A0A096MCT0_POEFO Loading...

Nuclear factor of activated T cells 1

AlphaFold DB , UniProt , Accession A0A096MCT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 936 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.2Very low31.6Very low237 Ų237141.8 Ų141.8100%1.16780%0.803SS**  0147.10-82.2168.5150.400108.1
2Q32.3Very low31.7Very low170 Ų170143.5 Ų143.579%0.79480%0.795SS**  trans60.285162.3-69.9175.3-29.100119.4
3D36.6Very low31.6Very low137 Ų137146.5 Ų146.573%0.73380%0.795SS**  72.5143104.8-57.2-30.2000125
4T35.9Very low31.7Very low127 Ų127145.2 Ų145.278%0.77979%0.788SS**  trans86.7104.9143.9380000123.5
5S35.2Very low31.8Very low97 Ų97150.7 Ų150.768%0.67880%0.802SS**  67.1101.5122.3700000122.9
6S32Very low31.5Very low103 Ų103145.6 Ų145.672%0.7280%0.796SS**  62.2145.8118.5700000124.2
7L29.6Very low31.4Very low159 Ų159143.6 Ų143.683%0.83280%0.804SS**  trans80.393.7153.2-76.3160.8000120.3
8S29.4Very low31.5Very low105 Ų105140.9 Ų140.973%0.73480%0.803SS**  36.2124.7123.6-162.70000120.9
9V28.8Very low31.6Very low133 Ų133138.3 Ų138.381%0.80680%0.8SS**  172.1135.7113.9150.70000110.6
10K28.2Very low31.6Very low210 Ų210139.4 Ų139.491%0.91380%0.802SS**  trans-155.9139.6145.5-122.6172.5-174.9176.10111.9
11A30.8Very low31.5Very low82 Ų82136.8 Ų136.868%0.67880%0.797SS**  trans-110.9-171.3172.700000108.5
12K33Very low31.6Very low162 Ų162130.2 Ų130.270%0.70478%0.781SS**  cis-167.9-178.719.7-155.5169.3-177.5176.60110.1
13F30.3Very low31.4Very low182 Ų182127 Ų12780%0.79878%0.783SS**  trans83.9152.2167.4-62.4-87.8000118
14N32.1Very low31Very low129 Ų129125.1 Ų125.169%0.6979%0.787SS**  167.2129-52.3-10016.1000109.2
15F33.4Very low30.6Very low227 Ų227123.5 Ų123.5100%0.99679%0.786SS**  trans164.2139.9148.1-94.4-66.8000105.7
16G27.6Very low30.3Very low69 Ų69124.2 Ų124.271%0.71180%0.798SS**  cis16396.8-5.900000107.5
17A30.5Very low30.1Very low112 Ų112122.6 Ų122.693%0.92680%0.798SS**  88.589.675.800000115.1
18A31.8Very low30.2Very low96 Ų96123.9 Ų123.979%0.79380%0.799SS**  trans-153.8119.915300000106.4
19A33.4Very low30.2Very low91 Ų91126.3 Ų126.375%0.75280%0.799SS**  73126.36000000111.9
20L31.6Very low30.4Very low160 Ų160131.2 Ų131.284%0.83880%0.803SS**  cis-128.4144.87.6-82.697.5000111.1
21A30.1Very low30.4Very low84 Ų84124.9 Ų124.969%0.69480%0.797SS**  65.9117.386.400000113.8
22A30.2Very low30.4Very low100 Ų100128.2 Ų128.283%0.82680%0.803SS**  89.914376.100000112.4
23A29.6Very low30.2Very low101 Ų101128.4 Ų128.484%0.83581%0.806SS**  cis-157.5173.2-6.700000112.4
24A26.9Very low30.2Very low99 Ų99130.2 Ų130.282%0.81881%0.808SS**  trans-47.7160.7177.800000119
25A27.8Very low30.1Very low93 Ų93131.3 Ų131.377%0.76981%0.813SS**  163.5154.3114.400000113.4
26A29.3Very low29.8Very low112 Ų112130.6 Ų130.693%0.92681%0.809SS**  trans62.3140.4174.200000117.7
27G28.2Very low29.9Very low69 Ų69132.1 Ų132.171%0.71181%0.809SS**  cis174.7175.7-8.700000114
28Q31.3Very low29.9Very low186 Ų186133 Ų13387%0.86980%0.803SS**  trans74.6143.4165.2-92.8179.9-82.500122.4
29E29.5Very low29.6Very low156 Ų156133.6 Ų133.673%0.72981%0.808SS**  trans85.4158.4146.4-72.6-83.679.400121.9
30R32.2Very low29.4Very low236 Ų236134.4 Ų134.489%0.89182%0.815SS**  trans-99.4166-164-52.8160.7172.1176.6-2.9111.4
31G28.6Very low29.4Very low76 Ų76131.9 Ų131.978%0.78482%0.817SS**  trans158.9128.5154.600000116.2
32L31.6Very low29.4Very low153 Ų153134.6 Ų134.680%0.80182%0.819SS**  trans-90.6148179.5-115.969.2000112.8
33Q28.6Very low29.2Very low166 Ų166138.6 Ų138.678%0.77682%0.824SS**  trans67.3143.4151.6-59.4178.52.800116.8
34R30.1Very low29.3Very low220 Ų220142.4 Ų142.483%0.8382%0.821SS**  56.213056-78.3-165.9175.7-157.60.5112.3
35L29.8Very low29.5Very low152 Ų152143.1 Ų143.180%0.79682%0.82SS**  cis-137.1155.1-4.9-90.6138.5000108
36K27Very low29.6Very low212 Ų212142.2 Ų142.292%0.92281%0.813SS**  trans-110.3146.3168-74.9-172.1176-176.60110.3
37S29Very low29.5Very low100 Ų100145.3 Ų145.370%0.69981%0.808SS**  trans-117.2148.4169.1-173.20000109.9
38T30.6Very low29.6Very low132 Ų132150 Ų15081%0.8181%0.812SS**  trans38.1113.8150.850.10000119.3
39A27.2Very low29.6Very low108 Ų108148.5 Ų148.589%0.89381%0.809SS**  trans-118.1149.1148.200000108.7
40A28.7Very low29.5Very low108 Ų108145 Ų14589%0.89381%0.807SS**  trans-137.6156.6177.100000109.9
41A31.1Very low29.2Very low107 Ų107143.7 Ų143.788%0.88480%0.804SS**  trans-137.4157.9173.600000109
42D30.9Very low29.1Very low140 Ų140146 Ų14675%0.74980%0.798SS**  trans-137147.7-176171.853.2000109.8
43M25.4Very low28.8Very low185 Ų185148.8 Ų148.891%0.91180%0.8SS**  trans-162.8168.8151.9-110.9166.369.400111.2
44K31.8Very low29Very low181 Ų181145.7 Ų145.779%0.78779%0.792SS**  trans-137.9175.4-141.1-178.1177.5174.3-176.50112.5
45S30.5Very low29.2Very low114 Ų114141.5 Ų141.580%0.79779%0.793SS**  trans73149.5169.824.60000116.9
46A29.7Very low29.1Very low74 Ų74140.9 Ų140.961%0.61279%0.791SS**  cis-163.6175-9.900000112.1
47E28.7Very low29.2Very low176 Ų176137.7 Ų137.782%0.82279%0.789SS**  trans75.7131.9147.9-80145.5-139.700124.4
48E30.2Very low29.2Very low169 Ų169137.1 Ų137.179%0.7979%0.785SS**  trans44.8119.8143.6-99.5171.4117.600125.5
49D30.1Very low29.3Very low154 Ų154138.5 Ų138.582%0.82479%0.786SS**  trans57.7163.1130.1-91.18.3000125.4
50A27.3Very low30.3Very low83 Ų83138.2 Ų138.269%0.68678%0.775SS**  trans84.8102.6160.700000121.6
51Y27Very low30.4Very low207 Ų207141.2 Ų141.281%0.81277%0.774SS**  59.7127.9129.8-76.2-77.1000124
52N25.2Very low30.1Very low126 Ų126139.7 Ų139.767%0.67477%0.769SS**  87.3123.4129.5-80.9-22.7000124.1
53Y27Very low30.2Very low211 Ų211142.3 Ų142.383%0.82778%0.779SS**  trans84.3146.3133-102.9-98.5000123.6
54T31.7Very low30.2Very low101 Ų101137 Ų13762%0.6277%0.771SS**  trans-88.2150.8173.346.90000111.9N56T54-N56 PolarHBondContact O-N 3.46Å; T54-N56 VanDerWaalsContact O-N 3.13Å
55P34.6Very low30.3Very low131 Ų131136.1 Ų136.185%0.85178%0.775SS**  trans-81.789.2172.932.8-33.4000111.2
56N27.5Very low31Very low140 Ų140136.7 Ų136.775%0.74978%0.777SS**  trans-90.7137.1153.1-103.8-34.1000108.5T54T54-N56 PolarHBondContact O-N 3.46Å; T54-N56 VanDerWaalsContact O-N 3.13Å
57V28.3Very low30.9Very low145 Ų145138.3 Ų138.388%0.87978%0.782SS**  trans-126.8129.9169.9-178.20000108.2
58S29.1Very low30.9Very low87 Ų87137.8 Ų137.861%0.60878%0.784SS**  trans-149178.5-160.3-59.60000111.8
59L33.5Very low30.7Very low162 Ų162133.7 Ų133.785%0.84877%0.774SS**  trans85.2161.7153.6-67.6-176.2000118.9
60P48.7Very low30.6Very low102 Ų102131.9 Ų131.966%0.66277%0.769SS**  cis-135.6-173.6-7.621.54000116.6
61I30.3Very low30.6Very low170 Ų170134.5 Ų134.587%0.87277%0.767SS**  trans98.3122.8150.2-46.4-170.3000118
62G25.9Very low30.7Very low75 Ų75133.2 Ų133.277%0.77376%0.762SS**  trans157.699.216300000113.6
63M32.4Very low31Very low196 Ų196135.5 Ų135.597%0.96677%0.768SS**  trans-102.4146.8177.3-70.5157.754.800111.9
64G25.9Very low31Very low72 Ų72130.8 Ų130.874%0.74276%0.762SS**  trans130.2117.7149.500000117.5
65N32.8Very low31Very low163 Ų163133.6 Ų133.687%0.87277%0.772SS**  trans-91.4150148.6-85.9-15.5000108.9
66P44.6Very low30.7Very low127 Ų127135.9 Ų135.983%0.82577%0.771SS**  -129.6173.8126.136.9-29.1000112.9
67C27.7Very low30.8Very low108 Ų108134.8 Ų134.873%0.7378%0.775SS**  trans-106.4-172.5-165-53.80000113.7
68L30Very low30.7Very low164 Ų164132.8 Ų132.886%0.85977%0.767SS**  trans86.2144164.4-51.6-179.8000116.2
69S24.9Very low31.6Very low83 Ų83134 Ų13458%0.5877%0.773SS**  cis-170.9167.6-14.853.80000112.4
70T27.4Very low31.4Very low116 Ų116132.5 Ų132.571%0.71277%0.77SS**  trans60.3160.3146.245.50000120.5
71Q28.2Very low30.8Very low138 Ų138134.2 Ų134.265%0.64577%0.773SS**  cis-169.7151.8-41.3-130.4174.4-9.200108.3
72Y28.5Very low31Very low180 Ų180132 Ų13271%0.70677%0.769SS**  trans50123.1163.2-54.7-61.1000121.9
73H32.1Very low31.1Very low174 Ų174135 Ų13581%0.80677%0.772SS**  165.797.2111.4-90.8-70.6000110.9
74T26.9Very low30.8Very low113 Ų113131.3 Ų131.369%0.69377%0.765SS**  67.8119.893.5270000119.6
75L32.5Very low30.9Very low160 Ų160132.8 Ų132.884%0.83876%0.764SS**  trans74.8149.1158.3-53.8171.5000116.6
76Q28.4Very low30.6Very low178 Ų178129.4 Ų129.483%0.83275%0.752SS**  cis-152.6146.513.5-152.9171.91.100114.4
77S28Very low29.9Very low118 Ų118131.2 Ų131.283%0.82575%0.75SS**  trans66.4139.4159.7-1490000123.2
78S27.2Very low29.9Very low103 Ų103134.7 Ų134.772%0.7276%0.755SS**  trans-112.1-161.5173.4-25.60000109.6
79P47.6Very low29.8Very low113 Ų113133.3 Ų133.373%0.73475%0.754SS**  cis-139.9-169-27.738.4-18.4000115.1
80V28.8Very low30Very low130 Ų130132.9 Ų132.979%0.78876%0.762SS**  trans88.1125.1152.2173.40000121.9
81I36.5Very low30.2Very low138 Ų138138.1 Ų138.171%0.70877%0.771SS**  trans-32.2158.2159.8-16.2176.8000117.2
82P33.9Very low30Very low124 Ų124137.1 Ų137.181%0.80578%0.779SS**  -134160.5109.438.8-31.8000115.7
83V29.1Very low30.1Very low138 Ų138134.4 Ų134.484%0.83678%0.781SS**  trans-75.8151.9173.6176.10000110.4
84S26.9Very low30Very low117 Ų117134 Ų13482%0.81878%0.779SS**  trans-123.7152167.9-159.80000112.6
85S26.4Very low30.1Very low103 Ų103134.6 Ų134.672%0.7278%0.778SS**  trans-96.3172.4-174.1-168.20000112.1
86C27.8Very low30Very low92 Ų92133 Ų13362%0.62277%0.77SS**  trans-56.6149.6171.254.20000113.2
87H28.7Very low30Very low166 Ų166130.4 Ų130.477%0.76976%0.762SS**  -171.2176.2113.7-96.7-62.7000112.4
88Q28.2Very low30.2Very low180 Ų180132.3 Ų132.384%0.84176%0.758SS**  trans-68.7142.2-166-63.3141.5-19.300113.8G90Q88-G90 PolarHBondContact O-N 3.33Å
89T28.8Very low30.4Very low136 Ų136132.5 Ų132.583%0.83477%0.766SS**  trans-81.596.9164.829.90000111.2
90G27.4Very low29.4Very low73 Ų73132 Ų13275%0.75377%0.771SS**  trans-83.7127.4158.300000110Q88Q88-G90 PolarHBondContact O-N 3.33Å
91Y31.6Very low29.5Very low227 Ų227130.6 Ų130.689%0.8977%0.767SS**  trans-76142.2171.3-84.7-92.7000110.7
92S24.9Very low29.2Very low116 Ų116128.2 Ų128.281%0.81176%0.763SS**  trans-138.4128.6168.6-179.10000108.9
93V29.6Very low29Very low124 Ų124131.9 Ų131.975%0.75276%0.762SS**  trans-135.8135.7172.3175.70000107.7
94Q30.5Very low29.1Very low166 Ų166134.3 Ų134.378%0.77676%0.757SS**  trans-9.6153.4166.3-71173.2-68.100119.7
95N29.4Very low29.4Very low125 Ų125135.2 Ų135.267%0.66875%0.752SS**  cis-153.4174.823.3-14848.9000114.2
96D29.4Very low30.1Very low125 Ų125135.4 Ų135.467%0.66875%0.751SS**  trans-55.1157.4172.8-50.1-78.6000113.2
97N29.2Very low30.3Very low124 Ų124139.2 Ų139.266%0.66376%0.759SS**  -173.8166.258.3-135.2-33.7000116.6
98H32Very low30.3Very low159 Ų159135.2 Ų135.274%0.73676%0.755SS**  trans58.7108.7157-61.4-45.8000123.3
99A30.7Very low30.4Very low107 Ų107135.2 Ų135.288%0.88476%0.76SS**  trans65.7148.1136.900000120.3
100A28.3Very low30.6Very low103 Ų103138.8 Ų138.885%0.85176%0.758SS**  cis-139.4171.29.500000113.7
101S30.6Very low31.2Very low99 Ų99140.6 Ų140.669%0.69276%0.757SS**  trans-88.6155.8-175175.10000114.4
102S28.8Very low31.3Very low89 Ų89136.2 Ų136.262%0.62275%0.749SS**  trans156.7141.2137.3-74.70000112.9
103Y29.8Very low31.4Very low201 Ų201134.6 Ų134.679%0.78875%0.75SS**  cis-150.9137.8-11.3-91.3-62.9000110.7
104Y31.8Very low31.5Very low189 Ų189133.4 Ų133.474%0.74175%0.754SS**  trans12.6127.6146.3-70.4-101.3000121.2
105L32.8Very low32.1Very low136 Ų136131.7 Ų131.771%0.71276%0.757SS**  81.7161.374.2-102.282.1000114.6
106P42Very low32.1Very low106 Ų106130.5 Ų130.569%0.68877%0.765SS**  cis-137174.68.342.9-24.8000118.6
107Q31.6Very low32.7Very low172 Ų172133 Ų13380%0.80478%0.777SS**  trans0.7157.1145.5-76151.8-65.600122
108A27.9Very low32.8Very low83 Ų83136.5 Ų136.569%0.68679%0.789SS**  cis-173.9-168.41.100000112.6
109L30.7Very low32.7Very low179 Ų179133.7 Ų133.794%0.93779%0.788SS**  trans100.4137.7159.7-71.3142000120
110R33Very low33.3Very low211 Ų211134.8 Ų134.880%0.79679%0.785SS**  trans-103.9176.7-179.7-118-167.1-169.6-145.79108.8N112R110-N112 PolarHBondContact NH1-OD1 3.15Å
111P41.3Very low33.5Very low111 Ų111140.4 Ų140.472%0.72179%0.785SS**  cis-151.8172.742.742-19.8000120
112N31.8Very low33.9Very low136 Ų136143 Ų14373%0.72779%0.789SS**  trans24.2126.9149.5-57.10000122.3R110R110-N112 PolarHBondContact NH1-OD1 3.15Å
113G28.4Very low34.3Very low82 Ų82146.6 Ų146.685%0.84580%0.796SS**  trans-171.2146.3157.900000112.4
114A30.6Very low34.6Very low99 Ų99144.6 Ų144.682%0.81880%0.797SS**  trans-158.1169.3174.100000108.5
115P43.9Very low34.9Very low129 Ų129142.5 Ų142.584%0.83880%0.804SS**  cis-125.9-172.7-5.743-28.9000112.8
116A28.9Very low34.7Very low101 Ų101139.9 Ų139.984%0.83580%0.803SS**  trans-169.5160.9147.800000112.5
117L42.7Very low34Very low177 Ų177146.3 Ų146.393%0.92782%0.815SS**  trans-115.2136.1167.4-73.5163.6000108.8
118E31.2Very low33.9Very low197 Ų197142.9 Ų142.992%0.92181%0.81SS**  trans-150.9154.6156.6-158.9159.6-178.200112.1
119S30.5Very low34Very low101 Ų101148 Ų14871%0.70682%0.819SS**PPolyproline II helixtrans-86.2153.7-170.8-63.40000113.4R121S119-R121 PolarHBondContact O-N 3Å
120P42.8Very low34.1Very low129 Ų129150.1 Ų150.184%0.83882%0.817SS**PPolyproline II helixtrans-68.112017628.5-34.4000111.4
121R32.8Very low34.1Very low221 Ų221145.7 Ų145.783%0.83482%0.815SS**PPolyproline II helixtrans-101.9130.2172.5-163.7173.4-171.8137.9-0.8109.1S119S119-R121 PolarHBondContact O-N 3Å
122I38.8Very low33.5Very low153 Ų153148.9 Ų148.979%0.78582%0.82SS**PPolyproline II helixtrans-90.1128.6-179.4-57.7172000108.7I124I122-I124 HydrophobicContact CG2-CG1 4.36Å
123E36.5Very low33.5Very low166 Ų166150.6 Ų150.678%0.77683%0.83SS**  trans-115.5138.7167.6-63.6-167.6165.600109.6
124I36.1Very low33.7Very low158 Ų158154.6 Ų154.681%0.8183%0.827SS**  trans-111.4107.5-175.3-59.3174.1000108.1I122I122-I124 HydrophobicContact CG2-CG1 4.36Å
125T37.5Very low33.9Very low145 Ų145156.2 Ų156.289%0.8983%0.826SS**  trans-100125.2169.717.10000110.4
126A30Very low33.4Very low82 Ų82158.7 Ų158.768%0.67883%0.826SS**  trans-126.4125.5169.600000108.9
127Y26.9Very low33.6Very low240 Ų240157.6 Ų157.694%0.94182%0.817SS**  trans-163.4154.2145.6-108.1-70.2000108.9
128S30.4Very low33Very low100 Ų100155.2 Ų155.270%0.69982%0.816SS**  trans-137.8148.5-17550.80000110.5
129Q29.1Very low32.9Very low190 Ų190149.5 Ų149.589%0.88881%0.81SS**  trans-176.9149134-102163.1-6.100111.6
130Y32.4Very low32.9Very low225 Ų225154.4 Ų154.488%0.88281%0.812SS**  trans-104.8155.4164-93.6-107.9000108.3
131P32.8Very low32.4Very low118 Ų118154 Ų15477%0.76680%0.799SS**  trans-80147.516333.8-32.3000111.4
132E29.9Very low32.3Very low177 Ų177148.7 Ų148.783%0.82779%0.787SS**  trans-94.1168.6163.6-68.9178.8112.700110.5
133D30.5Very low32.1Very low173 Ų173148.1 Ų148.193%0.92578%0.781SS**  trans-143.3130.7149.3-121.8-25.9000108.2
134E34.1Very low32.1Very low166 Ų166146.7 Ų146.778%0.77678%0.778SS**  trans-97.7156.5-175.5-64.3-179.691.900112.4
135V33.8Very low32Very low132 Ų132145 Ų14580%0.877%0.769SS**  trans-143.6100.8148.6-177.70000111.2
136E33.4Very low31.7Very low181 Ų181146.6 Ų146.685%0.84676%0.763SS**  trans49.1153.7133.7-62.9-161.3126.300123.3
137A33.9Very low31.8Very low78 Ų78153.7 Ų153.765%0.64577%0.773SS**  cis-171.9174.3-20.500000110.8
138S29.8Very low31.8Very low128 Ų128145.8 Ų145.890%0.89576%0.764SS**  trans68.4129.3176.676.90000115.6
139G29Very low31.8Very low77 Ų77147.6 Ų147.679%0.79477%0.771SS**  cis170.1169.5-3.500000108.3
140R31.4Very low32.2Very low203 Ų203146.2 Ų146.277%0.76677%0.769SS**  cis-159.4175-5-139.6166.4158.3-114.9-24.9104.9
141E31.7Very low32Very low120 Ų120141.4 Ų141.456%0.56177%0.769SS**  cis-162169.719.8-157.2142.5160.700109.9
142D30.4Very low32.1Very low110 Ų110143 Ų14359%0.58877%0.769SS**  trans29.3139.1149.9-74.725.3000123.7
143H34.9Very low32.3Very low141 Ų141140.6 Ų140.665%0.65377%0.766SS**  cis-172.4158.4-7.9-124.214.5000111.2
144I36.5Very low32.3Very low137 Ų137137.8 Ų137.870%0.70376%0.756SS**  trans66.7131.5145.1-70.5170.2000118.2
145I34.1Very low32Very low122 Ų122137.2 Ų137.263%0.62676%0.757SS**  cis-161.3143.2-2.1-124.8176.4000112.3
146K31.7Very low32.1Very low178 Ų178136.3 Ų136.377%0.77475%0.752SS**  trans29.4153140.8-60.2165.5-169.4170.30122
147R31.5Very low32.1Very low231 Ų231135.3 Ų135.387%0.87275%0.752SS**  cis174.3131.6-10.1172.6-167.5-151.7-178.68.2111.5
148G27.4Very low32.8Very low74 Ų74137 Ų13776%0.76376%0.757SS**  trans71.8-178.6159.100000117.3
149V28.8Very low32.8Very low138 Ų138137.9 Ų137.984%0.83675%0.751SS**  cis-149.3153.9-3.4-172.60000109.1
150N38Very low33.2Very low161 Ų161139.3 Ų139.386%0.86174%0.744SS**  trans-84.5145.2175.1-54.9-24.8000112.7
151S29.2Very low33.2Very low125 Ų125137 Ų13787%0.87475%0.747SS**  trans-159.5168.2162.3-159.80000113.3
152I34.8Very low33.1Very low150 Ų150135 Ų13577%0.76976%0.758SS**  trans-142.1155-165.9-76174000110.8
153V33.5Very low33.1Very low127 Ų127140.5 Ų140.577%0.7777%0.772SS**  trans74.3138.8168.6148.60000114.5
154T31.1Very low33.2Very low115 Ų115143.1 Ų143.171%0.70678%0.776SS**  -163.5148.955.3-340000115.7
155L27.6Very low33Very low153 Ų153142.5 Ų142.580%0.80178%0.775SS**  trans9.8120.7155.3-54.3169.6000126.2
156T36.4Very low33.9Very low113 Ų113142.4 Ų142.469%0.69378%0.782SS**  49139.5118.4-5.10000127.8
157L32Very low34.1Very low160 Ų160138.9 Ų138.984%0.83878%0.78SS**  trans79.2158.2154.5-65-172.3000120.5
158P49.7Very low34.1Very low115 Ų115133.4 Ų133.475%0.74778%0.776SS**  cis-135.3-171.2-15.533.3-10.4000116.9
159N29.2Very low34.2Very low146 Ų146137 Ų13778%0.78178%0.777SS**  trans-14.7165.1159.9-128.89.8000120.7
160V36.9Very low34.3Very low106 Ų106135.7 Ų135.764%0.64277%0.773SS**  cis-162.6169.347.9-138.80000115.8
161D32.3Very low34.7Very low156 Ų156133.8 Ų133.883%0.83477%0.77SS**  trans79.1142.8150.7-66.5-42.6000123.3
162G30Very low34.7Very low77 Ų77131.9 Ų131.979%0.79476%0.762SS**  trans179-17.6178.400000126
163Y29.6Very low34.5Very low225 Ų225130.1 Ų130.188%0.88276%0.763SS**  trans60.5108.9163.6-132.6-98.1000124.4
164R36.7Very low34.3Very low196 Ų196129 Ų12974%0.7476%0.76SS**  trans34.8130.8140.6-101.6-170.8-172.4-107.110.3127.3
165D32.7Very low34.2Very low125 Ų125130.8 Ų130.867%0.66876%0.764SS**  trans62.5161.9131.1-96.3-18.5000122.8
166P53Low34.2Very low119 Ų119128.4 Ų128.477%0.77376%0.76SS**  cis-130.2-171.5-2.141.6-24.1000116.1
167S35.2Very low33.9Very low105 Ų105127.5 Ų127.573%0.73476%0.759SS**  trans-98.4155.3-172.960.10000117.2
168C31.3Very low33.9Very low116 Ų116128.9 Ų128.978%0.78475%0.753SS**  trans-176.4124.7135.7-107.10000117.2
169L31.4Very low33Very low150 Ų150128.8 Ų128.879%0.78576%0.755SS**  trans50.3106.2140.5-56.6173.9000124.3
170S29.2Very low33.1Very low109 Ų109127 Ų12776%0.76275%0.752SS**  57.3168.8120-51.30000122.4
171P48Very low32.7Very low121 Ų121129 Ų12979%0.78676%0.759SS**  cis-136.4179.3-0.644.1-27.1000118
172A28.6Very low32.5Very low86 Ų86126.2 Ų126.271%0.71175%0.752SS**  trans73.4101.7142.900000124.4
173S30.6Very low32.4Very low113 Ų113131.3 Ų131.379%0.7976%0.755SS**  52.6135.3114.2-45.80000125
174S29.7Very low32.7Very low102 Ų102125.3 Ų125.371%0.71375%0.753SS**  128.9122.8122.3-71.80000120.1
175I29.2Very low32.3Very low153 Ų153121.8 Ų121.879%0.78576%0.758SS**  52.2121.4129.1-50.2163000119.8
176S27.3Very low32.1Very low103 Ų103121 Ų12172%0.7276%0.762SS**  174.6126.4106.3-159.70000116.9
177S28.8Very low31Very low95 Ų95124.1 Ų124.166%0.66476%0.76SS**  trans32126.9130.9-37.60000124.6
178R32.3Very low30.9Very low189 Ų189128 Ų12871%0.71377%0.766SS**  36.2129.1124.6-62.7174.1163173.1-5.8120.2
179S30.9Very low31Very low112 Ų112126.6 Ų126.678%0.78376%0.758SS**  165.8158.392.954.50000115.9
180C30.8Very low31.1Very low108 Ų108122.7 Ų122.773%0.7375%0.754SS**  trans50.7109.2150.4-61.90000123.8
181N28.6Very low31.1Very low148 Ų148125.5 Ų125.579%0.79175%0.753SS**  70.2133.8124.6-58.76.9000124
182S28.2Very low30.4Very low99 Ų99128.3 Ų128.369%0.69275%0.749SS**  trans70.9101.8143-64.60000122.5
183E29.5Very low30.5Very low183 Ų183130.2 Ų130.286%0.85575%0.747SS**  53.9113.7123-67.1176.5108.100122.9
184A34.4Very low30.5Very low100 Ų100134.1 Ų134.183%0.82675%0.746SS**  76.6100.412400000122.2
185S28.6Very low30.5Very low121 Ų121135 Ų13585%0.84674%0.743SS**  trans-160.4163.613955.20000107.5
186S28.8Very low30.7Very low109 Ų109134.5 Ų134.576%0.76274%0.742SS**  cis-148.1134.76.531.60000107.6
187Y29.4Very low30.9Very low185 Ų185134.9 Ų134.973%0.72574%0.744SS**  77.8114.479-178.8-89.5000116.4S189Y187-S189 WeakPolarHBondContact OH-CB 3.49Å
188E32.6Very low32Very low185 Ų185134.6 Ų134.686%0.86474%0.74SS**  trans-164.7145146.7-169.9170.1-135.800108.2
189S34.3Very low31.9Very low87 Ų87133.7 Ų133.761%0.60874%0.744SS**  cis-152.4159-45.560.60000108.8Y187Y187-S189 WeakPolarHBondContact OH-CB 3.49Å
190G33.1Very low32Very low68 Ų68135.1 Ų135.170%0.70174%0.743SS**  trans154.8109.6172.600000117.3
191F29.8Very low31.8Very low168 Ų168134.9 Ų134.974%0.73774%0.743SS**  trans-69.4165171.6-69.2-86.2000113.2
192Y33.4Very low32.5Very low180 Ų180133.9 Ų133.971%0.70674%0.744SS**  cis-157.9148.79-112.6-50.9000109.8
193N30Very low32.5Very low127 Ų127140.2 Ų140.268%0.67975%0.753SS**  trans61.2141.8146.5-60.3-18.4000120.5
194Y31Very low32.3Very low195 Ų195139.9 Ų139.977%0.76575%0.751SS**  cis-156164.3-1.8-145.6-102.3000111.7
195D29.8Very low31.8Very low120 Ų120140.5 Ų140.564%0.64275%0.75SS**  trans86.1137154.2-112.1-29.5000124.7
196N33.1Very low33.3Very low142 Ų142140.4 Ų140.476%0.75975%0.746SS**  trans55.676.6162-63.7-60.2000121.9
197S31.6Very low33.2Very low111 Ų111140.4 Ų140.478%0.77675%0.746SS**  trans-80-177.2142.2-138.30000110.2
198P51.6Low33.1Very low89 Ų89138 Ų13858%0.57875%0.75SS**  cis-139.2179.7-7.442.9-25.2000116.1
199Q30.9Very low32.8Very low170 Ų170134.2 Ų134.279%0.79474%0.744SS**  trans47128.1141.6-68.3149-6.100121.2
200N32.2Very low34Very low142 Ų142135.6 Ų135.676%0.75975%0.751SS**  cis79.7101.243.7-173.140.1000116.1
201S28Very low33.9Very low104 Ų104144.7 Ų144.773%0.72776%0.764SS**  trans172.6150.6132.9-77.40000111.3
202P42.8Very low33.8Very low126 Ų126139.5 Ų139.582%0.81876%0.759SS**  trans-140136.1141.535.5-21.5000114.3
203W27.2Very low33.8Very low233 Ų233136.9 Ų136.988%0.88377%0.766SS**  trans-122.8142.4162.1-97.3108.9000109.6
204Q25Very low34Very low175 Ų175135.6 Ų135.682%0.81877%0.768SS**  trans63.6167.4160.2-61.3-168.7-500119.4
205S25.8Very low34.1Very low114 Ų114131 Ų13180%0.79776%0.764SS**  trans-104.1-157.3-167.4-54.30000111.2
206P59.7Low34.3Very low118 Ų118131.9 Ų131.977%0.76677%0.768SS**  -114.7-178.3-98.838.7-23.7000112.9
207S25.3Very low34.5Very low110 Ų110132.1 Ų132.177%0.76977%0.768SS**  163.4153.712856.60000116.2
208V27.3Very low34.4Very low134 Ų134131.2 Ų131.281%0.81276%0.762SS**  trans36.8112.6162.3-1190000123.9
209S27.5Very low33.3Very low105 Ų105132.1 Ų132.173%0.73477%0.769SS**  -13.9173.8128.2-57.60000120.8
210P59.1Low34Very low116 Ų116128.9 Ų128.975%0.75376%0.763SS**  cis-142.4164.4-30.935.7-17.8000116.1
211R30.3Very low34Very low259 Ų259130.7 Ų130.798%0.97777%0.767SS**  trans160.3151.8149.9-93165.3-174.2-150.13.4108.8
212G28.1Very low34.2Very low60 Ų60130 Ų13062%0.61977%0.767SS**  cis163.3151.1-9.500000112.2
213S34.4Very low33.6Very low124 Ų124132.1 Ų132.187%0.86777%0.769SS**  trans62.1147.9170.142.50000119.4
214S32.8Very low33.7Very low101 Ų101123.9 Ų123.971%0.70676%0.757SS**  cis-170.1179.2-18.5570000111.6
215S34Very low34.6Very low97 Ų97122.1 Ų122.168%0.67876%0.761SS**  trans104.2125.5146.5-57.30000118.9
216L34.6Very low34.8Very low140 Ų140121.6 Ų121.673%0.73376%0.763SS**  cis-154.4139.5-18.1-82-176000110.3
217L36.1Very low33.3Very low146 Ų146120.7 Ų120.776%0.76477%0.766SS**  48153.6126.2-51.7-177.5000122.1
218S29.2Very low33.6Very low93 Ų93121.1 Ų121.165%0.6577%0.769SS**  cis-158.9150.3-6.3-109.70000109.1
219C28Very low34.9Very low107 Ų107119.7 Ų119.772%0.72376%0.762SS**  69147.365.5-119.40000113.4
220P46.5Very low34.9Very low103 Ų103122.4 Ų122.467%0.66976%0.763SS**  -145.4152.255.239.5-20.2000119.6
221H32.9Very low33.4Very low180 Ų180125.4 Ų125.483%0.83377%0.766SS**  trans71.6140.9143.3-63.7-7.1000119.6
222A30.5Very low33.7Very low88 Ų88118.1 Ų118.173%0.72776%0.755SS**  cis-158.7-175.8-11.100000108.1
223I31.3Very low34.2Very low171 Ų171121.2 Ų121.288%0.87776%0.764SS**  cis-149.4-166.49.6-157.4161.5000110
224G29.8Very low33.9Very low60 Ų60120.5 Ų120.562%0.61976%0.759SS**  trans-128.4-155.5175.400000113.1
225P42.5Very low33.7Very low139 Ų139123.5 Ų123.590%0.90377%0.768SS**  cis-130.7-170.98.741.5-23.8000115.6
226A29.8Very low33.4Very low103 Ų103123.7 Ų123.785%0.85177%0.769SS**  trans-98.2166.7-163.900000116.9
227A28.9Very low34Very low98 Ų98121.6 Ų121.681%0.8176%0.764SS**  trans-165.6157.2148.800000113.4
228S32.5Very low33.8Very low120 Ų120123 Ų12384%0.83977%0.767SS**  trans-178166.6170.4-810000108.6
229P54.2Low33.7Very low104 Ų104126.7 Ų126.768%0.67578%0.777SS**  cis-130.5-163.5-10.132.8-10.9000113.8
230H28.2Very low33.8Very low162 Ų162124.9 Ų124.975%0.7578%0.776SS**  trans114.9145.3154.7-69.5-78.2000121.1
231H25.8Very low33Very low178 Ų178124.6 Ų124.682%0.82478%0.782SS**  trans67.2125.9158-81.5-73.2000122.7
232S37.2Very low32.7Very low106 Ų106125 Ų12574%0.74179%0.787SS**  trans-78.5155.1151.3-39.80000110.2
233P38.2Very low32.7Very low125 Ų125125 Ų12581%0.81279%0.787SS**  -153.2-177.290.841.4-22.7000117.3
234S29.2Very low32.5Very low109 Ų109125.3 Ų125.376%0.76279%0.785SS**  trans-21.6140.8171.7-44.80000123.6
235N27.8Very low32.6Very low164 Ų164130.5 Ų130.588%0.87779%0.793SS**  trans67.7156.3145.6-82.55.9000123.4
236S29.2Very low32Very low102 Ų102127.4 Ų127.471%0.71379%0.786SS**  trans-64.7171.917955.60000114.9
237P47.3Very low31.7Very low95 Ų95133.3 Ų133.362%0.61779%0.787SS**  cis-158.7178.534.445.7-23.3000122.3
238Q31.6Very low32.5Very low177 Ų177134.2 Ų134.283%0.82778%0.784SS**  trans72.6169.6140.5-84.1165.2-82.600124.5
239I27.4Very low32.3Very low170 Ų170132.7 Ų132.787%0.87278%0.779SS**  trans85134.1172.3-50.1167.6000115.4
240G29.2Very low31Very low68 Ų68136.1 Ų136.170%0.70179%0.786SS**  cis121.3124-17.200000117.3
241A29.2Very low31.9Very low97 Ų97133.3 Ų133.380%0.80278%0.782SS**  trans179.3135.8156.600000118.3
242M26.5Very low32Very low189 Ų189136.4 Ų136.493%0.93179%0.787SS**  trans80.5150.7133.4-76.5-179163.400127.5
243A30.7Very low31.5Very low87 Ų87135 Ų13572%0.71979%0.789SS**  trans67.9118.7172.500000117.8
244E28.4Very low31Very low179 Ų179134.9 Ų134.984%0.83679%0.791SS**  85.8143.651.5-75-167.9157.300114
245E31.9Very low31.1Very low169 Ų169141.5 Ų141.579%0.7980%0.799SS**  cis-149.9168.13.8-142.8-168.6171.500110.9
246G29.1Very low32Very low74 Ų74139 Ų13976%0.76379%0.791SS**  trans159.794.3169.600000118.4
247W24.1Very low32Very low227 Ų227140.9 Ų140.986%0.8679%0.794SS**  trans-100.8174.5171.7-80.7107.5000111
248P45.9Very low31Very low116 Ų116141.4 Ų141.475%0.75380%0.8SS**  cis-146.9-172.425.244.5-23.4000119.2
249A27.4Very low31.4Very low88 Ų88138.9 Ų138.973%0.72780%0.799SS**  trans8480.514900000121.6
250Q27.2Very low31.5Very low176 Ų176135.8 Ų135.882%0.82279%0.792SS**  -19.9170.4128.9-92.6-155.413.800119.3
251P46.6Very low31.7Very low104 Ų104138.2 Ų138.268%0.67580%0.797SS**  cis-147.8177.532.738.8-16.6000120.9
252R27.6Very low31.8Very low243 Ų243139.1 Ų139.192%0.91780%0.798SS**  trans96.9145.8160.1-57.2-174.4179.2-163.90.7118
253G26Very low32Very low77 Ų77133.3 Ų133.379%0.79479%0.786SS**  trans1463.8160.600000120
254S28.7Very low31.9Very low121 Ų121136.3 Ų136.385%0.84680%0.795SS**  trans-56.4134.5-17454.70000115.9
255R32.2Very low31.8Very low249 Ų249131 Ų13194%0.9479%0.789SS**  trans-141.5140.9157.1-81.4-161.9172.3-156.7-1.2112.4
256P46.8Very low31.7Very low110 Ų110126.8 Ų126.871%0.71479%0.79SS**  trans-119.9-166.6177.844.3-34.6000113.7
257N27.3Very low31.5Very low142 Ų142127 Ų12776%0.75979%0.792SS**  trans85.6119.8151.6-73.24.5000121.9
258S28Very low31.7Very low107 Ų107123.2 Ų123.275%0.74879%0.789SS**  trans77.3155.4130.1-62.10000120.9
259P40.2Very low31.1Very low124 Ų124122.9 Ų122.981%0.80579%0.79SS**  cis-130-176.6-17.132.8-12.5000114.6
260S29.3Very low31.1Very low104 Ų104122.3 Ų122.373%0.72779%0.792SS**  trans-69.2159.6170.854.20000115.6
261C32.8Very low31.1Very low120 Ų120117.5 Ų117.581%0.81179%0.789SS**  179.8148.7126.5-94.60000109.3
262S31.1Very low30.2Very low116 Ų116121.9 Ų121.981%0.81180%0.803SS**  cis-173.8140-1646.90000107.6
263G29.9Very low30.3Very low66 Ų66113.4 Ų113.468%0.6879%0.791SS**  cis167.7170.4-4.500000110
264V29.1Very low30.4Very low150 Ų150118.9 Ų118.991%0.90979%0.793SS**  trans60.5111.4165.9-168.90000116.2
265G27.5Very low30.4Very low69 Ų69124 Ų12471%0.71179%0.794SS**  cis96.8123.50.200000114.4
266G28.1Very low30.2Very low79 Ų79120.6 Ų120.681%0.81479%0.786SS**  trans83126.1175.800000114
267G26Very low29.2Very low79 Ų79124.8 Ų124.881%0.81479%0.789SS**  cis92.7123.4-200000114.3
268N28.9Very low29.1Very low148 Ų148122.1 Ų122.179%0.79178%0.781SS**  trans-148.4110.7160.6-140.78.9000106
269S31.7Very low29.1Very low109 Ų109125.8 Ų125.876%0.76278%0.784SS**  74.6136.8101.4-65.60000114.2
270G28.3Very low28.4Very low76 Ų76125.2 Ų125.278%0.78478%0.783SS**  cis115.2158.413.200000111
271G26.2Very low28.2Very low74 Ų74123.1 Ų123.176%0.76378%0.778SS**  trans84.890.5-172.700000111.7
272M29.3Very low27.9Very low197 Ų197123.4 Ų123.497%0.9778%0.781SS**  57.793.961.3-165.9159.656.500112.4
273G29.7Very low27.7Very low64 Ų64122.6 Ų122.666%0.6678%0.776SS**  trans-154.122-160.100000121
274K27.5Very low27.7Very low192 Ų192129.6 Ų129.684%0.83578%0.783SS**  trans34.2118.3160.4-57.6178.1-178178.50119.6
275R29Very low27.6Very low230 Ų230130 Ų13087%0.86878%0.775SS**  trans161.8134136.3-90.4157-74.6-164.91108.8
276K28.1Very low27.5Very low177 Ų177134.2 Ų134.277%0.7778%0.777SS**  cis90.410847.4-171.5-168.9-179.5-1750111.8
277Y24.5Very low27.3Very low197 Ų197135.5 Ų135.577%0.77377%0.769SS**  trans47.8110.4157.9-73.1-107.6000117.4
278S26.9Very low27.3Very low86 Ų86136.7 Ų136.760%0.60176%0.764SS**  76.7171.879.781.30000115.2
279F27.5Very low27Very low184 Ų184135.7 Ų135.781%0.80777%0.767SS**  trans81.6113.9-172.8-65.2-85.1000113.7
280S25.9Very low27.5Very low112 Ų112136 Ų13678%0.78377%0.77SS**  94.6144.953.573.40000112.1
