A0A087XBR2_POEFO Loading...

N-alpha-acetyltransferase 30

AlphaFold DB , UniProt , Accession A0A087XBR2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 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
1M44.3Very low53.3Low253 Ų253130.5 Ų130.5100%1.24684%0.841SS**  0139.70-67.6172.7174.600107.4
2A45.9Very low52.8Low98 Ų98133.8 Ų133.881%0.8185%0.845SS**  trans-122.5135.8-179.800000109.7
3T54.9Low52.4Low145 Ų145133.2 Ų133.289%0.8984%0.843SS**PPolyproline II helixtrans-85.4132.3-174.7-56.90000110.9
4V57.8Low51.4Low127 Ų127131.5 Ų131.577%0.7784%0.838SS**PPolyproline II helixtrans-92.8131.8175.8-178.10000109.4
5P65.5Low51Low107 Ų107130.8 Ų130.870%0.69584%0.838SS**PPolyproline II helixtrans-75148.1176.430.7-34.7000112.1
6P66.9Low51.1Low131 Ų131129.3 Ų129.385%0.85183%0.829SS**PPolyproline II helixtrans-76.3145.918031.5-35.1000112.7
7G50.1Low50Low60 Ų60129.2 Ų129.262%0.61983%0.826SS**PPolyproline II helixtrans-83.8162.8173.200000113.7
8P62.7Low49.2Very low136 Ų136131.3 Ų131.388%0.88382%0.824SS**PPolyproline II helixtrans-69.2142.2179.429.1-34.8000112.2
9S53.2Low48.9Very low115 Ų115132 Ų13280%0.80483%0.826SS**PPolyproline II helixtrans-87.4147.7-177.9-65.50000113.1
10N43.3Very low48.5Very low169 Ų169129.9 Ų129.990%0.90482%0.822SS**PPolyproline II helixtrans-64.9132.2162.4-78.2-33.5000110.3
11A41.8Very low48.9Very low95 Ų95128.6 Ų128.679%0.78581%0.814SS**  trans-135.9105.516900000110
12L47.1Very low48.4Very low169 Ų169125.2 Ų125.289%0.88579%0.793SS**  trans-96.4128169.5-72.1169.6000109.3
13P48.1Very low47.9Very low127 Ų127126.3 Ų126.383%0.82580%0.795SS**  trans-79.9153157.933.5-31.7000110.3
14S37.3Very low46.8Very low109 Ų109123.2 Ų123.276%0.76279%0.792SS**  trans-132.8115-165.758.90000115
15S45.3Very low45.6Very low121 Ų121122.5 Ų122.585%0.84680%0.799SS**  trans62.9175.4159-111.20000117.3
16P52.6Low43.9Very low107 Ų107120.9 Ų120.970%0.69580%0.802SS**  cis-127.9-155.8-12.429.9-6.6000112.2
17V32.3Very low42.3Very low127 Ų127126.3 Ų126.377%0.7781%0.805SS**  trans75.1137.7160.4169.50000116.2
18E35.5Very low41.5Very low168 Ų168127.5 Ų127.579%0.78581%0.809SS**  cis-163.8165.6-19.1-178.4163120.600108.9
19V44.4Very low40.2Very low144 Ų144128.9 Ų128.987%0.87380%0.804SS**  trans-118.4126.4179.1176.20000111
20A40.2Very low39.8Very low90 Ų90129.4 Ų129.474%0.74480%0.804SS**  trans-144157.217000000112.2
21P58.4Low39.4Very low102 Ų102125.2 Ų125.266%0.66279%0.793SS**  trans-123.8-147.5-162.142.8-26.5000114.3
22F33.1Very low39.3Very low182 Ų182126.9 Ų126.980%0.79879%0.793SS**  trans86.8117.4-179.9-55-69.9000114.7
23S35Very low38.7Very low122 Ų122127.5 Ų127.585%0.85379%0.791SS**  83.3141.167.6-62.70000113.4
24G31.6Very low38Very low79 Ų79125.1 Ų125.181%0.81478%0.783SS**  cis153116.8-8.800000114
25A33.8Very low37.6Very low113 Ų113123.6 Ų123.693%0.93478%0.784SS**  trans-175158.8168.100000109.3
26G29.6Very low36.8Very low72 Ų72126.7 Ų126.774%0.74279%0.785SS**  cis160.8150.8-9.900000113.1
27R32Very low35.8Very low246 Ų246125.3 Ų125.393%0.92878%0.783SS**  trans77.5124.3170.4-150.3176.8-170.1-174.52.3116.1
28A33.3Very low35.7Very low84 Ų84123.8 Ų123.869%0.69477%0.774SS**  cis101.4121.92100000115.7
29E35.5Very low35.4Very low166 Ų166125.5 Ų125.578%0.77678%0.775SS**  trans43.2141.1155.6-62.9-66.9100.300121.4
30P45.8Very low34.7Very low126 Ų126129.9 Ų129.982%0.81878%0.775SS**  -136.8164.7106.839.7-30.7000115.3
31A34.9Very low34.3Very low80 Ų80131.4 Ų131.466%0.66178%0.775SS**  trans-130.9-162.1-17900000111.9
32V40.2Very low33Very low131 Ų131135 Ų13579%0.79478%0.783SS**  trans82.3129.6176.5-177.30000113.1
33E34.9Very low32.9Very low181 Ų181133.5 Ų133.585%0.84678%0.783SS**  cis-156.6-169.2-2.7-130-176.6108.700109
34A31.8Very low32.8Very low78 Ų78132.8 Ų132.865%0.64578%0.779SS**  cis-160.9162.11.100000111.4
35G28.7Very low32.7Very low76 Ų76135.5 Ų135.578%0.78478%0.779SS**  trans71.9167.5158.300000118.7
36E29.8Very low32.7Very low187 Ų187135.1 Ų135.187%0.87477%0.769SS**  cis-163.3146.1-31-157.8-166.5132.300109.2
37A31.2Very low33Very low78 Ų78136.3 Ų136.365%0.64577%0.772SS**  trans64.1154.5159.100000119.1
38T29.3Very low32.9Very low94 Ų94127.6 Ų127.658%0.57776%0.759SS**  cis-168.5168-13.819.90000111.4
39Y29.6Very low32.9Very low205 Ų205131.1 Ų131.180%0.80477%0.772SS**  trans73.7117.8165.8-36.6-58.9000116.9
40R30.6Very low32.7Very low235 Ų235126.5 Ų126.589%0.88777%0.769SS**  68.911771.4-78.2-170.2165.5156.1-2.6114.5
41V31.1Very low32.2Very low123 Ų123130.1 Ų130.175%0.74577%0.772SS**  69.9132.463.5-179.50000110.5
42E30.8Very low32.1Very low178 Ų178136.4 Ų136.483%0.83278%0.784SS**  cis-137.5164.826.42.9-149.883.200111.1
43D30.8Very low31.6Very low149 Ų149135.9 Ų135.980%0.79779%0.786SS**  93.5167.452.5-151.91000115
44S32.9Very low31.6Very low108 Ų108135.4 Ų135.476%0.75578%0.784SS**  trans107.678.4169.678.10000122.2
45V31Very low32.5Very low135 Ų135137.4 Ų137.482%0.81879%0.791SS**  18.4134.4121.9-176.90000122.7
46S33.9Very low32.7Very low105 Ų105137.7 Ų137.773%0.73479%0.785SS**  165.3123.1127.9-1730000111.2
47A34.2Very low32.7Very low97 Ų97136.3 Ų136.380%0.80278%0.784SS**  59.8136.169.800000115.6
48G30.7Very low32.8Very low63 Ų63140.7 Ų140.765%0.64979%0.791SS**  cis173.3-156.4-0.400000114.8
49T32.5Very low32.9Very low159 Ų159141 Ų14198%0.97579%0.792SS**  trans84.5146.4176.476.50000119.1
50G32Very low33.1Very low68 Ų68140.8 Ų140.870%0.70180%0.796SS**  cis166.4155.9-16.100000117.5
51K34.4Very low33Very low203 Ų203133.4 Ų133.488%0.88379%0.793SS**  trans86122.3175.9-57.9174.4-178.4174.40115.8
52K33.8Very low33.1Very low211 Ų211133.9 Ų133.992%0.91780%0.802SS**  81.3138.560.2-76.9-170.4174.2-174.90112.8
53S29.8Very low33.2Very low121 Ų121130.4 Ų130.485%0.84680%0.803SS**  cis-148.8177.640.555.30000117.8
54Q34Very low33.6Very low171 Ų171133.3 Ų133.380%0.79981%0.809SS**  trans-100.2-178.1172.2-121.3175.5-1.600110.6
55P51.2Low33.7Very low120 Ų120138.3 Ų138.378%0.77982%0.817SS**  cis-124.7171.434.819.36.5000114.4
56A33.4Very low34.1Very low81 Ų81141.3 Ų141.367%0.66982%0.819SS**  cis105.1119.519.400000115.6
57N29Very low34Very low158 Ų158145.2 Ų145.285%0.84583%0.825SS**  trans-162168.6147-143.4-16.2000112.5
58E33.2Very low34.2Very low170 Ų170149.2 Ų149.279%0.79483%0.825SS**  trans-95.1-171.3-169.1-50.5-177.192.300114
59V33.1Very low34.4Very low100 Ų100153 Ų15361%0.60683%0.83SS**  cis-164.116016.283.60000114
60K32.6Very low34.6Very low201 Ų201153.7 Ų153.787%0.87482%0.824SS**  trans60.6141.3157.8-70.7166.4-171.2168.70122.1
61G29.4Very low34.8Very low80 Ų80157.9 Ų157.983%0.82583%0.83SS**  trans158.495.1152.500000116.4
62S32.3Very low34.6Very low133 Ų133152.8 Ų152.893%0.9383%0.826SS**  trans-108.9132.1178.7-72.60000113.7
63A33.8Very low34.6Very low105 Ų105154.4 Ų154.487%0.86883%0.826SS**  trans-159.4135.315300000112.8
64K37.6Very low34.5Very low211 Ų211153.7 Ų153.792%0.91783%0.827SS**  trans-113.6137.3161.1-75179178.2173.40108.6
65K35.2Very low34.2Very low213 Ų213151.2 Ų151.293%0.92683%0.829SS**  trans-153.3132.2156.7-117.5170-176.21770111.8
66K39.2Very low33.8Very low198 Ų198151.1 Ų151.186%0.86183%0.829SS**  trans-84.2149.8166.8-61.9176.6177.3179.80108.9
67H33.6Very low33.5Very low187 Ų187152.2 Ų152.287%0.86684%0.837SS**  trans-173.6164.3146.7-118.2-98.7000109.3
68K37.4Very low33.5Very low181 Ų181149.2 Ų149.279%0.78784%0.835SS**  -152.3142.5-71-179.8179.6174.6-174.90106.3
69N35.7Very low33.3Very low141 Ų141149.7 Ų149.775%0.75484%0.842SS**  trans-65.6143.3179-174.112.6000112.4
70M35.8Very low33.2Very low174 Ų174153 Ų15386%0.85785%0.85SS**  trans-144.6138.7160.9-92.8-167.56700111.6
71L36.4Very low33Very low156 Ų156151.4 Ų151.482%0.81785%0.85SS**  trans-114.9139.3176.7-171.798000108.4
72A31.4Very low33Very low97 Ų97156.3 Ų156.380%0.80285%0.849SS**  trans-145.3136.6170.300000111.4
73R32.6Very low32.9Very low244 Ų244159.1 Ų159.192%0.92185%0.85SS**  trans-103.5139.4170.5-74.1172.6159.5179.5-7.2109
74A28.6Very low32.8Very low106 Ų106163.3 Ų163.388%0.87685%0.851SS**  trans-156.5123.9159.800000111.2
75S27.3Very low32.8Very low119 Ų119158.5 Ų158.583%0.83285%0.851SS**  trans-177.6154.6168-167.50000107.8
76P42.3Very low32.6Very low119 Ų119151.6 Ų151.677%0.77384%0.84SS**  cis-115.6174.1-8.839.5-27.9000113
77A28Very low32.1Very low103 Ų103151.3 Ų151.385%0.85184%0.842SS**  trans-139.5145.5159.700000109.3
78A28.1Very low32.1Very low96 Ų96151.6 Ų151.679%0.79384%0.843SS**  trans-87.1142.1-166.600000113.7
79L30.3Very low32.1Very low179 Ų179152 Ų15294%0.93785%0.848SS**  trans-113.6113.2153.6-76.4176.9000108.6
80H28.9Very low31.9Very low171 Ų171153.9 Ų153.979%0.79285%0.852SS**  trans-95.4103.3-176.7-178.8105000108.7
81L29.3Very low32Very low167 Ų167154 Ų15487%0.87486%0.855SS**  trans-109.4122.4176-153.675.4000110.2M83L81-M83 PolarHBondContact O-N 2.89Å
82K29.4Very low31.9Very low183 Ų183154.1 Ų154.180%0.79686%0.857SS**  trans-65.7124.5174.7-80.1176.9172.5175.40109.6Q84K82-Q84 PolarHBondContact O-N 2.97Å
