O-N 2.7Å; R754-Q757 PolarHBondContact O-N 3.48Å; Q757-A759 VanDerWaalsContact C-N 3.28Å; Q757-A759 PolarHBondContact O-N 3.32Å; Q757-K760 PolarHBondContact O-N 2.89Å; Q757-K760 VanDerWaalsContact O-N 3.1Å; Q757-E761 PolarHBondContact O-N 3.43Å
758K85.4Confident81.2Confident126 Ų12699.1 Ų99.155%0.54848%0.482SS..Hα-helixtrans-58.3-38.1178.2-167.8-174176.9-172.90112.1L737 R754 L755 M762L737-K758 HydrophobicContact CD1-CD 4.11Å; L737-K758 HydrophobicContact CD2-CB 4.23Å; L737-K758 HydrophobicContact CD2-CD 4.15Å; L737-K758 HydrophobicContact CD2-CG 3.95Å; R754-K758 WeakPolarHBondContact O-CB 3.47Å; R754-K758 PolarHBondContact O-N 2.79Å; L755-K758 PolarHBondContact O-N 3.47Å; K758-M762 WeakPolarHBondContact O-CB 3.32Å; K758-M762 PolarHBondContact O-N 3.03Å
759A82.9Confident83Confident9 Ų998.6 Ų98.67%0.07448%0.48CS..Hα-helixtrans-63-44.9174.300000112.6L737 A741 L755 Q757 Q763L737-A759 HydrophobicContact CD2-CB 4.12Å; L737-A759 HydrophobicContact CG-CB 4.11Å; A741-A759 HydrophobicContact CB-CB 3.63Å; L755-A759 PolarHBondContact O-N 3.08Å; Q757-A759 VanDerWaalsContact C-N 3.28Å; Q757-A759 PolarHBondContact O-N 3.32Å; A759-Q763 WeakPolarHBondContact O-CB 3.36Å; A759-Q763 PolarHBondContact O-N 2.99Å
760K86.4Confident83.9Confident152 Ų15297.2 Ų97.266%0.66147%0.472SS*.Hα-helixtrans-66.2-40.8177.7-172.6-178.2177.9-174.30112.1K756 Q757 Q763 Q764K756-K760 PolarHBondContact O-N 3Å; Q757-K760 PolarHBondContact O-N 2.89Å; Q757-K760 VanDerWaalsContact O-N 3.1Å; K760-Q763 PolarHBondContact O-N 3.15Å; K760-Q764 WeakPolarHBondContact O-CB 3.41Å; K760-Q764 PolarHBondContact O-N 2.79Å
761E87.9Confident84.8Confident121 Ų121101.6 Ų101.657%0.56548%0.476SS*.Hα-helixtrans-63.7-46.9176.7-175.5177.7176.300111.6Q757 Q763 Q764 L765Q757-E761 PolarHBondContact O-N 3.43Å; E761-Q763 PolarHBondContact O-N 3.37Å; E761-Q764 WeakPolarHBondContact O-CB 3.42Å; E761-Q764 PolarHBondContact O-N 3.39Å; E761-Q764 VanDerWaalsContact O-N 3.17Å; E761-L765 WeakPolarHBondContact O-CB 3.41Å; E761-L765 PolarHBondContact O-N 2.72Å
762M82.2Confident85.7Confident54 Ų54100.5 Ų100.527%0.26647%0.471SS..Hα-helixtrans-65.9-36.1177.3178.7-106.6-77.900112.6R734 L737 K758 L765 E766R734-M762 HydrophobicContact CB-CE 3.57Å; R734-M762 HydrophobicContact CB-SD 4.1Å; R734-M762 HydrophobicContact CG-CE 3.63Å; R734-M762 HydrophobicContact CG-SD 3.68Å; R734-M762 PolarHBondContact NH1-SD 3.45Å; L737-M762 HydrophobicContact CB-CE 4.36Å; L737-M762 HydrophobicContact CD2-CE 3.64Å; K758-M762 WeakPolarHBondContact O-CB 3.32Å; K758-M762 PolarHBondContact O-N 3.03Å; M762-L765 PolarHBondContact O-N 2.89Å; M762-E766 WeakPolarHBondContact O-CB 3.3Å; M762-E766 PolarHBondContact O-N 3.02Å
763Q84.8Confident86.6Confident99 Ų99105.2 Ų105.246%0.46349%0.487SS..Hα-helixtrans-63.5-40.8170.9-172.7179.736.200112A759 K760 E761 L767A759-Q763 WeakPolarHBondContact O-CB 3.36Å; A759-Q763 PolarHBondContact O-N 2.99Å; K760-Q763 PolarHBondContact O-N 3.15Å; E761-Q763 PolarHBondContact O-N 3.37Å; Q763-L767 HydrophobicContact CG-CD1 4.36Å; Q763-L767 WeakPolarHBondContact O-CG 3.4Å; Q763-L767 PolarHBondContact O-N 2.86Å; Q763-L767 VanDerWaalsContact O-N 3.08Å
764Q89.9Confident87.3Confident139 Ų139106.3 Ų106.365%0.6549%0.489SS*.Hα-helixtrans-66.8-40.5176.8-174.6174.18.200112K760 E761 L767 A768K760-Q764 WeakPolarHBondContact O-CB 3.41Å; K760-Q764 PolarHBondContact O-N 2.79Å; E761-Q764 WeakPolarHBondContact O-CB 3.42Å; E761-Q764 PolarHBondContact O-N 3.39Å; E761-Q764 VanDerWaalsContact O-N 3.17Å; Q764-L767 PolarHBondContact O-N 3.35Å; Q764-A768 WeakPolarHBondContact O-CB 3.45Å; Q764-A768 PolarHBondContact O-N 2.73Å
765L89.9Confident87.9Confident119 Ų11999.9 Ų99.962%0.62348%0.477SS*.Hα-helixtrans-64.7-42.6177.3-178.263.2000112E761 M762 A768 Q769E761-L765 WeakPolarHBondContact O-CB 3.41Å; E761-L765 PolarHBondContact O-N 2.72Å; M762-L765 PolarHBondContact O-N 2.89Å; L765-A768 PolarHBondContact O-N 3.22Å; L765-Q769 WeakPolarHBondContact O-CB 3.48Å; L765-Q769 PolarHBondContact O-N 3.03Å