281G24.7Very low28.1Very low60 Ų60137.5 Ų137.562%0.61977%0.766SS**  cis148.8164.31.400000110.9
282S26.8Very low28.2Very low126 Ų126140.8 Ų140.888%0.88177%0.766SS**  trans62.6145.9-178.566.70000115.1
283S27.1Very low28Very low100 Ų100139.9 Ų139.970%0.69976%0.759SS**  cis-141.5156.340.552.80000116.2
284Y28.8Very low28.4Very low212 Ų212142.1 Ų142.183%0.83177%0.765SS**  trans17.1143.6140.2-59.7-82.5000119.7
285Q26.9Very low28.7Very low160 Ų160139 Ų13975%0.74876%0.764SS**  cis-167146.433.7-144.81658.200114
286Q26Very low28.6Very low157 Ų157134.1 Ų134.173%0.73476%0.76SS**  trans47.8133.9146.1-80.4-169.7-800126.1
287T24.5Very low29.5Very low106 Ų106131 Ų13165%0.6576%0.758SS**  trans71.5108.2134.657.30000123.8
288S24.3Very low29.6Very low103 Ų103127.4 Ų127.472%0.7276%0.762SS**  74.3131.1109.7-51.80000123
289C24Very low29.6Very low127 Ų127127.9 Ų127.986%0.85877%0.765SS**  trans70.4127.2152.8-63.80000119.7
290S41.5Very low29.7Very low117 Ų117129.1 Ų129.182%0.81877%0.773SS**  trans-61.3157.1162.4-41.10000111.2
291P41.5Very low29.9Very low107 Ų107127.5 Ų127.570%0.69577%0.774SS**  -153155.196.539.5-22.7000117.6
292N27.3Very low30Very low143 Ų143130.3 Ų130.377%0.76578%0.784SS**  trans65.3158.5137.3-71-20.3000124.1
293Q24.5Very low30.9Very low177 Ų177129 Ų12983%0.82777%0.773SS**  trans75.4102.3154.4-77163.944.700120.3
294S38.5Very low31.2Very low112 Ų112135 Ų13578%0.78378%0.78SS**  trans-72.6152145.754.40000112.2
295P33.5Very low31.2Very low125 Ų125131 Ų13181%0.81278%0.777SS**  trans-125.2139.2152.330.1-15.2000114.9
296T28.5Very low31.4Very low129 Ų129127.9 Ų127.979%0.79177%0.773SS**  trans-68.9-171.7163.252.40000112.6
297P46.5Very low31.5Very low110 Ų110127 Ų12771%0.71478%0.778SS**  cis-132.1179.1-16.624.6-1.8000114.4
298S25.3Very low32Very low123 Ų123126.7 Ų126.786%0.8678%0.776SS**  -143.9147.2129.675.20000110.2
299S27.6Very low32.3Very low95 Ų95127.6 Ų127.666%0.66477%0.773SS**  trans-165.4128.7-168.957.50000113.4
300H30.6Very low32.9Very low210 Ų210129.3 Ų129.397%0.97277%0.769SS**  trans-166.4144.5154.4-95-69.2000109.2
301G28.4Very low32.5Very low79 Ų79130 Ų13081%0.81476%0.763SS**  trans119.552.9167.100000118.3
302S27.8Very low32.1Very low118 Ų118135.7 Ų135.783%0.82577%0.771SS**  trans-75.6166.4154.2-71.40000110.3
303P45Very low32.2Very low99 Ų99135.1 Ų135.164%0.64377%0.767SS**  cis-143.8170.420.243.4-25.7000118.6
304R33.2Very low33Very low226 Ų226133.2 Ų133.285%0.85377%0.768SS**  trans68.3135153.6-73159.9-172.8170.11.8116.5
305V30.1Very low33Very low128 Ų128133.4 Ų133.478%0.77676%0.76SS**  cis-140.6124.94.61760000105.5
306S30.9Very low33.7Very low95 Ų95134 Ų13466%0.66476%0.761SS**  cis73.287.647.6-51.50000115
307V28.7Very low34.7Very low137 Ų137132 Ų13283%0.8375%0.746SS**  149.4138.1127.7160.20000112.1
308T33Very low34.7Very low101 Ų101134.4 Ų134.462%0.6275%0.748SS**  -166.3161-56.117.10000110
309D31.1Very low35.7Very low122 Ų122138.7 Ų138.765%0.65275%0.746SS**  trans62.9103.5140.5-54.2-7.1000122
310E36.6Very low37Very low163 Ų163137.7 Ų137.776%0.76274%0.736SS**  14141.2123.174.3-159.7162.400121.2
311N33.1Very low37.9Very low132 Ų132132.3 Ų132.371%0.70672%0.715SS**  -170.7156.498.1-132.1-11.7000114.3
312W34.5Very low39.4Very low225 Ų225134.4 Ų134.485%0.85271%0.707SS**  trans-26.7127.4-175-57.793.7000121.3
313L29.2Very low40.9Very low132 Ų132131.8 Ų131.869%0.69169%0.692SS**  trans-156.7141.1137-116.3173.4000112.1
314T41.2Very low41.9Very low136 Ų136131.4 Ų131.483%0.83468%0.684SS**  trans-71.9130.8179.4-6.40000111.7
315N37.6Very low43.3Very low116 Ų116124.3 Ų124.362%0.6267%0.665SS**  trans-153.4116.9171.9-154.7-45.3000114.6N317N315-N317 VanDerWaalsContact C-N 3.3Å; N315-N317 PolarHBondContact O-N 3.25Å; N315-N317 PolarHBondContact OD1-ND2 2.85Å
316T48.8Very low44.9Very low137 Ų137121 Ų12184%0.8465%0.652SS**THydrogen-bonded Turntrans-83.356.8-174.9-43.70000112.7
317N49.8Very low46.3Very low88 Ų88118.8 Ų118.847%0.47164%0.639SS.*THydrogen-bonded Turntrans-137.25.7-174.1-83.6-70.6000116.7N315 T320 N321N315-N317 VanDerWaalsContact C-N 3.3Å; N315-N317 PolarHBondContact O-N 3.25Å; N315-N317 PolarHBondContact OD1-ND2 2.85Å; N317-T320 PolarHBondContact O-OG1 3.45Å; N317-N321 PolarHBondContact O-ND2 3.46Å; N317-N321 VanDerWaalsContact O-ND2 3.09Å
318Q46.7Very low47.8Very low161 Ų161117 Ų11775%0.75262%0.624SS**Hα-helixtrans-76.8-39.8-176.7-67.9-175.6-10.200113.4T320 N321 L322Q318-T320 VanDerWaalsContact C-N 3.34Å; Q318-T320 PolarHBondContact O-N 2.91Å; Q318-N321 PolarHBondContact O-N 3.5Å; Q318-L322 PolarHBondContact O-N 2.92Å
319Y46.4Very low49Very low212 Ų212117.5 Ų117.583%0.83162%0.623SS**Hα-helixtrans-64.8-35.8175.7-80.1-82.9000112.9N321 L322 A323Y319-N321 PolarHBondContact O-N 2.94Å; Y319-L322 PolarHBondContact O-N 2.71Å; Y319-A323 PolarHBondContact O-N 2.91Å; Y319-A323 VanDerWaalsContact O-N 3.07Å
320T55Low50.5Low74 Ų74115.3 Ų115.345%0.45462%0.622SS.*Hα-helixtrans-62.5-42.4179-110000111.9N317 Q318 I324N317-T320 PolarHBondContact O-OG1 3.45Å; Q318-T320 VanDerWaalsContact C-N 3.34Å; Q318-T320 PolarHBondContact O-N 2.91Å; T320-I324 WeakPolarHBondContact O-CD1 3.41Å; T320-I324 VanDerWaalsContact O-CG1 3.27Å; T320-I324 WeakPolarHBondContact O-CG1 3.36Å; T320-I324 PolarHBondContact O-N 3.13Å; T320-I324 VanDerWaalsContact O-N 3.12Å
321N48.3Very low51.1Low98 Ų98114.4 Ų114.452%0.52462%0.621SS.*Hα-helixtrans-70.2-40.3179.5-83.5-88.3000112.5N317 Q318 Y319 A323 I324 V325N317-N321 PolarHBondContact O-ND2 3.46Å; N317-N321 VanDerWaalsContact O-ND2 3.09Å; Q318-N321 PolarHBondContact O-N 3.5Å; Y319-N321 PolarHBondContact O-N 2.94Å; N321-A323 PolarHBondContact O-N 2.86Å; N321-I324 PolarHBondContact O-N 3.01Å; N321-V325 WeakPolarHBondContact O-CG2 3.29Å; N321-V325 PolarHBondContact O-N 3.08Å
322L61.3Low51.6Low123 Ų123113.2 Ų113.264%0.64462%0.619SS**Hα-helixtrans-63.3-40.5175.8-77.9167000112.1Q318 Y319 V325 A326Q318-L322 PolarHBondContact O-N 2.92Å; Y319-L322 PolarHBondContact O-N 2.71Å; L322-V325 PolarHBondContact O-N 2.83Å; L322-A326 WeakPolarHBondContact O-CB 3.17Å; L322-A326 PolarHBondContact O-N 2.76Å
323A58.5Low52.1Low62 Ų62109 Ų10951%0.51262%0.618SS.*Hα-helixtrans-63.9-38.8174.900000112.6Y319 N321 A326 A327Y319-A323 PolarHBondContact O-N 2.91Å; Y319-A323 VanDerWaalsContact O-N 3.07Å; N321-A323 PolarHBondContact O-N 2.86Å; A323-A326 PolarHBondContact O-N 3.08Å; A323-A327 WeakPolarHBondContact O-CB 3.16Å; A323-A327 PolarHBondContact O-N 3.34Å
324I66.7Low52.4Low91 Ų91110.9 Ų110.947%0.46763%0.629SS.*Hα-helixtrans-67.3-44176.6-70.1164.3000111.2T320 N321 A327 I328T320-I324 WeakPolarHBondContact O-CD1 3.41Å; T320-I324 VanDerWaalsContact O-CG1 3.27Å; T320-I324 WeakPolarHBondContact O-CG1 3.36Å; T320-I324 PolarHBondContact O-N 3.13Å; T320-I324 VanDerWaalsContact O-N 3.12Å; N321-I324 PolarHBondContact O-N 3.01Å; I324-A327 PolarHBondContact O-N 2.83Å; I324-I328 HydrophobicContact CG2-CD1 3.82Å; I324-I328 VanDerWaalsContact O-CG1 3.31Å; I324-I328 WeakPolarHBondContact O-CG1 3.39Å; I324-I328 PolarHBondContact O-N 2.89Å
325V61.6Low52Low77 Ų77107.7 Ų107.747%0.46762%0.623SS.*Hα-helixtrans-64.7-40176.2172.60000111.4N321 L322 I328 N329N321-V325 WeakPolarHBondContact O-CG2 3.29Å; N321-V325 PolarHBondContact O-N 3.08Å; L322-V325 PolarHBondContact O-N 2.83Å; V325-I328 PolarHBondContact O-N 3.27Å; V325-N329 WeakPolarHBondContact O-CB 3.47Å; V325-N329 VanDerWaalsContact O-CG 3.29Å; V325-N329 PolarHBondContact O-N 2.85Å
326A63.8Low51.8Low59 Ų59109.3 Ų109.349%0.48863%0.629SS.*Hα-helixtrans-63.1-40.817400000112.3L322 A323 A330L322-A326 WeakPolarHBondContact O-CB 3.17Å; L322-A326 PolarHBondContact O-N 2.76Å; A323-A326 PolarHBondContact O-N 3.08Å; A326-A330 WeakPolarHBondContact O-CB 3.47Å; A326-A330 PolarHBondContact O-N 2.97Å
327A61.3Low51Low49 Ų49107.8 Ų107.841%0.40563%0.63SS.*Hα-helixtrans-66.8-38.517600000112.8A323 I324 A330 L331A323-A327 WeakPolarHBondContact O-CB 3.16Å; A323-A327 PolarHBondContact O-N 3.34Å; I324-A327 PolarHBondContact O-N 2.83Å; A327-A330 PolarHBondContact O-N 3.38Å; A327-L331 WeakPolarHBondContact O-CD1 3.16Å; A327-L331 VanDerWaalsContact O-CG 3.29Å; A327-L331 WeakPolarHBondContact O-CG 3.36Å; A327-L331 PolarHBondContact O-N 3.48Å
328I59.4Low50.3Low99 Ų99108.3 Ų108.351%0.50863%0.633SS.*Hα-helixtrans-64.8-46.5175.7-70.2165000110.5I324 V325 A330 L331I324-I328 HydrophobicContact CG2-CD1 3.82Å; I324-I328 VanDerWaalsContact O-CG1 3.31Å; I324-I328 WeakPolarHBondContact O-CG1 3.39Å; I324-I328 PolarHBondContact O-N 2.89Å; V325-I328 PolarHBondContact O-N 3.27Å; I328-A330 PolarHBondContact O-N 3.27Å; I328-L331 PolarHBondContact O-N 3.03Å
329N58.8Low49.7Very low111 Ų111108.5 Ų108.559%0.59464%0.636SS**Hα-helixtrans-64.8-25.7176.9-68.5-9.5000113V325 L331 T332V325-N329 WeakPolarHBondContact O-CB 3.47Å; V325-N329 VanDerWaalsContact O-CG 3.29Å; V325-N329 PolarHBondContact O-N 2.85Å; N329-L331 VanDerWaalsContact C-N 3.32Å; N329-T332 PolarHBondContact O-OG1 3.28Å
330A61Low48.9Very low77 Ų77103.3 Ų103.364%0.63664%0.636SS**THydrogen-bonded Turntrans-81.7-5.5174.900000114.1A326 A327 I328A326-A330 WeakPolarHBondContact O-CB 3.47Å; A326-A330 PolarHBondContact O-N 2.97Å; A327-A330 PolarHBondContact O-N 3.38Å; I328-A330 PolarHBondContact O-N 3.27Å
331L49.8Very low47.9Very low143 Ų143108.2 Ų108.275%0.74965%0.654SS**SBendtrans-109.8-3.1-178.5-72.2170.1000113.8A327 I328 N329 T333A327-L331 WeakPolarHBondContact O-CD1 3.16Å; A327-L331 VanDerWaalsContact O-CG 3.29Å; A327-L331 WeakPolarHBondContact O-CG 3.36Å; A327-L331 PolarHBondContact O-N 3.48Å; I328-L331 PolarHBondContact O-N 3.03Å; N329-L331 VanDerWaalsContact C-N 3.32Å; L331-T333 PolarHBondContact O-N 2.89Å
332T44.3Very low47Very low108 Ų108107 Ų10766%0.66366%0.664SS**  trans-9392.6172.7470000111.5N329N329-T332 PolarHBondContact O-OG1 3.28Å
333T45.7Very low46.3Very low135 Ų135107.4 Ų107.483%0.82867%0.666SS**  trans-128.1110.6167.453.80000110.7L331L331-T333 PolarHBondContact O-N 2.89Å
334D35.3Very low45.1Very low172 Ų172109.8 Ų109.892%0.9268%0.676SS**  trans-149.1130.7172.7-173.322.3000106.9
335G32.6Very low43.7Very low69 Ų69111.8 Ų111.871%0.71169%0.686SS**  cis-134.8-164.94.800000114.4
336M32.2Very low42.2Very low151 Ų151116.6 Ų116.674%0.74470%0.701SS**  trans-93137.4-155.763.4-166.1168.800117.7
337A32.4Very low40.7Very low104 Ų104119.9 Ų119.986%0.8672%0.716SS**  trans-178.8154.9156.700000108.9
338D34.6Very low39.3Very low100 Ų100129 Ų12954%0.53574%0.739SS.*  cis-153.2-177.6-30.7-170.717000107.4
339M35.5Very low38.1Very low164 Ų164133.8 Ų133.881%0.80876%0.756SS**  trans-72.3145-175.9-59.9-172.9-179.700115.7
340A28.3Very low36.8Very low103 Ų103134.3 Ų134.385%0.85176%0.764SS**  -171.7151.1119.900000114.3
341E33.9Very low35.4Very low178 Ų178139.4 Ų139.483%0.83278%0.777SS**  trans-63.1155.8-178.2-150.573.9-156.900115.9
342G29.5Very low34.3Very low71 Ų71139.9 Ų139.973%0.73278%0.779SS**  trans17176.1167.900000118.1
343I46.2Very low33.5Very low132 Ų132142.1 Ų142.168%0.67779%0.787SS**  trans-97.1140.4-174-58.5167.9000113.6I345I343-I345 HydrophobicContact CG2-CG1 4.39Å
344P34.3Very low32.8Very low113 Ų113143.4 Ų143.473%0.73479%0.788SS**  trans-124.2120.8134.834.2-25.3000111.4
345I36.3Very low32.3Very low132 Ų132140.6 Ų140.668%0.67778%0.782SS**  57.686.876.2-59.6171.5000109.7I343I343-I345 HydrophobicContact CG2-CG1 4.39Å
346K30.1Very low32.5Very low178 Ų178143.6 Ų143.677%0.77479%0.789SS**  -164.5132.573.6-102.4148.9-177.4173.40114.1
347T33Very low32.2Very low129 Ų129140.7 Ų140.779%0.79178%0.784SS**  trans36.6140.5136.464.40000120.7
348R33Very low32Very low239 Ų239143.7 Ų143.790%0.90278%0.782SS**  cis-166103.141.9-168.7-179.3-174.61761.7115.1
349K32.8Very low31.5Very low200 Ų200143.7 Ų143.787%0.8779%0.789SS**  trans-168.4155.4154.3-113.5179.1-179177.20107
350T31.6Very low31.3Very low122 Ų122143.3 Ų143.375%0.74879%0.79SS**  cis-138.3-169.510.9-35.10000109.7
351M31.8Very low31.2Very low185 Ų185147.9 Ų147.991%0.91179%0.791SS**  trans-63.7158.5168-55.9-157.6-51.900111.5
352L26.4Very low31Very low152 Ų152144.7 Ų144.780%0.79678%0.783SS**  trans-138.6123.5178.3-167134.9000109.5
353D28.3Very low31.1Very low156 Ų156148.8 Ų148.883%0.83478%0.783SS**  trans-73.1146176.6-80.7-61.5000111.6
354L30.2Very low31.2Very low162 Ų162148 Ų14885%0.84879%0.787SS**  trans-105.3110.7-178.3-74.4170.6000111.9
355S24.6Very low30.9Very low112 Ų112146.1 Ų146.178%0.78379%0.787SS**  trans-121.3117.1168.8-67.20000109.3
356P36.3Very low30.7Very low132 Ų132143.4 Ų143.486%0.85779%0.792SS**  trans-97.4119.8-176.233.8-30.4000112.8
357S27.7Very low30.8Very low91 Ų91144.2 Ų144.264%0.63680%0.799SS**  trans-151.3111.3168.263.90000114.3
358M26.7Very low30.8Very low166 Ų166144.6 Ų144.682%0.81880%0.796SS**  trans56111.8144.171.7-138.1171.200123.3
359S25.2Very low31Very low100 Ų100140.6 Ų140.670%0.69979%0.792SS**  84.1122.9117.367.40000124.5
360L30.6Very low30.7Very low157 Ų157134.3 Ų134.382%0.82278%0.784SS**  trans76.9109.4130.8-71.6169.2000123.3
361K26.2Very low31.2Very low199 Ų199134.2 Ų134.287%0.86579%0.785SS**  trans-167.1140.3131.8-108.7179.3177.1-176.80108.4
362V30.8Very low31.2Very low111 Ų111135.1 Ų135.167%0.67379%0.787SS**  cis71.5119.123.6-170.30000111.1
363E30.7Very low31.4Very low157 Ų157131.7 Ų131.773%0.73479%0.789SS**  cis-155.4-157.718.6-123.7-122.6118.500107.8
364P48.7Very low31.5Very low116 Ų116133.1 Ų133.175%0.75379%0.79SS**  cis-112-172.2-31.79.416.1000111.6
365G28Very low31.7Very low72 Ų72132.8 Ų132.874%0.74279%0.788SS**  cis164.7167.3-3.100000111.2
366G31.2Very low31.9Very low76 Ų76138.2 Ų138.278%0.78479%0.792SS**  trans161.8136.4175.500000114.7
367E32.5Very low31.7Very low194 Ų194140.1 Ų140.191%0.90779%0.789SS**  trans-77.3171.1-172.6-53.4131.912500113
368D32.7Very low31.7Very low138 Ų138143.9 Ų143.974%0.73880%0.796SS**  cis-159.9173.416.3-163.78.4000112.5
369L37.1Very low31.7Very low154 Ų154143 Ų14381%0.80679%0.79SS**  trans72.5133.7161.4-53.8-177.6000121.9
370G26.8Very low32.1Very low68 Ų68147.6 Ų147.670%0.70179%0.794SS**  trans-109.2-151.9159.400000111.7
371P42.8Very low32.4Very low121 Ų121146 Ų14679%0.78679%0.792SS**  cis-136.7-179.412.644.3-27.3000116.6
372E31.5Very low32.7Very low204 Ų204140.8 Ų140.895%0.95378%0.782SS**  trans46.5141.7154.3-71.4-163.9134.500124
373G32Very low32.8Very low80 Ų80146.4 Ų146.483%0.82579%0.791SS**  trans164.2102.8165.300000113.2
374E29.9Very low32.9Very low185 Ų185146.6 Ų146.686%0.86480%0.796SS**  trans-68.9153.8169.2-63.3-176.395.800111.7
375L34.5Very low32.1Very low155 Ų155147 Ų14781%0.81280%0.801SS**  177.4136.8115.8-93.7168.1000115.1
376R28.3Very low32.2Very low226 Ų226151.1 Ų151.185%0.85381%0.806SS**  trans22.5116.8144.5-65.6-70-178.4133.7-0.1121.7
377H31.8Very low32.1Very low173 Ų173157.1 Ų157.180%0.80181%0.81SS**  trans-20.7133.8132.5-173.9100.3000117
378E27.9Very low32Very low169 Ų169156.9 Ų156.979%0.7981%0.806SS**  trans-164.6173.8154.7-110.4-57.8134.800111.3
379E27.2Very low31.8Very low148 Ų148157.6 Ų157.669%0.69281%0.805SS**  trans-111.7137.8-149-175.6172.6-16100116.6
380Y34.1Very low31.3Very low197 Ų197157.3 Ų157.377%0.77380%0.804SS**  trans61.9150.6164.5-97.9-94.7000118.9
381P35.7Very low31.5Very low122 Ų122163.7 Ų163.779%0.79281%0.808SS**  -149.6154.187.339.1-20.2000118.7
382S32.3Very low30.8Very low91 Ų91164.1 Ų164.164%0.63681%0.813SS**  trans-25.2138.1158.2-630000121
383R34.3Very low31Very low228 Ų228157.9 Ų157.986%0.8680%0.804SS**  trans71.7112.3139.1-66.8178.5-174.4-159.91.5121.2
384L32.8Very low30.9Very low161 Ų161157.4 Ų157.484%0.84380%0.799SS**  5099.9125.7-60173.4000118.8
385S29.9Very low31.2Very low124 Ų124158.6 Ų158.687%0.86780%0.802SS**  trans-110.9138.8151.150.50000110.1
386L30.5Very low31.5Very low160 Ų160159 Ų15984%0.83880%0.804SS**  trans-86.7158.8-172.1-94.778.6000113.6
387K30.5Very low32Very low201 Ų201155.2 Ų155.287%0.87480%0.8SS**  trans72.599.6145.3-171.1-177.9-176.9176.70118
388K29.9Very low32.3Very low189 Ų189151.9 Ų151.982%0.82279%0.792SS**  -147.389.3113.6-165172.2-177.5179.90111.9
389E28.7Very low32.8Very low153 Ų153149.2 Ų149.272%0.71579%0.789SS**  trans-74.4144.1164.8-177.1171.7-156.300109.8Y391E389-Y391 HydrophobicContact CG-CD2 4.46Å
390N25.6Very low33.4Very low148 Ų148150.2 Ų150.279%0.79179%0.794SS**  trans-146.688176.4-159.381.3000109.8
391Y30.9Very low33.7Very low202 Ų202148.5 Ų148.579%0.79279%0.792SS**  trans-98.3119.6-168.4-141.4-76.8000111.2E389E389-Y391 HydrophobicContact CG-CD2 4.46Å
392C28.8Very low34.2Very low130 Ų130147.9 Ų147.988%0.87879%0.789SS**  trans-161.9115.4157.9-142.90000109.2
393G36.1Very low35Very low74 Ų74150.5 Ų150.576%0.76379%0.786SS**  trans-98.7161.9-177.500000113
394G29.7Very low35.3Very low70 Ų70144.9 Ų144.972%0.72278%0.782SS**  trans-16583.3-178.300000114.4
395F35.8Very low36Very low210 Ų210144.2 Ų144.292%0.92177%0.768SS**SBendtrans31.697.6152-76.6-102000118.7
396L39.8Very low36.4Very low164 Ų164143 Ų14386%0.85976%0.759SS**  -177.539.7125.6-99.7173.3000112.5V398L396-V398 PolarHBondContact O-N 2.82Å; L396-V398 VanDerWaalsContact O-N 3.07Å
397D39.3Very low36.6Very low145 Ų145144.5 Ų144.578%0.77576%0.759SS**  trans-76.998.2172.3-162.628.3000109.2
398V38.8Very low36.9Very low104 Ų104140.8 Ų140.863%0.6376%0.755SS**  trans-67.1126.8174.6177.30000107.5L396 Q400L396-V398 PolarHBondContact O-N 2.82Å; L396-V398 VanDerWaalsContact O-N 3.07Å; V398-Q400 PolarHBondContact O-N 2.86Å
399P38.7Very low37Very low112 Ų112139.6 Ų139.673%0.72775%0.75SS**  trans-51.9113.9-179.3-28.135000111H401P399-H401 PolarHBondContact O-N 2.98Å
400Q40.1Very low37.2Very low170 Ų170138.8 Ų138.879%0.79476%0.758SS**  trans-58.5129.2-179.7-64.5-169.51300108.6V398V398-Q400 PolarHBondContact O-N 2.86Å
401H39.5Very low37.7Very low160 Ų160140.6 Ų140.674%0.74176%0.755SS**  trans-55.4132.6178.8-68.2-64.9000109.2P399 Y403P399-H401 PolarHBondContact O-N 2.98Å; H401-Y403 PolarHBondContact O-N 2.8Å
402P45.2Very low38.2Very low110 Ų110139.7 Ų139.771%0.71476%0.763SS**SBendtrans-64.4-1.5-174.423.7-33.6000114.5
403Y50.3Low38.8Very low145 Ų145138.2 Ų138.257%0.56975%0.754SS**  trans-125.991.3176.7-52.9-69.9000109.7H401H401-Y403 PolarHBondContact O-N 2.8Å
404S39.8Very low39.7Very low111 Ų111138.5 Ų138.578%0.77674%0.743SS**  trans-79.4122.6159.868.20000108.3S406S404-S406 PolarHBondContact O-N 2.87Å
405W47.9Very low41.7Very low147 Ų147140.6 Ų140.656%0.55775%0.746SS**  trans-64.6102.4165.1-92.9-102.7000106.9K407W405-K407 PolarHBondContact O-N 2.74Å; W405-K407 VanDerWaalsContact O-N 3.14Å
406S38.8Very low44.1Very low98 Ų98134.2 Ų134.269%0.68572%0.721SS**PPolyproline II helixtrans-59.7122.2178.861.40000108.7S404S404-S406 PolarHBondContact O-N 2.87Å
407K33.4Very low46.5Very low192 Ų192127.2 Ų127.284%0.83569%0.686SS**PPolyproline II helixtrans-49.9125.8172.2-68.3-174.7178.4-175.60107.7W405 K409W405-K407 PolarHBondContact O-N 2.74Å; W405-K407 VanDerWaalsContact O-N 3.14Å; K407-K409 PolarHBondContact O-N 3.29Å
408P38.4Very low49Very low122 Ų122122 Ų12279%0.79266%0.663SS**PPolyproline II helixtrans-58.8117.8-171.821.4-32.3000109.5
409K32.2Very low51.5Low164 Ų164117.5 Ų117.571%0.71364%0.635SS**PPolyproline II helixtrans-58.2136.6170.4-67.4176.3-176.9171.80107.3K407 Y411K407-K409 PolarHBondContact O-N 3.29Å; K409-Y411 HydrophobicContact CB-CD2 3.79Å; K409-Y411 HydrophobicContact CB-CE2 4Å; K409-Y411 HydrophobicContact CD-CE2 4.17Å; K409-Y411 PolarHBondContact O-N 2.87Å
410P32.8Very low54Low136 Ų136116.2 Ų116.288%0.88362%0.622SS**  trans-75.262.4-177.832.3-36.9000111.9
411Y35.6Very low56.4Low187 Ų187115.3 Ų115.373%0.73361%0.612SS**  trans-76.5141.9158.1-77.4-92.5000108.3K409 S413K409-Y411 HydrophobicContact CB-CD2 3.79Å; K409-Y411 HydrophobicContact CB-CE2 4Å; K409-Y411 HydrophobicContact CD-CE2 4.17Å; K409-Y411 PolarHBondContact O-N 2.87Å; Y411-S413 VanDerWaalsContact C-N 3.31Å; Y411-S413 PolarHBondContact O-N 2.83Å
412L41.2Very low58.8Low182 Ų182113.9 Ų113.995%0.95361%0.605SS**  trans-65.992.6169.5-69.7163.9000108.2
413S41.8Very low61.1Low99 Ų99110.2 Ų110.269%0.69258%0.579SS**  trans-68.7142-179.345.80000110.8Y411 S415Y411-S413 VanDerWaalsContact C-N 3.31Å; Y411-S413 PolarHBondContact O-N 2.83Å; S413-S415 PolarHBondContact O-N 2.71Å
414P54.4Low63.2Low81 Ų81106.7 Ų106.753%0.52658%0.575SS.*  trans-54.4128.4162.2-21.933.1000108.7L416P414-L416 PolarHBondContact O-N 3.03Å
415S71.1Confident65.8Low114 Ų114103.6 Ų103.680%0.79755%0.553SS**  trans-62112.1-179.244.60000109.9S413S413-S415 PolarHBondContact O-N 2.71Å
416L85.8Confident68.1Low76 Ų76100 Ų10040%0.39855%0.549SS..PPolyproline II helixtrans-58.5139.5-179.1-66.3-177.1000110.6P414 A418 H571P414-L416 PolarHBondContact O-N 3.03Å; L416-A418 PolarHBondContact O-N 3.37Å; L416-H571 HydrophobicContact CD2-CB 4.35Å
417P90.8Very high70.8Confident17 Ų1797.9 Ų97.911%0.1153%0.534CS..PPolyproline II helixtrans-46.1132.2176.2-34.438.1000113.8W421 L423 R569P417-W421 HydrophobicContact CB-CD2 4.18Å; P417-W421 HydrophobicContact CB-CE3 3.58Å; P417-W421 HydrophobicContact CB-CZ3 4.07Å; P417-W421 HydrophobicContact CG-CE3 4.15Å; P417-W421 HydrophobicContact CG-CZ3 4.24Å; P417-L423 HydrophobicContact CB-CD1 3.98Å; P417-L423 HydrophobicContact CB-CD2 4.14Å; P417-L423 HydrophobicContact CB-CG 4.48Å; P417-L423 HydrophobicContact CG-CD1 4.33Å; P417-L423 HydrophobicContact CG-CD2 4.22Å; P417-R569 PolarHBondContact O-NH1 2.82Å
418A91.7Very high73.6Confident36 Ų3692.4 Ų92.430%0.29853%0.532SS..PPolyproline II helixtrans-62.3153.2178.500000111.8L416 D420 W421 R569L416-A418 PolarHBondContact O-N 3.37Å; A418-D420 WeakPolarHBondContact CB-OD1 3.37Å; A418-D420 PolarHBondContact O-N 3.01Å; A418-D420 VanDerWaalsContact O-N 3.15Å; A418-W421 HydrophobicContact CB-CG 4.36Å; A418-W421 WeakPolarHBondContact O-CB 3.38Å; A418-W421 PolarHBondContact O-N 2.94Å; A418-R569 PolarHBondContact O-NH1 3.29Å; A418-R569 PolarHBondContact O-NH2 3.46Å
419L92.4Very high76.2Confident8 Ų891 Ų914%0.04252%0.523CS..THydrogen-bonded Turntrans-68.8-13.6-169.7-59.9170.4000114.2F481 P492 Q515 T518 I520 R569L419-F481 HydrophobicContact CB-CZ 4.28Å; L419-F481 HydrophobicContact CD2-CD1 4.02Å; L419-F481 HydrophobicContact CD2-CE1 3.91Å; L419-F481 HydrophobicContact CD2-CZ 4.46Å; L419-F481 WeakPolarHBondContact O-CZ 3.37Å; L419-P492 HydrophobicContact CB-CG 3.5Å; L419-P492 HydrophobicContact CD1-CG 4.15Å; L419-Q515 HydrophobicContact CD1-CB 4.36Å; L419-T518 HydrophobicContact CD1-CG2 3.96Å; L419-I520 HydrophobicContact CD1-CD1 4.04Å; L419-I520 HydrophobicContact CD1-CG1 4.39Å; L419-I520 HydrophobicContact CD2-CD1 3.7Å; L419-I520 HydrophobicContact CD2-CG1 4.48Å; L419-I520 HydrophobicContact CG-CD1 4.45Å; L419-R569 PolarHBondContact O-NH2 2.91Å
420D90.3Very high79.3Confident86 Ų8684.3 Ų84.346%0.4649%0.494SS..THydrogen-bonded Turntrans-93-7.6173.959.1-17.8000113.9A418 R491A418-D420 WeakPolarHBondContact CB-OD1 3.37Å; A418-D420 PolarHBondContact O-N 3.01Å; A418-D420 VanDerWaalsContact O-N 3.15Å; D420-R491 HydrophobicContact CB-CB 4.34Å; D420-R491 HydrophobicContact CB-CG 3.73Å
421W91.2Very high82.4Confident150 Ų15080 Ų8057%0.56846%0.463SS*.SBendtrans-68.8135.4174.4-70.318000111.4P417 A418 L423 R569 Q583P417-W421 HydrophobicContact CB-CD2 4.18Å; P417-W421 HydrophobicContact CB-CE3 3.58Å; P417-W421 HydrophobicContact CB-CZ3 4.07Å; P417-W421 HydrophobicContact CG-CE3 4.15Å; P417-W421 HydrophobicContact CG-CZ3 4.24Å; A418-W421 HydrophobicContact CB-CG 4.36Å; A418-W421 WeakPolarHBondContact O-CB 3.38Å; A418-W421 PolarHBondContact O-N 2.94Å; W421-L423 PolarHBondContact O-N 2.77Å; W421-R569 PolarHBondContact O-NH2 3.37Å; W421-Q583 PolarHBondContact O-NE2 3.21Å
422Q89.2Confident85.4Confident131 Ų13171.1 Ų71.161%0.61243%0.428SS*.  trans-82.9104.2172.2-67.2179.50.800109.2R488Q422-R488 PolarHBondContact NE2-O 2.65Å
423L93.6Very high88.1Confident32 Ų3266.2 Ų66.217%0.16840%0.401CS..  trans-101.2149.5174.2-58.8171.6000109.9P417 W421 Q583P417-L423 HydrophobicContact CB-CD1 3.98Å; P417-L423 HydrophobicContact CB-CD2 4.14Å; P417-L423 HydrophobicContact CB-CG 4.48Å; P417-L423 HydrophobicContact CG-CD1 4.33Å; P417-L423 HydrophobicContact CG-CD2 4.22Å; W421-L423 PolarHBondContact O-N 2.77Å; L423-Q583 HydrophobicContact CB-CB 3.68Å; L423-Q583 HydrophobicContact CD1-CB 4.44Å
424P94.6Very high90.8Very high72 Ų7262.3 Ų62.347%0.46837%0.372SS..  trans-77158.5178.433.8-36.5000111.9C426 L582 Q583P424-C426 WeakPolarHBondContact CB-O 3.32Å; P424-L582 CarbonylContact O-C 3.54Å; P424-L582 VanDerWaalsContact O-CA 3.25Å; P424-L582 WeakPolarHBondContact O-CA 3.45Å; P424-Q583 CarbonylContact C-O 3.53Å; P424-Q583 PolarHBondContact O-N 3.02Å
425S95.6Very high92.8Very high46 Ų4662.2 Ų62.232%0.32237%0.365SS..SBendtrans-76.4-23.8172.758.70000113.1L432 Q583S425-L432 PolarHBondContact O-N 3.25Å; S425-Q583 WeakPolarHBondContact CA-O 3.46Å; S425-Q583 WeakPolarHBondContact CB-O 3.47Å; S425-Q583 PolarHBondContact N-O 3.28Å
426C95.7Very high94.1Very high70 Ų7058.9 Ų58.947%0.47334%0.339SS..EExtended strand (participates in β ladder)trans-130.6152.3179.860.80000112.8P424 Y430 N431P424-C426 WeakPolarHBondContact CB-O 3.32Å; C426-Y430 CarbonylContact C-O 3.51Å; C426-Y430 WeakPolarHBondContact CA-O 3.47Å; C426-Y430 WeakPolarHBondContact CB-O 3.34Å; C426-N431 HydrophobicContact CB-CB 4.07Å
427S95.4Very high94.6Very high54 Ų5458.1 Ų58.138%0.37833%0.334SS..EExtended strand (participates in β ladder)trans-158.1119.1174.1-173.80000110.3Y430S427-Y430 PolarHBondContact N-O 3.37Å; S427-Y430 WeakPolarHBondContact O-CD2 3.37Å; S427-Y430 PolarHBondContact O-N 2.84Å; S427-Y430 VanDerWaalsContact O-N 3.08Å
428G91.8Very high94.9Very high77 Ų7757.5 Ų57.579%0.79433%0.329SS*.THydrogen-bonded Turntrans58.6-125-173.900000111.4Y430G428-Y430 VanDerWaalsContact C-N 3.32Å
429P92.8Very high94.8Very high93 Ų9359.8 Ų59.860%0.60433%0.333SS*.THydrogen-bonded Turntrans-75.3-20176.833.2-35.5000113.3G469P429-G469 WeakPolarHBondContact O-CA 3.49Å
430Y97.4Very high94.6Very high23 Ų2361.6 Ų61.69%0.0935%0.346CS..EExtended strand (participates in β ladder)trans-84.9136.3-169-48.4-69000112C426 S427 G428 Y468 G469 Y470 I572 V580C426-Y430 CarbonylContact C-O 3.51Å; C426-Y430 WeakPolarHBondContact CA-O 3.47Å; C426-Y430 WeakPolarHBondContact CB-O 3.34Å; S427-Y430 PolarHBondContact N-O 3.37Å; S427-Y430 WeakPolarHBondContact O-CD2 3.37Å; S427-Y430 PolarHBondContact O-N 2.84Å; S427-Y430 VanDerWaalsContact O-N 3.08Å; G428-Y430 VanDerWaalsContact C-N 3.32Å; Y430-Y468 WeakPolarHBondContact CA-O 3.41Å; Y430-G469 WeakPolarHBondContact CD1-O 3.33Å; Y430-G469 WeakPolarHBondContact CE1-O 3.33Å; Y430-Y470 HydrophobicContact CD1-CD2 4.49Å; Y430-Y470 HydrophobicContact CE1-CD2 4Å; Y430-I572 HydrophobicContact CD1-CD1 3.79Å; Y430-I572 HydrophobicContact CD2-CD1 3.97Å; Y430-I572 HydrophobicContact CE1-CD1 4.27Å; Y430-I572 HydrophobicContact CE1-CG2 4.36Å; Y430-I572 HydrophobicContact CE2-CD1 4.43Å; Y430-I572 HydrophobicContact CE2-CG2 4.49Å; Y430-I572 HydrophobicContact CG-CD1 3.62Å; Y430-V580 HydrophobicContact CD2-CG1 4.32Å
431N97.5Very high94.6Very high45 Ų4559.5 Ų59.524%0.24133%0.334CS..EExtended strand (participates in β ladder)trans-142118.4176.1178.433.2000111.2C426 Q433 Y468C426-N431 HydrophobicContact CB-CB 4.07Å; N431-Q433 PolarHBondContact ND2-OE1 3.37Å; N431-Y468 PolarHBondContact N-O 3.43Å; N431-Y468 VanDerWaalsContact N-O 3.08Å; N431-Y468 PolarHBondContact O-N 3.08Å
432L98.6Very high94.7Very high1 Ų153.4 Ų53.41%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-95.2112176.5-17671.7000109.8S425 V465 L467 L478 F568 V570 L582 V584S425-L432 PolarHBondContact O-N 3.25Å; L432-V465 HydrophobicContact CD1-CG1 3.78Å; L432-V465 HydrophobicContact CG-CG1 4.26Å; L432-L467 HydrophobicContact CB-CD1 4.36Å; L432-L467 HydrophobicContact CD1-CB 4.2Å; L432-L478 HydrophobicContact CD1-CD1 4.12Å; L432-L478 HydrophobicContact CD2-CD1 4.48Å; L432-F568 HydrophobicContact CD2-CB 4.44Å; L432-V570 HydrophobicContact CD1-CG1 4.14Å; L432-V570 HydrophobicContact CD2-CG1 4.17Å; L432-L582 HydrophobicContact CB-CB 4.06Å; L432-L582 HydrophobicContact CB-CD1 4.13Å; L432-L582 HydrophobicContact CD2-CB 4.38Å; L432-V584 HydrophobicContact CD2-CB 4.47Å; L432-V584 HydrophobicContact CD2-CG1 3.83Å; L432-V584 HydrophobicContact CG-CG1 3.8Å
433Q98Very high94.9Very high80 Ų8050.4 Ų50.437%0.37429%0.294SS..EExtended strand (participates in β ladder)trans-123.8144.1-169.8-173.9162.1-59.700112.4N431 E435 V465 Q466 Y468N431-Q433 PolarHBondContact ND2-OE1 3.37Å; Q433-E435 WeakPolarHBondContact CG-OE1 3.4Å; Q433-E435 PolarHBondContact NE2-OE1 3.26Å; Q433-E435 PolarHBondContact O-N 2.86Å; Q433-V465 CarbonylContact O-C 3.57Å; Q433-V465 WeakPolarHBondContact O-CA 3.16Å; Q433-V465 WeakPolarHBondContact O-CG1 3.25Å; Q433-Q466 PolarHBondContact N-O 3Å; Q433-Q466 PolarHBondContact O-N 3.29Å; Q433-Y468 HydrophobicContact CB-CD2 4.3Å; Q433-Y468 HydrophobicContact CB-CE2 4.02Å
434I98.2Very high95Very high16 Ų1649.4 Ų49.48%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-93.993.8172.1-56.5175.9000108.3V436 Q437 V464 V465 F568 V584I434-V436 VanDerWaalsContact C-N 3.32Å; I434-V436 WeakPolarHBondContact CG2-O 3.49Å; I434-V436 PolarHBondContact O-N 3.31Å; I434-Q437 HydrophobicContact CG2-CG 4.27Å; I434-V464 CarbonylContact C-O 3.58Å; I434-V464 WeakPolarHBondContact CA-O 3.46Å; I434-V465 HydrophobicContact CG1-CG2 4.3Å; I434-F568 HydrophobicContact CD1-CD2 3.92Å; I434-F568 HydrophobicContact CD1-CE2 3.95Å; I434-F568 HydrophobicContact CG1-CD2 4.22Å; I434-F568 HydrophobicContact CG1-CE2 4.34Å; I434-V584 HydrophobicContact CD1-CG1 4.06Å; I434-V584 HydrophobicContact CD1-CG2 3.93Å; I434-V584 HydrophobicContact CG1-CB 4.4Å; I434-V584 HydrophobicContact CG1-CG1 3.65Å; I434-V584 HydrophobicContact CG1-CG2 3.86Å
435E97.3Very high95Very high80 Ų8046.2 Ų46.237%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-61.7-37.5177.6-73.1-58.1102.400112.9Q433 V464 Q466 Y468Q433-E435 WeakPolarHBondContact CG-OE1 3.4Å; Q433-E435 PolarHBondContact NE2-OE1 3.26Å; Q433-E435 PolarHBondContact O-N 2.86Å; E435-V464 HydrophobicContact CB-CB 4.16Å; E435-V464 HydrophobicContact CB-CG1 3.93Å; E435-V464 PolarHBondContact N-O 3.15Å; E435-Q466 HydrophobicContact CG-CB 4.08Å; E435-Y468 VanDerWaalsContact CD-OH 3.25Å; E435-Y468 PolarHBondContact OE1-OH 3.26Å
