A0A3Q0KLX1_SCHMA Loading...

Putative poly(Rc) binding protien AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 920 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
1M42Very low36.3Very low200 Ų200145.7 Ų145.799%0.98581%0.811SS**  096.90-77.2-177.3-89.100108.9M815M1-M815 HydrophobicContact CE-SD 4.33Å
2A30.5Very low36.4Very low98 Ų98146.2 Ų146.281%0.8182%0.82SS**  trans-105107.5165.500000106.8
3L39.8Very low36.2Very low171 Ų171139.8 Ų139.890%0.89581%0.808SS**  trans167.175.7164-96.2163.8000111.5
4T46.4Very low36.3Very low138 Ų138142.4 Ų142.485%0.84781%0.812SS**  trans-162.764.7165.128.70000108.9
5S38.3Very low36.3Very low87 Ų87140.3 Ų140.361%0.60881%0.809SS**  46.596.492.2-1690000111.7
6V34.1Very low36.3Very low125 Ų125135.6 Ų135.676%0.75880%0.801SS**  50.363.163.1-162.40000112.6T8V6-T8 PolarHBondContact O-N 2.71Å
7V36.8Very low36.1Very low127 Ų127136.6 Ų136.677%0.7780%0.802SS**  trans-94.777.8169-174.50000110S9V7-S9 PolarHBondContact O-N 2.88Å
8T36.3Very low36.1Very low111 Ų111137.2 Ų137.268%0.68180%0.799SS**  trans-70.9121.2161.139.50000109.3V6 Y10V6-T8 PolarHBondContact O-N 2.71Å; T8-Y10 PolarHBondContact O-N 2.79Å
9S30Very low36Very low112 Ų112137.3 Ų137.378%0.78379%0.794SS**  trans-75.2114.6-177.8-64.40000111.7V7V7-S9 PolarHBondContact O-N 2.88Å
10Y34.5Very low36.1Very low232 Ų232136.1 Ų136.191%0.9179%0.792SS**  trans-125.8149161.3-93.5-88.7000110.7T8T8-Y10 PolarHBondContact O-N 2.79Å
11K31Very low36Very low202 Ų202136.5 Ų136.588%0.87879%0.791SS**  trans-126.298.1-154.3178.9-166.5178-171.90111.4
12V36.9Very low35.6Very low151 Ų151133.4 Ų133.492%0.91578%0.778SS**  trans-152.1143.7168.2-170.40000106.2
13G34.6Very low35.7Very low64 Ų64136.8 Ų136.866%0.6678%0.775SS**  cis154.678.5-2.200000111.9
14M36.9Very low35.1Very low175 Ų175135 Ų13586%0.86277%0.766SS**  trans78.2121.8158.9-52.6-151.975.100122.1
15S36.4Very low34.3Very low111 Ų111135.4 Ų135.478%0.77676%0.76SS**  trans83.1139.3130.3-62.50000123.7
16G36.8Very low33.9Very low65 Ų65138 Ų13867%0.6777%0.766SS**  trans98.273.4158.500000114.8
17D33.4Very low33.9Very low153 Ų153136.7 Ų136.782%0.81876%0.76SS**  76.8141.770.5-71.3-45.4000116.1
18I34.4Very low33.8Very low148 Ų148141 Ų14176%0.75976%0.764SS**  trans106.889.9160.6-60.9153.9000118.9
19I34.7Very low33.6Very low138 Ų138140 Ų14071%0.70876%0.762SS**  63.7121.7129-57.1173.9000120.6
20P38.9Very low33.6Very low114 Ų114138.9 Ų138.974%0.7475%0.75SS**  trans-91.2149.7161.937.2-31.7000112.3
21N32.6Very low33.6Very low145 Ų145136.4 Ų136.478%0.77574%0.744SS**  trans-173.5117160.7-95.1-27.6000111.5
22N35.5Very low33.6Very low135 Ų135133.6 Ų133.672%0.72273%0.734SS**  159.5122.7120.6-92.44.9000114
23F31.3Very low33.2Very low168 Ų168131.3 Ų131.374%0.73772%0.721SS**  trans40.2121.8132.1-70.2-86.3000122.3
24D27.3Very low32.9Very low133 Ų133132.1 Ų132.171%0.71172%0.721SS**  trans69.5119.7130.9-67-8.1000122.4
25M28.9Very low32.6Very low147 Ų147131.9 Ų131.972%0.72472%0.722SS**  35.5123.9124.2-62.8-119.266.600118.8
26I30.8Very low32.6Very low141 Ų141134.2 Ų134.272%0.72373%0.725SS**  -166.9135.5107.5-93147.3000109.1Y28I26-Y28 HydrophobicContact CG2-CD2 3.89Å; I26-Y28 HydrophobicContact CG2-CE2 3.62Å
27P34.3Very low32.5Very low99 Ų99136.8 Ų136.864%0.64373%0.73SS**  trans-90.9147.8176.435.5-32.7000112.2
28Y34.9Very low32.6Very low218 Ų218138 Ų13886%0.85573%0.731SS**  trans-12492.1168-90.7-81.5000113.2I26I26-Y28 HydrophobicContact CG2-CD2 3.89Å; I26-Y28 HydrophobicContact CG2-CE2 3.62Å
29S31.2Very low33Very low90 Ų90135.5 Ų135.563%0.62972%0.724SS**  trans-35.3160.5131.41140000112.9
30T31.1Very low32.9Very low88 Ų88135 Ų13554%0.5472%0.723SS.*  cis-169.5-173.811.6-86.90000107.9
31F33.6Very low33.1Very low179 Ų179135.3 Ų135.379%0.78573%0.725SS**  trans108.7140.1150.1-60.2-70.2000116.4
32H30.8Very low33Very low144 Ų144135.4 Ų135.467%0.66773%0.725SS**  cis-167.8138.1-31.4-139.1-135.5000108.8
33T28.5Very low33Very low103 Ų103132.3 Ų132.363%0.63273%0.725SS**  52.9105124.1-54.40000121.7
34A28.9Very low33.3Very low81 Ų81130.6 Ų130.667%0.66973%0.73SS**  77.4158.4122.300000124.3
35L30.3Very low33.6Very low169 Ų169127.5 Ų127.589%0.88573%0.729SS**  trans81.2135.8155.6-68.9152.5000120.6
36L36.4Very low33.7Very low160 Ų160128.1 Ų128.184%0.83874%0.736SS**  trans-59.2160.7159.9-65.9114.2000110.5
37P35.7Very low34.1Very low119 Ų119126.4 Ų126.477%0.77373%0.734SS**  cis-151.7-161.738.141.7-17.7000117.6
38H35.4Very low33.9Very low179 Ų179126.6 Ų126.683%0.82974%0.738SS**  trans-30.1177.1159.2-83.6-64.9000118.7
39P41Very low33.7Very low96 Ų96122.5 Ų122.562%0.62373%0.73SS**  cis-139.6-176.5-39.140.3-23000114.2
40N33.5Very low33.7Very low128 Ų128124.5 Ų124.568%0.68473%0.733SS**  trans67.9160.8160.1-72.5-6.3000116.6L42N40-L42 HydrophobicContact CB-CD1 4.43Å; N40-L42 HydrophobicContact CB-CG 4.39Å
41P42.6Very low33.7Very low119 Ų119125.1 Ų125.177%0.77374%0.74SS**  cis-109.4140.530.241.2-31.1000114.8
42L32.2Very low33.8Very low148 Ų148122.8 Ų122.878%0.77574%0.741SS**  49.99974-61.5168.8000110.7N40N40-L42 HydrophobicContact CB-CD1 4.43Å; N40-L42 HydrophobicContact CB-CG 4.39Å
43G34.3Very low34.1Very low70 Ų70118.8 Ų118.872%0.72274%0.739SS**  cis124.9-166.846.400000107.2
44P37.5Very low34.5Very low132 Ų132121.1 Ų121.186%0.85775%0.747SS**  cis-132.5156.2-30.238.2-23.5000113.5
45G33.5Very low34.9Very low67 Ų67124.6 Ų124.669%0.69175%0.751SS**  trans77.7172.8150.800000117.8
46N31.6Very low35.3Very low161 Ų161123 Ų12386%0.86174%0.742SS**  cis-149.7172-14.1-126.25.8000109.3
47P38.3Very low35.1Very low104 Ų104121 Ų12168%0.67574%0.737SS**  trans-84.5-159-157.739.5-40.7000111.3
48S30.7Very low35.2Very low104 Ų104119.1 Ų119.173%0.72773%0.732SS**  trans79.1146.2-177.293.90000111.9
49N30.2Very low35.1Very low131 Ų131118.7 Ų118.770%0.70173%0.73SS**  cis-164.1161.8-2.6-128.2-8.7000109.5
50I32.3Very low34.8Very low132 Ų132122.7 Ų122.768%0.67774%0.74SS**  trans67.7114.2148.2-62.1162.2000116.7
51S29.8Very low35Very low101 Ų101121 Ų12171%0.70674%0.737SS**  28.8142.7123.1-39.30000118.6
52T36.4Very low34.6Very low131 Ų131123 Ų12380%0.80474%0.74SS**  cis-179.3149.948.1-27.40000106.3
53G37.3Very low34.7Very low59 Ų59119.1 Ų119.161%0.60874%0.736SS**  cis174-177.9-9.400000111.1
54L37.2Very low34.6Very low153 Ų153124.7 Ų124.780%0.80174%0.744SS**  trans69.3126.9151.4-53.6166.1000116.4
55M37.4Very low34.3Very low153 Ų153125.9 Ų125.975%0.75474%0.743SS**  cis-162.2164.14.4-101.9-173.8161.900107.2
56L38.2Very low34.5Very low135 Ų135128.6 Ų128.671%0.70775%0.748SS**  cis-146.9171.75-113.8159.2000110.7
57T32Very low34.7Very low118 Ų118131.6 Ų131.672%0.72475%0.749SS**  trans-39.2153.7163.552.30000117.7
58A37.8Very low34.5Very low81 Ų81132.9 Ų132.967%0.66976%0.759SS**  cis-170-161.2-5.100000107.6
59Q33.8Very low34.7Very low170 Ų170133.1 Ų133.179%0.79476%0.758SS**  cis-158101.510-166.3153.3-55.800115.1
60Q34.9Very low34.9Very low179 Ų179132.7 Ų132.784%0.83676%0.763SS**  trans69.6160.4137.5-86.7-161.3-5.800122.6
61P38.2Very low35.1Very low94 Ų94134.5 Ų134.561%0.6177%0.772SS**  -143.6-155.2-126.442.5-19000115.8
62N33.8Very low35.3Very low159 Ų159135.4 Ų135.485%0.8577%0.773SS**  trans91.2134.2161.7-64.2-20.6000119.1
63G33.5Very low35Very low67 Ų67136.7 Ų136.769%0.69178%0.775SS**  trans138.273135.200000119.2
64Q32.4Very low34.8Very low188 Ų188140.8 Ų140.888%0.87979%0.788SS**  trans52.4121.2140-65168-26.400121.2
65N31.6Very low34.4Very low157 Ų157140.5 Ų140.584%0.8479%0.787SS**  trans46.7127.8152.7-69.6-18.7000119.5
66P37.9Very low34.3Very low123 Ų123137 Ų13780%0.79979%0.791SS**  -147.2169.5100.836.8-21.1000116.7
67Y35.3Very low33.9Very low224 Ų224140 Ų14088%0.87879%0.794SS**  trans-45145.2160.6-91.3-115.4000113.3P69Y67-P69 VanDerWaalsContact O-CD 3.25Å; Y67-P69 WeakPolarHBondContact O-CD 3.25Å
68C33.8Very low34Very low132 Ų132145.7 Ų145.789%0.89280%0.804SS**PPolyproline II helixtrans-67124.9175.5-58.50000113.4
69P35.5Very low33.6Very low108 Ų108147.6 Ų147.670%0.70181%0.807SS**PPolyproline II helixtrans-103.1168.5163.27.116.6000111.7Y67Y67-P69 VanDerWaalsContact O-CD 3.25Å; Y67-P69 WeakPolarHBondContact O-CD 3.25Å
70P34Very low33.4Very low122 Ų122147.4 Ų147.479%0.79281%0.812SS**PPolyproline II helixtrans-80.8149.6-171.832.5-35.8000114.2
71I36.6Very low33.3Very low171 Ų171144 Ų14488%0.87780%0.803SS**PPolyproline II helixtrans-79.1129.5179.1-64.4175.1000110.9
72T33.1Very low33.1Very low119 Ų119145.9 Ų145.973%0.7381%0.807SS**  trans-111.8156.8171.5-52.10000110.1
73L30.3Very low33.1Very low159 Ų159148.8 Ų148.883%0.83281%0.808SS**  trans-46.2149.8-175.8-63.2155.4000116.7
74T33Very low33.1Very low144 Ų144150.5 Ų150.588%0.88381%0.807SS**  trans-147.6150.114927.60000112.2
75N29.9Very low33.2Very low148 Ų148149.6 Ų149.679%0.79180%0.802SS**  trans-80.1158.5-168.6-64.2-21.5000115
76G34.7Very low33.3Very low80 Ų80149.1 Ų149.183%0.82580%0.8SS**  trans-148.9112.6161.300000111.3
77Y28.8Very low32.9Very low196 Ų196147.8 Ų147.877%0.76980%0.799SS**  trans-78.7144.3177.2-78.7-106.6000111.6
78Y34.3Very low32.8Very low239 Ų239145.6 Ų145.694%0.93780%0.797SS**  trans-159.1141.2136.2-98.3-69.1000110.1
79T29.9Very low32.6Very low120 Ų120144.8 Ų144.874%0.73679%0.793SS**  trans-109.4144.9-17348.40000112.3
80N30.4Very low32.5Very low167 Ų167149.2 Ų149.289%0.89380%0.802SS**  trans-152156.3149.3-146.3-29.6000110.7
81V33.1Very low32.2Very low107 Ų107148.9 Ų148.965%0.64880%0.801SS**  trans-129.5157.4-153.5-167.20000111.9
82N33.9Very low32Very low133 Ų133151.8 Ų151.871%0.71180%0.802SS**  trans95.7116.9173.5-54.6-32.9000114.2
83Y33Very low32Very low221 Ų221152.1 Ų152.187%0.86780%0.804SS**  cis-146.6162.236-101.4-92.6000112.4
84P34.2Very low32.1Very low102 Ų102152.3 Ų152.366%0.66280%0.801SS**  trans-108.8144-170.637.5-26.9000114.6
85H34.9Very low32.4Very low170 Ų170151.2 Ų151.279%0.78780%0.796SS**  -171.1153.8124-121.1-88000112.5
86N32.5Very low32.6Very low146 Ų146151.3 Ų151.378%0.78180%0.796SS**  trans71.975.7164.3-51.9-14.2000116.7
87A30.8Very low32.5Very low96 Ų96155.4 Ų155.479%0.79380%0.8SS**  trans-101.6125.4164.700000111.1
88E32.4Very low32.8Very low178 Ų178150.9 Ų150.983%0.83280%0.802SS**  trans-140.7123.1138-81.5-159.8163.500107.9
89S29.7Very low32.8Very low115 Ų115147.1 Ų147.180%0.80480%0.799SS**  trans-155.1104.4179.5-72.70000108.5
90F33.1Very low33Very low201 Ų201146.5 Ų146.588%0.88280%0.799SS**  trans-92.2112.3173.2-88.7-84.1000110.4
91C28.7Very low33.1Very low115 Ų115146 Ų14678%0.77779%0.794SS**  trans-68.4150.9161.1-61.70000109.9
92Y31.3Very low33Very low231 Ų231147.7 Ų147.791%0.90680%0.799SS**  trans-123.4132.2161.4-140.7-89.3000109.4
93V33Very low32.9Very low126 Ų126148.1 Ų148.176%0.76480%0.802SS**PPolyproline II helixtrans-85.4141.5-177176.10000109.5
94Q32.4Very low32.8Very low164 Ų164141.4 Ų141.477%0.76679%0.792SS**PPolyproline II helixtrans-96.5127.5177.9-170.8175.63.400109.9
95P39.4Very low32.6Very low120 Ų120146.4 Ų146.478%0.77980%0.799SS**PPolyproline II helixtrans-84.3137.5169.7710000110.6
96N34.3Very low32.5Very low150 Ų150145.9 Ų145.980%0.80280%0.796SS**PPolyproline II helixtrans-89.2149.2173.6-76.7-26000111.7
97D32.6Very low32.5Very low167 Ų167144.5 Ų144.589%0.89379%0.794SS**PPolyproline II helixtrans-66.4139.2171.2-63.7-63.3000112.7
98A35.8Very low32.2Very low100 Ų100150.2 Ų150.283%0.82680%0.796SS**  trans-153.998.7156.700000110.8
99N33.2Very low32.4Very low161 Ų161147.8 Ų147.886%0.86180%0.796SS**  trans-70.2125.6160.7-79-55.7000109
100S34.5Very low32.5Very low106 Ų106148 Ų14874%0.74179%0.793SS**  trans170151130.8-81.10000114.1
101I33.3Very low32.3Very low156 Ų156143.2 Ų143.280%0.878%0.784SS**  trans74.492.6161.4-50.7130.2000116.8
102L31.1Very low32.7Very low143 Ų143145.8 Ų145.875%0.74979%0.788SS**  53.8129117.6-119.983.6000121.4
103N30.6Very low32.7Very low143 Ų143141.2 Ų141.277%0.76578%0.78SS**  trans79.6139.2145.2-75.20000122
104A30.9Very low32.7Very low80 Ų80141.6 Ų141.666%0.66178%0.776SS**  trans83.994.6139.800000120.2
105Y30.5Very low32.9Very low207 Ų207139.5 Ų139.581%0.81278%0.777SS**  75.1120.7126-67-61.8000122.3
106H32.8Very low32.5Very low158 Ų158140.5 Ų140.573%0.73178%0.775SS**  trans73.4112.8131.7-83.3-58000122.6
107T32.7Very low32.5Very low118 Ų118142.7 Ų142.772%0.72478%0.78SS**  87.9114.4123.2-54.70000118.7
108Y23.3Very low32.4Very low216 Ų216139 Ų13985%0.84777%0.773SS**  trans-62.6156.9163.4-66.8-91000112.3
109P36.4Very low32.3Very low126 Ų126140.7 Ų140.782%0.81877%0.774SS**  -133.9157.4125.636.2-26.6000114.6
110T32.3Very low32.3Very low121 Ų121141.8 Ų141.874%0.74277%0.773SS**  trans-94.3152.8-176.645.90000113.6
111S29.8Very low32.3Very low100 Ų100144.1 Ų144.170%0.69978%0.776SS**  trans57.7126.9140.862.70000121.6
112I35.8Very low32.3Very low169 Ų169141.6 Ų141.687%0.86777%0.772SS**  trans170.8145.5147.7-94.6150.8000107.2
113N31.7Very low32.3Very low135 Ų135140.7 Ų140.772%0.72278%0.776SS**  cis-161.5172.3-31.5-155.2-21000108.1
114L33.3Very low32.4Very low133 Ų133141 Ų14170%0.69678%0.777SS**  trans-72.6169.9-175.6-74.563.7000113.9
115P36.9Very low32.6Very low120 Ų120146 Ų14678%0.77978%0.784SS**  -140.1144.29529.3-11000113.8
116L31.6Very low32.7Very low142 Ų142142.7 Ų142.774%0.74378%0.78SS**  cis86.1105.149.4-84.8166.9000116.2
117Q33.2Very low32.7Very low195 Ų195146.1 Ų146.191%0.91179%0.788SS**  trans-179.7113143.6-104.5170.1-22.200107.7
118A30.1Very low32.8Very low89 Ų89145.3 Ų145.374%0.73678%0.783SS**  cis96.6103.426.600000115.1
119T35.1Very low33.4Very low137 Ų137140.3 Ų140.384%0.8478%0.78SS**  trans-153.9119.715348.20000111.4
120H32.5Very low33.3Very low183 Ų183141 Ų14185%0.84778%0.777SS**  trans50.3128.8152.2-91.2-116.3000119.3
121I35.4Very low33.5Very low156 Ų156142.1 Ų142.180%0.878%0.778SS**  cis-150.6147.646.1-69.5173000111.3
122S33.3Very low33.9Very low103 Ų103144.8 Ų144.872%0.7278%0.779SS**  trans-64.2139.5176.3-50.60000113.8
123C29.2Very low33.9Very low123 Ų123143.5 Ų143.583%0.83177%0.773SS**  52.6117.674.2-77.20000116
124D34.6Very low33.9Very low149 Ų149141.7 Ų141.780%0.79777%0.77SS**  -169.8160120.9-121.9-27.4000116.7
125K34.4Very low34.1Very low186 Ų186142 Ų14281%0.80977%0.773SS**  trans72103.6174.2-57.9178.6-175.8178.90117
126L32.2Very low34.1Very low137 Ų137141.9 Ų141.972%0.71777%0.766SS**  69.3112.454.2-60171.8000115.5
127Y32.1Very low34.3Very low230 Ų230140.9 Ų140.990%0.90276%0.761SS**  -156.8150.3110.2-122.1-85.3000111.9
128T36.2Very low34.6Very low102 Ų102138.2 Ų138.263%0.62675%0.753SS**  trans-136144.7-167.953.80000112.5
129S35.5Very low35.1Very low111 Ų111141 Ų14178%0.77675%0.751SS**  trans179.6116139.553.20000109
130N34.9Very low35.3Very low141 Ų141139.7 Ų139.775%0.75474%0.739SS**  76.2141.854.7-76.4-5000116
131N36.7Very low35.7Very low143 Ų143138.3 Ų138.377%0.76573%0.732SS**  trans98.5138.3161.7-62.5-12.2000118
132H37.7Very low35.9Very low156 Ų156137.2 Ų137.272%0.72273%0.728SS**  cis-174.9160-20.7-144.6-60.1000109.8
133I36.2Very low36.1Very low142 Ų142140.2 Ų140.273%0.72873%0.73SS**  trans71.4127.9158.3-51.9172.9000116.2
134S31.7Very low36.4Very low97 Ų97141 Ų14168%0.67873%0.725SS**  cis96.8138.612.2-159.60000118.2
135N37.1Very low36.5Very low139 Ų139139.7 Ų139.774%0.74372%0.722SS**  trans66.5157.5168.8-81.7-20.4000119.1
136N36.3Very low36.8Very low118 Ų118134.5 Ų134.563%0.63171%0.714SS**  cis-171.2156.2-37.6-133.3-24.7000109.5
137N36.7Very low37Very low122 Ų122137 Ų13765%0.65272%0.722SS**  trans47.3123.3153.8-57.3-30.5000121.5
138N38.4Very low37Very low138 Ų138132.8 Ų132.874%0.73872%0.715SS**  165.215086.4-110.6-33.1000116.5
139H41.1Very low37Very low148 Ų148131.1 Ų131.169%0.68571%0.706SS**  trans83.3112.4142-86.529.1000124.2
140N39Very low36.9Very low110 Ų110131.4 Ų131.459%0.58870%0.698SS**  97102.5120.9-69.63.2000123.3
141H41Very low36.6Very low154 Ų154130.9 Ų130.971%0.71369%0.694SS**  109127.5110.4-95.819.8000121.4
142N38.8Very low36.3Very low132 Ų132127.5 Ų127.571%0.70668%0.682SS**  trans85.2130.2140.6-64.6-10.5000121.8
143H37.6Very low36Very low167 Ų167126 Ų12677%0.77368%0.684SS**  118.367.2114.9-61.9-33.8000123.8
144I36.6Very low35.8Very low140 Ų140126.5 Ų126.572%0.71869%0.687SS**  trans74.6162.5153.5-61.4-177.6000115.9
145T36.7Very low35.7Very low121 Ų121128.4 Ų128.474%0.74269%0.689SS**  -170.3152.6-50.4-71.10000108.6
146A39.6Very low35.5Very low76 Ų76126.3 Ų126.363%0.62868%0.682SS**  trans80.8125.8159.500000122.6
147Q37.9Very low35.3Very low190 Ų190127.5 Ų127.589%0.88869%0.688SS**  trans80.5135.3137.6-68.3170.8-7.800122
148N32Very low35.2Very low142 Ų142129.5 Ų129.576%0.75969%0.693SS**  trans-64.4-172.4175.3-54.4-32000112.7G194N148-G194 CarbonylContact C-O 3.58Å
149P36.5Very low34.9Very low67 Ų67129.1 Ų129.144%0.43569%0.69SS.*  cis-146.7175.66.445.2-26.7000118.7Q193 G194P149-Q193 CarbonylContact O-C 3.55Å; P149-G194 CarbonylContact C-O 3.59Å; P149-G194 WeakPolarHBondContact CA-O 3.34Å; P149-G194 VanDerWaalsContact N-O 3.09Å; P149-G194 CarbonylContact O-C 3.57Å; P149-G194 WeakPolarHBondContact O-CA 3.2Å; P149-G194 PolarHBondContact O-N 3.34Å
150L32.9Very low34.5Very low117 Ų117127.6 Ų127.661%0.61369%0.691SS**  trans79.8-172.8150.2-74.5165.1000122S192 G194L150-S192 WeakPolarHBondContact CB-O 3Å; L150-G194 VanDerWaalsContact C-N 3.28Å; L150-G194 PolarHBondContact O-N 3.04Å
151L29.2Very low34.4Very low129 Ų129130.4 Ų130.468%0.67570%0.702SS**  -121.4165.4-129.5-159.381000115.2Q193L151-Q193 PolarHBondContact O-N 3.48Å; L151-Q193 PolarHBondContact O-NE2 3.37Å; L151-Q193 PolarHBondContact O-OE1 3.24Å
152S30.2Very low34.1Very low72 Ų72129.5 Ų129.550%0.50370%0.703SS.*  trans96.5164.7159.993.90000118.3Q193S152-Q193 PolarHBondContact O-NE2 2.78Å; S152-Q193 PolarHBondContact OG-OE1 3.32Å
153T29.9Very low34Very low126 Ų126129.4 Ų129.477%0.77370%0.703SS**  cis-168.1-178.5-40-76.50000107.6
154I31.9Very low34Very low152 Ų152127.7 Ų127.778%0.77970%0.699SS**  trans91.687.9161.5-51.3-174.5000118.8
155N30.2Very low34Very low137 Ų137126.9 Ų126.973%0.73370%0.696SS**  84.8132.9109.2-14426000124.6
156T33.2Very low34Very low95 Ų95131.6 Ų131.658%0.58370%0.702SS**  trans81.1131.9141.9270000125.1
157N32.8Very low33.8Very low143 Ų143133 Ų13377%0.76570%0.699SS**  trans74.9132.6148-56.3-24000117.8
158H33.1Very low33.9Very low163 Ų163132.2 Ų132.276%0.75570%0.701SS**  cis-176.2159.227.8-154.6-145.2000111.7
159I33.4Very low34.5Very low131 Ų131133 Ų13367%0.67270%0.698SS**  trans64.3128.4162.8-40.7-169.5000117.3
160T32.4Very low34.4Very low116 Ų116136.7 Ų136.771%0.71271%0.714SS**  cis124.6146.74.7-66.80000111.2
161M37.4Very low34.6Very low168 Ų168140 Ų14083%0.82873%0.726SS**  trans95.9133.7177.9-58.1-60.4-17600115.9
162N34Very low35.1Very low135 Ų135142.6 Ų142.672%0.72274%0.739SS**  cis-158153.8-17.9-169.213.1000110.1
163N35.8Very low35.6Very low131 Ų131142.6 Ų142.670%0.70175%0.751SS**  trans-96.5168.1-178.9-64.4-40.2000112.5
164N37.6Very low36.3Very low130 Ų130146.5 Ų146.570%0.69576%0.757SS**  168.5153.8104.4-85.7-36.4000116.2
165N37.3Very low36.6Very low123 Ų123151.1 Ų151.166%0.65877%0.765SS**  trans68.7136.2165.5-63.6-14.2000118
166Y36.5Very low36.8Very low221 Ų221152.9 Ų152.987%0.86777%0.773SS**  cis-113.7142.816-96.3-103.4000114.8
167N35.4Very low37Very low105 Ų105157.4 Ų157.456%0.56179%0.788SS**  trans-98.5150.6162-75.3-66.3000109.4
168D41.3Very low37Very low174 Ų174159.5 Ų159.593%0.9380%0.795SS**  -147103.6126.2-102.2-30.4000108.5
169K43Very low37.3Very low159 Ų159158.5 Ų158.569%0.69179%0.794SS**  trans-116.7148.2171.7-68.1178.6176.5175.40107.6
170N35.6Very low37.2Very low144 Ų144155.9 Ų155.977%0.7780%0.799SS**  153.9105120.5-76.3-27.7000109.8
171E37.2Very low37.4Very low186 Ų186155.8 Ų155.887%0.86980%0.798SS**SBendtrans-168.631.2144.7-15256.6-142.600111.9
172L39.9Very low37.1Very low183 Ų183156.6 Ų156.696%0.95880%0.8SS**  trans-140.265.1-177.7-99.1168.2000110.7
173G39.7Very low37.1Very low72 Ų72158.2 Ų158.274%0.74280%0.8SS**  trans-140.613.7-172.800000116.3
174K44Very low37Very low208 Ų208157.8 Ų157.890%0.90481%0.807SS**SBendtrans-136.216.1-173.4-93.1-174176.6178.20116.9
175R37.9Very low36.6Very low249 Ų249157.9 Ų157.994%0.9481%0.808SS**  trans-133.966.2170.3-64.1-172.783.7-168.56.9111.3
176L36.3Very low36.3Very low175 Ų175157.5 Ų157.592%0.91682%0.815SS**  trans-138.447.7177.4-103.4166.8000111.5
177E37.2Very low36.1Very low190 Ų190154.5 Ų154.589%0.88881%0.813SS**  trans-155.672.1168.6-144.8171.8-142.200111.2
178M32.8Very low36Very low187 Ų187155.8 Ų155.892%0.92182%0.819SS**  trans-174.356.6157.6-109.1-161.7-57.500112
179I38.4Very low35.5Very low142 Ų142154.2 Ų154.273%0.72881%0.811SS**  trans-129.894.9148.6-61.5-176000106.1V181I179-V181 HydrophobicContact CG2-CG2 4.35Å; I179-V181 PolarHBondContact O-N 2.8Å
180G31.9Very low35.1Very low75 Ų75154.9 Ų154.977%0.77382%0.816SS**  trans-67.694.8171.100000109.6E182G180-E182 PolarHBondContact O-N 3.03Å
181V35.6Very low35Very low115 Ų115152.1 Ų152.170%0.69781%0.809SS**  trans-77.298.4157.7177.20000106I179 K183I179-V181 HydrophobicContact CG2-CG2 4.35Å; I179-V181 PolarHBondContact O-N 2.8Å; V181-K183 PolarHBondContact O-N 2.82Å
182E32.3Very low35Very low184 Ų184147.2 Ų147.286%0.8680%0.795SS**  trans-61.897173.7-72.9-170.4142.100110.1G180G180-E182 PolarHBondContact O-N 3.03Å
183K33.5Very low34.7Very low170 Ų170143.7 Ų143.774%0.73977%0.773SS**  trans-91.692.1151.7-77.9-175.6174.5-1800107.6V181 N185V181-K183 PolarHBondContact O-N 2.82Å; K183-N185 PolarHBondContact O-N 2.91Å
184S33.1Very low34.4Very low121 Ų121141.2 Ų141.285%0.84675%0.748SS**  trans-68.280.8165.629.30000109.9
185N29.5Very low34Very low133 Ų133137.6 Ų137.671%0.71174%0.737SS**  trans-90.3163.4166-93.4-12.7000110.7K183K183-N185 PolarHBondContact O-N 2.91Å
186S31.2Very low34.1Very low115 Ų115132.4 Ų132.480%0.80473%0.726SS**  trans72.1107.7165.766.80000118.5
187L32.2Very low34.1Very low158 Ų158129.2 Ų129.283%0.82771%0.711SS**  -145.6128.8126-147.584.3000109.5
188L34.2Very low34.1Very low131 Ų131129 Ų12969%0.68671%0.707SS**  trans71.8105.1165.9-43.6-175.8000118.8
189D31Very low34.2Very low141 Ų141124.9 Ų124.975%0.75470%0.696SS**  43.5140.1102.1-44-27.3000118.3
190E33.6Very low34Very low173 Ų173124 Ų12481%0.80870%0.697SS**  cis-160.2162.19.3-141.7-169.6145.600111.6
191S33.6Very low34.1Very low87 Ų87127.1 Ų127.161%0.60870%0.695SS**  trans69.8114.615167.70000123.4
192S37.4Very low34Very low83 Ų83128.7 Ų128.758%0.5870%0.699SS**  94.594.9127-58.40000124.2L150L150-S192 WeakPolarHBondContact CB-O 3Å
193Q33.1Very low33.8Very low108 Ų108124.6 Ų124.651%0.50569%0.69SS.*  63.5115.2114.7-134.671.347.400125.8P149 L151 S152P149-Q193 CarbonylContact O-C 3.55Å; L151-Q193 PolarHBondContact O-N 3.48Å; L151-Q193 PolarHBondContact O-NE2 3.37Å; L151-Q193 PolarHBondContact O-OE1 3.24Å; S152-Q193 PolarHBondContact O-NE2 2.78Å; S152-Q193 PolarHBondContact OG-OE1 3.32Å
194G33.5Very low33.7Very low20 Ų20121.4 Ų121.421%0.20669%0.689CS.*  trans128.984.8161.900000122N148 P149 L150N148-G194 CarbonylContact C-O 3.58Å; P149-G194 CarbonylContact C-O 3.59Å; P149-G194 WeakPolarHBondContact CA-O 3.34Å; P149-G194 VanDerWaalsContact N-O 3.09Å; P149-G194 CarbonylContact O-C 3.57Å; P149-G194 WeakPolarHBondContact O-CA 3.2Å; P149-G194 PolarHBondContact O-N 3.34Å; L150-G194 VanDerWaalsContact C-N 3.28Å; L150-G194 PolarHBondContact O-N 3.04Å
195I35.4Very low33.7Very low132 Ų132123.6 Ų123.668%0.67769%0.691SS**  72.1150.5128.1-68.3164.4000118.9
196I40Very low33.7Very low140 Ų140122.2 Ų122.272%0.71869%0.691SS**  cis-157.2164.3-28.3-107.2174.7000110.6
197D36.1Very low33.7Very low109 Ų109122 Ų12258%0.58369%0.69SS**  trans0.1130.1162.7-65.9-48.9000123.8
198K37.2Very low33.5Very low186 Ų186120.1 Ų120.181%0.80969%0.685SS**  60.7139.791-69.5174.8-175.9153.30116.1
199S34.5Very low33.3Very low100 Ų100118.6 Ų118.670%0.69969%0.685SS**  cis-173.9-179.5-1.547.70000111.4
200T35.9Very low33.3Very low122 Ų122117.8 Ų117.875%0.74869%0.686SS**  trans103.2141.2148.6-18.60000120.3
201I34Very low33.1Very low142 Ų142114.5 Ų114.573%0.72868%0.682SS**  trans94.892.7155.8-52.9-167.6000119.7
202L31.8Very low33.1Very low148 Ų148117.6 Ų117.678%0.77570%0.697SS**  56.1113.2127-86.172.7000122.7
203S28.7Very low32.5Very low97 Ų97119.8 Ų119.868%0.67871%0.707SS**  56.4139.8119.271.70000123.2
204S30.8Very low32.6Very low103 Ų103120.5 Ų120.572%0.7272%0.719SS**  trans82.6106.2155.680.70000117.6
205L33.8Very low32.5Very low168 Ų168125.1 Ų125.188%0.8874%0.743SS**  -170.4155.5100.3-119.964.9000110.6
206S28.8Very low32.7Very low103 Ų103126.5 Ų126.572%0.7275%0.751SS**  trans-104.9168.1-177.449.40000112.4
207S31.5Very low32.4Very low112 Ų112127 Ų12778%0.78376%0.755SS**  trans71.2146.4175.3750000115.5
208T29Very low32.3Very low118 Ų118128.2 Ų128.272%0.72477%0.766SS**  cis-155.1152.218.9-33.90000110.9
209S29.9Very low32.2Very low98 Ų98128.7 Ų128.769%0.68577%0.771SS**  trans36.7137.7145.564.40000121
210T31.6Very low32.1Very low125 Ų125127 Ų12777%0.76777%0.769SS**  cis-170.4154.447.8-41.90000112
211S28.7Very low32.1Very low104 Ų104130 Ų13073%0.72778%0.775SS**  trans-36.1138.8172.7-34.40000120.3
212T33.1Very low32.2Very low152 Ų152131 Ų13193%0.93378%0.782SS**  -159.8142.2124.412.90000113.4
213T26.2Very low32.7Very low129 Ų129131.5 Ų131.579%0.79178%0.78SS**  trans-78.2147.5-175.1-42.50000112.9
214T33.5Very low33Very low123 Ų123134 Ų13476%0.75579%0.786SS**  170.6111.1120.1-61.20000112.5
215T31.3Very low33.5Very low116 Ų116134.9 Ų134.971%0.71278%0.781SS**  trans24.1116.2145.6-330000121
216I40.3Very low34.1Very low162 Ų162134.1 Ų134.183%0.83177%0.773SS**  -168.2142.7125.5-94.8150.5000108.9
217N33.7Very low35.2Very low150 Ų150136.4 Ų136.480%0.80277%0.772SS**  trans-75.8123.9-171.6-59.3-27000113.1
218T34.4Very low36.4Very low134 Ų134136.2 Ų136.282%0.82276%0.762SS**  trans-164.686.2148.327.70000109.4G220T218-G220 PolarHBondContact O-N 3.32Å; T218-G220 VanDerWaalsContact O-N 3.1Å
219H34.6Very low38.4Very low196 Ų196135.6 Ų135.691%0.90776%0.759SS**  trans-79.592.3171.7-92.2-72.4000110.3
220G33.9Very low41Very low64 Ų64133.7 Ų133.766%0.6675%0.745SS**  trans-81121.6154.800000109.1T218 N222T218-G220 PolarHBondContact O-N 3.32Å; T218-G220 VanDerWaalsContact O-N 3.1Å; G220-N222 PolarHBondContact O-N 3.44Å
221E34.2Very low43.7Very low187 Ų187133.5 Ų133.587%0.87474%0.739SS**  trans-7788.3174.2-66.6-173.8140.900109.6E223E221-E223 PolarHBondContact O-N 3.02Å
222N36.5Very low46.8Very low162 Ų162129.5 Ų129.587%0.86671%0.709SS**  trans-68.1119.1163.4-93.1-34.5000108.7G220 N224G220-N222 PolarHBondContact O-N 3.44Å; N222-N224 PolarHBondContact O-N 2.94Å
223E42.2Very low49.6Very low159 Ų159126.4 Ų126.474%0.74369%0.69SS**  trans-58126.3-174.6-62.5-163.8152.700112.4E221 I225E221-E223 PolarHBondContact O-N 3.02Å; E223-I225 VanDerWaalsContact C-N 3.28Å; E223-I225 HydrophobicContact CB-CG1 3.84Å; E223-I225 PolarHBondContact O-N 3.1Å
224N34.4Very low52.8Low149 Ų149120.8 Ų120.880%0.79766%0.655SS**  trans-74.290.2157-116.2-95.6000107.6N222 Q226N222-N224 PolarHBondContact O-N 2.94Å; N224-Q226 PolarHBondContact O-N 3.39Å
225I43.2Very low55.7Low122 Ų122116.4 Ų116.463%0.62663%0.625SS**  trans-72.966173.4-51.7178000109.2E223 Q227E223-I225 VanDerWaalsContact C-N 3.28Å; E223-I225 HydrophobicContact CB-CG1 3.84Å; E223-I225 PolarHBondContact O-N 3.1Å; I225-Q227 HydrophobicContact CG2-CG 3.91Å; I225-Q227 PolarHBondContact O-N 3.08Å
226Q44.4Very low58.7Low152 Ų152111 Ų11171%0.7159%0.591SS**  trans-88.292.2154.6-171134.3200105.7N224 N228N224-Q226 PolarHBondContact O-N 3.39Å; Q226-N228 PolarHBondContact O-N 3.09Å
227Q53.4Low61.3Low151 Ų151103.3 Ų103.371%0.70655%0.552SS**  trans-55.4111.4178.6-72.4-179-10.200108.7I225 T229I225-Q227 HydrophobicContact CG2-CG 3.91Å; I225-Q227 PolarHBondContact O-N 3.08Å; Q227-T229 PolarHBondContact O-N 3.28Å
228N55.3Low64Low107 Ų10796.4 Ų96.457%0.57252%0.515SS*.  trans-68.784.1176.9-79.3-32.1000109Q226 S230 L387Q226-N228 PolarHBondContact O-N 3.09Å; N228-S230 PolarHBondContact O-N 3.06Å; N228-L387 HydrophobicContact CB-CD1 4.35Å