766E86.8Confident88.6Confident60 Ų60101.1 Ų101.128%0.2848%0.484SS..Hα-helixtrans-62.4-48.6174.4177.4-160.6-129.700111.6R734 M762 A768 Q769 I770R734-E766 IonicContact CZ-OE1 3.67Å; R734-E766 IonicContact CZ-OE2 2.82Å; R734-E766 IonicContact NE-OE1 2.87Å; R734-E766 IonicContact NH1-OE1 2.68Å; R734-E766 PolarHBondContact NH1-OE1 3.41Å; R734-E766 IonicContact NH1-OE2 2.7Å; R734-E766 PolarHBondContact NH1-OE2 3.23Å; R734-E766 IonicContact NH2-OE1 3.13Å; R734-E766 PolarHBondContact NH2-OE1 3.27Å; R734-E766 IonicContact NH2-OE2 3.53Å; R734-E766 PolarHBondContact NH2-OE2 2.9Å; M762-E766 WeakPolarHBondContact O-CB 3.3Å; M762-E766 PolarHBondContact O-N 3.02Å; E766-A768 VanDerWaalsContact C-N 3.25Å; E766-A768 PolarHBondContact O-N 3.28Å; E766-Q769 CarbonylContact O-C 3.56Å; E766-Q769 WeakPolarHBondContact O-CA 3.45Å; E766-Q769 WeakPolarHBondContact O-CB 3.32Å; E766-Q769 PolarHBondContact O-N 3.28Å; E766-I770 HydrophobicContact CG-CD1 3.88Å; E766-I770 HydrophobicContact CG-CG1 4.38Å; E766-I770 WeakPolarHBondContact O-CG1 3.44Å; E766-I770 PolarHBondContact O-N 2.87Å
767L89.3Confident89.1Confident103 Ų103102.5 Ų102.554%0.53950%0.495SS..Hα-helixtrans-60-36.9177.5-74.5169.5000112Q763 Q764 R771Q763-L767 HydrophobicContact CG-CD1 4.36Å; Q763-L767 WeakPolarHBondContact O-CG 3.4Å; Q763-L767 PolarHBondContact O-N 2.86Å; Q763-L767 VanDerWaalsContact O-N 3.08Å; Q764-L767 PolarHBondContact O-N 3.35Å; L767-R771 WeakPolarHBondContact O-CB 3.47Å; L767-R771 PolarHBondContact O-N 2.89Å
768A88.5Confident89.5Confident55 Ų55100.9 Ų100.946%0.45549%0.494SS..Hα-helixtrans-66.1-40.7172.200000112.3Q764 L765 E766 R771 Q772Q764-A768 WeakPolarHBondContact O-CB 3.45Å; Q764-A768 PolarHBondContact O-N 2.73Å; L765-A768 PolarHBondContact O-N 3.22Å; E766-A768 VanDerWaalsContact C-N 3.25Å; E766-A768 PolarHBondContact O-N 3.28Å; A768-R771 PolarHBondContact O-N 3.09Å; A768-Q772 WeakPolarHBondContact O-CB 3.28Å; A768-Q772 PolarHBondContact O-N 3.48Å
769Q92.3Very high89.7Confident98 Ų9897.1 Ų97.146%0.45849%0.486SS..Hα-helixtrans-67.9-38.9177.3-167.7-165.494.900112.3L765 E766 Q772 R773L765-Q769 WeakPolarHBondContact O-CB 3.48Å; L765-Q769 PolarHBondContact O-N 3.03Å; E766-Q769 CarbonylContact O-C 3.56Å; E766-Q769 WeakPolarHBondContact O-CA 3.45Å; E766-Q769 WeakPolarHBondContact O-CB 3.32Å; E766-Q769 PolarHBondContact O-N 3.28Å; Q769-Q772 PolarHBondContact O-N 2.98Å; Q769-R773 WeakPolarHBondContact O-CB 3.46Å; Q769-R773 PolarHBondContact O-N 3.12Å
770I90.4Very high89.7Confident56 Ų56102.5 Ų102.529%0.28751%0.513SS..Hα-helixtrans-60.9-53.7173-69.7168.6000109.2E766 Q772 R773 E774E766-I770 HydrophobicContact CG-CD1 3.88Å; E766-I770 HydrophobicContact CG-CG1 4.38Å; E766-I770 WeakPolarHBondContact O-CG1 3.44Å; E766-I770 PolarHBondContact O-N 2.87Å; I770-Q772 VanDerWaalsContact C-N 3.25Å; I770-Q772 PolarHBondContact O-N 3.23Å; I770-R773 WeakPolarHBondContact O-CB 3.46Å; I770-R773 PolarHBondContact O-N 2.8Å; I770-E774 HydrophobicContact CG2-CG 4.32Å; I770-E774 WeakPolarHBondContact CG2-OE1 3.14Å; I770-E774 WeakPolarHBondContact O-CG 3.4Å; I770-E774 PolarHBondContact O-N 3.43Å
771R93.5Very high89.6Confident191 Ų19199 Ų9972%0.72151%0.513SS*.Hα-helixtrans-55-39.1175.3173177.4-79.8-176.5-6.1112.6L767 A768 A775L767-R771 WeakPolarHBondContact O-CB 3.47Å; L767-R771 PolarHBondContact O-N 2.89Å; A768-R771 PolarHBondContact O-N 3.09Å; R771-A775 VanDerWaalsContact O-CB 3.27Å; R771-A775 WeakPolarHBondContact O-CB 3.42Å; R771-A775 PolarHBondContact O-N 3.33Å
772Q93Very high89.5Confident123 Ų12397.3 Ų97.358%0.57552%0.519SS*.Hα-helixtrans-68.2-40.7176.9-169.5-178.430.800111.9A768 Q769 I770 A775 N776A768-Q772 WeakPolarHBondContact O-CB 3.28Å; A768-Q772 PolarHBondContact O-N 3.48Å; Q769-Q772 PolarHBondContact O-N 2.98Å; I770-Q772 VanDerWaalsContact C-N 3.25Å; I770-Q772 PolarHBondContact O-N 3.23Å; Q772-A775 PolarHBondContact O-N 3.45Å; Q772-N776 WeakPolarHBondContact O-CB 3.49Å; Q772-N776 VanDerWaalsContact O-CG 3.25Å; Q772-N776 PolarHBondContact O-N 2.89Å; Q772-N776 PolarHBondContact O-ND2 3.13Å
773R93.2Very high89.3Confident140 Ų14099.8 Ų99.853%0.52853%0.532SS..Hα-helixtrans-65.2-42.1176.2-168-173.3-67.1110.4-2111.3Q769 I770 N776 L777Q769-R773 WeakPolarHBondContact O-CB 3.46Å; Q769-R773 PolarHBondContact O-N 3.12Å; I770-R773 WeakPolarHBondContact O-CB 3.46Å; I770-R773 PolarHBondContact O-N 2.8Å; R773-N776 PolarHBondContact O-N 3.34Å; R773-L777 WeakPolarHBondContact O-CB 3.35Å; R773-L777 PolarHBondContact O-N 3.35Å