436V97.8Very high95Very high44 Ų4448.4 Ų48.427%0.26727%0.271SS..EExtended strand (participates in β ladder)trans-131.4113179.1-176.50000109.2I434 A457 P463 V464I434-V436 VanDerWaalsContact C-N 3.32Å; I434-V436 WeakPolarHBondContact CG2-O 3.49Å; I434-V436 PolarHBondContact O-N 3.31Å; V436-A457 HydrophobicContact CG1-CB 3.38Å; V436-P463 CarbonylContact O-C 3.5Å; V436-P463 WeakPolarHBondContact O-CA 3.49Å; V436-P463 WeakPolarHBondContact O-CB 3.33Å; V436-V464 HydrophobicContact CB-CB 3.8Å; V436-V464 HydrophobicContact CB-CG2 3.85Å; V436-V464 HydrophobicContact CG2-CB 3.84Å; V436-V464 HydrophobicContact CG2-CG2 3.76Å; V436-V464 PolarHBondContact N-O 2.94Å; V436-V464 PolarHBondContact O-N 2.9Å
437Q96.9Very high94.8Very high60 Ų6050.8 Ų50.828%0.2828%0.276SS..PPolyproline II helixtrans-72.5147.5179-69.2-76.9-10.700111.9I434 A457I434-Q437 HydrophobicContact CG2-CG 4.27Å; Q437-A457 WeakPolarHBondContact O-CB 3.42Å
438P96.3Very high94.6Very high3 Ų354 Ų542%0.01929%0.293CS..BIsolated β-bridgetrans-64.3161.1169.629.4-35.2000111.9V455 K456 P463 L566 I589P438-V455 HydrophobicContact CB-CG1 3.53Å; P438-K456 CarbonylContact C-O 3.59Å; P438-K456 WeakPolarHBondContact CA-O 3.23Å; P438-P463 HydrophobicContact CB-CG 3.89Å; P438-L566 HydrophobicContact CB-CD1 4.4Å; P438-L566 HydrophobicContact CG-CD1 4.36Å; P438-I589 HydrophobicContact CB-CD1 3.74Å; P438-I589 HydrophobicContact CB-CG1 4.22Å; P438-I589 HydrophobicContact CG-CD1 3.76Å; P438-I589 HydrophobicContact CG-CG1 3.98Å
439K90Very high94.5Very high84 Ų8453.5 Ų53.537%0.36527%0.27SS..PPolyproline II helixtrans-59.4146.8167.1-66.4-167.3-178.8-166.90110.2H441 K456 A457 L458K439-H441 PolarHBondContact O-N 3.11Å; K439-K456 HydrophobicContact CD-CB 4.5Å; K439-K456 WeakPolarHBondContact CG-O 3.36Å; K439-K456 PolarHBondContact N-O 3.4Å; K439-A457 WeakPolarHBondContact CE-O 3.24Å; K439-A457 VanDerWaalsContact CG-C 3.46Å; K439-A457 WeakPolarHBondContact CG-O 3.24Å; K439-L458 HydrophobicContact CB-CD2 4.47Å; K439-L458 HydrophobicContact CG-CD2 4.09Å; K439-L458 HydrophobicContact CG-CG 4.34Å
440S88.8Confident94.4Very high46 Ų4651 Ų5132%0.32226%0.262SS..SBendtrans-62-7.7173520000114.4E590S440-E590 PolarHBondContact O-N 2.94Å
441H90Very high94.1Very high43 Ų4353 Ų5320%0.19928%0.279CS..BIsolated β-bridgetrans-140.5135.7175.117852.5000112.1K439 E590 S592 A596K439-H441 PolarHBondContact O-N 3.11Å; H441-E590 WeakPolarHBondContact CA-O 3.35Å; H441-E590 PolarHBondContact ND1-O 2.8Å; H441-S592 PolarHBondContact CE1-O 2.58Å; H441-S592 VanDerWaalsContact CE1-O 3.32Å; H441-A596 HydrophobicContact CB-CB 3.87Å
442H93.2Very high93.8Very high22 Ų2256.7 Ų56.710%0.10229%0.289CS..  trans-148.7112.7165.2168.495.6000108.2A444 G453 I540 I589 E590 C591H442-A444 PolarHBondContact O-N 2.84Å; H442-G453 PolarHBondContact CE1-O 2.84Å; H442-I540 HydrophobicContact CB-CD1 4.49Å; H442-I540 PolarHBondContact NE2-N 2.99Å; H442-I589 HydrophobicContact CB-CG2 3.9Å; H442-E590 PolarHBondContact N-O 2.92Å; H442-E590 VanDerWaalsContact N-O 3.08Å; H442-C591 WeakPolarHBondContact O-CA 3.12Å; H442-C591 PolarHBondContact O-SG 3.49Å; H442-C591 VanDerWaalsContact O-SG 3.37Å
443R93.4Very high93.6Very high68 Ų6857.9 Ų57.926%0.25730%0.301SS..  trans-59.4112.2175.6173-179.6169.7175.70.4109.9E449R443-E449 IonicContact CZ-OE2 3.98Å; R443-E449 IonicContact NE-OE2 3.22Å; R443-E449 VanDerWaalsContact NH2-CD 3.28Å; R443-E449 IonicContact NH2-OE1 3.03Å; R443-E449 PolarHBondContact NH2-OE1 2.86Å; R443-E449 IonicContact NH2-OE2 3.69Å; R443-E449 PolarHBondContact NH2-OE2 3.07Å
444A95Very high93.6Very high11 Ų1154.7 Ų54.79%0.09129%0.289CS..  trans-68.8161.9169.900000111.4H442 Y496 I540 K542 C591H442-A444 PolarHBondContact O-N 2.84Å; A444-Y496 HydrophobicContact CB-CD1 4.01Å; A444-Y496 HydrophobicContact CB-CE1 3.66Å; A444-I540 VanDerWaalsContact CA-O 3.3Å; A444-I540 WeakPolarHBondContact CA-O 3.48Å; A444-I540 HydrophobicContact CB-CB 4.16Å; A444-I540 HydrophobicContact CB-CG2 3.97Å; A444-I540 WeakPolarHBondContact CB-O 3.41Å; A444-K542 HydrophobicContact CB-CB 4.33Å; A444-C591 HydrophobicContact CB-CB 3.94Å; A444-C591 PolarHBondContact N-O 2.92Å
445H94.9Very high93.5Very high4 Ų454 Ų542%0.01929%0.285CS..BIsolated β-bridgetrans-123.9153.6179.860.3-64.8000111.5E449 G450 R452 H499 I540 L541 K542H445-E449 HydrophobicContact CB-CB 4.14Å; H445-G450 PolarHBondContact CD2-O 3.47Å; H445-R452 HydrophobicContact CB-CB 4.49Å; H445-R452 HydrophobicContact CB-CG 3.65Å; H445-H499 AromaticContact CE1-CD2 3.32Å; H445-H499 PolarHBondContact CE1-CD2 3.01Å; H445-H499 AromaticContact CE1-CG 3.77Å; H445-H499 AromaticContact NE2-CD2 3.16Å; H445-H499 PolarHBondContact NE2-CD2 3.24Å; H445-H499 AromaticContact NE2-CG 3.66Å; H445-H499 AromaticContact NE2-NE2 3.67Å; H445-I540 PolarHBondContact CE1-O 2.7Å; H445-I540 PolarHBondContact N-O 3.49Å; H445-I540 PolarHBondContact ND1-O 2.74Å; H445-L541 CarbonylContact O-C 3.48Å; H445-L541 WeakPolarHBondContact O-CA 3.46Å; H445-K542 PolarHBondContact O-N 3.16Å
446Y95.2Very high93.5Very high93 Ų9354.5 Ų54.537%0.36529%0.286SS..  trans-81.7159.4164-61.3-82000109.6T448 E449 K542 R544Y446-T448 PolarHBondContact O-N 3.49Å; Y446-E449 HydrophobicContact CD2-CG 4.49Å; Y446-E449 PolarHBondContact O-N 2.89Å; Y446-K542 HydrophobicContact CD1-CB 4.15Å; Y446-K542 HydrophobicContact CD1-CG 3.97Å; Y446-K542 VanDerWaalsContact CD1-O 3.25Å; Y446-K542 WeakPolarHBondContact CD1-O 3.37Å; Y446-K542 HydrophobicContact CE1-CB 4.02Å; Y446-K542 HydrophobicContact CE1-CG 3.35Å; Y446-R544 HydrophobicContact CD1-CG 4.12Å
447E91.8Very high93.3Very high120 Ų12052.4 Ų52.456%0.56127%0.274SS*.THydrogen-bonded Turntrans-55.2-27.2176.5-64.7177.9145.700112.7L541E447-L541 HydrophobicContact CG-CD1 3.75Å; E447-L541 HydrophobicContact CG-CD2 3.81Å; E447-L541 HydrophobicContact CG-CG 4.16Å
448T92.6Very high92.7Very high121 Ų12154.5 Ų54.574%0.74229%0.286SS*.THydrogen-bonded Turntrans-83.9-13.8177.554.60000115.3Y446Y446-T448 PolarHBondContact O-N 3.49Å
449E89.6Confident92.1Very high66 Ų6659.1 Ų59.131%0.30832%0.319SS..SBendtrans-84.3-9.5-178.2-84-163.9-157.200113.7R443 H445 Y446 R452R443-E449 IonicContact CZ-OE2 3.98Å; R443-E449 IonicContact NE-OE2 3.22Å; R443-E449 VanDerWaalsContact NH2-CD 3.28Å; R443-E449 IonicContact NH2-OE1 3.03Å; R443-E449 PolarHBondContact NH2-OE1 2.86Å; R443-E449 IonicContact NH2-OE2 3.69Å; R443-E449 PolarHBondContact NH2-OE2 3.07Å; H445-E449 HydrophobicContact CB-CB 4.14Å; Y446-E449 HydrophobicContact CD2-CG 4.49Å; Y446-E449 PolarHBondContact O-N 2.89Å; E449-R452 IonicContact OE2-CZ 3.59Å; E449-R452 IonicContact OE2-NE 2.71Å; E449-R452 PolarHBondContact OE2-NE 2.8Å; E449-R452 IonicContact OE2-NH2 2.72Å; E449-R452 PolarHBondContact OE2-NH2 2.95Å
450G89.8Confident91.7Very high42 Ų4257.2 Ų57.243%0.43332%0.323SS..  trans70.9167.1-163.900000112.6H445 R452H445-G450 PolarHBondContact CD2-O 3.47Å; G450-R452 PolarHBondContact O-N 2.84Å
451S90.6Very high92Very high64 Ų6456.5 Ų56.545%0.44832%0.323SS..  trans-70.1132-173.8-162.30000112.3G453 H499 I501S451-G453 PolarHBondContact O-N 3.25Å; S451-G453 PolarHBondContact OG-N 2.95Å; S451-H499 WeakPolarHBondContact CB-NE2 3.37Å; S451-H499 PolarHBondContact OG-CD2 2.7Å; S451-H499 PolarHBondContact OG-NE2 3.14Å; S451-I501 WeakPolarHBondContact OG-CD1 3.18Å
452R92.5Very high92.3Very high123 Ų12356.2 Ų56.246%0.46432%0.322SS..  trans-84.78.9171.5-65.5-76.3176.3-155.7-8.2113.1H445 E449 G450H445-R452 HydrophobicContact CB-CB 4.49Å; H445-R452 HydrophobicContact CB-CG 3.65Å; E449-R452 IonicContact OE2-CZ 3.59Å; E449-R452 IonicContact OE2-NE 2.71Å; E449-R452 PolarHBondContact OE2-NE 2.8Å; E449-R452 IonicContact OE2-NH2 2.72Å; E449-R452 PolarHBondContact OE2-NH2 2.95Å; G450-R452 PolarHBondContact O-N 2.84Å
453G94.8Very high92.6Very high25 Ų2555.2 Ų55.226%0.25832%0.317SS..  trans76.2-176.8-175.100000113.1H442 S451H442-G453 PolarHBondContact CE1-O 2.84Å; S451-G453 PolarHBondContact O-N 3.25Å; S451-G453 PolarHBondContact OG-N 2.95Å
454A96.9Very high92.8Very high14 Ų1452.3 Ų52.312%0.11631%0.307CS..  trans-78.2159.2-176.500000113.9I501 D536 A538A454-I501 HydrophobicContact CB-CB 4.46Å; A454-I501 HydrophobicContact CB-CG1 3.99Å; A454-D536 WeakPolarHBondContact CB-O 3.49Å; A454-A538 CarbonylContact C-O 3.47Å; A454-A538 WeakPolarHBondContact CA-O 3.49Å; A454-A538 WeakPolarHBondContact CB-O 3.42Å
455V97.3Very high93Very high1 Ų151.8 Ų51.81%0.00630%0.302CS..  trans-61140171.3-177.30000109.7P438 H462 P463 A538 I540 L566 I589P438-V455 HydrophobicContact CB-CG1 3.53Å; V455-H462 PolarHBondContact O-ND1 2.83Å; V455-P463 HydrophobicContact CB-CG 4.49Å; V455-P463 HydrophobicContact CG1-CG 4.14Å; V455-P463 WeakPolarHBondContact O-CD 3.33Å; V455-A538 PolarHBondContact N-O 2.76Å; V455-I540 HydrophobicContact CG2-CD1 3.94Å; V455-I540 HydrophobicContact CG2-CG1 3.83Å; V455-L566 HydrophobicContact CB-CD1 4.45Å; V455-L566 HydrophobicContact CG1-CD1 4.3Å; V455-L566 HydrophobicContact CG2-CD2 4.42Å; V455-I589 HydrophobicContact CG1-CD1 4.01Å
456K96.2Very high93.1Very high90 Ų9052.8 Ų52.839%0.39131%0.307SS..  trans-110.4157.2-179.9-69.8-71-172.8174.40110.8P438 K439 G461 H462P438-K456 CarbonylContact C-O 3.59Å; P438-K456 WeakPolarHBondContact CA-O 3.23Å; K439-K456 HydrophobicContact CD-CB 4.5Å; K439-K456 WeakPolarHBondContact CG-O 3.36Å; K439-K456 PolarHBondContact N-O 3.4Å; K456-G461 CarbonylContact C-O 3.53Å; K456-G461 WeakPolarHBondContact CA-O 3.16Å; K456-G461 WeakPolarHBondContact CD-O 3.41Å; K456-H462 VanDerWaalsContact CE-CE1 3.48Å; K456-H462 WeakPolarHBondContact CE-CE1 3.48Å; K456-H462 PolarHBondContact NZ-CE1 2.94Å; K456-H462 PolarHBondContact NZ-NE2 3.02Å
457A94.2Very high93.3Very high0 Ų048.5 Ų48.50%029%0.291CS..BIsolated β-bridgetrans-90.7162.3169.700000111.9V436 Q437 K439 S459 G460 G461 H462V436-A457 HydrophobicContact CG1-CB 3.38Å; Q437-A457 WeakPolarHBondContact O-CB 3.42Å; K439-A457 WeakPolarHBondContact CE-O 3.24Å; K439-A457 VanDerWaalsContact CG-C 3.46Å; K439-A457 WeakPolarHBondContact CG-O 3.24Å; A457-S459 PolarHBondContact O-N 2.95Å; A457-G460 PolarHBondContact O-N 3.37Å; A457-G461 PolarHBondContact N-O 3.34Å; A457-H462 WeakPolarHBondContact CB-O 3.46Å
458L83.5Confident93.6Very high104 Ų10446.8 Ų46.855%0.54528%0.279SS..THydrogen-bonded Turntrans-56.6-36.8177.4-73.1167.2000112.4K439 G460K439-L458 HydrophobicContact CB-CD2 4.47Å; K439-L458 HydrophobicContact CG-CD2 4.09Å; K439-L458 HydrophobicContact CG-CG 4.34Å; L458-G460 PolarHBondContact O-N 3.42Å; L458-G460 VanDerWaalsContact O-N 3.07Å
459S84Confident93.6Very high101 Ų10142.8 Ų42.871%0.70626%0.262SS*.THydrogen-bonded Turntrans-66.92.2174.955.60000115.6A457 G461A457-S459 PolarHBondContact O-N 2.95Å; S459-G461 PolarHBondContact O-N 2.97Å
460G81.9Confident93.9Very high44 Ų4440.8 Ų40.845%0.45425%0.252SS..SBendtrans84.5-18.1-178.400000114.8A457 L458A457-G460 PolarHBondContact O-N 3.37Å; L458-G460 PolarHBondContact O-N 3.42Å; L458-G460 VanDerWaalsContact O-N 3.07Å
461G93.8Very high94Very high31 Ų3147.7 Ų47.732%0.3228%0.275SS..SBendtrans-74.3-153169.300000113.3K456 A457 S459K456-G461 CarbonylContact C-O 3.53Å; K456-G461 WeakPolarHBondContact CA-O 3.16Å; K456-G461 WeakPolarHBondContact CD-O 3.41Å; A457-G461 PolarHBondContact N-O 3.34Å; S459-G461 PolarHBondContact O-N 2.97Å
462H97.8Very high94Very high37 Ų3747.9 Ų47.917%0.17127%0.269CS..  trans-111.1162.6177.3-72.1-80.9000111.3V455 K456 A457 I534 I535 D536V455-H462 PolarHBondContact O-ND1 2.83Å; K456-H462 VanDerWaalsContact CE-CE1 3.48Å; K456-H462 WeakPolarHBondContact CE-CE1 3.48Å; K456-H462 PolarHBondContact NZ-CE1 2.94Å; K456-H462 PolarHBondContact NZ-NE2 3.02Å; A457-H462 WeakPolarHBondContact CB-O 3.46Å; H462-I534 HydrophobicContact CB-CG2 3.77Å; H462-I535 PolarHBondContact ND1-O 3.28Å; H462-D536 HydrophobicContact CB-CB 4.36Å
463P98.1Very high93.9Very high0 Ų046.5 Ų46.50%028%0.278CS..  trans-58.4154.7169.4-18.631.4000111V436 P438 V455 I535 L566V436-P463 CarbonylContact O-C 3.5Å; V436-P463 WeakPolarHBondContact O-CA 3.49Å; V436-P463 WeakPolarHBondContact O-CB 3.33Å; P438-P463 HydrophobicContact CB-CG 3.89Å; V455-P463 HydrophobicContact CB-CG 4.49Å; V455-P463 HydrophobicContact CG1-CG 4.14Å; V455-P463 WeakPolarHBondContact O-CD 3.33Å; P463-I535 HydrophobicContact CB-CB 4.16Å; P463-I535 HydrophobicContact CB-CG1 4.31Å; P463-I535 HydrophobicContact CG-CB 4.47Å; P463-I535 PolarHBondContact O-N 2.8Å; P463-L566 HydrophobicContact CG-CD1 4.24Å
464V98.4Very high93.9Very high7 Ų751.1 Ų51.14%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-136.6136.4-178.7178.60000109I434 E435 V436 R532 A533 I534I434-V464 CarbonylContact C-O 3.58Å; I434-V464 WeakPolarHBondContact CA-O 3.46Å; E435-V464 HydrophobicContact CB-CB 4.16Å; E435-V464 HydrophobicContact CB-CG1 3.93Å; E435-V464 PolarHBondContact N-O 3.15Å; V436-V464 HydrophobicContact CB-CB 3.8Å; V436-V464 HydrophobicContact CB-CG2 3.85Å; V436-V464 HydrophobicContact CG2-CB 3.84Å; V436-V464 HydrophobicContact CG2-CG2 3.76Å; V436-V464 PolarHBondContact N-O 2.94Å; V436-V464 PolarHBondContact O-N 2.9Å; V464-R532 HydrophobicContact CG1-CG 3.72Å; V464-A533 WeakPolarHBondContact CA-O 3.47Å; V464-I534 HydrophobicContact CG2-CG1 4.32Å
465V98.4Very high93.9Very high0 Ų053.9 Ų53.90%031%0.31CS..EExtended strand (participates in β ladder)trans-128.5138.8178-174.60000108.8L432 Q433 I434 L478 R532 A533 I535 F568L432-V465 HydrophobicContact CD1-CG1 3.78Å; L432-V465 HydrophobicContact CG-CG1 4.26Å; Q433-V465 CarbonylContact O-C 3.57Å; Q433-V465 WeakPolarHBondContact O-CA 3.16Å; Q433-V465 WeakPolarHBondContact O-CG1 3.25Å; I434-V465 HydrophobicContact CG1-CG2 4.3Å; V465-L478 HydrophobicContact CB-CD2 4.24Å; V465-L478 HydrophobicContact CG1-CD1 4.27Å; V465-L478 HydrophobicContact CG1-CD2 4.36Å; V465-R532 CarbonylContact O-C 3.57Å; V465-R532 WeakPolarHBondContact O-CA 3.4Å; V465-A533 PolarHBondContact N-O 2.71Å; V465-A533 PolarHBondContact O-N 2.98Å; V465-I535 HydrophobicContact CG2-CD1 4.36Å; V465-I535 HydrophobicContact CG2-CG1 4.23Å; V465-F568 HydrophobicContact CG1-CG 4.48Å; V465-F568 HydrophobicContact CG2-CD1 3.79Å; V465-F568 HydrophobicContact CG2-CD2 3.88Å; V465-F568 HydrophobicContact CG2-CE1 3.64Å; V465-F568 HydrophobicContact CG2-CE2 3.74Å; V465-F568 HydrophobicContact CG2-CG 3.9Å; V465-F568 HydrophobicContact CG2-CZ 3.62Å
466Q98.4Very high93.8Very high25 Ų2554.7 Ų54.712%0.11731%0.314CS..EExtended strand (participates in β ladder)trans-134.9141.9178.4-170.7160.85.900111.2Q433 E435 Y468 N530 M531 R532Q433-Q466 PolarHBondContact N-O 3Å; Q433-Q466 PolarHBondContact O-N 3.29Å; E435-Q466 HydrophobicContact CG-CB 4.08Å; Q466-Y468 HydrophobicContact CB-CE2 4.17Å; Q466-Y468 HydrophobicContact CG-CD1 4.43Å; Q466-Y468 HydrophobicContact CG-CE1 3.97Å; Q466-Y468 HydrophobicContact CG-CE2 4.19Å; Q466-Y468 PolarHBondContact OE1-OH 2.94Å; Q466-N530 PolarHBondContact NE2-O 3.07Å; Q466-M531 WeakPolarHBondContact CA-O 3.31Å; Q466-R532 HydrophobicContact CB-CB 4.13Å; Q466-R532 HydrophobicContact CB-CG 4.09Å; Q466-R532 HydrophobicContact CG-CB 3.89Å; Q466-R532 HydrophobicContact CG-CG 4.29Å
467L98.4Very high93.9Very high4 Ų453.3 Ų53.32%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-102.6116.4169.3175.265.2000109.5L432 Y470 L476 L525 M531 V570 I572 L582L432-L467 HydrophobicContact CB-CD1 4.36Å; L432-L467 HydrophobicContact CD1-CB 4.2Å; L467-Y470 HydrophobicContact CD2-CG 4.23Å; L467-L476 HydrophobicContact CD2-CD1 3.64Å; L467-L525 HydrophobicContact CB-CD1 4.31Å; L467-M531 HydrophobicContact CB-CB 4.12Å; L467-M531 HydrophobicContact CD2-CE 4.3Å; L467-M531 PolarHBondContact N-O 2.84Å; L467-M531 WeakPolarHBondContact O-CB 3.23Å; L467-V570 HydrophobicContact CD1-CG1 4.25Å; L467-V570 HydrophobicContact CD2-CG1 4.24Å; L467-V570 HydrophobicContact CD2-CG2 4.38Å; L467-I572 HydrophobicContact CD1-CD1 4.24Å; L467-I572 HydrophobicContact CD2-CD1 4Å; L467-I572 HydrophobicContact CD2-CG1 4.42Å; L467-L582 HydrophobicContact CD1-CD1 3.82Å
468Y97.5Very high94.1Very high83 Ų8353.3 Ų53.333%0.32531%0.313SS..EExtended strand (participates in β ladder)trans-92.7158173-61.9-74.3000111.5Y430 N431 Q433 E435 Q466 Y470Y430-Y468 WeakPolarHBondContact CA-O 3.41Å; N431-Y468 PolarHBondContact N-O 3.43Å; N431-Y468 VanDerWaalsContact N-O 3.08Å; N431-Y468 PolarHBondContact O-N 3.08Å; Q433-Y468 HydrophobicContact CB-CD2 4.3Å; Q433-Y468 HydrophobicContact CB-CE2 4.02Å; E435-Y468 VanDerWaalsContact CD-OH 3.25Å; E435-Y468 PolarHBondContact OE1-OH 3.26Å; Q466-Y468 HydrophobicContact CB-CE2 4.17Å; Q466-Y468 HydrophobicContact CG-CD1 4.43Å; Q466-Y468 HydrophobicContact CG-CE1 3.97Å; Q466-Y468 HydrophobicContact CG-CE2 4.19Å; Q466-Y468 PolarHBondContact OE1-OH 2.94Å; Y468-Y470 VanDerWaalsContact C-N 3.26Å; Y468-Y470 PolarHBondContact O-N 2.89Å
469G94.6Very high94.8Very high37 Ų3748.9 Ų48.938%0.38129%0.29SS..SBendtrans79-2175.500000115.7P429 Y430P429-G469 WeakPolarHBondContact O-CA 3.49Å; Y430-G469 WeakPolarHBondContact CD1-O 3.33Å; Y430-G469 WeakPolarHBondContact CE1-O 3.33Å
470Y95.4Very high95.5Very high24 Ų2444.1 Ų44.19%0.09426%0.256CS..  trans-85.3125.6171.6-167.9-107.7000109.9Y430 L467 Y468 E472 E474 L476 M531 I572Y430-Y470 HydrophobicContact CD1-CD2 4.49Å; Y430-Y470 HydrophobicContact CE1-CD2 4Å; L467-Y470 HydrophobicContact CD2-CG 4.23Å; Y468-Y470 VanDerWaalsContact C-N 3.26Å; Y468-Y470 PolarHBondContact O-N 2.89Å; Y470-E472 HydrophobicContact CE1-CB 3.9Å; Y470-E472 WeakPolarHBondContact CE1-O 3.31Å; Y470-E472 HydrophobicContact CE2-CB 3.99Å; Y470-E472 HydrophobicContact CE2-CG 4.18Å; Y470-E472 WeakPolarHBondContact CE2-OE2 3.16Å; Y470-E472 VanDerWaalsContact CZ-OE2 3.26Å; Y470-E472 WeakPolarHBondContact OH-CB 3.21Å; Y470-E472 PolarHBondContact OH-OE2 3.15Å; Y470-E474 WeakPolarHBondContact CE1-O 3.38Å; Y470-E474 PolarHBondContact OH-O 2.87Å; Y470-L476 HydrophobicContact CD1-CD1 4.27Å; Y470-L476 HydrophobicContact CD2-CD1 4.04Å; Y470-L476 HydrophobicContact CE1-CD1 4.03Å; Y470-L476 HydrophobicContact CE1-CG 4.03Å; Y470-L476 HydrophobicContact CE2-CD1 3.86Å; Y470-L476 HydrophobicContact CE2-CD2 4.39Å; Y470-L476 HydrophobicContact CE2-CG 4.36Å; Y470-L476 HydrophobicContact CG-CD1 4.25Å; Y470-M531 HydrophobicContact CD1-CE 3.57Å; Y470-M531 HydrophobicContact CD1-CG 3.91Å; Y470-M531 HydrophobicContact CD1-SD 3.91Å; Y470-M531 HydrophobicContact CE1-CE 3.77Å; Y470-M531 HydrophobicContact CE1-SD 4.26Å; Y470-M531 HydrophobicContact CG-CE 4.37Å; Y470-I572 HydrophobicContact CD2-CG2 3.96Å; Y470-I572 HydrophobicContact CE2-CG2 3.75Å
471M91.3Very high96.3Very high187 Ų18742 Ų4292%0.92124%0.235SC*.  trans-123.94.4-174.1-64.3-170.169.300113.6
472E91.5Very high96.5Very high69 Ų6940.6 Ų40.632%0.32222%0.22SC..  trans-84.7155.5177.2-63.3156.3-154.500110Y470 E474Y470-E472 HydrophobicContact CE1-CB 3.9Å; Y470-E472 WeakPolarHBondContact CE1-O 3.31Å; Y470-E472 HydrophobicContact CE2-CB 3.99Å; Y470-E472 HydrophobicContact CE2-CG 4.18Å; Y470-E472 WeakPolarHBondContact CE2-OE2 3.16Å; Y470-E472 VanDerWaalsContact CZ-OE2 3.26Å; Y470-E472 WeakPolarHBondContact OH-CB 3.21Å; Y470-E472 PolarHBondContact OH-OE2 3.15Å; E472-E474 VanDerWaalsContact C-N 3.32Å
473S90.4Very high96.4Very high93 Ų9338.9 Ų38.965%0.6521%0.212SC*.SBendtrans-84.9-0.1179.153.80000114.4
474E94.3Very high96.1Very high122 Ų12240 Ų4057%0.5722%0.219SC*.SBendtrans-84.5137.8-177.6-63.5-57.3126.300111.3Y470 E472Y470-E474 WeakPolarHBondContact CE1-O 3.38Å; Y470-E474 PolarHBondContact OH-O 2.87Å; E472-E474 VanDerWaalsContact C-N 3.32Å
475P95.6Very high95.7Very high73 Ų7340.6 Ų40.647%0.47422%0.224SC..  trans-72.9142.3175.831-35000111.3L525 L526P475-L525 WeakPolarHBondContact CA-O 3.28Å; P475-L526 HydrophobicContact CB-CD2 3.75Å
476L97.1Very high94.9Very high18 Ų1844.1 Ų44.19%0.09424%0.243CC..EExtended strand (participates in β ladder)trans-109.2158.5176.7-62.2-178.5000111.7L467 Y470 L525 M531 V570 I572L467-L476 HydrophobicContact CD2-CD1 3.64Å; Y470-L476 HydrophobicContact CD1-CD1 4.27Å; Y470-L476 HydrophobicContact CD2-CD1 4.04Å; Y470-L476 HydrophobicContact CE1-CD1 4.03Å; Y470-L476 HydrophobicContact CE1-CG 4.03Å; Y470-L476 HydrophobicContact CE2-CD1 3.86Å; Y470-L476 HydrophobicContact CE2-CD2 4.39Å; Y470-L476 HydrophobicContact CE2-CG 4.36Å; Y470-L476 HydrophobicContact CG-CD1 4.25Å; L476-L525 HydrophobicContact CB-CB 4.43Å; L476-L525 PolarHBondContact N-O 2.87Å; L476-L525 PolarHBondContact O-N 3Å; L476-M531 HydrophobicContact CB-CE 3.78Å; L476-M531 HydrophobicContact CD1-CE 3.66Å; L476-M531 HydrophobicContact CG-CE 3.64Å; L476-V570 HydrophobicContact CB-CG2 3.93Å; L476-V570 HydrophobicContact CD1-CG2 3.84Å; L476-I572 HydrophobicContact CD1-CG1 3.96Å
477T97.6Very high93.5Very high60 Ų6047.8 Ų47.837%0.36826%0.263SS..EExtended strand (participates in β ladder)trans-96.7118.4172.9-55.80000110.9Q479 E522T477-Q479 HydrophobicContact CG2-CG 4.46Å; T477-E522 HydrophobicContact CG2-CB 3.69Å; T477-E522 HydrophobicContact CG2-CG 3.86Å
478L98.4Very high92.5Very high0 Ų057.6 Ų57.60%030%0.3CS..EExtended strand (participates in β ladder)trans-83.7114163.6-175.772.2000108.8L432 V465 I523 L525 A533 I535 F568 R569L432-L478 HydrophobicContact CD1-CD1 4.12Å; L432-L478 HydrophobicContact CD2-CD1 4.48Å; V465-L478 HydrophobicContact CB-CD2 4.24Å; V465-L478 HydrophobicContact CG1-CD1 4.27Å; V465-L478 HydrophobicContact CG1-CD2 4.36Å; L478-I523 HydrophobicContact CB-CB 4.31Å; L478-I523 WeakPolarHBondContact CB-O 3.08Å; L478-I523 PolarHBondContact N-O 2.96Å; L478-I523 PolarHBondContact O-N 3.43Å; L478-L525 HydrophobicContact CB-CD1 4.03Å; L478-L525 HydrophobicContact CB-CD2 4.3Å; L478-L525 HydrophobicContact CB-CG 3.86Å; L478-L525 HydrophobicContact CD1-CD1 4.33Å; L478-L525 HydrophobicContact CD2-CD2 4.31Å; L478-A533 HydrophobicContact CD2-CB 4.15Å; L478-I535 HydrophobicContact CD2-CD1 4.13Å; L478-F568 HydrophobicContact CD1-CB 4.01Å; L478-F568 HydrophobicContact CD1-CD1 4.4Å; L478-F568 HydrophobicContact CD2-CD1 3.97Å; L478-F568 HydrophobicContact CG-CD1 4.26Å; L478-R569 CarbonylContact C-O 3.47Å; L478-R569 WeakPolarHBondContact CA-O 3.44Å
479Q98.2Very high91.6Very high12 Ų1258 Ų586%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-86.7133.7170.7-68.7-176.5-17.700109.9T477 I520 E522 F568 R569T477-Q479 HydrophobicContact CG2-CG 4.46Å; Q479-I520 HydrophobicContact CB-CG2 3.71Å; Q479-I520 HydrophobicContact CG-CG2 3.95Å; Q479-E522 HydrophobicContact CG-CG 4.35Å; Q479-F568 CarbonylContact O-C 3.55Å; Q479-F568 VanDerWaalsContact O-CA 3.3Å; Q479-F568 WeakPolarHBondContact O-CA 3.36Å; Q479-R569 HydrophobicContact CB-CB 4.27Å; Q479-R569 PolarHBondContact N-O 2.96Å; Q479-R569 PolarHBondContact O-N 3.29Å
480L98.5Very high91.3Very high0 Ų056.9 Ų56.90%029%0.293CS..EExtended strand (participates in β ladder)trans-124124.7175.2165.959.6000110.8V498 I520 L521 I523 I535 A538 L566 V567 F568L480-V498 HydrophobicContact CD2-CG2 4.47Å; L480-V498 HydrophobicContact CG-CG2 4.41Å; L480-I520 CarbonylContact O-C 3.59Å; L480-I520 WeakPolarHBondContact O-CA 3.41Å; L480-L521 HydrophobicContact CB-CB 4.35Å; L480-L521 HydrophobicContact CD2-CD2 4.45Å; L480-L521 PolarHBondContact N-O 2.84Å; L480-L521 PolarHBondContact O-N 3.02Å; L480-I523 HydrophobicContact CD2-CD1 4.36Å; L480-I535 HydrophobicContact CD2-CG2 3.79Å; L480-A538 HydrophobicContact CD2-CB 3.43Å; L480-A538 VanDerWaalsContact CD2-CB 3.43Å; L480-L566 HydrophobicContact CD1-CB 3.82Å; L480-L566 HydrophobicContact CD1-CD2 4.32Å; L480-V567 WeakPolarHBondContact CA-O 3.38Å; L480-F568 HydrophobicContact CB-CD1 4.16Å; L480-F568 HydrophobicContact CB-CE1 4.3Å; L480-F568 HydrophobicContact CD1-CD1 3.93Å; L480-F568 HydrophobicContact CD1-CE1 3.69Å; L480-F568 HydrophobicContact CD1-CZ 4.04Å; L480-F568 HydrophobicContact CD2-CE1 3.95Å; L480-F568 HydrophobicContact CG-CD1 4.45Å; L480-F568 HydrophobicContact CG-CE1 4.19Å
481F98.1Very high91.1Very high0 Ų061.4 Ų61.40%031%0.31CS..EExtended strand (participates in β ladder)trans-131.8168.1169.366.8-85.5000112.1L419 P492 T518 I520 V567 R569L419-F481 HydrophobicContact CB-CZ 4.28Å; L419-F481 HydrophobicContact CD2-CD1 4.02Å; L419-F481 HydrophobicContact CD2-CE1 3.91Å; L419-F481 HydrophobicContact CD2-CZ 4.46Å; L419-F481 WeakPolarHBondContact O-CZ 3.37Å; F481-P492 HydrophobicContact CD2-CB 4.46Å; F481-P492 HydrophobicContact CD2-CG 4.19Å; F481-P492 HydrophobicContact CE2-CG 3.99Å; F481-T518 HydrophobicContact CB-CG2 4.21Å; F481-I520 HydrophobicContact CB-CG1 4.41Å; F481-V567 HydrophobicContact CD1-CB 4.22Å; F481-V567 HydrophobicContact CD1-CG1 4.42Å; F481-V567 HydrophobicContact CD2-CB 4.23Å; F481-V567 HydrophobicContact CE1-CB 3.88Å; F481-V567 HydrophobicContact CE1-CG1 3.64Å; F481-V567 HydrophobicContact CE2-CB 3.9Å; F481-V567 HydrophobicContact CE2-CG1 4.12Å; F481-V567 HydrophobicContact CE2-CG2 4.16Å; F481-V567 HydrophobicContact CG-CB 4.39Å; F481-V567 HydrophobicContact CZ-CB 3.72Å; F481-V567 HydrophobicContact CZ-CG1 3.47Å; F481-V567 VanDerWaalsContact CZ-CG1 3.47Å; F481-V567 HydrophobicContact CZ-CG2 4.35Å; F481-V567 PolarHBondContact N-O 3.37Å; F481-V567 PolarHBondContact O-N 2.92Å; F481-R569 HydrophobicContact CE1-CG 4.35Å
482I97.8Very high91.2Very high2 Ų254 Ų541%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-92.9116.1177.4-56.7-58.7000109.5H493 Q497 V498 I540 V564 R565 L566I482-H493 HydrophobicContact CG2-CB 4.18Å; I482-H493 PolarHBondContact O-N 2.88Å; I482-Q497 VanDerWaalsContact CG1-C 3.42Å; I482-V498 HydrophobicContact CD1-CB 4.42Å; I482-V498 HydrophobicContact CG1-CB 4.04Å; I482-V498 VanDerWaalsContact CG1-N 3.32Å; I482-I540 HydrophobicContact CD1-CG1 4.13Å; I482-V564 HydrophobicContact CG2-CB 3.58Å; I482-V564 HydrophobicContact CG2-CG1 3.85Å; I482-V564 HydrophobicContact CG2-CG2 3.85Å; I482-R565 WeakPolarHBondContact CA-O 3.45Å; I482-L566 HydrophobicContact CD1-CD2 3.5Å
483G95.4Very high91.3Very high0 Ų051.3 Ų51.30%026%0.263CS..EExtended strand (participates in β ladder)trans-100.8167.6-179.500000114.2R491 V564 R565G483-R491 CarbonylContact C-O 3.5Å; G483-R491 VanDerWaalsContact CA-O 3.26Å; G483-R491 WeakPolarHBondContact CA-O 3.44Å; G483-V564 CarbonylContact O-C 3.56Å; G483-V564 WeakPolarHBondContact O-CA 3.26Å; G483-V564 WeakPolarHBondContact O-CB 3.41Å; G483-R565 PolarHBondContact N-O 2.9Å; G483-R565 PolarHBondContact O-N 3.5Å
484T93.2Very high91.2Very high25 Ų2548.2 Ų48.215%0.15324%0.243CC..EExtended strand (participates in β ladder)trans-58.6152.5165.944.10000112.3L489 L490 R491T484-L489 PolarHBondContact OG1-O 2.92Å; T484-L490 VanDerWaalsContact OG1-CA 3.31Å; T484-L490 WeakPolarHBondContact OG1-CA 3.14Å; T484-R491 PolarHBondContact N-O 3.47Å; T484-R491 PolarHBondContact OG1-N 2.95Å; T484-R491 PolarHBondContact OG1-O 2.9Å
485A89.7Confident91.1Very high18 Ų1843.2 Ų43.215%0.14922%0.219CC..SBendtrans-78.5-17177.500000114.7R563 R565 P588A485-R563 HydrophobicContact CB-CB 3.65Å; A485-R563 WeakPolarHBondContact CB-O 3.47Å; A485-R565 PolarHBondContact O-NE 2.88Å; A485-R565 PolarHBondContact O-NH2 2.95Å; A485-P588 HydrophobicContact CB-CB 3.9Å
486D80.7Confident91.1Very high74 Ų7440.2 Ų40.240%0.39620%0.199SC..  trans-85.5120.9179.4175.817.1000111.2R488 L489 L490D486-R488 VanDerWaalsContact C-N 3.27Å; D486-R488 PolarHBondContact O-N 2.68Å; D486-R488 WeakPolarHBondContact OD1-CB 3.41Å; D486-R488 PolarHBondContact OD1-N 3.1Å; D486-L489 CarbonylContact O-C 3.56Å; D486-L489 PolarHBondContact O-N 3.44Å; D486-L490 PolarHBondContact O-N 2.81Å
487D70.8Confident91Very high102 Ų10240 Ų4055%0.54520%0.197SC..G310 helixtrans-61.8-33177.3-61.8-73000112.5L489 R565D487-L489 VanDerWaalsContact C-N 3.25Å; D487-L489 PolarHBondContact O-N 3.07Å; D487-R565 IonicContact OD1-CZ 3.98Å; D487-R565 IonicContact OD1-NH1 3.77Å; D487-R565 PolarHBondContact OD1-NH1 2.82Å; D487-R565 IonicContact OD1-NH2 3.56Å; D487-R565 PolarHBondContact OD1-NH2 3.02Å; D487-R565 IonicContact OD2-CZ 2.59Å; D487-R565 IonicContact OD2-NH1 3.32Å; D487-R565 IonicContact OD2-NH2 3.84Å; D487-R565 PolarHBondContact OD2-NH2 2.83Å
488R75.8Confident91Very high210 Ų21037.2 Ų37.279%0.79218%0.18SC*.G310 helixtrans-70.4-24.2-176.7-63.5-176.7174.5-162.7-2.7112.8Q422 D486Q422-R488 PolarHBondContact NE2-O 2.65Å; D486-R488 VanDerWaalsContact C-N 3.27Å; D486-R488 PolarHBondContact O-N 2.68Å; D486-R488 WeakPolarHBondContact OD1-CB 3.41Å; D486-R488 PolarHBondContact OD1-N 3.1Å
489L78.7Confident91Very high91 Ų9139.4 Ų39.448%0.47619%0.19SC..G310 helixtrans-133.841.4-173.7-65.5175.1000110.9T484 D486 D487 R491T484-L489 PolarHBondContact OG1-O 2.92Å; D486-L489 CarbonylContact O-C 3.56Å; D486-L489 PolarHBondContact O-N 3.44Å; D487-L489 VanDerWaalsContact C-N 3.25Å; D487-L489 PolarHBondContact O-N 3.07Å; L489-R491 PolarHBondContact O-N 3.24Å
490L89.1Confident91Very high15 Ų1543.4 Ų43.48%0.07921%0.205CC..  trans-60.1105.7178.3-171.470.6000110.9T484 D486 V567 A585T484-L490 VanDerWaalsContact OG1-CA 3.31Å; T484-L490 WeakPolarHBondContact OG1-CA 3.14Å; D486-L490 PolarHBondContact O-N 2.81Å; L490-V567 HydrophobicContact CD1-CG2 3.79Å; L490-V567 HydrophobicContact CD2-CG1 4.21Å; L490-V567 HydrophobicContact CD2-CG2 4.39Å; L490-V567 HydrophobicContact CG-CG2 4.31Å; L490-A585 HydrophobicContact CD1-CB 4.13Å; L490-A585 HydrophobicContact CD2-CB 3.87Å
491R91.9Very high90.9Very high118 Ų11844.1 Ų44.145%0.44521%0.208SC..  trans-148.1161.3-174.6-64.7-175.7-73.1166.7-1.6109.8D420 G483 T484 L489 H493D420-R491 HydrophobicContact CB-CB 4.34Å; D420-R491 HydrophobicContact CB-CG 3.73Å; G483-R491 CarbonylContact C-O 3.5Å; G483-R491 VanDerWaalsContact CA-O 3.26Å; G483-R491 WeakPolarHBondContact CA-O 3.44Å; T484-R491 PolarHBondContact N-O 3.47Å; T484-R491 PolarHBondContact OG1-N 2.95Å; T484-R491 PolarHBondContact OG1-O 2.9Å; L489-R491 PolarHBondContact O-N 3.24Å; R491-H493 PolarHBondContact O-N 2.81Å
492P93.6Very high90.6Very high32 Ų3248.6 Ų48.621%0.20824%0.236CC..BIsolated β-bridgetrans-52.1134172.9-29.837.6000113.1L419 F481 A494 T518L419-P492 HydrophobicContact CB-CG 3.5Å; L419-P492 HydrophobicContact CD1-CG 4.15Å; F481-P492 HydrophobicContact CD2-CB 4.46Å; F481-P492 HydrophobicContact CD2-CG 4.19Å; F481-P492 HydrophobicContact CE2-CG 3.99Å; P492-A494 PolarHBondContact O-N 3.35Å; P492-T518 HydrophobicContact CB-CG2 3.82Å; P492-T518 WeakPolarHBondContact CB-OG1 3.3Å; P492-T518 HydrophobicContact CG-CG2 4.2Å