229T72Confident66.7Low106 Ų10691.4 Ų91.465%0.6549%0.486SS*.  trans-72.615.817357.40000112.7Q227 L231Q227-T229 PolarHBondContact O-N 3.28Å; T229-L231 PolarHBondContact O-N 3.38Å
230S84.6Confident69.2Low57 Ų5783.5 Ų83.540%0.39946%0.457SS..PPolyproline II helixtrans-58.9121.7174.1-620000110.2N228 L232 L387N228-S230 PolarHBondContact O-N 3.06Å; S230-L232 PolarHBondContact O-N 2.72Å; S230-L387 VanDerWaalsContact CB-CD2 3.41Å
231L88.9Confident71.8Confident122 Ų12287.9 Ų87.964%0.63946%0.458SS*.PPolyproline II helixtrans-76.6121.2175.9-63.3176.7000109.6T229 T282T229-L231 PolarHBondContact O-N 3.38Å; L231-T282 HydrophobicContact CD2-CG2 4.23Å
232L92Very high74.5Confident20 Ų2081.6 Ų81.611%0.10543%0.428CS..EExtended strand (participates in β ladder)trans-96.9149.8172.5-69.6173.3000110.1S230 T280 G281 I286 C383 F386 L387S230-L232 PolarHBondContact O-N 2.72Å; L232-T280 WeakPolarHBondContact O-CA 3.3Å; L232-G281 PolarHBondContact N-O 2.75Å; L232-G281 PolarHBondContact O-N 2.69Å; L232-G281 VanDerWaalsContact O-N 3.13Å; L232-I286 HydrophobicContact CB-CD1 3.63Å; L232-C383 HydrophobicContact CD1-CB 3.56Å; L232-F386 HydrophobicContact CD2-CB 4.16Å; L232-L387 HydrophobicContact CD1-CD1 4.33Å; L232-L387 HydrophobicContact CD1-CD2 4.29Å; L232-L387 HydrophobicContact CD1-CG 4.07Å; L232-L387 HydrophobicContact CD2-CD2 3.66Å; L232-L387 HydrophobicContact CD2-CG 4.05Å; L232-L387 HydrophobicContact CG-CD2 3.98Å; L232-L387 HydrophobicContact CG-CG 4.3Å
233V93Very high77.1Confident87 Ų8773.9 Ų73.953%0.52739%0.387SS..EExtended strand (participates in β ladder)trans-120.2103.8172.9-177.70000108R235 T278 T280V233-R235 HydrophobicContact CG1-CG 4.41Å; V233-T278 HydrophobicContact CG1-CG2 3.69Å; V233-T280 HydrophobicContact CG2-CG2 3.87Å
234L93.7Very high79.4Confident10 Ų1068.1 Ų68.15%0.05237%0.37CS..EExtended strand (participates in β ladder)trans-96.6136.2172.6-63.8-171.9000110T278 I279 I286 F290 L322 I379 F386L234-T278 CarbonylContact O-C 3.56Å; L234-T278 WeakPolarHBondContact O-CA 3.36Å; L234-I279 PolarHBondContact N-O 2.99Å; L234-I279 PolarHBondContact O-N 3.15Å; L234-I286 HydrophobicContact CD1-CD1 4.5Å; L234-I286 HydrophobicContact CD1-CG2 3.61Å; L234-I286 HydrophobicContact CG-CD1 4.34Å; L234-I286 HydrophobicContact CG-CG2 4.49Å; L234-F290 HydrophobicContact CD1-CE2 3.84Å; L234-F290 HydrophobicContact CD1-CZ 4.32Å; L234-L322 HydrophobicContact CB-CD1 4.11Å; L234-L322 HydrophobicContact CD1-CD1 4.45Å; L234-L322 HydrophobicContact CD2-CD1 4.34Å; L234-I379 HydrophobicContact CD1-CG2 4.18Å; L234-F386 HydrophobicContact CD2-CD2 3.8Å; L234-F386 HydrophobicContact CD2-CE2 3.68Å
235R94.3Very high82.1Confident31 Ų3162.6 Ų62.612%0.11734%0.344CS..EExtended strand (participates in β ladder)trans-118.6130.9178.1-62.8-178.373.8-132.30.9108.7V233 I276 V277 T278 L322 L323 E363 Y398V233-R235 HydrophobicContact CG1-CG 4.41Å; R235-I276 HydrophobicContact CB-CG2 4.14Å; R235-I276 VanDerWaalsContact NH2-CD1 3.28Å; R235-V277 CarbonylContact C-O 3.01Å; R235-T278 HydrophobicContact CG-CG2 3.98Å; R235-L322 WeakPolarHBondContact O-CD1 3.46Å; R235-L323 HydrophobicContact CB-CB 4.02Å; R235-L323 HydrophobicContact CB-CD1 4.16Å; R235-L323 WeakPolarHBondContact O-CB 3.34Å; R235-L323 PolarHBondContact O-N 3.25Å; R235-E363 IonicContact CZ-OE1 3.56Å; R235-E363 IonicContact CZ-OE2 2.69Å; R235-E363 IonicContact NH1-OE1 3.85Å; R235-E363 PolarHBondContact NH1-OE1 3.49Å; R235-E363 IonicContact NH1-OE2 2.61Å; R235-E363 PolarHBondContact NH1-OE2 3.16Å; R235-Y398 PolarHBondContact NH2-O 3.46Å
236L94.4Very high84.4Confident2 Ų256.8 Ų56.81%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-126.5117.7-168.518059.1000108.3M238 I276 V277 F290 L320L236-M238 HydrophobicContact CD1-CE 4.37Å; L236-M238 HydrophobicContact CD2-CE 3.39Å; L236-M238 HydrophobicContact CD2-SD 4.13Å; L236-M238 HydrophobicContact CG-CE 3.78Å; L236-M238 HydrophobicContact CG-CG 4.18Å; L236-M238 HydrophobicContact CG-SD 4.2Å; L236-I276 CarbonylContact O-C 3.54Å; L236-I276 WeakPolarHBondContact O-CA 3.21Å; L236-V277 HydrophobicContact CB-CB 4.32Å; L236-V277 PolarHBondContact N-O 3.42Å; L236-V277 PolarHBondContact O-N 3.49Å; L236-F290 HydrophobicContact CD2-CE1 3.93Å; L236-F290 HydrophobicContact CD2-CZ 4.15Å; L236-L320 HydrophobicContact CD1-CB 4.05Å
237L93.5Very high86.7Confident2 Ų251.8 Ų51.81%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-86.7126.1178.7-174.866.9000109.1E274 I276 R321 L323 L358 T365 Y398L237-E274 HydrophobicContact CD1-CB 3.97Å; L237-I276 HydrophobicContact CD1-CG1 4Å; L237-R321 HydrophobicContact CB-CB 4.3Å; L237-R321 PolarHBondContact N-O 3.07Å; L237-L323 HydrophobicContact CB-CD1 4.32Å; L237-L323 HydrophobicContact CB-CD2 3.95Å; L237-L323 HydrophobicContact CB-CG 4.03Å; L237-L323 HydrophobicContact CD2-CD2 4.28Å; L237-L358 HydrophobicContact CD2-CD1 4.33Å; L237-T365 HydrophobicContact CD2-CG2 3.94Å; L237-Y398 HydrophobicContact CD1-CD1 4.29Å; L237-Y398 HydrophobicContact CD1-CE1 4.06Å
238M91.7Very high88.5Confident4 Ų445.3 Ų45.32%0.0227%0.266CS..EExtended strand (participates in β ladder)trans-140152.6-176.6-76.7176.9160.500110.7L236 E242 V243 E274 R275 V277 F297 L320L236-M238 HydrophobicContact CD1-CE 4.37Å; L236-M238 HydrophobicContact CD2-CE 3.39Å; L236-M238 HydrophobicContact CD2-SD 4.13Å; L236-M238 HydrophobicContact CG-CE 3.78Å; L236-M238 HydrophobicContact CG-CG 4.18Å; L236-M238 HydrophobicContact CG-SD 4.2Å; M238-E242 HydrophobicContact CB-CB 4.24Å; M238-E242 HydrophobicContact CG-CB 4.43Å; M238-V243 HydrophobicContact CB-CG2 3.37Å; M238-V243 HydrophobicContact CG-CG2 4.32Å; M238-V243 HydrophobicContact SD-CG2 4.09Å; M238-E274 CarbonylContact O-C 3.57Å; M238-E274 WeakPolarHBondContact O-CA 3.32Å; M238-R275 PolarHBondContact N-O 3.32Å; M238-R275 PolarHBondContact O-N 3.34Å; M238-R275 VanDerWaalsContact O-O 3.09Å; M238-V277 HydrophobicContact SD-CG2 3.92Å; M238-F297 HydrophobicContact CE-CE2 3.48Å; M238-F297 VanDerWaalsContact CE-CE2 3.48Å; M238-F297 HydrophobicContact CE-CZ 3.41Å; M238-F297 VanDerWaalsContact CE-CZ 3.41Å; M238-F297 HydrophobicContact SD-CZ 4.17Å; M238-L320 HydrophobicContact CE-CD2 3.59Å
239S90.3Very high90.2Very high30 Ų3049.1 Ų49.121%0.2128%0.277CS..EExtended strand (participates in β ladder)trans-77.4158.317067.30000111.4K241 E242 V243S239-K241 PolarHBondContact O-N 2.82Å; S239-K241 VanDerWaalsContact O-N 3.1Å; S239-K241 VanDerWaalsContact OG-CE 3.26Å; S239-K241 WeakPolarHBondContact OG-CE 3.3Å; S239-K241 WeakPolarHBondContact OG-CG 3.45Å; S239-E242 WeakPolarHBondContact CB-OE2 3.43Å; S239-E242 PolarHBondContact N-OE2 2.97Å; S239-E242 PolarHBondContact O-N 3.41Å; S239-E242 VanDerWaalsContact O-N 3.08Å; S239-E242 PolarHBondContact OG-OE1 3.2Å; S239-E242 PolarHBondContact OG-OE2 2.93Å; S239-V243 PolarHBondContact O-N 3.13Å
240G88.2Confident91.2Very high29 Ų2955.8 Ų55.830%0.29929%0.29SS..Hα-helixtrans-55.7-29.3-178.900000114.8G244 P273G240-G244 PolarHBondContact O-N 2.84Å; G240-P273 PolarHBondContact N-O 3.19Å
241K87.6Confident91.5Very high157 Ų15753.9 Ų53.968%0.68328%0.28SS*.Hα-helixtrans-67.8-47.3174.552.9167.7-172.5168.90112.2S239 G244 S245S239-K241 PolarHBondContact O-N 2.82Å; S239-K241 VanDerWaalsContact O-N 3.1Å; S239-K241 VanDerWaalsContact OG-CE 3.26Å; S239-K241 WeakPolarHBondContact OG-CE 3.3Å; S239-K241 WeakPolarHBondContact OG-CG 3.45Å; K241-G244 PolarHBondContact O-N 3Å; K241-S245 PolarHBondContact O-N 3.14Å
242E89.9Confident91.8Very high54 Ų5454.4 Ų54.425%0.25228%0.279SS..Hα-helixtrans-66.9-41.4-179.9-72.7137.1-165.500110.9M238 S239 G244 S245 I246 F297M238-E242 HydrophobicContact CB-CB 4.24Å; M238-E242 HydrophobicContact CG-CB 4.43Å; S239-E242 WeakPolarHBondContact CB-OE2 3.43Å; S239-E242 PolarHBondContact N-OE2 2.97Å; S239-E242 PolarHBondContact O-N 3.41Å; S239-E242 VanDerWaalsContact O-N 3.08Å; S239-E242 PolarHBondContact OG-OE1 3.2Å; S239-E242 PolarHBondContact OG-OE2 2.93Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 3.25Å; E242-S245 WeakPolarHBondContact O-CB 3.41Å; E242-S245 PolarHBondContact O-N 3.46Å; E242-I246 WeakPolarHBondContact O-CG1 3.35Å; E242-I246 PolarHBondContact O-N 3.46Å; E242-I246 VanDerWaalsContact O-N 3.15Å; E242-F297 HydrophobicContact CB-CE1 3.81Å; E242-F297 HydrophobicContact CB-CZ 4.12Å; E242-F297 HydrophobicContact CG-CE1 4.06Å
243V92.3Very high91.9Very high0 Ų055.2 Ų55.20%028%0.284CS..Hα-helixtrans-66.9-32.3174.1179.70000111.7M238 S239 I246 I247 I267 R275 V277M238-V243 HydrophobicContact CB-CG2 3.37Å; M238-V243 HydrophobicContact CG-CG2 4.32Å; M238-V243 HydrophobicContact SD-CG2 4.09Å; S239-V243 PolarHBondContact O-N 3.13Å; V243-I246 PolarHBondContact O-N 2.89Å; V243-I247 HydrophobicContact CG1-CD1 3.71Å; V243-I247 HydrophobicContact CG1-CG1 4.08Å; V243-I247 WeakPolarHBondContact O-CB 3.33Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.49Å; V243-I247 PolarHBondContact O-N 3.47Å; V243-I267 HydrophobicContact CG1-CD1 4.42Å; V243-I267 HydrophobicContact CG1-CG2 3.64Å; V243-R275 HydrophobicContact CG2-CB 3.98Å; V243-V277 HydrophobicContact CG2-CG2 4.11Å
244G90.8Very high92Very high38 Ų3851.4 Ų51.439%0.39226%0.26SS..Hα-helixtrans-58.5-46.2173.500000112.8G240 K241 E242 I247 G248G240-G244 PolarHBondContact O-N 2.84Å; K241-G244 PolarHBondContact O-N 3Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 3.25Å; G244-I247 PolarHBondContact O-N 2.99Å; G244-G248 PolarHBondContact O-N 3.02Å
245S90.1Very high92.1Very high34 Ų3458.9 Ų58.924%0.23829%0.288CS..Hα-helixtrans-57.9-48.2172.2-85.30000113.2K241 E242 G248 N253 D300K241-S245 PolarHBondContact O-N 3.14Å; E242-S245 WeakPolarHBondContact O-CB 3.41Å; E242-S245 PolarHBondContact O-N 3.46Å; S245-G248 PolarHBondContact O-N 3.09Å; S245-N253 PolarHBondContact O-ND2 2.91Å; S245-D300 WeakPolarHBondContact CB-OD2 3.46Å; S245-D300 PolarHBondContact OG-OD2 2.78Å
246I92.3Very high92.1Very high0 Ų062.5 Ų62.50%031%0.305CS..Hα-helixtrans-68.2-34.9-179.6-66.8-54.7000112.6E242 V243 N253 V254 Y257 M293 F297E242-I246 WeakPolarHBondContact O-CG1 3.35Å; E242-I246 PolarHBondContact O-N 3.46Å; E242-I246 VanDerWaalsContact O-N 3.15Å; V243-I246 PolarHBondContact O-N 2.89Å; I246-N253 WeakPolarHBondContact O-CB 3.45Å; I246-V254 PolarHBondContact O-N 2.92Å; I246-Y257 HydrophobicContact CB-CE2 4.48Å; I246-Y257 HydrophobicContact CD1-CE2 4.12Å; I246-Y257 HydrophobicContact CG2-CD2 4.23Å; I246-Y257 HydrophobicContact CG2-CE2 3.92Å; I246-Y257 VanDerWaalsContact O-CE2 3.3Å; I246-Y257 WeakPolarHBondContact O-CE2 3.34Å; I246-M293 HydrophobicContact CD1-CB 3.85Å; I246-M293 HydrophobicContact CD1-CG 3.93Å; I246-M293 HydrophobicContact CG2-CE 4.47Å; I246-M293 HydrophobicContact CG2-SD 4.38Å; I246-F297 HydrophobicContact CD1-CD2 4.26Å; I246-F297 HydrophobicContact CD1-CE1 4.23Å; I246-F297 HydrophobicContact CD1-CE2 3.63Å; I246-F297 HydrophobicContact CD1-CZ 3.61Å; I246-F297 HydrophobicContact CG1-CE1 4.04Å; I246-F297 HydrophobicContact CG1-CE2 3.85Å; I246-F297 HydrophobicContact CG1-CZ 3.36Å
247I92.9Very high92.2Very high46 Ų4662.6 Ų62.624%0.23631%0.305CS..Hα-helixtrans-66.7-45170.7-67.6170.1000110V243 G244 G251 N253 V254 I267V243-I247 HydrophobicContact CG1-CD1 3.71Å; V243-I247 HydrophobicContact CG1-CG1 4.08Å; V243-I247 WeakPolarHBondContact O-CB 3.33Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.49Å; V243-I247 PolarHBondContact O-N 3.47Å; G244-I247 PolarHBondContact O-N 2.99Å; I247-G251 CarbonylContact O-C 3.55Å; I247-G251 VanDerWaalsContact O-C 3.25Å; I247-G251 WeakPolarHBondContact O-CA 3.2Å; I247-N253 PolarHBondContact O-N 3.19Å; I247-V254 HydrophobicContact CG2-CG1 4.3Å; I247-V254 PolarHBondContact O-N 3.07Å; I247-I267 HydrophobicContact CD1-CD1 4.16Å; I247-I267 HydrophobicContact CG1-CD1 3.57Å
248G90.7Very high92.3Very high16 Ų1667.5 Ų67.517%0.16532%0.323CS..  trans72.6171.2-174.100000113G244 S245 R250 G251G244-G248 PolarHBondContact O-N 3.02Å; S245-G248 PolarHBondContact O-N 3.09Å; G248-R250 PolarHBondContact O-N 3.3Å; G248-G251 PolarHBondContact O-N 3.36Å
249K90.8Very high92.5Very high187 Ų18774.8 Ų74.881%0.81336%0.357SS*.G310 helixtrans-59.6136.2173.8-63.8176.4-175.7173.30108.8G251 E252K249-G251 PolarHBondContact O-N 3.32Å; K249-E252 WeakPolarHBondContact O-CB 3.43Å; K249-E252 PolarHBondContact O-N 2.82Å; K249-E252 VanDerWaalsContact O-N 3.12Å
250R92.9Very high92.8Very high245 Ų24578 Ų7893%0.92537%0.369SS*.G310 helixtrans56.212.8-177.4-58.6177.4172.4175.5-3.4116G248 E252G248-R250 PolarHBondContact O-N 3.3Å; R250-E252 VanDerWaalsContact C-N 3.28Å
251G92.3Very high93.2Very high18 Ų1876.8 Ų76.819%0.18636%0.356CS..G310 helixtrans73.318.2-174.800000114.2I247 G248 K249 V254 R255I247-G251 CarbonylContact O-C 3.55Å; I247-G251 VanDerWaalsContact O-C 3.25Å; I247-G251 WeakPolarHBondContact O-CA 3.2Å; G248-G251 PolarHBondContact O-N 3.36Å; K249-G251 PolarHBondContact O-N 3.32Å; G251-V254 WeakPolarHBondContact O-CG1 3.41Å; G251-R255 WeakPolarHBondContact O-CB 3.33Å; G251-R255 PolarHBondContact O-N 3.34Å; G251-R255 VanDerWaalsContact O-N 3.07Å
252E94.5Very high93.5Very high133 Ų13371.5 Ų71.562%0.62135%0.346SS*.Hα-helixtrans-66.3-46.9-175.3-172.7173.5175.200112.4K249 R250 V254 R255 K256K249-E252 WeakPolarHBondContact O-CB 3.43Å; K249-E252 PolarHBondContact O-N 2.82Å; K249-E252 VanDerWaalsContact O-N 3.12Å; R250-E252 VanDerWaalsContact C-N 3.28Å; E252-V254 PolarHBondContact O-N 3.22Å; E252-R255 WeakPolarHBondContact O-CB 3.47Å; E252-R255 PolarHBondContact O-N 2.85Å; E252-K256 PolarHBondContact O-N 3.28Å
253N94.6Very high93.7Very high37 Ų3769.1 Ų69.120%0.19834%0.335CS..Hα-helixtrans-59.6-50.4178.6-74.1-9.6000111.3S245 I246 I247 R255 K256 Y257S245-N253 PolarHBondContact O-ND2 2.91Å; I246-N253 WeakPolarHBondContact O-CB 3.45Å; I247-N253 PolarHBondContact O-N 3.19Å; N253-R255 VanDerWaalsContact C-N 3.28Å; N253-R255 PolarHBondContact O-N 3.12Å; N253-K256 WeakPolarHBondContact O-CB 2.74Å; N253-K256 PolarHBondContact O-N 3.34Å; N253-Y257 HydrophobicContact CB-CE2 3.96Å; N253-Y257 WeakPolarHBondContact O-CD1 3.47Å; N253-Y257 VanDerWaalsContact O-CD2 3.29Å; N253-Y257 WeakPolarHBondContact O-CD2 3.29Å; N253-Y257 PolarHBondContact O-N 3.42Å
254V94.7Very high93.9Very high7 Ų777.6 Ų77.64%0.04237%0.367CS..Hα-helixtrans-68.1-26.5179.667.30000112.9I246 I247 G251 E252 R258 I265 I267I246-V254 PolarHBondContact O-N 2.92Å; I247-V254 HydrophobicContact CG2-CG1 4.3Å; I247-V254 PolarHBondContact O-N 3.07Å; G251-V254 WeakPolarHBondContact O-CG1 3.41Å; E252-V254 PolarHBondContact O-N 3.22Å; V254-R258 WeakPolarHBondContact O-CD 3.45Å; V254-R258 VanDerWaalsContact O-CG 3.29Å; V254-R258 WeakPolarHBondContact O-CG 3.49Å; V254-R258 PolarHBondContact O-N 3.02Å; V254-I265 HydrophobicContact CG2-CG2 4.2Å; V254-I267 HydrophobicContact CG2-CD1 3.84Å
255R95.2Very high94.1Very high166 Ų16676 Ų7663%0.62635%0.35SS*.Hα-helixtrans-66-52169.4-173.7-174.5-57.8-178.22110.3G251 E252 N253 Y257 R258 E259G251-R255 WeakPolarHBondContact O-CB 3.33Å; G251-R255 PolarHBondContact O-N 3.34Å; G251-R255 VanDerWaalsContact O-N 3.07Å; E252-R255 WeakPolarHBondContact O-CB 3.47Å; E252-R255 PolarHBondContact O-N 2.85Å; N253-R255 VanDerWaalsContact C-N 3.28Å; N253-R255 PolarHBondContact O-N 3.12Å; R255-Y257 VanDerWaalsContact C-N 3.31Å; R255-Y257 PolarHBondContact O-N 3.24Å; R255-R258 PolarHBondContact O-N 3.47Å; R255-R258 VanDerWaalsContact O-N 3.12Å; R255-E259 PolarHBondContact O-N 2.83Å; R255-E259 VanDerWaalsContact O-N 3.08Å
256K95.5Very high94.3Very high108 Ų10878.5 Ų78.547%0.4736%0.361SS..Hα-helixtrans-53.5-46.8176.4176.6175.1173173.80111.6E252 N253 R258 E259 E260E252-K256 PolarHBondContact O-N 3.28Å; N253-K256 WeakPolarHBondContact O-CB 2.74Å; N253-K256 PolarHBondContact O-N 3.34Å; K256-R258 VanDerWaalsContact C-N 3.33Å; K256-R258 PolarHBondContact O-N 2.91Å; K256-E259 PolarHBondContact O-N 2.57Å; K256-E260 WeakPolarHBondContact CE-OE2 3.39Å; K256-E260 IonicContact NZ-OE2 2.69Å; K256-E260 WeakPolarHBondContact O-CB 3.41Å; K256-E260 PolarHBondContact O-N 3.12Å
257Y95.8Very high94.4Very high3 Ų379.8 Ų79.81%0.01237%0.367CS..Hα-helixtrans-62.3-38179.9-53.5-31.1000112.9I246 N253 R255 S261 L292 M293 K296I246-Y257 HydrophobicContact CB-CE2 4.48Å; I246-Y257 HydrophobicContact CD1-CE2 4.12Å; I246-Y257 HydrophobicContact CG2-CD2 4.23Å; I246-Y257 HydrophobicContact CG2-CE2 3.92Å; I246-Y257 VanDerWaalsContact O-CE2 3.3Å; I246-Y257 WeakPolarHBondContact O-CE2 3.34Å; N253-Y257 HydrophobicContact CB-CE2 3.96Å; N253-Y257 WeakPolarHBondContact O-CD1 3.47Å; N253-Y257 VanDerWaalsContact O-CD2 3.29Å; N253-Y257 WeakPolarHBondContact O-CD2 3.29Å; N253-Y257 PolarHBondContact O-N 3.42Å; R255-Y257 VanDerWaalsContact C-N 3.31Å; R255-Y257 PolarHBondContact O-N 3.24Å; Y257-S261 VanDerWaalsContact O-CB 3.24Å; Y257-S261 WeakPolarHBondContact O-CB 3.29Å; Y257-S261 PolarHBondContact O-N 2.85Å; Y257-S261 VanDerWaalsContact O-N 3.12Å; Y257-S261 PolarHBondContact O-OG 3.27Å; Y257-L292 HydrophobicContact CD1-CB 3.66Å; Y257-L292 HydrophobicContact CD1-CD1 4.21Å; Y257-L292 HydrophobicContact CE1-CB 3.88Å; Y257-M293 HydrophobicContact CD2-CE 4.15Å; Y257-M293 HydrophobicContact CD2-CG 4.08Å; Y257-M293 HydrophobicContact CE2-CG 4.13Å; Y257-K296 HydrophobicContact CE1-CG 4.32Å; Y257-K296 VanDerWaalsContact OH-CB 3.26Å; Y257-K296 WeakPolarHBondContact OH-CB 3.24Å; Y257-K296 WeakPolarHBondContact OH-CD 3.45Å; Y257-K296 WeakPolarHBondContact OH-CG 3.45Å
258R95.5Very high94.2Very high105 Ų10579.4 Ų79.440%0.39637%0.369SS..Hα-helixtrans-67.5-37.1177.1-71.4167.7180138-2112.2V254 R255 K256 G262 I265V254-R258 WeakPolarHBondContact O-CD 3.45Å; V254-R258 VanDerWaalsContact O-CG 3.29Å; V254-R258 WeakPolarHBondContact O-CG 3.49Å; V254-R258 PolarHBondContact O-N 3.02Å; R255-R258 PolarHBondContact O-N 3.47Å; R255-R258 VanDerWaalsContact O-N 3.12Å; K256-R258 VanDerWaalsContact C-N 3.33Å; K256-R258 PolarHBondContact O-N 2.91Å; R258-G262 WeakPolarHBondContact O-CA 3.39Å; R258-G262 PolarHBondContact O-N 3.04Å; R258-I265 HydrophobicContact CG-CB 3.91Å; R258-I265 HydrophobicContact CG-CD1 4.07Å; R258-I265 HydrophobicContact CG-CG1 4.28Å; R258-I265 VanDerWaalsContact CZ-O 3.27Å; R258-I265 PolarHBondContact NE-O 2.81Å; R258-I265 PolarHBondContact NH2-O 2.79Å
259E96.2Very high93.9Very high157 Ų15785.5 Ų85.573%0.73440%0.397SS*.Hα-helixtrans-74.7-49.7-179.8-174.1170.3-172.100111.9R255 K256R255-E259 PolarHBondContact O-N 2.83Å; R255-E259 VanDerWaalsContact O-N 3.08Å; K256-E259 PolarHBondContact O-N 2.57Å
260E96.2Very high93.3Very high97 Ų9778.7 Ų78.745%0.45338%0.38SS..Hα-helixtrans-74.7-33.5-174.9-170.2174.8178.100113.2K256 L292K256-E260 WeakPolarHBondContact CE-OE2 3.39Å; K256-E260 IonicContact NZ-OE2 2.69Å; K256-E260 WeakPolarHBondContact O-CB 3.41Å; K256-E260 PolarHBondContact O-N 3.12Å; E260-L292 HydrophobicContact CB-CD1 3.8Å; E260-L292 HydrophobicContact CG-CD1 3.75Å; E260-L292 WeakPolarHBondContact OE2-CD1 3.48Å; E260-L292 WeakPolarHBondContact OE2-CD2 3.42Å
261S95.7Very high92.5Very high5 Ų571.4 Ų71.44%0.03537%0.366CS..Hα-helixtrans-88.2-19.7176.971.70000114.4Y257 A263 Q285Y257-S261 VanDerWaalsContact O-CB 3.24Å; Y257-S261 WeakPolarHBondContact O-CB 3.29Å; Y257-S261 PolarHBondContact O-N 2.85Å; Y257-S261 VanDerWaalsContact O-N 3.12Å; Y257-S261 PolarHBondContact O-OG 3.27Å; S261-A263 PolarHBondContact O-N 2.9Å; S261-A263 VanDerWaalsContact O-N 3.09Å; S261-A263 WeakPolarHBondContact OG-CB 3.3Å; S261-A263 PolarHBondContact OG-N 2.92Å; S261-Q285 WeakPolarHBondContact CB-O 3.42Å; S261-Q285 WeakPolarHBondContact O-CA 3.43Å; S261-Q285 VanDerWaalsContact O-CB 3.3Å; S261-Q285 WeakPolarHBondContact O-CB 3.34Å; S261-Q285 WeakPolarHBondContact O-CG 3Å
262G94.9Very high91.9Very high46 Ų4671.1 Ų71.147%0.47436%0.362SS..  trans62.83.5-166.500000114.9R258R258-G262 WeakPolarHBondContact O-CA 3.39Å; R258-G262 PolarHBondContact O-N 3.04Å
263A94.9Very high91.5Very high3 Ų368.6 Ų68.63%0.02536%0.357CS..  trans-82.2141.9-179.800000111.9S261 I265 I279 Q285 A289S261-A263 PolarHBondContact O-N 2.9Å; S261-A263 VanDerWaalsContact O-N 3.09Å; S261-A263 WeakPolarHBondContact OG-CB 3.3Å; S261-A263 PolarHBondContact OG-N 2.92Å; A263-I265 PolarHBondContact O-N 2.79Å; A263-I279 HydrophobicContact CB-CG2 3.92Å; A263-Q285 HydrophobicContact CB-CB 4.17Å; A263-A289 HydrophobicContact CB-CB 4.37Å
264R95.3Very high91.2Very high178 Ų17869.1 Ų69.167%0.67236%0.358SS*.EExtended strand (participates in β ladder)trans-78.195.2173.8-178.8173.6177.2-1104109.8T280R264-T280 PolarHBondContact N-O 3.44Å; R264-T280 PolarHBondContact O-N 2.91Å
265I95.5Very high91.1Very high5 Ų571.9 Ų71.93%0.02637%0.368CS..EExtended strand (participates in β ladder)trans-92.4112177.6-57161.9000110V254 R258 A263 V277 T278 I279 M293V254-I265 HydrophobicContact CG2-CG2 4.2Å; R258-I265 HydrophobicContact CG-CB 3.91Å; R258-I265 HydrophobicContact CG-CD1 4.07Å; R258-I265 HydrophobicContact CG-CG1 4.28Å; R258-I265 VanDerWaalsContact CZ-O 3.27Å; R258-I265 PolarHBondContact NE-O 2.81Å; R258-I265 PolarHBondContact NH2-O 2.79Å; A263-I265 PolarHBondContact O-N 2.79Å; I265-V277 HydrophobicContact CG2-CG1 3.85Å; I265-T278 CarbonylContact C-O 3.16Å; I265-T278 WeakPolarHBondContact CA-O 3.37Å; I265-I279 HydrophobicContact CG1-CG1 4.31Å; I265-I279 HydrophobicContact CG1-CG2 4.25Å; I265-M293 HydrophobicContact CD1-CE 3.62Å; I265-M293 HydrophobicContact CG1-CE 4.16Å; I265-M293 HydrophobicContact CG2-CE 4.14Å
266N94.5Very high90.9Very high87 Ų8764.2 Ų64.247%0.46534%0.339SS..EExtended strand (participates in β ladder)trans-105.9148.7172-166.67.9000110.4V277 T278N266-V277 CarbonylContact O-C 2.76Å; N266-V277 WeakPolarHBondContact O-CA 3.2Å; N266-T278 PolarHBondContact N-O 3.33Å; N266-T278 PolarHBondContact O-N 3.13Å
267I93Very high90.9Very high27 Ų2759 Ų5914%0.13832%0.317CS..EExtended strand (participates in β ladder)trans-130.7127.2-180-58-179.8000107.5V243 I247 V254 V277V243-I267 HydrophobicContact CG1-CD1 4.42Å; V243-I267 HydrophobicContact CG1-CG2 3.64Å; I247-I267 HydrophobicContact CD1-CD1 4.16Å; I247-I267 HydrophobicContact CG1-CD1 3.57Å; V254-I267 HydrophobicContact CG2-CD1 3.84Å; I267-V277 HydrophobicContact CG1-CG1 4.35Å; I267-V277 HydrophobicContact CG1-CG2 4.29Å
268S89.6Confident90.9Very high38 Ų3860.3 Ų60.327%0.26633%0.325SS..  trans-64.5155179.272.10000112.8R275 I276S268-R275 WeakPolarHBondContact OG-CA 3.47Å; S268-I276 PolarHBondContact N-O 3.13Å; S268-I276 PolarHBondContact OG-N 2.98Å
269D84.6Confident90.9Very high144 Ų14455.3 Ų55.377%0.7731%0.306SS*.  trans-56.4152.6-177.5-58.8-59.9000114.4S271D269-S271 VanDerWaalsContact C-N 3.26Å; D269-S271 PolarHBondContact O-N 3.08Å; D269-S271 VanDerWaalsContact O-N 3.16Å
270G77.1Confident90.8Very high43 Ų4349.2 Ų49.244%0.44328%0.28SS..THydrogen-bonded Turntrans-78.33-165.700000117.2S272 R275G270-S272 VanDerWaalsContact C-N 3.27Å; G270-S272 PolarHBondContact O-N 3.31Å; G270-R275 PolarHBondContact O-NH2 3.39Å; G270-R275 VanDerWaalsContact O-NH2 3.17Å
271S77.7Confident90.7Very high92 Ų9244.7 Ų44.764%0.64326%0.259SS*.THydrogen-bonded Turntrans-74.3-11.2-171.9-1690000114.8D269 P402D269-S271 VanDerWaalsContact C-N 3.26Å; D269-S271 PolarHBondContact O-N 3.08Å; D269-S271 VanDerWaalsContact O-N 3.16Å; S271-P402 WeakPolarHBondContact OG-CB 3.31Å
272S78.8Confident90.7Very high12 Ų1246 Ų468%0.08427%0.267CS..SBendtrans-114.5145.3-178.1-610000110.7G270 E274 P400 K401 P402G270-S272 VanDerWaalsContact C-N 3.27Å; G270-S272 PolarHBondContact O-N 3.31Å; S272-E274 VanDerWaalsContact C-N 3.27Å; S272-E274 CarbonylContact C-O 3.48Å; S272-E274 WeakPolarHBondContact CB-O 3.37Å; S272-E274 PolarHBondContact O-N 2.92Å; S272-P400 PolarHBondContact OG-O 2.87Å; S272-K401 PolarHBondContact OG-O 2.75Å; S272-P402 WeakPolarHBondContact OG-CA 3.28Å
273P85.6Confident90.6Very high81 Ų8144.6 Ų44.653%0.52625%0.249SC..SBendtrans-68.6-28.7179.528.7-35.5000112.3G240 V403G240-P273 PolarHBondContact N-O 3.19Å; P273-V403 HydrophobicContact CG-CG2 3.82Å
274E88.1Confident90.5Very high48 Ų4848.6 Ų48.622%0.22427%0.267CS..EExtended strand (participates in β ladder)trans-96.9137.7163.3-62.6-169.8137.600109.6L237 M238 S272 R321 P400L237-E274 HydrophobicContact CD1-CB 3.97Å; M238-E274 CarbonylContact O-C 3.57Å; M238-E274 WeakPolarHBondContact O-CA 3.32Å; S272-E274 VanDerWaalsContact C-N 3.27Å; S272-E274 CarbonylContact C-O 3.48Å; S272-E274 WeakPolarHBondContact CB-O 3.37Å; S272-E274 PolarHBondContact O-N 2.92Å; E274-R321 IonicContact OE1-CZ 3.51Å; E274-R321 IonicContact OE1-NH1 3.38Å; E274-R321 PolarHBondContact OE1-NH1 3.21Å; E274-P400 HydrophobicContact CB-CB 4.45Å; E274-P400 WeakPolarHBondContact O-CG 3.47Å
275R92.5Very high90.5Very high65 Ų6543 Ų4325%0.24525%0.249CC..EExtended strand (participates in β ladder)trans-126.5153.7177.8-64.1-179.5-170.4-168.6-2.8109.5M238 V243 S268 G270M238-R275 PolarHBondContact N-O 3.32Å; M238-R275 PolarHBondContact O-N 3.34Å; M238-R275 VanDerWaalsContact O-O 3.09Å; V243-R275 HydrophobicContact CG2-CB 3.98Å; S268-R275 WeakPolarHBondContact OG-CA 3.47Å; G270-R275 PolarHBondContact O-NH2 3.39Å; G270-R275 VanDerWaalsContact O-NH2 3.17Å
276I92.9Very high90.5Very high4 Ų442.8 Ų42.82%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-111.3120.2-179.4-56.3177.8000109.2R235 L236 L237 S268 L323 Y398R235-I276 HydrophobicContact CB-CG2 4.14Å; R235-I276 VanDerWaalsContact NH2-CD1 3.28Å; L236-I276 CarbonylContact O-C 3.54Å; L236-I276 WeakPolarHBondContact O-CA 3.21Å; L237-I276 HydrophobicContact CD1-CG1 4Å; S268-I276 PolarHBondContact N-O 3.13Å; S268-I276 PolarHBondContact OG-N 2.98Å; I276-L323 HydrophobicContact CD1-CD1 3.87Å; I276-L323 HydrophobicContact CG1-CD1 4.21Å; I276-L323 HydrophobicContact CG2-CD1 4.07Å; I276-Y398 HydrophobicContact CD1-CD1 3.95Å; I276-Y398 WeakPolarHBondContact CD1-O 3.46Å
277V94.7Very high90.5Very high0 Ų042 Ų420%024%0.239CC..EExtended strand (participates in β ladder)trans-91120.1168.3-175.70000107.5R235 L236 M238 V243 I265 N266 I267 I279R235-V277 CarbonylContact C-O 3.01Å; L236-V277 HydrophobicContact CB-CB 4.32Å; L236-V277 PolarHBondContact N-O 3.42Å; L236-V277 PolarHBondContact O-N 3.49Å; M238-V277 HydrophobicContact SD-CG2 3.92Å; V243-V277 HydrophobicContact CG2-CG2 4.11Å; I265-V277 HydrophobicContact CG2-CG1 3.85Å; N266-V277 CarbonylContact O-C 2.76Å; N266-V277 WeakPolarHBondContact O-CA 3.2Å; I267-V277 HydrophobicContact CG1-CG1 4.35Å; I267-V277 HydrophobicContact CG1-CG2 4.29Å; V277-I279 HydrophobicContact CG1-CG1 4.12Å
278T94.7Very high90.6Very high29 Ų2943.6 Ų43.618%0.17825%0.246CC..EExtended strand (participates in β ladder)trans-108.3118.7177.5-57.40000108.8V233 L234 R235 I265 N266V233-T278 HydrophobicContact CG1-CG2 3.69Å; L234-T278 CarbonylContact O-C 3.56Å; L234-T278 WeakPolarHBondContact O-CA 3.36Å; R235-T278 HydrophobicContact CG-CG2 3.98Å; I265-T278 CarbonylContact C-O 3.16Å; I265-T278 WeakPolarHBondContact CA-O 3.37Å; N266-T278 PolarHBondContact N-O 3.33Å; N266-T278 PolarHBondContact O-N 3.13Å
279I95.6Very high90.9Very high1 Ų141.8 Ų41.81%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-110.4123.5-178.9-52.7177.8000107.4L234 A263 I265 V277 I286 A289 F290 M293L234-I279 PolarHBondContact N-O 2.99Å; L234-I279 PolarHBondContact O-N 3.15Å; A263-I279 HydrophobicContact CB-CG2 3.92Å; I265-I279 HydrophobicContact CG1-CG1 4.31Å; I265-I279 HydrophobicContact CG1-CG2 4.25Å; V277-I279 HydrophobicContact CG1-CG1 4.12Å; I279-I286 HydrophobicContact CG2-CG1 4.15Å; I279-A289 HydrophobicContact CG2-CB 4.32Å; I279-F290 HydrophobicContact CD1-CD2 4.14Å; I279-F290 HydrophobicContact CD1-CE2 3.65Å; I279-F290 HydrophobicContact CD1-CZ 4.05Å; I279-M293 HydrophobicContact CD1-CE 3.72Å; I279-M293 HydrophobicContact CD1-SD 3.92Å; I279-M293 HydrophobicContact CG1-CE 4.42Å