83M30.5Very low31.7Very low191 Ų191152.8 Ų152.894%0.94185%0.853SS**  trans-72.8112.2162.8-70.3176.664.900108.7L81L81-M83 PolarHBondContact O-N 2.89Å
84Q31.1Very low31.6Very low194 Ų194148.9 Ų148.991%0.90785%0.849SS**  trans-95.5125.3164.6-158.2164.9-1.700106.9K82K82-Q84 PolarHBondContact O-N 2.97Å
85A37.2Very low31.6Very low110 Ų110150.6 Ų150.691%0.90985%0.848SS**  trans-78125.7-176.800000110.4
86G30.8Very low31.9Very low67 Ų67149.3 Ų149.369%0.69184%0.84SS**  trans-177.6154.2178.200000112.7
87E28.8Very low31.4Very low192 Ų192149.1 Ų149.190%0.89784%0.838SS**  trans57.183.5161.4-59.5-173.899.500117.7Q89E87-Q89 PolarHBondContact O-N 3.44Å
88Q34.4Very low31.5Very low194 Ų194149.8 Ų149.891%0.90784%0.837SS**PPolyproline II helixtrans-63.2121.8153.9-64.3170.6-9.300109.4
89Q36.6Very low31.8Very low190 Ų190153.8 Ų153.889%0.88884%0.839SS**PPolyproline II helixtrans-76.6140.7169.4-73.7-174.2-20.500110.9E87E87-Q89 PolarHBondContact O-N 3.44Å
90Q31.7Very low32.1Very low180 Ų180152.6 Ų152.684%0.84183%0.834SS**PPolyproline II helixtrans-78.9128.9-162.4-64.6168.8-8.200112.5
91L39.5Very low32.7Very low175 Ų175150.2 Ų150.292%0.91683%0.833SS**PPolyproline II helixtrans-90.9133.4158.2-84.2165000108.8G93L91-G93 PolarHBondContact O-N 3.2Å
92N32.4Very low32.7Very low159 Ų159149.5 Ų149.585%0.8583%0.831SS**  trans-68114.6-162.3-75.1-42.7000114.7
93G27.4Very low33Very low69 Ų69147 Ų14771%0.71183%0.826SS**  74.484.8128.500000118.3L91L91-G93 PolarHBondContact O-N 3.2Å
94L30.6Very low33.3Very low162 Ų162146 Ų14685%0.84882%0.818SS**  trans-160.2102140.6-112.9167.2000110.4
95V28.2Very low33.7Very low142 Ų142145.5 Ų145.586%0.86182%0.816SS**  trans-123.2125163.3171.60000106.7
96S33.7Very low33.3Very low93 Ų93151.9 Ų151.965%0.6582%0.817SS**PPolyproline II helixtrans-101.1151.4164.9-63.80000108.2
97P33.1Very low33.3Very low115 Ų115153.7 Ų153.775%0.74783%0.825SS**PPolyproline II helixtrans-63149.6179.327.9-35.1000111.3
98S30.5Very low33.4Very low117 Ų117154.3 Ų154.382%0.81883%0.828SS**PPolyproline II helixtrans-91.3123.2164.751.40000108.9
99E33.8Very low33.2Very low179 Ų179149.1 Ų149.184%0.83683%0.826SS**  trans-105155.3168.7-65.9177.6123.400109.3
100D36.4Very low33Very low154 Ų154149.9 Ų149.982%0.82482%0.821SS**PPolyproline II helixtrans-76.2161-163.5-67.5-76.8000115
101P40.9Very low33.7Very low121 Ų121146.7 Ų146.779%0.78682%0.816SS**PPolyproline II helixtrans-81.1130.117432.1-33.4000112.7
102D29.8Very low33.4Very low153 Ų153143.1 Ų143.182%0.81880%0.798SS**PPolyproline II helixtrans-65.5132.4161.2-90.5-60.8000110.9
103D36Very low33.3Very low129 Ų129142.5 Ų142.569%0.6980%0.795SS**  trans-123.5126163-163.7-53.5000109.5
104H37.1Very low33.6Very low170 Ų170147 Ų14779%0.78780%0.801SS**  trans-100.6107.5177.8-80.7-17.3000110.7
105Q38.3Very low33.5Very low185 Ų185146.4 Ų146.486%0.86479%0.792SS**  trans-144.6156.9158.9-111.2156113.300113.5
106R29.5Very low34.1Very low244 Ų244144.3 Ų144.392%0.92178%0.781SS**  trans-139.8110.2-153.9172.8-168.1-179.1-1752.5110.2
107A30.6Very low33.9Very low104 Ų104143.9 Ų143.986%0.8678%0.778SS**  trans-152152.4167.900000112.2
108E31.7Very low33.8Very low205 Ų205144.9 Ų144.996%0.95877%0.773SS**  trans-79.9165.6-164.8-48.1-179.813700114.7
109G30.1Very low33.7Very low85 Ų85146.4 Ų146.488%0.87677%0.772SS**  trans158.785.3165.600000117.4
110R31.3Very low33.5Very low207 Ų207144.7 Ų144.778%0.78177%0.769SS**  trans-113.1133.7167.1170.7170.8178.5179.7-0.1107.9D112R110-D112 IonicContact CZ-OD1 2.76Å; R110-D112 IonicContact NE-OD1 2.71Å; R110-D112 PolarHBondContact NE-OD1 3.14Å; R110-D112 IonicContact NH2-OD1 3.56Å; R110-D112 PolarHBondContact NH2-OD1 3.49Å
111P47.5Very low33.1Very low113 Ų113143.1 Ų143.173%0.73477%0.768SS**  -151.9131.289.135.9-13.9000119.9
112D32Very low32.4Very low99 Ų99144.5 Ų144.553%0.52977%0.769SS.*  73.6154.3124.2-58.4-18000124.9R110R110-D112 IonicContact CZ-OD1 2.76Å; R110-D112 IonicContact NE-OD1 2.71Å; R110-D112 PolarHBondContact NE-OD1 3.14Å; R110-D112 IonicContact NH2-OD1 3.56Å; R110-D112 PolarHBondContact NH2-OD1 3.49Å
113N31.6Very low32.5Very low147 Ų147141.5 Ų141.579%0.78676%0.76SS**  trans75.3134.8164.2-76.9-34000117.9
114L32.4Very low32.1Very low162 Ų162140.5 Ų140.585%0.84876%0.763SS**  cis-148.1168.110.1-99.7145.3000112.8
115K29.3Very low31.6Very low150 Ų150138.7 Ų138.765%0.65277%0.768SS**  trans-112.1176.3167.3-128.8-155.6170.3-1530109.7E118K115-E118 IonicContact NZ-OE1 2.62Å; K115-E118 PolarHBondContact NZ-OE1 3.12Å; K115-E118 IonicContact NZ-OE2 2.69Å
116P40Very low31.1Very low98 Ų98132.9 Ų132.964%0.63676%0.758SS**  cis-98.7-149.922.31410.6000111.8E118P116-E118 WeakPolarHBondContact CB-OE2 3.33Å
117S29.7Very low31.1Very low85 Ų85126.4 Ų126.459%0.59475%0.75SS**  cis-145.3172.19.6-52.70000109.7
118E31Very low31.1Very low135 Ų135130.5 Ų130.563%0.63175%0.749SS**  cis75.613820.4-58.982.1-112.400113.5K115 P116K115-E118 IonicContact NZ-OE1 2.62Å; K115-E118 PolarHBondContact NZ-OE1 3.12Å; K115-E118 IonicContact NZ-OE2 2.69Å; P116-E118 WeakPolarHBondContact CB-OE2 3.33Å
119D29.1Very low31Very low149 Ų149125.4 Ų125.480%0.79774%0.741SS**  cis-143.3-163.914.6-151.3-21.2000114.4
120N29.5Very low31Very low144 Ų144125.8 Ų125.877%0.7774%0.736SS**  trans-100.5-178.8-161.1-72.9-89.3000118.7
121C28.3Very low31Very low120 Ų120120.9 Ų120.981%0.81174%0.74SS**  trans94.2105.6145.186.30000124.5
122D26.7Very low30.2Very low151 Ų151119.6 Ų119.681%0.80774%0.739SS**  72.4144.4111.3-141.1-11.1000124.9
123S30.6Very low30.4Very low89 Ų89123.9 Ų123.962%0.62276%0.758SS**  trans67.998.7145.6-800000126
124S29Very low30.4Very low108 Ų108124 Ų12476%0.75576%0.759SS**  95138.4111.586.10000124.3
125C25.9Very low30.3Very low133 Ų133120.3 Ų120.390%0.89975%0.746SS**  trans70.3131.4135.6-157.40000124
126G26.7Very low30.3Very low63 Ų63118.4 Ų118.465%0.64975%0.748SS**  trans155.5129.1132.400000120.4
127S30.4Very low30Very low108 Ų108121.6 Ų121.676%0.75575%0.754SS**  trans77.7143.4157.4-620000119.9
128K30.2Very low30Very low190 Ų190125.1 Ų125.183%0.82676%0.76SS**  cis-164.4145.9-3.9-116.8167.6-170.2174.30113.8
129A30.3Very low29.9Very low97 Ų97123.4 Ų123.480%0.80276%0.762SS**  trans60.7153.8142.900000122.5
130A29.3Very low29.9Very low93 Ų93124.9 Ų124.977%0.76977%0.765SS**  cis-173154.7-23.900000113.1
131A30.9Very low29.8Very low104 Ų104125.6 Ų125.686%0.8676%0.763SS**  trans61.5157.3150.400000121.9
132A32.2Very low29.8Very low87 Ų87128.1 Ų128.172%0.71976%0.763SS**  cis-171.5151.7-28.900000112.1
133M35.8Very low29.8Very low188 Ų188124.6 Ų124.693%0.92676%0.762SS**  trans39.1145.2144.5-67.1176.3175.300122.2
134N30.2Very low29.9Very low151 Ų151129.7 Ų129.781%0.80778%0.776SS**  cis-163.6-154.3-11.9-158.518.6000107.3
135S30.5Very low29.9Very low84 Ų84131.9 Ų131.959%0.58778%0.779SS**  cis-168164.14-155.40000113.2
136T30.6Very low30.7Very low110 Ų110130.6 Ų130.668%0.67577%0.769SS**  trans62.997.5145.9-47.20000124.4
137E33.6Very low30.7Very low164 Ų164136.7 Ų136.777%0.76678%0.777SS**  56.5141.2126.2-57.5-16578.200128.5
138H30.2Very low30.6Very low159 Ų159136.2 Ų136.274%0.73677%0.774SS**  trans101.197.1134.5-112.379.8000124.1
139C28.1Very low30.5Very low99 Ų99136 Ų13667%0.66977%0.774SS**  trans73.3129.4132.6-80.20000126.7
140Q29.3Very low30.4Very low181 Ų181139.2 Ų139.285%0.84678%0.777SS**  trans97138.1146.1-71.1-173.721.900124
141H28Very low30.2Very low159 Ų159138.3 Ų138.374%0.73678%0.776SS**  trans72.6163.5162.5-102.1-90.2000123.3
142E27.6Very low30Very low173 Ų173139.8 Ų139.881%0.80877%0.77SS**  trans-74.2157.2-156.2-60153.6112.800116.1
143G27.3Very low29.8Very low76 Ų76143.6 Ų143.678%0.78477%0.772SS**  trans-175.6138169.700000115.6
144H31.9Very low29.7Very low197 Ų197139.5 Ų139.591%0.91276%0.762SS**  trans-50.8145.7-178.2-71.2-90.6000118.1
145N29.1Very low29.9Very low153 Ų153137.9 Ų137.982%0.81876%0.76SS**  trans-58.9156150-102.3-33.6000111
146P43.5Very low29.8Very low106 Ų106139.9 Ų139.969%0.68877%0.768SS**  cis-149.1-178.541.834.8-10.9000118.8
147F26.8Very low30Very low191 Ų191141 Ų14184%0.83878%0.775SS**  trans85.2119.9159.3-82.8-74000122.5
148S27.2Very low29.7Very low98 Ų98140.8 Ų140.869%0.68578%0.779SS**  trans79.299.5140-68.30000123.7
149K28.7Very low29.9Very low187 Ų187138.3 Ų138.381%0.81378%0.78SS**  trans79.8131.3132-69.5-172.5175.1-1780122.5
150N26.7Very low29.8Very low164 Ų164138.7 Ų138.788%0.87778%0.784SS**  trans68.4140.8159.3-55.93.9000116.7
151G26.3Very low29.9Very low73 Ų73137.1 Ų137.175%0.75379%0.786SS**  cis-131.3-157.5-10.500000110.3
152N26.1Very low30Very low135 Ų135137.1 Ų137.172%0.72279%0.792SS**  cis-165.3171.915.7-149.731.6000111.3
153H28.9Very low30Very low167 Ų167132.2 Ų132.277%0.77379%0.788SS**  trans79.1139.8165-58.9-65.8000122.7
154S33.9Very low30.3Very low102 Ų102137.1 Ų137.171%0.71379%0.792SS**  trans-30.5151.5173.4-41.70000120
155P34.5Very low30.4Very low117 Ų117133 Ų13376%0.7678%0.783SS**  -119.1148.892-1.922.9000112.8