493H92.2Very high90.2Very high13 Ų1350.6 Ų50.66%0.0626%0.257CS..  trans-80.2109.9-175-160.9-63.9000111.6I482 R491 F495 Y496I482-H493 HydrophobicContact CG2-CB 4.18Å; I482-H493 PolarHBondContact O-N 2.88Å; R491-H493 PolarHBondContact O-N 2.81Å; H493-F495 PolarHBondContact ND1-N 3.38Å; H493-F495 PolarHBondContact O-N 2.94Å; H493-Y496 AromaticContact CE1-CD2 3.57Å; H493-Y496 AromaticContact ND1-CD2 3.51Å; H493-Y496 PolarHBondContact O-N 3.37Å
494A89.6Confident89.8Confident27 Ų2761.3 Ų61.322%0.22330%0.304CS..THydrogen-bonded Turntrans-53.1-30-176.500000114.8P492 L543 K552P492-A494 PolarHBondContact O-N 3.35Å; A494-L543 WeakPolarHBondContact O-CD1 3.37Å; A494-K552 HydrophobicContact CB-CD 4.36Å
495F90.9Very high89.5Confident18 Ų1866.4 Ų66.48%0.07934%0.335CS..THydrogen-bonded Turntrans-97.1-8.9-177.7-59.3-93.5000115.8H493 L543 I548H493-F495 PolarHBondContact ND1-N 3.38Å; H493-F495 PolarHBondContact O-N 2.94Å; F495-L543 PolarHBondContact O-N 3.05Å; F495-L543 VanDerWaalsContact O-N 3.14Å; F495-I548 HydrophobicContact CB-CD1 4.09Å; F495-I548 HydrophobicContact CD1-CD1 3.14Å; F495-I548 HydrophobicContact CE1-CB 4.3Å; F495-I548 HydrophobicContact CE1-CD1 3.44Å; F495-I548 VanDerWaalsContact CE1-CD1 3.44Å; F495-I548 HydrophobicContact CE1-CG1 4.5Å; F495-I548 HydrophobicContact CE1-CG2 3.99Å; F495-I548 HydrophobicContact CG-CD1 3.79Å; F495-I548 HydrophobicContact CZ-CD1 4.31Å; F495-I548 HydrophobicContact CZ-CG2 3.92Å
496Y95.1Very high89.8Confident10 Ų1067 Ų674%0.03934%0.337CS..EExtended strand (participates in β ladder)trans-139137.4-176.3-66.7-82.3000111.8A444 H493 I540 L541 K542 V564 C591A444-Y496 HydrophobicContact CB-CD1 4.01Å; A444-Y496 HydrophobicContact CB-CE1 3.66Å; H493-Y496 AromaticContact CE1-CD2 3.57Å; H493-Y496 AromaticContact ND1-CD2 3.51Å; H493-Y496 PolarHBondContact O-N 3.37Å; Y496-I540 HydrophobicContact CD1-CG2 3.9Å; Y496-I540 HydrophobicContact CG-CG2 4.4Å; Y496-L541 CarbonylContact C-O 3.5Å; Y496-L541 WeakPolarHBondContact CA-O 3.43Å; Y496-L541 WeakPolarHBondContact CD1-O 3.32Å; Y496-K542 HydrophobicContact CD1-CB 4.03Å; Y496-K542 HydrophobicContact CD1-CD 3.92Å; Y496-K542 HydrophobicContact CE1-CB 3.83Å; Y496-K542 HydrophobicContact CE1-CD 3.41Å; Y496-K542 VanDerWaalsContact CE1-CD 3.41Å; Y496-K542 HydrophobicContact CE1-CG 4.16Å; Y496-K542 HydrophobicContact CE2-CD 4.26Å; Y496-V564 HydrophobicContact CD2-CG1 3.32Å; Y496-V564 HydrophobicContact CE2-CG1 3.89Å; Y496-V564 HydrophobicContact CG-CG1 3.74Å; Y496-C591 HydrophobicContact CE1-CB 3.75Å
497Q96.4Very high90.4Very high13 Ų1368.1 Ų68.16%0.06135%0.35CS..EExtended strand (participates in β ladder)trans-124.4160.3177-77.1-177.8-15.600110.8I482 N517 K519 L541 L543I482-Q497 VanDerWaalsContact CG1-C 3.42Å; Q497-N517 PolarHBondContact NE2-O 2.93Å; Q497-K519 HydrophobicContact CB-CB 4.25Å; Q497-K519 HydrophobicContact CB-CD 4.17Å; Q497-K519 HydrophobicContact CB-CG 4.38Å; Q497-K519 HydrophobicContact CG-CB 4.48Å; Q497-K519 HydrophobicContact CG-CG 4.47Å; Q497-K519 VanDerWaalsContact OE1-CD 3.32Å; Q497-L541 HydrophobicContact CB-CB 4.49Å; Q497-L541 PolarHBondContact N-O 2.76Å; Q497-L541 WeakPolarHBondContact O-CB 3.47Å; Q497-L541 PolarHBondContact O-N 3.06Å; Q497-L543 HydrophobicContact CG-CD1 3.88Å; Q497-L543 HydrophobicContact CG-CG 4.41Å
498V98Very high91.5Very high1 Ų164.4 Ų64.41%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-70.5142.2169.970.50000108.5L480 I482 K519 L521 A538L480-V498 HydrophobicContact CD2-CG2 4.47Å; L480-V498 HydrophobicContact CG-CG2 4.41Å; I482-V498 HydrophobicContact CD1-CB 4.42Å; I482-V498 HydrophobicContact CG1-CB 4.04Å; I482-V498 VanDerWaalsContact CG1-N 3.32Å; V498-K519 HydrophobicContact CG1-CB 3.84Å; V498-K519 WeakPolarHBondContact CG1-O 3.19Å; V498-K519 WeakPolarHBondContact O-CD 3.31Å; V498-L521 HydrophobicContact CG1-CB 4.07Å; V498-L521 HydrophobicContact CG2-CB 3.99Å; V498-L521 HydrophobicContact CG2-CD2 4.4Å; V498-A538 HydrophobicContact CG2-CB 4.11Å
499H97.5Very high92.4Very high46 Ų4657 Ų5721%0.21332%0.315CS..EExtended strand (participates in β ladder)trans-116.6121.5170.8174.350.6000108.8H445 S451 I501 G539 L541H445-H499 AromaticContact CE1-CD2 3.32Å; H445-H499 PolarHBondContact CE1-CD2 3.01Å; H445-H499 AromaticContact CE1-CG 3.77Å; H445-H499 AromaticContact NE2-CD2 3.16Å; H445-H499 PolarHBondContact NE2-CD2 3.24Å; H445-H499 AromaticContact NE2-CG 3.66Å; H445-H499 AromaticContact NE2-NE2 3.67Å; S451-H499 WeakPolarHBondContact CB-NE2 3.37Å; S451-H499 PolarHBondContact OG-CD2 2.7Å; S451-H499 PolarHBondContact OG-NE2 3.14Å; H499-I501 WeakPolarHBondContact CD2-CD1 3.42Å; H499-I501 PolarHBondContact O-N 3.03Å; H499-G539 PolarHBondContact N-O 3.02Å; H499-G539 PolarHBondContact O-N 3.01Å; H499-L541 HydrophobicContact CB-CB 4.23Å
500R97.4Very high93.3Very high97 Ų9753.2 Ų53.237%0.36630%0.296SS..EExtended strand (participates in β ladder)trans-64.2121.5172.1-178.9166.5176.3-94.95.4111.1T502 S510 E512 L521R500-T502 HydrophobicContact CG-CG2 4.33Å; R500-S510 VanDerWaalsContact CZ-O 3.29Å; R500-S510 PolarHBondContact NE-O 2.95Å; R500-S510 PolarHBondContact NH2-O 3.13Å; R500-E512 HydrophobicContact CB-CB 4.28Å; R500-E512 WeakPolarHBondContact CB-OE2 3.03Å; R500-E512 PolarHBondContact N-OE2 2.91Å; R500-L521 HydrophobicContact CB-CD1 3.6Å; R500-L521 HydrophobicContact CG-CD1 3.68Å
501I96.9Very high93.6Very high15 Ų1556.8 Ų56.88%0.07731%0.312CS..  trans-99132.5176.9-46.5-63.9000108.8S451 A454 H499 V506 C537S451-I501 WeakPolarHBondContact OG-CD1 3.18Å; A454-I501 HydrophobicContact CB-CB 4.46Å; A454-I501 HydrophobicContact CB-CG1 3.99Å; H499-I501 WeakPolarHBondContact CD2-CD1 3.42Å; H499-I501 PolarHBondContact O-N 3.03Å; I501-V506 HydrophobicContact CB-CG2 4.46Å; I501-V506 HydrophobicContact CG2-CG2 3.9Å; I501-C537 PolarHBondContact N-O 3.37Å
502T93.1Very high93.8Very high93 Ų9354 Ų5457%0.57131%0.305SS*.  trans-135148.4175.354.80000110.3R500R500-T502 HydrophobicContact CG-CG2 4.33Å
503G89.1Confident93.9Very high45 Ų4554.7 Ų54.746%0.46431%0.308SS..SBendtrans161.8173.2176.700000112T505 V506G503-T505 PolarHBondContact O-N 3.23Å; G503-V506 PolarHBondContact O-N 2.98Å
504K86.6Confident94Very high225 Ų22559 Ų5998%0.97833%0.329SS*.THydrogen-bonded Turntrans-60.8-14.5-179-61.5-175.7179.7-177.10114.4
505T87.6Confident94Very high131 Ų13160.2 Ų60.280%0.80433%0.33SS*.THydrogen-bonded Turntrans-105.53.3179.5500000113.5G503G503-T505 PolarHBondContact O-N 3.23Å
506V95.3Very high93.8Very high32 Ų3264.5 Ų64.519%0.19436%0.363CS..  trans-100.9117.1172.8-178.30000108I501 G503 C537I501-V506 HydrophobicContact CB-CG2 4.46Å; I501-V506 HydrophobicContact CG2-CG2 3.9Å; G503-V506 PolarHBondContact O-N 2.98Å; V506-C537 HydrophobicContact CG1-CB 3.72Å
507S92.8Very high93.3Very high96 Ų9668.1 Ų68.167%0.67138%0.382SS*.  trans-90.3-29.8179.262.10000112.8A509 D536S507-A509 PolarHBondContact O-N 3.42Å; S507-D536 WeakPolarHBondContact CB-OD2 3.41Å; S507-D536 PolarHBondContact N-OD2 2.85Å; S507-D536 PolarHBondContact OG-OD2 2.82Å
508T95.2Very high93.2Very high24 Ų2468.5 Ų68.515%0.14739%0.386CS..SBendtrans-86.9114.8-172.1-47.70000111.8I523 I534 D536 C537T508-I523 HydrophobicContact CG2-CG2 3.61Å; T508-I534 PolarHBondContact OG1-O 2.81Å; T508-D536 WeakPolarHBondContact CB-OD1 3.2Å; T508-D536 PolarHBondContact N-OD1 3.29Å; T508-D536 VanDerWaalsContact N-OD1 3.1Å; T508-D536 PolarHBondContact OG1-OD1 2.86Å; T508-C537 WeakPolarHBondContact O-CB 3.49Å
509A94.8Very high93.1Very high56 Ų5669.9 Ų69.946%0.46339%0.392SS..  trans-56.9139.7170.300000110.8S507 P524S507-A509 PolarHBondContact O-N 3.42Å; A509-P524 VanDerWaalsContact O-CD 3.23Å; A509-P524 WeakPolarHBondContact O-CD 3.35Å
510S96.9Very high93.1Very high10 Ų1067.8 Ų67.87%0.0738%0.382CS..  trans-157.8156-179.957.40000112.4R500 E522R500-S510 VanDerWaalsContact CZ-O 3.29Å; R500-S510 PolarHBondContact NE-O 2.95Å; R500-S510 PolarHBondContact NH2-O 3.13Å; S510-E522 CarbonylContact C-O 3.58Å; S510-E522 WeakPolarHBondContact CA-O 3.31Å
511H95.4Very high93.2Very high90 Ų9063.1 Ų63.142%0.41737%0.365SS..EExtended strand (participates in β ladder)trans-129.2143178.5-175.7-104.1000110.6V513 L521 E522H511-V513 VanDerWaalsContact ND1-CG2 3.32Å; H511-V513 WeakPolarHBondContact ND1-CG2 3.46Å; H511-L521 CarbonylContact O-C 3.49Å; H511-L521 WeakPolarHBondContact O-CA 3.49Å; H511-E522 PolarHBondContact N-O 2.99Å; H511-E522 PolarHBondContact O-N 2.82Å
512E96.8Very high93.2Very high61 Ų6164.3 Ų64.329%0.28537%0.37SS..EExtended strand (participates in β ladder)trans-102.3122.4179.3-169.1175.2110.600109.7R500 K519 I520R500-E512 HydrophobicContact CB-CB 4.28Å; R500-E512 WeakPolarHBondContact CB-OE2 3.03Å; R500-E512 PolarHBondContact N-OE2 2.91Å; E512-K519 HydrophobicContact CG-CD 4.48Å; E512-K519 WeakPolarHBondContact OE1-CD 3.48Å; E512-K519 VanDerWaalsContact OE1-CE 3.27Å; E512-K519 WeakPolarHBondContact OE1-CE 3.45Å; E512-K519 IonicContact OE1-NZ 3.42Å; E512-K519 PolarHBondContact OE1-NZ 2.77Å; E512-K519 IonicContact OE2-NZ 3.49Å; E512-I520 WeakPolarHBondContact CA-O 3.38Å
513V95.6Very high93.5Very high46 Ų4660 Ų6028%0.27934%0.343SS..EExtended strand (participates in β ladder)trans-119.6142.5-179.2-178.80000109.4H511 I520 E522H511-V513 VanDerWaalsContact ND1-CG2 3.32Å; H511-V513 WeakPolarHBondContact ND1-CG2 3.46Å; V513-I520 PolarHBondContact N-O 2.82Å; V513-I520 PolarHBondContact O-N 2.98Å; V513-E522 HydrophobicContact CG2-CG 4.02Å; V513-E522 WeakPolarHBondContact CG2-OE2 3.43Å
514M93Very high93.9Very high104 Ų10459.6 Ų59.651%0.51233%0.332SS..EExtended strand (participates in β ladder)trans-101.6112.9173.4-170.968.36900109.8N517 T518 K519M514-N517 VanDerWaalsContact SD-C 3.55Å; M514-T518 VanDerWaalsContact SD-C 3.54Å; M514-K519 HydrophobicContact CE-CD 4.48Å; M514-K519 HydrophobicContact CE-CG 3.61Å; M514-K519 HydrophobicContact SD-CG 4.17Å
515Q89.9Confident94.4Very high52 Ų5248.9 Ų48.924%0.24329%0.286CS..EExtended strand (participates in β ladder)trans-119.5125.3173-169.7-175.615.100109.1L419 N517 T518 I520L419-Q515 HydrophobicContact CD1-CB 4.36Å; Q515-N517 VanDerWaalsContact C-N 3.29Å; Q515-N517 PolarHBondContact O-N 2.86Å; Q515-T518 PolarHBondContact N-O 2.79Å; Q515-T518 WeakPolarHBondContact O-CA 3.45Å; Q515-T518 VanDerWaalsContact O-CB 3.31Å; Q515-T518 WeakPolarHBondContact O-CB 3.47Å; Q515-T518 PolarHBondContact O-N 2.94Å; Q515-T518 VanDerWaalsContact O-O 3.1Å; Q515-I520 HydrophobicContact CB-CD1 3.74Å; Q515-I520 HydrophobicContact CB-CG1 4.49Å
516S86.1Confident94.8Very high108 Ų10844.2 Ų44.276%0.75526%0.256SS*.THydrogen-bonded Turntrans48.446.9177.6-56.10000113.8T518S516-T518 PolarHBondContact O-N 3.19Å; S516-T518 VanDerWaalsContact O-N 3.13Å
517N85.8Confident94.8Very high85 Ų8544.3 Ų44.346%0.45526%0.257SS..THydrogen-bonded Turntrans61.615.3-178.2-142-14000114.9Q497 M514 Q515 R551Q497-N517 PolarHBondContact NE2-O 2.93Å; M514-N517 VanDerWaalsContact SD-C 3.55Å; Q515-N517 VanDerWaalsContact C-N 3.29Å; Q515-N517 PolarHBondContact O-N 2.86Å; N517-R551 PolarHBondContact OD1-NH1 2.87Å
518T93.3Very high94.9Very high22 Ų2246.2 Ų46.214%0.13526%0.255CS..EExtended strand (participates in β ladder)trans-111.3130.7174.4-58.20000109.6L419 F481 P492 M514 Q515 S516L419-T518 HydrophobicContact CD1-CG2 3.96Å; F481-T518 HydrophobicContact CB-CG2 4.21Å; P492-T518 HydrophobicContact CB-CG2 3.82Å; P492-T518 WeakPolarHBondContact CB-OG1 3.3Å; P492-T518 HydrophobicContact CG-CG2 4.2Å; M514-T518 VanDerWaalsContact SD-C 3.54Å; Q515-T518 PolarHBondContact N-O 2.79Å; Q515-T518 WeakPolarHBondContact O-CA 3.45Å; Q515-T518 VanDerWaalsContact O-CB 3.31Å; Q515-T518 WeakPolarHBondContact O-CB 3.47Å; Q515-T518 PolarHBondContact O-N 2.94Å; Q515-T518 VanDerWaalsContact O-O 3.1Å; S516-T518 PolarHBondContact O-N 3.19Å; S516-T518 VanDerWaalsContact O-N 3.13Å
519K96.3Very high94.9Very high30 Ų3049.5 Ų49.513%0.1327%0.272CS..EExtended strand (participates in β ladder)trans-73.8130.6169.3-67.8-176.8174.9-146.80110.2Q497 V498 E512 M514Q497-K519 HydrophobicContact CB-CB 4.25Å; Q497-K519 HydrophobicContact CB-CD 4.17Å; Q497-K519 HydrophobicContact CB-CG 4.38Å; Q497-K519 HydrophobicContact CG-CB 4.48Å; Q497-K519 HydrophobicContact CG-CG 4.47Å; Q497-K519 VanDerWaalsContact OE1-CD 3.32Å; V498-K519 HydrophobicContact CG1-CB 3.84Å; V498-K519 WeakPolarHBondContact CG1-O 3.19Å; V498-K519 WeakPolarHBondContact O-CD 3.31Å; E512-K519 HydrophobicContact CG-CD 4.48Å; E512-K519 WeakPolarHBondContact OE1-CD 3.48Å; E512-K519 VanDerWaalsContact OE1-CE 3.27Å; E512-K519 WeakPolarHBondContact OE1-CE 3.45Å; E512-K519 IonicContact OE1-NZ 3.42Å; E512-K519 PolarHBondContact OE1-NZ 2.77Å; E512-K519 IonicContact OE2-NZ 3.49Å; M514-K519 HydrophobicContact CE-CD 4.48Å; M514-K519 HydrophobicContact CE-CG 3.61Å; M514-K519 HydrophobicContact SD-CG 4.17Å
520I97.8Very high94.9Very high1 Ų152.5 Ų52.51%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-114.9137.6169.7-59.3179.7000107.5L419 Q479 L480 F481 E512 V513 Q515 E522L419-I520 HydrophobicContact CD1-CD1 4.04Å; L419-I520 HydrophobicContact CD1-CG1 4.39Å; L419-I520 HydrophobicContact CD2-CD1 3.7Å; L419-I520 HydrophobicContact CD2-CG1 4.48Å; L419-I520 HydrophobicContact CG-CD1 4.45Å; Q479-I520 HydrophobicContact CB-CG2 3.71Å; Q479-I520 HydrophobicContact CG-CG2 3.95Å; L480-I520 CarbonylContact O-C 3.59Å; L480-I520 WeakPolarHBondContact O-CA 3.41Å; F481-I520 HydrophobicContact CB-CG1 4.41Å; E512-I520 WeakPolarHBondContact CA-O 3.38Å; V513-I520 PolarHBondContact N-O 2.82Å; V513-I520 PolarHBondContact O-N 2.98Å; Q515-I520 HydrophobicContact CB-CD1 3.74Å; Q515-I520 HydrophobicContact CB-CG1 4.49Å; I520-E522 HydrophobicContact CG2-CG 4.25Å
521L98.3Very high94.9Very high0 Ų052.3 Ų52.30%028%0.279CS..EExtended strand (participates in β ladder)trans-100.5116.2167.2-167.972.4000108.3L480 V498 R500 H511 I523 C537 A538L480-L521 HydrophobicContact CB-CB 4.35Å; L480-L521 HydrophobicContact CD2-CD2 4.45Å; L480-L521 PolarHBondContact N-O 2.84Å; L480-L521 PolarHBondContact O-N 3.02Å; V498-L521 HydrophobicContact CG1-CB 4.07Å; V498-L521 HydrophobicContact CG2-CB 3.99Å; V498-L521 HydrophobicContact CG2-CD2 4.4Å; R500-L521 HydrophobicContact CB-CD1 3.6Å; R500-L521 HydrophobicContact CG-CD1 3.68Å; H511-L521 CarbonylContact O-C 3.49Å; H511-L521 WeakPolarHBondContact O-CA 3.49Å; L521-I523 HydrophobicContact CD2-CD1 4.19Å; L521-I523 HydrophobicContact CD2-CG1 4.35Å; L521-I523 HydrophobicContact CG-CG1 4.3Å; L521-C537 HydrophobicContact CD2-CB 4.45Å; L521-C537 WeakPolarHBondContact CD2-O 3.26Å; L521-A538 HydrophobicContact CD2-CB 3.66Å
522E98.1Very high95.1Very high40 Ų4052.5 Ų52.519%0.18728%0.276CS..EExtended strand (participates in β ladder)trans-90.4128.3175.2-66.7-166.7141.100109.9T477 Q479 S510 H511 V513 I520T477-E522 HydrophobicContact CG2-CB 3.69Å; T477-E522 HydrophobicContact CG2-CG 3.86Å; Q479-E522 HydrophobicContact CG-CG 4.35Å; S510-E522 CarbonylContact C-O 3.58Å; S510-E522 WeakPolarHBondContact CA-O 3.31Å; H511-E522 PolarHBondContact N-O 2.99Å; H511-E522 PolarHBondContact O-N 2.82Å; V513-E522 HydrophobicContact CG2-CG 4.02Å; V513-E522 WeakPolarHBondContact CG2-OE2 3.43Å; I520-E522 HydrophobicContact CG2-CG 4.25Å
523I98.4Very high95.1Very high1 Ų149.9 Ų49.91%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-129.5130.1-174.7-61.2170.9000107.9L478 L480 T508 L521 A533 I535L478-I523 HydrophobicContact CB-CB 4.31Å; L478-I523 WeakPolarHBondContact CB-O 3.08Å; L478-I523 PolarHBondContact N-O 2.96Å; L478-I523 PolarHBondContact O-N 3.43Å; L480-I523 HydrophobicContact CD2-CD1 4.36Å; T508-I523 HydrophobicContact CG2-CG2 3.61Å; L521-I523 HydrophobicContact CD2-CD1 4.19Å; L521-I523 HydrophobicContact CD2-CG1 4.35Å; L521-I523 HydrophobicContact CG-CG1 4.3Å; I523-A533 HydrophobicContact CG2-CB 4.02Å; I523-I535 HydrophobicContact CD1-CD1 3.93Å
524P97.5Very high95.2Very high38 Ų3850.9 Ų50.925%0.24727%0.267CS..EExtended strand (participates in β ladder)trans-73.3131.2176.729.9-32.5000111.4A509 L526A509-P524 VanDerWaalsContact O-CD 3.23Å; A509-P524 WeakPolarHBondContact O-CD 3.35Å; P524-L526 HydrophobicContact CB-CD2 4.1Å; P524-L526 HydrophobicContact CB-CG 4.44Å
525L97.3Very high95.4Very high0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-94.8116.6161.5-66175.2000108.1L467 P475 L476 L478 M531 A533 V570L467-L525 HydrophobicContact CB-CD1 4.31Å; P475-L525 WeakPolarHBondContact CA-O 3.28Å; L476-L525 HydrophobicContact CB-CB 4.43Å; L476-L525 PolarHBondContact N-O 2.87Å; L476-L525 PolarHBondContact O-N 3Å; L478-L525 HydrophobicContact CB-CD1 4.03Å; L478-L525 HydrophobicContact CB-CD2 4.3Å; L478-L525 HydrophobicContact CB-CG 3.86Å; L478-L525 HydrophobicContact CD1-CD1 4.33Å; L478-L525 HydrophobicContact CD2-CD2 4.31Å; L525-M531 HydrophobicContact CB-CE 3.59Å; L525-M531 HydrophobicContact CB-SD 4.22Å; L525-M531 HydrophobicContact CD1-CE 4.47Å; L525-A533 HydrophobicContact CD2-CB 3.77Å; L525-V570 HydrophobicContact CD1-CG2 4.19Å
526L96.4Very high95.8Very high32 Ų3244 Ų4417%0.16823%0.234CC..  trans-104.4130.3-176.3-61.4-174.7000109.9P475 P524 E528 N529 M531P475-L526 HydrophobicContact CB-CD2 3.75Å; P524-L526 HydrophobicContact CB-CD2 4.1Å; P524-L526 HydrophobicContact CB-CG 4.44Å; L526-E528 WeakPolarHBondContact CB-OE2 3.19Å; L526-E528 PolarHBondContact O-N 2.91Å; L526-N529 HydrophobicContact CB-CB 4.36Å; L526-N529 CarbonylContact O-C 3.52Å; L526-N529 WeakPolarHBondContact O-CA 3.31Å; L526-N529 PolarHBondContact O-N 2.81Å; L526-M531 VanDerWaalsContact C-SD 3.58Å; L526-M531 PolarHBondContact O-N 3.03Å; L526-M531 VanDerWaalsContact O-N 3.08Å
527P95.4Very high96.4Very high35 Ų3538.8 Ų38.823%0.22720%0.198CC..G310 helixtrans-57.8-33.1176.3-26.936000113.2N529 N530 M531P527-N529 PolarHBondContact O-N 2.85Å; P527-N530 WeakPolarHBondContact O-CA 3.47Å; P527-N530 PolarHBondContact O-N 2.8Å; P527-M531 HydrophobicContact CB-SD 4.22Å; P527-M531 HydrophobicContact CG-SD 3.75Å; P527-M531 VanDerWaalsContact N-SD 3.4Å
528E94.9Very high96.9Very high136 Ų13634.8 Ų34.864%0.63618%0.177SC*.G310 helixtrans-60.1-31.6175-57.974.5-164.700111.9L526 N530L526-E528 WeakPolarHBondContact CB-OE2 3.19Å; L526-E528 PolarHBondContact O-N 2.91Å; E528-N530 VanDerWaalsContact C-N 3.27Å; E528-N530 PolarHBondContact O-N 2.82Å
529N94.6Very high97.2Very high93 Ų9333.8 Ų33.850%0.49717%0.171SC..G310 helixtrans-89.316.6173.8-72-46.4000112.4L526 P527 M531 R532L526-N529 HydrophobicContact CB-CB 4.36Å; L526-N529 CarbonylContact O-C 3.52Å; L526-N529 WeakPolarHBondContact O-CA 3.31Å; L526-N529 PolarHBondContact O-N 2.81Å; P527-N529 PolarHBondContact O-N 2.85Å; N529-M531 VanDerWaalsContact C-N 3.26Å; N529-M531 PolarHBondContact O-N 3.27Å; N529-R532 VanDerWaalsContact O-CB 3.23Å; N529-R532 WeakPolarHBondContact O-CB 3.44Å; N529-R532 PolarHBondContact O-N 3.46Å
530N95.6Very high97.3Very high119 Ų11932.4 Ų32.464%0.63617%0.165SC*.THydrogen-bonded Turntrans5736.4-174.7-56.8-97.4000112.8Q466 P527 E528 R532Q466-N530 PolarHBondContact NE2-O 3.07Å; P527-N530 WeakPolarHBondContact O-CA 3.47Å; P527-N530 PolarHBondContact O-N 2.8Å; E528-N530 VanDerWaalsContact C-N 3.27Å; E528-N530 PolarHBondContact O-N 2.82Å; N530-R532 PolarHBondContact O-N 2.88Å
531M97.4Very high97.2Very high6 Ų632.5 Ų32.53%0.0317%0.165CC..THydrogen-bonded Turntrans53.539-175.8-59.2-57.9-76.100113.7Q466 L467 Y470 L476 L525 L526 P527 N529Q466-M531 WeakPolarHBondContact CA-O 3.31Å; L467-M531 HydrophobicContact CB-CB 4.12Å; L467-M531 HydrophobicContact CD2-CE 4.3Å; L467-M531 PolarHBondContact N-O 2.84Å; L467-M531 WeakPolarHBondContact O-CB 3.23Å; Y470-M531 HydrophobicContact CD1-CE 3.57Å; Y470-M531 HydrophobicContact CD1-CG 3.91Å; Y470-M531 HydrophobicContact CD1-SD 3.91Å; Y470-M531 HydrophobicContact CE1-CE 3.77Å; Y470-M531 HydrophobicContact CE1-SD 4.26Å; Y470-M531 HydrophobicContact CG-CE 4.37Å; L476-M531 HydrophobicContact CB-CE 3.78Å; L476-M531 HydrophobicContact CD1-CE 3.66Å; L476-M531 HydrophobicContact CG-CE 3.64Å; L525-M531 HydrophobicContact CB-CE 3.59Å; L525-M531 HydrophobicContact CB-SD 4.22Å; L525-M531 HydrophobicContact CD1-CE 4.47Å; L526-M531 VanDerWaalsContact C-SD 3.58Å; L526-M531 PolarHBondContact O-N 3.03Å; L526-M531 VanDerWaalsContact O-N 3.08Å; P527-M531 HydrophobicContact CB-SD 4.22Å; P527-M531 HydrophobicContact CG-SD 3.75Å; P527-M531 VanDerWaalsContact N-SD 3.4Å; N529-M531 VanDerWaalsContact C-N 3.26Å; N529-M531 PolarHBondContact O-N 3.27Å
532R97.6Very high97Very high94 Ų9433.7 Ų33.736%0.35517%0.17SC..EExtended strand (participates in β ladder)trans-121.1129.2-176.4-175.3-178.9164.9-77.52.8111.4V464 V465 Q466 N529 N530V464-R532 HydrophobicContact CG1-CG 3.72Å; V465-R532 CarbonylContact O-C 3.57Å; V465-R532 WeakPolarHBondContact O-CA 3.4Å; Q466-R532 HydrophobicContact CB-CB 4.13Å; Q466-R532 HydrophobicContact CB-CG 4.09Å; Q466-R532 HydrophobicContact CG-CB 3.89Å; Q466-R532 HydrophobicContact CG-CG 4.29Å; N529-R532 VanDerWaalsContact O-CB 3.23Å; N529-R532 WeakPolarHBondContact O-CB 3.44Å; N529-R532 PolarHBondContact O-N 3.46Å; N530-R532 PolarHBondContact O-N 2.88Å
533A97.8Very high96.7Very high5 Ų532.2 Ų32.24%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-111.1143.2174.400000111.8V464 V465 L478 I523 L525 I535V464-A533 WeakPolarHBondContact CA-O 3.47Å; V465-A533 PolarHBondContact N-O 2.71Å; V465-A533 PolarHBondContact O-N 2.98Å; L478-A533 HydrophobicContact CD2-CB 4.15Å; I523-A533 HydrophobicContact CG2-CB 4.02Å; L525-A533 HydrophobicContact CD2-CB 3.77Å; A533-I535 HydrophobicContact CB-CD1 3.96Å
534I97.8Very high96.3Very high67 Ų6738.3 Ų38.334%0.34419%0.187SC..EExtended strand (participates in β ladder)trans-100.5124.6168.4-58.8178.8000106.9H462 V464 T508 D536H462-I534 HydrophobicContact CB-CG2 3.77Å; V464-I534 HydrophobicContact CG2-CG1 4.32Å; T508-I534 PolarHBondContact OG1-O 2.81Å; I534-D536 VanDerWaalsContact C-N 3.29Å; I534-D536 PolarHBondContact O-N 2.92Å
535I98Very high95.6Very high0 Ų039.4 Ų39.40%019%0.19CC..  trans-91.365.1-169.8-45.6-58000110.1H462 P463 V465 L478 L480 I523 A533 A538 F568H462-I535 PolarHBondContact ND1-O 3.28Å; P463-I535 HydrophobicContact CB-CB 4.16Å; P463-I535 HydrophobicContact CB-CG1 4.31Å; P463-I535 HydrophobicContact CG-CB 4.47Å; P463-I535 PolarHBondContact O-N 2.8Å; V465-I535 HydrophobicContact CG2-CD1 4.36Å; V465-I535 HydrophobicContact CG2-CG1 4.23Å; L478-I535 HydrophobicContact CD2-CD1 4.13Å; L480-I535 HydrophobicContact CD2-CG2 3.79Å; I523-I535 HydrophobicContact CD1-CD1 3.93Å; A533-I535 HydrophobicContact CB-CD1 3.96Å; I535-A538 HydrophobicContact CG2-CB 3.79Å; I535-F568 HydrophobicContact CD1-CE1 3.85Å; I535-F568 HydrophobicContact CG1-CE1 3.83Å; I535-F568 HydrophobicContact CG1-CZ 4.04Å; I535-F568 HydrophobicContact CG2-CE1 4.38Å
536D97.6Very high95Very high11 Ų1142 Ų426%0.05921%0.208CC..  trans-91.1-6176.771.4-11.4000114.1A454 H462 S507 T508 I534A454-D536 WeakPolarHBondContact CB-O 3.49Å; H462-D536 HydrophobicContact CB-CB 4.36Å; S507-D536 WeakPolarHBondContact CB-OD2 3.41Å; S507-D536 PolarHBondContact N-OD2 2.85Å; S507-D536 PolarHBondContact OG-OD2 2.82Å; T508-D536 WeakPolarHBondContact CB-OD1 3.2Å; T508-D536 PolarHBondContact N-OD1 3.29Å; T508-D536 VanDerWaalsContact N-OD1 3.1Å; T508-D536 PolarHBondContact OG1-OD1 2.86Å; I534-D536 VanDerWaalsContact C-N 3.29Å; I534-D536 PolarHBondContact O-N 2.92Å
537C97.8Very high94.3Very high0 Ų041.7 Ų41.70%021%0.207CC..SBendtrans-101.35.4-176.659.30000115.1I501 V506 T508 L521I501-C537 PolarHBondContact N-O 3.37Å; V506-C537 HydrophobicContact CG1-CB 3.72Å; T508-C537 WeakPolarHBondContact O-CB 3.49Å; L521-C537 HydrophobicContact CD2-CB 4.45Å; L521-C537 WeakPolarHBondContact CD2-O 3.26Å
538A98.2Very high93.6Very high1 Ų140.1 Ų40.11%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-126.2123.4-173.400000114A454 V455 L480 V498 L521 I535A454-A538 CarbonylContact C-O 3.47Å; A454-A538 WeakPolarHBondContact CA-O 3.49Å; A454-A538 WeakPolarHBondContact CB-O 3.42Å; V455-A538 PolarHBondContact N-O 2.76Å; L480-A538 HydrophobicContact CD2-CB 3.43Å; L480-A538 VanDerWaalsContact CD2-CB 3.43Å; V498-A538 HydrophobicContact CG2-CB 4.11Å; L521-A538 HydrophobicContact CD2-CB 3.66Å; I535-A538 HydrophobicContact CG2-CB 3.79Å
539G97.8Very high92.8Very high1 Ų137.1 Ų37.11%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-119.5-179169.400000112.1H499H499-G539 PolarHBondContact N-O 3.02Å; H499-G539 PolarHBondContact O-N 3.01Å
540I98.1Very high91.8Very high0 Ų040 Ų400%020%0.197CC..EExtended strand (participates in β ladder)trans-117.2122.3-173.7-48.9-179.6000111.2H442 A444 H445 V455 I482 Y496 V564 I589H442-I540 HydrophobicContact CB-CD1 4.49Å; H442-I540 PolarHBondContact NE2-N 2.99Å; A444-I540 VanDerWaalsContact CA-O 3.3Å; A444-I540 WeakPolarHBondContact CA-O 3.48Å; A444-I540 HydrophobicContact CB-CB 4.16Å; A444-I540 HydrophobicContact CB-CG2 3.97Å; A444-I540 WeakPolarHBondContact CB-O 3.41Å; H445-I540 PolarHBondContact CE1-O 2.7Å; H445-I540 PolarHBondContact N-O 3.49Å; H445-I540 PolarHBondContact ND1-O 2.74Å; V455-I540 HydrophobicContact CG2-CD1 3.94Å; V455-I540 HydrophobicContact CG2-CG1 3.83Å; I482-I540 HydrophobicContact CD1-CG1 4.13Å; Y496-I540 HydrophobicContact CD1-CG2 3.9Å; Y496-I540 HydrophobicContact CG-CG2 4.4Å; I540-V564 HydrophobicContact CD1-CG2 3.92Å; I540-I589 HydrophobicContact CD1-CD1 4.16Å; I540-I589 HydrophobicContact CD1-CG2 4.34Å
541L96.4Very high90.6Very high4 Ų438.7 Ų38.72%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-97.5131.4177.2-165.670.5000110.7H445 E447 Y496 Q497 H499H445-L541 CarbonylContact O-C 3.48Å; H445-L541 WeakPolarHBondContact O-CA 3.46Å; E447-L541 HydrophobicContact CG-CD1 3.75Å; E447-L541 HydrophobicContact CG-CD2 3.81Å; E447-L541 HydrophobicContact CG-CG 4.16Å; Y496-L541 CarbonylContact C-O 3.5Å; Y496-L541 WeakPolarHBondContact CA-O 3.43Å; Y496-L541 WeakPolarHBondContact CD1-O 3.32Å; Q497-L541 HydrophobicContact CB-CB 4.49Å; Q497-L541 PolarHBondContact N-O 2.76Å; Q497-L541 WeakPolarHBondContact O-CB 3.47Å; Q497-L541 PolarHBondContact O-N 3.06Å; H499-L541 HydrophobicContact CB-CB 4.23Å
542K94.4Very high88.9Confident24 Ų2444.2 Ų44.210%0.10421%0.207CC..EExtended strand (participates in β ladder)trans-94.6117.2166.7177.973.1-175.177.10108.4A444 H445 Y446 Y496 N545A444-K542 HydrophobicContact CB-CB 4.33Å; H445-K542 PolarHBondContact O-N 3.16Å; Y446-K542 HydrophobicContact CD1-CB 4.15Å; Y446-K542 HydrophobicContact CD1-CG 3.97Å; Y446-K542 VanDerWaalsContact CD1-O 3.25Å; Y446-K542 WeakPolarHBondContact CD1-O 3.37Å; Y446-K542 HydrophobicContact CE1-CB 4.02Å; Y446-K542 HydrophobicContact CE1-CG 3.35Å; Y496-K542 HydrophobicContact CD1-CB 4.03Å; Y496-K542 HydrophobicContact CD1-CD 3.92Å; Y496-K542 HydrophobicContact CE1-CB 3.83Å; Y496-K542 HydrophobicContact CE1-CD 3.41Å; Y496-K542 VanDerWaalsContact CE1-CD 3.41Å; Y496-K542 HydrophobicContact CE1-CG 4.16Å; Y496-K542 HydrophobicContact CE2-CD 4.26Å; K542-N545 PolarHBondContact NZ-OD1 2.99Å
543L91.8Very high87Confident9 Ų942.7 Ų42.75%0.04722%0.22CC..PPolyproline II helixtrans-70.5145.8170.8-68.1164.2000109.8A494 F495 Q497 I548A494-L543 WeakPolarHBondContact O-CD1 3.37Å; F495-L543 PolarHBondContact O-N 3.05Å; F495-L543 VanDerWaalsContact O-N 3.14Å; Q497-L543 HydrophobicContact CG-CD1 3.88Å; Q497-L543 HydrophobicContact CG-CG 4.41Å; L543-I548 HydrophobicContact CB-CD1 3.8Å; L543-I548 HydrophobicContact CB-CG1 3.91Å; L543-I548 HydrophobicContact CD1-CG1 4.34Å
544R89.1Confident85Confident130 Ų13045.4 Ų45.449%0.49123%0.233SC..PPolyproline II helixtrans-73.1151.7173.9-44.6173.6-64.5-178.55.9109.1Y446 S546 D547 I548Y446-R544 HydrophobicContact CD1-CG 4.12Å; R544-S546 PolarHBondContact O-N 2.98Å; R544-D547 WeakPolarHBondContact CB-OD2 3.39Å; R544-D547 VanDerWaalsContact CG-OD2 3.32Å; R544-D547 WeakPolarHBondContact CG-OD2 3.44Å; R544-D547 IonicContact CZ-OD1 3.15Å; R544-D547 IonicContact CZ-OD2 2.8Å; R544-D547 PolarHBondContact N-OD2 2.78Å; R544-D547 IonicContact NE-OD1 2.73Å; R544-D547 PolarHBondContact NE-OD1 3.05Å; R544-D547 VanDerWaalsContact NE-OD1 3.15Å; R544-D547 IonicContact NE-OD2 2.7Å; R544-D547 PolarHBondContact NE-OD2 3.3Å; R544-D547 IonicContact NH2-OD1 2.57Å; R544-D547 PolarHBondContact NH2-OD1 2.82Å; R544-D547 IonicContact NH2-OD2 3.38Å; R544-D547 PolarHBondContact O-N 3.49Å; R544-D547 VanDerWaalsContact O-N 3.15Å; R544-I548 WeakPolarHBondContact O-CG1 2.89Å
545N84.3Confident82.9Confident61 Ų6146.3 Ų46.333%0.32624%0.241SC..SBendtrans-67-37.7-172.7-64.4-4.6000112.1K542 D547 I548 E549K542-N545 PolarHBondContact NZ-OD1 2.99Å; N545-D547 PolarHBondContact O-N 2.91Å; N545-I548 PolarHBondContact O-N 2.91Å; N545-E549 WeakPolarHBondContact O-CG 3.46Å; N545-E549 PolarHBondContact O-N 2.79Å
546S83.6Confident80.7Confident54 Ų5451.8 Ų51.838%0.37827%0.271SS..Hα-helixtrans-49.1-45.7169.550.20000112.6R544 I548 E549 L550R544-S546 PolarHBondContact O-N 2.98Å; S546-I548 PolarHBondContact O-N 3.33Å; S546-E549 PolarHBondContact O-N 2.89Å; S546-L550 WeakPolarHBondContact O-CB 3.47Å; S546-L550 VanDerWaalsContact O-CG 3.26Å; S546-L550 WeakPolarHBondContact O-CG 3.44Å; S546-L550 PolarHBondContact O-N 2.8Å
547D82.8Confident78.7Confident25 Ų2557 Ų5713%0.13430%0.297CS..Hα-helixtrans-73.3-10.4-174.1-42.9-25.3000111.9R544 N545 R551R544-D547 WeakPolarHBondContact CB-OD2 3.39Å; R544-D547 VanDerWaalsContact CG-OD2 3.32Å; R544-D547 WeakPolarHBondContact CG-OD2 3.44Å; R544-D547 IonicContact CZ-OD1 3.15Å; R544-D547 IonicContact CZ-OD2 2.8Å; R544-D547 PolarHBondContact N-OD2 2.78Å; R544-D547 IonicContact NE-OD1 2.73Å; R544-D547 PolarHBondContact NE-OD1 3.05Å; R544-D547 VanDerWaalsContact NE-OD1 3.15Å; R544-D547 IonicContact NE-OD2 2.7Å; R544-D547 PolarHBondContact NE-OD2 3.3Å; R544-D547 IonicContact NH2-OD1 2.57Å; R544-D547 PolarHBondContact NH2-OD1 2.82Å; R544-D547 IonicContact NH2-OD2 3.38Å; R544-D547 PolarHBondContact O-N 3.49Å; R544-D547 VanDerWaalsContact O-N 3.15Å; N545-D547 PolarHBondContact O-N 2.91Å; D547-R551 VanDerWaalsContact O-CZ 3.31Å; D547-R551 PolarHBondContact O-NE 3.44Å; D547-R551 PolarHBondContact O-NH2 2.65Å