280T94.2Very high91.3Very high29 Ų2935 Ų3518%0.17820%0.197CC..EExtended strand (participates in β ladder)trans-122.6127.6178-54.20000110.6L232 V233 R264L232-T280 WeakPolarHBondContact O-CA 3.3Å; V233-T280 HydrophobicContact CG2-CG2 3.87Å; R264-T280 PolarHBondContact N-O 3.44Å; R264-T280 PolarHBondContact O-N 2.91Å
281G94.7Very high92.1Very high2 Ų233.7 Ų33.72%0.02118%0.181CC..EExtended strand (participates in β ladder)trans175.5-174.7-178.500000112L232 I286L232-G281 PolarHBondContact N-O 2.75Å; L232-G281 PolarHBondContact O-N 2.69Å; L232-G281 VanDerWaalsContact O-N 3.13Å; G281-I286 WeakPolarHBondContact O-CD1 3.39Å
282T95.1Very high92.8Very high32 Ų3230.4 Ų30.420%0.19616%0.156CC..  trans-73.5166.4167.866.90000111L231 E284 Q285 I286L231-T282 HydrophobicContact CD2-CG2 4.23Å; T282-E284 PolarHBondContact O-N 2.69Å; T282-Q285 PolarHBondContact O-N 3.15Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.37Å; T282-Q285 PolarHBondContact OG1-N 2.88Å; T282-I286 WeakPolarHBondContact O-CB 3.29Å; T282-I286 WeakPolarHBondContact O-CG1 3.44Å; T282-I286 PolarHBondContact O-N 3.13Å
283T92.7Very high93.5Very high16 Ų1629.9 Ų29.910%0.09815%0.153CC..Hα-helixtrans-51-39.8175-57.70000112.7Y287 R380 C383T283-Y287 VanDerWaalsContact O-CB 3.29Å; T283-Y287 WeakPolarHBondContact O-CB 3.26Å; T283-Y287 PolarHBondContact O-N 3.03Å; T283-R380 HydrophobicContact CG2-CG 4.26Å; T283-C383 HydrophobicContact CG2-CB 3.67Å
284E94Very high93.8Very high88 Ų8826 Ų2641%0.41113%0.127SC..Hα-helixtrans-72.3-43.2-179.2-162.762.1-14900112.4T282 I286 Y287 I288 R380T282-E284 PolarHBondContact O-N 2.69Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.39Å; E284-Y287 WeakPolarHBondContact O-CB 3.33Å; E284-Y287 PolarHBondContact O-N 3.38Å; E284-I288 WeakPolarHBondContact O-CG1 3.28Å; E284-I288 PolarHBondContact O-N 3.47Å; E284-R380 IonicContact OE1-NH1 3.8Å; E284-R380 IonicContact OE2-CZ 3.94Å; E284-R380 IonicContact OE2-NH1 3.32Å; E284-R380 PolarHBondContact OE2-NH1 3.04Å; E284-R380 IonicContact OE2-NH2 3.61Å; E284-R380 PolarHBondContact OE2-NH2 3.02Å
285Q95.3Very high94Very high61 Ų6129.8 Ų29.829%0.28514%0.14SC..Hα-helixtrans-61.5-42.5174.8-67.6176.6-33.200111.2S261 A263 T282 A289S261-Q285 WeakPolarHBondContact CB-O 3.42Å; S261-Q285 WeakPolarHBondContact O-CA 3.43Å; S261-Q285 VanDerWaalsContact O-CB 3.3Å; S261-Q285 WeakPolarHBondContact O-CB 3.34Å; S261-Q285 WeakPolarHBondContact O-CG 3Å; A263-Q285 HydrophobicContact CB-CB 4.17Å; T282-Q285 PolarHBondContact O-N 3.15Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.37Å; T282-Q285 PolarHBondContact OG1-N 2.88Å; Q285-A289 WeakPolarHBondContact O-CB 3.31Å; Q285-A289 PolarHBondContact O-N 3.4Å
286I95.1Very high93.9Very high0 Ų029.3 Ų29.30%014%0.139CC..Hα-helixtrans-63.9-44.7176.1-72.4170.6000110.7L232 L234 I279 G281 T282 E284 I288 A289 F290 I379L232-I286 HydrophobicContact CB-CD1 3.63Å; L234-I286 HydrophobicContact CD1-CD1 4.5Å; L234-I286 HydrophobicContact CD1-CG2 3.61Å; L234-I286 HydrophobicContact CG-CD1 4.34Å; L234-I286 HydrophobicContact CG-CG2 4.49Å; I279-I286 HydrophobicContact CG2-CG1 4.15Å; G281-I286 WeakPolarHBondContact O-CD1 3.39Å; T282-I286 WeakPolarHBondContact O-CB 3.29Å; T282-I286 WeakPolarHBondContact O-CG1 3.44Å; T282-I286 PolarHBondContact O-N 3.13Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.39Å; I286-I288 PolarHBondContact O-N 3.42Å; I286-A289 PolarHBondContact O-N 3.14Å; I286-F290 HydrophobicContact CG2-CD2 3.73Å; I286-F290 HydrophobicContact CG2-CE2 3.9Å; I286-F290 WeakPolarHBondContact O-CD2 3.26Å; I286-F290 PolarHBondContact O-N 2.86Å; I286-I379 HydrophobicContact CG2-CG2 3.91Å
287Y94.6Very high93.7Very high71 Ų7130.3 Ų30.328%0.27814%0.143SC..Hα-helixtrans-55.7-51.2177.1174.7-106.8000111.5T283 E284 A289 F290 T291 S376 R380T283-Y287 VanDerWaalsContact O-CB 3.29Å; T283-Y287 WeakPolarHBondContact O-CB 3.26Å; T283-Y287 PolarHBondContact O-N 3.03Å; E284-Y287 WeakPolarHBondContact O-CB 3.33Å; E284-Y287 PolarHBondContact O-N 3.38Å; Y287-A289 PolarHBondContact O-N 3.42Å; Y287-F290 PolarHBondContact O-N 2.86Å; Y287-T291 PolarHBondContact O-N 3.35Å; Y287-T291 PolarHBondContact O-OG1 3.21Å; Y287-S376 WeakPolarHBondContact CD2-O 3.46Å; Y287-S376 WeakPolarHBondContact CE2-O 3.49Å; Y287-R380 HydrophobicContact CD2-CB 4.18Å
288I95.1Very high93.3Very high59 Ų5932.5 Ų32.530%0.30315%0.154SC..Hα-helixtrans-59.1-46.2176.8-62.7164.1000111E284 I286 F290 T291 L292E284-I288 WeakPolarHBondContact O-CG1 3.28Å; E284-I288 PolarHBondContact O-N 3.47Å; I286-I288 PolarHBondContact O-N 3.42Å; I288-F290 PolarHBondContact O-N 3.23Å; I288-T291 PolarHBondContact O-N 2.99Å; I288-L292 HydrophobicContact CG2-CD1 4.07Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 3.21Å; I288-L292 VanDerWaalsContact O-N 3.1Å
289A95.2Very high92.9Very high0 Ų034.1 Ų34.10%016%0.161CC..Hα-helixtrans-58-46.1178.100000112.1A263 I279 Q285 I286 Y287 L292 M293A263-A289 HydrophobicContact CB-CB 4.37Å; I279-A289 HydrophobicContact CG2-CB 4.32Å; Q285-A289 WeakPolarHBondContact O-CB 3.31Å; Q285-A289 PolarHBondContact O-N 3.4Å; I286-A289 PolarHBondContact O-N 3.14Å; Y287-A289 PolarHBondContact O-N 3.42Å; A289-L292 PolarHBondContact O-N 3.29Å; A289-M293 VanDerWaalsContact O-CG 3.28Å; A289-M293 WeakPolarHBondContact O-CG 3.34Å; A289-M293 PolarHBondContact O-N 3.07Å; A289-M293 VanDerWaalsContact O-N 3.07Å
290F93.5Very high92.4Very high1 Ų136.3 Ų36.30%0.00417%0.173CC..Hα-helixtrans-68.1-37.1179.4-90.3-88.6000112.8L234 L236 I279 I286 Y287 I288 L292 M293 S294 L320 I379L234-F290 HydrophobicContact CD1-CE2 3.84Å; L234-F290 HydrophobicContact CD1-CZ 4.32Å; L236-F290 HydrophobicContact CD2-CE1 3.93Å; L236-F290 HydrophobicContact CD2-CZ 4.15Å; I279-F290 HydrophobicContact CD1-CD2 4.14Å; I279-F290 HydrophobicContact CD1-CE2 3.65Å; I279-F290 HydrophobicContact CD1-CZ 4.05Å; I286-F290 HydrophobicContact CG2-CD2 3.73Å; I286-F290 HydrophobicContact CG2-CE2 3.9Å; I286-F290 WeakPolarHBondContact O-CD2 3.26Å; I286-F290 PolarHBondContact O-N 2.86Å; Y287-F290 PolarHBondContact O-N 2.86Å; I288-F290 PolarHBondContact O-N 3.23Å; F290-L292 VanDerWaalsContact C-N 3.34Å; F290-L292 PolarHBondContact O-N 3.22Å; F290-M293 PolarHBondContact O-N 3.36Å; F290-S294 VanDerWaalsContact O-CB 3.31Å; F290-S294 WeakPolarHBondContact O-CB 3.47Å; F290-S294 PolarHBondContact O-N 3Å; F290-S294 PolarHBondContact O-OG 3.12Å; F290-S294 VanDerWaalsContact O-OG 3.05Å; F290-L320 HydrophobicContact CD1-CD1 4.01Å; F290-L320 HydrophobicContact CE1-CD1 4.03Å; F290-I379 HydrophobicContact CB-CG1 4.44Å; F290-I379 HydrophobicContact CB-CG2 4.41Å; F290-I379 HydrophobicContact CD1-CD1 4.09Å; F290-I379 HydrophobicContact CD1-CG1 3.77Å; F290-I379 HydrophobicContact CD2-CG1 4.45Å; F290-I379 HydrophobicContact CD2-CG2 3.76Å; F290-I379 HydrophobicContact CE1-CD1 3.82Å; F290-I379 HydrophobicContact CE1-CG1 4.05Å; F290-I379 HydrophobicContact CE2-CG2 4.09Å; F290-I379 HydrophobicContact CG-CB 4.4Å; F290-I379 HydrophobicContact CG-CG1 3.98Å; F290-I379 HydrophobicContact CG-CG2 4Å; F290-I379 HydrophobicContact CZ-CD1 4.05Å
291T94.1Very high91.7Very high17 Ų1739.4 Ų39.410%0.10418%0.184CC..Hα-helixtrans-63.7-37.9175.1-61.80000112.5Y287 I288 S294 R295 S376Y287-T291 PolarHBondContact O-N 3.35Å; Y287-T291 PolarHBondContact O-OG1 3.21Å; I288-T291 PolarHBondContact O-N 2.99Å; T291-S294 PolarHBondContact O-OG 3.49Å; T291-R295 WeakPolarHBondContact O-CB 3.47Å; T291-R295 VanDerWaalsContact O-CG 3.3Å; T291-R295 WeakPolarHBondContact O-CG 3.24Å; T291-R295 PolarHBondContact O-N 3.19Å; T291-S376 WeakPolarHBondContact CA-OG 3.37Å; T291-S376 VanDerWaalsContact OG1-CB 3.26Å; T291-S376 WeakPolarHBondContact OG1-CB 3.32Å; T291-S376 PolarHBondContact OG1-OG 2.86Å
292L93.2Very high91Very high22 Ų2241.7 Ų41.712%0.11520%0.198CC..Hα-helixtrans-69.5-41.9175.6-65169.5000111.9Y257 E260 I288 A289 F290 K296Y257-L292 HydrophobicContact CD1-CB 3.66Å; Y257-L292 HydrophobicContact CD1-CD1 4.21Å; Y257-L292 HydrophobicContact CE1-CB 3.88Å; E260-L292 HydrophobicContact CB-CD1 3.8Å; E260-L292 HydrophobicContact CG-CD1 3.75Å; E260-L292 WeakPolarHBondContact OE2-CD1 3.48Å; E260-L292 WeakPolarHBondContact OE2-CD2 3.42Å; I288-L292 HydrophobicContact CG2-CD1 4.07Å; I288-L292 WeakPolarHBondContact O-CG 3.41Å; I288-L292 PolarHBondContact O-N 3.21Å; I288-L292 VanDerWaalsContact O-N 3.1Å; A289-L292 PolarHBondContact O-N 3.29Å; F290-L292 VanDerWaalsContact C-N 3.34Å; F290-L292 PolarHBondContact O-N 3.22Å; L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 WeakPolarHBondContact O-CG 3.37Å; L292-K296 PolarHBondContact O-N 2.84Å
293M93.3Very high90.2Very high2 Ų244.3 Ų44.31%0.0121%0.208CC..Hα-helixtrans-67.2-42.5177.4-67.8-177.1-167.200112.4I246 Y257 I265 I279 A289 F290 K296 F297I246-M293 HydrophobicContact CD1-CB 3.85Å; I246-M293 HydrophobicContact CD1-CG 3.93Å; I246-M293 HydrophobicContact CG2-CE 4.47Å; I246-M293 HydrophobicContact CG2-SD 4.38Å; Y257-M293 HydrophobicContact CD2-CE 4.15Å; Y257-M293 HydrophobicContact CD2-CG 4.08Å; Y257-M293 HydrophobicContact CE2-CG 4.13Å; I265-M293 HydrophobicContact CD1-CE 3.62Å; I265-M293 HydrophobicContact CG1-CE 4.16Å; I265-M293 HydrophobicContact CG2-CE 4.14Å; I279-M293 HydrophobicContact CD1-CE 3.72Å; I279-M293 HydrophobicContact CD1-SD 3.92Å; I279-M293 HydrophobicContact CG1-CE 4.42Å; A289-M293 VanDerWaalsContact O-CG 3.28Å; A289-M293 WeakPolarHBondContact O-CG 3.34Å; A289-M293 PolarHBondContact O-N 3.07Å; A289-M293 VanDerWaalsContact O-N 3.07Å; F290-M293 PolarHBondContact O-N 3.36Å; M293-K296 PolarHBondContact O-N 3.31Å; M293-F297 WeakPolarHBondContact O-CD2 3.46Å; M293-F297 PolarHBondContact O-N 3.05Å
294S91.5Very high89.2Confident0 Ų045.4 Ų45.40%022%0.222CC..Hα-helixtrans-68.9-43.6-176.965.30000112.2F290 T291 K296 F297 E298 A372F290-S294 VanDerWaalsContact O-CB 3.31Å; F290-S294 WeakPolarHBondContact O-CB 3.47Å; F290-S294 PolarHBondContact O-N 3Å; F290-S294 PolarHBondContact O-OG 3.12Å; F290-S294 VanDerWaalsContact O-OG 3.05Å; T291-S294 PolarHBondContact O-OG 3.49Å; S294-K296 VanDerWaalsContact C-N 3.26Å; S294-K296 PolarHBondContact O-N 3.41Å; S294-F297 PolarHBondContact O-N 3.1Å; S294-F297 VanDerWaalsContact O-N 3.14Å; S294-E298 PolarHBondContact O-N 3.49Å; S294-E298 VanDerWaalsContact O-N 3.13Å; S294-A372 WeakPolarHBondContact OG-CA 3.48Å; S294-A372 VanDerWaalsContact OG-CB 3.32Å; S294-A372 WeakPolarHBondContact OG-CB 3.2Å; S294-A372 PolarHBondContact OG-O 3.42Å
295R91Very high88Confident127 Ų12742.9 Ų42.948%0.47921%0.211SC..Hα-helixtrans-57.9-38.7170.8-73.4177.1178.5174.71.5112.1T291 F297 E298 D299 A372T291-R295 WeakPolarHBondContact O-CB 3.47Å; T291-R295 VanDerWaalsContact O-CG 3.3Å; T291-R295 WeakPolarHBondContact O-CG 3.24Å; T291-R295 PolarHBondContact O-N 3.19Å; R295-F297 VanDerWaalsContact C-N 3.35Å; R295-F297 PolarHBondContact O-N 2.84Å; R295-E298 PolarHBondContact O-N 2.95Å; R295-D299 VanDerWaalsContact O-CG 3.26Å; R295-D299 PolarHBondContact O-N 2.67Å; R295-A372 HydrophobicContact CG-CB 3.97Å
296K90.4Very high86.6Confident55 Ų5544.7 Ų44.724%0.23922%0.222CC..Hα-helixtrans-70.8-26.6177.7-82.9-99.3165.4-89.80114Y257 L292 M293 S294 D299 D300Y257-K296 HydrophobicContact CE1-CG 4.32Å; Y257-K296 VanDerWaalsContact OH-CB 3.26Å; Y257-K296 WeakPolarHBondContact OH-CB 3.24Å; Y257-K296 WeakPolarHBondContact OH-CD 3.45Å; Y257-K296 WeakPolarHBondContact OH-CG 3.45Å; L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 WeakPolarHBondContact O-CG 3.37Å; L292-K296 PolarHBondContact O-N 2.84Å; M293-K296 PolarHBondContact O-N 3.31Å; S294-K296 VanDerWaalsContact C-N 3.26Å; S294-K296 PolarHBondContact O-N 3.41Å; K296-D299 IonicContact NZ-OD2 2.72Å; K296-D299 PolarHBondContact NZ-OD2 2.98Å; K296-D300 VanDerWaalsContact O-CB 3.29Å; K296-D300 WeakPolarHBondContact O-CB 3.49Å; K296-D300 VanDerWaalsContact O-CG 3.3Å; K296-D300 PolarHBondContact O-N 3.3Å
297F89.7Confident85.2Confident24 Ų2454.7 Ų54.711%0.10526%0.26CS..Hα-helixtrans-70.9-36.3167.1-73.8-60.3000112.7M238 E242 I246 M293 S294 R295 F301 V318 L320M238-F297 HydrophobicContact CE-CE2 3.48Å; M238-F297 VanDerWaalsContact CE-CE2 3.48Å; M238-F297 HydrophobicContact CE-CZ 3.41Å; M238-F297 VanDerWaalsContact CE-CZ 3.41Å; M238-F297 HydrophobicContact SD-CZ 4.17Å; E242-F297 HydrophobicContact CB-CE1 3.81Å; E242-F297 HydrophobicContact CB-CZ 4.12Å; E242-F297 HydrophobicContact CG-CE1 4.06Å; I246-F297 HydrophobicContact CD1-CD2 4.26Å; I246-F297 HydrophobicContact CD1-CE1 4.23Å; I246-F297 HydrophobicContact CD1-CE2 3.63Å; I246-F297 HydrophobicContact CD1-CZ 3.61Å; I246-F297 HydrophobicContact CG1-CE1 4.04Å; I246-F297 HydrophobicContact CG1-CE2 3.85Å; I246-F297 HydrophobicContact CG1-CZ 3.36Å; M293-F297 WeakPolarHBondContact O-CD2 3.46Å; M293-F297 PolarHBondContact O-N 3.05Å; S294-F297 PolarHBondContact O-N 3.1Å; S294-F297 VanDerWaalsContact O-N 3.14Å; R295-F297 VanDerWaalsContact C-N 3.35Å; R295-F297 PolarHBondContact O-N 2.84Å; F297-F301 VanDerWaalsContact O-CB 3.3Å; F297-F301 WeakPolarHBondContact O-CB 3.44Å; F297-F301 PolarHBondContact O-N 3.26Å; F297-V318 HydrophobicContact CB-CB 4.32Å; F297-V318 HydrophobicContact CB-CG1 3.6Å; F297-V318 HydrophobicContact CB-CG2 3.69Å; F297-V318 HydrophobicContact CD2-CG1 3.94Å; F297-V318 HydrophobicContact CG-CG1 3.97Å; F297-L320 HydrophobicContact CD2-CD2 4.03Å; F297-L320 HydrophobicContact CE2-CD2 3.71Å
298E86.8Confident83.7Confident47 Ų4758.7 Ų58.722%0.2228%0.283CS..Hα-helixtrans-67-43.3171.5-66.5-178.615900111.4S294 R295 D300 F301 T302 V318 T371 A372S294-E298 PolarHBondContact O-N 3.49Å; S294-E298 VanDerWaalsContact O-N 3.13Å; R295-E298 PolarHBondContact O-N 2.95Å; E298-D300 PolarHBondContact O-N 3.46Å; E298-F301 PolarHBondContact O-N 2.85Å; E298-T302 WeakPolarHBondContact O-CB 3.36Å; E298-T302 VanDerWaalsContact O-CG2 3.31Å; E298-T302 WeakPolarHBondContact O-CG2 3.12Å; E298-T302 PolarHBondContact O-N 3.34Å; E298-T302 PolarHBondContact O-OG1 2.96Å; E298-V318 HydrophobicContact CG-CG2 3.66Å; E298-T371 WeakPolarHBondContact OE1-CA 3.26Å; E298-A372 VanDerWaalsContact CD-CB 3.45Å; E298-A372 HydrophobicContact CG-CB 4.33Å; E298-A372 PolarHBondContact OE1-N 3.44Å; E298-A372 WeakPolarHBondContact OE2-CB 3.46Å
299D86.7Confident81.9Confident63 Ų6358.9 Ų58.934%0.33730%0.3SS..Hα-helixtrans-59.8-44.6174.7-69.6-27.6000112.1R295 K296 T302 Q303R295-D299 VanDerWaalsContact O-CG 3.26Å; R295-D299 PolarHBondContact O-N 2.67Å; K296-D299 IonicContact NZ-OD2 2.72Å; K296-D299 PolarHBondContact NZ-OD2 2.98Å; D299-T302 WeakPolarHBondContact CA-OG1 3.36Å; D299-T302 PolarHBondContact O-OG1 3.16Å; D299-T302 VanDerWaalsContact O-OG1 3.05Å; D299-Q303 VanDerWaalsContact O-CB 3.27Å; D299-Q303 WeakPolarHBondContact O-CB 3.26Å; D299-Q303 WeakPolarHBondContact O-CG 3.39Å; D299-Q303 PolarHBondContact O-N 2.88Å; D299-Q303 PolarHBondContact O-NE2 2.76Å
300D84.6Confident80.3Confident46 Ų4662.5 Ų62.525%0.24632%0.319CS..Hα-helixtrans-76.1-32.2-177.4-76.7-5.9000111.6S245 K296 E298 Q303 G304S245-D300 WeakPolarHBondContact CB-OD2 3.46Å; S245-D300 PolarHBondContact OG-OD2 2.78Å; K296-D300 VanDerWaalsContact O-CB 3.29Å; K296-D300 WeakPolarHBondContact O-CB 3.49Å; K296-D300 VanDerWaalsContact O-CG 3.3Å; K296-D300 PolarHBondContact O-N 3.3Å; E298-D300 PolarHBondContact O-N 3.46Å; D300-Q303 PolarHBondContact OD1-NE2 2.79Å; D300-G304 PolarHBondContact O-N 3.4Å
301F80Confident78.7Confident94 Ų9469.7 Ų69.741%0.41235%0.353SS..Hα-helixtrans-66.9-48.8170.3-168.4-79.8000111.1F297 E298 Q303 G304 L305 P316F297-F301 VanDerWaalsContact O-CB 3.3Å; F297-F301 WeakPolarHBondContact O-CB 3.44Å; F297-F301 PolarHBondContact O-N 3.26Å; E298-F301 PolarHBondContact O-N 2.85Å; F301-Q303 PolarHBondContact O-N 2.84Å; F301-G304 CarbonylContact O-C 3.57Å; F301-G304 WeakPolarHBondContact O-CA 3.5Å; F301-G304 PolarHBondContact O-N 2.95Å; F301-L305 HydrophobicContact CD1-CB 4.43Å; F301-L305 HydrophobicContact CE1-CB 4.14Å; F301-L305 HydrophobicContact CE1-CD1 4.12Å; F301-L305 HydrophobicContact CE1-CD2 4.09Å; F301-L305 HydrophobicContact CE1-CG 4.37Å; F301-L305 WeakPolarHBondContact O-CB 3.37Å; F301-L305 PolarHBondContact O-N 3.42Å; F301-P316 HydrophobicContact CD1-CG 3.81Å; F301-P316 HydrophobicContact CD2-CG 3.81Å; F301-P316 HydrophobicContact CE1-CG 3.47Å; F301-P316 VanDerWaalsContact CE1-CG 3.47Å; F301-P316 HydrophobicContact CE2-CG 3.46Å; F301-P316 VanDerWaalsContact CE2-CG 3.46Å; F301-P316 HydrophobicContact CG-CG 3.99Å; F301-P316 HydrophobicContact CZ-CG 3.3Å
302T78.2Confident77Confident51 Ų5174.6 Ų74.631%0.31338%0.383SS..Hα-helixtrans-63.3-41.8178.850.20000111.6E298 D299 G304 L305 L306E298-T302 WeakPolarHBondContact O-CB 3.36Å; E298-T302 VanDerWaalsContact O-CG2 3.31Å; E298-T302 WeakPolarHBondContact O-CG2 3.12Å; E298-T302 PolarHBondContact O-N 3.34Å; E298-T302 PolarHBondContact O-OG1 2.96Å; D299-T302 WeakPolarHBondContact CA-OG1 3.36Å; D299-T302 PolarHBondContact O-OG1 3.16Å; D299-T302 VanDerWaalsContact O-OG1 3.05Å; T302-G304 VanDerWaalsContact C-N 3.26Å; T302-G304 PolarHBondContact O-N 2.94Å; T302-L305 WeakPolarHBondContact O-CB 3.33Å; T302-L305 PolarHBondContact O-N 3Å; T302-L306 WeakPolarHBondContact O-CB 3.18Å; T302-L306 VanDerWaalsContact O-CG 3.26Å; T302-L306 WeakPolarHBondContact O-CG 3.4Å; T302-L306 PolarHBondContact O-N 3.18Å
303Q79Confident75.1Confident87 Ų8775.3 Ų75.341%0.40739%0.392SS..Hα-helixtrans-61-32.9170.5-77.1169.882.700113.3D299 D300 F301 R307D299-Q303 VanDerWaalsContact O-CB 3.27Å; D299-Q303 WeakPolarHBondContact O-CB 3.26Å; D299-Q303 WeakPolarHBondContact O-CG 3.39Å; D299-Q303 PolarHBondContact O-N 2.88Å; D299-Q303 PolarHBondContact O-NE2 2.76Å; D300-Q303 PolarHBondContact OD1-NE2 2.79Å; F301-Q303 PolarHBondContact O-N 2.84Å; Q303-R307 WeakPolarHBondContact O-CG 3.44Å
304G72.1Confident73.6Confident38 Ų3882.7 Ų82.739%0.39243%0.431SS..Hα-helixtrans-67.2-39171.200000112.6D300 F301 T302 R307D300-G304 PolarHBondContact O-N 3.4Å; F301-G304 CarbonylContact O-C 3.57Å; F301-G304 WeakPolarHBondContact O-CA 3.5Å; F301-G304 PolarHBondContact O-N 2.95Å; T302-G304 VanDerWaalsContact C-N 3.26Å; T302-G304 PolarHBondContact O-N 2.94Å; G304-R307 PolarHBondContact O-N 3.21Å
305L67.6Low72.4Confident36 Ų3686 Ų8619%0.18845%0.454CS..Hα-helixtrans-74.6-41-178.6-165.966.6000112.9F301 T302 R307 M308 G309 A313F301-L305 HydrophobicContact CD1-CB 4.43Å; F301-L305 HydrophobicContact CE1-CB 4.14Å; F301-L305 HydrophobicContact CE1-CD1 4.12Å; F301-L305 HydrophobicContact CE1-CD2 4.09Å; F301-L305 HydrophobicContact CE1-CG 4.37Å; F301-L305 WeakPolarHBondContact O-CB 3.37Å; F301-L305 PolarHBondContact O-N 3.42Å; T302-L305 WeakPolarHBondContact O-CB 3.33Å; T302-L305 PolarHBondContact O-N 3Å; L305-R307 PolarHBondContact O-N 3.21Å; L305-M308 CarbonylContact O-C 3.25Å; L305-M308 WeakPolarHBondContact O-CA 3.16Å; L305-M308 WeakPolarHBondContact O-CB 3.32Å; L305-M308 PolarHBondContact O-N 2.79Å; L305-G309 PolarHBondContact O-N 3.35Å; L305-A313 HydrophobicContact CD1-CB 3.92Å; L305-A313 HydrophobicContact CD2-CB 3.8Å; L305-A313 WeakPolarHBondContact CD2-O 3.3Å; L305-A313 HydrophobicContact CG-CB 4.24Å
306L66.4Low71.6Confident99 Ų9982.6 Ų82.652%0.51845%0.448SS..Hα-helixtrans-59.4-29.8173.2-69.5172.8000111.8T302 M308 G309 E311T302-L306 WeakPolarHBondContact O-CB 3.18Å; T302-L306 VanDerWaalsContact O-CG 3.26Å; T302-L306 WeakPolarHBondContact O-CG 3.4Å; T302-L306 PolarHBondContact O-N 3.18Å; L306-M308 VanDerWaalsContact C-N 3.26Å; L306-M308 PolarHBondContact O-N 3.41Å; L306-G309 PolarHBondContact O-N 3.08Å; L306-E311 WeakPolarHBondContact CD2-OE1 3.43Å
307R66.2Low71.3Confident209 Ų20983.7 Ų83.779%0.78946%0.461SS*.THydrogen-bonded Turntrans-74.9-13.7172.5-69.6172.8-175.9-173.85.4114Q303 G304 L305Q303-R307 WeakPolarHBondContact O-CG 3.44Å; G304-R307 PolarHBondContact O-N 3.21Å; L305-R307 PolarHBondContact O-N 3.21Å
308M62.6Low71.2Confident156 Ų15683.2 Ų83.277%0.76846%0.46SS*.THydrogen-bonded Turntrans-99.2-4.2175.8-64.2-61.2-60.900112.8L305 L306 D310L305-M308 CarbonylContact O-C 3.25Å; L305-M308 WeakPolarHBondContact O-CA 3.16Å; L305-M308 WeakPolarHBondContact O-CB 3.32Å; L305-M308 PolarHBondContact O-N 2.79Å; L306-M308 VanDerWaalsContact C-N 3.26Å; L306-M308 PolarHBondContact O-N 3.41Å; M308-D310 PolarHBondContact O-N 3.16Å
309G58.3Low71.5Confident63 Ų6384.8 Ų84.865%0.64947%0.473SS*.THydrogen-bonded Turntrans74.820.5166.500000116.2L305 L306L305-G309 PolarHBondContact O-N 3.35Å; L306-G309 PolarHBondContact O-N 3.08Å
310D61.8Low71.8Confident75 Ų7582 Ų8240%0.40146%0.458SS..  trans-115.691.4175.9-171.6-1.9000111.4M308 T312M308-D310 PolarHBondContact O-N 3.16Å; D310-T312 PolarHBondContact O-N 3.28Å; D310-T312 WeakPolarHBondContact OD1-CB 3.48Å; D310-T312 PolarHBondContact OD1-N 3.28Å; D310-T312 PolarHBondContact OD1-OG1 2.95Å
311E59.7Low72.3Confident152 Ų15283.6 Ų83.671%0.7146%0.461SS*.THydrogen-bonded Turntrans-66.7-6.4176.1-60.2-64.1136.600113.5L306L306-E311 WeakPolarHBondContact CD2-OE1 3.43Å
312T57.4Low73Confident120 Ų12079.2 Ų79.274%0.73644%0.442SS*.THydrogen-bonded Turntrans-100-4.7-176.370.50000114D310 N314D310-T312 PolarHBondContact O-N 3.28Å; D310-T312 WeakPolarHBondContact OD1-CB 3.48Å; D310-T312 PolarHBondContact OD1-N 3.28Å; D310-T312 PolarHBondContact OD1-OG1 2.95Å; T312-N314 PolarHBondContact O-N 2.8Å
313A54.5Low73.8Confident38 Ų3877.2 Ų77.231%0.31443%0.429SS..PPolyproline II helixtrans-79.7116-177.800000112.3L305 C315L305-A313 HydrophobicContact CD1-CB 3.92Å; L305-A313 HydrophobicContact CD2-CB 3.8Å; L305-A313 WeakPolarHBondContact CD2-O 3.3Å; L305-A313 HydrophobicContact CG-CB 4.24Å; A313-C315 PolarHBondContact O-N 2.81Å
314N60.8Low74.5Confident156 Ų15673.1 Ų73.183%0.83441%0.41SS*.PPolyproline II helixtrans-51.4130.4169.9-73.7-34.9000110.6T312 P316T312-N314 PolarHBondContact O-N 2.8Å; N314-P316 WeakPolarHBondContact O-CD 3.4Å
315C67Low75.5Confident70 Ų7072 Ų7247%0.47340%0.396SS..PPolyproline II helixtrans-58.3120.2173.353.90000109.8A313A313-C315 PolarHBondContact O-N 2.81Å
316P73.4Confident76.6Confident55 Ų5573.2 Ų73.236%0.35740%0.404SS..PPolyproline II helixtrans-68.3152178.529.6-33.5000109.9F301 N314 V318F301-P316 HydrophobicContact CD1-CG 3.81Å; F301-P316 HydrophobicContact CD2-CG 3.81Å; F301-P316 HydrophobicContact CE1-CG 3.47Å; F301-P316 VanDerWaalsContact CE1-CG 3.47Å; F301-P316 HydrophobicContact CE2-CG 3.46Å; F301-P316 VanDerWaalsContact CE2-CG 3.46Å; F301-P316 HydrophobicContact CG-CG 3.99Å; F301-P316 HydrophobicContact CZ-CG 3.3Å; N314-P316 WeakPolarHBondContact O-CD 3.4Å; P316-V318 PolarHBondContact O-N 3.35Å
317P83.6Confident77.7Confident79 Ų7971.4 Ų71.451%0.51340%0.403SS..PPolyproline II helixtrans-61.1130.7-179.325.6-34.3000110.7G370P317-G370 CarbonylContact C-O 3.55Å; P317-G370 WeakPolarHBondContact CA-O 3.26Å
318V89.1Confident78.9Confident14 Ų1462.7 Ų62.79%0.08537%0.372CS..EExtended strand (participates in β ladder)trans-62139170.7174.80000108.3F297 E298 P316 L320 S369 G370 I375F297-V318 HydrophobicContact CB-CB 4.32Å; F297-V318 HydrophobicContact CB-CG1 3.6Å; F297-V318 HydrophobicContact CB-CG2 3.69Å; F297-V318 HydrophobicContact CD2-CG1 3.94Å; F297-V318 HydrophobicContact CG-CG1 3.97Å; E298-V318 HydrophobicContact CG-CG2 3.66Å; P316-V318 PolarHBondContact O-N 3.35Å; V318-L320 HydrophobicContact CG1-CD2 4.22Å; V318-L320 HydrophobicContact CG1-CG 4.33Å; V318-S369 WeakPolarHBondContact O-CA 3.34Å; V318-G370 PolarHBondContact N-O 3.05Å; V318-G370 PolarHBondContact O-N 3.08Å; V318-G370 VanDerWaalsContact O-N 3.16Å; V318-I375 HydrophobicContact CB-CD1 3.73Å; V318-I375 HydrophobicContact CG1-CD1 3.93Å
319T92.1Very high80.3Confident79 Ų7955.5 Ų55.549%0.48534%0.337SS..EExtended strand (participates in β ladder)trans-120.5125.9179.672.90000110.9I368T319-I368 WeakPolarHBondContact CA-O 3.15Å
320L93.1Very high81.9Confident5 Ų554.8 Ų54.83%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-123.3135.3-178.6-62.9-173.7000110.1L236 M238 F290 F297 V318 T367 I368 I375L236-L320 HydrophobicContact CD1-CB 4.05Å; M238-L320 HydrophobicContact CE-CD2 3.59Å; F290-L320 HydrophobicContact CD1-CD1 4.01Å; F290-L320 HydrophobicContact CE1-CD1 4.03Å; F297-L320 HydrophobicContact CD2-CD2 4.03Å; F297-L320 HydrophobicContact CE2-CD2 3.71Å; V318-L320 HydrophobicContact CG1-CD2 4.22Å; V318-L320 HydrophobicContact CG1-CG 4.33Å; L320-T367 CarbonylContact O-C 3.55Å; L320-T367 VanDerWaalsContact O-CA 3.3Å; L320-T367 WeakPolarHBondContact O-CA 3.43Å; L320-I368 PolarHBondContact N-O 3.11Å; L320-I368 PolarHBondContact O-N 3.16Å; L320-I375 HydrophobicContact CD1-CG2 3.61Å
321R94.5Very high83.3Confident80 Ų8053 Ų5330%0.30232%0.323SS..EExtended strand (participates in β ladder)trans-109.289.9180-63.9170.769.6-155.52.1111.2L237 E274 T367L237-R321 HydrophobicContact CB-CB 4.3Å; L237-R321 PolarHBondContact N-O 3.07Å; E274-R321 IonicContact OE1-CZ 3.51Å; E274-R321 IonicContact OE1-NH1 3.38Å; E274-R321 PolarHBondContact OE1-NH1 3.21Å; R321-T367 HydrophobicContact CG-CG2 4.3Å
322L95.5Very high84.9Confident2 Ų245.9 Ų45.91%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-68.8137.3175.8-173.371.7000110.5L234 R235 V324 T365 V366 L382 F386L234-L322 HydrophobicContact CB-CD1 4.11Å; L234-L322 HydrophobicContact CD1-CD1 4.45Å; L234-L322 HydrophobicContact CD2-CD1 4.34Å; R235-L322 WeakPolarHBondContact O-CD1 3.46Å; L322-V324 HydrophobicContact CD2-CG2 3.74Å; L322-V324 HydrophobicContact CG-CG2 3.91Å; L322-T365 CarbonylContact O-C 3.11Å; L322-T365 WeakPolarHBondContact O-CA 3.46Å; L322-V366 HydrophobicContact CB-CB 4.41Å; L322-V366 PolarHBondContact N-O 2.89Å; L322-V366 PolarHBondContact O-N 3.49Å; L322-L382 HydrophobicContact CD2-CD1 4.47Å; L322-F386 HydrophobicContact CD2-CE2 4.08Å; L322-F386 HydrophobicContact CD2-CZ 4.07Å
323L94.6Very high86.7Confident8 Ų842.9 Ų42.94%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-92.9123.7171.1-62.8178.5000109.2R235 L237 I276 L358 T365R235-L323 HydrophobicContact CB-CB 4.02Å; R235-L323 HydrophobicContact CB-CD1 4.16Å; R235-L323 WeakPolarHBondContact O-CB 3.34Å; R235-L323 PolarHBondContact O-N 3.25Å; L237-L323 HydrophobicContact CB-CD1 4.32Å; L237-L323 HydrophobicContact CB-CD2 3.95Å; L237-L323 HydrophobicContact CB-CG 4.03Å; L237-L323 HydrophobicContact CD2-CD2 4.28Å; I276-L323 HydrophobicContact CD1-CD1 3.87Å; I276-L323 HydrophobicContact CG1-CD1 4.21Å; I276-L323 HydrophobicContact CG2-CD1 4.07Å; L323-L358 HydrophobicContact CD2-CD1 3.4Å; L323-T365 HydrophobicContact CD2-CG2 3.79Å
324V93.3Very high88.5Confident1 Ų142 Ų421%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-130.1132.1-179.3-1760000109.7L322 V326 Q328 I332 E363 R364 V366 F386L322-V324 HydrophobicContact CD2-CG2 3.74Å; L322-V324 HydrophobicContact CG-CG2 3.91Å; V324-V326 PolarHBondContact O-N 3.08Å; V324-Q328 HydrophobicContact CG1-CB 3.95Å; V324-I332 HydrophobicContact CB-CD1 4.46Å; V324-I332 HydrophobicContact CG1-CD1 3.88Å; V324-I332 HydrophobicContact CG2-CD1 4.06Å; V324-E363 CarbonylContact O-C 3.57Å; V324-E363 WeakPolarHBondContact O-CA 3.08Å; V324-R364 PolarHBondContact N-O 3.42Å; V324-R364 PolarHBondContact O-N 2.92Å; V324-V366 HydrophobicContact CB-CG2 4.21Å; V324-V366 HydrophobicContact CG2-CB 4.38Å; V324-V366 HydrophobicContact CG2-CG2 3.74Å; V324-F386 HydrophobicContact CG1-CE1 3.7Å; V324-F386 HydrophobicContact CG1-CZ 4.08Å; V324-F386 HydrophobicContact CG2-CE1 4.31Å; V324-F386 HydrophobicContact CG2-CZ 3.81Å
325P93.2Very high90.1Very high15 Ų1544.3 Ų44.310%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-57136.2172.1-24.234.6000111.6A327 Q328 C329 V395P325-A327 PolarHBondContact O-N 3.4Å; P325-Q328 PolarHBondContact O-N 2.61Å; P325-C329 PolarHBondContact O-N 3.16Å; P325-C329 PolarHBondContact O-SG 3.4Å; P325-V395 HydrophobicContact CB-CG1 4.16Å; P325-V395 HydrophobicContact CB-CG2 4Å; P325-V395 HydrophobicContact CG-CG1 3.81Å; P325-V395 HydrophobicContact CG-CG2 3.98Å