156V27.8Very low30.2Very low126 Ų126129.8 Ų129.876%0.76478%0.778SS**  58.3114.574.2-174.40000113.2
157T34.3Very low29.4Very low133 Ų133134.6 Ų134.682%0.81679%0.788SS**  trans-69.1127.5174.647.50000111.7
158N28.7Very low29.4Very low160 Ų160131.7 Ų131.786%0.85679%0.786SS**  trans-150.1150.6158-115.5-23.2000111.2
159S32.9Very low29.4Very low107 Ų107138.7 Ų138.775%0.74880%0.797SS**  trans-84.5131.1-167.543.50000113.4
160S26.3Very low29.4Very low108 Ų108136.1 Ų136.176%0.75580%0.798SS**  trans-163.2111.2160.3-82.20000111.6
161V32.1Very low29.5Very low148 Ų148137.3 Ų137.390%0.89780%0.798SS**  trans-119.5114.8147.3-75.70000106.3
162N30.3Very low29.6Very low158 Ų158138.9 Ų138.985%0.84580%0.804SS**  trans-68.1139.9-176.7-79.9-36.5000110.7
163G26.5Very low29.8Very low70 Ų70137.1 Ų137.172%0.72281%0.808SS**  trans-71.9176.2177.400000113.8
164M33.8Very low29.8Very low180 Ų180138.4 Ų138.489%0.88781%0.814SS**  trans-54.7158.3171.7-67.1-76.3152.200112.7
165P33.2Very low29.5Very low110 Ų110142.4 Ų142.471%0.71482%0.822SS**  -105.6124.1129.731.7-30.1000110.1
166A26.5Very low29.1Very low85 Ų85140.6 Ų140.670%0.70282%0.824SS**  trans-78.6145.7166.100000109.9
167F26Very low29.3Very low208 Ų208143.5 Ų143.591%0.91283%0.829SS**  trans-9788.4167.2-83.1-82.8000110
168T26.2Very low28.9Very low130 Ų130145 Ų14580%0.79883%0.832SS**PPolyproline II helixtrans-76.6149.6159.543.20000109.8
169R28Very low29Very low244 Ų244145.2 Ų145.292%0.92183%0.828SS**PPolyproline II helixtrans-100.8132.1-178.2-175.1176.9-179.5173.9-0110
170T27.5Very low28.7Very low133 Ų133149.7 Ų149.782%0.81683%0.834SS**PPolyproline II helixtrans-70142.4-175.2-38.20000113.2
171E29.5Very low28.8Very low189 Ų189150.5 Ų150.588%0.88383%0.83SS**PPolyproline II helixtrans-95.6165.1166.6-64.3-174.6111.600111.4
172A28.8Very low28.8Very low106 Ų106151 Ų15188%0.87682%0.822SS**  trans-134.4141.6171.600000109.7
173A31Very low28.6Very low98 Ų98150 Ų15081%0.8182%0.823SS**  trans-94.2163.7-162.700000114.5
174H27.1Very low28.8Very low194 Ų194154.4 Ų154.490%0.89882%0.824SS**  -151.9153.7129.5-137.17.7000111
175E29.3Very low29Very low187 Ų187151.9 Ų151.987%0.87482%0.821SS**  trans-120.5160.9178.9-68177.1128.400109.6
176G26Very low28.8Very low78 Ų78151.9 Ų151.980%0.80482%0.819SS**  trans-166.8115.8172.600000109.7
177E31.5Very low28.9Very low187 Ų187159.4 Ų159.487%0.87483%0.829SS**  trans-91.3153.6-176.3-59.5178100.800112.1
178D26.7Very low29Very low165 Ų165157.9 Ų157.988%0.88283%0.825SS**  trans-157.1149.8143.5-129-32.5000110.4
179Q29.9Very low30.5Very low164 Ų164157.5 Ų157.577%0.76683%0.825SS**  trans-153.2122-163.6174.1-172.7107.500114
180F27.5Very low30.6Very low202 Ų202149.2 Ų149.289%0.88682%0.816SS**  trans-169.4158158-79-75.9000109
181D27.8Very low30.8Very low125 Ų125150.6 Ų150.667%0.66882%0.818SS**  cis-163.5169.1-35.4-172.829.7000110.5
182H31.4Very low31Very low157 Ų157146 Ų14673%0.72781%0.807SS**  trans-7.9138.4170.4-69.8-50.8000121.5
183T26.9Very low31.2Very low139 Ų139148.9 Ų148.985%0.85381%0.807SS**  171.6145.1101.8-68.60000112.5
184Q30.4Very low31.2Very low161 Ų161147 Ų14775%0.75280%0.798SS**  trans-110.7160.6173.7-157-172.62400110.7
185P38.4Very low32.3Very low127 Ų127144.5 Ų144.583%0.82580%0.799SS**  -149.3168.711437.5-21000116.7
186T28.7Very low32.3Very low110 Ų110139.4 Ų139.468%0.67580%0.797SS**  trans-96.6155-173.3-35.20000114
187R28.2Very low32.6Very low243 Ų243139.4 Ų139.492%0.91780%0.797SS**  trans-170.4157.5142.3-109.3164.9-170.5176.43.4114.7
188E29.3Very low32.7Very low177 Ų177140.1 Ų140.183%0.82780%0.8SS**  trans-143-171.5175.9-68.3-159.7164.300108.6
189P56.4Low33.1Very low122 Ų122141.6 Ų141.679%0.79280%0.801SS**  -128.2-173.8-60.636.8-21.1000113.1
190G30.3Very low33.3Very low70 Ų70139.2 Ų139.272%0.72280%0.803SS**  trans98.6151.6170.500000114.9
191D32.8Very low33.7Very low161 Ų161135.4 Ų135.486%0.86180%0.798SS**  cis-156.8165-2.7-125.1-34.9000111.9
192S32.8Very low34Very low94 Ų94134 Ų13466%0.65780%0.804SS**  trans21.1122.6164.262.90000122.2
193D33.3Very low34.1Very low165 Ų165134.5 Ų134.588%0.88281%0.807SS**  -173163.291-120.8-39.1000113.6
194G30.9Very low34.5Very low60 Ų60134 Ų13462%0.61981%0.806SS**  trans-121.3-157.517700000113
195P50.3Low34.9Very low141 Ų141134.3 Ų134.392%0.91681%0.807SS**  cis-104-171.9-10.942.4-32.1000110.5
196G29.5Very low35.2Very low80 Ų80136.6 Ų136.683%0.82581%0.812SS**  cis145.6129.91.600000109.3
197G31.8Very low35.6Very low78 Ų78138.7 Ų138.780%0.80481%0.814SS**  trans169126.2-175.900000110.4
198E34.4Very low36.5Very low201 Ų201130.4 Ų130.494%0.93979%0.792SS**  trans-98.3122.4-166.5-63.9159.995.400112
199E35.1Very low37.7Very low196 Ų196125.6 Ų125.692%0.91678%0.776SS**  trans-128.4125.3157.4-74.1-161.8100.600109.7
200S33.2Very low37.5Very low114 Ų114122 Ų12280%0.79776%0.757SS**PPolyproline II helixtrans-93.5125-178.5-174.70000110.6A202S200-A202 PolarHBondContact O-N 2.73Å
201P37.1Very low38.3Very low122 Ų122121.8 Ų121.879%0.79274%0.741SS**PPolyproline II helixtrans-73116.3177.829.4-32.9000110.6
202A32.9Very low38.8Very low96 Ų96121.1 Ų121.179%0.79373%0.733SS**PPolyproline II helixtrans-67.1136.4-178.400000112.9S200S200-A202 PolarHBondContact O-N 2.73Å
203E33.6Very low39.6Very low167 Ų167119.4 Ų119.478%0.7872%0.716SS**PPolyproline II helixtrans-66.1138.8174-66.4-177.9104.500111.9Q205E203-Q205 PolarHBondContact O-N 2.8Å
204P36.3Very low40.2Very low128 Ų128115.1 Ų115.183%0.83170%0.703SS**  trans-72.492.4173.8-14.329.6000111.4L206P204-L206 PolarHBondContact O-N 2.68Å
205Q38.4Very low40.9Very low168 Ų168121.8 Ų121.879%0.78571%0.71SS**  trans-68.2115.4175.6-69.5-152.1-1500112E203 Q207E203-Q205 PolarHBondContact O-N 2.8Å; Q205-Q207 PolarHBondContact O-N 2.98Å
206L44.4Very low40.8Very low176 Ų176120.6 Ų120.692%0.92170%0.695SS**  trans-62.3113.4174-73.8152.3000110.4P204P204-L206 PolarHBondContact O-N 2.68Å
207Q37.3Very low41.6Very low153 Ų153123.6 Ų123.672%0.71569%0.692SS**  trans-82.2142176-62.7-176.38.500110.9Q205Q205-Q207 PolarHBondContact O-N 2.98Å
208P46.2Very low42.4Very low70 Ų70128.2 Ų128.246%0.45570%0.697SS.*  trans-70.4147.5-17928.1-34.7000112.4A210 V211P208-A210 PolarHBondContact O-N 3.03Å; P208-V211 PolarHBondContact O-N 2.84Å
209P54.9Low42.5Very low76 Ų76122 Ų12249%0.49469%0.687SS.*THydrogen-bonded Turntrans-67-10.4-169.626.6-35.9000115V211 E212 L213P209-V211 PolarHBondContact O-N 2.79Å; P209-E212 PolarHBondContact O-N 2.87Å; P209-E212 VanDerWaalsContact O-N 3.09Å; P209-L213 PolarHBondContact O-N 2.89Å
210A51.8Low42.5Very low47 Ų47116.2 Ų116.239%0.38868%0.681SS.*Hα-helixtrans-55.8-31.5175.200000113.5P208 E212 A214P208-A210 PolarHBondContact O-N 3.03Å; A210-E212 VanDerWaalsContact C-N 3.35Å; A210-A214 PolarHBondContact O-N 2.86Å
211V47.8Very low42.6Very low65 Ų65115.9 Ų115.939%0.39468%0.678SS.*Hα-helixtrans-72-29.8179.5-171.60000111.9P208 P209 A214P208-V211 PolarHBondContact O-N 2.84Å; P209-V211 PolarHBondContact O-N 2.79Å; V211-A214 PolarHBondContact O-N 2.83Å
212E44Very low43Very low146 Ų146116.9 Ų116.968%0.68269%0.685SS**Hα-helixtrans-74.8-38.1-179.5-165170-172.700111.4P209 A210 A214 R215P209-E212 PolarHBondContact O-N 2.87Å; P209-E212 VanDerWaalsContact O-N 3.09Å; A210-E212 VanDerWaalsContact C-N 3.35Å; E212-A214 PolarHBondContact O-N 3.38Å; E212-R215 PolarHBondContact O-N 2.82Å; E212-R215 VanDerWaalsContact O-N 3.09Å
213L49.3Very low43.3Very low59 Ų59115.2 Ų115.231%0.30968%0.677SS.*Hα-helixtrans-59.1-29.7170.4-76.2169.5000112.9P209P209-L213 PolarHBondContact O-N 2.89Å
214A45.8Very low43.5Very low74 Ų74119 Ų11961%0.61268%0.684SS**THydrogen-bonded Turntrans-79.2-13.8177.600000114.3A210 V211 E212A210-A214 PolarHBondContact O-N 2.86Å; V211-A214 PolarHBondContact O-N 2.83Å; E212-A214 PolarHBondContact O-N 3.38Å
215R44.7Very low44.1Very low200 Ų200117.2 Ų117.276%0.75568%0.68SS**THydrogen-bonded Turntrans-88.6-7.3178.4-70.7-176.9177.5-170.90.2113.8E212 D217E212-R215 PolarHBondContact O-N 2.82Å; E212-R215 VanDerWaalsContact O-N 3.09Å; R215-D217 PolarHBondContact O-N 2.78Å
216L48.3Very low44.5Very low116 Ų116118.5 Ų118.561%0.60769%0.686SS**SBendtrans-88.483.7177.5-66.2178.8000112.2
217D45.9Very low44.2Very low143 Ų143113.5 Ų113.577%0.76568%0.677SS**SBendtrans81.378.8153.5-142.2-8.8000118.1R215R215-D217 PolarHBondContact O-N 2.78Å
218L49.4Very low44.5Very low175 Ų175112.1 Ų112.192%0.91668%0.675SS**  trans-13029.9161-72.8177.1000111.8G220L218-G220 VanDerWaalsContact C-N 3.26Å; L218-G220 PolarHBondContact O-N 2.7Å; L218-G220 VanDerWaalsContact O-N 3.14Å
219G36.8Very low44.7Very low70 Ų70114.5 Ų114.572%0.72269%0.693SS**  trans-82.732.2-175.800000115.7S221G219-S221 PolarHBondContact O-N 3.41Å
220G33.8Very low45Very low76 Ų76115.9 Ų115.978%0.78469%0.692SS**  trans-82.690.1-17000000114.9L218L218-G220 VanDerWaalsContact C-N 3.26Å; L218-G220 PolarHBondContact O-N 2.7Å; L218-G220 VanDerWaalsContact O-N 3.14Å