548I80.4Confident76.6Confident3 Ų357.5 Ų57.52%0.01530%0.302CS..Hα-helixtrans-102.5-44179.3-57.6162000109.3F495 L543 R544 N545 S546 L550 R551 K552F495-I548 HydrophobicContact CB-CD1 4.09Å; F495-I548 HydrophobicContact CD1-CD1 3.14Å; F495-I548 HydrophobicContact CE1-CB 4.3Å; F495-I548 HydrophobicContact CE1-CD1 3.44Å; F495-I548 VanDerWaalsContact CE1-CD1 3.44Å; F495-I548 HydrophobicContact CE1-CG1 4.5Å; F495-I548 HydrophobicContact CE1-CG2 3.99Å; F495-I548 HydrophobicContact CG-CD1 3.79Å; F495-I548 HydrophobicContact CZ-CD1 4.31Å; F495-I548 HydrophobicContact CZ-CG2 3.92Å; L543-I548 HydrophobicContact CB-CD1 3.8Å; L543-I548 HydrophobicContact CB-CG1 3.91Å; L543-I548 HydrophobicContact CD1-CG1 4.34Å; R544-I548 WeakPolarHBondContact O-CG1 2.89Å; N545-I548 PolarHBondContact O-N 2.91Å; S546-I548 PolarHBondContact O-N 3.33Å; I548-L550 VanDerWaalsContact C-N 3.26Å; I548-L550 PolarHBondContact O-N 3.43Å; I548-R551 PolarHBondContact O-N 3.19Å; I548-K552 PolarHBondContact O-N 2.79Å
549E78.2Confident74.8Confident72 Ų7263.8 Ų63.834%0.33633%0.326SS..Hα-helixtrans-55.4-45173.5-70.9168157.300109.8N545 S546 R551 G553 R559N545-E549 WeakPolarHBondContact O-CG 3.46Å; N545-E549 PolarHBondContact O-N 2.79Å; S546-E549 PolarHBondContact O-N 2.89Å; E549-R551 VanDerWaalsContact C-N 3.32Å; E549-R551 PolarHBondContact O-N 3.48Å; E549-G553 PolarHBondContact O-N 3.05Å; E549-R559 IonicContact OE1-CZ 2.7Å; E549-R559 IonicContact OE1-NH1 2.65Å; E549-R559 IonicContact OE1-NH2 3.16Å; E549-R559 PolarHBondContact OE1-NH2 2.86Å
550L74Confident73.4Confident155 Ų15573.2 Ų73.281%0.81237%0.366SS*.Hα-helixtrans-64.9-22.8173.3-71.8170.6000115.5S546 I548S546-L550 WeakPolarHBondContact O-CB 3.47Å; S546-L550 VanDerWaalsContact O-CG 3.26Å; S546-L550 WeakPolarHBondContact O-CG 3.44Å; S546-L550 PolarHBondContact O-N 2.8Å; I548-L550 VanDerWaalsContact C-N 3.26Å; I548-L550 PolarHBondContact O-N 3.43Å
551R70.1Confident72.3Confident90 Ų9076.3 Ų76.334%0.3438%0.383SS..Hα-helixtrans-103.8-15.7-174.8-85.5-171.8-63.3140.64115.1N517 D547 I548 E549N517-R551 PolarHBondContact OD1-NH1 2.87Å; D547-R551 VanDerWaalsContact O-CZ 3.31Å; D547-R551 PolarHBondContact O-NE 3.44Å; D547-R551 PolarHBondContact O-NH2 2.65Å; I548-R551 PolarHBondContact O-N 3.19Å; E549-R551 VanDerWaalsContact C-N 3.32Å; E549-R551 PolarHBondContact O-N 3.48Å
552K61.6Low72Confident123 Ų12378.2 Ų78.254%0.53540%0.395SS..Hα-helixtrans-135.1-20.5-173.6-82-169.2118.9-155.30115.9A494 I548 E554A494-K552 HydrophobicContact CB-CD 4.36Å; I548-K552 PolarHBondContact O-N 2.79Å; K552-E554 HydrophobicContact CB-CB 3.94Å; K552-E554 WeakPolarHBondContact CD-OE2 3.46Å; K552-E554 WeakPolarHBondContact CE-OE2 3.33Å; K552-E554 IonicContact NZ-OE2 3.48Å; K552-E554 PolarHBondContact NZ-OE2 2.94Å; K552-E554 PolarHBondContact O-N 2.92Å
553G58.1Low71.8Confident61 Ų6180.1 Ų80.163%0.62940%0.402SS*.  trans62.34.9-169.300000114.8E549 T555E549-G553 PolarHBondContact O-N 3.05Å; G553-T555 PolarHBondContact O-N 3.06Å
554E56Low72Confident63 Ų6379.7 Ų79.729%0.29440%0.399SS..  trans-87.585.6-174.2-172.8179.3-169.100109.9K552 I557K552-E554 HydrophobicContact CB-CB 3.94Å; K552-E554 WeakPolarHBondContact CD-OE2 3.46Å; K552-E554 WeakPolarHBondContact CE-OE2 3.33Å; K552-E554 IonicContact NZ-OE2 3.48Å; K552-E554 PolarHBondContact NZ-OE2 2.94Å; K552-E554 PolarHBondContact O-N 2.92Å; E554-I557 HydrophobicContact CG-CD1 4.09Å
555T53.1Low72.3Confident86 Ų8674.5 Ų74.553%0.52838%0.38SS..  trans-77.6159.3-179.141.40000113.4G553 I557G553-T555 PolarHBondContact O-N 3.06Å; T555-I557 VanDerWaalsContact C-N 3.28Å; T555-I557 PolarHBondContact O-N 2.86Å
556D52.5Low73Confident115 Ų11571.7 Ų71.762%0.61536%0.364SS*.SBendtrans61.9-28.9174.9-73.8-27000121G558 R559D556-G558 PolarHBondContact O-N 2.88Å; D556-R559 PolarHBondContact O-N 2.91Å; D556-R559 IonicContact OD1-CZ 3.67Å; D556-R559 IonicContact OD1-NE 2.74Å; D556-R559 IonicContact OD1-NH1 3.34Å; D556-R559 PolarHBondContact OD1-NH1 2.8Å
557I53.8Low73.7Confident120 Ų12069.1 Ų69.162%0.61535%0.346SS*.THydrogen-bonded Turntrans-59.5-24.9-176.9-66.8173.6000112.9E554 T555E554-I557 HydrophobicContact CG-CD1 4.09Å; T555-I557 VanDerWaalsContact C-N 3.28Å; T555-I557 PolarHBondContact O-N 2.86Å
558G54.6Low74.4Confident11 Ų1167.9 Ų67.911%0.11334%0.34CS..THydrogen-bonded Turntrans-88.2-15.7-175.200000118.4D556 K560D556-G558 PolarHBondContact O-N 2.88Å; G558-K560 PolarHBondContact O-N 2.88Å
559R59.8Low75.2Confident133 Ų13367.8 Ų67.850%0.50234%0.339SS..SBendtrans-70.3-5.6-163.7-74179.7165.489.717.8114.9E549 D556E549-R559 IonicContact OE1-CZ 2.7Å; E549-R559 IonicContact OE1-NH1 2.65Å; E549-R559 IonicContact OE1-NH2 3.16Å; E549-R559 PolarHBondContact OE1-NH2 2.86Å; D556-R559 PolarHBondContact O-N 2.91Å; D556-R559 IonicContact OD1-CZ 3.67Å; D556-R559 IonicContact OD1-NE 2.74Å; D556-R559 IonicContact OD1-NH1 3.34Å; D556-R559 PolarHBondContact OD1-NH1 2.8Å
560K68.8Low76.2Confident198 Ų19864.3 Ų64.386%0.86132%0.323SS*.SBendtrans-139.5-11.2-175.9-64177.4-174.8167.40116.3G558 T562G558-K560 PolarHBondContact O-N 2.88Å; K560-T562 PolarHBondContact O-N 2.95Å
561N75.8Confident77.3Confident66 Ų6658 Ų5835%0.35329%0.29SS..  trans-92107.3-179.5-170.310.8000111.7R563N561-R563 PolarHBondContact OD1-N 2.7Å; N561-R563 VanDerWaalsContact OD1-N 3.11Å; N561-R563 PolarHBondContact OD1-O 3.27Å
562T88.5Confident78.5Confident43 Ų4353.7 Ų53.726%0.26427%0.273SS..  trans-109.410.5179.151.60000112.9K560 E590 C591K560-T562 PolarHBondContact O-N 2.95Å; T562-E590 VanDerWaalsContact CB-OE1 3.24Å; T562-E590 WeakPolarHBondContact CB-OE1 3.08Å; T562-E590 VanDerWaalsContact OG1-CD 3.27Å; T562-E590 PolarHBondContact OG1-OE1 2.94Å; T562-E590 PolarHBondContact OG1-OE2 2.91Å; T562-C591 WeakPolarHBondContact O-CB 3.15Å; T562-C591 PolarHBondContact O-N 2.99Å
563R91.1Very high80Confident65 Ų6552.9 Ų52.925%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-107.9134.3179.6-62.7-174.371.6-1787.1112A485 N561 P588 I589 E590A485-R563 HydrophobicContact CB-CB 3.65Å; A485-R563 WeakPolarHBondContact CB-O 3.47Å; N561-R563 PolarHBondContact OD1-N 2.7Å; N561-R563 VanDerWaalsContact OD1-N 3.11Å; N561-R563 PolarHBondContact OD1-O 3.27Å; R563-P588 PolarHBondContact NH2-O 2.94Å; R563-I589 CarbonylContact C-O 3.59Å; R563-I589 VanDerWaalsContact CA-O 3.27Å; R563-I589 WeakPolarHBondContact CA-O 3.48Å; R563-E590 HydrophobicContact CG-CB 4.37Å; R563-E590 WeakPolarHBondContact CG-OE2 3.16Å
564V95.4Very high81.4Confident0 Ų052.4 Ų52.40%026%0.256CS..EExtended strand (participates in β ladder)trans-133.7172.2-177.4-51.80000111.5I482 G483 Y496 I540 P588 I589I482-V564 HydrophobicContact CG2-CB 3.58Å; I482-V564 HydrophobicContact CG2-CG1 3.85Å; I482-V564 HydrophobicContact CG2-CG2 3.85Å; G483-V564 CarbonylContact O-C 3.56Å; G483-V564 WeakPolarHBondContact O-CA 3.26Å; G483-V564 WeakPolarHBondContact O-CB 3.41Å; Y496-V564 HydrophobicContact CD2-CG1 3.32Å; Y496-V564 HydrophobicContact CE2-CG1 3.89Å; Y496-V564 HydrophobicContact CG-CG1 3.74Å; I540-V564 HydrophobicContact CD1-CG2 3.92Å; V564-P588 CarbonylContact O-C 3.56Å; V564-P588 VanDerWaalsContact O-CA 3.28Å; V564-P588 WeakPolarHBondContact O-CA 3.27Å; V564-I589 HydrophobicContact CG2-CB 4.26Å; V564-I589 PolarHBondContact N-O 3.03Å; V564-I589 PolarHBondContact O-N 2.85Å
565R96.7Very high82.8Confident21 Ų2155.7 Ų55.78%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-126.8152.3166.8-68.9175.6-173.6-137.815.8110.8I482 G483 A485 D487 V567 S586 P588I482-R565 WeakPolarHBondContact CA-O 3.45Å; G483-R565 PolarHBondContact N-O 2.9Å; G483-R565 PolarHBondContact O-N 3.5Å; A485-R565 PolarHBondContact O-NE 2.88Å; A485-R565 PolarHBondContact O-NH2 2.95Å; D487-R565 IonicContact OD1-CZ 3.98Å; D487-R565 IonicContact OD1-NH1 3.77Å; D487-R565 PolarHBondContact OD1-NH1 2.82Å; D487-R565 IonicContact OD1-NH2 3.56Å; D487-R565 PolarHBondContact OD1-NH2 3.02Å; D487-R565 IonicContact OD2-CZ 2.59Å; D487-R565 IonicContact OD2-NH1 3.32Å; D487-R565 IonicContact OD2-NH2 3.84Å; D487-R565 PolarHBondContact OD2-NH2 2.83Å; R565-V567 HydrophobicContact CB-CG2 4.36Å; R565-S586 WeakPolarHBondContact CD-O 3.33Å; R565-S586 VanDerWaalsContact CG-O 3.31Å; R565-S586 WeakPolarHBondContact CG-O 3.46Å; R565-S586 PolarHBondContact NH1-O 2.81Å; R565-P588 HydrophobicContact CG-CB 4.23Å
566L98.1Very high84.4Confident1 Ų156.3 Ų56.31%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-78.2123.2158.9-55.4-174.9000106.9P438 V455 P463 L480 I482 F568 A585 S586 I589P438-L566 HydrophobicContact CB-CD1 4.4Å; P438-L566 HydrophobicContact CG-CD1 4.36Å; V455-L566 HydrophobicContact CB-CD1 4.45Å; V455-L566 HydrophobicContact CG1-CD1 4.3Å; V455-L566 HydrophobicContact CG2-CD2 4.42Å; P463-L566 HydrophobicContact CG-CD1 4.24Å; L480-L566 HydrophobicContact CD1-CB 3.82Å; L480-L566 HydrophobicContact CD1-CD2 4.32Å; I482-L566 HydrophobicContact CD1-CD2 3.5Å; L566-F568 HydrophobicContact CB-CD2 4.46Å; L566-F568 HydrophobicContact CB-CE2 3.63Å; L566-F568 HydrophobicContact CB-CZ 3.79Å; L566-F568 HydrophobicContact CD1-CE2 4.49Å; L566-F568 HydrophobicContact CD1-CZ 4.03Å; L566-A585 WeakPolarHBondContact O-CA 3.44Å; L566-S586 PolarHBondContact N-OG 2.86Å; L566-S586 PolarHBondContact O-N 3.11Å; L566-I589 HydrophobicContact CD1-CD1 4.42Å; L566-I589 HydrophobicContact CD2-CD1 4.25Å; L566-I589 HydrophobicContact CG-CD1 3.93Å
567V98.1Very high86Confident0 Ų053.8 Ų53.80%029%0.285CS..EExtended strand (participates in β ladder)trans-114120.4178-1730000108.6L480 F481 L490 R565 Q583 A585L480-V567 WeakPolarHBondContact CA-O 3.38Å; F481-V567 HydrophobicContact CD1-CB 4.22Å; F481-V567 HydrophobicContact CD1-CG1 4.42Å; F481-V567 HydrophobicContact CD2-CB 4.23Å; F481-V567 HydrophobicContact CE1-CB 3.88Å; F481-V567 HydrophobicContact CE1-CG1 3.64Å; F481-V567 HydrophobicContact CE2-CB 3.9Å; F481-V567 HydrophobicContact CE2-CG1 4.12Å; F481-V567 HydrophobicContact CE2-CG2 4.16Å; F481-V567 HydrophobicContact CG-CB 4.39Å; F481-V567 HydrophobicContact CZ-CB 3.72Å; F481-V567 HydrophobicContact CZ-CG1 3.47Å; F481-V567 VanDerWaalsContact CZ-CG1 3.47Å; F481-V567 HydrophobicContact CZ-CG2 4.35Å; F481-V567 PolarHBondContact N-O 3.37Å; F481-V567 PolarHBondContact O-N 2.92Å; L490-V567 HydrophobicContact CD1-CG2 3.79Å; L490-V567 HydrophobicContact CD2-CG1 4.21Å; L490-V567 HydrophobicContact CD2-CG2 4.39Å; L490-V567 HydrophobicContact CG-CG2 4.31Å; R565-V567 HydrophobicContact CB-CG2 4.36Å; V567-Q583 HydrophobicContact CG1-CG 3.73Å; V567-A585 HydrophobicContact CG2-CB 4.24Å
568F98.4Very high87.8Confident0 Ų056.8 Ų56.80%029%0.288CS..EExtended strand (participates in β ladder)trans-108.3136-176.2-59.8-83000109.7L432 I434 V465 L478 Q479 L480 I535 L566 Q583 V584L432-F568 HydrophobicContact CD2-CB 4.44Å; I434-F568 HydrophobicContact CD1-CD2 3.92Å; I434-F568 HydrophobicContact CD1-CE2 3.95Å; I434-F568 HydrophobicContact CG1-CD2 4.22Å; I434-F568 HydrophobicContact CG1-CE2 4.34Å; V465-F568 HydrophobicContact CG1-CG 4.48Å; V465-F568 HydrophobicContact CG2-CD1 3.79Å; V465-F568 HydrophobicContact CG2-CD2 3.88Å; V465-F568 HydrophobicContact CG2-CE1 3.64Å; V465-F568 HydrophobicContact CG2-CE2 3.74Å; V465-F568 HydrophobicContact CG2-CG 3.9Å; V465-F568 HydrophobicContact CG2-CZ 3.62Å; L478-F568 HydrophobicContact CD1-CB 4.01Å; L478-F568 HydrophobicContact CD1-CD1 4.4Å; L478-F568 HydrophobicContact CD2-CD1 3.97Å; L478-F568 HydrophobicContact CG-CD1 4.26Å; Q479-F568 CarbonylContact O-C 3.55Å; Q479-F568 VanDerWaalsContact O-CA 3.3Å; Q479-F568 WeakPolarHBondContact O-CA 3.36Å; L480-F568 HydrophobicContact CB-CD1 4.16Å; L480-F568 HydrophobicContact CB-CE1 4.3Å; L480-F568 HydrophobicContact CD1-CD1 3.93Å; L480-F568 HydrophobicContact CD1-CE1 3.69Å; L480-F568 HydrophobicContact CD1-CZ 4.04Å; L480-F568 HydrophobicContact CD2-CE1 3.95Å; L480-F568 HydrophobicContact CG-CD1 4.45Å; L480-F568 HydrophobicContact CG-CE1 4.19Å; I535-F568 HydrophobicContact CD1-CE1 3.85Å; I535-F568 HydrophobicContact CG1-CE1 3.83Å; I535-F568 HydrophobicContact CG1-CZ 4.04Å; I535-F568 HydrophobicContact CG2-CE1 4.38Å; L566-F568 HydrophobicContact CB-CD2 4.46Å; L566-F568 HydrophobicContact CB-CE2 3.63Å; L566-F568 HydrophobicContact CB-CZ 3.79Å; L566-F568 HydrophobicContact CD1-CE2 4.49Å; L566-F568 HydrophobicContact CD1-CZ 4.03Å; F568-Q583 CarbonylContact O-C 3.39Å; F568-Q583 VanDerWaalsContact O-CA 3.24Å; F568-Q583 WeakPolarHBondContact O-CA 3.49Å; F568-V584 HydrophobicContact CB-CG1 3.99Å; F568-V584 HydrophobicContact CD2-CG1 4.34Å; F568-V584 PolarHBondContact N-O 2.59Å; F568-V584 PolarHBondContact O-N 2.71Å
569R97.4Very high89.6Confident0 Ų058 Ų580%029%0.293CS..EExtended strand (participates in β ladder)trans-131.4148174-69.3-177.4173.3-160.4-3.8111.6P417 A418 L419 W421 L478 Q479 F481 L582 Q583P417-R569 PolarHBondContact O-NH1 2.82Å; A418-R569 PolarHBondContact O-NH1 3.29Å; A418-R569 PolarHBondContact O-NH2 3.46Å; L419-R569 PolarHBondContact O-NH2 2.91Å; W421-R569 PolarHBondContact O-NH2 3.37Å; L478-R569 CarbonylContact C-O 3.47Å; L478-R569 WeakPolarHBondContact CA-O 3.44Å; Q479-R569 HydrophobicContact CB-CB 4.27Å; Q479-R569 PolarHBondContact N-O 2.96Å; Q479-R569 PolarHBondContact O-N 3.29Å; F481-R569 HydrophobicContact CE1-CG 4.35Å; R569-L582 VanDerWaalsContact CA-O 3.24Å; R569-L582 WeakPolarHBondContact CA-O 3.49Å; R569-Q583 HydrophobicContact CG-CB 4Å; R569-Q583 HydrophobicContact CG-CG 3.98Å
570V97.9Very high91.3Very high0 Ų052.8 Ų52.80%028%0.276CS..EExtended strand (participates in β ladder)trans-135143.8167.569.30000109.9L432 L467 L476 L525 I572 S581 L582L432-V570 HydrophobicContact CD1-CG1 4.14Å; L432-V570 HydrophobicContact CD2-CG1 4.17Å; L467-V570 HydrophobicContact CD1-CG1 4.25Å; L467-V570 HydrophobicContact CD2-CG1 4.24Å; L467-V570 HydrophobicContact CD2-CG2 4.38Å; L476-V570 HydrophobicContact CB-CG2 3.93Å; L476-V570 HydrophobicContact CD1-CG2 3.84Å; L525-V570 HydrophobicContact CD1-CG2 4.19Å; V570-I572 HydrophobicContact CG1-CG1 4.42Å; V570-S581 WeakPolarHBondContact O-CA 3.32Å; V570-L582 HydrophobicContact CG1-CB 4.07Å; V570-L582 HydrophobicContact CG1-CD1 4.36Å; V570-L582 HydrophobicContact CG1-CG 4.49Å; V570-L582 PolarHBondContact N-O 2.95Å; V570-L582 VanDerWaalsContact N-O 3.11Å; V570-L582 PolarHBondContact O-N 3.4Å
571H96.6Very high92.7Very high22 Ų2244.1 Ų44.110%0.10224%0.241CC..EExtended strand (participates in β ladder)trans-116.4116.6178.3-62.5-69.4000108.9L416 T579 S581L416-H571 HydrophobicContact CD2-CB 4.35Å; H571-T579 HydrophobicContact CB-CG2 3.79Å; H571-S581 WeakPolarHBondContact ND1-CB 3.41Å; H571-S581 PolarHBondContact ND1-OG 3.11Å
572I95.6Very high93.7Very high0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-108.2112.7-175.6-50174.3000107.7Y430 L467 Y470 L476 V570 Q574 T579 V580 L582Y430-I572 HydrophobicContact CD1-CD1 3.79Å; Y430-I572 HydrophobicContact CD2-CD1 3.97Å; Y430-I572 HydrophobicContact CE1-CD1 4.27Å; Y430-I572 HydrophobicContact CE1-CG2 4.36Å; Y430-I572 HydrophobicContact CE2-CD1 4.43Å; Y430-I572 HydrophobicContact CE2-CG2 4.49Å; Y430-I572 HydrophobicContact CG-CD1 3.62Å; L467-I572 HydrophobicContact CD1-CD1 4.24Å; L467-I572 HydrophobicContact CD2-CD1 4Å; L467-I572 HydrophobicContact CD2-CG1 4.42Å; Y470-I572 HydrophobicContact CD2-CG2 3.96Å; Y470-I572 HydrophobicContact CE2-CG2 3.75Å; L476-I572 HydrophobicContact CD1-CG1 3.96Å; V570-I572 HydrophobicContact CG1-CG1 4.42Å; I572-Q574 PolarHBondContact O-N 2.89Å; I572-T579 CarbonylContact O-C 3.53Å; I572-T579 WeakPolarHBondContact O-CA 3.45Å; I572-V580 HydrophobicContact CB-CB 4.34Å; I572-V580 PolarHBondContact N-O 2.92Å; I572-V580 PolarHBondContact O-N 2.88Å; I572-L582 HydrophobicContact CD1-CD1 4.23Å
573N92.9Very high94.1Very high106 Ų10639.4 Ų39.457%0.56721%0.213SC*.EExtended strand (participates in β ladder)trans-86.8108.2179.6-67.6-37.2000109.9T579N573-T579 WeakPolarHBondContact OD1-CG2 3.33Å; N573-T579 PolarHBondContact OD1-OG1 2.97Å
574Q88.6Confident94.4Very high51 Ų5137.5 Ų37.524%0.23821%0.209CC..  trans-76152.5-179.6-63.5-168.7-4200111.8I572 N576 G577 R578 V580I572-Q574 PolarHBondContact O-N 2.89Å; Q574-N576 WeakPolarHBondContact CB-OD1 3.15Å; Q574-N576 PolarHBondContact O-N 2.91Å; Q574-N576 PolarHBondContact OE1-ND2 2.91Å; Q574-G577 PolarHBondContact O-N 3.06Å; Q574-R578 WeakPolarHBondContact CB-O 3.08Å; Q574-R578 PolarHBondContact N-O 2.94Å; Q574-V580 HydrophobicContact CG-CG2 4.04Å
575P86.3Confident94.5Very high131 Ų13138.6 Ų38.685%0.85122%0.218SC*.THydrogen-bonded Turntrans-57.1-14.8174.6-27.835.7000115.7G577P575-G577 VanDerWaalsContact C-N 3.29Å
576N86.3Confident94.5Very high99 Ų9937.7 Ų37.753%0.52922%0.215SC..THydrogen-bonded Turntrans-84.75.2174.565.129.2000113.8Q574 R578Q574-N576 WeakPolarHBondContact CB-OD1 3.15Å; Q574-N576 PolarHBondContact O-N 2.91Å; Q574-N576 PolarHBondContact OE1-ND2 2.91Å; N576-R578 VanDerWaalsContact C-N 3.35Å; N576-R578 PolarHBondContact O-N 3.03Å; N576-R578 WeakPolarHBondContact OD1-CB 3.39Å; N576-R578 VanDerWaalsContact OD1-CG 3.29Å; N576-R578 WeakPolarHBondContact OD1-CG 3.46Å; N576-R578 PolarHBondContact OD1-N 2.83Å
577G86.1Confident94.4Very high63 Ų6342 Ų4265%0.64924%0.238SC*.SBendtrans813.2-179.100000115.5Q574 P575Q574-G577 PolarHBondContact O-N 3.06Å; P575-G577 VanDerWaalsContact C-N 3.29Å
578R89.9Confident94.1Very high183 Ų18343.2 Ų43.269%0.69125%0.246SC*.  trans-94.5139.6177.2-58.4176.4174.3-169.5-2.7111.4Q574 N576Q574-R578 WeakPolarHBondContact CB-O 3.08Å; Q574-R578 PolarHBondContact N-O 2.94Å; N576-R578 VanDerWaalsContact C-N 3.35Å; N576-R578 PolarHBondContact O-N 3.03Å; N576-R578 WeakPolarHBondContact OD1-CB 3.39Å; N576-R578 VanDerWaalsContact OD1-CG 3.29Å; N576-R578 WeakPolarHBondContact OD1-CG 3.46Å; N576-R578 PolarHBondContact OD1-N 2.83Å
579T93.5Very high93.9Very high37 Ų3743.2 Ų43.223%0.22725%0.246CC..EExtended strand (participates in β ladder)trans-94.9112.2172.3-51.80000110.6H571 I572 N573H571-T579 HydrophobicContact CB-CG2 3.79Å; I572-T579 CarbonylContact O-C 3.53Å; I572-T579 WeakPolarHBondContact O-CA 3.45Å; N573-T579 WeakPolarHBondContact OD1-CG2 3.33Å; N573-T579 PolarHBondContact OD1-OG1 2.97Å
580V95.1Very high93.6Very high22 Ų2244.5 Ų44.513%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-78.2127.2166.9173.80000108.1Y430 I572 Q574 L582Y430-V580 HydrophobicContact CD2-CG1 4.32Å; I572-V580 HydrophobicContact CB-CB 4.34Å; I572-V580 PolarHBondContact N-O 2.92Å; I572-V580 PolarHBondContact O-N 2.88Å; Q574-V580 HydrophobicContact CG-CG2 4.04Å; V580-L582 HydrophobicContact CG1-CD2 4.13Å; V580-L582 HydrophobicContact CG1-CG 4.39Å
581S97.3Very high93.4Very high17 Ų1744.7 Ų44.712%0.11925%0.253CS..EExtended strand (participates in β ladder)trans-119.8119.7-177.3-56.40000109.9V570 H571V570-S581 WeakPolarHBondContact O-CA 3.32Å; H571-S581 WeakPolarHBondContact ND1-CB 3.41Å; H571-S581 PolarHBondContact ND1-OG 3.11Å
582L97.8Very high92.9Very high0 Ų044.9 Ų44.90%026%0.257CS..EExtended strand (participates in β ladder)trans-111152.4-179.8-55.7178.8000111P424 L432 L467 R569 V570 I572 V580P424-L582 CarbonylContact O-C 3.54Å; P424-L582 VanDerWaalsContact O-CA 3.25Å; P424-L582 WeakPolarHBondContact O-CA 3.45Å; L432-L582 HydrophobicContact CB-CB 4.06Å; L432-L582 HydrophobicContact CB-CD1 4.13Å; L432-L582 HydrophobicContact CD2-CB 4.38Å; L467-L582 HydrophobicContact CD1-CD1 3.82Å; R569-L582 VanDerWaalsContact CA-O 3.24Å; R569-L582 WeakPolarHBondContact CA-O 3.49Å; V570-L582 HydrophobicContact CG1-CB 4.07Å; V570-L582 HydrophobicContact CG1-CD1 4.36Å; V570-L582 HydrophobicContact CG1-CG 4.49Å; V570-L582 PolarHBondContact N-O 2.95Å; V570-L582 VanDerWaalsContact N-O 3.11Å; V570-L582 PolarHBondContact O-N 3.4Å; I572-L582 HydrophobicContact CD1-CD1 4.23Å; V580-L582 HydrophobicContact CG1-CD2 4.13Å; V580-L582 HydrophobicContact CG1-CG 4.39Å
583Q97.6Very high91.8Very high10 Ų1049.9 Ų49.95%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-143.2137.9176.5179.9176.6-109.300111.8W421 L423 P424 S425 V567 F568 R569W421-Q583 PolarHBondContact O-NE2 3.21Å; L423-Q583 HydrophobicContact CB-CB 3.68Å; L423-Q583 HydrophobicContact CD1-CB 4.44Å; P424-Q583 CarbonylContact C-O 3.53Å; P424-Q583 PolarHBondContact O-N 3.02Å; S425-Q583 WeakPolarHBondContact CA-O 3.46Å; S425-Q583 WeakPolarHBondContact CB-O 3.47Å; S425-Q583 PolarHBondContact N-O 3.28Å; V567-Q583 HydrophobicContact CG1-CG 3.73Å; F568-Q583 CarbonylContact O-C 3.39Å; F568-Q583 VanDerWaalsContact O-CA 3.24Å; F568-Q583 WeakPolarHBondContact O-CA 3.49Å; R569-Q583 HydrophobicContact CG-CB 4Å; R569-Q583 HydrophobicContact CG-CG 3.98Å
584V97.4Very high90.2Very high25 Ų2555.2 Ų55.215%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-135.6140.6169.868.90000110.1L432 I434 F568L432-V584 HydrophobicContact CD2-CB 4.47Å; L432-V584 HydrophobicContact CD2-CG1 3.83Å; L432-V584 HydrophobicContact CG-CG1 3.8Å; I434-V584 HydrophobicContact CD1-CG1 4.06Å; I434-V584 HydrophobicContact CD1-CG2 3.93Å; I434-V584 HydrophobicContact CG1-CB 4.4Å; I434-V584 HydrophobicContact CG1-CG1 3.65Å; I434-V584 HydrophobicContact CG1-CG2 3.86Å; F568-V584 HydrophobicContact CB-CG1 3.99Å; F568-V584 HydrophobicContact CD2-CG1 4.34Å; F568-V584 PolarHBondContact N-O 2.59Å; F568-V584 PolarHBondContact O-N 2.71Å
585A97.3Very high88.6Confident23 Ų2354.8 Ų54.819%0.1930%0.295CS..EExtended strand (participates in β ladder)trans-115.9142.2-179.600000110.8L490 L566 V567L490-A585 HydrophobicContact CD1-CB 4.13Å; L490-A585 HydrophobicContact CD2-CB 3.87Å; L566-A585 WeakPolarHBondContact O-CA 3.44Å; V567-A585 HydrophobicContact CG2-CB 4.24Å
586S97.2Very high87.1Confident1 Ų149.6 Ų49.61%0.00726%0.264CS..PPolyproline II helixtrans-69.7169.6178.5750000112.9R565 L566R565-S586 WeakPolarHBondContact CD-O 3.33Å; R565-S586 VanDerWaalsContact CG-O 3.31Å; R565-S586 WeakPolarHBondContact CG-O 3.46Å; R565-S586 PolarHBondContact NH1-O 2.81Å; L566-S586 PolarHBondContact N-OG 2.86Å; L566-S586 PolarHBondContact O-N 3.11Å
587N94.4Very high85.5Confident91 Ų9152.2 Ų52.249%0.48727%0.272SS..SBendtrans-54.8148.7157.2-71-19.3000110.4I589N587-I589 PolarHBondContact O-N 2.89Å
588P93Very high84.6Confident27 Ų2755.1 Ų55.118%0.17527%0.269CS..PPolyproline II helixtrans-75.4125.4-175.8-2.314.5000113.1A485 R563 V564 R565A485-P588 HydrophobicContact CB-CB 3.9Å; R563-P588 PolarHBondContact NH2-O 2.94Å; V564-P588 CarbonylContact O-C 3.56Å; V564-P588 VanDerWaalsContact O-CA 3.28Å; V564-P588 WeakPolarHBondContact O-CA 3.27Å; R565-P588 HydrophobicContact CG-CB 4.23Å
589I93.9Very high84.3Confident0 Ų048.8 Ų48.80%025%0.249CC..EExtended strand (participates in β ladder)trans-91.6128.5179.7-50.9176.5000109.3P438 H442 V455 I540 R563 V564 L566 N587P438-I589 HydrophobicContact CB-CD1 3.74Å; P438-I589 HydrophobicContact CB-CG1 4.22Å; P438-I589 HydrophobicContact CG-CD1 3.76Å; P438-I589 HydrophobicContact CG-CG1 3.98Å; H442-I589 HydrophobicContact CB-CG2 3.9Å; V455-I589 HydrophobicContact CG1-CD1 4.01Å; I540-I589 HydrophobicContact CD1-CD1 4.16Å; I540-I589 HydrophobicContact CD1-CG2 4.34Å; R563-I589 CarbonylContact C-O 3.59Å; R563-I589 VanDerWaalsContact CA-O 3.27Å; R563-I589 WeakPolarHBondContact CA-O 3.48Å; V564-I589 HydrophobicContact CG2-CB 4.26Å; V564-I589 PolarHBondContact N-O 3.03Å; V564-I589 PolarHBondContact O-N 2.85Å; L566-I589 HydrophobicContact CD1-CD1 4.42Å; L566-I589 HydrophobicContact CD2-CD1 4.25Å; L566-I589 HydrophobicContact CG-CD1 3.93Å; N587-I589 PolarHBondContact O-N 2.89Å
590E91.4Very high84Confident26 Ų2647.1 Ų47.112%0.12124%0.238CC..EExtended strand (participates in β ladder)trans-84.1130.6169.5172.950.3-127.500110.7S440 H441 H442 T562 R563 S592 A596S440-E590 PolarHBondContact O-N 2.94Å; H441-E590 WeakPolarHBondContact CA-O 3.35Å; H441-E590 PolarHBondContact ND1-O 2.8Å; H442-E590 PolarHBondContact N-O 2.92Å; H442-E590 VanDerWaalsContact N-O 3.08Å; T562-E590 VanDerWaalsContact CB-OE1 3.24Å; T562-E590 WeakPolarHBondContact CB-OE1 3.08Å; T562-E590 VanDerWaalsContact OG1-CD 3.27Å; T562-E590 PolarHBondContact OG1-OE1 2.94Å; T562-E590 PolarHBondContact OG1-OE2 2.91Å; R563-E590 HydrophobicContact CG-CB 4.37Å; R563-E590 WeakPolarHBondContact CG-OE2 3.16Å; E590-S592 WeakPolarHBondContact OE1-CA 3.3Å; E590-S592 WeakPolarHBondContact OE1-CB 3.43Å; E590-S592 PolarHBondContact OE1-N 2.84Å; E590-S592 PolarHBondContact OE1-OG 3.14Å; E590-A596 HydrophobicContact CB-CB 4.31Å; E590-A596 HydrophobicContact CG-CB 3.75Å
591C92.9Very high83.7Confident4 Ų447.6 Ų47.63%0.02724%0.24CC..  trans-114-3.2-170.5-73.20000116.1H442 A444 Y496 T562H442-C591 WeakPolarHBondContact O-CA 3.12Å; H442-C591 PolarHBondContact O-SG 3.49Å; H442-C591 VanDerWaalsContact O-SG 3.37Å; A444-C591 HydrophobicContact CB-CB 3.94Å; A444-C591 PolarHBondContact N-O 2.92Å; Y496-C591 HydrophobicContact CE1-CB 3.75Å; T562-C591 WeakPolarHBondContact O-CB 3.15Å; T562-C591 PolarHBondContact O-N 2.99Å
592S85.9Confident83.4Confident26 Ų2647.1 Ų47.118%0.18224%0.237CC..  trans-73142.9-179.465.40000113.6H441 E590 R594 S595H441-S592 PolarHBondContact CE1-O 2.58Å; H441-S592 VanDerWaalsContact CE1-O 3.32Å; E590-S592 WeakPolarHBondContact OE1-CA 3.3Å; E590-S592 WeakPolarHBondContact OE1-CB 3.43Å; E590-S592 PolarHBondContact OE1-N 2.84Å; E590-S592 PolarHBondContact OE1-OG 3.14Å; S592-R594 VanDerWaalsContact C-N 3.29Å; S592-R594 PolarHBondContact O-N 2.81Å; S592-S595 PolarHBondContact OG-OG 3.37Å
593Q73.9Confident83Confident106 Ų10651.9 Ų51.950%0.49526%0.259SS..THydrogen-bonded Turntrans-64.2-26.3179.8175.5-172.419.100114.2
594R59.1Low82.7Confident217 Ų21758.8 Ų58.882%0.81929%0.289SS*.THydrogen-bonded Turntrans-120.912.8-155.3-58.8-175.9-174.7-108.43.8115.8S592S592-R594 VanDerWaalsContact C-N 3.29Å; S592-R594 PolarHBondContact O-N 2.81Å
595S54.9Low82.6Confident42 Ų4258.9 Ų58.929%0.29429%0.287SS..SBendtrans-131.7-68.7-173.270.30000114.8S592 Q597 E598 L599S592-S595 PolarHBondContact OG-OG 3.37Å; S595-Q597 VanDerWaalsContact C-N 3.27Å; S595-Q597 PolarHBondContact O-N 3.08Å; S595-E598 PolarHBondContact O-N 2.75Å; S595-E598 VanDerWaalsContact O-N 3.11Å; S595-L599 PolarHBondContact O-N 3.3Å
596A53.7Low82.6Confident23 Ų2361 Ų6119%0.1930%0.301CS..G310 helixtrans-51.4-40.2-161.500000115.3H441 E590 E598 L599H441-A596 HydrophobicContact CB-CB 3.87Å; E590-A596 HydrophobicContact CB-CB 4.31Å; E590-A596 HydrophobicContact CG-CB 3.75Å; A596-E598 PolarHBondContact O-N 2.75Å; A596-L599 PolarHBondContact O-N 2.66Å
597Q53.3Low82.5Confident153 Ų15361.4 Ų61.472%0.71530%0.303SS*.G310 helixtrans-72.7-10.7-171.8-158.7164.9-0.300114.1S595 N624S595-Q597 VanDerWaalsContact C-N 3.27Å; S595-Q597 PolarHBondContact O-N 3.08Å; Q597-N624 PolarHBondContact O-ND2 3Å
598E66.4Low82.5Confident124 Ų12463.8 Ų63.858%0.57931%0.311SS*.G310 helixtrans-118.6-1173-59.7-171152.400114S595 A596 K688S595-E598 PolarHBondContact O-N 2.75Å; S595-E598 VanDerWaalsContact O-N 3.11Å; A596-E598 PolarHBondContact O-N 2.75Å; E598-K688 HydrophobicContact CB-CD 4.48Å; E598-K688 WeakPolarHBondContact OE2-CE 3.24Å; E598-K688 IonicContact OE2-NZ 2.7Å; E598-K688 PolarHBondContact OE2-NZ 3.33Å
599L84.3Confident82.7Confident50 Ų5065.5 Ų65.526%0.26232%0.324SS..SBendtrans-77.5141.9172.6-66.9-179.5000109.5S595 A596 L601 N624 K688S595-L599 PolarHBondContact O-N 3.3Å; A596-L599 PolarHBondContact O-N 2.66Å; L599-L601 PolarHBondContact O-N 3.16Å; L599-N624 VanDerWaalsContact O-CB 3.29Å; L599-N624 WeakPolarHBondContact O-CB 3.24Å; L599-N624 PolarHBondContact O-ND2 3.31Å; L599-K688 HydrophobicContact CD2-CB 3.73Å; L599-K688 HydrophobicContact CD2-CG 4.09Å
600P87.6Confident82.8Confident2 Ų268.9 Ų68.91%0.01334%0.337CS..  trans-65134.816928.8-31.9000109.1F625 V682 S690P600-F625 HydrophobicContact CB-CD1 4Å; P600-F625 HydrophobicContact CB-CE1 4.21Å; P600-V682 HydrophobicContact CB-CB 3.97Å; P600-V682 HydrophobicContact CB-CG1 3.72Å; P600-V682 HydrophobicContact CG-CB 4.1Å; P600-V682 HydrophobicContact CG-CG1 4.04Å; P600-V682 WeakPolarHBondContact CG-O 3.37Å; P600-S690 WeakPolarHBondContact O-CA 3.32Å; P600-S690 WeakPolarHBondContact O-CB 3.15Å
601L88.2Confident83Confident33 Ų3369.3 Ų69.317%0.17334%0.342CS..EExtended strand (participates in β ladder)trans-116.6130.4176179.665.8000108.4L599 E603 G622 L623 F625L599-L601 PolarHBondContact O-N 3.16Å; L601-E603 HydrophobicContact CD2-CG 3.88Å; L601-E603 HydrophobicContact CG-CG 4.02Å; L601-G622 CarbonylContact O-C 3.46Å; L601-G622 VanDerWaalsContact O-CA 3.24Å; L601-G622 WeakPolarHBondContact O-CA 3.47Å; L601-L623 HydrophobicContact CB-CB 4.32Å; L601-L623 HydrophobicContact CD2-CD1 4.24Å; L601-L623 PolarHBondContact N-O 2.94Å; L601-L623 PolarHBondContact O-N 3.43Å; L601-F625 VanDerWaalsContact O-CE1 3.3Å; L601-F625 WeakPolarHBondContact O-CE1 3.28Å; L601-F625 VanDerWaalsContact O-CZ 3.28Å; L601-F625 WeakPolarHBondContact O-CZ 3.3Å
602V92.2Very high83.2Confident7 Ų769.1 Ų69.14%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-98.5122.7167.9-173.50000107.6L620 F625 V682 Q693V602-L620 HydrophobicContact CG1-CD2 4.31Å; V602-F625 HydrophobicContact CG2-CE1 4.36Å; V602-F625 HydrophobicContact CG2-CZ 4.27Å; V602-V682 HydrophobicContact CG2-CB 4.46Å; V602-V682 HydrophobicContact CG2-CG2 3.48Å; V602-V682 VanDerWaalsContact CG2-CG2 3.48Å; V602-Q693 HydrophobicContact CB-CG 3.71Å; V602-Q693 HydrophobicContact CG1-CG 3.87Å; V602-Q693 HydrophobicContact CG2-CG 4.1Å
603E89.1Confident83.7Confident99 Ų9970.8 Ų70.846%0.46335%0.35SS..EExtended strand (participates in β ladder)trans-104.6-29.4178.1-63.5-177.2143.400111.4L601 G621L601-E603 HydrophobicContact CD2-CG 3.88Å; L601-E603 HydrophobicContact CG-CG 4.02Å; E603-G621 PolarHBondContact N-O 3Å
604K90.8Very high84.7Confident155 Ų15566 Ų6667%0.67433%0.33SS*.EExtended strand (participates in β ladder)trans-146.8144.1-179.8-172169-176.8173.50111.7L620 G621K604-L620 WeakPolarHBondContact O-CA 3.34Å; K604-G621 PolarHBondContact N-O 3.35Å; K604-G621 PolarHBondContact O-N 3.34Å
605Q95.7Very high86.4Confident27 Ų2757.9 Ų57.913%0.12631%0.313CS..EExtended strand (participates in β ladder)trans-120.8153.1165.163.1-16277.200109.5V607 E608 M618 L620 F680 R694Q605-V607 PolarHBondContact NE2-O 2.96Å; Q605-E608 HydrophobicContact CG-CG 4.25Å; Q605-M618 HydrophobicContact CB-SD 4.21Å; Q605-L620 HydrophobicContact CB-CD2 3.65Å; Q605-F680 HydrophobicContact CB-CZ 4.32Å; Q605-R694 PolarHBondContact NE2-O 3.28Å