326V91Very high91.3Very high61 Ų6145.4 Ų45.437%0.3729%0.289SS..Hα-helixtrans-52.5-34.1-178.5168.30000112.5V324 Q328 C329 A357 T362 R364V324-V326 PolarHBondContact O-N 3.08Å; V326-Q328 VanDerWaalsContact C-N 3.32Å; V326-Q328 PolarHBondContact O-N 2.98Å; V326-C329 PolarHBondContact O-N 3.48Å; V326-A357 HydrophobicContact CG2-CB 4.02Å; V326-T362 WeakPolarHBondContact CG2-O 3.39Å; V326-T362 PolarHBondContact N-O 2.77Å; V326-R364 HydrophobicContact CG2-CB 4.03Å
327A90.5Very high92.3Very high61 Ų6143.8 Ų43.850%0.50428%0.282SS..Hα-helixtrans-62.3-31.217600000114.3P325P325-A327 PolarHBondContact O-N 3.4Å
328Q91.1Very high92.9Very high26 Ų2643 Ų4312%0.12128%0.279CS..Hα-helixtrans-90.6-23.3178.1-73.1-176.2-51.800113.1V324 P325 V326 G330 S331 I332 F386 C389 N391V324-Q328 HydrophobicContact CG1-CB 3.95Å; P325-Q328 PolarHBondContact O-N 2.61Å; V326-Q328 VanDerWaalsContact C-N 3.32Å; V326-Q328 PolarHBondContact O-N 2.98Å; Q328-G330 PolarHBondContact O-N 3.26Å; Q328-G330 VanDerWaalsContact O-N 3.14Å; Q328-S331 PolarHBondContact O-N 3Å; Q328-I332 PolarHBondContact O-N 3.2Å; Q328-F386 HydrophobicContact CB-CD1 4.44Å; Q328-F386 HydrophobicContact CB-CE1 4.38Å; Q328-C389 PolarHBondContact NE2-O 3.2Å; Q328-N391 HydrophobicContact CG-CB 4.08Å
329C91.5Very high93.1Very high5 Ų546.3 Ų46.33%0.03429%0.292CS..Hα-helixtrans-55.4-32.6177.4-66.90000113.1P325 V326 S331 I332 I333P325-C329 PolarHBondContact O-N 3.16Å; P325-C329 PolarHBondContact O-SG 3.4Å; V326-C329 PolarHBondContact O-N 3.48Å; C329-S331 VanDerWaalsContact C-N 3.3Å; C329-S331 PolarHBondContact O-N 3.35Å; C329-I332 PolarHBondContact O-N 3.27Å; C329-I333 WeakPolarHBondContact O-CG1 3.46Å; C329-I333 PolarHBondContact O-N 2.92Å; C329-I333 VanDerWaalsContact O-N 3.08Å
330G92Very high93.3Very high48 Ų4843 Ų4350%0.49527%0.271SS..Hα-helixtrans-61-35175.800000113.7Q328 G334Q328-G330 PolarHBondContact O-N 3.26Å; Q328-G330 VanDerWaalsContact O-N 3.14Å; G330-G334 PolarHBondContact O-N 3.14Å
331S91.8Very high93.4Very high38 Ų3848.5 Ų48.527%0.26630%0.295SS..Hα-helixtrans-75.3-35.6178.2-59.20000112.6Q328 C329 C389Q328-S331 PolarHBondContact O-N 3Å; C329-S331 VanDerWaalsContact C-N 3.3Å; C329-S331 PolarHBondContact O-N 3.35Å; S331-C389 WeakPolarHBondContact OG-CB 3.3Å; S331-C389 PolarHBondContact OG-SG 3.5Å
332I93.3Very high93.4Very high2 Ų247.6 Ų47.61%0.0130%0.296CS..Hα-helixtrans-61.4-47.4171.7-58.9174.7000110.3V324 Q328 C329 K339 I340 V366 L382 I385 F386V324-I332 HydrophobicContact CB-CD1 4.46Å; V324-I332 HydrophobicContact CG1-CD1 3.88Å; V324-I332 HydrophobicContact CG2-CD1 4.06Å; Q328-I332 PolarHBondContact O-N 3.2Å; C329-I332 PolarHBondContact O-N 3.27Å; I332-K339 CarbonylContact O-C 3.51Å; I332-K339 WeakPolarHBondContact O-CB 3.12Å; I332-I340 WeakPolarHBondContact O-CB 3.42Å; I332-I340 PolarHBondContact O-N 3.22Å; I332-I340 VanDerWaalsContact O-N 3.08Å; I332-V366 HydrophobicContact CD1-CG2 4.41Å; I332-L382 HydrophobicContact CD1-CD2 4.33Å; I332-L382 HydrophobicContact CG1-CD2 4.2Å; I332-L382 HydrophobicContact CG2-CD2 3.73Å; I332-I385 HydrophobicContact CG1-CG2 4.39Å; I332-F386 HydrophobicContact CD1-CE1 3.73Å; I332-F386 HydrophobicContact CD1-CZ 3.78Å; I332-F386 HydrophobicContact CG1-CE1 4.11Å; I332-F386 HydrophobicContact CG1-CZ 4.43Å
333I94.5Very high93.4Very high57 Ų5748 Ų4829%0.29230%0.298SS..Hα-helixtrans-68.5-45.8-178.4-63.5166.5000110.3C329 G337 S338 K339 I340 V353C329-I333 WeakPolarHBondContact O-CG1 3.46Å; C329-I333 PolarHBondContact O-N 2.92Å; C329-I333 VanDerWaalsContact O-N 3.08Å; I333-G337 CarbonylContact O-C 3.45Å; I333-G337 WeakPolarHBondContact O-CA 3.26Å; I333-S338 PolarHBondContact O-N 3.13Å; I333-K339 PolarHBondContact O-N 2.85Å; I333-I340 HydrophobicContact CB-CG2 4.44Å; I333-I340 HydrophobicContact CG2-CG2 4.23Å; I333-I340 PolarHBondContact O-N 3.35Å; I333-V353 HydrophobicContact CD1-CG1 4.27Å; I333-V353 HydrophobicContact CG1-CG2 4.41Å
334G92.8Very high93.5Very high20 Ų2052.4 Ų52.421%0.20631%0.314CS..  trans72.8171.4-173.400000113.2G330 G336 G337G330-G334 PolarHBondContact O-N 3.14Å; G334-G336 PolarHBondContact O-N 3.22Å; G334-G337 PolarHBondContact O-N 3.27Å; G334-G337 VanDerWaalsContact O-N 3.11Å
335K93.8Very high93.6Very high205 Ų20558.9 Ų58.989%0.89135%0.345SS*.G310 helixtrans-60.1123.2178.2-63.3175.5-175.8173.40109.3G337 S338K335-G337 PolarHBondContact O-N 3.24Å; K335-G337 VanDerWaalsContact O-N 3.16Å; K335-S338 PolarHBondContact O-N 3.47Å
336G93.6Very high93.7Very high93 Ų9364.3 Ų64.396%0.95937%0.372SS*.G310 helixtrans64.312.9-178.500000115.6G334G334-G336 PolarHBondContact O-N 3.22Å
337G93.7Very high93.9Very high20 Ų2061.8 Ų61.821%0.20636%0.357CS..G310 helixtrans81.511.3-175.400000115.1I333 G334 K335 I340 K341I333-G337 CarbonylContact O-C 3.45Å; I333-G337 WeakPolarHBondContact O-CA 3.26Å; G334-G337 PolarHBondContact O-N 3.27Å; G334-G337 VanDerWaalsContact O-N 3.11Å; K335-G337 PolarHBondContact O-N 3.24Å; K335-G337 VanDerWaalsContact O-N 3.16Å; G337-I340 VanDerWaalsContact O-CG2 3.28Å; G337-I340 WeakPolarHBondContact O-CG2 3.33Å; G337-K341 WeakPolarHBondContact O-CB 3.41Å; G337-K341 PolarHBondContact O-N 3Å
338S95.4Very high94Very high63 Ų6361.8 Ų61.844%0.44136%0.363SS..Hα-helixtrans-57.8-58.8-179.1-1650000111.7I333 K335 I340 K341 D342I333-S338 PolarHBondContact O-N 3.13Å; K335-S338 PolarHBondContact O-N 3.47Å; S338-I340 VanDerWaalsContact C-N 3.32Å; S338-I340 PolarHBondContact O-N 3.18Å; S338-K341 CarbonylContact O-C 3.56Å; S338-K341 WeakPolarHBondContact O-CA 3.39Å; S338-K341 VanDerWaalsContact O-CB 3.3Å; S338-K341 WeakPolarHBondContact O-CB 3.18Å; S338-K341 PolarHBondContact O-N 3.45Å; S338-D342 VanDerWaalsContact C-OD2 3.23Å; S338-D342 PolarHBondContact O-N 3.31Å; S338-D342 PolarHBondContact OG-OD2 3.28Å
339K94.9Very high94.2Very high84 Ų8460.7 Ų60.737%0.36536%0.358SS..Hα-helixtrans-56.5-42.7-174.7-73.1-85.4-170.6154.60112.2I332 I333 D342 V343 E388I332-K339 CarbonylContact O-C 3.51Å; I332-K339 WeakPolarHBondContact O-CB 3.12Å; I333-K339 PolarHBondContact O-N 2.85Å; K339-D342 PolarHBondContact O-N 3.15Å; K339-V343 VanDerWaalsContact O-CG2 3.26Å; K339-V343 WeakPolarHBondContact O-CG2 3.44Å; K339-V343 PolarHBondContact O-N 3.29Å; K339-E388 IonicContact NZ-OE1 3.92Å; K339-E388 IonicContact NZ-OE2 3.87Å; K339-E388 PolarHBondContact NZ-OE2 2.76Å
340I95Very high94.3Very high9 Ų963.1 Ų63.15%0.04638%0.375CS..Hα-helixtrans-70.6-31.7176.5-171168.7000112.7I332 I333 G337 S338 R344 I351 V353I332-I340 WeakPolarHBondContact O-CB 3.42Å; I332-I340 PolarHBondContact O-N 3.22Å; I332-I340 VanDerWaalsContact O-N 3.08Å; I333-I340 HydrophobicContact CB-CG2 4.44Å; I333-I340 HydrophobicContact CG2-CG2 4.23Å; I333-I340 PolarHBondContact O-N 3.35Å; G337-I340 VanDerWaalsContact O-CG2 3.28Å; G337-I340 WeakPolarHBondContact O-CG2 3.33Å; S338-I340 VanDerWaalsContact C-N 3.32Å; S338-I340 PolarHBondContact O-N 3.18Å; I340-R344 WeakPolarHBondContact O-CB 3.3Å; I340-R344 WeakPolarHBondContact O-CD 3.44Å; I340-R344 WeakPolarHBondContact O-CG 3.2Å; I340-R344 PolarHBondContact O-N 3.5Å; I340-R344 VanDerWaalsContact O-N 3.07Å; I340-I351 HydrophobicContact CD1-CB 4.41Å; I340-I351 HydrophobicContact CD1-CG2 3.96Å; I340-I351 HydrophobicContact CG1-CB 4.46Å; I340-I351 HydrophobicContact CG1-CG2 4.33Å; I340-V353 HydrophobicContact CD1-CG2 3.6Å
341K95.2Very high94.5Very high120 Ų12060.9 Ų60.952%0.52235%0.352SS..Hα-helixtrans-64.5-49.2171.7-170.7-161.1170.2-140.70110.1G337 S338 V343 R344 E345G337-K341 WeakPolarHBondContact O-CB 3.41Å; G337-K341 PolarHBondContact O-N 3Å; S338-K341 CarbonylContact O-C 3.56Å; S338-K341 WeakPolarHBondContact O-CA 3.39Å; S338-K341 VanDerWaalsContact O-CB 3.3Å; S338-K341 WeakPolarHBondContact O-CB 3.18Å; S338-K341 PolarHBondContact O-N 3.45Å; K341-V343 PolarHBondContact O-N 3Å; K341-R344 WeakPolarHBondContact O-CB 3.36Å; K341-R344 PolarHBondContact O-N 2.93Å; K341-R344 VanDerWaalsContact O-N 3.16Å; K341-E345 IonicContact NZ-OE2 2.78Å; K341-E345 WeakPolarHBondContact O-CB 3.49Å; K341-E345 PolarHBondContact O-N 3.2Å
342D95.3Very high94.6Very high62 Ų6264.6 Ų64.633%0.33237%0.365SS..Hα-helixtrans-59.2-45.4-179.7-50.7-30.2000110.5S338 K339 R344 E345 L346S338-D342 VanDerWaalsContact C-OD2 3.23Å; S338-D342 PolarHBondContact O-N 3.31Å; S338-D342 PolarHBondContact OG-OD2 3.28Å; K339-D342 PolarHBondContact O-N 3.15Å; D342-R344 PolarHBondContact O-N 3.4Å; D342-E345 PolarHBondContact O-N 3.17Å; D342-L346 WeakPolarHBondContact O-CB 3.4Å; D342-L346 VanDerWaalsContact O-CG 3.24Å; D342-L346 WeakPolarHBondContact O-CG 3.49Å; D342-L346 PolarHBondContact O-N 3.05Å
343V95.6Very high94.7Very high10 Ų1066.1 Ų66.16%0.06138%0.375CS..Hα-helixtrans-65.5-38.2176.6177.20000112.3K339 K341 T347 I351 L381 I385K339-V343 VanDerWaalsContact O-CG2 3.26Å; K339-V343 WeakPolarHBondContact O-CG2 3.44Å; K339-V343 PolarHBondContact O-N 3.29Å; K341-V343 PolarHBondContact O-N 3Å; V343-T347 HydrophobicContact CG1-CG2 4.24Å; V343-T347 WeakPolarHBondContact O-CB 3.36Å; V343-T347 WeakPolarHBondContact O-CG2 3.42Å; V343-T347 PolarHBondContact O-N 3.08Å; V343-T347 PolarHBondContact O-OG1 3.28Å; V343-I351 HydrophobicContact CB-CD1 4.3Å; V343-I351 HydrophobicContact CG1-CD1 3.61Å; V343-L381 HydrophobicContact CG1-CB 4.29Å; V343-L381 HydrophobicContact CG1-CD1 4.23Å; V343-L381 HydrophobicContact CG2-CB 4.4Å; V343-L381 HydrophobicContact CG2-CD1 4.49Å; V343-I385 HydrophobicContact CG2-CD1 3.89Å
344R95.7Very high94.7Very high100 Ų10065 Ų6538%0.37737%0.374SS..Hα-helixtrans-63.7-43173.6-72.7166.8-177.6154.5-2.4111.3I340 K341 D342 T347 G348 I351I340-R344 WeakPolarHBondContact O-CB 3.3Å; I340-R344 WeakPolarHBondContact O-CD 3.44Å; I340-R344 WeakPolarHBondContact O-CG 3.2Å; I340-R344 PolarHBondContact O-N 3.5Å; I340-R344 VanDerWaalsContact O-N 3.07Å; K341-R344 WeakPolarHBondContact O-CB 3.36Å; K341-R344 PolarHBondContact O-N 2.93Å; K341-R344 VanDerWaalsContact O-N 3.16Å; D342-R344 PolarHBondContact O-N 3.4Å; R344-T347 PolarHBondContact O-N 3.1Å; R344-G348 WeakPolarHBondContact O-CA 3.28Å; R344-G348 PolarHBondContact O-N 3.22Å; R344-I351 HydrophobicContact CG-CB 3.98Å; R344-I351 HydrophobicContact CG-CD1 3.96Å; R344-I351 HydrophobicContact CG-CG1 3.98Å; R344-I351 PolarHBondContact NE-O 2.9Å; R344-I351 PolarHBondContact NH2-O 3.45Å
345E95.5Very high94.6Very high138 Ų13869.2 Ų69.265%0.64540%0.4SS*.Hα-helixtrans-66.9-44.6-178.8-167165.2164.900111.7K341 D342 T347K341-E345 IonicContact NZ-OE2 2.78Å; K341-E345 WeakPolarHBondContact O-CB 3.49Å; K341-E345 PolarHBondContact O-N 3.2Å; D342-E345 PolarHBondContact O-N 3.17Å; E345-T347 VanDerWaalsContact C-N 3.33Å; E345-T347 PolarHBondContact O-N 3.15Å
346L95.8Very high94.5Very high129 Ų12964.3 Ų64.368%0.67538%0.38SS*.Hα-helixtrans-68.2-25.8178-70.5170.2000114.4D342 L381D342-L346 WeakPolarHBondContact O-CB 3.4Å; D342-L346 VanDerWaalsContact O-CG 3.24Å; D342-L346 WeakPolarHBondContact O-CG 3.49Å; D342-L346 PolarHBondContact O-N 3.05Å; L346-L381 HydrophobicContact CB-CD1 4.11Å; L346-L381 HydrophobicContact CD1-CD1 4.2Å
347T95.1Very high94.4Very high7 Ų762 Ų624%0.04335%0.352CS..Hα-helixtrans-106.2-22.9-172.361.60000113.6V343 R344 E345 A349 S374 K377 C378 L381V343-T347 HydrophobicContact CG1-CG2 4.24Å; V343-T347 WeakPolarHBondContact O-CB 3.36Å; V343-T347 WeakPolarHBondContact O-CG2 3.42Å; V343-T347 PolarHBondContact O-N 3.08Å; V343-T347 PolarHBondContact O-OG1 3.28Å; R344-T347 PolarHBondContact O-N 3.1Å; E345-T347 VanDerWaalsContact C-N 3.33Å; E345-T347 PolarHBondContact O-N 3.15Å; T347-A349 PolarHBondContact O-N 2.66Å; T347-A349 WeakPolarHBondContact OG1-CB 3.3Å; T347-A349 PolarHBondContact OG1-N 3.49Å; T347-A349 VanDerWaalsContact OG1-N 3.15Å; T347-S374 VanDerWaalsContact O-CB 3.24Å; T347-S374 WeakPolarHBondContact O-CB 3.42Å; T347-S374 PolarHBondContact O-OG 3.37Å; T347-K377 HydrophobicContact CG2-CB 4.3Å; T347-C378 HydrophobicContact CG2-CB 3.83Å; T347-L381 HydrophobicContact CG2-CD1 3.72Å
348G93.3Very high94.2Very high61 Ų6162.2 Ų62.263%0.62935%0.348SS*.  trans67.56.2-166.800000114R344R344-G348 WeakPolarHBondContact O-CA 3.28Å; R344-G348 PolarHBondContact O-N 3.22Å
349A94Very high93.9Very high3 Ų363.4 Ų63.43%0.02536%0.355CS..  trans-86.4139.3179.900000111.5T347 I351 I368 C378T347-A349 PolarHBondContact O-N 2.66Å; T347-A349 WeakPolarHBondContact OG1-CB 3.3Å; T347-A349 PolarHBondContact OG1-N 3.49Å; T347-A349 VanDerWaalsContact OG1-N 3.15Å; A349-I351 HydrophobicContact CB-CG1 4.5Å; A349-I351 PolarHBondContact O-N 3.4Å; A349-I368 HydrophobicContact CB-CG2 4.24Å; A349-C378 HydrophobicContact CB-CB 4.17Å
350S94.1Very high93.6Very high57 Ų5763.9 Ų63.940%0.39937%0.365SS..EExtended strand (participates in β ladder)trans-82.2107.2171.9179.70000109.5S369S350-S369 WeakPolarHBondContact CB-OG 3.1Å; S350-S369 PolarHBondContact N-O 2.99Å; S350-S369 PolarHBondContact O-N 2.77Å; S350-S369 PolarHBondContact O-OG 2.9Å
351I95.4Very high93.4Very high1 Ų164.1 Ų64.11%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-105.6124.4-178.6-51.7170.7000108.9I340 V343 R344 A349 V366 T367 I368 C378I340-I351 HydrophobicContact CD1-CB 4.41Å; I340-I351 HydrophobicContact CD1-CG2 3.96Å; I340-I351 HydrophobicContact CG1-CB 4.46Å; I340-I351 HydrophobicContact CG1-CG2 4.33Å; V343-I351 HydrophobicContact CB-CD1 4.3Å; V343-I351 HydrophobicContact CG1-CD1 3.61Å; R344-I351 HydrophobicContact CG-CB 3.98Å; R344-I351 HydrophobicContact CG-CD1 3.96Å; R344-I351 HydrophobicContact CG-CG1 3.98Å; R344-I351 PolarHBondContact NE-O 2.9Å; R344-I351 PolarHBondContact NH2-O 3.45Å; A349-I351 HydrophobicContact CB-CG1 4.5Å; A349-I351 PolarHBondContact O-N 3.4Å; I351-V366 HydrophobicContact CG2-CG1 3.72Å; I351-T367 CarbonylContact C-O 3.6Å; I351-T367 WeakPolarHBondContact CA-O 3.24Å; I351-I368 HydrophobicContact CG2-CG1 4.45Å; I351-C378 WeakPolarHBondContact CD1-SG 3.26Å
352Q94.7Very high93.2Very high115 Ų11560.6 Ų60.654%0.53736%0.356SS..EExtended strand (participates in β ladder)trans-123.5127.8179.1-58.3179.63.300109.8V366 T367Q352-V366 CarbonylContact O-C 3.59Å; Q352-V366 WeakPolarHBondContact O-CA 3.34Å; Q352-T367 PolarHBondContact N-O 3.45Å; Q352-T367 PolarHBondContact O-N 3.36Å
353V94.8Very high93.1Very high35 Ų3557.9 Ų57.921%0.21234%0.341CS..EExtended strand (participates in β ladder)trans-106.1123.3178179.70000107.9I333 I340 R364 V366I333-V353 HydrophobicContact CD1-CG1 4.27Å; I333-V353 HydrophobicContact CG1-CG2 4.41Å; I340-V353 HydrophobicContact CD1-CG2 3.6Å; V353-R364 HydrophobicContact CG1-CG 4.31Å; V353-V366 HydrophobicContact CG1-CG2 4.37Å; V353-V366 HydrophobicContact CG2-CG1 4.11Å; V353-V366 HydrophobicContact CG2-CG2 4.12Å
354A94.3Very high93Very high34 Ų3459.7 Ų59.728%0.28135%0.347SS..  trans-61.9146.9178.100000111.5R364 T365A354-R364 HydrophobicContact CB-CG 4.2Å; A354-R364 WeakPolarHBondContact O-CD 2.96Å; A354-R364 WeakPolarHBondContact O-CG 3.36Å; A354-R364 VanDerWaalsContact O-CZ 3.27Å; A354-R364 PolarHBondContact O-NE 2.94Å; A354-R364 PolarHBondContact O-NH1 3.35Å; A354-T365 WeakPolarHBondContact CB-O 3.29Å; A354-T365 WeakPolarHBondContact CB-OG1 3.3Å; A354-T365 PolarHBondContact N-O 2.87Å
355S91.3Very high93Very high107 Ų10755.5 Ų55.575%0.74833%0.332SS*.SBendtrans-74.5-25.3-179.1-60.30000113.8R364S355-R364 PolarHBondContact O-NH1 2.83Å; S355-R364 PolarHBondContact O-NH2 3.39Å
356E92Very high93Very high102 Ų10248.9 Ų48.948%0.47730%0.302SS..SBendtrans-114.4160.9-175.7-65-177.1-161.900111.6H534E356-H534 IonicContact OE2-CE1 3.63Å; E356-H534 IonicContact OE2-ND1 3.88Å
357A90.9Very high93Very high45 Ų4544.4 Ų44.437%0.37228%0.279SS..PPolyproline II helixtrans-79.1156.7167.500000110.1V326V326-A357 HydrophobicContact CG2-CB 4.02Å
358L90.5Very high93Very high24 Ų2444 Ų4413%0.12628%0.277CS..PPolyproline II helixtrans-65.5145.6172.6-71.2177.7000110.7L237 L323 T360 S361 E363 T365 Y398L237-L358 HydrophobicContact CD2-CD1 4.33Å; L323-L358 HydrophobicContact CD2-CD1 3.4Å; L358-T360 PolarHBondContact O-N 2.8Å; L358-S361 PolarHBondContact O-N 2.83Å; L358-S361 VanDerWaalsContact O-N 3.08Å; L358-E363 PolarHBondContact N-O 3.07Å; L358-T365 HydrophobicContact CD1-CG2 3.96Å; L358-T365 HydrophobicContact CD2-CG2 3.98Å; L358-T365 HydrophobicContact CG-CG2 4.15Å; L358-Y398 HydrophobicContact CB-CD2 3.73Å; L358-Y398 HydrophobicContact CB-CE2 4.08Å; L358-Y398 HydrophobicContact CB-CG 4.19Å; L358-Y398 HydrophobicContact CD1-CD1 3.67Å; L358-Y398 HydrophobicContact CD1-CD2 3.97Å; L358-Y398 HydrophobicContact CD1-CE1 4.13Å; L358-Y398 HydrophobicContact CD1-CE2 4.39Å; L358-Y398 HydrophobicContact CD1-CG 3.6Å; L358-Y398 HydrophobicContact CG-CD2 4.48Å
359P88.1Confident93Very high89 Ų8942 Ų4258%0.57825%0.254SS*.THydrogen-bonded Turntrans-58.8137.8-17924.7-34.1000110.6S361 Y398P359-S361 PolarHBondContact O-N 2.94Å; P359-Y398 HydrophobicContact CG-CE2 4.37Å
360T88.6Confident93Very high94 Ų9442.4 Ų42.458%0.57726%0.258SS*.THydrogen-bonded Turntrans59.422.4-176.359.50000115.4L358L358-T360 PolarHBondContact O-N 2.8Å
361S90.7Very high92.9Very high14 Ų1443 Ų4310%0.09826%0.259CS..SBendtrans-138.3155.3-179.2-1780000112.2L358 P359 E363 I396 Y398L358-S361 PolarHBondContact O-N 2.83Å; L358-S361 VanDerWaalsContact O-N 3.08Å; P359-S361 PolarHBondContact O-N 2.94Å; S361-E363 VanDerWaalsContact C-N 3.33Å; S361-E363 WeakPolarHBondContact OG-CB 3.38Å; S361-E363 PolarHBondContact OG-N 2.81Å; S361-I396 PolarHBondContact OG-O 3.24Å; S361-Y398 WeakPolarHBondContact OG-CA 3.37Å; S361-Y398 PolarHBondContact OG-N 2.71Å; S361-Y398 VanDerWaalsContact OG-N 3.13Å
362T91.3Very high92.7Very high46 Ų4643.1 Ų43.128%0.28226%0.26SS..SBendtrans-92.86.4166.356.70000112.5V326 I396V326-T362 WeakPolarHBondContact CG2-O 3.39Å; V326-T362 PolarHBondContact N-O 2.77Å; T362-I396 HydrophobicContact CG2-CB 4.02Å; T362-I396 HydrophobicContact CG2-CD1 4.22Å; T362-I396 HydrophobicContact CG2-CG1 4.07Å; T362-I396 PolarHBondContact N-O 3.23Å; T362-I396 PolarHBondContact OG1-N 3.22Å; T362-I396 PolarHBondContact OG1-O 3.36Å
363E93.6Very high92.7Very high4 Ų441 Ų412%0.01925%0.252CS..EExtended strand (participates in β ladder)trans-95.3149.5177.9-61.117113800111.7R235 V324 L358 S361 V395 L397 Y398R235-E363 IonicContact CZ-OE1 3.56Å; R235-E363 IonicContact CZ-OE2 2.69Å; R235-E363 IonicContact NH1-OE1 3.85Å; R235-E363 PolarHBondContact NH1-OE1 3.49Å; R235-E363 IonicContact NH1-OE2 2.61Å; R235-E363 PolarHBondContact NH1-OE2 3.16Å; V324-E363 CarbonylContact O-C 3.57Å; V324-E363 WeakPolarHBondContact O-CA 3.08Å; L358-E363 PolarHBondContact N-O 3.07Å; S361-E363 VanDerWaalsContact C-N 3.33Å; S361-E363 WeakPolarHBondContact OG-CB 3.38Å; S361-E363 PolarHBondContact OG-N 2.81Å; E363-V395 HydrophobicContact CG-CG1 4.38Å; E363-L397 WeakPolarHBondContact OE1-CD2 3.49Å; E363-Y398 VanDerWaalsContact OE2-CB 3.31Å; E363-Y398 WeakPolarHBondContact OE2-CB 3.47Å; E363-Y398 PolarHBondContact OE2-N 3.28Å
364R94.3Very high92.7Very high49 Ų4940.4 Ų40.419%0.18525%0.25CC..EExtended strand (participates in β ladder)trans-125143.4-179.2171.3179.3-70-137.55.2108.2V324 V326 V353 A354 S355V324-R364 PolarHBondContact N-O 3.42Å; V324-R364 PolarHBondContact O-N 2.92Å; V326-R364 HydrophobicContact CG2-CB 4.03Å; V353-R364 HydrophobicContact CG1-CG 4.31Å; A354-R364 HydrophobicContact CB-CG 4.2Å; A354-R364 WeakPolarHBondContact O-CD 2.96Å; A354-R364 WeakPolarHBondContact O-CG 3.36Å; A354-R364 VanDerWaalsContact O-CZ 3.27Å; A354-R364 PolarHBondContact O-NE 2.94Å; A354-R364 PolarHBondContact O-NH1 3.35Å; S355-R364 PolarHBondContact O-NH1 2.83Å; S355-R364 PolarHBondContact O-NH2 3.39Å
365T94.6Very high92.7Very high11 Ų1138.8 Ų38.87%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-82.5130.3177.452.30000111.4L237 L322 L323 A354 L358L237-T365 HydrophobicContact CD2-CG2 3.94Å; L322-T365 CarbonylContact O-C 3.11Å; L322-T365 WeakPolarHBondContact O-CA 3.46Å; L323-T365 HydrophobicContact CD2-CG2 3.79Å; A354-T365 WeakPolarHBondContact CB-O 3.29Å; A354-T365 WeakPolarHBondContact CB-OG1 3.3Å; A354-T365 PolarHBondContact N-O 2.87Å; L358-T365 HydrophobicContact CD1-CG2 3.96Å; L358-T365 HydrophobicContact CD2-CG2 3.98Å; L358-T365 HydrophobicContact CG-CG2 4.15Å
366V95.7Very high92.8Very high0 Ų033.7 Ų33.70%020%0.201CC..EExtended strand (participates in β ladder)trans-109.3107.2167.3-177.50000107.5L322 V324 I332 I351 Q352 V353 I368L322-V366 HydrophobicContact CB-CB 4.41Å; L322-V366 PolarHBondContact N-O 2.89Å; L322-V366 PolarHBondContact O-N 3.49Å; V324-V366 HydrophobicContact CB-CG2 4.21Å; V324-V366 HydrophobicContact CG2-CB 4.38Å; V324-V366 HydrophobicContact CG2-CG2 3.74Å; I332-V366 HydrophobicContact CD1-CG2 4.41Å; I351-V366 HydrophobicContact CG2-CG1 3.72Å; Q352-V366 CarbonylContact O-C 3.59Å; Q352-V366 WeakPolarHBondContact O-CA 3.34Å; V353-V366 HydrophobicContact CG1-CG2 4.37Å; V353-V366 HydrophobicContact CG2-CG1 4.11Å; V353-V366 HydrophobicContact CG2-CG2 4.12Å; V366-I368 HydrophobicContact CG1-CG1 4.41Å
367T95.1Very high92.9Very high34 Ų3434.5 Ų34.521%0.20920%0.203CC..EExtended strand (participates in β ladder)trans-84.1124.8176.9-51.80000109.1L320 R321 I351 Q352L320-T367 CarbonylContact O-C 3.55Å; L320-T367 VanDerWaalsContact O-CA 3.3Å; L320-T367 WeakPolarHBondContact O-CA 3.43Å; R321-T367 HydrophobicContact CG-CG2 4.3Å; I351-T367 CarbonylContact C-O 3.6Å; I351-T367 WeakPolarHBondContact CA-O 3.24Å; Q352-T367 PolarHBondContact N-O 3.45Å; Q352-T367 PolarHBondContact O-N 3.36Å
368I95.6Very high93.1Very high0 Ų032.3 Ų32.30%019%0.185CC..EExtended strand (participates in β ladder)trans-114.8128.4176.4-54.9167.5000106.9T319 L320 A349 I351 V366 I375 C378 I379 L382T319-I368 WeakPolarHBondContact CA-O 3.15Å; L320-I368 PolarHBondContact N-O 3.11Å; L320-I368 PolarHBondContact O-N 3.16Å; A349-I368 HydrophobicContact CB-CG2 4.24Å; I351-I368 HydrophobicContact CG2-CG1 4.45Å; V366-I368 HydrophobicContact CG1-CG1 4.41Å; I368-I375 HydrophobicContact CG2-CG1 4.28Å; I368-C378 HydrophobicContact CG2-CB 4.31Å; I368-I379 HydrophobicContact CD1-CD1 3.73Å; I368-L382 HydrophobicContact CD1-CD1 3.57Å
369S93.4Very high93.3Very high19 Ų1931.3 Ų31.313%0.13318%0.179CC..EExtended strand (participates in β ladder)trans-134.6141.1177.656.90000113.6V318 S350V318-S369 WeakPolarHBondContact O-CA 3.34Å; S350-S369 WeakPolarHBondContact CB-OG 3.1Å; S350-S369 PolarHBondContact N-O 2.99Å; S350-S369 PolarHBondContact O-N 2.77Å; S350-S369 PolarHBondContact O-OG 2.9Å
370G93.2Very high93.5Very high11 Ų1131.8 Ų31.811%0.11317%0.17CC..EExtended strand (participates in β ladder)trans164.7-163.4-177.500000112.4P317 V318P317-G370 CarbonylContact C-O 3.55Å; P317-G370 WeakPolarHBondContact CA-O 3.26Å; V318-G370 PolarHBondContact N-O 3.05Å; V318-G370 PolarHBondContact O-N 3.08Å; V318-G370 VanDerWaalsContact O-N 3.16Å
371T93Very high93.8Very high70 Ų7029.9 Ų29.943%0.42916%0.156SC..  trans-75.9163.8168.960.40000111.2E298 D373 S374 I375E298-T371 WeakPolarHBondContact OE1-CA 3.26Å; T371-D373 VanDerWaalsContact C-N 3.25Å; T371-D373 PolarHBondContact O-N 2.79Å; T371-S374 PolarHBondContact O-N 3.07Å; T371-S374 PolarHBondContact OG1-N 3.07Å; T371-S374 PolarHBondContact OG1-OG 2.75Å; T371-I375 WeakPolarHBondContact O-CG1 3.37Å; T371-I375 PolarHBondContact O-N 2.87Å
372A92.1Very high94Very high2 Ų229.3 Ų29.32%0.01715%0.152CC..Hα-helixtrans-54.8-39.417900000113.2S294 R295 E298 S376S294-A372 WeakPolarHBondContact OG-CA 3.48Å; S294-A372 VanDerWaalsContact OG-CB 3.32Å; S294-A372 WeakPolarHBondContact OG-CB 3.2Å; S294-A372 PolarHBondContact OG-O 3.42Å; R295-A372 HydrophobicContact CG-CB 3.97Å; E298-A372 VanDerWaalsContact CD-CB 3.45Å; E298-A372 HydrophobicContact CG-CB 4.33Å; E298-A372 PolarHBondContact OE1-N 3.44Å; E298-A372 WeakPolarHBondContact OE2-CB 3.46Å; A372-S376 WeakPolarHBondContact O-CB 3.49Å; A372-S376 PolarHBondContact O-N 3.22Å; A372-S376 PolarHBondContact O-OG 2.94Å
373D93.3Very high94Very high70 Ų7027.2 Ų27.237%0.37414%0.139SC..Hα-helixtrans-72.6-42.6178.7-67.8-29.6000112.2T371 I375 S376 K377T371-D373 VanDerWaalsContact C-N 3.25Å; T371-D373 PolarHBondContact O-N 2.79Å; D373-I375 PolarHBondContact O-N 3.5Å; D373-S376 PolarHBondContact O-N 2.92Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-K377 PolarHBondContact O-N 2.8Å
374S94.5Very high94Very high23 Ų2330.4 Ų30.416%0.16116%0.156CC..Hα-helixtrans-62.8-41.1175.8-780000112T347 T371 C378T347-S374 VanDerWaalsContact O-CB 3.24Å; T347-S374 WeakPolarHBondContact O-CB 3.42Å; T347-S374 PolarHBondContact O-OG 3.37Å; T371-S374 PolarHBondContact O-N 3.07Å; T371-S374 PolarHBondContact OG1-N 3.07Å; T371-S374 PolarHBondContact OG1-OG 2.75Å; S374-C378 VanDerWaalsContact O-CB 3.26Å; S374-C378 WeakPolarHBondContact O-CB 3.33Å; S374-C378 PolarHBondContact O-N 2.96Å
375I94.6Very high93.9Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-63.5-46.3174-68.7169.2000110.6V318 L320 I368 T371 D373 K377 C378 I379V318-I375 HydrophobicContact CB-CD1 3.73Å; V318-I375 HydrophobicContact CG1-CD1 3.93Å; L320-I375 HydrophobicContact CD1-CG2 3.61Å; I368-I375 HydrophobicContact CG2-CG1 4.28Å; T371-I375 WeakPolarHBondContact O-CG1 3.37Å; T371-I375 PolarHBondContact O-N 2.87Å; D373-I375 PolarHBondContact O-N 3.5Å; I375-K377 PolarHBondContact O-N 3.18Å; I375-C378 WeakPolarHBondContact O-CB 3.46Å; I375-C378 PolarHBondContact O-N 3.48Å; I375-I379 HydrophobicContact CG2-CG1 4.46Å; I375-I379 WeakPolarHBondContact O-CG1 3.47Å; I375-I379 PolarHBondContact O-N 2.76Å
376S93.3Very high93.7Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-60.4-45179.9-580000111.8Y287 T291 A372 D373 I379 R380Y287-S376 WeakPolarHBondContact CD2-O 3.46Å; Y287-S376 WeakPolarHBondContact CE2-O 3.49Å; T291-S376 WeakPolarHBondContact CA-OG 3.37Å; T291-S376 VanDerWaalsContact OG1-CB 3.26Å; T291-S376 WeakPolarHBondContact OG1-CB 3.32Å; T291-S376 PolarHBondContact OG1-OG 2.86Å; A372-S376 WeakPolarHBondContact O-CB 3.49Å; A372-S376 PolarHBondContact O-N 3.22Å; A372-S376 PolarHBondContact O-OG 2.94Å; D373-S376 PolarHBondContact O-N 2.92Å; S376-I379 PolarHBondContact O-N 2.58Å; S376-R380 PolarHBondContact O-N 3.49Å
377K94.2Very high93.4Very high119 Ų11931 Ų3152%0.51716%0.162SC..Hα-helixtrans-61.8-42.6174.4-70.4171.8-177.81790111.9T347 D373 I375 R380 L381T347-K377 HydrophobicContact CG2-CB 4.3Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-K377 PolarHBondContact O-N 2.8Å; I375-K377 PolarHBondContact O-N 3.18Å; K377-R380 PolarHBondContact O-N 3.33Å; K377-L381 PolarHBondContact O-N 2.86Å
378C95Very high93.2Very high0 Ų035.4 Ų35.40%018%0.18CC..Hα-helixtrans-62.3-43.5178.5179.80000112.8T347 A349 I351 I368 S374 I375 R380 L381 L382T347-C378 HydrophobicContact CG2-CB 3.83Å; A349-C378 HydrophobicContact CB-CB 4.17Å; I351-C378 WeakPolarHBondContact CD1-SG 3.26Å; I368-C378 HydrophobicContact CG2-CB 4.31Å; S374-C378 VanDerWaalsContact O-CB 3.26Å; S374-C378 WeakPolarHBondContact O-CB 3.33Å; S374-C378 PolarHBondContact O-N 2.96Å; I375-C378 WeakPolarHBondContact O-CB 3.46Å; I375-C378 PolarHBondContact O-N 3.48Å; C378-R380 VanDerWaalsContact C-N 3.32Å; C378-R380 PolarHBondContact O-N 3.44Å; C378-L381 PolarHBondContact O-N 2.63Å; C378-L382 WeakPolarHBondContact O-CG 3.27Å; C378-L382 PolarHBondContact O-N 3.05Å
379I94.6Very high92.6Very high2 Ų237.2 Ų37.21%0.0119%0.192CC..Hα-helixtrans-63.1-38.1178-67-67.3000111.6L234 I286 F290 I368 I375 S376 L382 C383L234-I379 HydrophobicContact CD1-CG2 4.18Å; I286-I379 HydrophobicContact CG2-CG2 3.91Å; F290-I379 HydrophobicContact CB-CG1 4.44Å; F290-I379 HydrophobicContact CB-CG2 4.41Å; F290-I379 HydrophobicContact CD1-CD1 4.09Å; F290-I379 HydrophobicContact CD1-CG1 3.77Å; F290-I379 HydrophobicContact CD2-CG1 4.45Å; F290-I379 HydrophobicContact CD2-CG2 3.76Å; F290-I379 HydrophobicContact CE1-CD1 3.82Å; F290-I379 HydrophobicContact CE1-CG1 4.05Å; F290-I379 HydrophobicContact CE2-CG2 4.09Å; F290-I379 HydrophobicContact CG-CB 4.4Å; F290-I379 HydrophobicContact CG-CG1 3.98Å; F290-I379 HydrophobicContact CG-CG2 4Å; F290-I379 HydrophobicContact CZ-CD1 4.05Å; I368-I379 HydrophobicContact CD1-CD1 3.73Å; I375-I379 HydrophobicContact CG2-CG1 4.46Å; I375-I379 WeakPolarHBondContact O-CG1 3.47Å; I375-I379 PolarHBondContact O-N 2.76Å; S376-I379 PolarHBondContact O-N 2.58Å; I379-L382 PolarHBondContact O-N 3.2Å; I379-C383 PolarHBondContact O-N 2.94Å; I379-C383 PolarHBondContact O-SG 2.85Å