774E91.9Very high88.8Confident110 Ų11096.8 Ų96.851%0.51453%0.528SS..Hα-helixtrans-63.2-45.5173.6-70.4169.7163.600112I770 N776 L777 T778I770-E774 HydrophobicContact CG2-CG 4.32Å; I770-E774 WeakPolarHBondContact CG2-OE1 3.14Å; I770-E774 WeakPolarHBondContact O-CG 3.4Å; I770-E774 PolarHBondContact O-N 3.43Å; E774-N776 VanDerWaalsContact C-N 3.34Å; E774-N776 PolarHBondContact O-N 2.95Å; E774-L777 PolarHBondContact O-N 2.87Å; E774-T778 WeakPolarHBondContact O-CB 3.45Å; E774-T778 PolarHBondContact O-N 3.11Å; E774-T778 PolarHBondContact O-OG1 3.03Å
775A92.9Very high87.8Confident54 Ų5496.8 Ų96.845%0.44654%0.54SS..Hα-helixtrans-61.6-41.6176.200000111.8R771 Q772 T778 A779R771-A775 VanDerWaalsContact O-CB 3.27Å; R771-A775 WeakPolarHBondContact O-CB 3.42Å; R771-A775 PolarHBondContact O-N 3.33Å; Q772-A775 PolarHBondContact O-N 3.45Å; A775-T778 PolarHBondContact O-N 2.61Å; A775-A779 VanDerWaalsContact O-CB 3.32Å; A775-A779 WeakPolarHBondContact O-CB 3.38Å; A775-A779 PolarHBondContact O-N 3.03Å
776N93.1Very high86.4Confident94 Ų94101.2 Ų101.250%0.50355%0.548SS..Hα-helixtrans-64.8-42.6174.7-74-22.5000112.2Q772 R773 E774 A779 L780Q772-N776 WeakPolarHBondContact O-CB 3.49Å; Q772-N776 VanDerWaalsContact O-CG 3.25Å; Q772-N776 PolarHBondContact O-N 2.89Å; Q772-N776 PolarHBondContact O-ND2 3.13Å; R773-N776 PolarHBondContact O-N 3.34Å; E774-N776 VanDerWaalsContact C-N 3.34Å; E774-N776 PolarHBondContact O-N 2.95Å; N776-A779 PolarHBondContact O-N 2.96Å; N776-L780 WeakPolarHBondContact O-CG 3.33Å; N776-L780 PolarHBondContact O-N 3.5Å
777L92.6Very high84.8Confident123 Ų123107.7 Ų107.764%0.64458%0.576SS**Hα-helixtrans-63.1-43.6175.9-178.562.8000111.5R773 E774 L780 A781R773-L777 WeakPolarHBondContact O-CB 3.35Å; R773-L777 PolarHBondContact O-N 3.35Å; E774-L777 PolarHBondContact O-N 2.87Å; L777-L780 PolarHBondContact O-N 3.3Å; L777-A781 PolarHBondContact O-N 3.4Å
778T91.7Very high83.1Confident93 Ų93112.1 Ų112.157%0.57159%0.59SS**Hα-helixtrans-63.9-41.3176.3-54.80000111.3E774 A775 A781 A782E774-T778 WeakPolarHBondContact O-CB 3.45Å; E774-T778 PolarHBondContact O-N 3.11Å; E774-T778 PolarHBondContact O-OG1 3.03Å; A775-T778 PolarHBondContact O-N 2.61Å; T778-A781 PolarHBondContact O-N 3.48Å; T778-A782 VanDerWaalsContact O-CB 3.3Å; T778-A782 WeakPolarHBondContact O-CB 3.42Å; T778-A782 PolarHBondContact O-N 2.85Å
779A89.8Confident81.4Confident47 Ų47120.6 Ų120.639%0.38861%0.61SS.*Hα-helixtrans-63.8-42.4175.200000112.1A775 N776 A782 I783A775-A779 VanDerWaalsContact O-CB 3.32Å; A775-A779 WeakPolarHBondContact O-CB 3.38Å; A775-A779 PolarHBondContact O-N 3.03Å; N776-A779 PolarHBondContact O-N 2.96Å; A779-A782 PolarHBondContact O-N 3.3Å; A779-I783 WeakPolarHBondContact O-CD1 3.39Å; A779-I783 WeakPolarHBondContact O-CG1 3.42Å; A779-I783 PolarHBondContact O-N 2.94Å
780L83.7Confident78.7Confident122 Ų122127 Ų12764%0.63963%0.631SS**Hα-helixtrans-63.4-41175.2-72.5169.6000112.1N776 L777N776-L780 WeakPolarHBondContact O-CG 3.33Å; N776-L780 PolarHBondContact O-N 3.5Å; L777-L780 PolarHBondContact O-N 3.3Å
781A85.1Confident76.7Confident79 Ų79130.6 Ų130.665%0.65366%0.655SS**Hα-helixtrans-63.4-43.3173.500000112.1L777 T778 G784L777-A781 PolarHBondContact O-N 3.4Å; T778-A781 PolarHBondContact O-N 3.48Å; A781-G784 PolarHBondContact O-N 3.4Å
782A83.9Confident73.8Confident85 Ų85128.9 Ų128.970%0.70266%0.66SS**Hα-helixtrans-71.1-26.5-179.900000114.1T778 A779 G784T778-A782 VanDerWaalsContact O-CB 3.3Å; T778-A782 WeakPolarHBondContact O-CB 3.42Å; T778-A782 PolarHBondContact O-N 2.85Å; A779-A782 PolarHBondContact O-N 3.3Å; A782-G784 VanDerWaalsContact C-N 3.28Å
783I77.9Confident70.9Confident106 Ų106128.3 Ų128.354%0.54467%0.67SS.*Hα-helixtrans-66.3-33.3172.4-75.3162.3000111.2A779A779-I783 WeakPolarHBondContact O-CD1 3.39Å; A779-I783 WeakPolarHBondContact O-CG1 3.42Å; A779-I783 PolarHBondContact O-N 2.94Å
784G74.9Confident68.6Low35 Ų35127.6 Ų127.636%0.36168%0.684SS.*  trans61.7-174.4175.800000115.3A781 A782 R786A781-G784 PolarHBondContact O-N 3.4Å; A782-G784 VanDerWaalsContact C-N 3.28Å; G784-R786 VanDerWaalsContact C-N 3.25Å; G784-R786 PolarHBondContact O-N 3.5Å
785P68.9Low66.1Low139 Ų139130.5 Ų130.590%0.90370%0.702SS**SBendtrans-69.676.8175.1-19.934.5000111.9K787P785-K787 VanDerWaalsContact C-N 3.34Å; P785-K787 PolarHBondContact O-N 2.92Å