606S96.1Very high88.3Confident68 Ų6859.9 Ų59.948%0.47632%0.317SS..SBendtrans-95.1-7.5178.951.40000113.8L619S606-L619 WeakPolarHBondContact CB-O 3.37Å; S606-L619 PolarHBondContact N-O 3.43Å; S606-L619 WeakPolarHBondContact OG-CA 3.18Å; S606-L619 WeakPolarHBondContact OG-CB 3.42Å; S606-L619 PolarHBondContact OG-N 3.2Å; S606-L619 PolarHBondContact OG-O 2.86Å
607V95.6Very high90.4Very high9 Ų963 Ų636%0.05533%0.328CS..  trans-142.3129.8-179.5-170.80000108.4Q605 S609 K616 M618 I664 F695Q605-V607 PolarHBondContact NE2-O 2.96Å; V607-S609 WeakPolarHBondContact CG1-O 3.37Å; V607-K616 HydrophobicContact CG2-CD 4.26Å; V607-M618 HydrophobicContact CB-CB 4.4Å; V607-M618 HydrophobicContact CB-CG 4.1Å; V607-M618 HydrophobicContact CB-SD 4.08Å; V607-M618 HydrophobicContact CG2-CB 4.13Å; V607-M618 HydrophobicContact CG2-CG 4.15Å; V607-I664 HydrophobicContact CB-CD1 4.23Å; V607-I664 HydrophobicContact CG1-CD1 3.98Å; V607-I664 HydrophobicContact CG2-CD1 4.45Å; V607-F695 HydrophobicContact CB-CE2 4.42Å; V607-F695 HydrophobicContact CG1-CE2 3.99Å
608E95.1Very high92.4Very high141 Ų14155.7 Ų55.766%0.65929%0.294SS*.SBendtrans-109.4-21.8177.8-62.9-177.7178.700112.4Q605 F695 T696Q605-E608 HydrophobicContact CG-CG 4.25Å; E608-F695 WeakPolarHBondContact O-CA 3.48Å; E608-T696 PolarHBondContact O-N 3.06Å
609S96.1Very high93.8Very high63 Ų6353.9 Ų53.944%0.44129%0.288SS..EExtended strand (participates in β ladder)trans-147.1152.3173.961.90000112.5V607 T696V607-S609 WeakPolarHBondContact CG1-O 3.37Å; S609-T696 WeakPolarHBondContact CA-O 3.45Å; S609-T696 WeakPolarHBondContact CB-O 3.47Å
610Y96.6Very high94.4Very high71 Ų7151.5 Ų51.528%0.27828%0.275SS..EExtended strand (participates in β ladder)trans-158.6156.4176.1-160.6-110.6000111.3G614 K616 I664 T696 Y697 V698Y610-G614 WeakPolarHBondContact CE1-O 3.13Å; Y610-K616 HydrophobicContact CD1-CB 3.89Å; Y610-K616 HydrophobicContact CD2-CB 4.06Å; Y610-K616 HydrophobicContact CD2-CD 3.48Å; Y610-K616 VanDerWaalsContact CD2-CD 3.48Å; Y610-K616 HydrophobicContact CD2-CG 4.37Å; Y610-K616 HydrophobicContact CE1-CB 3.55Å; Y610-K616 HydrophobicContact CE2-CB 3.75Å; Y610-K616 HydrophobicContact CE2-CD 3.34Å; Y610-K616 HydrophobicContact CE2-CG 4.14Å; Y610-K616 HydrophobicContact CG-CB 4.14Å; Y610-K616 HydrophobicContact CG-CD 4.25Å; Y610-K616 VanDerWaalsContact CZ-CB 3.48Å; Y610-I664 HydrophobicContact CG-CD1 4.42Å; Y610-T696 PolarHBondContact N-O 3.41Å; Y610-T696 VanDerWaalsContact N-O 3.15Å; Y610-Y697 VanDerWaalsContact O-CA 3.31Å; Y610-Y697 WeakPolarHBondContact O-CA 3.29Å; Y610-V698 PolarHBondContact O-N 2.94Å
611P96.1Very high94.7Very high35 Ų3552.3 Ų52.323%0.22728%0.284CS..EExtended strand (participates in β ladder)trans-51.4145.2172.8-33.539.7000114.4T613 G614 V698 A700P611-T613 PolarHBondContact O-N 3.22Å; P611-G614 PolarHBondContact O-N 3.16Å; P611-V698 CarbonylContact C-O 3.51Å; P611-V698 WeakPolarHBondContact CA-O 3.49Å; P611-V698 HydrophobicContact CG-CG2 4.23Å; P611-A700 HydrophobicContact CB-CB 4.3Å
612A96.6Very high94.8Very high0 Ų050.9 Ų50.90%028%0.278CS..THydrogen-bonded Turntrans-57.5-12.9-178.600000115.3G614 Y667 I672 V698A612-G614 VanDerWaalsContact C-N 3.29Å; A612-G614 PolarHBondContact O-N 3.34Å; A612-Y667 HydrophobicContact CB-CD1 4.35Å; A612-Y667 PolarHBondContact O-N 2.89Å; A612-I672 HydrophobicContact CB-CD1 3.82Å; A612-I672 HydrophobicContact CB-CG1 3.88Å; A612-V698 PolarHBondContact N-O 3.35Å
613T95.8Very high94.6Very high61 Ų6153.4 Ų53.437%0.37429%0.291SS..THydrogen-bonded Turntrans-67.6-23.4173.354.90000113.8P611 P666 A700P611-T613 PolarHBondContact O-N 3.22Å; T613-P666 WeakPolarHBondContact O-CB 3.45Å; T613-P666 WeakPolarHBondContact O-CG 3.29Å; T613-A700 HydrophobicContact CG2-CB 4.32Å
614G95.5Very high94.5Very high7 Ų751.3 Ų51.37%0.07228%0.283CS..  trans65.8-157.6-173.400000113.3Y610 P611 A612 I664Y610-G614 WeakPolarHBondContact CE1-O 3.13Å; P611-G614 PolarHBondContact O-N 3.16Å; A612-G614 VanDerWaalsContact C-N 3.29Å; A612-G614 PolarHBondContact O-N 3.34Å; G614-I664 CarbonylContact C-O 3.5Å; G614-I664 WeakPolarHBondContact CA-O 3.19Å
615G95Very high94.5Very high45 Ų4544.1 Ų44.146%0.46425%0.251SS..  trans88.4-7.217500000116.1I664G615-I664 PolarHBondContact N-O 3.32Å
616K95.4Very high94.1Very high85 Ų8546.7 Ų46.737%0.3727%0.266SS..  trans-82.6136.2174.3172.7173.6179.7-173.70111.2V607 Y610 I664V607-K616 HydrophobicContact CG2-CD 4.26Å; Y610-K616 HydrophobicContact CD1-CB 3.89Å; Y610-K616 HydrophobicContact CD2-CB 4.06Å; Y610-K616 HydrophobicContact CD2-CD 3.48Å; Y610-K616 VanDerWaalsContact CD2-CD 3.48Å; Y610-K616 HydrophobicContact CD2-CG 4.37Å; Y610-K616 HydrophobicContact CE1-CB 3.55Å; Y610-K616 HydrophobicContact CE2-CB 3.75Å; Y610-K616 HydrophobicContact CE2-CD 3.34Å; Y610-K616 HydrophobicContact CE2-CG 4.14Å; Y610-K616 HydrophobicContact CG-CB 4.14Å; Y610-K616 HydrophobicContact CG-CD 4.25Å; Y610-K616 VanDerWaalsContact CZ-CB 3.48Å; K616-I664 HydrophobicContact CB-CD1 4.18Å; K616-I664 HydrophobicContact CG-CD1 4.36Å; K616-I664 WeakPolarHBondContact O-CB 3.45Å; K616-I664 WeakPolarHBondContact O-CG1 3.47Å; K616-I664 PolarHBondContact O-N 3.19Å
617M96.5Very high93.7Very high87 Ų8747.7 Ų47.743%0.42927%0.27SS..EExtended strand (participates in β ladder)trans-71.3130.8169.6-61.7-58.7-112.400111.3D651 V661 E663M617-D651 HydrophobicContact CE-CB 3.92Å; M617-V661 HydrophobicContact CB-CG1 3.97Å; M617-V661 HydrophobicContact CE-CG1 3.94Å; M617-V661 HydrophobicContact CG-CG1 4.43Å; M617-V661 HydrophobicContact SD-CG1 4.34Å; M617-E663 HydrophobicContact SD-CB 3.79Å; M617-E663 HydrophobicContact SD-CG 4.22Å
618M96.3Very high93.4Very high0 Ų053.7 Ų53.70%030%0.298CS..EExtended strand (participates in β ladder)trans-118.3121174.1175.6174.160.800109.1Q605 V607 L620 F633 V662 I664 F680 F695Q605-M618 HydrophobicContact CB-SD 4.21Å; V607-M618 HydrophobicContact CB-CB 4.4Å; V607-M618 HydrophobicContact CB-CG 4.1Å; V607-M618 HydrophobicContact CB-SD 4.08Å; V607-M618 HydrophobicContact CG2-CB 4.13Å; V607-M618 HydrophobicContact CG2-CG 4.15Å; M618-L620 HydrophobicContact CE-CD2 3.83Å; M618-L620 HydrophobicContact CE-CG 4.33Å; M618-L620 HydrophobicContact CG-CD2 4.13Å; M618-L620 HydrophobicContact SD-CD2 3.97Å; M618-F633 HydrophobicContact CE-CE2 4.48Å; M618-F633 HydrophobicContact CE-CZ 3.87Å; M618-V662 HydrophobicContact CB-CG1 4.21Å; M618-V662 HydrophobicContact CE-CG1 3.72Å; M618-V662 PolarHBondContact N-O 3.12Å; M618-V662 WeakPolarHBondContact O-CG1 3.39Å; M618-V662 PolarHBondContact O-N 3.38Å; M618-I664 HydrophobicContact CB-CD1 4.03Å; M618-I664 HydrophobicContact CB-CG1 3.98Å; M618-I664 HydrophobicContact CE-CG1 4.39Å; M618-F680 HydrophobicContact CE-CE1 4.32Å; M618-F680 HydrophobicContact CE-CE2 4.41Å; M618-F680 HydrophobicContact CE-CZ 4.13Å; M618-F695 HydrophobicContact SD-CE2 4.44Å
619L96.2Very high93.3Very high86 Ų8647.2 Ų47.245%0.4527%0.268SS..EExtended strand (participates in β ladder)trans-75.5129.5164.117867.4000109.7S606 T659 V661S606-L619 WeakPolarHBondContact CB-O 3.37Å; S606-L619 PolarHBondContact N-O 3.43Å; S606-L619 WeakPolarHBondContact OG-CA 3.18Å; S606-L619 WeakPolarHBondContact OG-CB 3.42Å; S606-L619 PolarHBondContact OG-N 3.2Å; S606-L619 PolarHBondContact OG-O 2.86Å; L619-T659 HydrophobicContact CD1-CG2 4.32Å; L619-V661 HydrophobicContact CD1-CG2 3.96Å
620L96.3Very high93.3Very high0 Ų048.3 Ų48.30%027%0.265CS..EExtended strand (participates in β ladder)trans-109.5131.8167-61178.8000109V602 K604 Q605 M618 V631 T659 L660 V662 F680 V682V602-L620 HydrophobicContact CG1-CD2 4.31Å; K604-L620 WeakPolarHBondContact O-CA 3.34Å; Q605-L620 HydrophobicContact CB-CD2 3.65Å; M618-L620 HydrophobicContact CE-CD2 3.83Å; M618-L620 HydrophobicContact CE-CG 4.33Å; M618-L620 HydrophobicContact CG-CD2 4.13Å; M618-L620 HydrophobicContact SD-CD2 3.97Å; L620-V631 HydrophobicContact CD1-CG1 4.3Å; L620-V631 HydrophobicContact CD1-CG2 4.04Å; L620-T659 VanDerWaalsContact O-CA 3.3Å; L620-T659 WeakPolarHBondContact O-CA 3.5Å; L620-L660 HydrophobicContact CB-CB 4.4Å; L620-L660 PolarHBondContact N-O 3.48Å; L620-L660 PolarHBondContact O-N 3.31Å; L620-V662 HydrophobicContact CD1-CG1 4.06Å; L620-V662 HydrophobicContact CG-CG1 4.24Å; L620-F680 HydrophobicContact CD1-CE2 3.84Å; L620-F680 HydrophobicContact CD2-CE2 3.67Å; L620-F680 HydrophobicContact CD2-CZ 3.67Å; L620-F680 HydrophobicContact CG-CE2 4.43Å; L620-V682 HydrophobicContact CD1-CG2 4.25Å
621G93.8Very high93.3Very high19 Ų1944.9 Ų44.920%0.19625%0.252CS..EExtended strand (participates in β ladder)trans-111.5145171.700000111E603 K604 N658E603-G621 PolarHBondContact N-O 3Å; K604-G621 PolarHBondContact N-O 3.35Å; K604-G621 PolarHBondContact O-N 3.34Å; G621-N658 WeakPolarHBondContact CA-O 3.1Å
622G91.2Very high93.3Very high4 Ų443.7 Ų43.74%0.04124%0.244CC..EExtended strand (participates in β ladder)trans169.2-144-17900000113.3L601 N658L601-G622 CarbonylContact O-C 3.46Å; L601-G622 VanDerWaalsContact O-CA 3.24Å; L601-G622 WeakPolarHBondContact O-CA 3.47Å; G622-N658 PolarHBondContact N-O 3.11Å; G622-N658 WeakPolarHBondContact O-CA 3.19Å; G622-N658 WeakPolarHBondContact O-CB 3.31Å
623L86.9Confident93.3Very high59 Ų5943.7 Ų43.731%0.30924%0.244SC..EExtended strand (participates in β ladder)trans-137.7157.9-174.8-58.3174.6000111.6L601 F625L601-L623 HydrophobicContact CB-CB 4.32Å; L601-L623 HydrophobicContact CD2-CD1 4.24Å; L601-L623 PolarHBondContact N-O 2.94Å; L601-L623 PolarHBondContact O-N 3.43Å; L623-F625 VanDerWaalsContact C-N 3.29Å; L623-F625 PolarHBondContact O-N 3.4Å
624N87.2Confident93.4Very high55 Ų5540.8 Ų40.829%0.29423%0.226SC..  trans58.334.2175.1-61.7-25.1000114.2Q597 L599 T657 N684Q597-N624 PolarHBondContact O-ND2 3Å; L599-N624 VanDerWaalsContact O-CB 3.29Å; L599-N624 WeakPolarHBondContact O-CB 3.24Å; L599-N624 PolarHBondContact O-ND2 3.31Å; N624-T657 PolarHBondContact N-O 3.49Å; N624-N684 PolarHBondContact O-ND2 3.03Å
625F90.3Very high93.3Very high4 Ų441.5 Ų41.52%0.01823%0.227CC..  trans-80134.9168.5-55.1-32000109.9P600 L601 V602 L623 T657 L660 V682P600-F625 HydrophobicContact CB-CD1 4Å; P600-F625 HydrophobicContact CB-CE1 4.21Å; L601-F625 VanDerWaalsContact O-CE1 3.3Å; L601-F625 WeakPolarHBondContact O-CE1 3.28Å; L601-F625 VanDerWaalsContact O-CZ 3.28Å; L601-F625 WeakPolarHBondContact O-CZ 3.3Å; V602-F625 HydrophobicContact CG2-CE1 4.36Å; V602-F625 HydrophobicContact CG2-CZ 4.27Å; L623-F625 VanDerWaalsContact C-N 3.29Å; L623-F625 PolarHBondContact O-N 3.4Å; F625-T657 PolarHBondContact N-O 2.89Å; F625-T657 WeakPolarHBondContact O-CA 3.28Å; F625-L660 HydrophobicContact CB-CD1 4.1Å; F625-L660 HydrophobicContact CB-CD2 4.08Å; F625-L660 HydrophobicContact CB-CG 3.92Å; F625-L660 HydrophobicContact CD1-CD1 3.83Å; F625-L660 HydrophobicContact CD1-CG 4.36Å; F625-L660 HydrophobicContact CD2-CB 4.47Å; F625-L660 HydrophobicContact CD2-CD1 3.98Å; F625-L660 HydrophobicContact CD2-CG 3.63Å; F625-L660 HydrophobicContact CE1-CD1 4.23Å; F625-L660 HydrophobicContact CE2-CD1 4.35Å; F625-L660 HydrophobicContact CE2-CG 4.2Å; F625-L660 HydrophobicContact CG-CD1 3.71Å; F625-L660 HydrophobicContact CG-CD2 4.44Å; F625-L660 HydrophobicContact CG-CG 3.73Å; F625-L660 HydrophobicContact CZ-CD1 4.47Å; F625-V682 HydrophobicContact CD1-CG1 4.03Å; F625-V682 HydrophobicContact CE1-CB 4.38Å; F625-V682 HydrophobicContact CE1-CG1 4.17Å; F625-V682 HydrophobicContact CE1-CG2 4.03Å
626L88.3Confident93.1Very high82 Ų8243.1 Ų43.143%0.42922%0.221SC..  trans-113160.5179.2-57.7-179.9000109.2E628 S629 N684L626-E628 PolarHBondContact O-N 3.2Å; L626-E628 VanDerWaalsContact O-N 3.13Å; L626-S629 PolarHBondContact N-OG 3.02Å; L626-S629 VanDerWaalsContact O-CB 3.23Å; L626-S629 WeakPolarHBondContact O-CB 3.42Å; L626-S629 PolarHBondContact O-N 2.74Å; L626-S629 PolarHBondContact O-OG 3.32Å; L626-N684 HydrophobicContact CD1-CB 4.03Å
627P87.8Confident92.7Very high88 Ų8840.3 Ų40.357%0.57121%0.214SC*.THydrogen-bonded Turntrans-56.4-28173.8-2435000113.5
628E88.8Confident92Very high136 Ų13646.2 Ų46.264%0.63624%0.241SC*.THydrogen-bonded Turntrans-949.1176.9-53.271.9-156.300113.7L626 K630L626-E628 PolarHBondContact O-N 3.2Å; L626-E628 VanDerWaalsContact O-N 3.13Å; E628-K630 PolarHBondContact O-N 3.38Å
629S93Very high91.3Very high5 Ų551.7 Ų51.74%0.03527%0.27CS..  trans-61.9124.3173.7-73.80000110.7L626 C683 N684L626-S629 PolarHBondContact N-OG 3.02Å; L626-S629 VanDerWaalsContact O-CB 3.23Å; L626-S629 WeakPolarHBondContact O-CB 3.42Å; L626-S629 PolarHBondContact O-N 2.74Å; L626-S629 PolarHBondContact O-OG 3.32Å; S629-C683 WeakPolarHBondContact CA-O 3.18Å; S629-N684 PolarHBondContact OG-OD1 3.24Å
630K94.9Very high90.6Very high85 Ų8549.6 Ų49.637%0.3727%0.269SS..EExtended strand (participates in β ladder)trans-98.7147.3172.3-65.6168.1166.7-77.30109.5E628 E647 V682 C683E628-K630 PolarHBondContact O-N 3.38Å; K630-E647 HydrophobicContact CB-CG 4.33Å; K630-E647 WeakPolarHBondContact CD-OE2 3.27Å; K630-E647 WeakPolarHBondContact CG-OE1 3.12Å; K630-E647 IonicContact NZ-OE1 3.58Å; K630-E647 PolarHBondContact NZ-OE1 2.84Å; K630-E647 IonicContact NZ-OE2 3.81Å; K630-E647 PolarHBondContact NZ-OE2 2.86Å; K630-V682 CarbonylContact O-C 3.54Å; K630-V682 VanDerWaalsContact O-CA 3.29Å; K630-V682 WeakPolarHBondContact O-CA 3.26Å; K630-C683 PolarHBondContact N-O 3.17Å; K630-C683 PolarHBondContact O-N 2.73Å
631V96.4Very high89.8Confident0 Ų056.1 Ų56.10%030%0.299CS..EExtended strand (participates in β ladder)trans-110.7130.1170.1-177.30000107.6L620 F633 E647 A648 V650 L660 V662 F680 Y681 V682L620-V631 HydrophobicContact CD1-CG1 4.3Å; L620-V631 HydrophobicContact CD1-CG2 4.04Å; V631-F633 HydrophobicContact CG1-CD2 4.48Å; V631-F633 HydrophobicContact CG1-CE2 4.11Å; V631-E647 WeakPolarHBondContact O-CA 3.4Å; V631-A648 HydrophobicContact CB-CB 4.27Å; V631-A648 HydrophobicContact CG1-CB 4.35Å; V631-A648 PolarHBondContact O-N 3.04Å; V631-V650 HydrophobicContact CB-CG2 4.32Å; V631-V650 HydrophobicContact CG2-CG2 3.78Å; V631-L660 HydrophobicContact CG2-CD1 4.28Å; V631-V662 HydrophobicContact CB-CG2 3.94Å; V631-V662 HydrophobicContact CG1-CG1 4.46Å; V631-V662 HydrophobicContact CG1-CG2 4.29Å; V631-V662 HydrophobicContact CG2-CB 4.23Å; V631-V662 HydrophobicContact CG2-CG1 4.41Å; V631-V662 HydrophobicContact CG2-CG2 4.07Å; V631-F680 HydrophobicContact CG1-CD2 3.97Å; V631-Y681 WeakPolarHBondContact CA-O 3.38Å; V631-V682 HydrophobicContact CG2-CG2 4.32Å
632V96.6Very high89.5Confident10 Ų1059 Ų596%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-129.6121.9-174.2-173.30000109.8V634 E645 T646 F680 Y681V632-V634 HydrophobicContact CG1-CG2 4.13Å; V632-E645 HydrophobicContact CG1-CG 3.54Å; V632-E645 WeakPolarHBondContact CG1-OE1 3.16Å; V632-T646 WeakPolarHBondContact CA-O 3.4Å; V632-F680 CarbonylContact O-C 3.58Å; V632-F680 WeakPolarHBondContact O-CA 3.43Å; V632-F680 WeakPolarHBondContact O-CB 3.42Å; V632-Y681 HydrophobicContact CB-CD1 4.41Å; V632-Y681 HydrophobicContact CB-CE1 3.86Å; V632-Y681 HydrophobicContact CB-CE2 4.02Å; V632-Y681 HydrophobicContact CG1-CE1 4.01Å; V632-Y681 HydrophobicContact CG2-CE2 4.16Å; V632-Y681 PolarHBondContact N-O 3.38Å; V632-Y681 PolarHBondContact O-N 3.03Å
633F97.6Very high89.5Confident0 Ų063.2 Ų63.20%033%0.328CS..EExtended strand (participates in β ladder)trans-88.7137.1173.4-75.2-112.5000109.3M618 V631 W644 E645 T646 A648 P665 V678 N679 F680 F695 Y697M618-F633 HydrophobicContact CE-CE2 4.48Å; M618-F633 HydrophobicContact CE-CZ 3.87Å; V631-F633 HydrophobicContact CG1-CD2 4.48Å; V631-F633 HydrophobicContact CG1-CE2 4.11Å; F633-W644 HydrophobicContact CB-CH2 3.91Å; F633-W644 HydrophobicContact CB-CZ3 3.86Å; F633-E645 CarbonylContact O-C 3.53Å; F633-E645 VanDerWaalsContact O-CA 3.31Å; F633-E645 WeakPolarHBondContact O-CA 3.02Å; F633-T646 PolarHBondContact N-O 2.63Å; F633-T646 PolarHBondContact O-N 2.67Å; F633-A648 HydrophobicContact CD2-CB 3.76Å; F633-A648 HydrophobicContact CE2-CB 3.67Å; F633-P665 HydrophobicContact CB-CG 4.27Å; F633-P665 HydrophobicContact CD2-CG 3.73Å; F633-P665 HydrophobicContact CE2-CG 4.16Å; F633-P665 HydrophobicContact CG-CG 3.92Å; F633-V678 HydrophobicContact CD1-CG2 4.05Å; F633-N679 CarbonylContact C-O 3.56Å; F633-N679 WeakPolarHBondContact CA-O 3.47Å; F633-F680 HydrophobicContact CB-CB 4.49Å; F633-F680 HydrophobicContact CD1-CB 4.02Å; F633-F680 HydrophobicContact CD2-CB 3.93Å; F633-F680 HydrophobicContact CE1-CB 4.22Å; F633-F680 HydrophobicContact CE1-CD1 4.21Å; F633-F680 HydrophobicContact CE1-CG 4.45Å; F633-F680 HydrophobicContact CE2-CB 4.12Å; F633-F680 HydrophobicContact CE2-CG 4.45Å; F633-F680 HydrophobicContact CG-CB 3.88Å; F633-F680 HydrophobicContact CZ-CB 4.27Å; F633-F680 HydrophobicContact CZ-CD1 4.32Å; F633-F680 HydrophobicContact CZ-CG 4.32Å; F633-F695 HydrophobicContact CD1-CD1 4.47Å; F633-F695 HydrophobicContact CE1-CB 4.12Å; F633-F695 AromaticContact CE1-CD1 3.87Å; F633-F695 HydrophobicContact CE1-CD1 3.87Å; F633-F695 HydrophobicContact CE1-CD2 4.18Å; F633-F695 HydrophobicContact CE1-CE1 4.34Å; F633-F695 AromaticContact CE1-CG 3.79Å; F633-F695 HydrophobicContact CE1-CG 3.79Å; F633-Y697 HydrophobicContact CD1-CE2 4.33Å; F633-Y697 WeakPolarHBondContact CD1-OH 3.37Å
634V96.4Very high89.9Confident0 Ų061.7 Ų61.70%032%0.319CS..EExtended strand (participates in β ladder)trans-140.8133.6-177.7-179.70000111.7V632 K636 H642 W644 E645 N679 Y681V632-V634 HydrophobicContact CG1-CG2 4.13Å; V634-K636 HydrophobicContact CG1-CG 3.94Å; V634-H642 HydrophobicContact CG1-CB 4.44Å; V634-W644 CarbonylContact C-O 3.49Å; V634-W644 VanDerWaalsContact CA-O 3.28Å; V634-W644 WeakPolarHBondContact CA-O 3.44Å; V634-E645 HydrophobicContact CG2-CB 4.06Å; V634-E645 HydrophobicContact CG2-CG 3.69Å; V634-E645 WeakPolarHBondContact CG2-OE1 3.48Å; V634-N679 PolarHBondContact N-O 2.72Å; V634-N679 PolarHBondContact O-N 3.34Å; V634-Y681 HydrophobicContact CG2-CD1 4.37Å; V634-Y681 HydrophobicContact CG2-CE1 3.69Å
635E95.3Very high90.3Very high22 Ų2262.9 Ų62.910%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-109.7143.9163.6-167.7-174.6128.900109.9H642 L643 W644 Y667 R668 V678E635-H642 WeakPolarHBondContact O-CA 3.37Å; E635-L643 PolarHBondContact O-N 2.97Å; E635-W644 HydrophobicContact CB-CB 4.26Å; E635-W644 HydrophobicContact CB-CE3 4.4Å; E635-W644 PolarHBondContact N-O 3.02Å; E635-W644 PolarHBondContact O-N 3.05Å; E635-Y667 VanDerWaalsContact OE2-CE2 3.26Å; E635-Y667 WeakPolarHBondContact OE2-CE2 3.41Å; E635-Y667 PolarHBondContact OE2-OH 2.89Å; E635-R668 IonicContact OE1-CZ 2.71Å; E635-R668 IonicContact OE1-NH1 3.81Å; E635-R668 PolarHBondContact OE1-NH1 3.22Å; E635-R668 VanDerWaalsContact OE1-NH1 3.16Å; E635-R668 IonicContact OE1-NH2 2.7Å; E635-R668 PolarHBondContact OE1-NH2 2.7Å; E635-R668 IonicContact OE2-CZ 3.07Å; E635-R668 IonicContact OE2-NH1 3.61Å; E635-R668 PolarHBondContact OE2-NH1 2.8Å; E635-R668 IonicContact OE2-NH2 2.98Å; E635-R668 PolarHBondContact OE2-NH2 3.22Å; E635-V678 HydrophobicContact CB-CG1 4.02Å; E635-V678 HydrophobicContact CG-CG1 4.29Å
636K90.4Very high90.6Very high78 Ų7864.8 Ų64.834%0.33934%0.335SS..EExtended strand (participates in β ladder)trans-125.5144.3179-51.9-164.3-172-142.90111.2V634 H641 H642 Y692V634-K636 HydrophobicContact CG1-CG 3.94Å; K636-H641 CarbonylContact C-O 3.56Å; K636-H641 WeakPolarHBondContact CA-O 3.45Å; K636-H642 WeakPolarHBondContact CE-NE2 3.47Å; K636-H642 PolarHBondContact NZ-NE2 2.63Å; K636-Y692 PolarHBondContact NZ-OH 2.91Å
637A86.5Confident91Very high26 Ų2666 Ų6622%0.21534%0.338CS..  trans-72.3170.6168.100000110.9D639 G640 H641 L643A637-D639 WeakPolarHBondContact CB-OD1 3.49Å; A637-D639 PolarHBondContact O-N 3.46Å; A637-G640 PolarHBondContact O-N 2.99Å; A637-H641 PolarHBondContact N-O 3.49Å; A637-L643 HydrophobicContact CB-CD1 3.83Å; A637-L643 HydrophobicContact CB-CD2 3.99Å; A637-L643 HydrophobicContact CB-CG 3.73Å
638Q82.7Confident91.4Very high212 Ų21261.9 Ų61.999%0.99131%0.311SS*.THydrogen-bonded Turntrans-65.4-22.8-179.4-64.4178.6-6.900112.8G640Q638-G640 VanDerWaalsContact C-N 3.31Å
639D81.1Confident91.8Very high114 Ų11462.1 Ų62.161%0.6131%0.31SS*.THydrogen-bonded Turntrans-77.6-9.6171.75626.4000113.9A637 H641A637-D639 WeakPolarHBondContact CB-OD1 3.49Å; A637-D639 PolarHBondContact O-N 3.46Å; D639-H641 WeakPolarHBondContact OD1-CB 3.29Å; D639-H641 IonicContact OD1-CD2 3.98Å; D639-H641 IonicContact OD1-CG 2.67Å; D639-H641 PolarHBondContact OD1-N 2.97Å; D639-H641 IonicContact OD2-CD2 2.74Å
640G80.1Confident91.9Very high42 Ų4263.1 Ų63.143%0.43332%0.316SS..SBendtrans89.9-4.9-177.400000116A637 Q638A637-G640 PolarHBondContact O-N 2.99Å; Q638-G640 VanDerWaalsContact C-N 3.31Å
641H81.3Confident91.7Very high137 Ų13761.8 Ų61.863%0.63431%0.313SS*.  trans-68.4149.4174.2-72.6-75.8000111.5K636 A637 D639 L643K636-H641 CarbonylContact C-O 3.56Å; K636-H641 WeakPolarHBondContact CA-O 3.45Å; A637-H641 PolarHBondContact N-O 3.49Å; D639-H641 WeakPolarHBondContact OD1-CB 3.29Å; D639-H641 IonicContact OD1-CD2 3.98Å; D639-H641 IonicContact OD1-CG 2.67Å; D639-H641 PolarHBondContact OD1-N 2.97Å; D639-H641 IonicContact OD2-CD2 2.74Å; H641-L643 PolarHBondContact O-N 3.18Å
642H86.3Confident91.2Very high81 Ų8169.6 Ų69.638%0.37535%0.347SS..EExtended strand (participates in β ladder)trans-78.2114.7179.4-68.9-167.3000109.9V634 E635 K636 E645V634-H642 HydrophobicContact CG1-CB 4.44Å; E635-H642 WeakPolarHBondContact O-CA 3.37Å; K636-H642 WeakPolarHBondContact CE-NE2 3.47Å; K636-H642 PolarHBondContact NZ-NE2 2.63Å; H642-E645 IonicContact CE1-OE2 3.59Å; H642-E645 PolarHBondContact CE1-OE2 3.15Å; H642-E645 VanDerWaalsContact CE1-OE2 3.32Å; H642-E645 IonicContact CG-OE2 3.52Å; H642-E645 IonicContact ND1-OE2 2.79Å; H642-E645 PolarHBondContact ND1-OE2 3.28Å
643L91.7Very high90.5Very high91 Ų9176.8 Ų76.848%0.47639%0.385SS..EExtended strand (participates in β ladder)trans-79.7-26.1174-73.7174.7000112.4E635 A637 H641E635-L643 PolarHBondContact O-N 2.97Å; A637-L643 HydrophobicContact CB-CD1 3.83Å; A637-L643 HydrophobicContact CB-CD2 3.99Å; A637-L643 HydrophobicContact CB-CG 3.73Å; H641-L643 PolarHBondContact O-N 3.18Å
644W95.3Very high89.6Confident28 Ų2878 Ų7811%0.10639%0.393CS..EExtended strand (participates in β ladder)trans-159.6136178.3174.763000108.9F633 V634 E635 T646 P665 Y667 R668 V678 Y697F633-W644 HydrophobicContact CB-CH2 3.91Å; F633-W644 HydrophobicContact CB-CZ3 3.86Å; V634-W644 CarbonylContact C-O 3.49Å; V634-W644 VanDerWaalsContact CA-O 3.28Å; V634-W644 WeakPolarHBondContact CA-O 3.44Å; E635-W644 HydrophobicContact CB-CB 4.26Å; E635-W644 HydrophobicContact CB-CE3 4.4Å; E635-W644 PolarHBondContact N-O 3.02Å; E635-W644 PolarHBondContact O-N 3.05Å; W644-T646 HydrophobicContact CZ2-CG2 4.24Å; W644-T646 PolarHBondContact NE1-OG1 2.8Å; W644-P665 HydrophobicContact CH2-CG 4.31Å; W644-Y667 HydrophobicContact CD2-CD2 4.21Å; W644-Y667 HydrophobicContact CD2-CE2 4.29Å; W644-Y667 AromaticContact CE3-CD2 3.86Å; W644-Y667 HydrophobicContact CE3-CD2 3.86Å; W644-Y667 AromaticContact CE3-CE2 3.97Å; W644-Y667 HydrophobicContact CE3-CE2 3.97Å; W644-Y667 AromaticContact CH2-CD2 3.98Å; W644-Y667 HydrophobicContact CH2-CD2 3.98Å; W644-Y667 HydrophobicContact CZ2-CD2 4.31Å; W644-Y667 AromaticContact CZ3-CD2 3.75Å; W644-Y667 HydrophobicContact CZ3-CD2 3.75Å; W644-Y667 HydrophobicContact CZ3-CE2 4.29Å; W644-R668 VanDerWaalsContact CB-NH1 3.34Å; W644-R668 HydrophobicContact CG-CB 4.18Å; W644-R668 HydrophobicContact CG-CG 4.34Å; W644-V678 HydrophobicContact CE3-CG1 4.28Å; W644-V678 HydrophobicContact CZ3-CG1 4.08Å; W644-Y697 AromaticContact CH2-CE2 3.74Å; W644-Y697 HydrophobicContact CH2-CE2 3.74Å; W644-Y697 AromaticContact CZ3-CE2 3.79Å; W644-Y697 HydrophobicContact CZ3-CE2 3.79Å
645E95.8Very high88.8Confident80 Ų8079.4 Ų79.437%0.37440%0.402SS..EExtended strand (participates in β ladder)trans-138.2133.2171.4-179.5149.8-149.600107.4V632 F633 V634 H642 Y681V632-E645 HydrophobicContact CG1-CG 3.54Å; V632-E645 WeakPolarHBondContact CG1-OE1 3.16Å; F633-E645 CarbonylContact O-C 3.53Å; F633-E645 VanDerWaalsContact O-CA 3.31Å; F633-E645 WeakPolarHBondContact O-CA 3.02Å; V634-E645 HydrophobicContact CG2-CB 4.06Å; V634-E645 HydrophobicContact CG2-CG 3.69Å; V634-E645 WeakPolarHBondContact CG2-OE1 3.48Å; H642-E645 IonicContact CE1-OE2 3.59Å; H642-E645 PolarHBondContact CE1-OE2 3.15Å; H642-E645 VanDerWaalsContact CE1-OE2 3.32Å; H642-E645 IonicContact CG-OE2 3.52Å; H642-E645 IonicContact ND1-OE2 2.79Å; H642-E645 PolarHBondContact ND1-OE2 3.28Å; E645-Y681 PolarHBondContact OE1-OH 3.44Å
646T96.7Very high88.2Confident44 Ų4485.1 Ų85.127%0.2743%0.426SS..EExtended strand (participates in β ladder)trans-150.6128.9-178-73.90000110.7V632 F633 W644 P665V632-T646 WeakPolarHBondContact CA-O 3.4Å; F633-T646 PolarHBondContact N-O 2.63Å; F633-T646 PolarHBondContact O-N 2.67Å; W644-T646 HydrophobicContact CZ2-CG2 4.24Å; W644-T646 PolarHBondContact NE1-OG1 2.8Å; T646-P665 HydrophobicContact CG2-CB 3.72Å; T646-P665 HydrophobicContact CG2-CG 4.15Å
647E96.9Very high87.5Confident106 Ų10685.9 Ų85.950%0.49544%0.438SS..EExtended strand (participates in β ladder)trans-75.5126173-170.2175.5140.900109.9K630 V631K630-E647 HydrophobicContact CB-CG 4.33Å; K630-E647 WeakPolarHBondContact CD-OE2 3.27Å; K630-E647 WeakPolarHBondContact CG-OE1 3.12Å; K630-E647 IonicContact NZ-OE1 3.58Å; K630-E647 PolarHBondContact NZ-OE1 2.84Å; K630-E647 IonicContact NZ-OE2 3.81Å; K630-E647 PolarHBondContact NZ-OE2 2.86Å; V631-E647 WeakPolarHBondContact O-CA 3.4Å
648A96.7Very high87.6Confident2 Ų288.6 Ų88.62%0.01745%0.449CS..EExtended strand (participates in β ladder)trans-88.3141.7178.100000110.5V631 F633 V650 V662 P665V631-A648 HydrophobicContact CB-CB 4.27Å; V631-A648 HydrophobicContact CG1-CB 4.35Å; V631-A648 PolarHBondContact O-N 3.04Å; F633-A648 HydrophobicContact CD2-CB 3.76Å; F633-A648 HydrophobicContact CE2-CB 3.67Å; A648-V650 PolarHBondContact O-N 3.35Å; A648-V650 VanDerWaalsContact O-N 3.11Å; A648-V662 HydrophobicContact CB-CG2 3.42Å; A648-V662 VanDerWaalsContact CB-CG2 3.42Å; A648-P665 HydrophobicContact CB-CG 4.08Å
649K95.6Very high88.1Confident142 Ų14280.5 Ų80.562%0.61741%0.414SS*.EExtended strand (participates in β ladder)trans-75.6103.6-172.7168.6166.9159.5-81.80110.5E663K649-E663 HydrophobicContact CB-CB 4.15Å; K649-E663 WeakPolarHBondContact CD-OE2 3.45Å; K649-E663 IonicContact NZ-OE2 2.63Å; K649-E663 PolarHBondContact NZ-OE2 3.13Å; K649-E663 PolarHBondContact O-N 3.42Å
650V94.9Very high88.7Confident25 Ų2575 Ų7515%0.15239%0.385CS..EExtended strand (participates in β ladder)trans-74.4131.2174.5-179.10000109.8V631 A648 K652 V655 L660 V662V631-V650 HydrophobicContact CB-CG2 4.32Å; V631-V650 HydrophobicContact CG2-CG2 3.78Å; A648-V650 PolarHBondContact O-N 3.35Å; A648-V650 VanDerWaalsContact O-N 3.11Å; V650-K652 PolarHBondContact O-N 2.79Å; V650-V655 HydrophobicContact CG1-CG2 3.91Å; V650-L660 HydrophobicContact CG1-CD2 4.11Å; V650-V662 HydrophobicContact CG2-CB 4.49Å; V650-V662 HydrophobicContact CG2-CG2 4.17Å
651D91.8Very high89.4Confident58 Ų5874.6 Ų74.631%0.3137%0.373SS..  trans-76.399170176.83000109.2M617 D653 S654 V655 V661M617-D651 HydrophobicContact CE-CB 3.92Å; D651-D653 VanDerWaalsContact C-N 3.26Å; D651-D653 PolarHBondContact O-N 3.21Å; D651-D653 PolarHBondContact OD1-N 2.97Å; D651-S654 WeakPolarHBondContact O-CB 3.17Å; D651-S654 PolarHBondContact O-N 3.31Å; D651-S654 VanDerWaalsContact O-N 3.16Å; D651-S654 PolarHBondContact O-OG 3.45Å; D651-V655 WeakPolarHBondContact O-CG2 3.45Å; D651-V661 HydrophobicContact CB-CB 4.23Å; D651-V661 PolarHBondContact N-O 3.28Å
652K86.3Confident90.2Very high163 Ų16368 Ų6871%0.70934%0.343SS*.G310 helixtrans-61.9-32.5-173.2-65.6-174.3178.6-176.90113.3V650 S654 V655V650-K652 PolarHBondContact O-N 2.79Å; K652-S654 PolarHBondContact O-N 2.93Å; K652-V655 WeakPolarHBondContact O-CG2 3.36Å; K652-V655 PolarHBondContact O-N 2.67Å
653D81.8Confident90.7Very high162 Ų16266.9 Ų66.987%0.86634%0.338SS*.G310 helixtrans-79-14.8-176.6-56.4-32.7000111.4D651D651-D653 VanDerWaalsContact C-N 3.26Å; D651-D653 PolarHBondContact O-N 3.21Å; D651-D653 PolarHBondContact OD1-N 2.97Å
654S78.1Confident91Very high24 Ų2462.5 Ų62.517%0.16832%0.315CS..G310 helixtrans-86.1-13.6173.681.20000114.9D651 K652 K656 V661D651-S654 WeakPolarHBondContact O-CB 3.17Å; D651-S654 PolarHBondContact O-N 3.31Å; D651-S654 VanDerWaalsContact O-N 3.16Å; D651-S654 PolarHBondContact O-OG 3.45Å; K652-S654 PolarHBondContact O-N 2.93Å; S654-K656 PolarHBondContact O-N 3.42Å; S654-V661 WeakPolarHBondContact OG-CB 3.46Å; S654-V661 PolarHBondContact OG-N 3.32Å
655V79.7Confident91.1Very high30 Ų3061.6 Ų61.618%0.18231%0.313CS..  trans-68.1128.3-165.6177.80000111.9V650 D651 K652 L660V650-V655 HydrophobicContact CG1-CG2 3.91Å; D651-V655 WeakPolarHBondContact O-CG2 3.45Å; K652-V655 WeakPolarHBondContact O-CG2 3.36Å; K652-V655 PolarHBondContact O-N 2.67Å; V655-L660 HydrophobicContact CB-CD2 4.18Å; V655-L660 HydrophobicContact CG1-CD2 3.67Å; V655-L660 HydrophobicContact CG2-CD2 3.7Å
656K82.3Confident91.2Very high142 Ų14261 Ų6162%0.61732%0.315SS*.BIsolated β-bridgetrans-134.5158.5171-51.3174.2-172173.90108.4S654 N658 T659S654-K656 PolarHBondContact O-N 3.42Å; K656-N658 PolarHBondContact O-N 3.29Å; K656-T659 WeakPolarHBondContact CB-OG1 3.36Å; K656-T659 PolarHBondContact N-O 2.78Å; K656-T659 PolarHBondContact O-N 3.03Å
657T75.9Confident91.2Very high94 Ų9459.3 Ų59.358%0.57730%0.304SS*.THydrogen-bonded Turntrans-48.2-29.1-177.5-37.90000114.6N624 F625N624-T657 PolarHBondContact N-O 3.49Å; F625-T657 PolarHBondContact N-O 2.89Å; F625-T657 WeakPolarHBondContact O-CA 3.28Å
658N88.2Confident91.1Very high83 Ų8360.1 Ų60.144%0.44430%0.303SS..THydrogen-bonded Turntrans-118.3-0.1-177.1-63.729.6000114.3G621 G622 K656G621-N658 WeakPolarHBondContact CA-O 3.1Å; G622-N658 PolarHBondContact N-O 3.11Å; G622-N658 WeakPolarHBondContact O-CA 3.19Å; G622-N658 WeakPolarHBondContact O-CB 3.31Å; K656-N658 PolarHBondContact O-N 3.29Å