221S36.7Very low46.8Very low107 Ų107116.2 Ų116.275%0.74870%0.701SS**  trans-66.7134.7168.7-78.50000112.1G219 G223G219-S221 PolarHBondContact O-N 3.41Å; S221-G223 VanDerWaalsContact C-N 3.33Å; S221-G223 PolarHBondContact O-N 3.15Å
222P45Very low49Very low143 Ų143114.3 Ų114.393%0.92969%0.688SS**SBendtrans-78.775.5-177.833.1-36000111.3
223G39.4Very low51.5Low60 Ų60114.4 Ų114.462%0.61968%0.682SS**  trans-16725.2-16700000119.3S221S221-G223 VanDerWaalsContact C-N 3.33Å; S221-G223 PolarHBondContact O-N 3.15Å
224R37.6Very low53.8Low248 Ų248114.3 Ų114.394%0.93668%0.678SS**  trans-162.5138.8161.9-104.9147-165.2-158.52.5111.3
225A48.9Very low56.2Low89 Ų89111.7 Ų111.774%0.73666%0.655SS**  trans-96.3-179.8169.100000110.5
226E47.6Very low58.7Low195 Ų195107.5 Ų107.591%0.91164%0.639SS**  trans73.6126.9-178.7-59.5-64.493.100116.4
227G37.9Very low61Low72 Ų72102.8 Ų102.874%0.74261%0.613SS**SBendtrans154.247.117900000115.6S229G227-S229 PolarHBondContact O-N 3.45Å
228D43.6Very low63.3Low124 Ų124103 Ų10366%0.66361%0.61SS**  trans26.185.8179.6-173.835.6000116.1H230D228-H230 PolarHBondContact O-N 2.93Å; D228-H230 IonicContact OD2-CE1 3.76Å; D228-H230 PolarHBondContact OD2-CE1 3.09Å; D228-H230 IonicContact OD2-ND1 3.81Å; D228-H230 PolarHBondContact OD2-ND1 3.33Å
229S50.6Low65.5Low120 Ų12097 Ų9784%0.83958%0.582SS**  trans-68.582.4167.5-69.80000110.4G227 G231G227-S229 PolarHBondContact O-N 3.45Å; S229-G231 PolarHBondContact O-N 3.14Å
230H60.8Low68.3Low104 Ų10496.8 Ų96.848%0.48156%0.562SS.*  trans-40.1114165-74.30.3000108.5D228 I232D228-H230 PolarHBondContact O-N 2.93Å; D228-H230 IonicContact OD2-CE1 3.76Å; D228-H230 PolarHBondContact OD2-CE1 3.09Å; D228-H230 IonicContact OD2-ND1 3.81Å; D228-H230 PolarHBondContact OD2-ND1 3.33Å; H230-I232 HydrophobicContact CB-CD1 3.99Å; H230-I232 PolarHBondContact O-N 2.92Å
231G88.2Confident71.2Confident55 Ų55100 Ų10057%0.56756%0.561SS**  trans-70.242-162.200000117S229 V279S229-G231 PolarHBondContact O-N 3.14Å; G231-V279 WeakPolarHBondContact O-CA 3.46Å
232I94.8Very high73.9Confident25 Ų2595.8 Ų95.813%0.12853%0.529CS..EExtended strand (participates in β ladder)trans-97.495.3-173.6-55.2155.5000108.5H230 Y234 A277 M278 V279 K315 I317H230-I232 HydrophobicContact CB-CD1 3.99Å; H230-I232 PolarHBondContact O-N 2.92Å; I232-Y234 HydrophobicContact CG2-CE1 4.18Å; I232-Y234 HydrophobicContact CG2-CE2 3.9Å; I232-A277 HydrophobicContact CG2-CB 4.02Å; I232-M278 CarbonylContact C-O 3.54Å; I232-M278 WeakPolarHBondContact CA-O 3.15Å; I232-V279 HydrophobicContact CB-CG2 4.37Å; I232-V279 HydrophobicContact CG1-CG2 3.68Å; I232-K315 HydrophobicContact CD1-CB 4.16Å; I232-K315 HydrophobicContact CD1-CD 4.36Å; I232-I317 HydrophobicContact CD1-CD1 3.81Å; I232-I317 HydrophobicContact CD1-CG1 3.9Å; I232-I317 HydrophobicContact CG1-CD1 4.19Å; I232-I317 HydrophobicContact CG2-CD1 4.14Å; I232-I317 HydrophobicContact CG2-CG1 4.27Å
233R96.3Very high76.3Confident148 Ų14889.4 Ų89.456%0.55849%0.487SS*.EExtended strand (participates in β ladder)trans-87.2119.2175.2-180175.759.4104.22.8109.8V235 M278R233-V235 HydrophobicContact CG-CG1 4.25Å; R233-V235 VanDerWaalsContact NH1-CG1 3.33Å; R233-M278 PolarHBondContact N-O 3Å; R233-M278 WeakPolarHBondContact O-CB 3.46Å; R233-M278 PolarHBondContact O-N 2.74Å
234Y97.2Very high79Confident56 Ų5690.3 Ų90.322%0.2248%0.482CS..EExtended strand (participates in β ladder)trans-85.9130.1174.1-59-89.8000110.3I232 L276 A277 I317 N320 L321 K324I232-Y234 HydrophobicContact CG2-CE1 4.18Å; I232-Y234 HydrophobicContact CG2-CE2 3.9Å; Y234-L276 CarbonylContact C-O 3.55Å; Y234-L276 WeakPolarHBondContact CA-O 3.46Å; Y234-A277 HydrophobicContact CD1-CB 4Å; Y234-A277 HydrophobicContact CE1-CB 3.87Å; Y234-I317 HydrophobicContact CE1-CG2 4.21Å; Y234-N320 HydrophobicContact CE1-CB 3.66Å; Y234-N320 HydrophobicContact CE2-CB 4.18Å; Y234-N320 VanDerWaalsContact CZ-CB 3.49Å; Y234-N320 WeakPolarHBondContact OH-CB 3.35Å; Y234-L321 HydrophobicContact CD1-CD2 3.95Å; Y234-L321 HydrophobicContact CD1-CG 4.33Å; Y234-L321 HydrophobicContact CE1-CD2 4.31Å; Y234-L321 HydrophobicContact CE1-CG 4.18Å; Y234-K324 HydrophobicContact CD1-CD 4.33Å; Y234-K324 HydrophobicContact CG-CD 4.05Å
235V96.8Very high81.7Confident20 Ų2083.1 Ų83.112%0.12146%0.455CS..EExtended strand (participates in β ladder)trans-125.3156.6176.3-59.30000110.7R233 F275 L276 M278R233-V235 HydrophobicContact CG-CG1 4.25Å; R233-V235 VanDerWaalsContact NH1-CG1 3.33Å; V235-F275 CarbonylContact O-C 3.58Å; V235-F275 VanDerWaalsContact O-CA 3.31Å; V235-F275 WeakPolarHBondContact O-CA 3.31Å; V235-L276 HydrophobicContact CG2-CB 3.77Å; V235-L276 HydrophobicContact CG2-CD1 4.28Å; V235-L276 HydrophobicContact CG2-CG 4.34Å; V235-L276 PolarHBondContact N-O 3.25Å; V235-L276 PolarHBondContact O-N 2.7Å; V235-M278 HydrophobicContact CG1-CG 4.46Å; V235-M278 HydrophobicContact CG2-CG 3.93Å
236R96.9Very high84Confident112 Ų11278.9 Ų78.942%0.42342%0.42SS..EExtended strand (participates in β ladder)trans-79.2160166.2-174.6175-91.7149.8-4.4108.9Q272 C274 F275R236-Q272 PolarHBondContact NE-O 3.19Å; R236-C274 CarbonylContact C-O 3.56Å; R236-F275 HydrophobicContact CB-CD1 4.19Å; R236-F275 HydrophobicContact CB-CE1 4.09Å; R236-F275 HydrophobicContact CG-CE1 4.29Å
237Y96.4Very high86.2Confident16 Ų1672.2 Ų72.26%0.06339%0.39CS..  trans-70.5136.7169174.6-95000111S239 E240 Q242 I246 I267 P271 C274Y237-S239 WeakPolarHBondContact CE2-O 3.44Å; Y237-S239 VanDerWaalsContact CZ-C 3.48Å; Y237-S239 VanDerWaalsContact OH-C 3.27Å; Y237-S239 PolarHBondContact OH-O 3.26Å; Y237-E240 VanDerWaalsContact OH-CA 3.31Å; Y237-E240 WeakPolarHBondContact OH-CA 3.37Å; Y237-E240 PolarHBondContact OH-N 3.19Å; Y237-E240 VanDerWaalsContact OH-N 3.15Å; Y237-Q242 HydrophobicContact CD2-CB 4.19Å; Y237-Q242 HydrophobicContact CE2-CB 4.22Å; Y237-I246 HydrophobicContact CD2-CD1 3.83Å; Y237-I246 HydrophobicContact CE2-CD1 4.12Å; Y237-I267 HydrophobicContact CD1-CB 4.22Å; Y237-I267 HydrophobicContact CE1-CB 3.73Å; Y237-I267 HydrophobicContact CE1-CG1 4.26Å; Y237-I267 HydrophobicContact CE2-CB 4.28Å; Y237-I267 HydrophobicContact CE2-CD1 4.46Å; Y237-I267 HydrophobicContact CE2-CG2 4.4Å; Y237-I267 WeakPolarHBondContact OH-CD1 3.31Å; Y237-P271 HydrophobicContact CD1-CB 3.76Å; Y237-P271 HydrophobicContact CE1-CB 4.29Å; Y237-C274 HydrophobicContact CG-CB 4.39Å; Y237-C274 PolarHBondContact N-O 3.08Å
238E95.3Very high89Confident149 Ų14974 Ų7470%0.69637%0.374SS*.  trans-128.3-28.1-172-68.5166.3-177.800113.3
239S95.2Very high91.4Very high49 Ų4968.1 Ų68.134%0.34334%0.343SS..  trans-163.3150.7-169.9-176.10000113.2Y237 L241 Q242Y237-S239 WeakPolarHBondContact CE2-O 3.44Å; Y237-S239 VanDerWaalsContact CZ-C 3.48Å; Y237-S239 VanDerWaalsContact OH-C 3.27Å; Y237-S239 PolarHBondContact OH-O 3.26Å; S239-L241 PolarHBondContact O-N 2.8Å; S239-L241 PolarHBondContact OG-N 3.16Å; S239-Q242 WeakPolarHBondContact O-CB 3.31Å; S239-Q242 PolarHBondContact O-N 3.5Å
240E94.3Very high93.5Very high65 Ų6562.4 Ų62.430%0.30430%0.303SS..G310 helixtrans-56.7-20172.8-73.8-148.8147.200113.2Y237 Q242 M243 P244 R264 H268Y237-E240 VanDerWaalsContact OH-CA 3.31Å; Y237-E240 WeakPolarHBondContact OH-CA 3.37Å; Y237-E240 PolarHBondContact OH-N 3.19Å; Y237-E240 VanDerWaalsContact OH-N 3.15Å; E240-Q242 PolarHBondContact O-N 3.29Å; E240-Q242 VanDerWaalsContact O-N 3.14Å; E240-M243 HydrophobicContact CB-CE 3.96Å; E240-M243 HydrophobicContact CG-CE 3.66Å; E240-M243 WeakPolarHBondContact O-CB 3.12Å; E240-M243 PolarHBondContact O-N 3.35Å; E240-M243 WeakPolarHBondContact OE1-CE 3.36Å; E240-P244 WeakPolarHBondContact O-CD 3.42Å; E240-R264 IonicContact OE1-CZ 3.07Å; E240-R264 IonicContact OE1-NE 2.66Å; E240-R264 PolarHBondContact OE1-NE 2.89Å; E240-R264 IonicContact OE1-NH2 3.21Å; E240-R264 PolarHBondContact OE1-NH2 2.92Å; E240-R264 IonicContact OE2-CZ 3.09Å; E240-R264 IonicContact OE2-NE 3.41Å; E240-R264 IonicContact OE2-NH2 2.73Å; E240-R264 PolarHBondContact OE2-NH2 3.06Å; E240-H268 IonicContact OE1-CE1 2.7Å; E240-H268 PolarHBondContact OE1-CE1 3.07Å; E240-H268 IonicContact OE1-NE2 3.12Å; E240-H268 PolarHBondContact OE1-NE2 2.72Å
241L94.8Very high95Very high143 Ų14362.3 Ų62.375%0.74931%0.309SS*.G310 helixtrans-56.6-25.1171.3-63.2178.3000113.3S239S239-L241 PolarHBondContact O-N 2.8Å; S239-L241 PolarHBondContact OG-N 3.16Å
242Q95.2Very high95.1Very high19 Ų1964.9 Ų64.99%0.08931%0.305CS..G310 helixtrans-87.9-15.3176.2-58173-2900112.7Y237 S239 E240 W245 I246 L276Y237-Q242 HydrophobicContact CD2-CB 4.19Å; Y237-Q242 HydrophobicContact CE2-CB 4.22Å; S239-Q242 WeakPolarHBondContact O-CB 3.31Å; S239-Q242 PolarHBondContact O-N 3.5Å; E240-Q242 PolarHBondContact O-N 3.29Å; E240-Q242 VanDerWaalsContact O-N 3.14Å; Q242-W245 HydrophobicContact CB-CE3 4.01Å; Q242-W245 HydrophobicContact CB-CZ3 4.25Å; Q242-W245 HydrophobicContact CG-CE3 4.11Å; Q242-W245 HydrophobicContact CG-CZ3 3.83Å; Q242-W245 WeakPolarHBondContact O-CB 3.17Å; Q242-W245 PolarHBondContact O-N 2.82Å; Q242-W245 VanDerWaalsContact O-N 3.09Å; Q242-I246 PolarHBondContact O-N 2.81Å; Q242-L276 HydrophobicContact CB-CD1 3.91Å; Q242-L276 HydrophobicContact CG-CD1 4.2Å