786R60.8Low63.3Low212 Ų212133.4 Ų133.480%0.872%0.719SS**  trans-68.884-172.8-167.2175.7-177.6-177.91.8112.6G784 K788G784-R786 VanDerWaalsContact C-N 3.25Å; G784-R786 PolarHBondContact O-N 3.5Å; R786-K788 PolarHBondContact O-N 3.24Å
787K53.2Low60.6Low197 Ų197132.1 Ų132.186%0.85773%0.728SS**  trans-48.4107.7167.5-173.4173.9-175.8175.20108.9P785 R789P785-K787 VanDerWaalsContact C-N 3.34Å; P785-K787 PolarHBondContact O-N 2.92Å; K787-R789 PolarHBondContact O-N 3.22Å
788K53.4Low57.9Low196 Ų196131.4 Ų131.485%0.85274%0.74SS**  trans-64.294178.2-77.8-166.8176.4-174.30109.6R786 R790R786-K788 PolarHBondContact O-N 3.24Å; K788-R790 PolarHBondContact O-N 3.02Å
789R53.9Low55.2Low232 Ų232132.3 Ų132.388%0.87575%0.75SS**  trans-57.2122.8163.3-163.2-173.6-62.2176.40.5106.5K787 T791K787-R789 PolarHBondContact O-N 3.22Å; R789-T791 PolarHBondContact O-N 3.23Å
790R34.4Very low52.6Low233 Ų233134.7 Ų134.788%0.87977%0.77SS**  trans-68.3113.4173.8-68.5-74.2-174.8162.52.2107.1K788 D792K788-R790 PolarHBondContact O-N 3.02Å; R790-D792 PolarHBondContact O-N 3.48Å
791T47.8Very low50.4Low132 Ų132137.6 Ų137.681%0.8178%0.78SS**  trans-75.597.7160.7-52.60000106R789R789-T791 PolarHBondContact O-N 3.23Å
792D34.2Very low47.9Very low154 Ų154137.5 Ų137.582%0.82479%0.786SS**  trans166.390.3154.5-84.4-22.3000109.9R790R790-D792 PolarHBondContact O-N 3.48Å
793S31.2Very low45.7Very low112 Ų112139.5 Ų139.578%0.78380%0.795SS**  trans-170.6136155.6-176.70000109.4
794P44.4Very low43.4Very low125 Ų125138.3 Ų138.381%0.81281%0.809SS**  trans-74.2173.8171.631.9-34.7000112.9
795L39.4Very low41.5Very low170 Ų170145.7 Ų145.789%0.8984%0.839SS**  trans-79.6140.9-164.118068.3000115.3
796S34.3Very low39.7Very low115 Ų115143 Ų14380%0.80484%0.836SS**  trans-153.6158140.5-1620000110.3
797G36.1Very low38.7Very low68 Ų68138.8 Ų138.870%0.70184%0.839SS**  trans-86-174.2-174.500000115.2
798A36Very low37.6Very low108 Ų108135.1 Ų135.189%0.89384%0.838SS**  cis-153.8-1797.700000113.9
799S35.3Very low36.9Very low112 Ų112134.7 Ų134.778%0.78384%0.839SS**  trans-46.1144.4-173.2-171.70000119.6
800A36Very low36.8Very low97 Ų97129.3 Ų129.380%0.80284%0.835SS**  trans-159.6144.6132.200000111.1
801E37.8Very low36.7Very low183 Ų183121.9 Ų121.986%0.85583%0.831SS**  trans-87.7160.2-177.7-77.2-72.8133.100113.7
802G32Very low36.4Very low76 Ų76119.8 Ų119.878%0.78484%0.835SS**  trans164.696.7169.500000115.6
803S36.8Very low36.4Very low128 Ų128118.1 Ų118.190%0.89584%0.836SS**  trans-91.8146.8177-72.10000113.4
804G29.8Very low37.1Very low80 Ų80118.1 Ų118.183%0.82584%0.836SS**  trans-174.8124.5170.500000113.2
805L36.8Very low36.6Very low191 Ų191115.8 Ų115.8100%183%0.834SS**  trans-102.6145.5177.7-79.4159.2000111
806G29.1Very low37Very low81 Ų81117.2 Ų117.284%0.83584%0.836SS**  trans-164.2134.817200000110.8
807S39.7Very low37Very low124 Ų124115 Ų11587%0.86783%0.832SS**  trans-123.7137-171.3178.50000111.7
808S30.9Very low36.9Very low120 Ų120117 Ų11784%0.83984%0.835SS**  trans-168.4156.6147.448.20000113.2
809Q38.3Very low37.2Very low187 Ų187123.4 Ų123.487%0.87484%0.836SS**  trans-63.8-173.9-164-105.2179.7-11100118.4
810P53Low37.6Very low119 Ų119126 Ų12677%0.77384%0.836SS**  trans-92156.4-157.637.2-37.9000115.3
811G31.8Very low37.8Very low78 Ų78131.1 Ų131.180%0.80484%0.84SS**  trans-148.1135.7162.400000109.8
812G41.6Very low38.3Very low87 Ų87131.5 Ų131.590%0.89784%0.844SS**  trans-84.6139.617700000111.8
813S34.8Very low39.2Very low120 Ų120138.7 Ų138.784%0.83985%0.848SS**  trans-152.4143.2158.5-1710000110.7G815S813-G815 PolarHBondContact O-N 3.23Å; S813-G815 VanDerWaalsContact O-N 3.13Å
814S45.9Very low40Very low112 Ų112141.2 Ų141.278%0.78385%0.846SS**  trans-7792.3-175.651.20000111.8Q816S814-Q816 PolarHBondContact O-N 3.06Å; S814-Q816 VanDerWaalsContact O-N 3.12Å
815G33.1Very low41.7Very low75 Ų75147 Ų14777%0.77384%0.842SS**  trans-73.395.6172.300000112.3S813 G817S813-G815 PolarHBondContact O-N 3.23Å; S813-G815 VanDerWaalsContact O-N 3.13Å; G815-G817 PolarHBondContact O-N 2.85Å
816Q47.5Very low43.8Very low201 Ų201145 Ų14594%0.93983%0.831SS**  trans-59.4117.5166.9-69.6-176.7-5.900109.4S814S814-Q816 PolarHBondContact O-N 3.06Å; S814-Q816 VanDerWaalsContact O-N 3.12Å
817G34.2Very low46.3Very low68 Ų68143.8 Ų143.870%0.70181%0.808SS**  trans-142.6109.4-168.600000113.8G815G815-G817 PolarHBondContact O-N 2.85Å