380R93.9Very high92Very high100 Ų10040.3 Ų40.338%0.37721%0.211SC..Hα-helixtrans-57.9-54.4175.8-167.9-180-174.494.14111.3T283 E284 Y287 S376 K377 C378 L382 C383 D384T283-R380 HydrophobicContact CG2-CG 4.26Å; E284-R380 IonicContact OE1-NH1 3.8Å; E284-R380 IonicContact OE2-CZ 3.94Å; E284-R380 IonicContact OE2-NH1 3.32Å; E284-R380 PolarHBondContact OE2-NH1 3.04Å; E284-R380 IonicContact OE2-NH2 3.61Å; E284-R380 PolarHBondContact OE2-NH2 3.02Å; Y287-R380 HydrophobicContact CD2-CB 4.18Å; S376-R380 PolarHBondContact O-N 3.49Å; K377-R380 PolarHBondContact O-N 3.33Å; C378-R380 VanDerWaalsContact C-N 3.32Å; C378-R380 PolarHBondContact O-N 3.44Å; R380-L382 VanDerWaalsContact C-N 3.3Å; R380-L382 PolarHBondContact O-N 2.77Å; R380-C383 WeakPolarHBondContact O-CB 3.47Å; R380-C383 PolarHBondContact O-N 2.83Å; R380-C383 VanDerWaalsContact O-N 3.08Å; R380-D384 PolarHBondContact O-N 2.97Å; R380-D384 VanDerWaalsContact O-N 3.13Å
381L93.8Very high91.3Very high54 Ų5444 Ų4428%0.28323%0.229SC..Hα-helixtrans-61.1-36.1178.6-63.2179000113V343 L346 T347 K377 C378 D384 I385V343-L381 HydrophobicContact CG1-CB 4.29Å; V343-L381 HydrophobicContact CG1-CD1 4.23Å; V343-L381 HydrophobicContact CG2-CB 4.4Å; V343-L381 HydrophobicContact CG2-CD1 4.49Å; L346-L381 HydrophobicContact CB-CD1 4.11Å; L346-L381 HydrophobicContact CD1-CD1 4.2Å; T347-L381 HydrophobicContact CG2-CD1 3.72Å; K377-L381 PolarHBondContact O-N 2.86Å; C378-L381 PolarHBondContact O-N 2.63Å; L381-D384 PolarHBondContact O-N 3.16Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 3.04Å; L381-I385 VanDerWaalsContact O-N 3.15Å
382L94.1Very high90.6Very high2 Ų249.3 Ų49.31%0.0125%0.246CC..Hα-helixtrans-67.8-37.6175.1-71.7173.3000112.2L322 I332 I368 C378 I379 R380 D384 I385 F386L322-L382 HydrophobicContact CD2-CD1 4.47Å; I332-L382 HydrophobicContact CD1-CD2 4.33Å; I332-L382 HydrophobicContact CG1-CD2 4.2Å; I332-L382 HydrophobicContact CG2-CD2 3.73Å; I368-L382 HydrophobicContact CD1-CD1 3.57Å; C378-L382 WeakPolarHBondContact O-CG 3.27Å; C378-L382 PolarHBondContact O-N 3.05Å; I379-L382 PolarHBondContact O-N 3.2Å; R380-L382 VanDerWaalsContact C-N 3.3Å; R380-L382 PolarHBondContact O-N 2.77Å; L382-D384 VanDerWaalsContact C-N 3.32Å; L382-D384 PolarHBondContact O-N 2.82Å; L382-I385 PolarHBondContact O-N 3.26Å; L382-F386 HydrophobicContact CB-CE2 4.14Å; L382-F386 WeakPolarHBondContact O-CD2 3.45Å; L382-F386 VanDerWaalsContact O-CG 3.3Å; L382-F386 WeakPolarHBondContact O-CG 3.31Å; L382-F386 PolarHBondContact O-N 3.27Å
383C92.9Very high89.8Confident1 Ų151.7 Ų51.71%0.00727%0.27CS..Hα-helixtrans-60.2-43.1173.4-68.20000111.5L232 T283 I379 R380 I385 F386 L387L232-C383 HydrophobicContact CD1-CB 3.56Å; T283-C383 HydrophobicContact CG2-CB 3.67Å; I379-C383 PolarHBondContact O-N 2.94Å; I379-C383 PolarHBondContact O-SG 2.85Å; R380-C383 WeakPolarHBondContact O-CB 3.47Å; R380-C383 PolarHBondContact O-N 2.83Å; R380-C383 VanDerWaalsContact O-N 3.08Å; C383-I385 VanDerWaalsContact C-N 3.34Å; C383-I385 PolarHBondContact O-N 2.8Å; C383-F386 PolarHBondContact O-N 2.86Å; C383-F386 VanDerWaalsContact O-N 3.14Å; C383-L387 WeakPolarHBondContact O-CG 3.39Å; C383-L387 PolarHBondContact O-N 3.35Å
384D92.2Very high89.3Confident72 Ų7254.2 Ų54.239%0.38529%0.29SS..Hα-helixtrans-63.7-40.3178.7-57.4-32.7000111.2R380 L381 L382 F386 L387 E388R380-D384 PolarHBondContact O-N 2.97Å; R380-D384 VanDerWaalsContact O-N 3.13Å; L381-D384 PolarHBondContact O-N 3.16Å; L382-D384 VanDerWaalsContact C-N 3.32Å; L382-D384 PolarHBondContact O-N 2.82Å; D384-F386 PolarHBondContact O-N 2.95Å; D384-L387 PolarHBondContact O-N 2.86Å; D384-E388 PolarHBondContact O-N 2.72Å
385I92.1Very high89Confident11 Ų1155.4 Ų55.46%0.05630%0.296CS..Hα-helixtrans-64.5-36.5173.1-66.1165.5000112.1I332 V343 L381 L382 C383 L387 E388 C389I332-I385 HydrophobicContact CG1-CG2 4.39Å; V343-I385 HydrophobicContact CG2-CD1 3.89Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 3.04Å; L381-I385 VanDerWaalsContact O-N 3.15Å; L382-I385 PolarHBondContact O-N 3.26Å; C383-I385 VanDerWaalsContact C-N 3.34Å; C383-I385 PolarHBondContact O-N 2.8Å; I385-L387 VanDerWaalsContact C-N 3.33Å; I385-E388 PolarHBondContact O-N 2.91Å; I385-C389 PolarHBondContact O-N 3.38Å
386F91.2Very high88.7Confident16 Ų1660.2 Ų60.27%0.0732%0.321CS..Hα-helixtrans-69.4-29.9175.5-66.2-47.1000113.1L232 L234 L322 V324 Q328 I332 L382 C383 D384 C389L232-F386 HydrophobicContact CD2-CB 4.16Å; L234-F386 HydrophobicContact CD2-CD2 3.8Å; L234-F386 HydrophobicContact CD2-CE2 3.68Å; L322-F386 HydrophobicContact CD2-CE2 4.08Å; L322-F386 HydrophobicContact CD2-CZ 4.07Å; V324-F386 HydrophobicContact CG1-CE1 3.7Å; V324-F386 HydrophobicContact CG1-CZ 4.08Å; V324-F386 HydrophobicContact CG2-CE1 4.31Å; V324-F386 HydrophobicContact CG2-CZ 3.81Å; Q328-F386 HydrophobicContact CB-CD1 4.44Å; Q328-F386 HydrophobicContact CB-CE1 4.38Å; I332-F386 HydrophobicContact CD1-CE1 3.73Å; I332-F386 HydrophobicContact CD1-CZ 3.78Å; I332-F386 HydrophobicContact CG1-CE1 4.11Å; I332-F386 HydrophobicContact CG1-CZ 4.43Å; L382-F386 HydrophobicContact CB-CE2 4.14Å; L382-F386 WeakPolarHBondContact O-CD2 3.45Å; L382-F386 VanDerWaalsContact O-CG 3.3Å; L382-F386 WeakPolarHBondContact O-CG 3.31Å; L382-F386 PolarHBondContact O-N 3.27Å; C383-F386 PolarHBondContact O-N 2.86Å; C383-F386 VanDerWaalsContact O-N 3.14Å; D384-F386 PolarHBondContact O-N 2.95Å; F386-C389 CarbonylContact O-C 3.56Å
387L90.2Very high88.6Confident46 Ų4664.4 Ų64.424%0.24134%0.343CS..Hα-helixtrans-74.8-41172.4-67.9171.8000111.9N228 S230 L232 C383 D384 I385 C389N228-L387 HydrophobicContact CB-CD1 4.35Å; S230-L387 VanDerWaalsContact CB-CD2 3.41Å; L232-L387 HydrophobicContact CD1-CD1 4.33Å; L232-L387 HydrophobicContact CD1-CD2 4.29Å; L232-L387 HydrophobicContact CD1-CG 4.07Å; L232-L387 HydrophobicContact CD2-CD2 3.66Å; L232-L387 HydrophobicContact CD2-CG 4.05Å; L232-L387 HydrophobicContact CG-CD2 3.98Å; L232-L387 HydrophobicContact CG-CG 4.3Å; C383-L387 WeakPolarHBondContact O-CG 3.39Å; C383-L387 PolarHBondContact O-N 3.35Å; D384-L387 PolarHBondContact O-N 2.86Å; I385-L387 VanDerWaalsContact C-N 3.33Å; L387-C389 VanDerWaalsContact C-N 3.26Å; L387-C389 PolarHBondContact O-N 2.78Å
388E89.5Confident88.4Confident126 Ų12659.9 Ų59.959%0.58932%0.323SS*.Hα-helixtrans-61.2-35.4174.7-171.1-177.3-17400111.4K339 D384 I385K339-E388 IonicContact NZ-OE1 3.92Å; K339-E388 IonicContact NZ-OE2 3.87Å; K339-E388 PolarHBondContact NZ-OE2 2.76Å; D384-E388 PolarHBondContact O-N 2.72Å; I385-E388 PolarHBondContact O-N 2.91Å
389C84.5Confident87.8Confident38 Ų3869.6 Ų69.626%0.25736%0.36SS..SBendtrans-126.385.5-175-72.60000113Q328 S331 I385 F386 L387Q328-C389 PolarHBondContact NE2-O 3.2Å; S331-C389 WeakPolarHBondContact OG-CB 3.3Å; S331-C389 PolarHBondContact OG-SG 3.5Å; I385-C389 PolarHBondContact O-N 3.38Å; F386-C389 CarbonylContact O-C 3.56Å; L387-C389 VanDerWaalsContact C-N 3.26Å; L387-C389 PolarHBondContact O-N 2.78Å
390P80.4Confident87.1Confident83 Ų8370.6 Ų70.654%0.53937%0.366SS..  trans-60.5152.4173.425.4-34.6000112K392P390-K392 PolarHBondContact O-N 3.15Å
391N79Confident86.2Confident90 Ų9072.8 Ų72.848%0.48138%0.378SS..  trans-66.3118.7-17855.8-32.5000111.8Q328 V395Q328-N391 HydrophobicContact CG-CB 4.08Å; N391-V395 HydrophobicContact CB-CG2 4.47Å
392K77.2Confident85Confident181 Ų18173.1 Ų73.179%0.78738%0.384SS*.  trans-96.1104.8177.6-58.6-174.2-176.1-175.70110P390P390-K392 PolarHBondContact O-N 3.15Å
393G75.9Confident83.5Confident51 Ų5178.3 Ų78.353%0.52642%0.415SS..SBendtrans109.1175.8174.600000115
394P82.7Confident81.8Confident123 Ų12384.6 Ų84.680%0.79945%0.448SS*.  trans-67.3135-177.228.2-34.8000111.5
395V87.4Confident79.8Confident48 Ų4883.9 Ų83.929%0.29146%0.457SS..  trans-109.1112.1176.7-177.80000109.6P325 E363 N391 L397P325-V395 HydrophobicContact CB-CG1 4.16Å; P325-V395 HydrophobicContact CB-CG2 4Å; P325-V395 HydrophobicContact CG-CG1 3.81Å; P325-V395 HydrophobicContact CG-CG2 3.98Å; E363-V395 HydrophobicContact CG-CG1 4.38Å; N391-V395 HydrophobicContact CB-CG2 4.47Å; V395-L397 HydrophobicContact CG1-CD2 3.98Å
396I89.6Confident77.4Confident102 Ų10290.5 Ų90.552%0.52349%0.492SS..  trans-85.8112.3168.1-54.9177.4000107.6S361 T362S361-I396 PolarHBondContact OG-O 3.24Å; T362-I396 HydrophobicContact CG2-CB 4.02Å; T362-I396 HydrophobicContact CG2-CD1 4.22Å; T362-I396 HydrophobicContact CG2-CG1 4.07Å; T362-I396 PolarHBondContact N-O 3.23Å; T362-I396 PolarHBondContact OG1-N 3.22Å; T362-I396 PolarHBondContact OG1-O 3.36Å
397L89.7Confident75Confident87 Ų8794.9 Ų94.946%0.45552%0.522SS..  trans-73.5133.1-179.1-60178.1000111.3E363 V395 R399E363-L397 WeakPolarHBondContact OE1-CD2 3.49Å; V395-L397 HydrophobicContact CG1-CD2 3.98Å; L397-R399 PolarHBondContact O-N 3.49Å
398Y89.7Confident72.5Confident25 Ų2595.5 Ų95.510%0.09854%0.54CS..  trans-60.3132.2171.3-175.1-117.7000110.5R235 L237 I276 L358 P359 S361 E363 P400R235-Y398 PolarHBondContact NH2-O 3.46Å; L237-Y398 HydrophobicContact CD1-CD1 4.29Å; L237-Y398 HydrophobicContact CD1-CE1 4.06Å; I276-Y398 HydrophobicContact CD1-CD1 3.95Å; I276-Y398 WeakPolarHBondContact CD1-O 3.46Å; L358-Y398 HydrophobicContact CB-CD2 3.73Å; L358-Y398 HydrophobicContact CB-CE2 4.08Å; L358-Y398 HydrophobicContact CB-CG 4.19Å; L358-Y398 HydrophobicContact CD1-CD1 3.67Å; L358-Y398 HydrophobicContact CD1-CD2 3.97Å; L358-Y398 HydrophobicContact CD1-CE1 4.13Å; L358-Y398 HydrophobicContact CD1-CE2 4.39Å; L358-Y398 HydrophobicContact CD1-CG 3.6Å; L358-Y398 HydrophobicContact CG-CD2 4.48Å; P359-Y398 HydrophobicContact CG-CE2 4.37Å; S361-Y398 WeakPolarHBondContact OG-CA 3.37Å; S361-Y398 PolarHBondContact OG-N 2.71Å; S361-Y398 VanDerWaalsContact OG-N 3.13Å; E363-Y398 VanDerWaalsContact OE2-CB 3.31Å; E363-Y398 WeakPolarHBondContact OE2-CB 3.47Å; E363-Y398 PolarHBondContact OE2-N 3.28Å; Y398-P400 HydrophobicContact CE1-CB 3.93Å
399R84.2Confident70.1Confident204 Ų20497 Ų9777%0.7755%0.551SS**  trans-122.7113.1171-66.3-174.4179.2-170.5-0.6107.4L397 K401L397-R399 PolarHBondContact O-N 3.49Å; R399-K401 PolarHBondContact O-N 3.05Å; R399-K401 VanDerWaalsContact O-N 3.16Å
400P79.6Confident68Low22 Ų22101.9 Ų101.914%0.14357%0.574CS.*PPolyproline II helixtrans-68.3116.8-179.228.3-32.6000108.2S272 E274 Y398S272-P400 PolarHBondContact OG-O 2.87Å; E274-P400 HydrophobicContact CB-CB 4.45Å; E274-P400 WeakPolarHBondContact O-CG 3.47Å; Y398-P400 HydrophobicContact CE1-CB 3.93Å
401K74.1Confident65.6Low146 Ų146102.5 Ų102.564%0.63558%0.579SS**PPolyproline II helixtrans-60.9132.9179.7-65.7-179.2-177.9178.50108.9S272 R399 V403S272-K401 PolarHBondContact OG-O 2.75Å; R399-K401 PolarHBondContact O-N 3.05Å; R399-K401 VanDerWaalsContact O-N 3.16Å; K401-V403 PolarHBondContact O-N 2.81Å
402P69.9Low63.7Low62 Ų62103.2 Ų103.240%0.40359%0.588SS.*PPolyproline II helixtrans-60135171.727.3-33.8000108S271 S272 I404S271-P402 WeakPolarHBondContact OG-CB 3.31Å; S272-P402 WeakPolarHBondContact OG-CA 3.28Å; P402-I404 HydrophobicContact CG-CG1 4.47Å; P402-I404 PolarHBondContact O-N 3.06Å
403V62.1Low61.9Low110 Ų11099.1 Ų99.167%0.66759%0.588SS**  trans-7390.3171.2179.90000106.2P273 K401 G405P273-V403 HydrophobicContact CG-CG2 3.82Å; K401-V403 PolarHBondContact O-N 2.81Å; V403-G405 PolarHBondContact O-N 3.33Å
404I57.5Low60.2Low134 Ų134101.5 Ų101.569%0.68759%0.593SS**  trans-66.890.8166.7-57.5173.1000105.4P402 N406P402-I404 HydrophobicContact CG-CG1 4.47Å; P402-I404 PolarHBondContact O-N 3.06Å; I404-N406 PolarHBondContact O-N 3.03Å
405G49.6Very low58.1Low56 Ų56101.7 Ų101.758%0.57759%0.592SS**  trans-55.2132.9164.300000107.8V403 P407V403-G405 PolarHBondContact O-N 3.33Å; G405-P407 WeakPolarHBondContact O-CD 3.4Å; G405-P407 VanDerWaalsContact O-N 3.15Å
406N42.5Very low55.7Low150 Ų150108.3 Ų108.380%0.80262%0.617SS**  trans-46.4123.9-175.4-79.2-2.1000110.6I404 G408I404-N406 PolarHBondContact O-N 3.03Å; N406-G408 PolarHBondContact O-N 3.04Å
407P39.7Very low53.3Low108 Ų108107.8 Ų107.870%0.70162%0.622SS**THydrogen-bonded Turntrans-7372.2169.631.2-33.7000108.7G405G405-P407 WeakPolarHBondContact O-CD 3.4Å; G405-P407 VanDerWaalsContact O-N 3.15Å
408G38.7Very low50.8Low60 Ų60109.3 Ų109.362%0.61964%0.64SS**THydrogen-bonded Turntrans-141.2-2.1-171.300000114.6N406N406-G408 PolarHBondContact O-N 3.04Å
409L37.9Very low48.4Very low156 Ų156111.4 Ų111.482%0.81767%0.669SS**  trans-146.152.8169.2-129.2112.2000111.5C411L409-C411 VanDerWaalsContact C-N 3.32Å; L409-C411 PolarHBondContact O-N 2.84Å; L409-C411 VanDerWaalsContact O-N 3.13Å
410I40Very low46.1Very low142 Ų142109.2 Ų109.273%0.72867%0.672SS**  trans-79.388.6164.7-52.8175.4000106.9
411C31.4Very low44Very low96 Ų96114.6 Ų114.665%0.64970%0.699SS**  trans-58.7125.8158.5-60.50000107L409 A413L409-C411 VanDerWaalsContact C-N 3.32Å; L409-C411 PolarHBondContact O-N 2.84Å; L409-C411 VanDerWaalsContact O-N 3.13Å; C411-A413 PolarHBondContact O-N 2.86Å
412P38.2Very low42.1Very low104 Ų104115.1 Ų115.168%0.67570%0.703SS**  trans-64.5115.7173.326.8-31.9000107.6T414P412-T414 PolarHBondContact O-N 3.44Å
413A40.2Very low40.4Very low96 Ų96116.4 Ų116.479%0.79371%0.714SS**  trans-62.991.1162.300000106.9C411 T415C411-A413 PolarHBondContact O-N 2.86Å; A413-T415 PolarHBondContact O-N 2.81Å
414T39.6Very low39.1Very low100 Ų100118.2 Ų118.261%0.61372%0.72SS**  trans-67.2105.4178.536.60000107.8P412 F416P412-T414 PolarHBondContact O-N 3.44Å; T414-F416 HydrophobicContact CG2-CE2 4.37Å; T414-F416 PolarHBondContact O-N 3.13Å
415T39.2Very low38Very low127 Ų127118.9 Ų118.978%0.77972%0.724SS**  trans-69.381.5174.3-58.10000108.3A413 S417A413-T415 PolarHBondContact O-N 2.81Å; T415-S417 VanDerWaalsContact C-N 3.32Å; T415-S417 PolarHBondContact O-N 3.39Å
416F35.9Very low37.5Very low188 Ų188121.7 Ų121.783%0.82574%0.735SS**  trans-86.180.7167.9-86.3-72.9000109.7T414T414-F416 HydrophobicContact CG2-CE2 4.37Å; T414-F416 PolarHBondContact O-N 3.13Å
417S39.6Very low37.2Very low90 Ų90117.8 Ų117.863%0.62973%0.73SS**  trans-87.2140.2156.7-640000109.3T415T415-S417 VanDerWaalsContact C-N 3.32Å; T415-S417 PolarHBondContact O-N 3.39Å
418S37.9Very low36.9Very low120 Ų120120.9 Ų120.984%0.83974%0.739SS**  trans68.297.2157.4-52.40000118.8
419G38Very low36.7Very low68 Ų68123.6 Ų123.670%0.70175%0.746SS**  60.6112.2107.900000120.7
420L36.8Very low36.7Very low159 Ų159124.2 Ų124.283%0.83275%0.75SS**  trans69.1115.3135.7-95.182.4000120.9
421L35.1Very low36.4Very low135 Ų135121.7 Ų121.771%0.70775%0.745SS**  trans99.8140.3137.4-60.1167.2000121
422H34.9Very low36.3Very low156 Ų156123.5 Ų123.572%0.72275%0.752SS**  trans79.376.6158.7-55.1125.1000121.4
423S34.1Very low36Very low89 Ų89123.8 Ų123.862%0.62276%0.756SS**  47.5137.6110.165.70000123.7
424N33.8Very low35.5Very low148 Ų148126.5 Ų126.579%0.79175%0.752SS**  trans77.7134.5153.8-58-30000116.4
425L35.4Very low35Very low148 Ų148128 Ų12878%0.77576%0.756SS**  cis-170.7141.822.5-159.663.8000111.1
426S38.4Very low34.8Very low115 Ų115126.9 Ų126.980%0.80475%0.754SS**  trans53.5137.8145.863.80000124.5
427G36.8Very low34.7Very low68 Ų68125.4 Ų125.470%0.70175%0.749SS**  trans139.149.7149.200000118.5
428L34Very low34.4Very low173 Ų173128.5 Ų128.591%0.90675%0.754SS**  68.1129.2117.3-71.3176.8000120
429P34.4Very low34.2Very low118 Ų118128.6 Ų128.677%0.76675%0.754SS**  trans-111.6152.7178.640.5-32.2000115.3
430L36.3Very low33.9Very low169 Ų169128.7 Ų128.789%0.88576%0.755SS**  trans-157.7161.3165.5-71.3178.2000108.4
431S34.4Very low33.6Very low89 Ų89132 Ų13262%0.62276%0.759SS**  cis167.8114.8-43.955.60000108.4
432V30.6Very low33.5Very low133 Ų133132.3 Ų132.381%0.80677%0.766SS**  trans68.9156.2147.5-163.90000120
433C31.5Very low33.5Very low111 Ų111130.4 Ų130.475%0.7577%0.766SS**  trans81.4141.7172.1-59.50000117.6
434E28.7Very low33.5Very low153 Ų153132.5 Ų132.572%0.71578%0.777SS**  cis172156.3-36.1-119.7-175.9117.200105.8
435N30.6Very low33.5Very low130 Ų130132.6 Ų132.670%0.69578%0.776SS**  trans73.595.2155-62.6-23.5000121.5
436S33.2Very low33.1Very low105 Ų105132.8 Ų132.873%0.73478%0.777SS**  104151.898.176.30000121.6
437H35.1Very low32.7Very low156 Ų156133 Ų13372%0.72277%0.774SS**  trans74.884.4170.8-74.5-75.9000122.1
438E32.6Very low32.4Very low156 Ų156134.8 Ų134.873%0.72978%0.775SS**  67133100.1-152.2-178.6178.900122.4
439S33.2Very low32.3Very low121 Ų121130.8 Ų130.885%0.84677%0.767SS**  trans79.9142.3155.778.70000119.7
440G31.7Very low32.1Very low71 Ų71130 Ų13073%0.73277%0.765SS**  trans129.483.9163.100000115.7
441Y30.6Very low31.8Very low229 Ų229129.4 Ų129.490%0.89876%0.762SS**  trans-52.8140164.3-60.6-98.2000112.1
442T34Very low31.8Very low140 Ų140133.3 Ų133.386%0.85978%0.775SS**  -178.9159.6129.135.90000111.9
443T33.7Very low31.6Very low117 Ų117131.6 Ų131.672%0.71877%0.768SS**  trans-71.5141.1-177.149.30000114.1I445T443-I445 PolarHBondContact O-N 3.34Å
444P35.1Very low31.7Very low133 Ų133134 Ų13486%0.86477%0.773SS**  trans-85.5103.5162.632.4-28.9000110.7
445I32.7Very low31.8Very low149 Ų149134.9 Ų134.976%0.76478%0.778SS**  trans-78.4149.7154.5-74.3175000107.9T443T443-I445 PolarHBondContact O-N 3.34Å
446L27.4Very low32Very low153 Ų153135 Ų13580%0.80178%0.783SS**  trans-54.9153.7-179.6-6390.2000112.8
447T30.4Very low32.1Very low119 Ų119136.4 Ų136.473%0.7378%0.782SS**  162.2152.6103.3-59.50000111.6
448S31.4Very low32.1Very low105 Ų105134.1 Ų134.173%0.73478%0.784SS**  trans65.3111.7165.138.10000117.3
449A30.5Very low32.1Very low90 Ų90133 Ų13374%0.74479%0.788SS**  71.8126.183.800000112.5
450S31.4Very low32.1Very low102 Ų102131.9 Ų131.971%0.71378%0.779SS**  -169.8146.473.1-64.60000113.1
451L30.3Very low32.5Very low156 Ų156134.2 Ų134.282%0.81778%0.782SS**  trans40.8120136.9-49.8168000119.6
452L33.1Very low32.8Very low171 Ų171128.5 Ų128.590%0.89577%0.771SS**  -163.9148.796.9-123.183000111.9
453S27.3Very low32.9Very low96 Ų96129.7 Ų129.767%0.67177%0.771SS**  trans-91.8156.4-176.746.80000113.3
454N34.1Very low32.8Very low161 Ų161131.2 Ų131.286%0.86178%0.775SS**  trans-160.2138.7131.6-99.8-12.7000111.9
455E30.4Very low32.7Very low173 Ų173135.2 Ų135.281%0.80877%0.773SS**  trans-76.6159.6177-57.5155.597.400111.7
456V35Very low32.6Very low132 Ų132133.4 Ų133.480%0.877%0.769SS**  -160.9122114.2-144.40000112.3
457N35Very low32.9Very low134 Ų134137 Ų13772%0.71777%0.774SS**  trans30.6117.9144.6-58.9-19.6000121.4
458S34.2Very low33.1Very low109 Ų109134.6 Ų134.676%0.76277%0.765SS**  114.5157.184.267.40000111
459V33.9Very low33.4Very low133 Ų133136.3 Ų136.381%0.80677%0.766SS**  cis-143.6153.718173.80000110
460S32Very low33.6Very low96 Ų96139 Ų13967%0.67176%0.763SS**  trans-94.8174.2176.5-450000113.6
461P40.1Very low33.8Very low121 Ų121143.5 Ų143.579%0.78677%0.771SS**  -142.4142.988.130.4-11.2000114
462T36.3Very low34.1Very low108 Ų108139.7 Ų139.766%0.66377%0.769SS**  79.4114.355.6-48.50000114.1
463L36.1Very low34.3Very low165 Ų165139 Ų13986%0.86476%0.764SS**  168.1162.4127.7-90.3175.4000111.1
464N32.4Very low34.9Very low150 Ų150140 Ų14080%0.80277%0.769SS**  -143.4170.5-81.1-156.1-1.8000109.8
465R32.5Very low35Very low216 Ų216137.5 Ų137.582%0.81576%0.763SS**  trans-104.2156.4-172.3-167.4-155.7-82.8-131.3-6.4112.7
466T31.1Very low35.3Very low112 Ų112132.6 Ų132.669%0.68776%0.759SS**  trans93124.7145.7-17.50000120
467Y33.2Very low35.4Very low229 Ų229133.8 Ų133.890%0.89876%0.76SS**  trans-127.5157.4139.9-86.5-100.8000105.9
468A35Very low35.3Very low67 Ų67134.9 Ų134.955%0.55477%0.765SS**  cis-170.7164.2-27.900000107.1
469N36.6Very low35.3Very low142 Ų142135.6 Ų135.676%0.75977%0.77SS**  trans71.3146.6170.6-53.6-32000117.1
470Q36.6Very low35.5Very low145 Ų145133 Ų13368%0.67877%0.77SS**  cis-164.4152.3-14.9-118179.931.700110.7
471F35Very low35.7Very low198 Ų198131.6 Ų131.687%0.86877%0.77SS**  trans56131.1158.2-76.9-80.2000123.1
472G35.3Very low35.3Very low75 Ų75133 Ų13377%0.77378%0.777SS**  trans148.8102.4155.200000117.8
473I38.6Very low35.3Very low156 Ų156130.9 Ų130.980%0.878%0.776SS**  trans-143.8143.7-173.7-66.1174.9000107.4
474P40Very low35.3Very low118 Ų118130 Ų13077%0.76678%0.777SS**  cis-118-175.538.712.314.2000114.7
475S35.7Very low35.3Very low108 Ų108128.3 Ų128.376%0.75578%0.777SS**  cis99.4129.417.4-42.50000117.9
476G37.3Very low35.4Very low70 Ų70121.4 Ų121.472%0.72277%0.773SS**  trans157.4101.8174.100000110.5
477I35.6Very low35.5Very low158 Ų158121 Ų12181%0.8178%0.775SS**  cis99.7145.542.7-63.5167000111.9
478L34.3Very low35.2Very low157 Ų157115.6 Ų115.682%0.82277%0.769SS**  trans79.7116.9-173.4-101.266.5000115.7
479S34.4Very low35Very low124 Ų124117.1 Ų117.187%0.86778%0.776SS**  cis87.1129.812.1-157.80000118.4
480G37.1Very low34.6Very low78 Ų78117.1 Ų117.180%0.80478%0.781SS**  trans109.2134.4173.800000114.1
481G36.6Very low34.3Very low66 Ų66113.4 Ų113.468%0.6878%0.782SS**  cis-176.8129.5-7.100000112.9
482T32.4Very low34Very low152 Ų152110.2 Ų110.293%0.93378%0.782SS**  trans24130.7136.357.10000122.8
483G36Very low33.9Very low62 Ų62110.1 Ų110.164%0.63978%0.781SS**  trans169.8105.8155.400000111.2
484V35.2Very low33.9Very low147 Ų147108.8 Ų108.889%0.89178%0.78SS**  49.7140.690.9-47.20000114.5
485S33Very low33.5Very low114 Ų114109.6 Ų109.680%0.79778%0.778SS**  cis-178.6153.1-1448.40000109.1
486G34.5Very low33.5Very low71 Ų71111.2 Ų111.273%0.73278%0.778SS**  trans78162167.800000115.5
487S33.2Very low33.6Very low105 Ų105113.8 Ų113.873%0.73478%0.78SS**  cis163.4133.1-22.844.20000105.9
488C26Very low33.6Very low114 Ų114110.7 Ų110.777%0.7777%0.772SS**  trans63.8137.7152.878.90000122.3
489S30.8Very low33.7Very low99 Ų99110.5 Ų110.569%0.69277%0.77SS**  trans98.6110.3132.4-650000122.4
490V29.3Very low33.7Very low143 Ų143111.5 Ų111.587%0.86777%0.765SS**  72.7118.5124.5-177.20000120.2
491G29.4Very low33.6Very low67 Ų67112.8 Ų112.869%0.69176%0.759SS**  trans83.1164.8146.300000117.1
492C28.7Very low33.5Very low131 Ų131116.2 Ų116.289%0.88576%0.761SS**  cis-174.1147.1-17.1430000109.9
493G33.7Very low33.7Very low72 Ų72116.2 Ų116.274%0.74276%0.755SS**  trans79.3166.2165.500000116.8
494V38.6Very low33.8Very low129 Ų129118.1 Ų118.178%0.78276%0.756SS**  cis-157142.1-8.6-106.70000110.7
495N31.8Very low33.5Very low134 Ų134117.3 Ų117.372%0.71775%0.752SS**  trans41.2126.8140.4-53.4-13.3000121.2
496N35.5Very low33.6Very low143 Ų143115.5 Ų115.577%0.76574%0.744SS**  -161124.498-103.5-11.1000114.2
497T38.9Very low33.3Very low123 Ų123119.3 Ų119.376%0.75575%0.747SS**  trans45.9132.6137.7560000120.4
498S36.3Very low33.2Very low94 Ų94120.1 Ų120.166%0.65775%0.748SS**  cis-171.1143.817.749.50000114.5
499I35.2Very low33.3Very low152 Ų152121.3 Ų121.378%0.77974%0.744SS**  63.5131.6128.7-64.4172000118.5
500I35.3Very low33.3Very low146 Ų146124.3 Ų124.375%0.74975%0.747SS**  cis-155.6153-5.5-108.5173.2000108.5
501P35.9Very low33.3Very low105 Ų105122.6 Ų122.668%0.68274%0.741SS**  trans-105165.9176.940-34.4000114.6
502N34.3Very low33.6Very low137 Ų137124.4 Ų124.473%0.73374%0.741SS**  trans167.4121.2143.4-93.4-39.5000112.4
503L35.6Very low33.6Very low153 Ų153125.4 Ų125.480%0.80174%0.737SS**  90.4162.897.1-117.162000112.8
504P37.8Very low33.5Very low102 Ų102128.7 Ų128.766%0.66274%0.742SS**  -138.3-163.9-114.736.2-12.6000115.7
505T30.4Very low33Very low130 Ų130128.6 Ų128.680%0.79874%0.742SS**  trans95.5147.8151.1-23.30000118.8
506A34.4Very low33Very low76 Ų76130.1 Ų130.163%0.62875%0.748SS**  trans82.195.4154.100000119.8
507N28.8Very low32.8Very low150 Ų150126.5 Ų126.580%0.80275%0.745SS**  52.8140.5118.2-53.8-11000121.7
508T30Very low32.6Very low123 Ų123126.7 Ų126.776%0.75575%0.751SS**  trans115.2103.6136.9-42.40000116.6
509M28.8Very low32.3Very low139 Ų139125.9 Ų125.969%0.68576%0.757SS**  trans67.7129.5143.5-64.4-68.4116.300122.4
510Q30.6Very low32.4Very low162 Ų162130 Ų13076%0.75776%0.763SS**  trans67.5107.2132.9-66.4163.4-15.500119.8
511S29.6Very low32.2Very low106 Ų106128.7 Ų128.774%0.74176%0.764SS**  12.8155.612761.30000121.3
512P36.2Very low32Very low106 Ų106130.2 Ų130.269%0.68877%0.771SS**  cis-137.7-179-433.5-11.4000115.6
513L27.6Very low31.8Very low152 Ų152130.7 Ų130.780%0.79677%0.774SS**  trans50.7116.9149.2-73.8160.8000120.1
514T31.6Very low31.6Very low140 Ų140132.7 Ų132.786%0.85978%0.779SS**  -158.3144.4121.9-77.30000110.5
515V28.3Very low31.2Very low127 Ų127135.5 Ų135.577%0.7779%0.785SS**  trans-86.5126.1-176.4173.10000111.1
516I32.7Very low31.1Very low166 Ų166133.6 Ų133.685%0.85178%0.777SS**  trans-138.6125.1149.1-60.4-175.5000107.7
517G30.8Very low31Very low67 Ų67137.1 Ų137.169%0.69179%0.786SS**  trans-94.7158.5178.300000113.1
518S34.2Very low31.2Very low128 Ų128135.9 Ų135.990%0.89578%0.778SS**  trans-149.1140.5151.752.80000108.4
519G30.5Very low31.4Very low76 Ų76137 Ų13778%0.78478%0.778SS**  trans-93.3173.4-159.500000115.4
520R37Very low31.7Very low239 Ų239135.8 Ų135.890%0.90278%0.783SS**  trans-139.7151.5155.6-94.1176.5-172.3-157.2-0.3109.5
521P31.2Very low31.7Very low118 Ų118134.6 Ų134.677%0.76678%0.782SS**  trans-80.2145.9-157.631.1-36.1000113.4
522V30.9Very low31.8Very low137 Ų137137.6 Ų137.683%0.8378%0.784SS**  trans-93.4109.3172.7-167.30000108.4
523N31.5Very low31.7Very low148 Ų148138.5 Ų138.579%0.79179%0.788SS**  trans-150.7146.5166.1-91.7-35.3000107.8
524Q31.1Very low31.9Very low195 Ų195138 Ų13891%0.91178%0.781SS**SBendtrans7261.9-174.4-51.4-177.42.700116.2
525M28.4Very low31.9Very low161 Ų161137.4 Ų137.479%0.79377%0.772SS**  trans-150.664.4154.8-155.2157.7-169.800112.6
526S29.5Very low32Very low89 Ų89138 Ų13862%0.62276%0.764SS**SBendtrans-120.8-16.9177.143.70000114.8
527D31.7Very low32.1Very low151 Ų151133.3 Ų133.381%0.80775%0.75SS**SBendtrans-110.320.8-168.1-58-63.3000114.8
528L33.4Very low32.1Very low124 Ų124135.6 Ų135.665%0.64975%0.751SS**SBendtrans-118.815.8-179.1-82.2166.5000114.3
529I33.2Very low31.9Very low146 Ų146134.2 Ų134.275%0.74973%0.733SS**SBendtrans-107.1-6.5-175.3-64.8177.2000113.1
530S34.8Very low32.1Very low113 Ų113138.6 Ų138.679%0.7974%0.738SS**SBendtrans-89.7-17.3172.1-85.50000115.2
531D30.7Very low32Very low138 Ų138135.9 Ų135.974%0.73874%0.736SS**THydrogen-bonded Turntrans-91.44.4-169.4-100.6-11.1000115.8
532Q33Very low32Very low168 Ų168137.6 Ų137.679%0.78574%0.738SS**THydrogen-bonded Turntrans-104.4-0179.7-88.3-166.7-0.200116.1
533V33.4Very low31.9Very low125 Ų125134.9 Ų134.976%0.75872%0.719SS**G310 helixtrans-81.4-19.4177.9-176.90000112.5L535V533-L535 PolarHBondContact O-N 3.42Å
534H32.4Very low32.1Very low143 Ų143134.7 Ų134.766%0.66272%0.717SS**G310 helixtrans-90.47.1-172.3-104.2-65.2000116.6E356E356-H534 IonicContact OE2-CE1 3.63Å; E356-H534 IonicContact OE2-ND1 3.88Å
535L32Very low32.2Very low126 Ų126129.8 Ų129.866%0.6671%0.71SS**G310 helixtrans-96.58.3-174.5-105.3168.8000115.8V533V533-L535 PolarHBondContact O-N 3.42Å
536F28.9Very low32.5Very low140 Ų140127.9 Ų127.961%0.61470%0.703SS**SBendtrans-113.710.5-172-102.7-86.1000117.1W801F536-W801 HydrophobicContact CD1-CZ3 4.31Å; F536-W801 HydrophobicContact CD2-CH2 4.41Å; F536-W801 HydrophobicContact CD2-CZ3 4.07Å; F536-W801 AromaticContact CE1-CE3 3.97Å; F536-W801 HydrophobicContact CE1-CE3 3.97Å; F536-W801 AromaticContact CE1-CZ3 3.61Å; F536-W801 HydrophobicContact CE1-CZ3 3.61Å; F536-W801 HydrophobicContact CE2-CE3 4.36Å; F536-W801 AromaticContact CE2-CH2 3.58Å; F536-W801 HydrophobicContact CE2-CH2 3.58Å; F536-W801 AromaticContact CE2-CZ3 3.34Å; F536-W801 HydrophobicContact CE2-CZ3 3.34Å; F536-W801 AromaticContact CZ-CE3 3.69Å; F536-W801 HydrophobicContact CZ-CE3 3.69Å; F536-W801 AromaticContact CZ-CH2 3.72Å; F536-W801 HydrophobicContact CZ-CH2 3.72Å; F536-W801 AromaticContact CZ-CZ3 3.08Å; F536-W801 HydrophobicContact CZ-CZ3 3.08Å