243M94.6Very high94.8Very high9 Ų965.7 Ų65.74%0.04431%0.31CS..Hα-helixtrans-59.1-40.5-177.4-161.5-155.1-4200113.5E240 W245 I246 M247 I260 R264 I267E240-M243 HydrophobicContact CB-CE 3.96Å; E240-M243 HydrophobicContact CG-CE 3.66Å; E240-M243 WeakPolarHBondContact O-CB 3.12Å; E240-M243 PolarHBondContact O-N 3.35Å; E240-M243 WeakPolarHBondContact OE1-CE 3.36Å; M243-W245 PolarHBondContact O-N 2.87Å; M243-I246 WeakPolarHBondContact O-CB 3.1Å; M243-I246 PolarHBondContact O-N 2.84Å; M243-I246 VanDerWaalsContact O-N 3.12Å; M243-M247 HydrophobicContact CG-CG 4.28Å; M243-M247 HydrophobicContact CG-SD 4.13Å; M243-M247 WeakPolarHBondContact O-CG 3.37Å; M243-M247 PolarHBondContact O-N 3.18Å; M243-M247 HydrophobicContact SD-SD 3.87Å; M243-I260 HydrophobicContact CE-CD1 4.4Å; M243-I260 HydrophobicContact SD-CD1 3.45Å; M243-I260 WeakPolarHBondContact SD-CD1 3.23Å; M243-R264 HydrophobicContact CE-CG 4.03Å; M243-R264 HydrophobicContact SD-CG 4.46Å; M243-I267 HydrophobicContact CB-CD1 4.41Å; M243-I267 HydrophobicContact CE-CD1 3.87Å; M243-I267 HydrophobicContact CG-CD1 3.76Å; M243-I267 HydrophobicContact SD-CD1 4.07Å
244P95.8Very high94.5Very high79 Ų7961.3 Ų61.351%0.51330%0.297SS..Hα-helixtrans-58.2-31.3175.5-26.136.1000113.3E240 R248E240-P244 WeakPolarHBondContact O-CD 3.42Å; P244-R248 WeakPolarHBondContact O-CB 3.44Å; P244-R248 PolarHBondContact O-N 2.96Å
245W95.4Very high93.7Very high96 Ų9661.8 Ų61.836%0.36431%0.309SS..Hα-helixtrans-71.6-41.8176.4-56.6-24.6000112.2Q242 M243 R248 L249 L276 M278 C283Q242-W245 HydrophobicContact CB-CE3 4.01Å; Q242-W245 HydrophobicContact CB-CZ3 4.25Å; Q242-W245 HydrophobicContact CG-CE3 4.11Å; Q242-W245 HydrophobicContact CG-CZ3 3.83Å; Q242-W245 WeakPolarHBondContact O-CB 3.17Å; Q242-W245 PolarHBondContact O-N 2.82Å; Q242-W245 VanDerWaalsContact O-N 3.09Å; M243-W245 PolarHBondContact O-N 2.87Å; W245-R248 PolarHBondContact O-N 3.4Å; W245-L249 WeakPolarHBondContact O-CG 3.37Å; W245-L249 PolarHBondContact O-N 3.16Å; W245-L249 VanDerWaalsContact O-N 3.16Å; W245-L276 HydrophobicContact CE3-CD1 4.44Å; W245-M278 HydrophobicContact CE3-CE 4.08Å; W245-M278 HydrophobicContact CE3-SD 4.4Å; W245-M278 HydrophobicContact CH2-CE 4.2Å; W245-M278 HydrophobicContact CZ3-CE 3.72Å; W245-M278 HydrophobicContact CZ3-SD 4.33Å; W245-C283 HydrophobicContact CB-CB 3.65Å; W245-C283 HydrophobicContact CD2-CB 4.06Å; W245-C283 HydrophobicContact CE3-CB 4Å; W245-C283 HydrophobicContact CG-CB 3.95Å
246I95.4Very high93Very high1 Ų162.4 Ų62.41%0.00531%0.31CS..Hα-helixtrans-59.2-52.3174.1-64.9172.2000109.6Y237 Q242 M243 R248 L249 I250 Y263 I267 L276 A286 V288Y237-I246 HydrophobicContact CD2-CD1 3.83Å; Y237-I246 HydrophobicContact CE2-CD1 4.12Å; Q242-I246 PolarHBondContact O-N 2.81Å; M243-I246 WeakPolarHBondContact O-CB 3.1Å; M243-I246 PolarHBondContact O-N 2.84Å; M243-I246 VanDerWaalsContact O-N 3.12Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.39Å; I246-L249 PolarHBondContact O-N 3.43Å; I246-I250 HydrophobicContact CG2-CD1 3.61Å; I246-I250 WeakPolarHBondContact O-CB 3.47Å; I246-I250 PolarHBondContact O-N 3.19Å; I246-Y263 HydrophobicContact CG2-CD1 4.07Å; I246-Y263 HydrophobicContact CG2-CE1 4.23Å; I246-I267 HydrophobicContact CD1-CG2 4.48Å; I246-L276 HydrophobicContact CD1-CD2 3.94Å; I246-L276 HydrophobicContact CG1-CD2 3.55Å; I246-A286 HydrophobicContact CG1-CB 4.3Å; I246-V288 HydrophobicContact CG2-CG2 3.9Å
247M95.2Very high92.6Very high55 Ų5562.2 Ų62.227%0.27132%0.323SS..Hα-helixtrans-60.2-40.7178.8-66.1176.571.700112.2M243 L249 I250 T251 I260 Y263M243-M247 HydrophobicContact CG-CG 4.28Å; M243-M247 HydrophobicContact CG-SD 4.13Å; M243-M247 WeakPolarHBondContact O-CG 3.37Å; M243-M247 PolarHBondContact O-N 3.18Å; M243-M247 HydrophobicContact SD-SD 3.87Å; M247-L249 PolarHBondContact O-N 3.02Å; M247-I250 PolarHBondContact O-N 3.37Å; M247-T251 VanDerWaalsContact O-CB 3.23Å; M247-T251 WeakPolarHBondContact O-CB 3.38Å; M247-T251 PolarHBondContact O-N 3.19Å; M247-T251 PolarHBondContact O-OG1 3.07Å; M247-I260 HydrophobicContact CE-CD1 3.94Å; M247-I260 HydrophobicContact SD-CD1 3.77Å; M247-Y263 HydrophobicContact CE-CD2 4.25Å; M247-Y263 HydrophobicContact CE-CE2 4.09Å; M247-Y263 HydrophobicContact CG-CD1 4.06Å; M247-Y263 HydrophobicContact CG-CD2 3.88Å; M247-Y263 HydrophobicContact CG-CE1 3.95Å; M247-Y263 HydrophobicContact CG-CE2 3.78Å; M247-Y263 HydrophobicContact CG-CG 4.01Å; M247-Y263 HydrophobicContact SD-CD2 4.35Å
248R95.4Very high92.5Very high108 Ų10864.8 Ų64.841%0.40833%0.333SS..Hα-helixtrans-61.2-41.1178.4-179.6-17476.8144.18.6112.7P244 W245 I246 K252 E282 C283P244-R248 WeakPolarHBondContact O-CB 3.44Å; P244-R248 PolarHBondContact O-N 2.96Å; W245-R248 PolarHBondContact O-N 3.4Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.39Å; R248-K252 VanDerWaalsContact O-CB 3.29Å; R248-K252 WeakPolarHBondContact O-CB 3.38Å; R248-E282 IonicContact CZ-OE1 2.75Å; R248-E282 IonicContact NH1-OE1 2.77Å; R248-E282 PolarHBondContact NH1-OE1 2.9Å; R248-E282 IonicContact NH2-OE1 2.93Å; R248-E282 PolarHBondContact NH2-OE1 2.97Å; R248-C283 PolarHBondContact NH2-O 3.45Å
249L95Very high92.4Very high2 Ų260.1 Ų60.11%0.0132%0.317CS..Hα-helixtrans-73.8-47178.4-70.6167.9000111.1W245 I246 M247 K252 D253 A286 A307 D309W245-L249 WeakPolarHBondContact O-CG 3.37Å; W245-L249 PolarHBondContact O-N 3.16Å; W245-L249 VanDerWaalsContact O-N 3.16Å; I246-L249 PolarHBondContact O-N 3.43Å; M247-L249 PolarHBondContact O-N 3.02Å; L249-K252 PolarHBondContact O-N 2.91Å; L249-D253 WeakPolarHBondContact O-CB 3.4Å; L249-D253 PolarHBondContact O-N 3.12Å; L249-A286 HydrophobicContact CD1-CB 3.98Å; L249-A307 HydrophobicContact CB-CB 3.87Å; L249-D309 HydrophobicContact CD2-CB 4.03Å
250I93.9Very high92.4Very high0 Ų060.7 Ų60.70%032%0.316CS..Hα-helixtrans-68.6-46.8-174.5-75.1164.6000111.9I246 M247 K252 D253 L254 Y258 Y263 V288 M305 A307I246-I250 HydrophobicContact CG2-CD1 3.61Å; I246-I250 WeakPolarHBondContact O-CB 3.47Å; I246-I250 PolarHBondContact O-N 3.19Å; M247-I250 PolarHBondContact O-N 3.37Å; I250-K252 PolarHBondContact O-N 3.09Å; I250-K252 VanDerWaalsContact O-N 3.11Å; I250-D253 PolarHBondContact O-N 3.25Å; I250-L254 HydrophobicContact CG1-CD1 4.28Å; I250-L254 HydrophobicContact CG2-CD1 3.99Å; I250-L254 PolarHBondContact O-N 3.34Å; I250-Y258 HydrophobicContact CG2-CD2 3.54Å; I250-Y258 HydrophobicContact CG2-CE2 3.71Å; I250-Y263 HydrophobicContact CB-CE1 4.21Å; I250-Y263 HydrophobicContact CD1-CE1 3.94Å; I250-Y263 HydrophobicContact CG2-CE1 4Å; I250-Y263 VanDerWaalsContact CG2-OH 3.28Å; I250-Y263 WeakPolarHBondContact CG2-OH 3.5Å; I250-V288 HydrophobicContact CD1-CG2 4.28Å; I250-M305 HydrophobicContact CD1-CB 3.62Å; I250-M305 HydrophobicContact CD1-CE 4.48Å; I250-M305 HydrophobicContact CD1-CG 4.25Å; I250-M305 HydrophobicContact CD1-SD 3.84Å; I250-M305 HydrophobicContact CG1-CB 4.18Å; I250-M305 HydrophobicContact CG2-SD 3.95Å; I250-A307 HydrophobicContact CG1-CB 3.98Å
251T92.1Very high92.5Very high101 Ų10166 Ų6662%0.6233%0.334SS*.Hα-helixtrans-64.9-15.5177.7-46.20000113.1M247 Y263M247-T251 VanDerWaalsContact O-CB 3.23Å; M247-T251 WeakPolarHBondContact O-CB 3.38Å; M247-T251 PolarHBondContact O-N 3.19Å; M247-T251 PolarHBondContact O-OG1 3.07Å; T251-Y263 PolarHBondContact OG1-OH 2.98Å
252K92.1Very high92.5Very high110 Ų11061.3 Ų61.348%0.47831%0.312SS..Hα-helixtrans-92-38176.8172.7-175.4164176.20112.7R248 L249 I250 D309R248-K252 VanDerWaalsContact O-CB 3.29Å; R248-K252 WeakPolarHBondContact O-CB 3.38Å; L249-K252 PolarHBondContact O-N 2.91Å; I250-K252 PolarHBondContact O-N 3.09Å; I250-K252 VanDerWaalsContact O-N 3.11Å; K252-D309 IonicContact NZ-OD2 2.68Å; K252-D309 PolarHBondContact NZ-OD2 3.18Å
253D88.1Confident92.5Very high42 Ų4260.4 Ų60.423%0.22531%0.307CS..Hα-helixtrans-105-16.7-167.4-82.32.3000114.5L249 I250 A307 V308 R313L249-D253 WeakPolarHBondContact O-CB 3.4Å; L249-D253 PolarHBondContact O-N 3.12Å; I250-D253 PolarHBondContact O-N 3.25Å; D253-A307 HydrophobicContact CB-CB 3.98Å; D253-V308 PolarHBondContact OD2-N 3.39Å; D253-R313 IonicContact OD1-NH2 3.25Å; D253-R313 PolarHBondContact OD1-NH2 3.44Å; D253-R313 IonicContact OD2-CZ 3.41Å; D253-R313 IonicContact OD2-NH2 2.74Å; D253-R313 PolarHBondContact OD2-NH2 3.49Å
254L88.9Confident92.6Very high55 Ų5564.5 Ų64.529%0.28832%0.322SS..  trans-115.3146.8-177.8-72.4164.8000111.7I250 E256 Y258 M305I250-L254 HydrophobicContact CG1-CD1 4.28Å; I250-L254 HydrophobicContact CG2-CD1 3.99Å; I250-L254 PolarHBondContact O-N 3.34Å; L254-E256 VanDerWaalsContact C-N 3.32Å; L254-E256 PolarHBondContact O-N 3.49Å; L254-Y258 HydrophobicContact CD1-CE2 4.43Å; L254-M305 HydrophobicContact CD1-CB 4.17Å; L254-M305 HydrophobicContact CD1-CG 4.42Å
255S80.6Confident92.6Very high67 Ų6766 Ų6647%0.46932%0.318SS..SBendtrans-76.6-12.9-174.431.40000114.6E342S255-E342 PolarHBondContact OG-OE1 2.97Å