818S34Very low48.7Very low111 Ų111147.3 Ų147.378%0.77680%0.802SS**  trans65.4102.4175.8-160.30000115.8Q820S818-Q820 PolarHBondContact O-N 2.93Å
819R42.9Very low51.5Low242 Ų242144.5 Ų144.591%0.91378%0.78SS**  trans-60.1105.9157.7-64.2178.4-172.5-104.12.4107.4F821R819-F821 PolarHBondContact O-N 3.03Å
820Q43.3Very low54Low166 Ų166139.3 Ų139.378%0.77676%0.758SS**  trans-62.3125.6168.2-65.7-164.210.400107.8S818 M822S818-Q820 PolarHBondContact O-N 2.93Å; Q820-M822 PolarHBondContact O-N 3.43Å
821F41Very low55.8Low204 Ų204138.4 Ų138.490%0.89575%0.746SS**  trans-52.5127.5170.3-73.2-92.7000108.4R819 R823R819-F821 PolarHBondContact O-N 3.03Å; F821-R823 PolarHBondContact O-N 3.34Å
822M48.2Very low58.7Low191 Ų191144.9 Ų144.994%0.94175%0.746SS**  trans-67.663.9175.8-78.6-83.7-156.500110.6Q820 Q824Q820-M822 PolarHBondContact O-N 3.43Å; M822-Q824 PolarHBondContact O-N 2.89Å
823R50Low61.1Low227 Ų227141.1 Ų141.186%0.85771%0.706SS**  trans-66.298.9168.6-164.9-176.4-152.2-76.40.4105.6F821 R825F821-R823 PolarHBondContact O-N 3.34Å; R823-R825 PolarHBondContact O-N 2.9Å
824Q53.7Low63.8Low182 Ų182138.3 Ų138.385%0.8568%0.681SS**  trans-40.4106.7-172.4-71.6178.5-14.700110.4M822 I826M822-Q824 PolarHBondContact O-N 2.89Å; Q824-I826 PolarHBondContact O-N 3.44Å
825R65.9Low66.1Low200 Ų200134 Ų13476%0.75565%0.649SS**  trans-75101.8-176.8-179.1-178.3-77-175.1-0.6106.7R823 T827R823-R825 PolarHBondContact O-N 2.9Å; R825-T827 PolarHBondContact O-N 3.33Å; R825-T827 PolarHBondContact O-OG1 2.95Å
826I79.9Confident68.9Low149 Ų149133.9 Ų133.976%0.76463%0.63SS**  trans-50.7106.9178.6-59.2174.7000108.4Q824 R828Q824-I826 PolarHBondContact O-N 3.44Å; I826-R828 PolarHBondContact O-N 2.91Å
827T83.1Confident71Confident57 Ų57124.8 Ų124.835%0.3559%0.589SS.*  trans-77.8109.1-177.7-68.60000107.7A692 Q693 R825 V829A692-T827 HydrophobicContact CB-CG2 3.72Å; Q693-T827 HydrophobicContact CG-CG2 4.18Å; R825-T827 PolarHBondContact O-N 3.33Å; R825-T827 PolarHBondContact O-OG1 2.95Å; T827-V829 PolarHBondContact O-N 3.14Å
828R88.6Confident73.8Confident197 Ų197122 Ų12274%0.74356%0.558SS**  trans-82.3113.7-179.6-68-174.8174.7-163.1-3.8109.7I826 N830I826-R828 PolarHBondContact O-N 2.91Å; R828-N830 PolarHBondContact O-ND2 3.05Å
829V91Very high76.7Confident62 Ų62121.9 Ų121.938%0.37655%0.545SS..  trans-69139.2163-174.30000108.5A688 A692 T827 D833A688-V829 HydrophobicContact CB-CG1 3.92Å; A692-V829 HydrophobicContact CB-CB 4.46Å; A692-V829 HydrophobicContact CB-CG2 3.94Å; T827-V829 PolarHBondContact O-N 3.14Å; V829-D833 HydrophobicContact CG1-CB 4.07Å
830N90.7Very high78.9Confident78 Ų78116.3 Ų116.342%0.41753%0.533SS..  trans-123.6163.8-177.6-51.2-101.1000109.1K695 R828 R832 D833 L834K695-N830 PolarHBondContact NZ-ND2 3.25Å; R828-N830 PolarHBondContact O-ND2 3.05Å; N830-R832 PolarHBondContact O-N 3.22Å; N830-D833 WeakPolarHBondContact CB-OD2 3.27Å; N830-D833 PolarHBondContact N-OD2 2.97Å; N830-D833 PolarHBondContact ND2-OD2 3.43Å; N830-D833 WeakPolarHBondContact O-CB 3.42Å; N830-D833 PolarHBondContact O-N 3.12Å; N830-L834 PolarHBondContact O-N 3.34Å
831L91.2Very high81.2Confident100 Ų100110.5 Ų110.552%0.52451%0.508SS..Hα-helixtrans-54-39.8177.5-179.659.6000112.5D833 L834 L835L831-D833 VanDerWaalsContact C-N 3.26Å; L831-D833 PolarHBondContact O-N 2.76Å; L831-L834 PolarHBondContact O-N 3.31Å; L831-L835 HydrophobicContact CD1-CD1 4.4Å; L831-L835 HydrophobicContact CD1-CD2 4.49Å; L831-L835 HydrophobicContact CD1-CG 4.15Å; L831-L835 HydrophobicContact CD2-CD1 4.5Å; L831-L835 HydrophobicContact CG-CD1 3.91Å; L831-L835 HydrophobicContact CG-CG 4.16Å; L831-L835 VanDerWaalsContact O-CG 3.29Å; L831-L835 WeakPolarHBondContact O-CG 2.84Å; L831-L835 PolarHBondContact O-N 3.04Å
832R91.1Very high83.3Confident213 Ų213111.2 Ų111.280%0.80451%0.505SS*.Hα-helixtrans-60.8-31.7175.4-70.7-171.7177.7-168.6-1.9114.1N830 L836N830-R832 PolarHBondContact O-N 3.22Å; R832-L836 WeakPolarHBondContact O-CB 3.26Å; R832-L836 PolarHBondContact O-N 3.12Å; R832-L836 VanDerWaalsContact O-N 3.1Å