659T93Very high90.9Very high42 Ų4263.7 Ų63.726%0.25832%0.322SS..EExtended strand (participates in β ladder)trans-142.9134.517959.60000113.9L619 L620 K656L619-T659 HydrophobicContact CD1-CG2 4.32Å; L620-T659 VanDerWaalsContact O-CA 3.3Å; L620-T659 WeakPolarHBondContact O-CA 3.5Å; K656-T659 WeakPolarHBondContact CB-OG1 3.36Å; K656-T659 PolarHBondContact N-O 2.78Å; K656-T659 PolarHBondContact O-N 3.03Å
660L94.6Very high90.7Very high0 Ų061.7 Ų61.70%031%0.314CS..EExtended strand (participates in β ladder)trans-121.7136.6169.3-65.3170.2000109.4L620 F625 V631 V650 V655 V682L620-L660 HydrophobicContact CB-CB 4.4Å; L620-L660 PolarHBondContact N-O 3.48Å; L620-L660 PolarHBondContact O-N 3.31Å; F625-L660 HydrophobicContact CB-CD1 4.1Å; F625-L660 HydrophobicContact CB-CD2 4.08Å; F625-L660 HydrophobicContact CB-CG 3.92Å; F625-L660 HydrophobicContact CD1-CD1 3.83Å; F625-L660 HydrophobicContact CD1-CG 4.36Å; F625-L660 HydrophobicContact CD2-CB 4.47Å; F625-L660 HydrophobicContact CD2-CD1 3.98Å; F625-L660 HydrophobicContact CD2-CG 3.63Å; F625-L660 HydrophobicContact CE1-CD1 4.23Å; F625-L660 HydrophobicContact CE2-CD1 4.35Å; F625-L660 HydrophobicContact CE2-CG 4.2Å; F625-L660 HydrophobicContact CG-CD1 3.71Å; F625-L660 HydrophobicContact CG-CD2 4.44Å; F625-L660 HydrophobicContact CG-CG 3.73Å; F625-L660 HydrophobicContact CZ-CD1 4.47Å; V631-L660 HydrophobicContact CG2-CD1 4.28Å; V650-L660 HydrophobicContact CG1-CD2 4.11Å; V655-L660 HydrophobicContact CB-CD2 4.18Å; V655-L660 HydrophobicContact CG1-CD2 3.67Å; V655-L660 HydrophobicContact CG2-CD2 3.7Å; L660-V682 HydrophobicContact CD1-CG1 3.88Å; L660-V682 HydrophobicContact CD1-CG2 4.3Å
661V95.8Very high90.6Very high32 Ų3271.4 Ų71.419%0.19435%0.348CS..EExtended strand (participates in β ladder)trans-100.4132.7161.2-172.70000108.5M617 L619 D651 S654M617-V661 HydrophobicContact CB-CG1 3.97Å; M617-V661 HydrophobicContact CE-CG1 3.94Å; M617-V661 HydrophobicContact CG-CG1 4.43Å; M617-V661 HydrophobicContact SD-CG1 4.34Å; L619-V661 HydrophobicContact CD1-CG2 3.96Å; D651-V661 HydrophobicContact CB-CB 4.23Å; D651-V661 PolarHBondContact N-O 3.28Å; S654-V661 WeakPolarHBondContact OG-CB 3.46Å; S654-V661 PolarHBondContact OG-N 3.32Å
662V96.4Very high90.7Very high0 Ų069.5 Ų69.50%034%0.338CS..EExtended strand (participates in β ladder)trans-136.2135.1-177.163.60000111.3M618 L620 V631 A648 V650 I664M618-V662 HydrophobicContact CB-CG1 4.21Å; M618-V662 HydrophobicContact CE-CG1 3.72Å; M618-V662 PolarHBondContact N-O 3.12Å; M618-V662 WeakPolarHBondContact O-CG1 3.39Å; M618-V662 PolarHBondContact O-N 3.38Å; L620-V662 HydrophobicContact CD1-CG1 4.06Å; L620-V662 HydrophobicContact CG-CG1 4.24Å; V631-V662 HydrophobicContact CB-CG2 3.94Å; V631-V662 HydrophobicContact CG1-CG1 4.46Å; V631-V662 HydrophobicContact CG1-CG2 4.29Å; V631-V662 HydrophobicContact CG2-CB 4.23Å; V631-V662 HydrophobicContact CG2-CG1 4.41Å; V631-V662 HydrophobicContact CG2-CG2 4.07Å; A648-V662 HydrophobicContact CB-CG2 3.42Å; A648-V662 VanDerWaalsContact CB-CG2 3.42Å; V650-V662 HydrophobicContact CG2-CB 4.49Å; V650-V662 HydrophobicContact CG2-CG2 4.17Å; V662-I664 PolarHBondContact O-N 2.86Å
663E97.7Very high91Very high56 Ų5667.4 Ų67.426%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-76117.8172-166.4-177.5151.500109.5M617 K649M617-E663 HydrophobicContact SD-CB 3.79Å; M617-E663 HydrophobicContact SD-CG 4.22Å; K649-E663 HydrophobicContact CB-CB 4.15Å; K649-E663 WeakPolarHBondContact CD-OE2 3.45Å; K649-E663 IonicContact NZ-OE2 2.63Å; K649-E663 PolarHBondContact NZ-OE2 3.13Å; K649-E663 PolarHBondContact O-N 3.42Å
664I97.8Very high91.5Very high0 Ų062.9 Ų62.90%033%0.325CS..PPolyproline II helixtrans-61122.2177.5-67160.9000108.4V607 Y610 G614 G615 K616 M618 V662 F695 Y697V607-I664 HydrophobicContact CB-CD1 4.23Å; V607-I664 HydrophobicContact CG1-CD1 3.98Å; V607-I664 HydrophobicContact CG2-CD1 4.45Å; Y610-I664 HydrophobicContact CG-CD1 4.42Å; G614-I664 CarbonylContact C-O 3.5Å; G614-I664 WeakPolarHBondContact CA-O 3.19Å; G615-I664 PolarHBondContact N-O 3.32Å; K616-I664 HydrophobicContact CB-CD1 4.18Å; K616-I664 HydrophobicContact CG-CD1 4.36Å; K616-I664 WeakPolarHBondContact O-CB 3.45Å; K616-I664 WeakPolarHBondContact O-CG1 3.47Å; K616-I664 PolarHBondContact O-N 3.19Å; M618-I664 HydrophobicContact CB-CD1 4.03Å; M618-I664 HydrophobicContact CB-CG1 3.98Å; M618-I664 HydrophobicContact CE-CG1 4.39Å; V662-I664 PolarHBondContact O-N 2.86Å; I664-F695 HydrophobicContact CD1-CE2 3.89Å; I664-F695 HydrophobicContact CD1-CZ 3.84Å; I664-F695 HydrophobicContact CG1-CE2 4.32Å; I664-F695 HydrophobicContact CG1-CZ 4.26Å; I664-F695 HydrophobicContact CG2-CE1 4.12Å; I664-F695 HydrophobicContact CG2-CZ 3.8Å; I664-Y697 HydrophobicContact CG2-CE1 3.72Å
665P97.7Very high92.3Very high9 Ų965.8 Ų65.86%0.05834%0.343CS..PPolyproline II helixtrans-71.5154-175.229.1-32.8000111.2F633 W644 T646 A648 Y667 Y697F633-P665 HydrophobicContact CB-CG 4.27Å; F633-P665 HydrophobicContact CD2-CG 3.73Å; F633-P665 HydrophobicContact CE2-CG 4.16Å; F633-P665 HydrophobicContact CG-CG 3.92Å; W644-P665 HydrophobicContact CH2-CG 4.31Å; T646-P665 HydrophobicContact CG2-CB 3.72Å; T646-P665 HydrophobicContact CG2-CG 4.15Å; A648-P665 HydrophobicContact CB-CG 4.08Å; P665-Y667 PolarHBondContact O-N 2.81Å; P665-Y697 WeakPolarHBondContact O-CE1 3.27Å; P665-Y697 PolarHBondContact O-OH 3.38Å; P665-Y697 VanDerWaalsContact O-OH 3.05Å
666P97Very high93.1Very high66 Ų6665.8 Ų65.843%0.42934%0.343SS..PPolyproline II helixtrans-61.1136.4167.8-19.131.4000110.6T613T613-P666 WeakPolarHBondContact O-CB 3.45Å; T613-P666 WeakPolarHBondContact O-CG 3.29Å
667Y97Very high93.7Very high10 Ų1063.7 Ų63.74%0.03934%0.336CS..PPolyproline II helixtrans-78150.3178.1175.6-115.7000111.5A612 E635 W644 P665 N669 I672 V676 V678 Y697A612-Y667 HydrophobicContact CB-CD1 4.35Å; A612-Y667 PolarHBondContact O-N 2.89Å; E635-Y667 VanDerWaalsContact OE2-CE2 3.26Å; E635-Y667 WeakPolarHBondContact OE2-CE2 3.41Å; E635-Y667 PolarHBondContact OE2-OH 2.89Å; W644-Y667 HydrophobicContact CD2-CD2 4.21Å; W644-Y667 HydrophobicContact CD2-CE2 4.29Å; W644-Y667 AromaticContact CE3-CD2 3.86Å; W644-Y667 HydrophobicContact CE3-CD2 3.86Å; W644-Y667 AromaticContact CE3-CE2 3.97Å; W644-Y667 HydrophobicContact CE3-CE2 3.97Å; W644-Y667 AromaticContact CH2-CD2 3.98Å; W644-Y667 HydrophobicContact CH2-CD2 3.98Å; W644-Y667 HydrophobicContact CZ2-CD2 4.31Å; W644-Y667 AromaticContact CZ3-CD2 3.75Å; W644-Y667 HydrophobicContact CZ3-CD2 3.75Å; W644-Y667 HydrophobicContact CZ3-CE2 4.29Å; P665-Y667 PolarHBondContact O-N 2.81Å; Y667-N669 WeakPolarHBondContact CD1-O 3.3Å; Y667-N669 HydrophobicContact CE1-CB 4.16Å; Y667-N669 PolarHBondContact O-N 2.96Å; Y667-I672 HydrophobicContact CD1-CD1 4.47Å; Y667-I672 HydrophobicContact CD1-CG2 4.1Å; Y667-I672 HydrophobicContact CE1-CG2 3.66Å; Y667-V676 HydrophobicContact CE1-CB 4.22Å; Y667-V676 HydrophobicContact CE1-CG1 4.17Å; Y667-V676 HydrophobicContact CE1-CG2 4.34Å; Y667-V676 HydrophobicContact CE2-CG1 4.26Å; Y667-V678 HydrophobicContact CE2-CG1 4.4Å; Y667-Y697 AromaticContact CD2-CD2 3.73Å; Y667-Y697 HydrophobicContact CD2-CD2 3.73Å; Y667-Y697 HydrophobicContact CD2-CE2 4.03Å; Y667-Y697 HydrophobicContact CD2-CG 4.44Å; Y667-Y697 AromaticContact CG-CD2 3.74Å; Y667-Y697 HydrophobicContact CG-CD2 3.74Å; Y667-Y697 HydrophobicContact CG-CE2 4.25Å; Y667-Y697 AromaticContact CG-CG 3.99Å; Y667-Y697 HydrophobicContact CG-CG 3.99Å
668R94.1Very high94.7Very high122 Ų12259.2 Ų59.246%0.4631%0.308SS..SBendtrans-55.2-27.3-171.470.1159.4-176.6-76.1-4.2114.9E635 W644E635-R668 IonicContact OE1-CZ 2.71Å; E635-R668 IonicContact OE1-NH1 3.81Å; E635-R668 PolarHBondContact OE1-NH1 3.22Å; E635-R668 VanDerWaalsContact OE1-NH1 3.16Å; E635-R668 IonicContact OE1-NH2 2.7Å; E635-R668 PolarHBondContact OE1-NH2 2.7Å; E635-R668 IonicContact OE2-CZ 3.07Å; E635-R668 IonicContact OE2-NH1 3.61Å; E635-R668 PolarHBondContact OE2-NH1 2.8Å; E635-R668 IonicContact OE2-NH2 2.98Å; E635-R668 PolarHBondContact OE2-NH2 3.22Å; W644-R668 VanDerWaalsContact CB-NH1 3.34Å; W644-R668 HydrophobicContact CG-CB 4.18Å; W644-R668 HydrophobicContact CG-CG 4.34Å
669N92.8Very high95.1Very high78 Ų7857.5 Ų57.542%0.41730%0.299SS..  trans-126.1103.7170.5177.98.2000109.1Y667 R671 I672Y667-N669 WeakPolarHBondContact CD1-O 3.3Å; Y667-N669 HydrophobicContact CE1-CB 4.16Å; Y667-N669 PolarHBondContact O-N 2.96Å; N669-R671 PolarHBondContact O-N 3.06Å; N669-R671 WeakPolarHBondContact OD1-CA 3.37Å; N669-R671 PolarHBondContact OD1-N 3.27Å; N669-I672 HydrophobicContact CB-CG2 4.36Å; N669-I672 WeakPolarHBondContact O-CG2 3.45Å
670Q92.4Very high95.3Very high99 Ų9955.5 Ų55.546%0.46329%0.287SS..THydrogen-bonded Turntrans-71.8-10.8179.3-57-173.516.300113.4
671R91.7Very high95.3Very high229 Ų22955.9 Ų55.986%0.86429%0.288SS*.THydrogen-bonded Turntrans-106.343-179.4-58.9-176.2-177.5179.81.5112.1N669N669-R671 PolarHBondContact O-N 3.06Å; N669-R671 WeakPolarHBondContact OD1-CA 3.37Å; N669-R671 PolarHBondContact OD1-N 3.27Å
672I93.6Very high95.3Very high19 Ų1954.3 Ų54.310%0.09728%0.279CS..  trans-66.2139.1170.152.5177.4000111.1A612 Y667 N669 V676 Y697 P699A612-I672 HydrophobicContact CB-CD1 3.82Å; A612-I672 HydrophobicContact CB-CG1 3.88Å; Y667-I672 HydrophobicContact CD1-CD1 4.47Å; Y667-I672 HydrophobicContact CD1-CG2 4.1Å; Y667-I672 HydrophobicContact CE1-CG2 3.66Å; N669-I672 HydrophobicContact CB-CG2 4.36Å; N669-I672 WeakPolarHBondContact O-CG2 3.45Å; I672-V676 HydrophobicContact CB-CG2 4.19Å; I672-V676 HydrophobicContact CD1-CB 4.19Å; I672-V676 HydrophobicContact CD1-CG2 4.09Å; I672-V676 HydrophobicContact CG2-CG2 3.62Å; I672-Y697 WeakPolarHBondContact CD1-O 3.31Å; I672-P699 HydrophobicContact CG1-CG 4.39Å; I672-P699 WeakPolarHBondContact O-CB 3.34Å; I672-P699 WeakPolarHBondContact O-CG 3.28Å
673S92.7Very high95.1Very high119 Ų11954.9 Ų54.983%0.83228%0.283SS*.SBendtrans-91.7-21.1176500000113.2
674S92.9Very high94.7Very high67 Ų6753.1 Ų53.147%0.46928%0.275SS..SBendtrans-128.3160.6176.458.50000110.7V676S674-V676 PolarHBondContact O-N 3.17Å
675P95Very high94.1Very high84 Ų8455.1 Ų55.155%0.54530%0.295SS..  trans-61.3126.5174.3-2334.7000111.8T696 Y697 V698P675-T696 HydrophobicContact CB-CG2 3.71Å; P675-Y697 CarbonylContact C-O 3.6Å; P675-Y697 VanDerWaalsContact CA-O 3.31Å; P675-Y697 WeakPolarHBondContact CA-O 3.42Å; P675-V698 HydrophobicContact CB-CG1 4.32Å
676V95.9Very high93Very high30 Ų3064 Ų6418%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-105.1132.8176.3177.90000110.2Y667 I672 S674 T696 Y697Y667-V676 HydrophobicContact CE1-CB 4.22Å; Y667-V676 HydrophobicContact CE1-CG1 4.17Å; Y667-V676 HydrophobicContact CE1-CG2 4.34Å; Y667-V676 HydrophobicContact CE2-CG1 4.26Å; I672-V676 HydrophobicContact CB-CG2 4.19Å; I672-V676 HydrophobicContact CD1-CB 4.19Å; I672-V676 HydrophobicContact CD1-CG2 4.09Å; I672-V676 HydrophobicContact CG2-CG2 3.62Å; S674-V676 PolarHBondContact O-N 3.17Å; V676-T696 CarbonylContact O-C 3.56Å; V676-T696 WeakPolarHBondContact O-CA 3.44Å; V676-Y697 PolarHBondContact N-O 3.01Å; V676-Y697 PolarHBondContact O-N 3.12Å
677Q95.6Very high91.8Very high99 Ų9972.4 Ų72.446%0.46336%0.356SS..EExtended strand (participates in β ladder)trans-109.8123.7-167-172.5170.891.500110.7R694Q677-R694 VanDerWaalsContact CD-NH1 3.3Å
678V96.8Very high91.3Very high0 Ų075.6 Ų75.60%037%0.37CS..EExtended strand (participates in β ladder)trans-127.1175.4-176.5-53.40000109.8F633 E635 W644 Y667 F695 Y697F633-V678 HydrophobicContact CD1-CG2 4.05Å; E635-V678 HydrophobicContact CB-CG1 4.02Å; E635-V678 HydrophobicContact CG-CG1 4.29Å; W644-V678 HydrophobicContact CE3-CG1 4.28Å; W644-V678 HydrophobicContact CZ3-CG1 4.08Å; Y667-V678 HydrophobicContact CE2-CG1 4.4Å; V678-F695 HydrophobicContact CG2-CB 4.03Å; V678-F695 HydrophobicContact CG2-CD1 4.14Å; V678-F695 PolarHBondContact N-O 3.04Å; V678-F695 PolarHBondContact O-N 3.27Å; V678-Y697 HydrophobicContact CG1-CD2 4.12Å; V678-Y697 HydrophobicContact CG1-CE2 4.33Å; V678-Y697 HydrophobicContact CG2-CD2 4.02Å; V678-Y697 HydrophobicContact CG2-CE2 3.76Å
679N96.5Very high91.1Very high47 Ų4774.8 Ų74.825%0.25137%0.367SS..EExtended strand (participates in β ladder)trans-120.8164.1169.5-54.3-83.6000109.6F633 V634 Y692 Q693F633-N679 CarbonylContact C-O 3.56Å; F633-N679 WeakPolarHBondContact CA-O 3.47Å; V634-N679 PolarHBondContact N-O 2.72Å; V634-N679 PolarHBondContact O-N 3.34Å; N679-Y692 HydrophobicContact CB-CD1 3.78Å; N679-Y692 HydrophobicContact CB-CG 4.35Å; N679-Q693 CarbonylContact C-O 3.58Å; N679-Q693 WeakPolarHBondContact CA-O 3.25Å; N679-Q693 WeakPolarHBondContact CB-O 3.49Å
680F97Very high91Very high0 Ų071.8 Ų71.80%035%0.352CS..EExtended strand (participates in β ladder)trans-137.1158.3165.670.3-88.9000111.2Q605 M618 L620 V631 V632 F633 Y692 Q693 F695Q605-F680 HydrophobicContact CB-CZ 4.32Å; M618-F680 HydrophobicContact CE-CE1 4.32Å; M618-F680 HydrophobicContact CE-CE2 4.41Å; M618-F680 HydrophobicContact CE-CZ 4.13Å; L620-F680 HydrophobicContact CD1-CE2 3.84Å; L620-F680 HydrophobicContact CD2-CE2 3.67Å; L620-F680 HydrophobicContact CD2-CZ 3.67Å; L620-F680 HydrophobicContact CG-CE2 4.43Å; V631-F680 HydrophobicContact CG1-CD2 3.97Å; V632-F680 CarbonylContact O-C 3.58Å; V632-F680 WeakPolarHBondContact O-CA 3.43Å; V632-F680 WeakPolarHBondContact O-CB 3.42Å; F633-F680 HydrophobicContact CB-CB 4.49Å; F633-F680 HydrophobicContact CD1-CB 4.02Å; F633-F680 HydrophobicContact CD2-CB 3.93Å; F633-F680 HydrophobicContact CE1-CB 4.22Å; F633-F680 HydrophobicContact CE1-CD1 4.21Å; F633-F680 HydrophobicContact CE1-CG 4.45Å; F633-F680 HydrophobicContact CE2-CB 4.12Å; F633-F680 HydrophobicContact CE2-CG 4.45Å; F633-F680 HydrophobicContact CG-CB 3.88Å; F633-F680 HydrophobicContact CZ-CB 4.27Å; F633-F680 HydrophobicContact CZ-CD1 4.32Å; F633-F680 HydrophobicContact CZ-CG 4.32Å; F680-Y692 CarbonylContact O-C 3.58Å; F680-Y692 WeakPolarHBondContact O-CA 3.23Å; F680-Q693 HydrophobicContact CD1-CB 3.93Å; F680-Q693 HydrophobicContact CD2-CB 4.13Å; F680-Q693 HydrophobicContact CE1-CB 3.5Å; F680-Q693 HydrophobicContact CE2-CB 3.72Å; F680-Q693 HydrophobicContact CE2-CG 3.98Å; F680-Q693 HydrophobicContact CG-CB 4.23Å; F680-Q693 HydrophobicContact CZ-CB 3.38Å; F680-Q693 HydrophobicContact CZ-CG 3.95Å; F680-Q693 PolarHBondContact N-O 2.93Å; F680-Q693 PolarHBondContact O-N 2.71Å; F680-F695 HydrophobicContact CD1-CB 4.04Å; F680-F695 HydrophobicContact CE1-CB 4.34Å
681Y95.3Very high90.7Very high7 Ų771.2 Ų71.23%0.02735%0.35CS..EExtended strand (participates in β ladder)trans-140.1153.4173.464.6-89.1000110.7V631 V632 V634 E645 C683 R689 S690 Y692V631-Y681 WeakPolarHBondContact CA-O 3.38Å; V632-Y681 HydrophobicContact CB-CD1 4.41Å; V632-Y681 HydrophobicContact CB-CE1 3.86Å; V632-Y681 HydrophobicContact CB-CE2 4.02Å; V632-Y681 HydrophobicContact CG1-CE1 4.01Å; V632-Y681 HydrophobicContact CG2-CE2 4.16Å; V632-Y681 PolarHBondContact N-O 3.38Å; V632-Y681 PolarHBondContact O-N 3.03Å; V634-Y681 HydrophobicContact CG2-CD1 4.37Å; V634-Y681 HydrophobicContact CG2-CE1 3.69Å; E645-Y681 PolarHBondContact OE1-OH 3.44Å; Y681-C683 HydrophobicContact CD2-CB 4.05Å; Y681-C683 HydrophobicContact CE2-CB 3.88Å; Y681-R689 HydrophobicContact CD2-CB 3.95Å; Y681-R689 HydrophobicContact CD2-CG 4.03Å; Y681-R689 HydrophobicContact CE2-CB 4.34Å; Y681-R689 HydrophobicContact CE2-CG 3.89Å; Y681-R689 VanDerWaalsContact CZ-NH1 3.34Å; Y681-R689 PolarHBondContact OH-NH1 3.18Å; Y681-S690 WeakPolarHBondContact CA-OG 3.44Å; Y681-S690 WeakPolarHBondContact CB-OG 3.48Å; Y681-Y692 HydrophobicContact CD1-CD1 4.07Å; Y681-Y692 AromaticContact CD1-CE1 3.67Å; Y681-Y692 HydrophobicContact CD1-CE1 3.67Å; Y681-Y692 HydrophobicContact CE1-CE1 4.21Å
682V95.3Very high90.7Very high0 Ų065.1 Ų65.10%033%0.327CS..EExtended strand (participates in β ladder)trans-91.2142.2168.7-174.90000108.2P600 V602 L620 F625 K630 V631 L660 R689 S690P600-V682 HydrophobicContact CB-CB 3.97Å; P600-V682 HydrophobicContact CB-CG1 3.72Å; P600-V682 HydrophobicContact CG-CB 4.1Å; P600-V682 HydrophobicContact CG-CG1 4.04Å; P600-V682 WeakPolarHBondContact CG-O 3.37Å; V602-V682 HydrophobicContact CG2-CB 4.46Å; V602-V682 HydrophobicContact CG2-CG2 3.48Å; V602-V682 VanDerWaalsContact CG2-CG2 3.48Å; L620-V682 HydrophobicContact CD1-CG2 4.25Å; F625-V682 HydrophobicContact CD1-CG1 4.03Å; F625-V682 HydrophobicContact CE1-CB 4.38Å; F625-V682 HydrophobicContact CE1-CG1 4.17Å; F625-V682 HydrophobicContact CE1-CG2 4.03Å; K630-V682 CarbonylContact O-C 3.54Å; K630-V682 VanDerWaalsContact O-CA 3.29Å; K630-V682 WeakPolarHBondContact O-CA 3.26Å; V631-V682 HydrophobicContact CG2-CG2 4.32Å; L660-V682 HydrophobicContact CD1-CG1 3.88Å; L660-V682 HydrophobicContact CD1-CG2 4.3Å; V682-R689 CarbonylContact O-C 3.57Å; V682-R689 WeakPolarHBondContact O-CA 3.4Å; V682-S690 PolarHBondContact N-OG 3.15Å; V682-S690 PolarHBondContact O-N 3.5Å
683C92.7Very high90.8Very high11 Ų1166.4 Ų66.47%0.07433%0.333CS..EExtended strand (participates in β ladder)trans-136.6136.4173.467.50000114.3S629 K630 Y681 G685 K688 R689S629-C683 WeakPolarHBondContact CA-O 3.18Å; K630-C683 PolarHBondContact N-O 3.17Å; K630-C683 PolarHBondContact O-N 2.73Å; Y681-C683 HydrophobicContact CD2-CB 4.05Å; Y681-C683 HydrophobicContact CE2-CB 3.88Å; C683-G685 PolarHBondContact O-N 2.57Å; C683-K688 CarbonylContact C-O 3.57Å; C683-K688 WeakPolarHBondContact CA-O 3.46Å; C683-K688 WeakPolarHBondContact CB-O 3.33Å; C683-R689 HydrophobicContact CB-CB 4.41Å; C683-R689 HydrophobicContact CB-CG 3.88Å
684N90.1Very high91Very high20 Ų2067.3 Ų67.311%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-100.975.1179.3-66.3-1.7000107.6N624 L626 S629 K688N624-N684 PolarHBondContact O-ND2 3.03Å; L626-N684 HydrophobicContact CD1-CB 4.03Å; S629-N684 PolarHBondContact OG-OD1 3.24Å; N684-K688 HydrophobicContact CB-CB 4.01Å; N684-K688 HydrophobicContact CB-CD 4.49Å; N684-K688 PolarHBondContact N-O 3.32Å
685G83.4Confident91.2Very high41 Ų4164.2 Ų64.242%0.42330%0.296SS..THydrogen-bonded Turntrans71.2-170.2-169.300000113.8C683 R687C683-G685 PolarHBondContact O-N 2.57Å; G685-R687 PolarHBondContact O-N 3.06Å
686K75.9Confident91.3Very high197 Ų19761.6 Ų61.686%0.85728%0.279SS*.THydrogen-bonded Turntrans-60.6-33.7-162-63.7-173.7178.2-176.70115.8
687R71.8Confident91.4Very high241 Ų24160.2 Ų60.291%0.90927%0.27SS*.THydrogen-bonded Turntrans-113.5-15.5-168.3-70.7-167.3-77.5-156.6-1.8116G685G685-R687 PolarHBondContact O-N 3.06Å
688K86.8Confident91.4Very high78 Ų7857.3 Ų57.334%0.33926%0.259SS..EExtended strand (participates in β ladder)trans-100.1107.5179-64.2-176.2-176.3-174.90109E598 L599 C683 N684E598-K688 HydrophobicContact CB-CD 4.48Å; E598-K688 WeakPolarHBondContact OE2-CE 3.24Å; E598-K688 IonicContact OE2-NZ 2.7Å; E598-K688 PolarHBondContact OE2-NZ 3.33Å; L599-K688 HydrophobicContact CD2-CB 3.73Å; L599-K688 HydrophobicContact CD2-CG 4.09Å; C683-K688 CarbonylContact C-O 3.57Å; C683-K688 WeakPolarHBondContact CA-O 3.46Å; C683-K688 WeakPolarHBondContact CB-O 3.33Å; N684-K688 HydrophobicContact CB-CB 4.01Å; N684-K688 HydrophobicContact CB-CD 4.49Å; N684-K688 PolarHBondContact N-O 3.32Å
689R89.5Confident91.3Very high105 Ų10558.4 Ų58.440%0.39627%0.267SS..EExtended strand (participates in β ladder)trans-124.1148.6-178.3-56.8-175.7-179-155.6-1.3110.4Y681 V682 C683Y681-R689 HydrophobicContact CD2-CB 3.95Å; Y681-R689 HydrophobicContact CD2-CG 4.03Å; Y681-R689 HydrophobicContact CE2-CB 4.34Å; Y681-R689 HydrophobicContact CE2-CG 3.89Å; Y681-R689 VanDerWaalsContact CZ-NH1 3.34Å; Y681-R689 PolarHBondContact OH-NH1 3.18Å; V682-R689 CarbonylContact O-C 3.57Å; V682-R689 WeakPolarHBondContact O-CA 3.4Å; C683-R689 HydrophobicContact CB-CB 4.41Å; C683-R689 HydrophobicContact CB-CG 3.88Å
690S90.6Very high90.6Very high14 Ų1458.6 Ų58.610%0.09827%0.274CS..  trans-72175.6170.573.80000111.3P600 Y681 V682P600-S690 WeakPolarHBondContact O-CA 3.32Å; P600-S690 WeakPolarHBondContact O-CB 3.15Å; Y681-S690 WeakPolarHBondContact CA-OG 3.44Å; Y681-S690 WeakPolarHBondContact CB-OG 3.48Å; V682-S690 PolarHBondContact N-OG 3.15Å; V682-S690 PolarHBondContact O-N 3.5Å
691Q86.8Confident89.2Confident87 Ų8765.2 Ų65.241%0.40731%0.31SS..PPolyproline II helixtrans-65158.2160-67.2177.869.100110.3Q693Q691-Q693 PolarHBondContact O-N 3.06Å
692Y91.4Very high87.4Confident102 Ų10270 Ų7040%0.434%0.339SS..PPolyproline II helixtrans-76.4116.2176.4-73.1-86.9000110K636 N679 F680 Y681K636-Y692 PolarHBondContact NZ-OH 2.91Å; N679-Y692 HydrophobicContact CB-CD1 3.78Å; N679-Y692 HydrophobicContact CB-CG 4.35Å; F680-Y692 CarbonylContact O-C 3.58Å; F680-Y692 WeakPolarHBondContact O-CA 3.23Å; Y681-Y692 HydrophobicContact CD1-CD1 4.07Å; Y681-Y692 AromaticContact CD1-CE1 3.67Å; Y681-Y692 HydrophobicContact CD1-CE1 3.67Å; Y681-Y692 HydrophobicContact CE1-CE1 4.21Å
693Q95.5Very high85.2Confident46 Ų4674.6 Ų74.622%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-86.6157.1168.6-60.5-55.6110.200110.2V602 N679 F680 Q691V602-Q693 HydrophobicContact CB-CG 3.71Å; V602-Q693 HydrophobicContact CG1-CG 3.87Å; V602-Q693 HydrophobicContact CG2-CG 4.1Å; N679-Q693 CarbonylContact C-O 3.58Å; N679-Q693 WeakPolarHBondContact CA-O 3.25Å; N679-Q693 WeakPolarHBondContact CB-O 3.49Å; F680-Q693 HydrophobicContact CD1-CB 3.93Å; F680-Q693 HydrophobicContact CD2-CB 4.13Å; F680-Q693 HydrophobicContact CE1-CB 3.5Å; F680-Q693 HydrophobicContact CE2-CB 3.72Å; F680-Q693 HydrophobicContact CE2-CG 3.98Å; F680-Q693 HydrophobicContact CG-CB 4.23Å; F680-Q693 HydrophobicContact CZ-CB 3.38Å; F680-Q693 HydrophobicContact CZ-CG 3.95Å; F680-Q693 PolarHBondContact N-O 2.93Å; F680-Q693 PolarHBondContact O-N 2.71Å; Q691-Q693 PolarHBondContact O-N 3.06Å
694R95.9Very high83.3Confident138 Ų13881.2 Ų81.252%0.52140%0.403SS..EExtended strand (participates in β ladder)trans-101.1142.4-172.3-164.3164.3177.974.4-16.8110.9Q605 Q677Q605-R694 PolarHBondContact NE2-O 3.28Å; Q677-R694 VanDerWaalsContact CD-NH1 3.3Å
695F97.6Very high81.7Confident1 Ų186.9 Ų86.90%0.00443%0.431CS..EExtended strand (participates in β ladder)trans-149.5147.2176.3-170.9-88.2000111V607 E608 M618 F633 I664 V678 F680 Y697V607-F695 HydrophobicContact CB-CE2 4.42Å; V607-F695 HydrophobicContact CG1-CE2 3.99Å; E608-F695 WeakPolarHBondContact O-CA 3.48Å; M618-F695 HydrophobicContact SD-CE2 4.44Å; F633-F695 HydrophobicContact CD1-CD1 4.47Å; F633-F695 HydrophobicContact CE1-CB 4.12Å; F633-F695 AromaticContact CE1-CD1 3.87Å; F633-F695 HydrophobicContact CE1-CD1 3.87Å; F633-F695 HydrophobicContact CE1-CD2 4.18Å; F633-F695 HydrophobicContact CE1-CE1 4.34Å; F633-F695 AromaticContact CE1-CG 3.79Å; F633-F695 HydrophobicContact CE1-CG 3.79Å; I664-F695 HydrophobicContact CD1-CE2 3.89Å; I664-F695 HydrophobicContact CD1-CZ 3.84Å; I664-F695 HydrophobicContact CG1-CE2 4.32Å; I664-F695 HydrophobicContact CG1-CZ 4.26Å; I664-F695 HydrophobicContact CG2-CE1 4.12Å; I664-F695 HydrophobicContact CG2-CZ 3.8Å; V678-F695 HydrophobicContact CG2-CB 4.03Å; V678-F695 HydrophobicContact CG2-CD1 4.14Å; V678-F695 PolarHBondContact N-O 3.04Å; V678-F695 PolarHBondContact O-N 3.27Å; F680-F695 HydrophobicContact CD1-CB 4.04Å; F680-F695 HydrophobicContact CE1-CB 4.34Å; F695-Y697 HydrophobicContact CD1-CD2 4.27Å; F695-Y697 HydrophobicContact CD1-CE1 4.35Å; F695-Y697 HydrophobicContact CD1-CE2 4.06Å; F695-Y697 HydrophobicContact CD1-CG 4.49Å; F695-Y697 AromaticContact CE1-CD1 3.8Å; F695-Y697 HydrophobicContact CE1-CD1 3.8Å; F695-Y697 HydrophobicContact CE1-CD2 4.32Å; F695-Y697 AromaticContact CE1-CE1 3.61Å; F695-Y697 HydrophobicContact CE1-CE1 3.61Å; F695-Y697 HydrophobicContact CE1-CE2 4.14Å; F695-Y697 HydrophobicContact CE1-CG 4.15Å; F695-Y697 AromaticContact CE1-CZ 3.76Å; F695-Y697 HydrophobicContact CZ-CE1 4.46Å
696T97.7Very high79.8Confident30 Ų3093.8 Ų93.818%0.18445%0.45CS..EExtended strand (participates in β ladder)trans-125.6117.9-179.9-50.80000111.6E608 S609 Y610 P675 V676E608-T696 PolarHBondContact O-N 3.06Å; S609-T696 WeakPolarHBondContact CA-O 3.45Å; S609-T696 WeakPolarHBondContact CB-O 3.47Å; Y610-T696 PolarHBondContact N-O 3.41Å; Y610-T696 VanDerWaalsContact N-O 3.15Å; P675-T696 HydrophobicContact CB-CG2 3.71Å; V676-T696 CarbonylContact O-C 3.56Å; V676-T696 WeakPolarHBondContact O-CA 3.44Å
697Y97.6Very high78.6Confident0 Ų090.4 Ų90.40%045%0.446CS..EExtended strand (participates in β ladder)trans-77.1130.1166.8-71.2-71.7000109.8Y610 F633 W644 I664 P665 Y667 I672 P675 V676 V678 F695Y610-Y697 VanDerWaalsContact O-CA 3.31Å; Y610-Y697 WeakPolarHBondContact O-CA 3.29Å; F633-Y697 HydrophobicContact CD1-CE2 4.33Å; F633-Y697 WeakPolarHBondContact CD1-OH 3.37Å; W644-Y697 AromaticContact CH2-CE2 3.74Å; W644-Y697 HydrophobicContact CH2-CE2 3.74Å; W644-Y697 AromaticContact CZ3-CE2 3.79Å; W644-Y697 HydrophobicContact CZ3-CE2 3.79Å; I664-Y697 HydrophobicContact CG2-CE1 3.72Å; P665-Y697 WeakPolarHBondContact O-CE1 3.27Å; P665-Y697 PolarHBondContact O-OH 3.38Å; P665-Y697 VanDerWaalsContact O-OH 3.05Å; Y667-Y697 AromaticContact CD2-CD2 3.73Å; Y667-Y697 HydrophobicContact CD2-CD2 3.73Å; Y667-Y697 HydrophobicContact CD2-CE2 4.03Å; Y667-Y697 HydrophobicContact CD2-CG 4.44Å; Y667-Y697 AromaticContact CG-CD2 3.74Å; Y667-Y697 HydrophobicContact CG-CD2 3.74Å; Y667-Y697 HydrophobicContact CG-CE2 4.25Å; Y667-Y697 AromaticContact CG-CG 3.99Å; Y667-Y697 HydrophobicContact CG-CG 3.99Å; I672-Y697 WeakPolarHBondContact CD1-O 3.31Å; P675-Y697 CarbonylContact C-O 3.6Å; P675-Y697 VanDerWaalsContact CA-O 3.31Å; P675-Y697 WeakPolarHBondContact CA-O 3.42Å; V676-Y697 PolarHBondContact N-O 3.01Å; V676-Y697 PolarHBondContact O-N 3.12Å; V678-Y697 HydrophobicContact CG1-CD2 4.12Å; V678-Y697 HydrophobicContact CG1-CE2 4.33Å; V678-Y697 HydrophobicContact CG2-CD2 4.02Å; V678-Y697 HydrophobicContact CG2-CE2 3.76Å; F695-Y697 HydrophobicContact CD1-CD2 4.27Å; F695-Y697 HydrophobicContact CD1-CE1 4.35Å; F695-Y697 HydrophobicContact CD1-CE2 4.06Å; F695-Y697 HydrophobicContact CD1-CG 4.49Å; F695-Y697 AromaticContact CE1-CD1 3.8Å; F695-Y697 HydrophobicContact CE1-CD1 3.8Å; F695-Y697 HydrophobicContact CE1-CD2 4.32Å; F695-Y697 AromaticContact CE1-CE1 3.61Å; F695-Y697 HydrophobicContact CE1-CE1 3.61Å; F695-Y697 HydrophobicContact CE1-CE2 4.14Å; F695-Y697 HydrophobicContact CE1-CG 4.15Å; F695-Y697 AromaticContact CE1-CZ 3.76Å; F695-Y697 HydrophobicContact CZ-CE1 4.46Å
698V96.3Very high77.4Confident39 Ų3986.5 Ų86.524%0.23644%0.438CS..EExtended strand (participates in β ladder)trans-107.4156.2176.5-62.80000111.3Y610 P611 A612 P675 A700Y610-V698 PolarHBondContact O-N 2.94Å; P611-V698 CarbonylContact C-O 3.51Å; P611-V698 WeakPolarHBondContact CA-O 3.49Å; P611-V698 HydrophobicContact CG-CG2 4.23Å; A612-V698 PolarHBondContact N-O 3.35Å; P675-V698 HydrophobicContact CB-CG1 4.32Å; V698-A700 PolarHBondContact O-N 3.29Å
699P94.1Very high75.5Confident23 Ų2387.9 Ų87.915%0.14946%0.455CS..  trans-53.5134.5169.4-26.435.8000111.1I672 N701I672-P699 HydrophobicContact CG1-CG 4.39Å; I672-P699 WeakPolarHBondContact O-CB 3.34Å; I672-P699 WeakPolarHBondContact O-CG 3.28Å; P699-N701 PolarHBondContact O-N 3.03Å
700A81.8Confident73Confident50 Ų5088.4 Ų88.441%0.41347%0.47SS..SBendtrans-66.1-26.4173.800000112.1P611 T613 V698 V702P611-A700 HydrophobicContact CB-CB 4.3Å; T613-A700 HydrophobicContact CG2-CB 4.32Å; V698-A700 PolarHBondContact O-N 3.29Å; A700-V702 PolarHBondContact O-N 3.13Å
701N66.9Low71Confident140 Ų14095.5 Ų95.575%0.74951%0.507SS*.  trans-96.174.2178.9-66.25.3000110.7P699 P703P699-N701 PolarHBondContact O-N 3.03Å; N701-P703 WeakPolarHBondContact O-CD 3.48Å
702V57Low68.9Low106 Ų10699.7 Ų99.764%0.64253%0.526SS*.  trans-92.691.6143.5-177.60000105.9A700 I704A700-V702 PolarHBondContact O-N 3.13Å; V702-I704 PolarHBondContact O-N 3Å
703P50.7Low66.1Low98 Ų98105.6 Ų105.664%0.63655%0.549SS*.  trans-61.4109.6163.627.5-31.5000106.3N701 I705N701-P703 WeakPolarHBondContact O-CD 3.48Å; P703-I705 PolarHBondContact O-N 3.25Å
704I52.9Low63.4Low150 Ų150110.6 Ų110.677%0.76958%0.577SS**  trans-64.395.6162.2-59174.9000104.4V702 K706V702-I704 PolarHBondContact O-N 3Å; I704-K706 PolarHBondContact O-N 3.42Å
705I55.2Low60.5Low139 Ų139108.6 Ų108.671%0.71359%0.585SS**  trans-55114.7163.7-62175.9000104P703 T707P703-I705 PolarHBondContact O-N 3.25Å; I705-T707 PolarHBondContact O-N 3.16Å
706K44.9Very low57.5Low186 Ų186116.7 Ų116.781%0.80963%0.627SS**  trans-61.998.2165.7-80.6-173.2171-171.30106.2I704 E708I704-K706 PolarHBondContact O-N 3.42Å; K706-E708 PolarHBondContact O-N 3.09Å
707T50.1Low54.3Low126 Ų126118.5 Ų118.577%0.77365%0.652SS**PPolyproline II helixtrans-54.6130.6147.248.70000106.4I705I705-T707 PolarHBondContact O-N 3.16Å
708E46.3Very low51.4Low159 Ų159124.2 Ų124.274%0.74369%0.692SS**PPolyproline II helixtrans-50.5150.7173.4-69.6-76.993.200110.1K706 T710K706-E708 PolarHBondContact O-N 3.09Å; E708-T710 PolarHBondContact O-N 3.45Å
709P47.8Very low48.6Very low107 Ų107128.5 Ų128.570%0.69572%0.718SS**PPolyproline II helixtrans-61125.2173.927.5-33.7000109.7D711P709-D711 PolarHBondContact O-N 3.48Å; P709-D711 VanDerWaalsContact O-N 3.15Å
710T36.9Very low45.7Very low116 Ų116130.8 Ų130.871%0.71275%0.745SS**  trans-70.4107.7174.2-48.20000109.5E708 E712E708-T710 PolarHBondContact O-N 3.45Å; T710-E712 VanDerWaalsContact C-N 3.34Å; T710-E712 HydrophobicContact CG2-CB 4.46Å; T710-E712 HydrophobicContact CG2-CG 4.03Å; T710-E712 PolarHBondContact O-N 2.96Å
711D47.8Very low43.6Very low163 Ų163135.6 Ų135.687%0.87276%0.763SS**  trans-71.285.5170.5-80.6-40.9000110.2P709P709-D711 PolarHBondContact O-N 3.48Å; P709-D711 VanDerWaalsContact O-N 3.15Å
712E41.9Very low41.9Very low175 Ų175133.4 Ų133.482%0.81876%0.759SS**  trans-120.3144.4170.5-84.2-176.3178.600113.1T710T710-E712 VanDerWaalsContact C-N 3.34Å; T710-E712 HydrophobicContact CG2-CB 4.46Å; T710-E712 HydrophobicContact CG2-CG 4.03Å; T710-E712 PolarHBondContact O-N 2.96Å
713Y32.1Very low40.9Very low226 Ų226136.1 Ų136.189%0.88677%0.767SS**  trans-99.4149.4-149.7-179.4-88.3000113.2
714D40.1Very low40.1Very low150 Ų150138.5 Ų138.580%0.80277%0.769SS**  trans-102.5126.8-166-162.9-0.4000113.6
715S35.6Very low39.2Very low96 Ų96135.4 Ų135.467%0.67176%0.761SS**  trans171.6141.9170-84.90000111.3
716L34.6Very low38.2Very low172 Ų172137.9 Ų137.990%0.90177%0.766SS**  cis-163.5143.5-3-172.278.3000110.6