537A34.9Very low32.6Very low67 Ų67127.8 Ų127.855%0.55469%0.691SS**SBendtrans-93.3-21.4173.800000113.9L539A537-L539 PolarHBondContact O-N 2.73Å
538T30.6Very low32.7Very low115 Ų115128.7 Ų128.771%0.70669%0.691SS**THydrogen-bonded Turntrans-95.676-175.341.30000112.8
539L30.2Very low32.7Very low99 Ų99127.2 Ų127.252%0.51869%0.691SS.*THydrogen-bonded Turntrans-152.914.2155.2-110.1172.4000114.8A537 Q541A537-L539 PolarHBondContact O-N 2.73Å; L539-Q541 VanDerWaalsContact C-N 3.34Å; L539-Q541 PolarHBondContact O-N 3.45Å
540N35.5Very low32.6Very low168 Ų168129.6 Ų129.690%0.89869%0.692SS**THydrogen-bonded Turntrans-9240.2173.6-86.9-9.7000113
541Q33.8Very low32.3Very low182 Ų182131.8 Ų131.885%0.8569%0.687SS**THydrogen-bonded Turntrans-154.425.5176.3-130159.213.100118.3L539L539-Q541 VanDerWaalsContact C-N 3.34Å; L539-Q541 PolarHBondContact O-N 3.45Å
542L31.5Very low32.1Very low154 Ų154130.9 Ų130.981%0.80669%0.691SS**SBendtrans-142.5111.9151.5-68.992.8000103.8
543D29.5Very low31.8Very low81 Ų81128.2 Ų128.243%0.43369%0.691SS.*SBend-166.239.957.5-169.919.2000111.7A545D543-A545 VanDerWaalsContact C-N 3.33Å; D543-A545 PolarHBondContact O-N 2.98Å
544L34.6Very low31.6Very low143 Ų143129.8 Ų129.875%0.74969%0.694SS**THydrogen-bonded Turntrans-75.7-15.9-168.6-163.958.8000114.6
545A35.2Very low31.4Very low92 Ų92130.9 Ų130.976%0.7670%0.704SS**THydrogen-bonded Turntrans-85.7-16.1-17900000114.5D543D543-A545 VanDerWaalsContact C-N 3.33Å; D543-A545 PolarHBondContact O-N 2.98Å
546N34.4Very low31.3Very low121 Ų121128.9 Ų128.965%0.64771%0.705SS**THydrogen-bonded Turntrans-103.6-12.4178.5-74.4-33.7000113.9
547F30Very low31.4Very low88 Ų88128.3 Ų128.339%0.38672%0.716SS.*SBendtrans-87.6-13.9178.4-97.4-85.3000114.4S549 F788F547-S549 VanDerWaalsContact C-N 3.29Å; F547-S549 PolarHBondContact O-N 3.27Å; F547-F788 AromaticContact CE1-CD2 3.91Å; F547-F788 HydrophobicContact CE1-CD2 3.91Å; F547-F788 HydrophobicContact CE1-CE2 4.06Å; F547-F788 HydrophobicContact CZ-CD2 4.38Å
548Q34.3Very low31.3Very low170 Ų170132.8 Ų132.879%0.79473%0.73SS**THydrogen-bonded Turntrans-81.2-0.8-171.1-131.3167.3-4.700114.8
549S33.5Very low31.3Very low92 Ų92132.7 Ų132.764%0.64373%0.731SS**THydrogen-bonded Turntrans-109.65.6-179.370.40000115.6F547F547-S549 VanDerWaalsContact C-N 3.29Å; F547-S549 PolarHBondContact O-N 3.27Å
550Y30.8Very low31.4Very low197 Ų197135.2 Ų135.277%0.77375%0.745SS**SBendtrans-126.18.8-170.3-81.4-75.9000116.4
551F28.9Very low31.3Very low159 Ų159132.7 Ų132.770%0.69774%0.735SS**  trans-118.646.7178.6-98.6-79.5000113.6F788F551-F788 HydrophobicContact CE2-CE2 4.13Å; F551-F788 HydrophobicContact CE2-CZ 4.2Å; F551-F788 HydrophobicContact CZ-CE2 4.46Å; F551-F788 HydrophobicContact CZ-CZ 4.08Å
552S27.1Very low31.2Very low118 Ų118131.5 Ų131.583%0.82574%0.735SS**SBendtrans-137.759.1174.9-63.20000112.2
553S27.1Very low31.4Very low112 Ų112129.1 Ų129.178%0.78373%0.729SS**  trans-164.3154.4163.1-81.40000109.4
554I28.1Very low31.3Very low158 Ų158133 Ų13381%0.8175%0.749SS**  trans75.871.2174.6-42.2168.5000115.2
555L28.9Very low31Very low167 Ų167131 Ų13187%0.87475%0.753SS**  -172.1123.4110.1-13066000111.8
556A29.2Very low30.8Very low83 Ų83132.9 Ų132.969%0.68676%0.755SS**  trans-102.4162.3160.900000109
557P30.9Very low30.3Very low128 Ų128130.2 Ų130.283%0.83176%0.756SS**  -141.3173114.530.2-12.1000115.3
558L32.5Very low30.2Very low162 Ų162133.7 Ų133.785%0.84878%0.775SS**  trans-79.5161.1-160.1-84.571.4000116.1
559P31.3Very low30Very low113 Ų113133.2 Ų133.273%0.73477%0.773SS**  trans-90.2168.5173.438.5-36.3000113.2
560N33.1Very low29.6Very low152 Ų152133.1 Ų133.181%0.81377%0.772SS**  trans-153116.5149.3-106-16.6000112.7
561T32.3Very low29.5Very low114 Ų114132 Ų13270%0.69978%0.778SS**  trans37.5113.8144610000120.4
562N31.6Very low29.6Very low157 Ų157127.4 Ų127.484%0.8478%0.775SS**  57.3152.674.3-837.6000116
563P36.8Very low29.7Very low105 Ų105131.2 Ų131.268%0.68278%0.78SS**  cis-140.8-177.1-0.935.1-13.3000117.1
564L27.7Very low30.1Very low162 Ų162130.9 Ų130.985%0.84878%0.775SS**  trans77.6115.4140.5-123.468.7000120.9
565A26.7Very low30.2Very low101 Ų101131.4 Ų131.484%0.83578%0.779SS**  trans-137.6107.3152.900000110.4
566T30.9Very low30.3Very low132 Ų132130 Ų13081%0.8177%0.772SS**  trans-84.8129.9142.446.30000105.5
567G25.3Very low30.4Very low64 Ų64133.2 Ų133.266%0.6678%0.776SS**  cis102.212744.400000108
568M28.5Very low30.5Very low161 Ų161131.8 Ų131.879%0.79377%0.767SS**  trans99.4131178.4-57.5-73.985.500118.7
569H29.3Very low30.3Very low160 Ų160131.8 Ų131.874%0.74176%0.763SS**  trans51.6113.5147.6-72.6-62.9000119.5
570S25.7Very low30.1Very low90 Ų90132.2 Ų132.263%0.62976%0.757SS**  99.9143.865-78.60000111.9
571I27.9Very low29.8Very low174 Ų174128.9 Ų128.989%0.89275%0.751SS**  trans79.6125163.8-58.2145.3000117
572G30.1Very low29.6Very low63 Ų63131.5 Ų131.565%0.64976%0.76SS**  109.371.3125.700000120.1
573Q30.4Very low29.7Very low198 Ų198130 Ų13093%0.92576%0.756SS**  48160.2129.2-82.6-166.3-4000123.2
574P34.9Very low29.5Very low105 Ų105131 Ų13168%0.68276%0.763SS**  trans-113164-152.241.8-34000115.3
575L31.5Very low29.5Very low168 Ų168126.1 Ų126.188%0.8875%0.752SS**  trans-147.1124.7157.3-75.6-178.7000113.6
576N29.1Very low29.6Very low138 Ų138129.1 Ų129.174%0.73875%0.753SS**  trans34.7109.1152.5-72.8-10.2000123.2
577I32.5Very low29.5Very low150 Ų150130.2 Ų130.277%0.76975%0.752SS**  44.7137.988.7-61.2172.8000116.7
578P33.2Very low29.5Very low99 Ų99131.2 Ų131.264%0.64376%0.763SS**  cis-130.116123.217.28.6000119.2
579E27.1Very low29.4Very low162 Ų162128.3 Ų128.376%0.75776%0.757SS**  trans42.1133.4137.9-63179.1102.300122
580I27.3Very low29.4Very low121 Ų121130.9 Ų130.962%0.62176%0.762SS**  cis-145.1148.1-0.7-94.9148.4000109.2
581A27.2Very low29.8Very low83 Ų83131.8 Ų131.869%0.68677%0.766SS**  trans-67.3140-178.700000113.4
582L28.4Very low30Very low168 Ų168129.6 Ų129.688%0.8876%0.761SS**  87.9129.355.5-73.5172.4000116.3
583T34Very low30.2Very low125 Ų125132.2 Ų132.277%0.76777%0.766SS**  trans-58.5162.3172.9-7.90000113.5
584P32.3Very low30.3Very low126 Ų126129.8 Ų129.882%0.81877%0.765SS**  -141.6159.877.730.4-9000114.1
585G28.2Very low30.2Very low60 Ų60129.3 Ų129.362%0.61977%0.77SS**  92.4101.866.900000109.6
586I28.3Very low30.2Very low165 Ų165126.2 Ų126.285%0.84677%0.769SS**SBend56.7118.491.7-66.4179.9000114
587L27.7Very low30.2Very low154 Ų154123.8 Ų123.881%0.80677%0.768SS**  trans53.5106162.7-10459.7000118.4C589L587-C589 PolarHBondContact O-N 2.91Å
588G25.6Very low30.4Very low86 Ų86124.5 Ų124.589%0.88777%0.772SS**  trans-75.6119.716700000112.3
589C27.8Very low30.7Very low99 Ų99125 Ų12567%0.66978%0.776SS**  trans-132.4136.9172.6-82.10000110.2L587L587-C589 PolarHBondContact O-N 2.91Å
590Y28Very low30.9Very low215 Ų215124.2 Ų124.284%0.84378%0.775SS**  trans22.9138.9159.4-57.4-82.2000122.2
591P33.5Very low31.2Very low109 Ų109124.7 Ų124.771%0.70878%0.783SS**  trans-114.9126.313633.7-25.6000112
592T33Very low31.5Very low127 Ų127124.4 Ų124.478%0.77979%0.789SS**PPolyproline II helixtrans-78.8156.9170.632.20000112.8
593P33.3Very low32.1Very low118 Ų118121.6 Ų121.677%0.76678%0.783SS**PPolyproline II helixtrans-85.7151.4-179.235.2-35.1000113
594T32.5Very low32.4Very low147 Ų147120.5 Ų120.590%0.90278%0.778SS**PPolyproline II helixtrans-87.8123.1165.3-550000109.7
595A33Very low32.3Very low95 Ų95120.9 Ų120.979%0.78577%0.773SS**PPolyproline II helixtrans-94.4149.1175.600000112.1
596A31.6Very low32.5Very low103 Ų103124.4 Ų124.485%0.85178%0.778SS**  trans-153.8139.9147.600000107.6
597A30.6Very low32.7Very low88 Ų88127.9 Ų127.973%0.72778%0.782SS**  cis-169.2127.8-20.100000105.2
598L36.7Very low32.6Very low164 Ų164129.4 Ų129.486%0.85979%0.787SS**  trans-8.7151.2138.7-67.7174.5000116.1
599P38.1Very low32.9Very low110 Ų110134.7 Ų134.771%0.71479%0.786SS**  -154.4147.281.439.8-19.4000120.5
600I32.2Very low33.2Very low146 Ų146135 Ų13575%0.74979%0.79SS**  71.1106.9128.9-67.1171.9000117.2
601V33.1Very low33.5Very low130 Ų130130 Ų13079%0.78879%0.786SS**  86.7121.467.91630000113.7
602G33.5Very low33.8Very low78 Ų78130.1 Ų130.180%0.80479%0.787SS**  trans-152.9116.516900000111.1
603S40.5Very low33.9Very low108 Ų108128.2 Ų128.276%0.75578%0.784SS**  trans-98.4-159.4-177.3-57.90000110.6
604P40Very low33.8Very low103 Ų103126.9 Ų126.967%0.66978%0.783SS**  -133.4-171.1-7439.3-22.9000114.1
605N32.1Very low33.7Very low133 Ų133127.7 Ų127.771%0.71178%0.781SS**  trans77.1134.4146.8-67.4-17.3000122.6
606N30.6Very low33.6Very low135 Ų135131.6 Ų131.672%0.72279%0.788SS**  trans55.198.9139.1-62.4-10.8000120.9
607Y32.5Very low33.6Very low238 Ų238135.7 Ų135.793%0.93379%0.786SS**  trans-149.2103.6131.2-84.1-70.8000111.8
608M26.8Very low33.7Very low185 Ų185138.6 Ų138.691%0.91179%0.788SS**  trans-140.3108.7147.5-94.8-152.176.400108.5
609F32Very low33.3Very low197 Ų197135.4 Ų135.486%0.86478%0.78SS**  trans-147.2149.3169.6-123.2-85.1000108.8
610S34.1Very low33.1Very low106 Ų106137 Ų13774%0.74178%0.782SS**  trans66.6120.5-176.363.20000116.8
611S34Very low33Very low110 Ų110140 Ų14077%0.76978%0.784SS**  cis86.3143.727.9-166.30000113.1
612P39.9Very low33.1Very low112 Ų112140.8 Ų140.873%0.72778%0.783SS**  cis-143.5-171.9-16.231.7-8.9000116.5
613A33.7Very low33.1Very low87 Ų87142 Ų14272%0.71978%0.777SS**  101129.6125.800000120.8
614A32.4Very low32.7Very low89 Ų89144.6 Ų144.674%0.73678%0.777SS**  trans61126.215600000116.2
615L29.8Very low32.2Very low164 Ų164145.9 Ų145.986%0.85978%0.778SS**  -160.9131.556.2-82.4162.5000110.4
616L30.7Very low32.2Very low178 Ų178147.6 Ų147.693%0.93278%0.782SS**  trans-16184150.8-111.5176.2000109.6
617K32.6Very low32.2Very low188 Ų188148.9 Ų148.982%0.81778%0.781SS**  trans-156.8132.7157.8-120.9-176.9179.9176.10111.8
618I32.2Very low32.1Very low149 Ų149143.2 Ų143.276%0.76477%0.772SS**  trans77.6113.3156.2-59.2156.5000116.1
619S29.1Very low32.2Very low98 Ų98139.6 Ų139.669%0.68576%0.76SS**  trans-37.9138.4159.3-43.20000113.9
620N32.6Very low32Very low143 Ų143135 Ų13577%0.76575%0.753SS**  -172.6135.6103.2-95.5-32.5000113.6
621R31.7Very low31.7Very low210 Ų210134.6 Ų134.679%0.79275%0.75SS**  trans56.1124140.4-76.4-174165.7-130.9-2.2121.7
622L34.1Very low31.5Very low146 Ų146133.8 Ų133.876%0.76474%0.744SS**  trans90.4144.4137-96.968.8000118.3
623P33.7Very low30.9Very low104 Ų104135.2 Ų135.268%0.67575%0.746SS**  trans-118.3-154.7-16828.5-3000110.9
624E32.1Very low30.7Very low161 Ų161135.8 Ų135.875%0.75274%0.744SS**  trans93.6113.7155.8-66179.3170.400118.5
625D30.1Very low30.7Very low130 Ų130139.8 Ų139.870%0.69575%0.752SS**  trans86.8148.8130.3-65.1-4.6000122.1
626Q32.4Very low30.8Very low169 Ų169134.7 Ų134.779%0.7974%0.74SS**  trans74.1135.1161.5-43.2-151.439.800114
627F30.1Very low30.9Very low162 Ų162133.7 Ų133.771%0.71174%0.735SS**  cis165.6151.3-7.4-122.1-68.6000101.8
628T29.5Very low31Very low120 Ų120131.4 Ų131.474%0.73673%0.73SS**  trans59.3170.7153.9620000118.1
629T29.3Very low31.1Very low109 Ų109130.3 Ų130.367%0.66973%0.73SS**  cis-164.5145.4-4035.70000106
630S27.1Very low31.4Very low101 Ų101130.8 Ų130.871%0.70673%0.729SS**  trans57.8155.6138.275.10000123.2
631S29.2Very low31.4Very low97 Ų97130 Ų13068%0.67873%0.725SS**  trans84.496.4141.9-55.80000120.4
632S28.9Very low31.6Very low93 Ų93127.1 Ų127.165%0.6572%0.72SS**  53.3136.911372.90000122.6
633N28.4Very low31.4Very low142 Ų142124.4 Ų124.476%0.75971%0.714SS**  trans77.7108.7139.1-62.7-6.6000121.2
634S29.6Very low31.5Very low98 Ų98125.9 Ų125.969%0.68572%0.716SS**  86.3152.3115.878.80000121.3
635L31.6Very low31.5Very low173 Ų173125.4 Ų125.491%0.90672%0.716SS**  trans62.8137.1-179.7-69.589000115.5
636G32.9Very low31.6Very low58 Ų58124.2 Ų124.260%0.59872%0.716SS**  cis176.9175.9-3.700000110.5
637D32.9Very low31.6Very low156 Ų156123.2 Ų123.283%0.83472%0.715SS**  trans66.8139160.6-59.1-21.8000117.2
638I34Very low31.7Very low140 Ų140121.7 Ų121.772%0.71871%0.714SS**  cis-160.9139.415.7-123.2160.3000108.9
639V33.6Very low31.7Very low127 Ų127121.8 Ų121.877%0.7771%0.71SS**  trans56.5130.5136169.40000118.7
640V35.8Very low31.7Very low108 Ų108123.5 Ų123.566%0.65572%0.715SS**  cis-169.8152.810.5102.60000112.3
641N33.5Very low32Very low127 Ų127123 Ų12368%0.67971%0.711SS**  trans55.6151.6151.1-65.61.3000123.4
642Q34.3Very low32.2Very low148 Ų148124.3 Ų124.369%0.69271%0.711SS**  cis-173.8131.8-20.6179.5156.61700109.5
643S31.4Very low32.4Very low90 Ų90127 Ų12763%0.62972%0.718SS**  trans54.5168.4151.984.40000119.1
644D34.9Very low32.7Very low134 Ų134124.8 Ų124.872%0.71772%0.719SS**  cis-149.2132.47-99-51.8000107.5
645M32.9Very low32.8Very low152 Ų152125.2 Ų125.275%0.74972%0.722SS**  81.3144.184.1-79.1-76.2-72.800117.5
646C32.2Very low33.1Very low104 Ų104121.5 Ų121.570%0.70371%0.708SS**  trans71.8120.8168.8-52.40000117.4
647I31.4Very low33.1Very low149 Ų149125 Ų12576%0.76471%0.713SS**  cis87126.932-56.1177000115.7
648N31.6Very low33.1Very low130 Ų130123.5 Ų123.570%0.69571%0.705SS**  trans90.3105.8156-93.81.7000122.9
649N30.7Very low33.1Very low121 Ų121123 Ų12365%0.64770%0.703SS**  58.1127.9109.6-70.63.4000122
650N29.3Very low32.9Very low145 Ų145121.7 Ų121.778%0.77570%0.7SS**  trans65.8138.4144.7-59.5-8.1000115.3
651S32.3Very low32.8Very low90 Ų90123 Ų12363%0.62970%0.702SS**  cis-169.6174.325-1480000110.9
652N34.7Very low32.7Very low125 Ų125121.6 Ų121.667%0.66870%0.701SS**  trans78.7112.2147.8-57.7-14.3000120.1
653N31.9Very low32.4Very low151 Ų151121 Ų12181%0.80770%0.702SS**  84.5144.7122.8-60.7-10.6000122
654A36.3Very low32.4Very low94 Ų94123.9 Ų123.978%0.77771%0.711SS**  trans74.383.4150.400000120
655S30.3Very low32.5Very low107 Ų107122.6 Ų122.675%0.74871%0.712SS**  0.1156.7108.6-164.50000118.4
656P38.7Very low32.6Very low95 Ų95122.7 Ų122.762%0.61772%0.715SS**  cis-128-133.4-45.239.4-22.5000108.6
657N33.5Very low32.8Very low131 Ų131122.5 Ų122.570%0.70171%0.712SS**  trans81.3144.1173.1-53-42.1000114.6
658N31.4Very low32.8Very low126 Ų126122.2 Ų122.267%0.67471%0.711SS**  cis-174.1170.7-17.3-125.2-44.2000109.2
659L34.3Very low32.8Very low128 Ų128123 Ų12367%0.6772%0.715SS**  trans60.4122.6166.9-7970.7000115.7I661L659-I661 HydrophobicContact CD2-CD1 4.18Å
660S29.4Very low33Very low100 Ų100121.2 Ų121.270%0.69971%0.712SS**  cis72.215749.789.40000115
661I34Very low33.3Very low135 Ų135120.8 Ų120.869%0.69271%0.71SS**  trans116.298.1165.5-63.9164.8000116.5L659L659-I661 HydrophobicContact CD2-CD1 4.18Å
662C31.6Very low33.5Very low99 Ų99122.5 Ų122.567%0.66971%0.712SS**  trans75.3117.3134.7-64.40000123.2
663N28Very low33.4Very low134 Ų134121.8 Ų121.872%0.71771%0.708SS**  29.6124.6107.2-51.6-12.1000117.8
664N32.1Very low33.6Very low151 Ų151124 Ų12481%0.80771%0.707SS**  179.2147.1108-91.4-22.1000114.8
665S36.1Very low33.6Very low107 Ų107125.1 Ų125.175%0.74870%0.704SS**  trans77.1121.7146.4-59.20000123.2
666L35.4Very low33.7Very low154 Ų154125 Ų12581%0.80670%0.703SS**  trans-38.2-179.8143.9-7183.8000115.4
667P36.8Very low33.3Very low100 Ų100127.5 Ų127.565%0.64971%0.71SS**  cis-138.8172.13.515.912.5000118.1
668I31.2Very low33.3Very low143 Ų143125.7 Ų125.773%0.73371%0.708SS**  31.8121.8129.5-47.2159000118.6
669D31.8Very low33.8Very low147 Ų147126 Ų12679%0.78671%0.714SS**  -171.3160101-127.1-36.8000117.4
670S34.9Very low34Very low83 Ų83124.9 Ų124.958%0.5872%0.715SS**  trans-64.9161.6-176-41.60000116.5
671N34.1Very low34.3Very low136 Ų136127 Ų12773%0.72772%0.717SS**  170.9136.1116.3-89.9-38.1000117.1
672N36.7Very low34.5Very low127 Ų127127.5 Ų127.568%0.67972%0.721SS**  trans66.8127.7133.8-64.3-12.6000120.8
673N34Very low34.8Very low109 Ų109128 Ų12858%0.58372%0.723SS**  -174.8147.652.3-103.5-25.1000115
674Y35.9Very low35.1Very low198 Ų198128.8 Ų128.878%0.77673%0.726SS**  trans53145143.8-54.5-42.4000121.7
675T35.4Very low35.4Very low118 Ų118130.2 Ų130.272%0.72473%0.725SS**  cis-167.3141.72.612.70000111.8
676S32Very low35.2Very low103 Ų103129.8 Ų129.872%0.7272%0.722SS**  trans44.8149.614173.70000122.6
677L31.2Very low35.2Very low148 Ų148129.5 Ų129.578%0.77572%0.72SS**  cis-167.1152.919.9-159.668.1000112
678S33.5Very low34.9Very low93 Ų93136.4 Ų136.465%0.6573%0.733SS**  trans55140.2148530000121.1
679T41.7Very low35Very low132 Ų132132.5 Ų132.581%0.8173%0.727SS**  cis-164.417212.77.80000109.5
680P37.3Very low35Very low105 Ų105133 Ų13368%0.68273%0.73SS**  -131.3-154.6-128.635-10.5000115.8
681I37.1Very low35Very low145 Ų145137.1 Ų137.174%0.74474%0.74SS**  trans92125.7165.3-53155.7000115
682D37.8Very low34.8Very low146 Ų146138.2 Ų138.278%0.78175%0.745SS**  cis-157164.8-18.4-106.9-17.6000111.2
683P37.6Very low34.6Very low110 Ų110139.3 Ų139.371%0.71476%0.757SS**  trans-122.3158.8-163.741.2-29.5000116.4
684I35.1Very low34.4Very low150 Ų150138.4 Ų138.477%0.76976%0.764SS**  trans-139.4117.7164.7-63.8-172.6000113.3
685K38Very low34.2Very low181 Ų181134.2 Ų134.279%0.78776%0.764SS**  trans59.8112.8157.8-64.1166.9-173.6176.20118.2
686S31.6Very low34.1Very low98 Ų98136.5 Ų136.569%0.68577%0.771SS**  68.8130.551.691.20000112
687I36.6Very low34.2Very low147 Ų147139.7 Ų139.775%0.75478%0.779SS**  cis-153.3126.442.3-84.4144000107.5
688R30.1Very low34.1Very low246 Ų246136.5 Ų136.593%0.92878%0.782SS**  57.810779.3-86.7-165.7-177-1743116.8
689G31.7Very low34.6Very low60 Ų60139.9 Ų139.962%0.61979%0.792SS**  trans164.7112.8157.900000111.3
690L32.9Very low34.3Very low159 Ų159139.7 Ų139.783%0.83279%0.793SS**  68.2118.580.2-69.4161.2000110
691Q35.9Very low33.9Very low169 Ų169139.4 Ų139.479%0.7979%0.794SS**  cis-154.8159.712.8-53-174.2-1.300112.8
692N28.6Very low33.8Very low159 Ų159140 Ų14085%0.8580%0.798SS**  trans-28.5121.9166.5-49.6-29.2000118
693T33.3Very low33.7Very low150 Ų150137.8 Ų137.892%0.9279%0.793SS**  trans-141.8147.9130.745.80000108.8
694A29.9Very low33.3Very low89 Ų89139.8 Ų139.874%0.73680%0.796SS**  trans-108.3164.2-164.300000113.6
695S31.2Very low33Very low110 Ų110139.4 Ų139.477%0.76980%0.796SS**  trans64.593.8150-54.30000118.7
696L32.4Very low32.6Very low167 Ų167136.6 Ų136.687%0.87479%0.794SS**  -168.4154.1127.3-12469.5000108.5
697L34.7Very low32.6Very low169 Ų169138.3 Ų138.389%0.88579%0.794SS**SBendtrans76.686.4-173.2-52168.2000114.6L699L697-L699 PolarHBondContact O-N 2.98Å
698G30.3Very low32.4Very low82 Ų82138 Ų13885%0.84579%0.793SS**  trans-78.396.8179.800000113.7
699L43.4Very low32.4Very low163 Ų163133.6 Ų133.685%0.85379%0.788SS**  trans-110.9118.5160.5-70.2175.5000109.3L697 S701L697-L699 PolarHBondContact O-N 2.98Å; L699-S701 PolarHBondContact O-N 3.32Å; L699-S701 VanDerWaalsContact O-N 3.17Å
700P34.9Very low32.3Very low129 Ų129134.4 Ų134.484%0.83878%0.783SS**  trans-76.498.4161.931.2-29.4000108.3
701S29.5Very low32.4Very low99 Ų99134.9 Ų134.969%0.69278%0.781SS**  trans-67.9150.3141.5630000107.9L699L699-S701 PolarHBondContact O-N 3.32Å; L699-S701 VanDerWaalsContact O-N 3.17Å
702L35.3Very low32.4Very low158 Ų158135.9 Ų135.983%0.82779%0.785SS**  trans173.3131.9130.4-91.2163.5000111.7
703S33.9Very low32.5Very low98 Ų98136.4 Ų136.469%0.68578%0.783SS**  trans69.490.2139.8-53.70000120.3
704I29.9Very low32.4Very low153 Ų153137 Ų13779%0.78578%0.78SS**  trans-46.9159.7134.6-63.5157.8000110.9
705N29.4Very low32.7Very low141 Ų141138.2 Ų138.275%0.75478%0.783SS**  trans88.1114.6-174.7-51.6-40.9000110.9
706T29.6Very low32.8Very low122 Ų122140.4 Ų140.475%0.74879%0.785SS**  158.1146.761.2-101.20000104.4
707I31.6Very low32.8Very low134 Ų134141.6 Ų141.669%0.68778%0.784SS**  cis-161.8155.2-0.9-121.1177.7000108.7
708L31.2Very low32.6Very low142 Ų142137.6 Ų137.674%0.74377%0.77SS**  trans33.8119.2161.7-77.166.6000121
709N30.5Very low32.8Very low152 Ų152140.7 Ų140.781%0.81377%0.767SS**  -144.1110.7116.5-1649.4000110.4Q711N709-Q711 PolarHBondContact O-N 3.41Å
710P31Very low32.4Very low78 Ų78137 Ų13751%0.50676%0.759SS.*  trans-97.153.3-16238.8-37.7000114.3
711Q34.3Very low32.3Very low169 Ų169138.6 Ų138.679%0.7976%0.761SS**SBendtrans-144.544.4179.2-78-62-78.300114.6N709N709-Q711 PolarHBondContact O-N 3.41Å
712Q35.7Very low32.8Very low189 Ų189139 Ų13988%0.88376%0.759SS**  trans-162.439.5158.5-116166.312.900113.6N714Q712-N714 VanDerWaalsContact C-N 3.3Å; Q712-N714 PolarHBondContact O-N 3.02Å
713Q30.3Very low33.4Very low171 Ų171140.5 Ų140.580%0.79976%0.762SS**  trans-77.378.8170.3-72175.9-37.700110.2
714N31.6Very low34.3Very low162 Ų162142.5 Ų142.587%0.86676%0.76SS**SBendtrans-160.573.6171.5-96.7-25.9000111.2Q712Q712-N714 VanDerWaalsContact C-N 3.3Å; Q712-N714 PolarHBondContact O-N 3.02Å
715S35.8Very low36.2Very low115 Ų115139.5 Ų139.580%0.80475%0.753SS**SBendtrans178.7-17.5161.353.30000114.4
716L33.9Very low38.8Very low155 Ų155138.9 Ų138.981%0.81275%0.748SS**SBendtrans-1129.4-171-94.4163.4000116
717F31.2Very low41.6Very low192 Ų192135.6 Ų135.684%0.84273%0.726SS**  trans-129.796.3170.6-86.7-90.7000110.3
718S31.9Very low44.4Very low85 Ų85133.3 Ų133.359%0.59472%0.718SS**  trans-12636164.4-167.90000110.3T722S718-T722 PolarHBondContact OG-OG1 3.07Å
719L34.1Very low47.3Very low148 Ų148130.7 Ų130.778%0.77570%0.698SS**  trans-86.3129.7163.4-7786.1000107.8
720A34.5Very low50.2Low85 Ų85128.6 Ų128.670%0.70268%0.684SS**SBendtrans71.3112.2-171.700000115.5
721N32.9Very low53Low163 Ų163126 Ų12687%0.87267%0.665SS**  trans75.373.9162.9-50.9-20.7000117.9
722T40.2Very low55.7Low106 Ų106123.8 Ų123.865%0.6566%0.657SS**  trans-137.7141.4151.929.60000108.6S718S718-T722 PolarHBondContact OG-OG1 3.07Å
723E47.4Very low58.3Low190 Ų190115.3 Ų115.389%0.88862%0.618SS**  trans-52.7134.2-165-60.4171.4158.900113.2S725E723-S725 VanDerWaalsContact C-N 3.27Å; E723-S725 PolarHBondContact O-N 3.02Å
724E54Low61.2Low140 Ų140109 Ų10965%0.65459%0.593SS**  trans-69.382.9178.1-66.3-161.9158.300110.7I726 K779E724-I726 PolarHBondContact O-N 3.3Å; E724-K779 WeakPolarHBondContact OE1-CE 3.4Å; E724-K779 IonicContact OE1-NZ 2.59Å; E724-K779 PolarHBondContact OE1-NZ 2.95Å; E724-K779 WeakPolarHBondContact OE2-CE 3.37Å; E724-K779 IonicContact OE2-NZ 2.94Å; E724-K779 PolarHBondContact OE2-NZ 3.46Å
725S69.5Low63.8Low91 Ų91103.1 Ų103.164%0.63656%0.561SS**  trans-61.6107.8178.163.90000110E723 I727E723-S725 VanDerWaalsContact C-N 3.27Å; E723-S725 PolarHBondContact O-N 3.02Å; S725-I727 PolarHBondContact O-N 2.93Å; S725-I727 VanDerWaalsContact O-N 3.12Å
726I83.4Confident66.3Low127 Ų127104.5 Ų104.565%0.65156%0.56SS**  trans-66.2111.2174.8-59.8172.7000107.7E724E724-I726 PolarHBondContact O-N 3.3Å
727I88.5Confident69Low54 Ų5498 Ų9828%0.27753%0.527SS..EExtended strand (participates in β ladder)trans-83.7134.9176.1-61-180000108S725 S777 G778 L780S725-I727 PolarHBondContact O-N 2.93Å; S725-I727 VanDerWaalsContact O-N 3.12Å; I727-S777 CarbonylContact O-C 3.58Å; I727-S777 VanDerWaalsContact O-CA 3.28Å; I727-S777 WeakPolarHBondContact O-CA 3.43Å; I727-G778 PolarHBondContact N-O 3.11Å; I727-G778 PolarHBondContact O-N 3.37Å; I727-L780 HydrophobicContact CD1-CB 3.78Å; I727-L780 HydrophobicContact CD1-CD1 3.77Å; I727-L780 HydrophobicContact CD1-CG 4.26Å
728V91Very high71.8Confident85 Ų8589.2 Ų89.252%0.51549%0.488SS..EExtended strand (participates in β ladder)trans-114.2123.6174-172.40000108.4T775 V776V728-T775 HydrophobicContact CG1-CG2 3.46Å; V728-T775 VanDerWaalsContact CG1-CG2 3.46Å; V728-V776 WeakPolarHBondContact CA-O 3.48Å
729R92Very high74.5Confident87 Ų8787.4 Ų87.433%0.32848%0.483SS..EExtended strand (participates in β ladder)trans-119.8138.6173.3179.7169.7-78.7141.63.1110.1V776 V783 N784R729-V776 PolarHBondContact N-O 3.28Å; R729-V776 PolarHBondContact O-N 3.05Å; R729-V783 HydrophobicContact CB-CG1 3.71Å; R729-N784 PolarHBondContact NH1-OD1 2.82Å
730E91.1Very high77.1Confident109 Ų10981.4 Ų81.451%0.50945%0.453SS..EExtended strand (participates in β ladder)trans-113.6138.6-177.8-53.3-171132.900110.1K773 I774E730-K773 WeakPolarHBondContact OE1-CE 3.44Å; E730-K773 IonicContact OE1-NZ 2.76Å; E730-K773 PolarHBondContact OE1-NZ 3.41Å; E730-K773 WeakPolarHBondContact OE2-CE 3.37Å; E730-K773 IonicContact OE2-NZ 2.72Å; E730-K773 PolarHBondContact OE2-NZ 3.32Å; E730-I774 CarbonylContact C-O 3.59Å; E730-I774 WeakPolarHBondContact CA-O 3.49Å
731M90.5Very high79.9Confident23 Ų2377.3 Ų77.311%0.11342%0.419CS..EExtended strand (participates in β ladder)trans-131.7135.4-179.8-60.6173.769.100108.8K773 I774 Q787 I790 N791M731-K773 CarbonylContact O-C 3.59Å; M731-K773 WeakPolarHBondContact O-CA 3.5Å; M731-I774 HydrophobicContact CB-CB 4.48Å; M731-I774 PolarHBondContact N-O 3.5Å; M731-I774 PolarHBondContact O-N 3.34Å; M731-Q787 HydrophobicContact CE-CG 3.99Å; M731-Q787 HydrophobicContact SD-CB 4.28Å; M731-Q787 HydrophobicContact SD-CG 3.93Å; M731-I790 HydrophobicContact CE-CB 4.38Å; M731-I790 HydrophobicContact CE-CG2 3.81Å; M731-I790 HydrophobicContact SD-CD1 4.3Å; M731-I790 HydrophobicContact SD-CG2 4.46Å; M731-N791 VanDerWaalsContact CE-OD1 3.27Å; M731-N791 WeakPolarHBondContact CE-OD1 3.4Å
732I91.2Very high82.7Confident122 Ų12271.9 Ų71.963%0.62639%0.39SS*.EExtended strand (participates in β ladder)trans-105.2129177.4-58.5173.9000108.2E771I732-E771 HydrophobicContact CG2-CB 3.82Å; I732-E771 HydrophobicContact CG2-CG 4.45Å; I732-E771 VanDerWaalsContact CG2-OE2 3.3Å; I732-E771 WeakPolarHBondContact CG2-OE2 3.46Å
733I90.4Very high85.1Confident11 Ų1167.7 Ų67.76%0.05637%0.368CS..EExtended strand (participates in β ladder)trans-140.3131.5-170.5-57-173.8000110.2V737 I738 I741 E771 R772 I774 I790 I794I733-V737 HydrophobicContact CG2-CG2 3.46Å; I733-V737 VanDerWaalsContact CG2-CG2 3.46Å; I733-I738 HydrophobicContact CG2-CD1 4.43Å; I733-I741 HydrophobicContact CD1-CD1 3.58Å; I733-I741 HydrophobicContact CG2-CD1 3.94Å; I733-E771 CarbonylContact O-C 3.57Å; I733-E771 WeakPolarHBondContact O-CA 3.33Å; I733-R772 PolarHBondContact N-O 3.29Å; I733-R772 PolarHBondContact O-N 3.32Å; I733-I774 HydrophobicContact CD1-CD1 3.6Å; I733-I774 HydrophobicContact CD1-CG1 4.1Å; I733-I790 HydrophobicContact CD1-CG2 3.84Å; I733-I794 HydrophobicContact CD1-CD1 4.04Å
734S89.4Confident87Confident39 Ų3965.3 Ų65.327%0.27335%0.351SS..EExtended strand (participates in β ladder)trans-62.8145179.7-39.10000112.8D736 V737 I738S734-D736 PolarHBondContact O-N 3.31Å; S734-D736 VanDerWaalsContact O-N 3.14Å; S734-V737 PolarHBondContact O-N 3.23Å; S734-I738 PolarHBondContact O-N 3.49Å
735N87.1Confident88.7Confident39 Ų3962.7 Ų62.721%0.20936%0.361CS..Hα-helixtrans-57.8-27.6178.2-85.4-83.5000113.2V737 I738 A769 K770 E771 R772N735-V737 VanDerWaalsContact C-N 3.25Å; N735-V737 PolarHBondContact O-N 3.25Å; N735-I738 WeakPolarHBondContact O-CG2 3.36Å; N735-A769 PolarHBondContact ND2-O 3.12Å; N735-K770 PolarHBondContact N-O 2.84Å; N735-K770 PolarHBondContact ND2-O 2.79Å; N735-E771 PolarHBondContact ND2-N 3.11Å; N735-R772 PolarHBondContact OD1-NE 3.45Å; N735-R772 PolarHBondContact OD1-NH2 3.46Å
736D88Confident89.7Confident144 Ų14459 Ų5977%0.7734%0.337SS*.Hα-helixtrans-67.5-24.7-178.4-51.7-46.3000113.2S734S734-D736 PolarHBondContact O-N 3.31Å; S734-D736 VanDerWaalsContact O-N 3.14Å
737V90.5Very high90.2Very high19 Ų1956.3 Ų56.312%0.11533%0.327CS..Hα-helixtrans-111.6-11.3179.7-58.30000113.7I733 S734 N735 G739 C740I733-V737 HydrophobicContact CG2-CG2 3.46Å; I733-V737 VanDerWaalsContact CG2-CG2 3.46Å; S734-V737 PolarHBondContact O-N 3.23Å; N735-V737 VanDerWaalsContact C-N 3.25Å; N735-V737 PolarHBondContact O-N 3.25Å; V737-G739 PolarHBondContact O-N 2.84Å; V737-G739 VanDerWaalsContact O-N 3.11Å; V737-C740 PolarHBondContact O-N 3.35Å; V737-C740 VanDerWaalsContact O-N 3.11Å; V737-C740 PolarHBondContact O-SG 3.39Å