833D92.6Very high85.1Confident8 Ų8107.9 Ų107.94%0.04349%0.49CS..Hα-helixtrans-73.1-38.6179.9-51.7-34.9000109.9V691 K695 V829 N830 L831 C837V691-D833 HydrophobicContact CG1-CB 3.92Å; K695-D833 IonicContact NZ-OD1 2.92Å; K695-D833 PolarHBondContact NZ-OD1 2.91Å; K695-D833 IonicContact NZ-OD2 2.85Å; K695-D833 PolarHBondContact NZ-OD2 2.85Å; V829-D833 HydrophobicContact CG1-CB 4.07Å; N830-D833 WeakPolarHBondContact CB-OD2 3.27Å; N830-D833 PolarHBondContact N-OD2 2.97Å; N830-D833 PolarHBondContact ND2-OD2 3.43Å; N830-D833 WeakPolarHBondContact O-CB 3.42Å; N830-D833 PolarHBondContact O-N 3.12Å; L831-D833 VanDerWaalsContact C-N 3.26Å; L831-D833 PolarHBondContact O-N 2.76Å; D833-C837 PolarHBondContact O-N 2.96Å; D833-C837 PolarHBondContact O-SG 2.96Å
834L91.9Very high86.8Confident62 Ų6297.4 Ų97.433%0.32545%0.452SS..Hα-helixtrans-69.2-42.5172.7179.662.7000112.4L684 N830 L831 L836 C837 L838L684-L834 HydrophobicContact CD1-CD1 4.11Å; L684-L834 HydrophobicContact CD2-CD1 3.98Å; L684-L834 HydrophobicContact CG-CD1 3.89Å; N830-L834 PolarHBondContact O-N 3.34Å; L831-L834 PolarHBondContact O-N 3.31Å; L834-L836 VanDerWaalsContact C-N 3.32Å; L834-L836 PolarHBondContact O-N 2.68Å; L834-C837 WeakPolarHBondContact O-CB 3.13Å; L834-C837 PolarHBondContact O-N 2.96Å; L834-C837 VanDerWaalsContact O-N 3.12Å; L834-L838 HydrophobicContact CD1-CG 4.42Å; L834-L838 HydrophobicContact CG-CD1 4.18Å; L834-L838 HydrophobicContact CG-CG 4.48Å; L834-L838 WeakPolarHBondContact O-CG 3.21Å; L834-L838 PolarHBondContact O-N 3.23Å
835L93.1Very high88.5Confident20 Ų2090 Ų9011%0.10542%0.42CS..Hα-helixtrans-60.4-42.2177.7-70.6170.8000111.3L831 C837 L838 E839 L850 L854L831-L835 HydrophobicContact CD1-CD1 4.4Å; L831-L835 HydrophobicContact CD1-CD2 4.49Å; L831-L835 HydrophobicContact CD1-CG 4.15Å; L831-L835 HydrophobicContact CD2-CD1 4.5Å; L831-L835 HydrophobicContact CG-CD1 3.91Å; L831-L835 HydrophobicContact CG-CG 4.16Å; L831-L835 VanDerWaalsContact O-CG 3.29Å; L831-L835 WeakPolarHBondContact O-CG 2.84Å; L831-L835 PolarHBondContact O-N 3.04Å; L835-C837 VanDerWaalsContact C-N 3.3Å; L835-C837 PolarHBondContact O-N 2.74Å; L835-L838 PolarHBondContact O-N 3.44Å; L835-E839 WeakPolarHBondContact O-CB 3.18Å; L835-E839 PolarHBondContact O-N 3Å; L835-L850 HydrophobicContact CB-CD1 4.42Å; L835-L850 HydrophobicContact CD2-CD1 3.86Å; L835-L854 HydrophobicContact CD1-CD2 4.45Å
836L92.6Very high89.6Confident73 Ų7387.7 Ų87.738%0.38242%0.418SS..Hα-helixtrans-62.5-36174.8-174.864.9000112.1V691 R832 L834 E839 N840V691-L836 HydrophobicContact CG1-CD2 3.93Å; V691-L836 HydrophobicContact CG2-CD2 4.37Å; R832-L836 WeakPolarHBondContact O-CB 3.26Å; R832-L836 PolarHBondContact O-N 3.12Å; R832-L836 VanDerWaalsContact O-N 3.1Å; L834-L836 VanDerWaalsContact C-N 3.32Å; L834-L836 PolarHBondContact O-N 2.68Å; L836-E839 PolarHBondContact O-N 3.37Å; L836-N840 WeakPolarHBondContact CD1-ND2 3.46Å; L836-N840 PolarHBondContact O-N 3.09Å; L836-N840 VanDerWaalsContact O-N 3.13Å; L836-N840 PolarHBondContact O-ND2 3.08Å
837C92.9Very high90Very high11 Ų1182 Ų827%0.07439%0.391CS..Hα-helixtrans-69.4-40.3175.2-62.70000112.1L684 N687 A688 D833 L834 L835 E839 N840 D841L684-C837 HydrophobicContact CD1-CB 3.8Å; N687-C837 VanDerWaalsContact C-SG 3.56Å; N687-C837 HydrophobicContact CB-CB 4.49Å; A688-C837 WeakPolarHBondContact CA-SG 3.48Å; A688-C837 PolarHBondContact N-SG 3.35Å; A688-C837 VanDerWaalsContact N-SG 3.4Å; D833-C837 PolarHBondContact O-N 2.96Å; D833-C837 PolarHBondContact O-SG 2.96Å; L834-C837 WeakPolarHBondContact O-CB 3.13Å; L834-C837 PolarHBondContact O-N 2.96Å; L834-C837 VanDerWaalsContact O-N 3.12Å; L835-C837 VanDerWaalsContact C-N 3.3Å; L835-C837 PolarHBondContact O-N 2.74Å; C837-E839 VanDerWaalsContact C-N 3.33Å; C837-N840 PolarHBondContact O-N 3.37Å; C837-D841 WeakPolarHBondContact O-CB 3.45Å; C837-D841 PolarHBondContact O-N 3.2Å
838L92.6Very high90.3Very high9 Ų985.8 Ų85.85%0.04741%0.405CS..Hα-helixtrans-67.1-31.9175-67.7172.2000112.4L684 L834 L835 S844 S845 L849 L850L684-L838 HydrophobicContact CD1-CD2 4.13Å; L684-L838 HydrophobicContact CD2-CD2 3.99Å; L834-L838 HydrophobicContact CD1-CG 4.42Å; L834-L838 HydrophobicContact CG-CD1 4.18Å; L834-L838 HydrophobicContact CG-CG 4.48Å; L834-L838 WeakPolarHBondContact O-CG 3.21Å; L834-L838 PolarHBondContact O-N 3.23Å; L835-L838 PolarHBondContact O-N 3.44Å; L838-S844 WeakPolarHBondContact CD2-OG 3.43Å; L838-S844 CarbonylContact O-C 3.51Å; L838-S844 PolarHBondContact O-OG 2.96Å; L838-S845 WeakPolarHBondContact O-CA 3.25Å; L838-S845 PolarHBondContact O-N 2.83Å; L838-L849 HydrophobicContact CD1-CD2 4.26Å; L838-L849 HydrophobicContact CD1-CG 4.34Å; L838-L850 HydrophobicContact CB-CB 4.43Å; L838-L850 HydrophobicContact CB-CD1 4.05Å