717G29.8Very low38.2Very low68 Ų68134.5 Ų134.570%0.70176%0.764SS**  trans101110.9165.700000115.6
718S36.7Very low37.2Very low120 Ų120139.8 Ų139.884%0.83977%0.771SS**  cis80.6142.129.1-1460000113.8
719V37.4Very low36.7Very low129 Ų129143.2 Ų143.278%0.78278%0.779SS**  cis-132.9160.110.7175.40000107.6L721V719-L721 HydrophobicContact CG1-CD2 4.26Å
720G32.7Very low35.7Very low70 Ų70141.6 Ų141.672%0.72278%0.781SS**  cis-176.1-158.75.600000107.3
721L37.2Very low35.5Very low151 Ų151145.1 Ų145.179%0.79179%0.79SS**  cis-134.8141.9-3.5-58.9168.1000105.9V719V719-L721 HydrophobicContact CG1-CD2 4.26Å
722S32.7Very low35.4Very low95 Ų95143.1 Ų143.166%0.66479%0.785SS**  cis73.7143.938.9-145.50000113.4
723M34.5Very low34.8Very low163 Ų163147 Ų14780%0.80379%0.792SS**  cis-130.5-160.513.8-55.2-102.9-174.100109.7
724H35.5Very low35Very low147 Ų147143.7 Ų143.768%0.68179%0.789SS**  cis-160.3121.11.4-167-124000114
725S32.8Very low34.6Very low86 Ų86142.8 Ų142.860%0.60179%0.789SS**  trans66.3160.5143.981.70000122.7
726K35.3Very low34.3Very low190 Ų190143 Ų14383%0.82679%0.791SS**  cis-161.5158.7-26.8-108.5177.2-177.6177.70109.2
727P43.6Very low34.4Very low116 Ų116142.1 Ų142.175%0.75379%0.786SS**  trans-97.9175.8-178.339.4-36000114.2
728Y28.9Very low34.5Very low236 Ų236146.7 Ų146.793%0.92579%0.791SS**  trans-136.4147.1161.1-114.5-88.7000110.9
729Y35.9Very low35.6Very low232 Ų232146 Ų14691%0.9178%0.783SS**  trans-105.2149.8177.3-123.9-86000110.3
730G28.3Very low35.5Very low72 Ų72146 Ų14674%0.74278%0.783SS**  trans-158.4131.4173.500000111.5
731Q32.6Very low35.4Very low191 Ų191147.6 Ų147.689%0.89379%0.79SS**  trans-82.9157.9-173.9-83.4-174.3-6300113.9
732P44.4Very low35.1Very low120 Ų120149.1 Ų149.178%0.77979%0.793SS**  trans-86.1147.9176.934.8-35.2000113.2
733R30.1Very low36Very low257 Ų257149.2 Ų149.297%0.9779%0.791SS**  trans-158.4166.3150-116.3177-172.6-143.8-0.5112.1
734L36.1Very low35.8Very low157 Ų157148.7 Ų148.782%0.82279%0.792SS**  trans-105.1150.1-166.7-81.9164.3000114.1
735T32Very low36.5Very low130 Ų130146.3 Ų146.380%0.79879%0.789SS**  trans65.3122.4146.250.50000122.7
736S29.7Very low36.4Very low102 Ų102147.5 Ų147.571%0.71380%0.796SS**  104.1112.2129.2-159.80000121.2
737I36.2Very low36.7Very low153 Ų153145.5 Ų145.579%0.78579%0.794SS**  trans30.1126.5133.1-49175.8000119.6
738M32.8Very low36.3Very low163 Ų163146.6 Ų146.680%0.80380%0.798SS**  trans-142.4171.3161.2-91.9-83.193.700107.6
739P59.9Low36.5Very low106 Ų106138.9 Ų138.969%0.68879%0.79SS**  cis-133.8-179.513.941.5-24.5000115.9
740V33.6Very low36.2Very low129 Ų129131 Ų13178%0.78278%0.78SS**  173.9139.9124.31500000111.7
741A32.1Very low36.7Very low103 Ų103138.8 Ų138.885%0.85179%0.788SS**  trans76.5155.516300000121.6
742E30.5Very low38Very low183 Ų183135.1 Ų135.186%0.85578%0.781SS**  trans-120.8-175.1-173.7-115.1-171.6-164.400109.4
743P50.8Low38.7Very low97 Ų97134.5 Ų134.563%0.6378%0.777SS**  cis-136.5173.2-28.237.1-19.9000115
744D30.6Very low39Very low153 Ų153127.8 Ų127.882%0.81877%0.768SS**  trans58.8169.3147.7-94.86.8000122.3
745P50.9Low40.2Very low96 Ų96126 Ų12662%0.62377%0.766SS**  cis-138.5-175.8-43.939.2-22000115
746C30.7Very low41.6Very low112 Ų112124.9 Ų124.976%0.75776%0.761SS**  trans71.8156.7155.7-65.10000120
747L40.7Very low41.8Very low147 Ų147131 Ų13177%0.7777%0.768SS**  cis-168.5158.2-17.5-109.6173.3000111.7
748V35.1Very low41.9Very low140 Ų140131.4 Ų131.485%0.84877%0.767SS**  trans65.7148.6161.5175.10000117.2
749G34.1Very low42Very low74 Ų74128.2 Ų128.276%0.76377%0.766SS**  cis149.6158.1-3.800000110.7
750G29.3Very low40.8Very low66 Ų66127.4 Ų127.468%0.6877%0.768SS**  cis174.4176.8-7.100000113.8
751Y38.9Very low40.8Very low235 Ų235129.6 Ų129.692%0.92277%0.772SS**  trans76.6148.3159.2-61.5-76.8000124.4
752P59.8Low41.9Very low115 Ų115130 Ų13075%0.74777%0.766SS**  trans-127.5-138.7-170.737.7-12.4000112.2
753P59.3Low42.9Very low107 Ų107126.4 Ų126.470%0.69576%0.759SS**  cis-143.9-164.6-16.140.8-18.3000117.8
754C35.2Very low42.2Very low115 Ų115126.7 Ų126.778%0.77776%0.763SS**  trans90.3168.7142.9-77.90000122.2
755P62.8Low42.5Very low119 Ų119125 Ų12577%0.77376%0.763SS**  -132.5-115.5-99.629.40.4000120.5
756P61.6Low42.4Very low107 Ų107126 Ų12670%0.69577%0.77SS**  -132.2179-116.343.2-25.2000119.1
757R33.3Very low42.7Very low232 Ų232126.1 Ų126.188%0.87577%0.772SS**  trans171.4174.4136.3-96.3-180165.8157.40.1120
758H38Very low42.4Very low161 Ų161124.4 Ų124.475%0.74577%0.772SS**  trans-62148-159.9-52.4-88.5000125.3
759A34.2Very low42.6Very low95 Ų95123.2 Ų123.279%0.78577%0.77SS**  55.3125.2124.500000127.8
760A34.9Very low43.4Very low90 Ų90125 Ų12574%0.74477%0.768SS**  trans82.1105.3130.900000125.9
761M34.3Very low43.7Very low175 Ų175127.7 Ų127.786%0.86277%0.771SS**  trans60.4162.4141.8-57.3-58.3-76.300121.4
762P54.8Low43.7Very low112 Ų112123.1 Ų123.173%0.72776%0.762SS**  cis-121.8-131.3-11.226.9-0.8000113.6
763P50.8Low42.6Very low107 Ų107125.1 Ų125.170%0.69576%0.761SS**  -126.5159.6-95.140.5-25.2000120.1
764S36.8Very low41.3Very low102 Ų102125.5 Ų125.571%0.71376%0.757SS**  trans59.6132.2144.464.20000125.8
765S36.3Very low41.4Very low117 Ų117127.9 Ų127.982%0.81876%0.761SS**  trans75.7164.5151-58.20000119
766P50.6Low40Very low119 Ų119126.1 Ų126.177%0.77375%0.752SS**  cis-140.3170.26.844-26000119.8
767S36.7Very low39.2Very low114 Ų114126.7 Ų126.780%0.79776%0.756SS**  trans48.5134138-162.40000126.1
768S34.1Very low39.2Very low110 Ų110120.9 Ų120.977%0.76975%0.745SS**  174.2158.7117.2450000115
769S38.2Very low39Very low115 Ų115117.5 Ų117.580%0.80475%0.745SS**  trans-160.6164.7-175.7-52.90000115.4
770P51.3Low39Very low111 Ų111122.5 Ų122.572%0.72175%0.745SS**  trans-106.3168.4139.2-9.930.4000112.2
771T36.7Very low38.9Very low123 Ų123123.3 Ų123.376%0.75574%0.737SS**  cis81.1150.27.675.50000117.4
772L37.6Very low38.8Very low139 Ų139123.2 Ų123.273%0.72873%0.732SS**  cis-128.5-96.321.1-79.8166.9000116.2
773H36.3Very low37.4Very low157 Ų157123.8 Ų123.873%0.72774%0.737SS**  trans-155.6162.2-140.5-84-50.1000113.5
774D32.7Very low36.5Very low116 Ų116126.4 Ų126.462%0.6274%0.744SS**  cis-147.3-140.2-18.5-142.258.4000109
775L37.8Very low37.5Very low165 Ų165126.3 Ų126.386%0.86474%0.742SS**  cis-142.5-178.814.1-90.4175.3000111.2
776S32.9Very low36.9Very low82 Ų82128 Ų12857%0.57374%0.741SS**  trans-147.4-165.7-171.564.40000114V778S776-V778 WeakPolarHBondContact OG-CG2 3.37Å
777P43.9Very low35.9Very low119 Ų119127.8 Ų127.877%0.77374%0.743SS**  cis-107170.348.640.9-38.3000114.3
778V35.2Very low36.8Very low109 Ų109127.9 Ų127.966%0.66174%0.741SS**  cis90.7128.117.5179.60000116S776 Y780S776-V778 WeakPolarHBondContact OG-CG2 3.37Å; V778-Y780 HydrophobicContact CG1-CE2 4.38Å
779A33.8Very low36.6Very low90 Ų90128.6 Ų128.674%0.74474%0.741SS**  trans-153.5-179.2-177.200000113.5
780Y33.8Very low36.3Very low200 Ų200131.3 Ų131.378%0.78474%0.74SS**  trans-154.4174.9-163.3-82-75.4000111.5V778V778-Y780 HydrophobicContact CG1-CE2 4.38Å
781N32.4Very low35.3Very low107 Ų107130.4 Ų130.457%0.57274%0.742SS**  cis-163.4144.512.1-129.9-27.7000112.9
782K33Very low35.2Very low173 Ų173128.9 Ų128.975%0.75274%0.742SS**  trans63.3168.5141.5-75.8164-172.6-179.30121.9
783C25.2Very low36.3Very low124 Ų124128 Ų12884%0.83874%0.744SS**  cis-170.4173.3-41.7-102.60000111.8
784L30.9Very low36.8Very low162 Ų162126.4 Ų126.485%0.84875%0.749SS**  trans-70.5-176.7167.3-77.5170.6000113
785P58.5Low36.7Very low101 Ų101124 Ų12466%0.65675%0.751SS**  cis-143.3170.210.742.9-24000119.5
786N24.1Very low36.3Very low152 Ų152122.4 Ų122.481%0.81375%0.748SS**  trans149.9170.8133.5-81.3-8.1000115.5
787S28.8Very low36.2Very low115 Ų115126.5 Ų126.580%0.80476%0.762SS**  trans-109.6-149.7-165.6-44.90000113
788P55.1Low35.6Very low115 Ų115125 Ų12575%0.74776%0.759SS**  -129.2171.3-75.835.1-18.7000114.9
789T30.8Very low36.7Very low126 Ų126125.1 Ų125.177%0.77376%0.763SS**  trans-169.3144.9143.322.80000114.3
790H32.5Very low37.4Very low171 Ų171126.2 Ų126.279%0.79276%0.762SS**  trans27134.9160-58.1-74.1000122.1
791A30.2Very low37.4Very low92 Ų92123.7 Ų123.776%0.7676%0.761SS**  cis76.9136.935.900000114.4
792A34.8Very low37.2Very low92 Ų92125.9 Ų125.976%0.7677%0.767SS**  cis-156.6169.14.500000113.2
793P59.1Low37Very low119 Ų119125.4 Ų125.477%0.77377%0.768SS**  trans-91.6-164.5172.842.6-38.5000111.4
794P48.3Very low37.2Very low125 Ų125125.6 Ų125.681%0.81277%0.766SS**  cis-143.7-176.25.445.5-26.7000118.3
795G29.8Very low38Very low66 Ų66123 Ų12368%0.6876%0.758SS**  trans107.3167.5139.500000119.4
796T29.7Very low36.5Very low130 Ų130124.2 Ų124.280%0.79877%0.768SS**  cis-164.6165.8-17.3-28.70000110.8
797I31Very low36.9Very low168 Ų168122.8 Ų122.886%0.86277%0.768SS**  trans79.4157.4162.1-59.8172.3000116.9
798A30.9Very low37.8Very low87 Ų87122.7 Ų122.772%0.71977%0.765SS**  trans-125.9-137.2-168.600000114.6
799P59.3Low36.4Very low112 Ų112122.9 Ų122.973%0.72777%0.769SS**  trans-99.2177.7-133.544.8-35.7000115.3
800P47.6Very low36.5Very low113 Ų113124.2 Ų124.273%0.73477%0.771SS**  -132.7156.787.59.115.3000114.3
801I34.3Very low37.2Very low148 Ų148122 Ų12276%0.75977%0.772SS**  61.2122.479.6-44.3165.4000114.9
802Q27.8Very low37.2Very low152 Ų152125.8 Ų125.871%0.7177%0.773SS**  153.7126.2116.3-155.2143.46.300116.7
803E27.6Very low37.9Very low164 Ų164126.3 Ų126.377%0.76677%0.769SS**  trans61.7143.4144.9-77.3159.3-147.400128.7
804T30.5Very low36.4Very low128 Ų128127 Ų12779%0.78577%0.771SS**  trans-78.2-166.1158.816.60000112.1
805P47.8Very low35.7Very low106 Ų106125.5 Ų125.569%0.68876%0.763SS**  cis-135.5-179.2-14.529.8-7.1000116.5
806C27.5Very low36.7Very low128 Ų128128.2 Ų128.287%0.86577%0.769SS**  trans72.1152.9142.9-860000124.4
807C31.9Very low36.9Very low121 Ų121127.9 Ų127.982%0.81876%0.762SS**  trans-89.3174.4173.7-45.50000112.1
808P46.6Very low37.1Very low114 Ų114127.8 Ų127.874%0.7476%0.758SS**  -157.1173.299.439.6-20.7000119
809S26.6Very low37.1Very low118 Ų118130.4 Ų130.483%0.82576%0.76SS**  trans80.5146.6143.354.40000124.2
810L33.2Very low35.9Very low155 Ų155130.4 Ų130.481%0.81276%0.762SS**  trans-86.7173.4176.5-12378.5000111.4
811P46.5Very low35.2Very low125 Ų125129.7 Ų129.781%0.81276%0.76SS**  -150.2-174.957.440.8-18.1000118.8
812H30Very low35.4Very low170 Ų170130.7 Ų130.779%0.78777%0.766SS**  trans-73.9176.7176-116.622.2000113.3
813P50.9Low35.6Very low104 Ų104127.6 Ų127.668%0.67577%0.767SS**  cis-154.3178.942.641.7-18.8000121.2
814T27.1Very low36Very low132 Ų132125.6 Ų125.681%0.8177%0.765SS**  trans75.6143.3148.337.30000123.8
815S33.3Very low36Very low94 Ų94126.7 Ų126.766%0.65777%0.766SS**  trans-106-178.817356.60000112.3
816P50.9Low35.2Very low123 Ų123129.4 Ų129.480%0.79977%0.769SS**  -148.2-164.889.739.3-19.3000115.7
817D34.3Very low35.4Very low123 Ų123127.8 Ų127.866%0.65876%0.759SS**  trans-115.9175.1-153.2-50.3-96.9000117.3
818H33.8Very low35.3Very low167 Ų167131.2 Ų131.277%0.77376%0.763SS**  148.9115.6124.3-71.7-53000119.6
819N31Very low34.3Very low141 Ų141129.3 Ų129.375%0.75476%0.764SS**  trans51.9138.7132.7-66.8-3.7000128.4
820S34.8Very low34.6Very low112 Ų112129.3 Ų129.378%0.78376%0.764SS**  trans73.5152.3137.756.70000122.6
821S33.8Very low35.4Very low99 Ų99127.9 Ų127.969%0.69276%0.764SS**  cis-172.3162.7-16.453.10000115.4
822L36.8Very low34.5Very low169 Ų169125.5 Ų125.589%0.88576%0.763SS**  trans71.9143.5145-85.6166.7000127.5
823A32.7Very low34.6Very low87 Ų87122.6 Ų122.672%0.71976%0.761SS**  trans110.7101.6134.300000125.7
824V35.5Very low33.6Very low121 Ų121125.5 Ų125.573%0.73377%0.77SS**  41.9138.2120.8-176.80000125.3
825L30.8Very low33.7Very low151 Ų151122 Ų12279%0.79176%0.761SS**  trans169130.8132.3-86.5166.4000110.3
826H31.5Very low33.6Very low163 Ų163127.7 Ų127.776%0.75577%0.769SS**  72.514571.8-76.7-157.3000116.6
827S31.8Very low32.6Very low95 Ų95129.1 Ų129.166%0.66477%0.765SS**  cis-176.9-178.3-15.756.40000112.6
828Q29.4Very low32.4Very low192 Ų192130.5 Ų130.590%0.89777%0.767SS**  trans85.3146.1158.3-65.8-70.30.900124.1
829G26.1Very low32.4Very low75 Ų75127 Ų12777%0.77376%0.761SS**  trans136.5104.5149.500000121.2
830S33.6Very low32.4Very low118 Ų118126 Ų12683%0.82576%0.761SS**  trans-171.1146.9162.5-163.70000110.5
831P48.6Very low32.3Very low125 Ų125130.9 Ų130.981%0.81276%0.763SS**  -165.117094.742.7-21.5000120.5
832G28.5Very low32.2Very low75 Ų75129.6 Ų129.677%0.77376%0.759SS**  trans89.6161.1145.800000120.7
833S32.4Very low31.7Very low108 Ų108129.2 Ų129.276%0.75576%0.757SS**  cis-171.2156.4-16.4-160.60000113.5
834L29.1Very low31.8Very low165 Ų165130.2 Ų130.286%0.86476%0.759SS**  trans64.9147.8165.4-64.4152000119.7
835G29.3Very low31.5Very low60 Ų60129.9 Ų129.962%0.61976%0.762SS**  cis170.4145.6-12.500000115.4
836Y30.3Very low31.5Very low212 Ų212127.9 Ų127.983%0.83176%0.761SS**  trans65.3120.6170.6-57.1-81.9000118.8
837H30.1Very low31.4Very low154 Ų154125.1 Ų125.171%0.71376%0.76SS**  81.6136.758.4-79.1-116.5000114.6
838H30.4Very low31.3Very low151 Ų151126.3 Ų126.370%0.69977%0.768SS**  cis-155.5141.422.6-126.8-58.8000114.9
839S33.2Very low31.4Very low93 Ų93122.6 Ų122.665%0.6576%0.764SS**  trans55.9155.9153.4-47.80000118.9
840V32.1Very low32.4Very low122 Ų122124.6 Ų124.674%0.73976%0.763SS**  cis-154.4149.625.5167.80000105.4
841Y31.6Very low32.3Very low213 Ų213125.3 Ų125.384%0.83576%0.762SS**  cis-170.7176-11.5-101.61.9000105.4
842A32Very low31.4Very low73 Ų73123.5 Ų123.560%0.60375%0.753SS**  cis-176.3168.6-29.100000107.1
843N26.8Very low31.5Very low160 Ų160127.3 Ų127.386%0.85675%0.75SS**  cis-142.1161.97.1-151.92.6000112.6
844S34.1Very low32Very low108 Ų108127.2 Ų127.276%0.75575%0.746SS**  trans-122.9-178.7-150.5-48.20000115.1
845S30.1Very low31.9Very low114 Ų114124.7 Ų124.780%0.79774%0.743SS**  trans-107.9173.9173.8-49.10000113
846S30.2Very low31.8Very low110 Ų110125.9 Ų125.977%0.76974%0.738SS**  trans93.9120.3150.874.10000122.8
847S29.2Very low32.2Very low104 Ų104121.5 Ų121.573%0.72774%0.736SS**  69.3135.7128.9620000126.6
848S30.2Very low32.1Very low120 Ų120118 Ų11884%0.83974%0.742SS**  trans105.4155.4136.874.50000122
849S32.1Very low31.8Very low114 Ų114114.3 Ų114.380%0.79774%0.744SS**  trans-112.8-177.6-173.8-38.40000111
850P46.9Very low31.9Very low118 Ų118116 Ų11677%0.76675%0.753SS**  -162.8-178.763.144.4-21.2000119.8
851V30.5Very low31.6Very low133 Ų133114.4 Ų114.481%0.80675%0.752SS**  trans48.1154.8141.2163.40000123.7
852S30.3Very low31.3Very low87 Ų87113.1 Ų113.161%0.60875%0.754SS**  cis165.6136.5-48.3-84.50000114.3
853H30.7Very low30.9Very low155 Ų155115.6 Ų115.672%0.71876%0.762SS**  trans67.7170.2165.4-56.1-55.7000118.3
854P43.2Very low31.7Very low105 Ų105112.2 Ų112.268%0.68275%0.748SS**  cis-142.2-176.76.646.2-27.9000119.3
855S27.2Very low31.3Very low112 Ų112115 Ų11578%0.78375%0.747SS**  trans84.1142.2146.8-61.70000124.8
856T26.7Very low31.1Very low86 Ų86117.2 Ų117.253%0.52874%0.743SS.*  trans-93-169.1172.849.70000111.6
857P39.7Very low30.9Very low120 Ų120119.2 Ų119.278%0.77974%0.74SS**  cis-141.9-179.23.245.3-27.1000118.2
858G27.8Very low30.7Very low81 Ų81117.7 Ų117.784%0.83573%0.734SS**  trans144.2136.7146.400000119
859G23.5Very low30.4Very low73 Ų73122.6 Ų122.675%0.75374%0.735SS**  trans-126.9169.3164.800000111
860P34.4Very low30.1Very low129 Ų129122.4 Ų122.484%0.83873%0.734SS**  -159.3179.489.942.9-23.8000117.8
861A26.8Very low29.9Very low87 Ų87122.2 Ų122.272%0.71973%0.733SS**  trans65.6154.1146.400000120.7
862E24.9Very low30Very low186 Ų186120.9 Ų120.987%0.86973%0.729SS**  cis-156.7-162.7-20.9-117.3-176.116800111.4
863T23Very low30.2Very low126 Ų126124.5 Ų124.577%0.77374%0.737SS**  trans-104.4-153.2-170.863.40000112.2
864P45.2Very low30.1Very low88 Ų88121.7 Ų121.757%0.57174%0.741SS**  cis-140.3-171.3-14.625.61.5000116.7
865F25.8Very low29.6Very low168 Ų168124.8 Ų124.874%0.73775%0.746SS**  trans70.4153.4162-59.8-57.6000118.6
866F25.9Very low29.7Very low160 Ų160124.5 Ų124.570%0.70275%0.75SS**  cis-162.3-173.5-5.2-110.7-33.3000107.1
867Q24.8Very low30.1Very low151 Ų151126.5 Ų126.571%0.70677%0.768SS**  cis-168.4177-4.1-109.9171.443.900105.6
868A24.4Very low29.6Very low73 Ų73123.9 Ų123.960%0.60376%0.763SS**  cis-175.1-173.6-31.700000110.4
869Y24.4Very low29.7Very low222 Ų222126.5 Ų126.587%0.87177%0.768SS**  trans82.7145.8169.2-70.6-79.1000121.8
870S26.1Very low30.1Very low110 Ų110128.8 Ų128.877%0.76977%0.773SS**  trans-130.6-179.1179.3-46.40000109.7
871P43.7Very low29.8Very low114 Ų114127.5 Ų127.574%0.7477%0.773SS**  -161162.492.343.9-24.4000119.6
872S30.7Very low30Very low105 Ų105132.8 Ų132.873%0.73478%0.783SS**  trans41.9158.3137.667.60000125.6
873Q36.3Very low30.2Very low164 Ų164129 Ų12977%0.76678%0.783SS**  cis175.9144.3-26.4179.1173.71.800109.7
874A28.6Very low30.5Very low96 Ų96128.2 Ų128.279%0.79379%0.789SS**  trans161.7156148.200000110.4
875E32.9Very low29.6Very low170 Ų170127.8 Ų127.879%0.79480%0.801SS**  cis172.1129.7-43.4-108.1-150.3155.900106.4
876A28.6Very low29.8Very low106 Ų106125.3 Ų125.388%0.87681%0.805SS**  trans179.1145147.100000112.4
877S33.8Very low31.3Very low128 Ų128123.6 Ų123.690%0.89581%0.809SS**  trans-97.2168.6-178.4-51.10000112.1
878G29.9Very low32.3Very low65 Ų65121.7 Ų121.767%0.6781%0.81SS**  cis156.3-157.5000000111.6
879S29.9Very low32.5Very low136 Ų136123.2 Ų123.295%0.95182%0.816SS**  trans87.1159.3169.9-50.20000118.8
880S31.6Very low32.8Very low121 Ų121119.6 Ų119.685%0.84681%0.811SS**  trans-135.6161.6-160.5580000114
881A29.4Very low33Very low102 Ų102122.2 Ų122.284%0.84382%0.816SS**  trans-156143.315600000112
882Q31.1Very low32.4Very low198 Ų198121.2 Ų121.293%0.92582%0.817SS**  trans-105147.6161.1-65.7177-800108.7
883A27.8Very low32.3Very low106 Ų106125.3 Ų125.388%0.87682%0.824SS**  trans-155.6146.7158.500000110.2
884A28.9Very low32.2Very low109 Ų109125.3 Ų125.390%0.90183%0.83SS**  trans-104.6154.2176.300000111.1
885G26.8Very low32.4Very low79 Ų79125.1 Ų125.181%0.81483%0.828SS**  trans-159.1115.3174.200000111.1
886S30.5Very low32.4Very low117 Ų117123.3 Ų123.382%0.81883%0.829SS**  trans-102.7163.5173.4-68.90000109.9
887P57Low32.9Very low123 Ų123124 Ų12480%0.79982%0.824SS**  trans-83.7178.8-159.835.7-38.4000113.7
888P45Very low33Very low111 Ų111123.2 Ų123.272%0.72182%0.816SS**  -136.8150.6122.339.3-29.6000114.7
889S29Very low33.3Very low105 Ų105126 Ų12673%0.73483%0.825SS**  40.7150.3122.8-49.80000122
890L30.7Very low33.4Very low147 Ų147127.7 Ų127.777%0.7782%0.82SS**  cis-171.1165.7-6.6-112.6172.3000109.5
891L30.6Very low33.3Very low164 Ų164129 Ų12986%0.85982%0.818SS**  trans74.2168.9159.6-69.3167.6000119.8
892A30.9Very low33.6Very low93 Ų93132 Ų13277%0.76982%0.818SS**  trans-71.8170.3-166.200000113.9
893E29.5Very low33.7Very low191 Ų191128.9 Ų128.989%0.89381%0.813SS**  -155.3-170.872.1-155.8157.590.100113.2
894D33.5Very low34.2Very low165 Ų165131 Ų13188%0.88281%0.808SS**  trans-59.9139.9-179-97.2-53.5000114.6
895A32.4Very low34.2Very low91 Ų91135.3 Ų135.375%0.75281%0.806SS**  trans-155.1119.7161.600000112.2
896T34.3Very low34.5Very low132 Ų132140.3 Ų140.381%0.8181%0.808SS**PPolyproline II helixtrans-64.4130.516649.10000110.5
897P37.5Very low34.9Very low121 Ų121142.9 Ų142.979%0.78681%0.808SS**PPolyproline II helixtrans-73128.8-176.428.1-34.1000112.1
898P35.8Very low34Very low112 Ų112143 Ų14373%0.72781%0.808SS**PPolyproline II helixtrans-73.2155.316831.8-34.3000111.2
899S37.9Very low34.1Very low122 Ų122146.9 Ų146.985%0.85382%0.817SS**PPolyproline II helixtrans-68.9132.1177.9530000112.6
900M30.5Very low35.1Very low172 Ų172151.2 Ų151.285%0.84783%0.825SS**  trans-134.2120.2166.7-79.6-172.1164.800112.6
901D31.2Very low36Very low149 Ų149150.8 Ų150.880%0.79782%0.823SS**  trans28.1122146.3-55.6-26.3000121.4T903D901-T903 PolarHBondContact O-N 3.45Å
902I34Very low37.3Very low164 Ų164148.1 Ų148.184%0.84181%0.81SS**  trans-80.9106.2165-60.7170.9000108.9I904I902-I904 HydrophobicContact CG2-CG1 4.49Å; I902-I904 PolarHBondContact O-N 3.33Å
903T33.3Very low38.3Very low134 Ų134149.4 Ų149.482%0.82280%0.8SS**  trans-70.998.7172.4-40.90000110.8D901 K905D901-T903 PolarHBondContact O-N 3.45Å; T903-K905 PolarHBondContact O-N 3.49Å
904I38.2Very low39.2Very low149 Ų149146.4 Ų146.476%0.76479%0.788SS**  trans-69.7117.1170.3-61.2178.3000108.3I902 Q906I902-I904 HydrophobicContact CG2-CG1 4.49Å; I902-I904 PolarHBondContact O-N 3.33Å; I904-Q906 PolarHBondContact O-N 3.45Å
905K29.8Very low40.1Very low200 Ų200146.3 Ų146.387%0.8778%0.776SS**  trans-74.9106177.9-168177.3-176.2-178.20109.6T903T903-K905 PolarHBondContact O-N 3.49Å
906Q33.9Very low41.5Very low184 Ų184145.6 Ų145.686%0.8676%0.759SS**  trans-64.1135.5178.9-164.3169.310.100110.9I904I904-Q906 PolarHBondContact O-N 3.45Å
907E37.9Very low42.6Very low172 Ų172143.8 Ų143.880%0.80474%0.744SS**  trans-86.2144.1-179.8-168163.7-138.100110.5Q909E907-Q909 PolarHBondContact O-N 2.93Å
908P39Very low43.9Very low126 Ų126142.5 Ų142.582%0.81873%0.731SS**  trans-70.4103.7-179.2-16.731.6000111.4E910P908-E910 PolarHBondContact O-N 3.5Å
909Q46.2Very low45.5Very low192 Ų192140.2 Ų140.290%0.89772%0.715SS**  trans-89.882-180-172.2172.50.300111.7E907E907-Q909 PolarHBondContact O-N 2.93Å
910E49.1Very low46.9Very low195 Ų195138.3 Ų138.391%0.91170%0.695SS**  trans-150.691.1161.7-114.5165.3-141.200108.5P908P908-E910 PolarHBondContact O-N 3.5Å
911L50.1Low48.7Very low139 Ų139134.8 Ų134.873%0.72868%0.677SS**  trans-106.3120.7170.4-160.179000107.2Q913L911-Q913 PolarHBondContact O-N 3.07Å
912D58.5Low50.7Low108 Ų108132.8 Ų132.858%0.57867%0.665SS**  trans-62.5131.4-168.3-169.95.7000112.1M914 Y915D912-M914 PolarHBondContact O-N 3.45Å; D912-M914 VanDerWaalsContact O-N 3.16Å; D912-Y915 WeakPolarHBondContact O-CB 3.47Å; D912-Y915 PolarHBondContact O-N 3.29Å
913Q52.1Low52.6Low119 Ų119129 Ų12956%0.55665%0.646SS**THydrogen-bonded Turntrans-60.7-30.5-170.9-174.860.663.400112L911 Y915 L916L911-Q913 PolarHBondContact O-N 3.07Å; Q913-Y915 PolarHBondContact O-N 3.36Å; Q913-L916 PolarHBondContact O-N 2.97Å; Q913-L916 VanDerWaalsContact O-N 3.13Å
914M48.8Very low54.2Low129 Ų129129.1 Ų129.164%0.63563%0.631SS**Hα-helixtrans-54.9-35.3174.7-174.4169.959.600112.8D912 L916 D917D912-M914 PolarHBondContact O-N 3.45Å; D912-M914 VanDerWaalsContact O-N 3.16Å; M914-L916 VanDerWaalsContact C-N 3.29Å; M914-L916 PolarHBondContact O-N 2.75Å; M914-D917 PolarHBondContact O-N 3.18Å
915Y52.3Low55.4Low162 Ų162126.7 Ų126.764%0.63562%0.619SS**Hα-helixtrans-74.9-17.8-177.6-150.5-97.8000113.5D912 Q913 V919D912-Y915 WeakPolarHBondContact O-CB 3.47Å; D912-Y915 PolarHBondContact O-N 3.29Å; Q913-Y915 PolarHBondContact O-N 3.36Å; Y915-V919 WeakPolarHBondContact O-CG2 3.43Å
916L60.9Low57Low77 Ų77122.2 Ų122.240%0.40361%0.605SS.*Hα-helixtrans-84.5-30.6177-67.5173.3000112.2Q913 M914 N920Q913-L916 PolarHBondContact O-N 2.97Å; Q913-L916 VanDerWaalsContact O-N 3.13Å; M914-L916 VanDerWaalsContact C-N 3.29Å; M914-L916 PolarHBondContact O-N 2.75Å; L916-N920 WeakPolarHBondContact O-CB 3.34Å; L916-N920 PolarHBondContact O-N 3.1Å; L916-N920 VanDerWaalsContact O-N 3.08Å; L916-N920 PolarHBondContact O-ND2 3.38Å
917D57Low58.4Low93 Ų93119.4 Ų119.450%0.49760%0.595SS.*Hα-helixtrans-75.2-38.5-179.7-71.5-28.9000112.1M914 V919 N920 E921M914-D917 PolarHBondContact O-N 3.18Å; D917-V919 PolarHBondContact O-N 3.35Å; D917-N920 CarbonylContact O-C 3.54Å; D917-N920 PolarHBondContact O-N 3.21Å; D917-E921 PolarHBondContact O-N 2.96Å
918D65.8Low59.1Low94 Ų94114.6 Ų114.650%0.50358%0.581SS.*Hα-helixtrans-56-48.7170.6-78.6-1.7000111.7N920 E921 I922D918-N920 VanDerWaalsContact C-N 3.32Å; D918-N920 PolarHBondContact O-N 3.06Å; D918-E921 PolarHBondContact O-N 3.44Å; D918-E921 VanDerWaalsContact O-N 3.11Å; D918-I922 WeakPolarHBondContact O-CG1 3.4Å; D918-I922 PolarHBondContact O-N 3.44Å
919V68.9Low59.7Low65 Ų65112.7 Ų112.739%0.39457%0.57SS.*Hα-helixtrans-62.4-40.5177.8171.90000111Y915 D917 E921 I922 I923Y915-V919 WeakPolarHBondContact O-CG2 3.43Å; D917-V919 PolarHBondContact O-N 3.35Å; V919-E921 VanDerWaalsContact C-N 3.3Å; V919-E921 PolarHBondContact O-N 2.97Å; V919-I922 PolarHBondContact O-N 2.88Å; V919-I923 HydrophobicContact CG1-CD1 3.91Å; V919-I923 WeakPolarHBondContact O-CD1 3.37Å; V919-I923 VanDerWaalsContact O-CG1 3.28Å; V919-I923 WeakPolarHBondContact O-CG1 3.48Å; V919-I923 PolarHBondContact O-N 3.2Å; V919-I923 VanDerWaalsContact O-N 3.1Å
920N66.5Low60Low82 Ų82110 Ų11044%0.43956%0.56SS.*Hα-helixtrans-69.6-23175.5-77.9-46.6000113.4L916 D917 D918 R924L916-N920 WeakPolarHBondContact O-CB 3.34Å; L916-N920 PolarHBondContact O-N 3.1Å; L916-N920 VanDerWaalsContact O-N 3.08Å; L916-N920 PolarHBondContact O-ND2 3.38Å; D917-N920 CarbonylContact O-C 3.54Å; D917-N920 PolarHBondContact O-N 3.21Å; D918-N920 VanDerWaalsContact C-N 3.32Å; D918-N920 PolarHBondContact O-N 3.06Å; N920-R924 WeakPolarHBondContact O-CG 3.44Å; N920-R924 PolarHBondContact O-N 3.47Å; N920-R924 PolarHBondContact O-NE 3.49Å
921E69.4Low60Low98 Ų98105.2 Ų105.246%0.45855%0.549SS..Hα-helixtrans-79.2-43.7172-171.4145.6-94.100112.5D917 D918 V919 I923 R924 N925D917-E921 PolarHBondContact O-N 2.96Å; D918-E921 PolarHBondContact O-N 3.44Å; D918-E921 VanDerWaalsContact O-N 3.11Å; V919-E921 VanDerWaalsContact C-N 3.3Å; V919-E921 PolarHBondContact O-N 2.97Å; E921-I923 VanDerWaalsContact C-N 3.29Å; E921-I923 PolarHBondContact O-N 3.08Å; E921-R924 VanDerWaalsContact CA-NH2 3.26Å; E921-R924 WeakPolarHBondContact O-CB 3.27Å; E921-R924 PolarHBondContact O-N 2.93Å; E921-R924 IonicContact OE1-CZ 3.85Å; E921-R924 IonicContact OE1-NH1 3.27Å; E921-R924 PolarHBondContact OE1-NH1 3.43Å; E921-R924 IonicContact OE1-NH2 3.65Å; E921-N925 PolarHBondContact O-N 3.11Å
922I73.8Confident60.1Low107 Ų107103.9 Ų103.955%0.54955%0.546SS..Hα-helixtrans-55.5-46.3174.4-67.6164000110.3D918 V919 R924 N925 D926D918-I922 WeakPolarHBondContact O-CG1 3.4Å; D918-I922 PolarHBondContact O-N 3.44Å; V919-I922 PolarHBondContact O-N 2.88Å; I922-R924 VanDerWaalsContact C-N 3.32Å; I922-R924 PolarHBondContact O-N 3.46Å; I922-N925 PolarHBondContact O-N 2.83Å; I922-D926 PolarHBondContact O-N 3.38Å
923I72.9Confident59.2Low85 Ų85107 Ų10744%0.43656%0.557SS.*Hα-helixtrans-63.4-34.8177.8-68.1167000112.2V919 E921 L927V919-I923 HydrophobicContact CG1-CD1 3.91Å; V919-I923 WeakPolarHBondContact O-CD1 3.37Å; V919-I923 VanDerWaalsContact O-CG1 3.28Å; V919-I923 WeakPolarHBondContact O-CG1 3.48Å; V919-I923 PolarHBondContact O-N 3.2Å; V919-I923 VanDerWaalsContact O-N 3.1Å; E921-I923 VanDerWaalsContact C-N 3.29Å; E921-I923 PolarHBondContact O-N 3.08Å; I923-L927 HydrophobicContact CG2-CD1 3.87Å; I923-L927 WeakPolarHBondContact O-CB 3.47Å; I923-L927 VanDerWaalsContact O-CG 3.27Å; I923-L927 WeakPolarHBondContact O-CG 3.34Å; I923-L927 PolarHBondContact O-N 3.01Å
924R67.9Low58.7Low135 Ų135106.7 Ų106.751%0.50957%0.568SS.*Hα-helixtrans-69.9-36.5175.3-79.8176.9-76.4134.7-5.4112.4N920 E921 I922 S928N920-R924 WeakPolarHBondContact O-CG 3.44Å; N920-R924 PolarHBondContact O-N 3.47Å; N920-R924 PolarHBondContact O-NE 3.49Å; E921-R924 VanDerWaalsContact CA-NH2 3.26Å; E921-R924 WeakPolarHBondContact O-CB 3.27Å; E921-R924 PolarHBondContact O-N 2.93Å; E921-R924 IonicContact OE1-CZ 3.85Å; E921-R924 IonicContact OE1-NH1 3.27Å; E921-R924 PolarHBondContact OE1-NH1 3.43Å; E921-R924 IonicContact OE1-NH2 3.65Å; I922-R924 VanDerWaalsContact C-N 3.32Å; I922-R924 PolarHBondContact O-N 3.46Å; R924-S928 WeakPolarHBondContact O-CB 3.45Å; R924-S928 PolarHBondContact O-N 3.33Å; R924-S928 PolarHBondContact O-OG 3.25Å
925N61.8Low58.2Low98 Ų98110 Ų11052%0.52458%0.581SS.*Hα-helixtrans-73.2-41178.4-70.7-26000112.1E921 I922 S928 S929E921-N925 PolarHBondContact O-N 3.11Å; I922-N925 PolarHBondContact O-N 2.83Å; N925-S928 PolarHBondContact O-N 3.34Å; N925-S928 PolarHBondContact O-OG 3.08Å; N925-S928 VanDerWaalsContact O-OG 3.08Å; N925-S929 PolarHBondContact O-N 2.79Å
926D64.1Low57.4Low107 Ų107110.6 Ų110.657%0.57262%0.62SS**Hα-helixtrans-62.3-47.4174.5-105.310.6000111.4I922 S928 S929I922-D926 PolarHBondContact O-N 3.38Å; D926-S928 VanDerWaalsContact C-N 3.32Å; D926-S928 PolarHBondContact O-N 2.85Å; D926-S929 PolarHBondContact O-N 3.43Å; D926-S929 PolarHBondContact O-OG 3.46Å
927L62.8Low57.2Low124 Ų124112.3 Ų112.365%0.64963%0.631SS**Hα-helixtrans-68.7-25.6-178-70.9173.3000114.1I923I923-L927 HydrophobicContact CG2-CD1 3.87Å; I923-L927 WeakPolarHBondContact O-CB 3.47Å; I923-L927 VanDerWaalsContact O-CG 3.27Å; I923-L927 WeakPolarHBondContact O-CG 3.34Å; I923-L927 PolarHBondContact O-N 3.01Å
928S53.2Low57.3Low72 Ų72113.3 Ų113.350%0.50364%0.638SS.*Hα-helixtrans-79.9-29.1175.847.80000112.8R924 N925 D926 I930 S931R924-S928 WeakPolarHBondContact O-CB 3.45Å; R924-S928 PolarHBondContact O-N 3.33Å; R924-S928 PolarHBondContact O-OG 3.25Å; N925-S928 PolarHBondContact O-N 3.34Å; N925-S928 PolarHBondContact O-OG 3.08Å; N925-S928 VanDerWaalsContact O-OG 3.08Å; D926-S928 VanDerWaalsContact C-N 3.32Å; D926-S928 PolarHBondContact O-N 2.85Å; S928-I930 VanDerWaalsContact C-N 3.29Å; S928-I930 PolarHBondContact O-N 3.2Å; S928-S931 PolarHBondContact O-OG 3.27Å
929S51.5Low56.8Low85 Ų85114.4 Ų114.459%0.59465%0.645SS**Hα-helixtrans-67.4-22.1178.876.80000115.1N925 D926N925-S929 PolarHBondContact O-N 2.79Å; D926-S929 PolarHBondContact O-N 3.43Å; D926-S929 PolarHBondContact O-OG 3.46Å
930I52.1Low56.1Low135 Ų135117.3 Ų117.369%0.69266%0.66SS**THydrogen-bonded Turntrans-87-9-169.6-67.9168.8000113.4S928S928-I930 VanDerWaalsContact C-N 3.29Å; S928-I930 PolarHBondContact O-N 3.2Å
931S50.2Low55.4Low96 Ų96119.5 Ų119.567%0.67167%0.674SS**THydrogen-bonded Turntrans-91.3-2.6-168.168.20000116.9S928S928-S931 PolarHBondContact O-OG 3.27Å
932V51Low54.5Low110 Ų110120.9 Ų120.967%0.66769%0.688SS**  trans-130.483.9-175.3-1700000112.2
933H40.8Very low53.1Low175 Ų175121.9 Ų121.981%0.8170%0.698SS**  trans-169.9105.2131.9-94.7-50.2000110.9
934S41.3Very low51.6Low112 Ų112124.8 Ų124.878%0.78372%0.718SS**  trans-150.9142.6159.8-750000107
935H38Very low50.2Low199 Ų199123.9 Ų123.992%0.92174%0.736SS**  trans71.678.9-162-56.9-76000115.4
936A36Very low49.2Very low174 Ų174126.3 Ų126.3100%1.43876%0.755SS**  trans-138.60134.700000107.2

Retrieved 936 of 936 residues in 696.2 ms (Link to these results)