738I90.6Very high90.4Very high7 Ų755.6 Ų55.64%0.03633%0.325CS..Hα-helixtrans-59.1-28.7178.8-159.862.1000112.5I733 S734 N735 C740 I741 I742 I762 I774I733-I738 HydrophobicContact CG2-CD1 4.43Å; S734-I738 PolarHBondContact O-N 3.49Å; N735-I738 WeakPolarHBondContact O-CG2 3.36Å; I738-C740 VanDerWaalsContact C-N 3.33Å; I738-C740 PolarHBondContact O-N 3.35Å; I738-I741 HydrophobicContact CD1-CD1 4.19Å; I738-I741 PolarHBondContact O-N 2.77Å; I738-I742 HydrophobicContact CG1-CD1 3.98Å; I738-I742 HydrophobicContact CG1-CG1 4.45Å; I738-I742 WeakPolarHBondContact O-CG1 3.45Å; I738-I742 PolarHBondContact O-N 2.98Å; I738-I742 VanDerWaalsContact O-N 3.07Å; I738-I762 HydrophobicContact CD1-CG2 4.17Å; I738-I762 HydrophobicContact CG1-CG2 4.39Å; I738-I774 HydrophobicContact CD1-CD1 3.76Å; I738-I774 HydrophobicContact CD1-CG1 4.18Å
739G89.4Confident90.6Very high47 Ų4751.8 Ų51.849%0.48530%0.302SS..Hα-helixtrans-62.8-32177.700000114.4V737 G743V737-G739 PolarHBondContact O-N 2.84Å; V737-G739 VanDerWaalsContact O-N 3.11Å; G739-G743 PolarHBondContact O-N 3.11Å
740C88.6Confident90.7Very high21 Ų2151.7 Ų51.714%0.14231%0.307CS..Hα-helixtrans-77.4-29178.779.30000112.5V737 I738 S793 H797V737-C740 PolarHBondContact O-N 3.35Å; V737-C740 VanDerWaalsContact O-N 3.11Å; V737-C740 PolarHBondContact O-SG 3.39Å; I738-C740 VanDerWaalsContact C-N 3.33Å; I738-C740 PolarHBondContact O-N 3.35Å; C740-S793 PolarHBondContact O-OG 3.26Å; C740-H797 HydrophobicContact CB-CB 3.64Å; C740-H797 VanDerWaalsContact CB-CD2 3.49Å; C740-H797 WeakPolarHBondContact CB-CD2 3.24Å; C740-H797 VanDerWaalsContact CB-CG 3.45Å; C740-H797 VanDerWaalsContact SG-CB 3.52Å
741I92.9Very high90.8Very high0 Ų052.3 Ų52.30%031%0.31CS..Hα-helixtrans-74.3-40.1175.8-58.5163.5000110.2I733 I738 T748 I749 I752 I774 I790 I794I733-I741 HydrophobicContact CD1-CD1 3.58Å; I733-I741 HydrophobicContact CG2-CD1 3.94Å; I738-I741 HydrophobicContact CD1-CD1 4.19Å; I738-I741 PolarHBondContact O-N 2.77Å; I741-T748 CarbonylContact O-C 3.59Å; I741-I749 HydrophobicContact CG2-CD1 4.4Å; I741-I749 WeakPolarHBondContact O-CA 3.43Å; I741-I749 WeakPolarHBondContact O-CB 3.35Å; I741-I749 PolarHBondContact O-N 3.17Å; I741-I749 VanDerWaalsContact O-N 3.09Å; I741-I752 HydrophobicContact CG2-CD1 4.45Å; I741-I774 HydrophobicContact CD1-CD1 4.28Å; I741-I774 HydrophobicContact CG2-CD1 4.29Å; I741-I790 HydrophobicContact CD1-CG2 4.04Å; I741-I790 HydrophobicContact CG1-CG2 4.5Å; I741-I790 HydrophobicContact CG2-CG1 4.35Å; I741-I794 HydrophobicContact CD1-CD1 3.99Å; I741-I794 HydrophobicContact CD1-CG1 3.84Å; I741-I794 HydrophobicContact CG1-CG1 4.09Å
742I92.1Very high91Very high49 Ų4951.7 Ų51.725%0.25131%0.307SS..Hα-helixtrans-71.1-47.3176.7-63.8170.3000110.6I738 G746 T748 I749 I762I738-I742 HydrophobicContact CG1-CD1 3.98Å; I738-I742 HydrophobicContact CG1-CG1 4.45Å; I738-I742 WeakPolarHBondContact O-CG1 3.45Å; I738-I742 PolarHBondContact O-N 2.98Å; I738-I742 VanDerWaalsContact O-N 3.07Å; I742-G746 CarbonylContact O-C 3.21Å; I742-G746 WeakPolarHBondContact O-CA 3.26Å; I742-T748 PolarHBondContact O-N 2.9Å; I742-I749 HydrophobicContact CG2-CG2 4.35Å; I742-I749 PolarHBondContact O-N 3.14Å; I742-I762 HydrophobicContact CD1-CD1 4.26Å; I742-I762 HydrophobicContact CG1-CD1 3.77Å
743G89.5Confident91.2Very high18 Ų1850.3 Ų50.319%0.18629%0.294CS..  trans76.7167.3-173.700000113.4G739 G745 G746 T748G739-G743 PolarHBondContact O-N 3.11Å; G743-G745 PolarHBondContact O-N 2.91Å; G743-G745 VanDerWaalsContact O-N 3.08Å; G743-G746 PolarHBondContact O-N 3.43Å; G743-G746 VanDerWaalsContact O-N 3.13Å; G743-T748 WeakPolarHBondContact CA-OG1 3.38Å
744R88.5Confident91.4Very high140 Ų14056.1 Ų56.153%0.52833%0.325SS..G310 helixtrans-65.7111.2179.2-70-173.2178.71683.1109.8G746 T747 Y920R744-G746 VanDerWaalsContact C-N 3.34Å; R744-T747 PolarHBondContact O-OG1 3.37Å; R744-Y920 HydrophobicContact CG-CE1 4.49Å; R744-Y920 VanDerWaalsContact NH1-CD1 3.34Å; R744-Y920 PolarHBondContact NH2-OXT 2.81Å
745G89.3Confident91.6Very high85 Ų8557 Ų5788%0.87634%0.335SS*.G310 helixtrans76.415.4-177.400000114.9G743G743-G745 PolarHBondContact O-N 2.91Å; G743-G745 VanDerWaalsContact O-N 3.08Å
746G90.8Very high92Very high12 Ų1255.2 Ų55.212%0.12433%0.326CS..G310 helixtrans80.911.7179.300000114.9I742 G743 R744 I749 N750I742-G746 CarbonylContact O-C 3.21Å; I742-G746 WeakPolarHBondContact O-CA 3.26Å; G743-G746 PolarHBondContact O-N 3.43Å; G743-G746 VanDerWaalsContact O-N 3.13Å; R744-G746 VanDerWaalsContact C-N 3.34Å; G746-I749 VanDerWaalsContact O-CG2 3.23Å; G746-I749 WeakPolarHBondContact O-CG2 3.4Å; G746-N750 WeakPolarHBondContact O-CB 3.33Å; G746-N750 PolarHBondContact O-N 3.39Å; G746-N750 VanDerWaalsContact O-N 3.08Å; G746-N750 PolarHBondContact O-ND2 3.12Å
747T93.2Very high92.2Very high72 Ų7256.9 Ų56.944%0.44233%0.326SS..Hα-helixtrans-58.1-52.6-178.650.30000111.9R744 I749 N750 E751R744-T747 PolarHBondContact O-OG1 3.37Å; T747-I749 PolarHBondContact O-N 3.22Å; T747-N750 PolarHBondContact O-N 2.91Å; T747-N750 VanDerWaalsContact O-N 3.11Å; T747-E751 WeakPolarHBondContact O-CG 3.39Å; T747-E751 PolarHBondContact O-N 3.23Å
748T93.2Very high92.3Very high38 Ų3856.2 Ų56.223%0.23332%0.323CS..Hα-helixtrans-63.8-43.1-175.9-480000112I741 I742 G743 N750 E751 I752I741-T748 CarbonylContact O-C 3.59Å; I742-T748 PolarHBondContact O-N 2.9Å; G743-T748 WeakPolarHBondContact CA-OG1 3.38Å; T748-N750 VanDerWaalsContact C-N 3.29Å; T748-N750 PolarHBondContact O-N 3.02Å; T748-E751 PolarHBondContact O-N 3.22Å; T748-I752 HydrophobicContact CG2-CD1 4.21Å; T748-I752 VanDerWaalsContact O-CG1 3.25Å; T748-I752 WeakPolarHBondContact O-CG1 3.32Å; T748-I752 PolarHBondContact O-N 2.9Å
749I94Very high92.4Very high6 Ų662.5 Ų62.53%0.03135%0.352CS..Hα-helixtrans-67.1-31.7175.7-174.660.5000112.2I741 I742 G746 T747 R753 I760 I762I741-I749 HydrophobicContact CG2-CD1 4.4Å; I741-I749 WeakPolarHBondContact O-CA 3.43Å; I741-I749 WeakPolarHBondContact O-CB 3.35Å; I741-I749 PolarHBondContact O-N 3.17Å; I741-I749 VanDerWaalsContact O-N 3.09Å; I742-I749 HydrophobicContact CG2-CG2 4.35Å; I742-I749 PolarHBondContact O-N 3.14Å; G746-I749 VanDerWaalsContact O-CG2 3.23Å; G746-I749 WeakPolarHBondContact O-CG2 3.4Å; T747-I749 PolarHBondContact O-N 3.22Å; I749-R753 WeakPolarHBondContact O-CB 3.14Å; I749-R753 VanDerWaalsContact O-CG 3.23Å; I749-R753 WeakPolarHBondContact O-CG 3.45Å; I749-R753 PolarHBondContact O-N 3.38Å; I749-I760 HydrophobicContact CD1-CB 4.27Å; I749-I760 HydrophobicContact CD1-CD1 4.31Å; I749-I760 HydrophobicContact CD1-CG2 3.82Å; I749-I762 HydrophobicContact CD1-CD1 4.24Å; I749-I762 HydrophobicContact CG1-CD1 4.18Å
750N93.9Very high92.6Very high84 Ų8460.6 Ų60.645%0.44933%0.331SS..Hα-helixtrans-72.9-36.8176-70.6-15.9000112G746 T747 T748 R753 N754G746-N750 WeakPolarHBondContact O-CB 3.33Å; G746-N750 PolarHBondContact O-N 3.39Å; G746-N750 VanDerWaalsContact O-N 3.08Å; G746-N750 PolarHBondContact O-ND2 3.12Å; T747-N750 PolarHBondContact O-N 2.91Å; T747-N750 VanDerWaalsContact O-N 3.11Å; T748-N750 VanDerWaalsContact C-N 3.29Å; T748-N750 PolarHBondContact O-N 3.02Å; N750-R753 PolarHBondContact O-N 2.89Å; N750-R753 PolarHBondContact OD1-NH1 3.47Å; N750-N754 VanDerWaalsContact O-CB 3.32Å; N750-N754 WeakPolarHBondContact O-CB 2.98Å; N750-N754 PolarHBondContact O-N 2.91Å
751E94.2Very high92.8Very high122 Ų12266.9 Ų66.957%0.5736%0.356SS*.Hα-helixtrans-61.2-47.2169.7-73.4164.9-159.600111.3T747 T748 R753 N754 A755T747-E751 WeakPolarHBondContact O-CG 3.39Å; T747-E751 PolarHBondContact O-N 3.23Å; T748-E751 PolarHBondContact O-N 3.22Å; E751-R753 PolarHBondContact O-N 3.36Å; E751-N754 PolarHBondContact O-N 2.84Å; E751-A755 WeakPolarHBondContact O-CB 3.38Å; E751-A755 PolarHBondContact O-N 2.74Å
752I94.7Very high92.8Very high11 Ų1168.4 Ų68.46%0.05636%0.363CS..Hα-helixtrans-62-42.7177.8-64.6168.3000111.1I741 T748 S756 I760 L789 I790I741-I752 HydrophobicContact CG2-CD1 4.45Å; T748-I752 HydrophobicContact CG2-CD1 4.21Å; T748-I752 VanDerWaalsContact O-CG1 3.25Å; T748-I752 WeakPolarHBondContact O-CG1 3.32Å; T748-I752 PolarHBondContact O-N 2.9Å; I752-S756 VanDerWaalsContact O-CB 3.28Å; I752-S756 WeakPolarHBondContact O-CB 3.27Å; I752-S756 PolarHBondContact O-N 2.94Å; I752-S756 PolarHBondContact O-OG 3.45Å; I752-I760 HydrophobicContact CG2-CD1 3.6Å; I752-L789 HydrophobicContact CG1-CB 4.16Å; I752-L789 HydrophobicContact CG2-CB 3.93Å; I752-L789 HydrophobicContact CG2-CD1 4.22Å; I752-I790 HydrophobicContact CG2-CG1 4.33Å
753R94.8Very high92.5Very high92 Ų9268.2 Ų68.235%0.34737%0.366SS..Hα-helixtrans-61.2-44.1174-75.7168177.4150.6-3112I749 N750 E751 K757 I760I749-R753 WeakPolarHBondContact O-CB 3.14Å; I749-R753 VanDerWaalsContact O-CG 3.23Å; I749-R753 WeakPolarHBondContact O-CG 3.45Å; I749-R753 PolarHBondContact O-N 3.38Å; N750-R753 PolarHBondContact O-N 2.89Å; N750-R753 PolarHBondContact OD1-NH1 3.47Å; E751-R753 PolarHBondContact O-N 3.36Å; R753-K757 WeakPolarHBondContact O-CA 3.05Å; R753-K757 PolarHBondContact O-N 2.89Å; R753-I760 HydrophobicContact CG-CB 4.07Å; R753-I760 HydrophobicContact CG-CD1 4.03Å; R753-I760 HydrophobicContact CG-CG1 4.19Å; R753-I760 PolarHBondContact NE-O 3.3Å; R753-I760 PolarHBondContact NH2-O 3.48Å
754N94.9Very high92.2Very high133 Ų13374.3 Ų74.371%0.71140%0.395SS*.Hα-helixtrans-67.3-41.8180-171.745.7000112.3N750 E751N750-N754 VanDerWaalsContact O-CB 3.32Å; N750-N754 WeakPolarHBondContact O-CB 2.98Å; N750-N754 PolarHBondContact O-N 2.91Å; E751-N754 PolarHBondContact O-N 2.84Å
755A94.4Very high91.4Very high57 Ų5769.9 Ų69.947%0.47139%0.385SS..Hα-helixtrans-70.2-46.1179.100000112.5E751 L789E751-A755 WeakPolarHBondContact O-CB 3.38Å; E751-A755 PolarHBondContact O-N 2.74Å; A755-L789 HydrophobicContact CB-CD1 3.8Å
756S94.5Very high90.8Very high3 Ų373.4 Ų73.42%0.02138%0.379CS..Hα-helixtrans-76.9-28-17962.30000114.1I752 A758 S782I752-S756 VanDerWaalsContact O-CB 3.28Å; I752-S756 WeakPolarHBondContact O-CB 3.27Å; I752-S756 PolarHBondContact O-N 2.94Å; I752-S756 PolarHBondContact O-OG 3.45Å; S756-A758 PolarHBondContact O-N 3.38Å; S756-A758 VanDerWaalsContact O-N 3.15Å; S756-A758 PolarHBondContact OG-N 2.94Å; S756-S782 WeakPolarHBondContact O-CA 3.36Å; S756-S782 WeakPolarHBondContact O-CB 3.46Å; S756-S782 PolarHBondContact O-OG 3.32Å
757K92.6Very high89.7Confident178 Ų17881.3 Ų81.377%0.77442%0.418SS*.  trans5715.6-165.9-53.2177.3-177.51750113.6R753R753-K757 WeakPolarHBondContact O-CA 3.05Å; R753-K757 PolarHBondContact O-N 2.89Å
758A91.7Very high88.8Confident6 Ų681.6 Ų81.65%0.0544%0.435CS..  trans-85.3147.4173.500000111S756 I760 V776 A786S756-A758 PolarHBondContact O-N 3.38Å; S756-A758 VanDerWaalsContact O-N 3.15Å; S756-A758 PolarHBondContact OG-N 2.94Å; A758-I760 HydrophobicContact CB-CG1 4.32Å; A758-I760 PolarHBondContact O-N 2.87Å; A758-V776 HydrophobicContact CB-CG1 3.88Å; A758-A786 HydrophobicContact CB-CB 3.88Å
759Q93Very high88Confident139 Ų13981.6 Ų81.665%0.6544%0.439SS*.EExtended strand (participates in β ladder)trans-78.2107.6169.7176-176.345.700108.6S777Q759-S777 WeakPolarHBondContact CB-OG 3.49Å; Q759-S777 PolarHBondContact N-O 3.47Å; Q759-S777 PolarHBondContact O-N 2.91Å; Q759-S777 PolarHBondContact O-OG 2.99Å; Q759-S777 PolarHBondContact OE1-OG 2.76Å
760I94.6Very high87.6Confident6 Ų690 Ų903%0.03148%0.476CS..EExtended strand (participates in β ladder)trans-107.9111.4-178.8-52.4172000109.8I749 I752 R753 A758 I774 V776 A786I749-I760 HydrophobicContact CD1-CB 4.27Å; I749-I760 HydrophobicContact CD1-CD1 4.31Å; I749-I760 HydrophobicContact CD1-CG2 3.82Å; I752-I760 HydrophobicContact CG2-CD1 3.6Å; R753-I760 HydrophobicContact CG-CB 4.07Å; R753-I760 HydrophobicContact CG-CD1 4.03Å; R753-I760 HydrophobicContact CG-CG1 4.19Å; R753-I760 PolarHBondContact NE-O 3.3Å; R753-I760 PolarHBondContact NH2-O 3.48Å; A758-I760 HydrophobicContact CB-CG1 4.32Å; A758-I760 PolarHBondContact O-N 2.87Å; I760-I774 HydrophobicContact CG2-CG2 3.56Å; I760-V776 HydrophobicContact CG1-CG1 4.35Å; I760-V776 HydrophobicContact CG1-CG2 4.43Å; I760-V776 HydrophobicContact CG2-CG2 4.35Å; I760-A786 HydrophobicContact CD1-CB 3.9Å; I760-A786 HydrophobicContact CG1-CB 4.37Å
761K92.4Very high87.3Confident153 Ų15391 Ų9167%0.66548%0.477SS*.EExtended strand (participates in β ladder)trans-109.4121.2177.5-172.2177.5-178-178.10109.5T775K761-T775 PolarHBondContact N-O 3.44Å; K761-T775 PolarHBondContact O-N 2.96Å
762I91.9Very high87Confident32 Ų3288.3 Ų88.316%0.16446%0.462CS..EExtended strand (participates in β ladder)trans-97.2131.2175.3-55.9175.4000106.9I738 I742 I749 I774I738-I762 HydrophobicContact CD1-CG2 4.17Å; I738-I762 HydrophobicContact CG1-CG2 4.39Å; I742-I762 HydrophobicContact CD1-CD1 4.26Å; I742-I762 HydrophobicContact CG1-CD1 3.77Å; I749-I762 HydrophobicContact CD1-CD1 4.24Å; I749-I762 HydrophobicContact CG1-CD1 4.18Å; I762-I774 HydrophobicContact CD1-CD1 4.46Å; I762-I774 HydrophobicContact CG1-CD1 4.2Å; I762-I774 HydrophobicContact CG1-CG1 4.18Å; I762-I774 HydrophobicContact CG1-CG2 4.4Å; I762-I774 HydrophobicContact CG2-CG1 4.43Å
763S86.4Confident86.8Confident45 Ų4591.6 Ų91.632%0.31548%0.476SS..PPolyproline II helixtrans-65.8149.9173.775.50000110.4K773S763-K773 WeakPolarHBondContact CB-O 3.49Å; S763-K773 PolarHBondContact N-O 3Å; S763-K773 PolarHBondContact OG-N 3.17Å; S763-K773 PolarHBondContact OG-O 3.47Å
764N83.2Confident86.7Confident146 Ų14687.2 Ų87.278%0.78146%0.459SS*.PPolyproline II helixtrans-61.4158.8163.7-72.8-4.2000109.3E766N764-E766 PolarHBondContact O-N 2.95Å
765C70.9Confident86.6Confident47 Ų4782.4 Ų82.432%0.31844%0.435SS..PPolyproline II helixtrans-71.6126.5166.2-151.60000107.4
766E76.7Confident86.7Confident160 Ų16079.8 Ų79.875%0.74841%0.413SS*.PPolyproline II helixtrans-73.2141.7159.5-67.8175.6171.500107.7N764 G768 A769N764-E766 PolarHBondContact O-N 2.95Å; E766-G768 PolarHBondContact O-N 2.63Å; E766-A769 HydrophobicContact CB-CB 4.24Å; E766-A769 WeakPolarHBondContact O-CB 3.35Å; E766-A769 PolarHBondContact O-N 2.72Å
767D69.4Low86.6Confident177 Ų17780.2 Ų80.295%0.94742%0.416SS*.THydrogen-bonded Turntrans-63.4109.5-172.4-74.3-47.9000111.1
768G72.9Confident86.6Confident79 Ų7972.5 Ų72.581%0.81439%0.387SS*.THydrogen-bonded Turntrans101.5-8.9-177.200000115.6E766 K770E766-G768 PolarHBondContact O-N 2.63Å; G768-K770 PolarHBondContact O-N 2.76Å
769A76.6Confident86.6Confident38 Ų3877.3 Ų77.331%0.31441%0.407SS..  trans-69.8127.2176.700000111.6N735 E766 E771N735-A769 PolarHBondContact ND2-O 3.12Å; E766-A769 HydrophobicContact CB-CB 4.24Å; E766-A769 WeakPolarHBondContact O-CB 3.35Å; E766-A769 PolarHBondContact O-N 2.72Å; A769-E771 VanDerWaalsContact C-N 3.26Å; A769-E771 PolarHBondContact O-N 2.99Å
770K85.1Confident86.5Confident182 Ų18274.7 Ų74.779%0.79140%0.397SS*.SBendtrans-75.1-13.5175.5-70.2-172.5178.7-177.90113.6N735 G768N735-K770 PolarHBondContact N-O 2.84Å; N735-K770 PolarHBondContact ND2-O 2.79Å; G768-K770 PolarHBondContact O-N 2.76Å
771E87.6Confident86.4Confident104 Ų10480.5 Ų80.549%0.48643%0.428SS..EExtended strand (participates in β ladder)trans-130.9156.3-174.4-51.9-172.313900111.3I732 I733 N735 A769I732-E771 HydrophobicContact CG2-CB 3.82Å; I732-E771 HydrophobicContact CG2-CG 4.45Å; I732-E771 VanDerWaalsContact CG2-OE2 3.3Å; I732-E771 WeakPolarHBondContact CG2-OE2 3.46Å; I733-E771 CarbonylContact O-C 3.57Å; I733-E771 WeakPolarHBondContact O-CA 3.33Å; N735-E771 PolarHBondContact ND2-N 3.11Å; A769-E771 VanDerWaalsContact C-N 3.26Å; A769-E771 PolarHBondContact O-N 2.99Å
772R89.2Confident86.5Confident66 Ų6674.2 Ų74.225%0.24940%0.404CS..EExtended strand (participates in β ladder)trans-125.7154.3173.2-61.9-169.5-160.71746.8110.6I733 N735I733-R772 PolarHBondContact N-O 3.29Å; I733-R772 PolarHBondContact O-N 3.32Å; N735-R772 PolarHBondContact OD1-NE 3.45Å; N735-R772 PolarHBondContact OD1-NH2 3.46Å
773K89.7Confident86.7Confident80 Ų8072.8 Ų72.835%0.34840%0.396SS..EExtended strand (participates in β ladder)trans-99.9124.1-179.1-169.8175.9-176.5-177.60110E730 M731 S763E730-K773 WeakPolarHBondContact OE1-CE 3.44Å; E730-K773 IonicContact OE1-NZ 2.76Å; E730-K773 PolarHBondContact OE1-NZ 3.41Å; E730-K773 WeakPolarHBondContact OE2-CE 3.37Å; E730-K773 IonicContact OE2-NZ 2.72Å; E730-K773 PolarHBondContact OE2-NZ 3.32Å; M731-K773 CarbonylContact O-C 3.59Å; M731-K773 WeakPolarHBondContact O-CA 3.5Å; S763-K773 WeakPolarHBondContact CB-O 3.49Å; S763-K773 PolarHBondContact N-O 3Å; S763-K773 PolarHBondContact OG-N 3.17Å; S763-K773 PolarHBondContact OG-O 3.47Å
774I93Very high87Confident0 Ų073.8 Ų73.80%040%0.398CS..EExtended strand (participates in β ladder)trans-99.9126.8167.9-53.4-165.2000108.3E730 M731 I733 I738 I741 I760 I762 V776 I790E730-I774 CarbonylContact C-O 3.59Å; E730-I774 WeakPolarHBondContact CA-O 3.49Å; M731-I774 HydrophobicContact CB-CB 4.48Å; M731-I774 PolarHBondContact N-O 3.5Å; M731-I774 PolarHBondContact O-N 3.34Å; I733-I774 HydrophobicContact CD1-CD1 3.6Å; I733-I774 HydrophobicContact CD1-CG1 4.1Å; I738-I774 HydrophobicContact CD1-CD1 3.76Å; I738-I774 HydrophobicContact CD1-CG1 4.18Å; I741-I774 HydrophobicContact CD1-CD1 4.28Å; I741-I774 HydrophobicContact CG2-CD1 4.29Å; I760-I774 HydrophobicContact CG2-CG2 3.56Å; I762-I774 HydrophobicContact CD1-CD1 4.46Å; I762-I774 HydrophobicContact CG1-CD1 4.2Å; I762-I774 HydrophobicContact CG1-CG1 4.18Å; I762-I774 HydrophobicContact CG1-CG2 4.4Å; I762-I774 HydrophobicContact CG2-CG1 4.43Å; I774-V776 HydrophobicContact CG2-CG2 4.05Å; I774-I790 HydrophobicContact CG2-CD1 4.34Å
775T93.8Very high87.6Confident33 Ų3370.3 Ų70.320%0.20238%0.379CS..EExtended strand (participates in β ladder)trans-107.1121.9173.3-49.30000108.3V728 K761V728-T775 HydrophobicContact CG1-CG2 3.46Å; V728-T775 VanDerWaalsContact CG1-CG2 3.46Å; K761-T775 PolarHBondContact N-O 3.44Å; K761-T775 PolarHBondContact O-N 2.96Å
776V95Very high88.8Confident1 Ų168 Ų681%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-114.1114179.9-177.30000107.9V728 R729 A758 I760 I774 V783 A786 I790V728-V776 WeakPolarHBondContact CA-O 3.48Å; R729-V776 PolarHBondContact N-O 3.28Å; R729-V776 PolarHBondContact O-N 3.05Å; A758-V776 HydrophobicContact CB-CG1 3.88Å; I760-V776 HydrophobicContact CG1-CG1 4.35Å; I760-V776 HydrophobicContact CG1-CG2 4.43Å; I760-V776 HydrophobicContact CG2-CG2 4.35Å; I774-V776 HydrophobicContact CG2-CG2 4.05Å; V776-V783 HydrophobicContact CB-CG1 4.45Å; V776-V783 HydrophobicContact CG1-CB 4.25Å; V776-V783 HydrophobicContact CG1-CG1 4Å; V776-V783 HydrophobicContact CG1-CG2 4.2Å; V776-A786 HydrophobicContact CG1-CB 3.59Å; V776-I790 HydrophobicContact CG2-CD1 4.14Å
777S92.7Very high89.6Confident12 Ų1263 Ų638%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-118140.1-179.642.10000112.3I727 Q759I727-S777 CarbonylContact O-C 3.58Å; I727-S777 VanDerWaalsContact O-CA 3.28Å; I727-S777 WeakPolarHBondContact O-CA 3.43Å; Q759-S777 WeakPolarHBondContact CB-OG 3.49Å; Q759-S777 PolarHBondContact N-O 3.47Å; Q759-S777 PolarHBondContact O-N 2.91Å; Q759-S777 PolarHBondContact O-OG 2.99Å; Q759-S777 PolarHBondContact OE1-OG 2.76Å
778G92.2Very high90.8Very high16 Ų1658.2 Ų58.217%0.16531%0.311CS..EExtended strand (participates in β ladder)trans158.1-158.7176.500000114.1I727I727-G778 PolarHBondContact N-O 3.11Å; I727-G778 PolarHBondContact O-N 3.37Å
779K91.9Very high91.9Very high107 Ų10756.6 Ų56.647%0.46528%0.284SS..  trans-68.6153.3171.2-55.1-169.3-174.3-161.30110.2E724 D781 S782 V783E724-K779 WeakPolarHBondContact OE1-CE 3.4Å; E724-K779 IonicContact OE1-NZ 2.59Å; E724-K779 PolarHBondContact OE1-NZ 2.95Å; E724-K779 WeakPolarHBondContact OE2-CE 3.37Å; E724-K779 IonicContact OE2-NZ 2.94Å; E724-K779 PolarHBondContact OE2-NZ 3.46Å; K779-D781 VanDerWaalsContact C-N 3.3Å; K779-D781 PolarHBondContact O-N 3.02Å; K779-S782 WeakPolarHBondContact O-CB 3.17Å; K779-S782 PolarHBondContact O-N 2.82Å; K779-S782 VanDerWaalsContact O-N 3.07Å; K779-V783 WeakPolarHBondContact O-CG2 3.45Å; K779-V783 PolarHBondContact O-N 3.11Å
780L91.3Very high92.7Very high85 Ų8554.8 Ų54.845%0.44527%0.269SS..Hα-helixtrans-50.6-48.8-178-178.556.4000112.5I727 S782 V783 N784I727-L780 HydrophobicContact CD1-CB 3.78Å; I727-L780 HydrophobicContact CD1-CD1 3.77Å; I727-L780 HydrophobicContact CD1-CG 4.26Å; L780-S782 PolarHBondContact O-N 3.11Å; L780-V783 PolarHBondContact O-N 2.87Å; L780-N784 WeakPolarHBondContact CD1-ND2 3.39Å; L780-N784 WeakPolarHBondContact O-CB 3.44Å; L780-N784 VanDerWaalsContact O-CG 3.22Å; L780-N784 PolarHBondContact O-N 3.42Å; L780-N784 PolarHBondContact O-ND2 2.84Å
781D93.1Very high93.2Very high127 Ų12749 Ų4968%0.67925%0.246SC*.Hα-helixtrans-63.8-42.1-179.6-51.6-39.3000112K779 N784 L785K779-D781 VanDerWaalsContact C-N 3.3Å; K779-D781 PolarHBondContact O-N 3.02Å; D781-N784 PolarHBondContact O-N 3.42Å; D781-L785 VanDerWaalsContact O-CB 3.25Å; D781-L785 WeakPolarHBondContact O-CB 3.43Å; D781-L785 PolarHBondContact O-N 3.48Å
782S94.3Very high93.4Very high22 Ų2246.3 Ų46.315%0.15424%0.239CC..Hα-helixtrans-63-43.7175.5-71.60000112.4S756 K779 L780 A786S756-S782 WeakPolarHBondContact O-CA 3.36Å; S756-S782 WeakPolarHBondContact O-CB 3.46Å; S756-S782 PolarHBondContact O-OG 3.32Å; K779-S782 WeakPolarHBondContact O-CB 3.17Å; K779-S782 PolarHBondContact O-N 2.82Å; K779-S782 VanDerWaalsContact O-N 3.07Å; L780-S782 PolarHBondContact O-N 3.11Å; S782-A786 WeakPolarHBondContact O-CB 3.49Å; S782-A786 PolarHBondContact O-N 3.11Å
783V94.9Very high93.4Very high1 Ų144.1 Ų44.11%0.00623%0.234CC..Hα-helixtrans-66.6-43.2178.9173.80000110.8R729 V776 K779 L780 A786 Q787R729-V783 HydrophobicContact CB-CG1 3.71Å; V776-V783 HydrophobicContact CB-CG1 4.45Å; V776-V783 HydrophobicContact CG1-CB 4.25Å; V776-V783 HydrophobicContact CG1-CG1 4Å; V776-V783 HydrophobicContact CG1-CG2 4.2Å; K779-V783 WeakPolarHBondContact O-CG2 3.45Å; K779-V783 PolarHBondContact O-N 3.11Å; L780-V783 PolarHBondContact O-N 2.87Å; V783-A786 PolarHBondContact O-N 2.93Å; V783-Q787 WeakPolarHBondContact O-CB 3.38Å; V783-Q787 PolarHBondContact O-N 3.43Å
784N94.4Very high93.6Very high66 Ų6641.2 Ų41.235%0.35322%0.222SC..Hα-helixtrans-65.5-42.4177.1-69.1-21.6000111.6R729 L780 D781 Q787 F788R729-N784 PolarHBondContact NH1-OD1 2.82Å; L780-N784 WeakPolarHBondContact CD1-ND2 3.39Å; L780-N784 WeakPolarHBondContact O-CB 3.44Å; L780-N784 VanDerWaalsContact O-CG 3.22Å; L780-N784 PolarHBondContact O-N 3.42Å; L780-N784 PolarHBondContact O-ND2 2.84Å; D781-N784 PolarHBondContact O-N 3.42Å; N784-Q787 PolarHBondContact O-N 3.31Å; N784-F788 WeakPolarHBondContact O-CB 3.43Å; N784-F788 PolarHBondContact O-N 2.85Å
785L95.5Very high93.5Very high73 Ų7343.3 Ų43.338%0.38224%0.239SC..Hα-helixtrans-64.6-41.8175.8179.454.8000112D781 F788 L789D781-L785 VanDerWaalsContact O-CB 3.25Å; D781-L785 WeakPolarHBondContact O-CB 3.43Å; D781-L785 PolarHBondContact O-N 3.48Å; L785-F788 PolarHBondContact O-N 3.49Å; L785-L789 HydrophobicContact CD1-CD1 4.13Å; L785-L789 HydrophobicContact CD1-CG 4.18Å; L785-L789 HydrophobicContact CG-CD1 4.18Å; L785-L789 VanDerWaalsContact O-CG 3.29Å; L785-L789 WeakPolarHBondContact O-CG 3.47Å; L785-L789 PolarHBondContact O-N 3.39Å
786A95.2Very high93.2Very high0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-60.2-46173.400000112.1A758 I760 V776 S782 V783 F788 L789 I790A758-A786 HydrophobicContact CB-CB 3.88Å; I760-A786 HydrophobicContact CD1-CB 3.9Å; I760-A786 HydrophobicContact CG1-CB 4.37Å; V776-A786 HydrophobicContact CG1-CB 3.59Å; S782-A786 WeakPolarHBondContact O-CB 3.49Å; S782-A786 PolarHBondContact O-N 3.11Å; V783-A786 PolarHBondContact O-N 2.93Å; A786-F788 PolarHBondContact O-N 3.44Å; A786-L789 PolarHBondContact O-N 2.99Å; A786-I790 WeakPolarHBondContact O-CB 3.31Å; A786-I790 WeakPolarHBondContact O-CD1 3.32Å; A786-I790 VanDerWaalsContact O-CG1 3.24Å; A786-I790 WeakPolarHBondContact O-CG1 3.41Å; A786-I790 PolarHBondContact O-N 3.3Å
787Q93.9Very high92.9Very high54 Ų5449 Ų4925%0.25227%0.265SS..Hα-helixtrans-61.5-42.2177.5-179.3175.92.200112.1M731 V783 N784 I790 N791M731-Q787 HydrophobicContact CE-CG 3.99Å; M731-Q787 HydrophobicContact SD-CB 4.28Å; M731-Q787 HydrophobicContact SD-CG 3.93Å; V783-Q787 WeakPolarHBondContact O-CB 3.38Å; V783-Q787 PolarHBondContact O-N 3.43Å; N784-Q787 PolarHBondContact O-N 3.31Å; Q787-I790 PolarHBondContact O-N 3.48Å; Q787-N791 WeakPolarHBondContact O-CB 3.47Å; Q787-N791 PolarHBondContact O-N 2.88Å
788F95.3Very high92.7Very high77 Ų7753.6 Ų53.634%0.33828%0.281SS..Hα-helixtrans-60.1-49.5175175.3-102.8000112F547 F551 N784 L785 A786 I790 N791 S792F547-F788 AromaticContact CE1-CD2 3.91Å; F547-F788 HydrophobicContact CE1-CD2 3.91Å; F547-F788 HydrophobicContact CE1-CE2 4.06Å; F547-F788 HydrophobicContact CZ-CD2 4.38Å; F551-F788 HydrophobicContact CE2-CE2 4.13Å; F551-F788 HydrophobicContact CE2-CZ 4.2Å; F551-F788 HydrophobicContact CZ-CE2 4.46Å; F551-F788 HydrophobicContact CZ-CZ 4.08Å; N784-F788 WeakPolarHBondContact O-CB 3.43Å; N784-F788 PolarHBondContact O-N 2.85Å; L785-F788 PolarHBondContact O-N 3.49Å; A786-F788 PolarHBondContact O-N 3.44Å; F788-I790 PolarHBondContact O-N 3.01Å; F788-N791 PolarHBondContact O-N 3.3Å; F788-S792 WeakPolarHBondContact O-CB 3.49Å; F788-S792 PolarHBondContact O-N 2.84Å
789L94.6Very high92.5Very high45 Ų4559.5 Ų59.524%0.23630%0.304CS..Hα-helixtrans-64-39179.8-69171.2000112.6I752 A755 L785 A786 S792 S793I752-L789 HydrophobicContact CG1-CB 4.16Å; I752-L789 HydrophobicContact CG2-CB 3.93Å; I752-L789 HydrophobicContact CG2-CD1 4.22Å; A755-L789 HydrophobicContact CB-CD1 3.8Å; L785-L789 HydrophobicContact CD1-CD1 4.13Å; L785-L789 HydrophobicContact CD1-CG 4.18Å; L785-L789 HydrophobicContact CG-CD1 4.18Å; L785-L789 VanDerWaalsContact O-CG 3.29Å; L785-L789 WeakPolarHBondContact O-CG 3.47Å; L785-L789 PolarHBondContact O-N 3.39Å; A786-L789 PolarHBondContact O-N 2.99Å; L789-S792 PolarHBondContact O-N 2.8Å; L789-S793 WeakPolarHBondContact O-CB 3.42Å; L789-S793 PolarHBondContact O-N 3.47Å
790I94.9Very high92.2Very high0 Ų059.3 Ų59.30%031%0.306CS..Hα-helixtrans-62.3-49.4174.2-70.8165.1000110.5M731 I733 I741 I752 I774 V776 A786 Q787 F788 S792 S793 I794M731-I790 HydrophobicContact CE-CB 4.38Å; M731-I790 HydrophobicContact CE-CG2 3.81Å; M731-I790 HydrophobicContact SD-CD1 4.3Å; M731-I790 HydrophobicContact SD-CG2 4.46Å; I733-I790 HydrophobicContact CD1-CG2 3.84Å; I741-I790 HydrophobicContact CD1-CG2 4.04Å; I741-I790 HydrophobicContact CG1-CG2 4.5Å; I741-I790 HydrophobicContact CG2-CG1 4.35Å; I752-I790 HydrophobicContact CG2-CG1 4.33Å; I774-I790 HydrophobicContact CG2-CD1 4.34Å; V776-I790 HydrophobicContact CG2-CD1 4.14Å; A786-I790 WeakPolarHBondContact O-CB 3.31Å; A786-I790 WeakPolarHBondContact O-CD1 3.32Å; A786-I790 VanDerWaalsContact O-CG1 3.24Å; A786-I790 WeakPolarHBondContact O-CG1 3.41Å; A786-I790 PolarHBondContact O-N 3.3Å; Q787-I790 PolarHBondContact O-N 3.48Å; F788-I790 PolarHBondContact O-N 3.01Å; I790-S792 VanDerWaalsContact C-N 3.34Å; I790-S792 PolarHBondContact O-N 3.16Å; I790-S793 WeakPolarHBondContact O-CB 3.42Å; I790-S793 PolarHBondContact O-N 3.28Å; I790-I794 HydrophobicContact CG2-CD1 4.08Å; I790-I794 WeakPolarHBondContact O-CG1 3.28Å; I790-I794 PolarHBondContact O-N 2.99Å; I790-I794 VanDerWaalsContact O-N 3.16Å
791N94Very high91.9Very high60 Ų6060.8 Ų60.832%0.32131%0.306SS..Hα-helixtrans-62.9-40.3179.2-74.6-5000112.1M731 Q787 F788 I794 A795M731-N791 VanDerWaalsContact CE-OD1 3.27Å; M731-N791 WeakPolarHBondContact CE-OD1 3.4Å; Q787-N791 WeakPolarHBondContact O-CB 3.47Å; Q787-N791 PolarHBondContact O-N 2.88Å; F788-N791 PolarHBondContact O-N 3.3Å; N791-I794 PolarHBondContact O-N 3.46Å; N791-A795 PolarHBondContact O-N 2.95Å
792S92Very high91.5Very high47 Ų4755.7 Ų55.733%0.32928%0.282SS..Hα-helixtrans-62.4-41.5175.5-170.80000112.2F788 L789 I790 I794 A795 I796F788-S792 WeakPolarHBondContact O-CB 3.49Å; F788-S792 PolarHBondContact O-N 2.84Å; L789-S792 PolarHBondContact O-N 2.8Å; I790-S792 VanDerWaalsContact C-N 3.34Å; I790-S792 PolarHBondContact O-N 3.16Å; S792-I794 VanDerWaalsContact C-N 3.34Å; S792-I794 PolarHBondContact O-N 3.06Å; S792-A795 PolarHBondContact O-N 3.07Å; S792-I796 VanDerWaalsContact O-CG1 3.31Å; S792-I796 WeakPolarHBondContact O-CG1 3.48Å; S792-I796 PolarHBondContact O-N 2.92Å