256E82.4Confident92.7Very high33 Ų3362.3 Ų62.315%0.15431%0.305CS..SBendtrans-104.2125.9-170.8-69.9-62.1156.100112.9L254 Y258 Y367 L368L254-E256 VanDerWaalsContact C-N 3.32Å; L254-E256 PolarHBondContact O-N 3.49Å; E256-Y258 HydrophobicContact CB-CE1 4.14Å; E256-Y258 HydrophobicContact CB-CE2 4.21Å; E256-Y258 WeakPolarHBondContact O-CD2 3.41Å; E256-Y258 WeakPolarHBondContact O-CE2 3.4Å; E256-Y258 PolarHBondContact O-N 2.89Å; E256-Y258 VanDerWaalsContact O-N 3.15Å; E256-Y367 HydrophobicContact CG-CD1 3.78Å; E256-Y367 HydrophobicContact CG-CE1 4.27Å; E256-Y367 WeakPolarHBondContact OE1-CA 3.32Å; E256-Y367 WeakPolarHBondContact OE1-CB 3.19Å; E256-Y367 WeakPolarHBondContact OE1-CD1 3.15Å; E256-L368 PolarHBondContact OE1-N 3.03Å; E256-L368 WeakPolarHBondContact OE2-CD1 3.42Å; E256-L368 VanDerWaalsContact OE2-CG 3.26Å; E256-L368 WeakPolarHBondContact OE2-CG 3.43Å
257P89.3Confident92.6Very high107 Ų10762.4 Ų62.470%0.69531%0.305SS*.  trans-81.593.5-177.932-34.1000112.1
258Y93.1Very high92.6Very high70 Ų7065 Ų6528%0.27532%0.317SS..  trans-75.7136.4179-57.2-68000113.9I250 L254 E256 T262 M305I250-Y258 HydrophobicContact CG2-CD2 3.54Å; I250-Y258 HydrophobicContact CG2-CE2 3.71Å; L254-Y258 HydrophobicContact CD1-CE2 4.43Å; E256-Y258 HydrophobicContact CB-CE1 4.14Å; E256-Y258 HydrophobicContact CB-CE2 4.21Å; E256-Y258 WeakPolarHBondContact O-CD2 3.41Å; E256-Y258 WeakPolarHBondContact O-CE2 3.4Å; E256-Y258 PolarHBondContact O-N 2.89Å; E256-Y258 VanDerWaalsContact O-N 3.15Å; Y258-T262 HydrophobicContact CD1-CG2 3.95Å; Y258-M305 HydrophobicContact CD1-SD 4.36Å; Y258-M305 HydrophobicContact CD2-CG 4.47Å; Y258-M305 HydrophobicContact CD2-SD 3.6Å; Y258-M305 HydrophobicContact CE1-SD 4.38Å; Y258-M305 HydrophobicContact CE2-CG 3.88Å; Y258-M305 HydrophobicContact CE2-SD 3.62Å; Y258-M305 HydrophobicContact CG-SD 3.98Å
259S94.4Very high92.7Very high52 Ų5264.3 Ų64.336%0.36432%0.321SS..  trans-72.4157.217380.90000112.2Y261 T262 Y263S259-Y261 PolarHBondContact O-N 3.16Å; S259-Y261 PolarHBondContact OG-N 2.86Å; S259-T262 PolarHBondContact N-OG1 3.42Å; S259-T262 VanDerWaalsContact O-CB 3.3Å; S259-T262 WeakPolarHBondContact O-CB 3.44Å; S259-T262 PolarHBondContact O-N 3.32Å; S259-T262 PolarHBondContact O-OG1 3.08Å; S259-T262 PolarHBondContact OG-N 3.07Å; S259-T262 VanDerWaalsContact OG-N 3.16Å; S259-T262 PolarHBondContact OG-OG1 2.94Å; S259-Y263 VanDerWaalsContact O-CD2 3.23Å; S259-Y263 WeakPolarHBondContact O-CD2 3.35Å; S259-Y263 PolarHBondContact O-N 3.29Å
260I94.2Very high92.8Very high60 Ų6065.6 Ų65.631%0.30833%0.326SS..Hα-helixtrans-55.1-33.5172.4-170.662.8000112.6M243 M247 T262 R264M243-I260 HydrophobicContact CE-CD1 4.4Å; M243-I260 HydrophobicContact SD-CD1 3.45Å; M243-I260 WeakPolarHBondContact SD-CD1 3.23Å; M247-I260 HydrophobicContact CE-CD1 3.94Å; M247-I260 HydrophobicContact SD-CD1 3.77Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-R264 WeakPolarHBondContact O-CB 3.48Å; I260-R264 WeakPolarHBondContact O-CG 3.27Å; I260-R264 PolarHBondContact O-N 3.34Å; I260-R264 VanDerWaalsContact O-N 3.08Å
261Y96.3Very high92.9Very high177 Ų17767.7 Ų67.769%0.69434%0.34SS*.Hα-helixtrans-68-33.1176.8-56-70.2000112.2S259 R264 Y265S259-Y261 PolarHBondContact O-N 3.16Å; S259-Y261 PolarHBondContact OG-N 2.86Å; Y261-R264 PolarHBondContact O-N 3.39Å; Y261-Y265 WeakPolarHBondContact O-CB 3.38Å; Y261-Y265 PolarHBondContact O-N 3.46Å
262T95.6Very high93.1Very high44 Ų4466.9 Ų66.927%0.2733%0.329SS..Hα-helixtrans-65.1-46.6177.1-47.30000110.9Y258 S259 I260 Y265 F266Y258-T262 HydrophobicContact CD1-CG2 3.95Å; S259-T262 PolarHBondContact N-OG1 3.42Å; S259-T262 VanDerWaalsContact O-CB 3.3Å; S259-T262 WeakPolarHBondContact O-CB 3.44Å; S259-T262 PolarHBondContact O-N 3.32Å; S259-T262 PolarHBondContact O-OG1 3.08Å; S259-T262 PolarHBondContact OG-N 3.07Å; S259-T262 VanDerWaalsContact OG-N 3.16Å; S259-T262 PolarHBondContact OG-OG1 2.94Å; I260-T262 VanDerWaalsContact C-N 3.33Å; T262-Y265 PolarHBondContact O-N 3.17Å; T262-F266 HydrophobicContact CG2-CE2 4.22Å; T262-F266 VanDerWaalsContact O-CD2 3.26Å; T262-F266 WeakPolarHBondContact O-CD2 3.44Å; T262-F266 PolarHBondContact O-N 3.49Å
263Y94.9Very high93.4Very high1 Ų161.7 Ų61.70%0.00431%0.306CS..Hα-helixtrans-61-49.6173.8-63.6-80.3000111.2I246 M247 I250 T251 S259 Y265 F266 I267 M305I246-Y263 HydrophobicContact CG2-CD1 4.07Å; I246-Y263 HydrophobicContact CG2-CE1 4.23Å; M247-Y263 HydrophobicContact CE-CD2 4.25Å; M247-Y263 HydrophobicContact CE-CE2 4.09Å; M247-Y263 HydrophobicContact CG-CD1 4.06Å; M247-Y263 HydrophobicContact CG-CD2 3.88Å; M247-Y263 HydrophobicContact CG-CE1 3.95Å; M247-Y263 HydrophobicContact CG-CE2 3.78Å; M247-Y263 HydrophobicContact CG-CG 4.01Å; M247-Y263 HydrophobicContact SD-CD2 4.35Å; I250-Y263 HydrophobicContact CB-CE1 4.21Å; I250-Y263 HydrophobicContact CD1-CE1 3.94Å; I250-Y263 HydrophobicContact CG2-CE1 4Å; I250-Y263 VanDerWaalsContact CG2-OH 3.28Å; I250-Y263 WeakPolarHBondContact CG2-OH 3.5Å; T251-Y263 PolarHBondContact OG1-OH 2.98Å; S259-Y263 VanDerWaalsContact O-CD2 3.23Å; S259-Y263 WeakPolarHBondContact O-CD2 3.35Å; S259-Y263 PolarHBondContact O-N 3.29Å; Y263-Y265 VanDerWaalsContact C-N 3.29Å; Y263-Y265 PolarHBondContact O-N 3.31Å; Y263-F266 PolarHBondContact O-N 2.89Å; Y263-I267 WeakPolarHBondContact O-CG1 3.43Å; Y263-I267 PolarHBondContact O-N 3.38Å; Y263-M305 HydrophobicContact CD1-CE 4.21Å; Y263-M305 HydrophobicContact CD1-SD 4.41Å; Y263-M305 HydrophobicContact CE1-CE 4.43Å; Y263-M305 HydrophobicContact CE1-SD 4.05Å
264R96.1Very high93.8Very high94 Ų9459.7 Ų59.736%0.35530%0.296SS..Hα-helixtrans-58.8-35.9179.1-78.7-177.6158.4147.70.5113.5E240 M243 I260 Y261 I267 H268E240-R264 IonicContact OE1-CZ 3.07Å; E240-R264 IonicContact OE1-NE 2.66Å; E240-R264 PolarHBondContact OE1-NE 2.89Å; E240-R264 IonicContact OE1-NH2 3.21Å; E240-R264 PolarHBondContact OE1-NH2 2.92Å; E240-R264 IonicContact OE2-CZ 3.09Å; E240-R264 IonicContact OE2-NE 3.41Å; E240-R264 IonicContact OE2-NH2 2.73Å; E240-R264 PolarHBondContact OE2-NH2 3.06Å; M243-R264 HydrophobicContact CE-CG 4.03Å; M243-R264 HydrophobicContact SD-CG 4.46Å; I260-R264 WeakPolarHBondContact O-CB 3.48Å; I260-R264 WeakPolarHBondContact O-CG 3.27Å; I260-R264 PolarHBondContact O-N 3.34Å; I260-R264 VanDerWaalsContact O-N 3.08Å; Y261-R264 PolarHBondContact O-N 3.39Å; R264-I267 HydrophobicContact CG-CD1 4.49Å; R264-H268 VanDerWaalsContact O-CB 3.32Å; R264-H268 WeakPolarHBondContact O-CB 3.49Å; R264-H268 PolarHBondContact O-N 2.69Å; R264-H268 PolarHBondContact O-ND1 2.96Å
265Y96.6Very high94.3Very high110 Ų11058 Ų5843%0.43129%0.286SS..Hα-helixtrans-60.6-47.8176.2172-102.9000111.7Y261 T262 Y263 N269 W270Y261-Y265 WeakPolarHBondContact O-CB 3.38Å; Y261-Y265 PolarHBondContact O-N 3.46Å; T262-Y265 PolarHBondContact O-N 3.17Å; Y263-Y265 VanDerWaalsContact C-N 3.29Å; Y263-Y265 PolarHBondContact O-N 3.31Å; Y265-N269 WeakPolarHBondContact O-CB 3.32Å; Y265-N269 PolarHBondContact O-N 3.36Å; Y265-N269 PolarHBondContact O-ND2 2.95Å; Y265-W270 HydrophobicContact CD1-CZ3 4.27Å; Y265-W270 HydrophobicContact CE1-CH2 4.12Å; Y265-W270 AromaticContact CE1-CZ3 3.71Å; Y265-W270 HydrophobicContact CE1-CZ3 3.71Å; Y265-W270 HydrophobicContact CE2-CZ3 4.47Å; Y265-W270 AromaticContact CZ-CH2 3.84Å; Y265-W270 AromaticContact CZ-CZ3 3.83Å
266F96.8Very high95.1Very high20 Ų2054.9 Ų54.99%0.08826%0.264CS..Hα-helixtrans-70.3-50.8179.2-71.6-73.7000112.6T262 Y263 H268 N269 W270 V288 K290 Y302 A304 M305T262-F266 HydrophobicContact CG2-CE2 4.22Å; T262-F266 VanDerWaalsContact O-CD2 3.26Å; T262-F266 WeakPolarHBondContact O-CD2 3.44Å; T262-F266 PolarHBondContact O-N 3.49Å; Y263-F266 PolarHBondContact O-N 2.89Å; F266-H268 VanDerWaalsContact C-N 3.3Å; F266-H268 PolarHBondContact O-N 3.09Å; F266-N269 PolarHBondContact O-N 2.99Å; F266-W270 HydrophobicContact CD1-CE3 4.21Å; F266-W270 HydrophobicContact CD1-CZ3 4.3Å; F266-W270 PolarHBondContact O-N 3.07Å; F266-V288 HydrophobicContact CB-CG1 3.33Å; F266-V288 HydrophobicContact CD1-CG1 4.38Å; F266-V288 HydrophobicContact CD2-CG1 4.16Å; F266-V288 HydrophobicContact CG-CG1 3.73Å; F266-K290 HydrophobicContact CD1-CB 4.06Å; F266-K290 HydrophobicContact CE1-CB 4.04Å; F266-K290 HydrophobicContact CE1-CD 4.17Å; F266-K290 HydrophobicContact CE1-CG 4.02Å; F266-Y302 HydrophobicContact CE1-CD1 4.42Å; F266-Y302 HydrophobicContact CZ-CE1 4.41Å; F266-A304 HydrophobicContact CD1-CB 4.2Å; F266-A304 HydrophobicContact CD2-CB 4.38Å; F266-A304 HydrophobicContact CE1-CB 3.61Å; F266-A304 HydrophobicContact CE2-CB 3.82Å; F266-A304 HydrophobicContact CZ-CB 3.4Å; F266-A304 VanDerWaalsContact CZ-CB 3.4Å; F266-M305 HydrophobicContact CD2-CE 3.85Å; F266-M305 HydrophobicContact CE2-CE 4.23Å