839E93.4Very high90.2Very high109 Ų10982.1 Ų82.151%0.50940%0.4SS..Hα-helixtrans-71.5-38176.4-176.5173.3-152.700112.4L835 L836 C837 S845 L850L835-E839 WeakPolarHBondContact O-CB 3.18Å; L835-E839 PolarHBondContact O-N 3Å; L836-E839 PolarHBondContact O-N 3.37Å; C837-E839 VanDerWaalsContact C-N 3.33Å; E839-S845 VanDerWaalsContact O-CB 3.31Å; E839-S845 WeakPolarHBondContact O-CB 3.25Å; E839-L850 HydrophobicContact CB-CD2 4.18Å
840N90.8Very high90.3Very high124 Ų12479.4 Ų79.466%0.66338%0.383SS*.Hα-helixtrans-83.8-23.2179.4-72.7-71.3000114L836 C837 R842L836-N840 WeakPolarHBondContact CD1-ND2 3.46Å; L836-N840 PolarHBondContact O-N 3.09Å; L836-N840 VanDerWaalsContact O-N 3.13Å; L836-N840 PolarHBondContact O-ND2 3.08Å; C837-N840 PolarHBondContact O-N 3.37Å; N840-R842 PolarHBondContact O-N 3.16Å
841D89.9Confident90.3Very high45 Ų4581.5 Ų81.524%0.24139%0.386CS..  trans-72.7118.4175168.525.2000111.1R680 C837 D843 S844 S845R680-D841 IonicContact CZ-OD2 3.72Å; R680-D841 IonicContact NE-OD2 3.93Å; R680-D841 IonicContact NH2-OD1 3.98Å; R680-D841 IonicContact NH2-OD2 2.71Å; R680-D841 PolarHBondContact NH2-OD2 3.41Å; C837-D841 WeakPolarHBondContact O-CB 3.45Å; C837-D841 PolarHBondContact O-N 3.2Å; D841-D843 PolarHBondContact O-N 3.46Å; D841-D843 VanDerWaalsContact O-N 3.09Å; D841-D843 PolarHBondContact OD1-N 2.84Å; D841-S844 WeakPolarHBondContact CB-OG 3.5Å; D841-S844 PolarHBondContact O-N 3.44Å; D841-S844 VanDerWaalsContact O-N 3.08Å; D841-S844 WeakPolarHBondContact OD2-CB 3.11Å; D841-S844 PolarHBondContact OD2-N 3.33Å; D841-S844 PolarHBondContact OD2-OG 3.37Å; D841-S845 WeakPolarHBondContact O-CB 3.22Å; D841-S845 PolarHBondContact O-N 3.37Å; D841-S845 PolarHBondContact O-OG 2.86Å; D841-S845 VanDerWaalsContact O-OG 3.12Å
842R87Confident90.2Very high219 Ų21983 Ų8383%0.82639%0.388SS*.THydrogen-bonded Turntrans-48.8-38.9176.6-84.9-176.354.9171.5-4.9113.2N840 S845N840-R842 PolarHBondContact O-N 3.16Å; R842-S845 PolarHBondContact O-OG 2.8Å; R842-S845 VanDerWaalsContact O-OG 3.05Å
843D85Confident90Very high120 Ų12073.4 Ų73.464%0.64236%0.355SS*.THydrogen-bonded Turntrans-933-172-66.2-10.6000113R680 D841R680-D843 VanDerWaalsContact NH2-C 3.33Å; R680-D843 VanDerWaalsContact NH2-CB 3.29Å; R680-D843 PolarHBondContact NH2-O 3.27Å; D841-D843 PolarHBondContact O-N 3.46Å; D841-D843 VanDerWaalsContact O-N 3.09Å; D841-D843 PolarHBondContact OD1-N 2.84Å
844S86.2Confident89.8Confident8 Ų877.5 Ų77.56%0.05638%0.376CS..THydrogen-bonded Turntrans-135.5-8.2173.263.10000115.7L838 D841 H846 S847L838-S844 WeakPolarHBondContact CD2-OG 3.43Å; L838-S844 CarbonylContact O-C 3.51Å; L838-S844 PolarHBondContact O-OG 2.96Å; D841-S844 WeakPolarHBondContact CB-OG 3.5Å; D841-S844 PolarHBondContact O-N 3.44Å; D841-S844 VanDerWaalsContact O-N 3.08Å; D841-S844 WeakPolarHBondContact OD2-CB 3.11Å; D841-S844 PolarHBondContact OD2-N 3.33Å; D841-S844 PolarHBondContact OD2-OG 3.37Å; S844-H846 PolarHBondContact O-N 2.95Å; S844-H846 VanDerWaalsContact O-N 3.13Å; S844-S847 WeakPolarHBondContact O-CB 3.42Å; S844-S847 PolarHBondContact O-N 2.92Å; S844-S847 PolarHBondContact O-OG 3.21Å
845S88.8Confident89.5Confident25 Ų2581.7 Ų81.718%0.17540%0.399CS..THydrogen-bonded Turntrans-55.5-25171.253.70000114.7L838 E839 D841 R842 L850L838-S845 WeakPolarHBondContact O-CA 3.25Å; L838-S845 PolarHBondContact O-N 2.83Å; E839-S845 VanDerWaalsContact O-CB 3.31Å; E839-S845 WeakPolarHBondContact O-CB 3.25Å; D841-S845 WeakPolarHBondContact O-CB 3.22Å; D841-S845 PolarHBondContact O-N 3.37Å; D841-S845 PolarHBondContact O-OG 2.86Å; D841-S845 VanDerWaalsContact O-OG 3.12Å; R842-S845 PolarHBondContact O-OG 2.8Å; R842-S845 VanDerWaalsContact O-OG 3.05Å; S845-L850 WeakPolarHBondContact O-CD2 3.37Å
846H89.1Confident88Confident152 Ų15291.7 Ų91.770%0.70444%0.441SS*.THydrogen-bonded Turntrans-109.110.9177.3-62.471.3000112.3S844S844-H846 PolarHBondContact O-N 2.95Å; S844-H846 VanDerWaalsContact O-N 3.13Å