793S90.8Very high91.1Very high21 Ų2160.6 Ų60.615%0.14730%0.3CS..Hα-helixtrans-60-42.8175.3175.70000112C740 L789 I790 H797C740-S793 PolarHBondContact O-OG 3.26Å; L789-S793 WeakPolarHBondContact O-CB 3.42Å; L789-S793 PolarHBondContact O-N 3.47Å; I790-S793 WeakPolarHBondContact O-CB 3.42Å; I790-S793 PolarHBondContact O-N 3.28Å; S793-H797 WeakPolarHBondContact O-CB 3.49Å; S793-H797 PolarHBondContact O-N 2.65Å
794I92.1Very high90.7Very high18 Ų1864.1 Ų64.19%0.09232%0.319CS..Hα-helixtrans-65.8-42.2177.9-61.1162.3000111.2I733 I741 I790 N791 S792 H797 R798I733-I794 HydrophobicContact CD1-CD1 4.04Å; I741-I794 HydrophobicContact CD1-CD1 3.99Å; I741-I794 HydrophobicContact CD1-CG1 3.84Å; I741-I794 HydrophobicContact CG1-CG1 4.09Å; I790-I794 HydrophobicContact CG2-CD1 4.08Å; I790-I794 WeakPolarHBondContact O-CG1 3.28Å; I790-I794 PolarHBondContact O-N 2.99Å; I790-I794 VanDerWaalsContact O-N 3.16Å; N791-I794 PolarHBondContact O-N 3.46Å; S792-I794 VanDerWaalsContact C-N 3.34Å; S792-I794 PolarHBondContact O-N 3.06Å; I794-H797 PolarHBondContact O-N 3.05Å; I794-R798 HydrophobicContact CG2-CG 4.47Å; I794-R798 WeakPolarHBondContact O-CB 3.47Å; I794-R798 WeakPolarHBondContact O-CG 3.29Å; I794-R798 PolarHBondContact O-N 3.37Å
795A91.1Very high90.5Very high45 Ų4564.2 Ų64.237%0.37232%0.322SS..Hα-helixtrans-61.4-53.5178.700000111.4N791 S792 H797 R798 E799N791-A795 PolarHBondContact O-N 2.95Å; S792-A795 PolarHBondContact O-N 3.07Å; A795-H797 VanDerWaalsContact C-N 3.3Å; A795-H797 PolarHBondContact O-N 3.32Å; A795-R798 PolarHBondContact O-N 3.49Å; A795-R798 VanDerWaalsContact O-N 3.11Å; A795-E799 PolarHBondContact O-N 3.4Å
796I88.6Confident90.2Very high100 Ų10069.6 Ų69.651%0.51334%0.337SS..Hα-helixtrans-57.8-43179-66164.9000111S792 E799 M800S792-I796 VanDerWaalsContact O-CG1 3.31Å; S792-I796 WeakPolarHBondContact O-CG1 3.48Å; S792-I796 PolarHBondContact O-N 2.92Å; I796-E799 PolarHBondContact O-N 3.31Å; I796-M800 WeakPolarHBondContact O-CB 3.35Å; I796-M800 PolarHBondContact O-N 3.07Å
797H88Confident89.7Confident52 Ų5274.2 Ų74.224%0.24136%0.362CS..Hα-helixtrans-65.9-39.9177.8-176.4-99.7000112.7C740 S793 I794 A795 W801C740-H797 HydrophobicContact CB-CB 3.64Å; C740-H797 VanDerWaalsContact CB-CD2 3.49Å; C740-H797 WeakPolarHBondContact CB-CD2 3.24Å; C740-H797 VanDerWaalsContact CB-CG 3.45Å; C740-H797 VanDerWaalsContact SG-CB 3.52Å; S793-H797 WeakPolarHBondContact O-CB 3.49Å; S793-H797 PolarHBondContact O-N 2.65Å; I794-H797 PolarHBondContact O-N 3.05Å; A795-H797 VanDerWaalsContact C-N 3.3Å; A795-H797 PolarHBondContact O-N 3.32Å; H797-W801 WeakPolarHBondContact O-CB 3.23Å; H797-W801 PolarHBondContact O-N 3.25Å
798R89.1Confident89.2Confident110 Ų11074.2 Ų74.242%0.41537%0.37SS..Hα-helixtrans-63.5-42.9176.5-78.2174.8171.7169.4-2.6112I794 A795 A802I794-R798 HydrophobicContact CG2-CG 4.47Å; I794-R798 WeakPolarHBondContact O-CB 3.47Å; I794-R798 WeakPolarHBondContact O-CG 3.29Å; I794-R798 PolarHBondContact O-N 3.37Å; A795-R798 PolarHBondContact O-N 3.49Å; A795-R798 VanDerWaalsContact O-N 3.11Å; R798-A802 WeakPolarHBondContact O-CB 3.49Å; R798-A802 PolarHBondContact O-N 3.34Å
799E87.8Confident88.7Confident140 Ų14074.2 Ų74.265%0.65438%0.38SS*.Hα-helixtrans-64.6-48.8176.4-70.5178.3176.600111.8A795 I796 W801 A802 F803A795-E799 PolarHBondContact O-N 3.4Å; I796-E799 PolarHBondContact O-N 3.31Å; E799-W801 VanDerWaalsContact C-N 3.34Å; E799-W801 PolarHBondContact O-N 3.12Å; E799-A802 PolarHBondContact O-N 2.87Å; E799-F803 WeakPolarHBondContact O-CB 3.39Å; E799-F803 PolarHBondContact O-N 2.99Å
800M85.2Confident88.1Confident103 Ų10374.5 Ų74.551%0.50739%0.389SS..Hα-helixtrans-63.2-39.2178.6-170.9-178.271.700112.1I796 F803 N804I796-M800 WeakPolarHBondContact O-CB 3.35Å; I796-M800 PolarHBondContact O-N 3.07Å; M800-F803 PolarHBondContact O-N 3.32Å; M800-N804 WeakPolarHBondContact O-CB 3.25Å; M800-N804 VanDerWaalsContact O-CG 3.31Å; M800-N804 PolarHBondContact O-N 2.9Å
801W85.4Confident87.4Confident115 Ų11576.2 Ų76.244%0.43640%0.403SS..Hα-helixtrans-64-46.7174.9-175.693.7000111.4F536 H797 E799 F803 N804 V805F536-W801 HydrophobicContact CD1-CZ3 4.31Å; F536-W801 HydrophobicContact CD2-CH2 4.41Å; F536-W801 HydrophobicContact CD2-CZ3 4.07Å; F536-W801 AromaticContact CE1-CE3 3.97Å; F536-W801 HydrophobicContact CE1-CE3 3.97Å; F536-W801 AromaticContact CE1-CZ3 3.61Å; F536-W801 HydrophobicContact CE1-CZ3 3.61Å; F536-W801 HydrophobicContact CE2-CE3 4.36Å; F536-W801 AromaticContact CE2-CH2 3.58Å; F536-W801 HydrophobicContact CE2-CH2 3.58Å; F536-W801 AromaticContact CE2-CZ3 3.34Å; F536-W801 HydrophobicContact CE2-CZ3 3.34Å; F536-W801 AromaticContact CZ-CE3 3.69Å; F536-W801 HydrophobicContact CZ-CE3 3.69Å; F536-W801 AromaticContact CZ-CH2 3.72Å; F536-W801 HydrophobicContact CZ-CH2 3.72Å; F536-W801 AromaticContact CZ-CZ3 3.08Å; F536-W801 HydrophobicContact CZ-CZ3 3.08Å; H797-W801 WeakPolarHBondContact O-CB 3.23Å; H797-W801 PolarHBondContact O-N 3.25Å; E799-W801 VanDerWaalsContact C-N 3.34Å; E799-W801 PolarHBondContact O-N 3.12Å; W801-F803 VanDerWaalsContact C-N 3.3Å; W801-F803 PolarHBondContact O-N 2.89Å; W801-N804 PolarHBondContact O-N 2.94Å; W801-V805 HydrophobicContact CD2-CG2 3.91Å; W801-V805 HydrophobicContact CE3-CG2 3.95Å; W801-V805 HydrophobicContact CH2-CG2 3.86Å; W801-V805 HydrophobicContact CZ2-CG2 3.82Å; W801-V805 HydrophobicContact CZ3-CG2 3.9Å; W801-V805 WeakPolarHBondContact O-CG2 3.48Å; W801-V805 PolarHBondContact O-N 3.49Å
802A84.8Confident86.9Confident20 Ų2076.8 Ų76.817%0.16541%0.409CS..Hα-helixtrans-62.2-37.6177.100000112.2R798 E799 R806R798-A802 WeakPolarHBondContact O-CB 3.49Å; R798-A802 PolarHBondContact O-N 3.34Å; E799-A802 PolarHBondContact O-N 2.87Å; A802-R806 WeakPolarHBondContact O-CD 3.25Å; A802-R806 VanDerWaalsContact O-CG 3.26Å; A802-R806 WeakPolarHBondContact O-CG 3.32Å; A802-R806 PolarHBondContact O-N 2.81Å; A802-R806 VanDerWaalsContact O-N 3.12Å
803F86.7Confident86.1Confident125 Ų12576.6 Ų76.655%0.54841%0.41SS..Hα-helixtrans-63.4-49172.7-178.5-96.6000112E799 M800 W801 V805 R806 L807E799-F803 WeakPolarHBondContact O-CB 3.39Å; E799-F803 PolarHBondContact O-N 2.99Å; M800-F803 PolarHBondContact O-N 3.32Å; W801-F803 VanDerWaalsContact C-N 3.3Å; W801-F803 PolarHBondContact O-N 2.89Å; F803-V805 PolarHBondContact O-N 3.48Å; F803-R806 PolarHBondContact O-N 2.86Å; F803-L807 HydrophobicContact CE1-CD1 3.82Å; F803-L807 HydrophobicContact CZ-CD1 4.14Å; F803-L807 WeakPolarHBondContact O-CB 3.46Å; F803-L807 PolarHBondContact O-N 2.93Å
804N86.5Confident85.5Confident75 Ų7581.1 Ų81.140%0.40143%0.432SS..Hα-helixtrans-62.9-39.2179.5-75.2-11.4000112.6M800 W801 L807 A808M800-N804 WeakPolarHBondContact O-CB 3.25Å; M800-N804 VanDerWaalsContact O-CG 3.31Å; M800-N804 PolarHBondContact O-N 2.9Å; W801-N804 PolarHBondContact O-N 2.94Å; N804-L807 PolarHBondContact O-N 3.36Å; N804-A808 WeakPolarHBondContact O-CB 3.32Å; N804-A808 PolarHBondContact O-N 3.35Å
805V88.2Confident84.6Confident68 Ų6885.9 Ų85.941%0.41246%0.455SS..Hα-helixtrans-63.7-43.7174.9169.90000111.3W801 F803 A808 S809W801-V805 HydrophobicContact CD2-CG2 3.91Å; W801-V805 HydrophobicContact CE3-CG2 3.95Å; W801-V805 HydrophobicContact CH2-CG2 3.86Å; W801-V805 HydrophobicContact CZ2-CG2 3.82Å; W801-V805 HydrophobicContact CZ3-CG2 3.9Å; W801-V805 WeakPolarHBondContact O-CG2 3.48Å; W801-V805 PolarHBondContact O-N 3.49Å; F803-V805 PolarHBondContact O-N 3.48Å; V805-A808 PolarHBondContact O-N 2.94Å; V805-S809 WeakPolarHBondContact O-CB 3.35Å; V805-S809 PolarHBondContact O-N 2.97Å
806R89.2Confident83.7Confident186 Ų18686.9 Ų86.970%0.70246%0.457SS*.Hα-helixtrans-62.5-43.4175.1-72.8169.1-178.6168.61.6111.7A802 F803 S809 A810A802-R806 WeakPolarHBondContact O-CD 3.25Å; A802-R806 VanDerWaalsContact O-CG 3.26Å; A802-R806 WeakPolarHBondContact O-CG 3.32Å; A802-R806 PolarHBondContact O-N 2.81Å; A802-R806 VanDerWaalsContact O-N 3.12Å; F803-R806 PolarHBondContact O-N 2.86Å; R806-S809 PolarHBondContact O-N 2.98Å; R806-A810 WeakPolarHBondContact O-CB 3.15Å; R806-A810 PolarHBondContact O-N 3.44Å
807L85.7Confident82.1Confident98 Ų9888.1 Ų88.151%0.51346%0.458SS..Hα-helixtrans-64.7-43.6178.5-168.1154.8000111.5F803 N804 A810 A811F803-L807 HydrophobicContact CE1-CD1 3.82Å; F803-L807 HydrophobicContact CZ-CD1 4.14Å; F803-L807 WeakPolarHBondContact O-CB 3.46Å; F803-L807 PolarHBondContact O-N 2.93Å; N804-L807 PolarHBondContact O-N 3.36Å; L807-A810 PolarHBondContact O-N 3.17Å; L807-A811 WeakPolarHBondContact O-CB 3.1Å; L807-A811 PolarHBondContact O-N 3.01Å
808A83.6Confident80.2Confident53 Ų5390.8 Ų90.844%0.43848%0.475SS..Hα-helixtrans-63.7-40.2175.100000112.6N804 V805 T812N804-A808 WeakPolarHBondContact O-CB 3.32Å; N804-A808 PolarHBondContact O-N 3.35Å; V805-A808 PolarHBondContact O-N 2.94Å; A808-T812 WeakPolarHBondContact O-CB 3.28Å; A808-T812 PolarHBondContact O-N 2.75Å; A808-T812 PolarHBondContact O-OG1 3.24Å
809S85Confident78.4Confident77 Ų7788.7 Ų88.754%0.53848%0.477SS..Hα-helixtrans-64.1-45.9174.7-173.30000111.7V805 R806 T812 A813V805-S809 WeakPolarHBondContact O-CB 3.35Å; V805-S809 PolarHBondContact O-N 2.97Å; R806-S809 PolarHBondContact O-N 2.98Å; S809-T812 PolarHBondContact O-N 3.3Å; S809-A813 WeakPolarHBondContact O-CB 3.43Å; S809-A813 PolarHBondContact O-N 2.82Å
810A82.4Confident76.3Confident52 Ų5287.7 Ų87.743%0.4348%0.475SS..Hα-helixtrans-63.1-43.5176.500000112.4R806 L807 T812 A813 L814R806-A810 WeakPolarHBondContact O-CB 3.15Å; R806-A810 PolarHBondContact O-N 3.44Å; L807-A810 PolarHBondContact O-N 3.17Å; A810-T812 VanDerWaalsContact C-N 3.34Å; A810-T812 PolarHBondContact O-N 3.03Å; A810-A813 PolarHBondContact O-N 3.46Å; A810-L814 WeakPolarHBondContact O-CG 3.23Å; A810-L814 PolarHBondContact O-N 3.09Å
811A80Confident74.4Confident35 Ų3588.5 Ų88.529%0.28948%0.48SS..Hα-helixtrans-61.3-42.4174.600000111.7L807 L814 M815L807-A811 WeakPolarHBondContact O-CB 3.1Å; L807-A811 PolarHBondContact O-N 3.01Å; A811-L814 PolarHBondContact O-N 3.32Å; A811-M815 WeakPolarHBondContact O-CG 3.02Å; A811-M815 PolarHBondContact O-N 3.36Å
812T82.2Confident72.4Confident73 Ų7389.2 Ų89.245%0.44849%0.491SS..Hα-helixtrans-62.3-44.9175.8-56.50000111.2A808 S809 A810 L814 M815 T816A808-T812 WeakPolarHBondContact O-CB 3.28Å; A808-T812 PolarHBondContact O-N 2.75Å; A808-T812 PolarHBondContact O-OG1 3.24Å; S809-T812 PolarHBondContact O-N 3.3Å; A810-T812 VanDerWaalsContact C-N 3.34Å; A810-T812 PolarHBondContact O-N 3.03Å; T812-L814 VanDerWaalsContact C-N 3.33Å; T812-L814 PolarHBondContact O-N 3.4Å; T812-M815 PolarHBondContact O-N 3.13Å; T812-T816 PolarHBondContact O-N 3.08Å; T812-T816 PolarHBondContact O-OG1 2.86Å
813A76.8Confident70.3Confident42 Ų4295.2 Ų95.235%0.34752%0.521SS..Hα-helixtrans-62.7-36.4177.600000113S809 A810 T816 K817S809-A813 WeakPolarHBondContact O-CB 3.43Å; S809-A813 PolarHBondContact O-N 2.82Å; A810-A813 PolarHBondContact O-N 3.46Å; A813-T816 WeakPolarHBondContact CA-OG1 3.34Å; A813-T816 PolarHBondContact O-OG1 3.15Å; A813-T816 VanDerWaalsContact O-OG1 3.07Å; A813-K817 WeakPolarHBondContact O-CB 3.48Å; A813-K817 VanDerWaalsContact O-CG 3.28Å; A813-K817 WeakPolarHBondContact O-CG 3.49Å; A813-K817 PolarHBondContact O-N 3.22Å; A813-K817 VanDerWaalsContact O-N 3.11Å
814L77.2Confident67.9Low116 Ų11693.9 Ų93.961%0.60753%0.527SS*.Hα-helixtrans-69.4-45.3174.1-72.9168.7000111.9A810 A811 T812 T816 K817 N818A810-L814 WeakPolarHBondContact O-CG 3.23Å; A810-L814 PolarHBondContact O-N 3.09Å; A811-L814 PolarHBondContact O-N 3.32Å; T812-L814 VanDerWaalsContact C-N 3.33Å; T812-L814 PolarHBondContact O-N 3.4Å; L814-T816 PolarHBondContact O-N 3.2Å; L814-K817 PolarHBondContact O-N 3.21Å; L814-N818 PolarHBondContact O-N 2.94Å
815M72.4Confident65.4Low119 Ų11995.5 Ų95.559%0.58654%0.544SS*.Hα-helixtrans-61.2-42.5177.3-71.7178.8-175.800112M1 A811 T812 S819M1-M815 HydrophobicContact CE-SD 4.33Å; A811-M815 WeakPolarHBondContact O-CG 3.02Å; A811-M815 PolarHBondContact O-N 3.36Å; T812-M815 PolarHBondContact O-N 3.13Å; M815-S819 PolarHBondContact O-N 2.85Å
816T72.7Confident62.7Low66 Ų6697.1 Ų97.141%0.40556%0.559SS.*Hα-helixtrans-67.4-39.6176.549.20000112.4T812 A813 L814 S819 L820T812-T816 PolarHBondContact O-N 3.08Å; T812-T816 PolarHBondContact O-OG1 2.86Å; A813-T816 WeakPolarHBondContact CA-OG1 3.34Å; A813-T816 PolarHBondContact O-OG1 3.15Å; A813-T816 VanDerWaalsContact O-OG1 3.07Å; L814-T816 PolarHBondContact O-N 3.2Å; T816-S819 PolarHBondContact O-N 3Å; T816-S819 PolarHBondContact O-OG 3.22Å; T816-L820 PolarHBondContact O-N 2.78Å
817K55.7Low60.1Low125 Ų12596.8 Ų96.854%0.54356%0.562SS.*Hα-helixtrans-65.2-39.7178.3-78.9177.2178-177.70112.7A813 L814 S819 L820A813-K817 WeakPolarHBondContact O-CB 3.48Å; A813-K817 VanDerWaalsContact O-CG 3.28Å; A813-K817 WeakPolarHBondContact O-CG 3.49Å; A813-K817 PolarHBondContact O-N 3.22Å; A813-K817 VanDerWaalsContact O-N 3.11Å; L814-K817 PolarHBondContact O-N 3.21Å; K817-S819 VanDerWaalsContact C-N 3.3Å; K817-S819 PolarHBondContact O-N 2.93Å; K817-L820 PolarHBondContact O-N 2.66Å
818N48.4Very low57.6Low109 Ų109100.6 Ų100.658%0.58358%0.577SS**Hα-helixtrans-65.4-31.9174.7-85.74.9000112.9L814 L820L814-N818 PolarHBondContact O-N 2.94Å; N818-L820 VanDerWaalsContact C-N 3.34Å; N818-L820 PolarHBondContact O-N 3.21Å
819S51Low55.2Low65 Ų65102.8 Ų102.846%0.45559%0.589SS.*Hα-helixtrans-68.7-29.1176.973.10000114M815 T816 K817M815-S819 PolarHBondContact O-N 2.85Å; T816-S819 PolarHBondContact O-N 3Å; T816-S819 PolarHBondContact O-OG 3.22Å; K817-S819 VanDerWaalsContact C-N 3.3Å; K817-S819 PolarHBondContact O-N 2.93Å
820L43.4Very low52.6Low119 Ų119107.6 Ų107.662%0.62360%0.603SS**Hα-helixtrans-77.1-26180-74.6159.4000113.1T816 K817 N818 S824T816-L820 PolarHBondContact O-N 2.78Å; K817-L820 PolarHBondContact O-N 2.66Å; N818-L820 VanDerWaalsContact C-N 3.34Å; N818-L820 PolarHBondContact O-N 3.21Å; L820-S824 PolarHBondContact O-OG 3.45Å
821I44.9Very low50.2Low120 Ų120112 Ų11262%0.61562%0.619SS**Hα-helixtrans-75.7-28.4178.4-65171.1000111.4
822I44.2Very low48.2Very low130 Ų130116 Ų11667%0.66764%0.636SS**Hα-helixtrans-81.6-27.9-173.6-65171000112.8
823N39.3Very low45.9Very low146 Ų146119.3 Ų119.378%0.78165%0.651SS**THydrogen-bonded Turntrans-99.27.9-174.9-73-9.3000115.2
824S38.1Very low44Very low97 Ų97124.9 Ų124.968%0.67868%0.675SS**  trans-104.2-1.4-174.3-57.40000114.5L820 S826L820-S824 PolarHBondContact O-OG 3.45Å; S824-S826 PolarHBondContact O-N 2.94Å
825S33.6Very low41.8Very low109 Ų109127.1 Ų127.176%0.76268%0.68SS**  trans-101.275.8-173.6-68.30000113.1
826S31.1Very low39.8Very low103 Ų103128.6 Ų128.672%0.7269%0.688SS**  trans-158.3125.5161.3-140.90000115S824S824-S826 PolarHBondContact O-N 2.94Å
827K34.2Very low38Very low179 Ų179133.8 Ų133.878%0.77870%0.702SS**  trans91.9120156-57-172.4-179.5-178.10120.7
828H34.4Very low36.7Very low178 Ų178135.9 Ų135.982%0.82472%0.718SS**  trans65.7141.6155.7-64.8-66000119.2
829S31.8Very low35.8Very low99 Ų99135.4 Ų135.469%0.69272%0.723SS**  cis-157.8169.6-14.9540000110.2N831S829-N831 PolarHBondContact O-N 3.47Å
830E30.2Very low34.9Very low177 Ų177138 Ų13883%0.82774%0.739SS**  trans-54.2131175.7-64.4142.1116.900113
831N31.7Very low34.2Very low144 Ų144140.4 Ų140.477%0.7775%0.751SS**  -172152.3106.7-98.7-11.4000113.2S829S829-N831 PolarHBondContact O-N 3.47Å
832D38.3Very low33.5Very low121 Ų121143.9 Ų143.965%0.64776%0.762SS**  trans58.993.3157.4-64.7-50.7000121N834D832-N834 PolarHBondContact O-N 2.96Å
833N33.7Very low32.8Very low142 Ų142145 Ų14576%0.75977%0.769SS**  55.763.6112.2-63.8-47.7000117.4
834N37Very low32.5Very low158 Ų158143.4 Ų143.485%0.84577%0.765SS**  trans-148143.5143.4-108.5-44.2000115D832 I836D832-N834 PolarHBondContact O-N 2.96Å; N834-I836 PolarHBondContact O-N 2.95Å; N834-I836 VanDerWaalsContact O-N 3.07Å
835K31.6Very low32Very low164 Ų164148.8 Ų148.871%0.71378%0.776SS**  trans-8578.7-159.2-165.8178.7-175-179.10112.2Y837K835-Y837 HydrophobicContact CD-CE2 4.08Å; K835-Y837 HydrophobicContact CG-CD2 4.44Å; K835-Y837 HydrophobicContact CG-CE2 4.1Å; K835-Y837 PolarHBondContact O-N 3.08Å
836I29.8Very low31.9Very low149 Ų149146.9 Ų146.976%0.76477%0.774SS**  trans-76.5105.7176.2-58.5178.9000109.9N834 L838N834-I836 PolarHBondContact O-N 2.95Å; N834-I836 VanDerWaalsContact O-N 3.07Å; I836-L838 PolarHBondContact O-N 2.88Å
837Y35.2Very low32Very low176 Ų176149.4 Ų149.469%0.6977%0.774SS**  trans-68.5111.4169.2-85-98.1000110.3K835 S839K835-Y837 HydrophobicContact CD-CE2 4.08Å; K835-Y837 HydrophobicContact CG-CD2 4.44Å; K835-Y837 HydrophobicContact CG-CE2 4.1Å; K835-Y837 PolarHBondContact O-N 3.08Å; Y837-S839 PolarHBondContact O-N 3.11Å; Y837-S839 VanDerWaalsContact O-N 3.15Å
838L28.4Very low31.8Very low168 Ų168147.4 Ų147.488%0.8877%0.771SS**  trans-62.8112.5156.5-90.273.2000108I836I836-L838 PolarHBondContact O-N 2.88Å
839S29.7Very low31.7Very low100 Ų100144.4 Ų144.470%0.69976%0.761SS**  trans-111.3139.4161.1530000108.6Y837Y837-S839 PolarHBondContact O-N 3.11Å; Y837-S839 VanDerWaalsContact O-N 3.15Å
840P33.4Very low31.6Very low120 Ų120149.9 Ų149.978%0.77977%0.768SS**  trans-67149.1-174-18.631.5000112K842P840-K842 VanDerWaalsContact C-N 3.26Å; P840-K842 PolarHBondContact O-N 3.22Å
841L28.6Very low31.6Very low168 Ų168146 Ų14688%0.8876%0.76SS**  trans-59.476.6175.8-82.6151000113.4N843L841-N843 PolarHBondContact O-N 3.42Å
842K30.1Very low31.4Very low193 Ų193146.8 Ų146.884%0.83976%0.764SS**  trans-8586.6153.9-73.7-176.4175.8-177.20108P840P840-K842 VanDerWaalsContact C-N 3.26Å; P840-K842 PolarHBondContact O-N 3.22Å
843N29.7Very low30.9Very low155 Ų155150 Ų15083%0.82977%0.772SS**  trans176.563.2156.2-91.4-14.6000111.9L841L841-N843 PolarHBondContact O-N 3.42Å
844T32Very low30.7Very low111 Ų111150.4 Ų150.468%0.68177%0.769SS**SBendtrans-150.443.6160.4-36.30000111.9
845F27.5Very low30.2Very low210 Ų210147 Ų14792%0.92176%0.758SS**  trans-142.397.9166.3-102.9-87.1000107.7
846G31.4Very low30.1Very low70 Ų70145.9 Ų145.972%0.72276%0.76SS**  trans-126.7115.9177.100000109.6
847H32.6Very low30.1Very low156 Ų156145.4 Ų145.472%0.72276%0.757SS**  trans53.989.7174.1-84.1-91.5000117.7D849H847-D849 IonicContact CE1-OD1 3.11Å; H847-D849 PolarHBondContact CE1-OD1 3.2Å; H847-D849 IonicContact CE1-OD2 3.61Å; H847-D849 IonicContact CG-OD2 3.83Å; H847-D849 IonicContact ND1-OD1 2.98Å; H847-D849 PolarHBondContact ND1-OD1 3.11Å; H847-D849 IonicContact ND1-OD2 2.77Å; H847-D849 PolarHBondContact ND1-OD2 3.24Å
848I31.2Very low30Very low136 Ų136142.7 Ų142.770%0.69776%0.761SS**  trans-114.7108.8133-60.5175.2000105.2Y850I848-Y850 HydrophobicContact CG2-CD2 3.85Å; I848-Y850 HydrophobicContact CG2-CE2 3.85Å; I848-Y850 PolarHBondContact O-N 3.27Å; I848-Y850 VanDerWaalsContact O-N 3.12Å
849D32.4Very low30Very low115 Ų115142.2 Ų142.262%0.61576%0.758SS**  trans-72.9102-179.7-69.2-68.5000111.2H847H847-D849 IonicContact CE1-OD1 3.11Å; H847-D849 PolarHBondContact CE1-OD1 3.2Å; H847-D849 IonicContact CE1-OD2 3.61Å; H847-D849 IonicContact CG-OD2 3.83Å; H847-D849 IonicContact ND1-OD1 2.98Å; H847-D849 PolarHBondContact ND1-OD1 3.11Å; H847-D849 IonicContact ND1-OD2 2.77Å; H847-D849 PolarHBondContact ND1-OD2 3.24Å
850Y29Very low29.8Very low214 Ų214144.3 Ų144.384%0.83976%0.761SS**  trans-105.888.9160.5-86.7-83.9000108.7I848I848-Y850 HydrophobicContact CG2-CD2 3.85Å; I848-Y850 HydrophobicContact CG2-CE2 3.85Å; I848-Y850 PolarHBondContact O-N 3.27Å; I848-Y850 VanDerWaalsContact O-N 3.12Å
851S29.9Very low29.4Very low95 Ų95143.5 Ų143.566%0.66475%0.754SS**  trans-158.164.5173.5500000113.7
852L27.1Very low29.2Very low162 Ų162140.9 Ų140.985%0.84875%0.746SS**  trans-98.6142141.7-85.6165.2000107.3
853F28.3Very low28.9Very low188 Ų188138 Ų13883%0.82574%0.739SS**  trans69.1118.5-165.5-58.9-90.7000112.9
854Q30.6Very low28.7Very low150 Ų150136 Ų13670%0.70173%0.733SS**  cis-157.4152.134.3-160.785.38.800110.3
855S26.3Very low28.3Very low87 Ų87135.3 Ų135.361%0.60873%0.732SS**  trans-91.6168.4174.653.30000113.7
856N29.3Very low28.3Very low140 Ų140133.4 Ų133.475%0.74973%0.726SS**  trans83.4138169.1-55.1-18.6000115.8
857I28.9Very low28.1Very low139 Ų139135.9 Ų135.971%0.71373%0.727SS**  cis-150.9149.7-1.8-101.4151.8000108.2
858P33.4Very low27.6Very low119 Ų119135.3 Ų135.377%0.77373%0.729SS**  trans-95.1149.817936.8-33.6000113.5
859I28.9Very low27.4Very low159 Ų159133.7 Ų133.782%0.81573%0.73SS**  trans-137.5131.4161.2-53.3-176.8000110.3
860N24.1Very low27.2Very low144 Ų144133.4 Ų133.477%0.7774%0.737SS**  trans-53.8174.7168.5-83.9-35.9000112
861T26.5Very low27.1Very low103 Ų103128.1 Ų128.163%0.63273%0.731SS**  cis-175.614942-22.30000109.4
862T24.5Very low26.9Very low113 Ų113130.5 Ų130.569%0.69374%0.735SS**  trans59.1147.714754.70000119.6
863N23.7Very low26.8Very low133 Ų133129.5 Ų129.571%0.71173%0.73SS**  cis-164.8167-0.4-115.5-10.4000110.2
864T25.9Very low26.7Very low113 Ų113127.6 Ų127.669%0.69373%0.727SS**  trans48.2104.9148.256.80000118.9
865S23.3Very low26.6Very low95 Ų95126 Ų12666%0.66473%0.727SS**  79.7134.670.475.50000116.7
866H25.9Very low26.7Very low171 Ų171129.8 Ų129.879%0.79273%0.733SS**  trans91.7137.2155.7-77.2-73.8000122.8
867V27.4Very low26.7Very low121 Ų121129.4 Ų129.473%0.73373%0.727SS**  trans66.4106.5153.3-66.20000122.4
868N23.7Very low26.6Very low145 Ų145129.2 Ų129.278%0.77573%0.727SS**  44.1122118.3-70-3.7000121.1
869S26.9Very low26.6Very low101 Ų101131.2 Ų131.271%0.70673%0.73SS**  69.5106128.2-56.10000119.7
870S26.4Very low26.6Very low109 Ų109128.9 Ų128.976%0.76273%0.728SS**  trans84.1136.5133.4-53.30000119.4
871S26.9Very low27.4Very low104 Ų104126.9 Ų126.973%0.72772%0.723SS**  trans90.7116.2147.7-51.70000119.3
872I26.9Very low27.4Very low145 Ų145128.5 Ų128.574%0.74473%0.728SS**  79.4101.8124-71.2175.8000118.4
873L25.5Very low27.8Very low140 Ų140130.1 Ų130.173%0.73373%0.732SS**  58.5111.1124.2-67.7167.4000121
874L24.8Very low27.9Very low148 Ų148131.5 Ų131.578%0.77573%0.733SS**  82.9159.6112.7-148.4141.5000117.7
875V29.7Very low28.1Very low116 Ų116133.4 Ų133.470%0.70373%0.734SS**  trans75.496-173.7-163.80000111.5
876K27.7Very low28.2Very low168 Ų168137.2 Ų137.273%0.7374%0.742SS**  cis77.6151.145.3-156.8-173175.8-156.20112.6
877E29.2Very low28.2Very low131 Ų131134 Ų13461%0.61273%0.734SS**  trans72102.8-177.2-83.8125.2-131.100114.1
878N27.4Very low28.2Very low136 Ų136135.3 Ų135.373%0.72773%0.734SS**  82.3118.674.4-75.2-13.9000110.6
879L33.3Very low28.3Very low160 Ų160134.7 Ų134.784%0.83873%0.731SS**  -165.1107.1104.6-12182000111
880S29.6Very low28.1Very low110 Ų110135.1 Ų135.177%0.76973%0.732SS**  66.6157.9126.5-780000122
881P39.1Very low28.1Very low103 Ų103139.4 Ų139.467%0.66974%0.738SS**  trans-121-161.4-144.635.6-15.5000111.3
882D28.1Very low28.1Very low136 Ų136142.5 Ų142.573%0.72774%0.741SS**  -178.7152.9114.8-98.7-21.1000115.7
883L32Very low27.9Very low147 Ų147141.2 Ų141.277%0.7774%0.742SS**  trans56.6107.6164.9-83.467.9000118.3
884H27Very low28Very low162 Ų162142.2 Ų142.275%0.7575%0.746SS**  68.3117.774.6-85.129.6000113.2
885E28.8Very low28.1Very low153 Ų153145.7 Ų145.772%0.71575%0.751SS**  101.4159.353.9-177171155.700110.3
886Q25.9Very low28Very low175 Ų175149.1 Ų149.182%0.81876%0.759SS**  trans85.4128.8-174.2-57.1174.2-4.700113.8
887T26.7Very low28Very low103 Ų103147.7 Ų147.763%0.63276%0.759SS**  cis-154.5130.7-3.413.10000106
888M25.7Very low27.9Very low150 Ų150148 Ų14874%0.73977%0.765SS**  62.4131.473.3-71.3-70.1101.800116.1
889D26.2Very low27.9Very low132 Ų132147.9 Ų147.971%0.70676%0.764SS**  trans66.6105.3156.9-58.1-38.6000122.3
890C24.4Very low27.6Very low109 Ų109148.3 Ų148.374%0.73676%0.762SS**SBend-16594104.4-162.80000113.1
891F25.1Very low27.6Very low199 Ų199151.1 Ų151.187%0.87377%0.768SS**SBend-177.9126.2119.5-107.6-73.8000109.6
892Q26.3Very low26.9Very low170 Ų170151 Ų15179%0.79477%0.769SS**  trans-81.8152.3-154.7-66.9-176.8-50.700115.5
893P24.2Very low26.9Very low118 Ų118152.2 Ų152.277%0.76678%0.775SS**  trans-72.9151.6153.634.7-33000110
894I25.9Very low26.7Very low160 Ų160153.4 Ų153.482%0.82177%0.774SS**  trans-122.589.4162.5-55.6179.4000108.3
895Y28.6Very low26.7Very low221 Ų221154.1 Ų154.187%0.86778%0.775SS**  trans-126109.5145.1-114.1-85.8000104.4
896E27.8Very low26.7Very low189 Ų189155.7 Ų155.788%0.88378%0.78SS**  trans-140.9147.7161-109.6-166169.100109.3
897D26.6Very low26.8Very low137 Ų137152.3 Ų152.373%0.73378%0.775SS**  trans-93.9176.4-164.7-70.3-65.1000112.9
898D27.4Very low26.9Very low138 Ų138151.9 Ų151.974%0.73878%0.777SS**  trans74.5116.8143.2-81.3-5.7000122.3
899N26.9Very low27.3Very low133 Ų133153.9 Ų153.971%0.71178%0.784SS**  102.3131.7126.9-85.2-46.7000121.1
900Q27.9Very low27.4Very low169 Ų169158.3 Ų158.379%0.7979%0.791SS**  trans68.782.1155.3-55.9-88.428.300117.9
901L29.1Very low27.7Very low170 Ų170161 Ų16189%0.8980%0.797SS**  -159.1120.7120.7-108.6153.3000112.3
902S25.2Very low28.1Very low99 Ų99157.5 Ų157.569%0.69279%0.792SS**  trans-67.9134.4176.348.90000111.6
903L28.3Very low28.5Very low163 Ų163161.1 Ų161.185%0.85380%0.798SS**  -173.8144.2118.3-97.8157.7000112.2
904K26.6Very low28.8Very low172 Ų172165.6 Ų165.675%0.74880%0.8SS**  trans-54.6141.8173-59.2159.7178.5171.20110
905F27.9Very low29.2Very low176 Ų176163.3 Ų163.377%0.77280%0.798SS**  175.1127.7101.3-102.6-81.2000113.7
906K28.3Very low29.4Very low187 Ų187162.4 Ų162.481%0.81379%0.793SS**  trans18.5136.3147.8-70.5-178.9172.2179.90121.4
907S28.4Very low29.8Very low103 Ų103160.9 Ų160.972%0.7279%0.79SS**  trans91.2130.2136.4-159.90000118.7
908S28.4Very low30.3Very low95 Ų95159.7 Ų159.766%0.66478%0.782SS**  trans52.1105.5149.1-53.70000118.5
909H32.9Very low30.5Very low191 Ų191158.7 Ų158.788%0.88478%0.783SS**  -168.6150.894.9-108.6-87.3000113.7
910R28.5Very low30.8Very low226 Ų226162.3 Ų162.385%0.85379%0.788SS**  trans-90.3117.2-170.7178-167.5-163.6-179.58111.2
911L31.7Very low30.9Very low165 Ų165162 Ų16286%0.86479%0.788SS**  trans-147.372.3173.7-108.9156.8000113R913L911-R913 PolarHBondContact O-N 3.48Å
912T34Very low31Very low125 Ų125161.5 Ų161.577%0.76778%0.783SS**  trans-77.4108.5172-33.90000110R914T912-R914 PolarHBondContact O-N 2.94Å
913R34.3Very low31.4Very low246 Ų246165 Ų16593%0.92879%0.788SS**  trans-71.389.1-179.2-136.1-177.9-171.5-165.83.9110.6L911 S915L911-R913 PolarHBondContact O-N 3.48Å; R913-S915 PolarHBondContact O-N 2.59Å
914R29.9Very low31.6Very low212 Ų212165.1 Ų165.180%0.878%0.784SS**  trans-71.1104.7173.2-91.4-179.9161.5175.6-7110.9T912 R916T912-R914 PolarHBondContact O-N 2.94Å; R914-R916 PolarHBondContact O-N 2.94Å
915S35.2Very low31.9Very low113 Ų113164.7 Ų164.779%0.7979%0.786SS**  trans-70.6100.4153.440.70000108.5R913 I917R913-S915 PolarHBondContact O-N 2.59Å; S915-I917 PolarHBondContact O-N 3.33Å; S915-I917 VanDerWaalsContact O-N 3.11Å
916R32.3Very low32.1Very low201 Ų201163.9 Ų163.976%0.75879%0.787SS**  trans-77.194.5174-63.6-174.5-162.7178.35.1109.3R914 I918R914-R916 PolarHBondContact O-N 2.94Å; R916-I918 HydrophobicContact CB-CG1 4.23Å; R916-I918 PolarHBondContact O-N 3.17Å
917I36.1Very low32.4Very low158 Ų158162.3 Ų162.381%0.8179%0.785SS**  trans-70.9105.7152.3-61.1176.2000105.4S915 P919S915-I917 PolarHBondContact O-N 3.33Å; S915-I917 VanDerWaalsContact O-N 3.11Å; I917-P919 WeakPolarHBondContact O-CD 3.32Å
918I36.8Very low32.7Very low111 Ų111166.8 Ų166.857%0.56979%0.79SS**  trans-79.7119177.2-60.1172.9000106.6R916 Y920R916-I918 HydrophobicContact CB-CG1 4.23Å; R916-I918 PolarHBondContact O-N 3.17Å; I918-Y920 PolarHBondContact O-N 3.21Å
919P32.9Very low33.1Very low118 Ų118172.8 Ų172.877%0.76680%0.801SS**  trans-66.2127.7166.929.6-31.8000107.8I917I917-P919 WeakPolarHBondContact O-CD 3.32Å
920Y32.2Very low33.1Very low208 Ų208171.2 Ų171.282%0.81679%0.793SS**  trans-87.90-179.3-122.3-100.7000111.4R744 I918R744-Y920 HydrophobicContact CG-CE1 4.49Å; R744-Y920 VanDerWaalsContact NH1-CD1 3.34Å; R744-Y920 PolarHBondContact NH2-OXT 2.81Å; I918-Y920 PolarHBondContact O-N 3.21Å

Retrieved 920 of 920 residues in 977.1 ms (Link to these results)