267I94.1Very high95.9Very high2 Ų253.3 Ų53.31%0.0126%0.256CS..Hα-helixtrans-72.6-18-170.771-161000114.2Y237 M243 I246 Y263 R264 P271Y237-I267 HydrophobicContact CD1-CB 4.22Å; Y237-I267 HydrophobicContact CE1-CB 3.73Å; Y237-I267 HydrophobicContact CE1-CG1 4.26Å; Y237-I267 HydrophobicContact CE2-CB 4.28Å; Y237-I267 HydrophobicContact CE2-CD1 4.46Å; Y237-I267 HydrophobicContact CE2-CG2 4.4Å; Y237-I267 WeakPolarHBondContact OH-CD1 3.31Å; M243-I267 HydrophobicContact CB-CD1 4.41Å; M243-I267 HydrophobicContact CE-CD1 3.87Å; M243-I267 HydrophobicContact CG-CD1 3.76Å; M243-I267 HydrophobicContact SD-CD1 4.07Å; I246-I267 HydrophobicContact CD1-CG2 4.48Å; Y263-I267 WeakPolarHBondContact O-CG1 3.43Å; Y263-I267 PolarHBondContact O-N 3.38Å; R264-I267 HydrophobicContact CG-CD1 4.49Å; I267-P271 WeakPolarHBondContact O-CB 3.34Å; I267-P271 WeakPolarHBondContact O-CD 3.34Å
268H94.9Very high96.2Very high110 Ų11048.5 Ų48.551%0.50923%0.225SC..Hα-helixtrans-91.5-32.7173.6-66.5135.3000113.7E240 R264 F266E240-H268 IonicContact OE1-CE1 2.7Å; E240-H268 PolarHBondContact OE1-CE1 3.07Å; E240-H268 IonicContact OE1-NE2 3.12Å; E240-H268 PolarHBondContact OE1-NE2 2.72Å; R264-H268 VanDerWaalsContact O-CB 3.32Å; R264-H268 WeakPolarHBondContact O-CB 3.49Å; R264-H268 PolarHBondContact O-N 2.69Å; R264-H268 PolarHBondContact O-ND1 2.96Å; F266-H268 VanDerWaalsContact C-N 3.3Å; F266-H268 PolarHBondContact O-N 3.09Å
269N96.5Very high96.3Very high93 Ų9346.6 Ų46.650%0.49722%0.22SC..Hα-helixtrans-86.8-29.5178.8-69.1-79.5000112.7Y265 F266Y265-N269 WeakPolarHBondContact O-CB 3.32Å; Y265-N269 PolarHBondContact O-N 3.36Å; Y265-N269 PolarHBondContact O-ND2 2.95Å; F266-N269 PolarHBondContact O-N 2.99Å
270W97.5Very high96.1Very high30 Ų3051.4 Ų51.411%0.11424%0.237CC..  trans-136.951180-54.4-85.1000114.1Y265 F266 Q272 L273 C274 K290 L291Y265-W270 HydrophobicContact CD1-CZ3 4.27Å; Y265-W270 HydrophobicContact CE1-CH2 4.12Å; Y265-W270 AromaticContact CE1-CZ3 3.71Å; Y265-W270 HydrophobicContact CE1-CZ3 3.71Å; Y265-W270 HydrophobicContact CE2-CZ3 4.47Å; Y265-W270 AromaticContact CZ-CH2 3.84Å; Y265-W270 AromaticContact CZ-CZ3 3.83Å; F266-W270 HydrophobicContact CD1-CE3 4.21Å; F266-W270 HydrophobicContact CD1-CZ3 4.3Å; F266-W270 PolarHBondContact O-N 3.07Å; W270-Q272 VanDerWaalsContact C-OE1 3.28Å; W270-Q272 PolarHBondContact O-N 3.36Å; W270-Q272 VanDerWaalsContact O-N 3.16Å; W270-L273 HydrophobicContact CB-CB 4.21Å; W270-L273 HydrophobicContact CB-CD1 3.97Å; W270-L273 HydrophobicContact CB-CG 4.14Å; W270-L273 HydrophobicContact CG-CD1 4.11Å; W270-L273 PolarHBondContact O-N 3.11Å; W270-L273 VanDerWaalsContact O-N 3.08Å; W270-C274 PolarHBondContact O-SG 2.93Å; W270-C274 VanDerWaalsContact O-SG 3.35Å; W270-K290 HydrophobicContact CD2-CB 3.38Å; W270-K290 HydrophobicContact CE3-CB 3.33Å; W270-K290 HydrophobicContact CG-CB 4.03Å; W270-K290 HydrophobicContact CH2-CB 3.8Å; W270-K290 HydrophobicContact CH2-CD 3.71Å; W270-K290 HydrophobicContact CH2-CG 4.42Å; W270-K290 HydrophobicContact CZ2-CB 3.82Å; W270-K290 HydrophobicContact CZ2-CD 4.1Å; W270-K290 HydrophobicContact CZ3-CB 3.55Å; W270-K290 HydrophobicContact CZ3-CD 4Å; W270-K290 HydrophobicContact CZ3-CG 4.43Å; W270-L291 PolarHBondContact NE1-O 3.04Å
271P96.5Very high95.9Very high44 Ų4456.1 Ų56.129%0.28626%0.258SS..G310 helixtrans-53.4-35.8175.422.9-33.6000112.6Y237 I267 L273 C274Y237-P271 HydrophobicContact CD1-CB 3.76Å; Y237-P271 HydrophobicContact CE1-CB 4.29Å; I267-P271 WeakPolarHBondContact O-CB 3.34Å; I267-P271 WeakPolarHBondContact O-CD 3.34Å; P271-L273 PolarHBondContact O-N 2.9Å; P271-C274 PolarHBondContact O-N 3.26Å
272Q96.2Very high95.8Very high84 Ų8451.6 Ų51.639%0.39324%0.243SC..G310 helixtrans-66.5-20.2-17975.1-74.87.900114.9R236 W270 F275R236-Q272 PolarHBondContact NE-O 3.19Å; W270-Q272 VanDerWaalsContact C-OE1 3.28Å; W270-Q272 PolarHBondContact O-N 3.36Å; W270-Q272 VanDerWaalsContact O-N 3.16Å; Q272-F275 WeakPolarHBondContact O-CZ 3.45Å
273L97.8Very high95.9Very high1 Ų149.5 Ų49.51%0.00523%0.23CC..G310 helixtrans-98.9-4178.5-54.5-177.6000113W270 P271 F275 C289 L291 A328 M329W270-L273 HydrophobicContact CB-CB 4.21Å; W270-L273 HydrophobicContact CB-CD1 3.97Å; W270-L273 HydrophobicContact CB-CG 4.14Å; W270-L273 HydrophobicContact CG-CD1 4.11Å; W270-L273 PolarHBondContact O-N 3.11Å; W270-L273 VanDerWaalsContact O-N 3.08Å; P271-L273 PolarHBondContact O-N 2.9Å; L273-F275 WeakPolarHBondContact O-CD2 3.46Å; L273-C289 HydrophobicContact CB-CB 3.86Å; L273-L291 HydrophobicContact CD1-CB 3.5Å; L273-L291 VanDerWaalsContact CD1-CB 3.5Å; L273-A328 HydrophobicContact CD2-CB 3.75Å; L273-A328 VanDerWaalsContact CD2-O 3.29Å; L273-A328 WeakPolarHBondContact CD2-O 3.35Å; L273-M329 HydrophobicContact CD1-CG 4.43Å; L273-M329 HydrophobicContact CD2-CG 4.29Å
274C97.9Very high96Very high0 Ų049.5 Ų49.50%023%0.23CC..  trans-94.9128.9178.3-61.80000109.6R236 Y237 W270 P271 I287R236-C274 CarbonylContact C-O 3.56Å; Y237-C274 HydrophobicContact CG-CB 4.39Å; Y237-C274 PolarHBondContact N-O 3.08Å; W270-C274 PolarHBondContact O-SG 2.93Å; W270-C274 VanDerWaalsContact O-SG 3.35Å; P271-C274 PolarHBondContact O-N 3.26Å; C274-I287 WeakPolarHBondContact CA-O 3.17Å
275F98.3Very high96.1Very high19 Ų1945 Ų458%0.08321%0.213CC..EExtended strand (participates in β ladder)trans-133.4146.6-177-61.6-89000111.9V235 R236 Q272 L273 A286 I287 L321 K324 A325 A328V235-F275 CarbonylContact O-C 3.58Å; V235-F275 VanDerWaalsContact O-CA 3.31Å; V235-F275 WeakPolarHBondContact O-CA 3.31Å; R236-F275 HydrophobicContact CB-CD1 4.19Å; R236-F275 HydrophobicContact CB-CE1 4.09Å; R236-F275 HydrophobicContact CG-CE1 4.29Å; Q272-F275 WeakPolarHBondContact O-CZ 3.45Å; L273-F275 WeakPolarHBondContact O-CD2 3.46Å; F275-A286 WeakPolarHBondContact O-CA 3.43Å; F275-I287 HydrophobicContact CB-CG2 3.81Å; F275-I287 HydrophobicContact CD2-CG2 4.26Å; F275-I287 PolarHBondContact N-O 2.97Å; F275-I287 PolarHBondContact O-N 2.94Å; F275-L321 HydrophobicContact CB-CD2 4.01Å; F275-K324 HydrophobicContact CD1-CB 4.47Å; F275-K324 HydrophobicContact CD2-CB 4.45Å; F275-K324 HydrophobicContact CG-CB 4.41Å; F275-A325 HydrophobicContact CD2-CB 4.41Å; F275-A328 HydrophobicContact CE2-CB 3.9Å; F275-A328 HydrophobicContact CZ-CB 3.77Å
276L98.1Very high96.1Very high1 Ų139.8 Ų39.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-121.7145.2-179.9-47.4175.2000109.9Y234 V235 Q242 W245 I246 M278 G285 A286Y234-L276 CarbonylContact C-O 3.55Å; Y234-L276 WeakPolarHBondContact CA-O 3.46Å; V235-L276 HydrophobicContact CG2-CB 3.77Å; V235-L276 HydrophobicContact CG2-CD1 4.28Å; V235-L276 HydrophobicContact CG2-CG 4.34Å; V235-L276 PolarHBondContact N-O 3.25Å; V235-L276 PolarHBondContact O-N 2.7Å; Q242-L276 HydrophobicContact CB-CD1 3.91Å; Q242-L276 HydrophobicContact CG-CD1 4.2Å; W245-L276 HydrophobicContact CE3-CD1 4.44Å; I246-L276 HydrophobicContact CD1-CD2 3.94Å; I246-L276 HydrophobicContact CG1-CD2 3.55Å; L276-M278 HydrophobicContact CB-SD 4.16Å; L276-G285 CarbonylContact C-O 3.5Å; L276-G285 WeakPolarHBondContact CA-O 3.41Å; L276-A286 HydrophobicContact CD2-CB 3.73Å
277A98.1Very high96.2Very high0 Ų038.8 Ų38.80%019%0.189CC..EExtended strand (participates in β ladder)trans-105.6116.1169.600000108.6I232 Y234 V284 G285 I317 L321I232-A277 HydrophobicContact CG2-CB 4.02Å; Y234-A277 HydrophobicContact CD1-CB 4Å; Y234-A277 HydrophobicContact CE1-CB 3.87Å; A277-V284 HydrophobicContact CB-CG2 4.27Å; A277-V284 WeakPolarHBondContact O-CG2 3.41Å; A277-V284 PolarHBondContact O-N 3.37Å; A277-G285 PolarHBondContact N-O 3.39Å; A277-G285 PolarHBondContact O-N 2.9Å; A277-I317 HydrophobicContact CB-CG2 3.45Å; A277-I317 VanDerWaalsContact CB-CG2 3.45Å; A277-L321 HydrophobicContact CB-CD1 4.36Å; A277-L321 HydrophobicContact CB-CD2 4.3Å; A277-L321 HydrophobicContact CB-CG 4.49Å
278M96.9Very high96.4Very high7 Ų738.7 Ų38.73%0.03419%0.188CC..EExtended strand (participates in β ladder)trans-106.8129.6-177.2-53.5-60.3-62.800110I232 R233 V235 W245 L276 Q281 E282 C283I232-M278 CarbonylContact C-O 3.54Å; I232-M278 WeakPolarHBondContact CA-O 3.15Å; R233-M278 PolarHBondContact N-O 3Å; R233-M278 WeakPolarHBondContact O-CB 3.46Å; R233-M278 PolarHBondContact O-N 2.74Å; V235-M278 HydrophobicContact CG1-CG 4.46Å; V235-M278 HydrophobicContact CG2-CG 3.93Å; W245-M278 HydrophobicContact CE3-CE 4.08Å; W245-M278 HydrophobicContact CE3-SD 4.4Å; W245-M278 HydrophobicContact CH2-CE 4.2Å; W245-M278 HydrophobicContact CZ3-CE 3.72Å; W245-M278 HydrophobicContact CZ3-SD 4.33Å; L276-M278 HydrophobicContact CB-SD 4.16Å; M278-Q281 WeakPolarHBondContact CE-O 3.43Å; M278-E282 CarbonylContact C-O 3.44Å; M278-E282 VanDerWaalsContact CA-O 3.31Å; M278-E282 WeakPolarHBondContact CA-O 3.49Å; M278-C283 HydrophobicContact CE-CB 3.95Å; M278-C283 HydrophobicContact SD-CB 3.61Å
279V95.3Very high96.6Very high29 Ų2933.5 Ų33.518%0.17616%0.164CC..EExtended strand (participates in β ladder)trans-108.4120.9163.6172.30000107.1G231 I232 Q281 E282 V284G231-V279 WeakPolarHBondContact O-CA 3.46Å; I232-V279 HydrophobicContact CB-CG2 4.37Å; I232-V279 HydrophobicContact CG1-CG2 3.68Å; V279-Q281 PolarHBondContact O-N 3.37Å; V279-E282 PolarHBondContact N-O 2.78Å; V279-E282 PolarHBondContact O-N 3.14Å; V279-V284 HydrophobicContact CB-CG1 3.96Å; V279-V284 HydrophobicContact CB-CG2 4.42Å; V279-V284 HydrophobicContact CG2-CG1 4.04Å; V279-V284 HydrophobicContact CG2-CG2 3.72Å