847S89.2Confident87.8Confident30 Ų3092.7 Ų92.721%0.2144%0.444CS..  trans-77.7145-174.672.30000112.7S844 L849 L850 Y851S844-S847 WeakPolarHBondContact O-CB 3.42Å; S844-S847 PolarHBondContact O-N 2.92Å; S844-S847 PolarHBondContact O-OG 3.21Å; S847-L849 PolarHBondContact O-N 3.3Å; S847-L849 VanDerWaalsContact O-N 3.09Å; S847-L850 PolarHBondContact O-N 2.99Å; S847-L850 VanDerWaalsContact O-N 3.14Å; S847-L850 PolarHBondContact OG-N 3.3Å; S847-Y851 WeakPolarHBondContact O-CD2 3.42Å; S847-Y851 PolarHBondContact O-N 3.49Å
848Q88.4Confident87.5Confident137 Ų13796.9 Ų96.964%0.6446%0.464SS*.Hα-helixtrans-58.8-21.3169.3-66.4-168.31200113.1K852Q848-K852 VanDerWaalsContact O-CB 3.26Å; Q848-K852 WeakPolarHBondContact O-CB 3.39Å; Q848-K852 WeakPolarHBondContact O-CD 3.32Å; Q848-K852 VanDerWaalsContact O-CG 3.24Å; Q848-K852 WeakPolarHBondContact O-CG 3.37Å; Q848-K852 PolarHBondContact O-N 2.8Å
849L87.8Confident87.2Confident120 Ų120101.8 Ų101.863%0.62849%0.487SS*.Hα-helixtrans-68.2-46.3176.1-179.262.6000111L838 S847 K852 G853L838-L849 HydrophobicContact CD1-CD2 4.26Å; L838-L849 HydrophobicContact CD1-CG 4.34Å; S847-L849 PolarHBondContact O-N 3.3Å; S847-L849 VanDerWaalsContact O-N 3.09Å; L849-K852 PolarHBondContact O-N 2.77Å; L849-G853 PolarHBondContact O-N 2.68Å
850L91.1Very high86.9Confident5 Ų5101.4 Ų101.43%0.02649%0.486CS..Hα-helixtrans-61.6-50.9175.2178.661.1000110.8L835 L838 E839 S845 S847 K852 G853 L854L835-L850 HydrophobicContact CB-CD1 4.42Å; L835-L850 HydrophobicContact CD2-CD1 3.86Å; L838-L850 HydrophobicContact CB-CB 4.43Å; L838-L850 HydrophobicContact CB-CD1 4.05Å; E839-L850 HydrophobicContact CB-CD2 4.18Å; S845-L850 WeakPolarHBondContact O-CD2 3.37Å; S847-L850 PolarHBondContact O-N 2.99Å; S847-L850 VanDerWaalsContact O-N 3.14Å; S847-L850 PolarHBondContact OG-N 3.3Å; L850-K852 PolarHBondContact O-N 2.88Å; L850-G853 CarbonylContact O-C 3.41Å; L850-G853 WeakPolarHBondContact O-CA 3.22Å; L850-G853 PolarHBondContact O-N 3.25Å; L850-L854 HydrophobicContact CD1-CD1 3.99Å; L850-L854 HydrophobicContact CD1-CD2 4.49Å; L850-L854 HydrophobicContact CD1-CG 4.03Å; L850-L854 HydrophobicContact CG-CD1 3.91Å; L850-L854 HydrophobicContact CG-CG 4.36Å; L850-L854 WeakPolarHBondContact O-CG 3.4Å; L850-L854 PolarHBondContact O-N 2.83Å
851Y90.9Very high86.6Confident122 Ų122100 Ų10048%0.47847%0.474SS..Hα-helixtrans-58.7-43.8178.9-64.6-61.4000112.7S847 G853 L854 L855S847-Y851 WeakPolarHBondContact O-CD2 3.42Å; S847-Y851 PolarHBondContact O-N 3.49Å; Y851-G853 PolarHBondContact O-N 3.13Å; Y851-L854 PolarHBondContact O-N 3.12Å; Y851-L855 WeakPolarHBondContact O-CD1 3.3Å; Y851-L855 PolarHBondContact O-N 3.26Å
852K89.6Confident86.4Confident132 Ų132103.7 Ų103.757%0.57449%0.49SS*.Hα-helixtrans-67.7-20174.9-74.6168.6176.5161.80113.6Q848 L849 L850Q848-K852 VanDerWaalsContact O-CB 3.26Å; Q848-K852 WeakPolarHBondContact O-CB 3.39Å; Q848-K852 WeakPolarHBondContact O-CD 3.32Å; Q848-K852 VanDerWaalsContact O-CG 3.24Å; Q848-K852 WeakPolarHBondContact O-CG 3.37Å; Q848-K852 PolarHBondContact O-N 2.8Å; L849-K852 PolarHBondContact O-N 2.77Å; L850-K852 PolarHBondContact O-N 2.88Å
853G87.1Confident86.4Confident11 Ų1195.4 Ų95.411%0.11347%0.466CS..Hα-helixtrans-85.7-29.7174.500000114L849 L850 Y851L849-G853 PolarHBondContact O-N 2.68Å; L850-G853 CarbonylContact O-C 3.41Å; L850-G853 WeakPolarHBondContact O-CA 3.22Å; L850-G853 PolarHBondContact O-N 3.25Å; Y851-G853 PolarHBondContact O-N 3.13Å
854L88.6Confident86.5Confident93 Ų9393.5 Ų93.549%0.48745%0.452SS..Hα-helixtrans-79.9-20.6174.7-67.9171.8000113.3L835 L850 Y851 K856L835-L854 HydrophobicContact CD1-CD2 4.45Å; L850-L854 HydrophobicContact CD1-CD1 3.99Å; L850-L854 HydrophobicContact CD1-CD2 4.49Å; L850-L854 HydrophobicContact CD1-CG 4.03Å; L850-L854 HydrophobicContact CG-CD1 3.91Å; L850-L854 HydrophobicContact CG-CG 4.36Å; L850-L854 WeakPolarHBondContact O-CG 3.4Å; L850-L854 PolarHBondContact O-N 2.83Å; Y851-L854 PolarHBondContact O-N 3.12Å; L854-K856 PolarHBondContact O-N 3.2Å
855L85.6Confident86.5Confident151 Ų151100.7 Ų100.779%0.79149%0.486SS*.THydrogen-bonded Turntrans-85.421.6175.5-94.866.6000113.5Y851Y851-L855 WeakPolarHBondContact O-CD1 3.3Å; Y851-L855 PolarHBondContact O-N 3.26Å
856K61.8Low86.3Confident230 Ų230107.5 Ų107.5100%151%0.514SS*.  trans-134.70-177.7-80.7-172.6171.9-176.30113.2L854L854-K856 PolarHBondContact O-N 3.2Å

Retrieved 856 of 856 residues in 948.1 ms (Link to these results)