280E90.1Very high96.6Very high153 Ų15331.1 Ų31.172%0.71515%0.149SC*.THydrogen-bonded Turntrans54.1-103.3-170.7-59.8170.1-166.400111.7
281Q90.2Very high96.6Very high160 Ų16031 Ų3175%0.74815%0.15SC*.THydrogen-bonded Turntrans-115.2-1.9171.7-61.887.565.700113.5M278 V279M278-Q281 WeakPolarHBondContact CE-O 3.43Å; V279-Q281 PolarHBondContact O-N 3.37Å
282E94.1Very high96.5Very high81 Ų8132.1 Ų32.138%0.37915%0.154SC..EExtended strand (participates in β ladder)trans-87.7130.2176.5176.5155.8-123.600111.9R248 M278 V279 V284R248-E282 IonicContact CZ-OE1 2.75Å; R248-E282 IonicContact NH1-OE1 2.77Å; R248-E282 PolarHBondContact NH1-OE1 2.9Å; R248-E282 IonicContact NH2-OE1 2.93Å; R248-E282 PolarHBondContact NH2-OE1 2.97Å; M278-E282 CarbonylContact C-O 3.44Å; M278-E282 VanDerWaalsContact CA-O 3.31Å; M278-E282 WeakPolarHBondContact CA-O 3.49Å; V279-E282 PolarHBondContact N-O 2.78Å; V279-E282 PolarHBondContact O-N 3.14Å; E282-V284 HydrophobicContact CB-CG1 4.49Å; E282-V284 HydrophobicContact CG-CG1 3.97Å; E282-V284 PolarHBondContact O-N 2.88Å
283C96.6Very high96.3Very high1 Ų132.9 Ų32.91%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-77.5111.1167.2-176.70000110.3W245 R248 M278 G285W245-C283 HydrophobicContact CB-CB 3.65Å; W245-C283 HydrophobicContact CD2-CB 4.06Å; W245-C283 HydrophobicContact CE3-CB 4Å; W245-C283 HydrophobicContact CG-CB 3.95Å; R248-C283 PolarHBondContact NH2-O 3.45Å; M278-C283 HydrophobicContact CE-CB 3.95Å; M278-C283 HydrophobicContact SD-CB 3.61Å; C283-G285 PolarHBondContact SG-O 3.24Å
284V97.3Very high95.9Very high0 Ų035.9 Ų35.90%017%0.173CC..EExtended strand (participates in β ladder)trans-104.4-6.7-176.2-58.30000113.5A277 V279 E282 V308 D309 H312 I317A277-V284 HydrophobicContact CB-CG2 4.27Å; A277-V284 WeakPolarHBondContact O-CG2 3.41Å; A277-V284 PolarHBondContact O-N 3.37Å; V279-V284 HydrophobicContact CB-CG1 3.96Å; V279-V284 HydrophobicContact CB-CG2 4.42Å; V279-V284 HydrophobicContact CG2-CG1 4.04Å; V279-V284 HydrophobicContact CG2-CG2 3.72Å; E282-V284 HydrophobicContact CB-CG1 4.49Å; E282-V284 HydrophobicContact CG-CG1 3.97Å; E282-V284 PolarHBondContact O-N 2.88Å; V284-V308 CarbonylContact O-C 3.52Å; V284-V308 WeakPolarHBondContact O-CA 3.45Å; V284-D309 PolarHBondContact O-N 2.8Å; V284-H312 HydrophobicContact CB-CB 4.07Å; V284-H312 WeakPolarHBondContact CG1-ND1 3.47Å; V284-H312 HydrophobicContact CG2-CB 4.28Å; V284-I317 HydrophobicContact CG2-CD1 3.97Å
285G97.8Very high95.2Very high0 Ų043.5 Ų43.50%021%0.206CC..EExtended strand (participates in β ladder)trans-161.7151.3174.600000112L276 A277 C283 A307L276-G285 CarbonylContact C-O 3.5Å; L276-G285 WeakPolarHBondContact CA-O 3.41Å; A277-G285 PolarHBondContact N-O 3.39Å; A277-G285 PolarHBondContact O-N 2.9Å; C283-G285 PolarHBondContact SG-O 3.24Å; G285-A307 CarbonylContact C-O 3.57Å; G285-A307 VanDerWaalsContact CA-O 3.23Å; G285-A307 WeakPolarHBondContact CA-O 3.42Å
286A98.1Very high94.4Very high0 Ų052 Ų520%024%0.243CC..EExtended strand (participates in β ladder)trans-146.2142.9179.500000110.8I246 L249 F275 L276 L306 A307I246-A286 HydrophobicContact CG1-CB 4.3Å; L249-A286 HydrophobicContact CD1-CB 3.98Å; F275-A286 WeakPolarHBondContact O-CA 3.43Å; L276-A286 HydrophobicContact CD2-CB 3.73Å; A286-L306 WeakPolarHBondContact O-CA 3.14Å; A286-A307 PolarHBondContact N-O 3.08Å; A286-A307 PolarHBondContact O-N 3.43Å
287I98.4Very high93.7Very high0 Ų059.9 Ų59.90%028%0.282CS..EExtended strand (participates in β ladder)trans-127.2136.8168.4-164.8173.1000109.6C274 F275 I303 M305 L306 L321 V322 A325C274-I287 WeakPolarHBondContact CA-O 3.17Å; F275-I287 HydrophobicContact CB-CG2 3.81Å; F275-I287 HydrophobicContact CD2-CG2 4.26Å; F275-I287 PolarHBondContact N-O 2.97Å; F275-I287 PolarHBondContact O-N 2.94Å; I287-I303 HydrophobicContact CD1-CG2 3.92Å; I287-I303 HydrophobicContact CG1-CG2 4.01Å; I287-M305 WeakPolarHBondContact CA-O 3.34Å; I287-L306 HydrophobicContact CB-CD1 3.91Å; I287-L306 HydrophobicContact CD1-CD1 4.17Å; I287-L306 HydrophobicContact CG1-CB 4.41Å; I287-L306 HydrophobicContact CG1-CD1 4.03Å; I287-L321 HydrophobicContact CB-CB 4.11Å; I287-L321 HydrophobicContact CG2-CB 3.97Å; I287-L321 HydrophobicContact CG2-CD2 4.13Å; I287-V322 HydrophobicContact CD1-CB 4.3Å; I287-V322 HydrophobicContact CD1-CG2 3.71Å; I287-A325 HydrophobicContact CD1-CB 3.84Å; I287-A325 HydrophobicContact CG2-CB 4.39Å
288V98Very high93.4Very high0 Ų062.6 Ų62.60%029%0.294CS..EExtended strand (participates in β ladder)trans-128.9128.5-178.8-1790000108.5I246 I250 F266 A304 M305I246-V288 HydrophobicContact CG2-CG2 3.9Å; I250-V288 HydrophobicContact CD1-CG2 4.28Å; F266-V288 HydrophobicContact CB-CG1 3.33Å; F266-V288 HydrophobicContact CD1-CG1 4.38Å; F266-V288 HydrophobicContact CD2-CG1 4.16Å; F266-V288 HydrophobicContact CG-CG1 3.73Å; V288-A304 WeakPolarHBondContact O-CB 3.31Å; V288-A304 PolarHBondContact O-N 3.11Å; V288-M305 HydrophobicContact CB-CB 4.28Å; V288-M305 HydrophobicContact CB-CE 3.9Å; V288-M305 HydrophobicContact CG1-CE 3.68Å; V288-M305 HydrophobicContact CG2-CE 4.28Å; V288-M305 PolarHBondContact N-O 3.45Å; V288-M305 PolarHBondContact O-N 2.81Å
289C98.3Very high93.3Very high0 Ų066.7 Ų66.70%031%0.309CS..EExtended strand (participates in β ladder)trans-139.6165.4-166.3-72.90000111.9L273 Y302 M329L273-C289 HydrophobicContact CB-CB 3.86Å; C289-Y302 CarbonylContact C-O 3.6Å; C289-Y302 WeakPolarHBondContact CA-O 3.05Å; C289-M329 HydrophobicContact CB-CE 3.5Å; C289-M329 VanDerWaalsContact CB-CE 3.5Å
290K97.4Very high93.4Very high43 Ų4367.6 Ų67.619%0.18731%0.309CS..EExtended strand (participates in β ladder)trans-135.1164.7162.569.6165.4-171.2161.80112.2F266 W270 D292 G301 Y302F266-K290 HydrophobicContact CD1-CB 4.06Å; F266-K290 HydrophobicContact CE1-CB 4.04Å; F266-K290 HydrophobicContact CE1-CD 4.17Å; F266-K290 HydrophobicContact CE1-CG 4.02Å; W270-K290 HydrophobicContact CD2-CB 3.38Å; W270-K290 HydrophobicContact CE3-CB 3.33Å; W270-K290 HydrophobicContact CG-CB 4.03Å; W270-K290 HydrophobicContact CH2-CB 3.8Å; W270-K290 HydrophobicContact CH2-CD 3.71Å; W270-K290 HydrophobicContact CH2-CG 4.42Å; W270-K290 HydrophobicContact CZ2-CB 3.82Å; W270-K290 HydrophobicContact CZ2-CD 4.1Å; W270-K290 HydrophobicContact CZ3-CB 3.55Å; W270-K290 HydrophobicContact CZ3-CD 4Å; W270-K290 HydrophobicContact CZ3-CG 4.43Å; K290-D292 HydrophobicContact CD-CB 4.33Å; K290-D292 IonicContact NZ-OD2 3.14Å; K290-D292 PolarHBondContact NZ-OD2 3.04Å; K290-G301 WeakPolarHBondContact O-CA 3.25Å; K290-Y302 HydrophobicContact CG-CD1 4.15Å; K290-Y302 HydrophobicContact CG-CG 4.47Å; K290-Y302 PolarHBondContact N-O 2.92Å; K290-Y302 PolarHBondContact O-N 2.73Å
291L97.2Very high93.8Very high27 Ų2760.3 Ų60.314%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-136.2121.117117959.1000108.9W270 L273 R299 G332 C334W270-L291 PolarHBondContact NE1-O 3.04Å; L273-L291 HydrophobicContact CD1-CB 3.5Å; L273-L291 VanDerWaalsContact CD1-CB 3.5Å; L291-R299 HydrophobicContact CD1-CB 4Å; L291-G332 WeakPolarHBondContact CD2-O 3.47Å; L291-C334 HydrophobicContact CD1-CB 3.66Å
292D94.5Very high94.2Very high68 Ų6855.2 Ų55.236%0.36425%0.249SC..EExtended strand (participates in β ladder)trans-145.2153.5-163-161.9-4.2000111.2K290 H294 R300K290-D292 HydrophobicContact CD-CB 4.33Å; K290-D292 IonicContact NZ-OD2 3.14Å; K290-D292 PolarHBondContact NZ-OD2 3.04Å; D292-H294 PolarHBondContact O-N 3.4Å; D292-R300 PolarHBondContact N-O 3.32Å; D292-R300 PolarHBondContact O-N 3.3Å
293M92.4Very high94.4Very high101 Ų10151.6 Ų51.650%0.49823%0.233SC..EExtended strand (participates in β ladder)trans-83.2106.3-174.9-176.663.274.200110.6R299M293-R299 HydrophobicContact CE-CG 4Å; M293-R299 HydrophobicContact SD-CG 4.37Å
294H88.1Confident94.4Very high63 Ų6352.4 Ų52.429%0.29224%0.239SC..EExtended strand (participates in β ladder)trans-87.2131.7179.8-160.557.9000112D292 K296 M297 F298 R300D292-H294 PolarHBondContact O-N 3.4Å; H294-K296 PolarHBondContact O-N 3.29Å; H294-M297 PolarHBondContact O-N 2.62Å; H294-F298 HydrophobicContact CB-CD2 4.19Å; H294-F298 HydrophobicContact CB-CE2 3.89Å; H294-F298 HydrophobicContact CB-CZ 4.25Å; H294-F298 AromaticContact CD2-CE2 3.99Å; H294-F298 AromaticContact CD2-CZ 3.6Å; H294-F298 PolarHBondContact N-O 3.48Å; H294-F298 PolarHBondContact O-N 3.21Å; H294-R300 HydrophobicContact CB-CB 3.94Å; H294-R300 PolarHBondContact CD2-NH1 3.44Å; H294-R300 PolarHBondContact CD2-NH2 3.01Å; H294-R300 PolarHBondContact CE1-NH1 2.94Å; H294-R300 PolarHBondContact ND1-NH1 3.49Å; H294-R300 PolarHBondContact NE2-NH1 3.49Å
295K83.9Confident94.4Very high161 Ų16152.6 Ų52.670%0.724%0.24SC*.THydrogen-bonded Turntrans50.721.3-179.4-66.4-178.3175.9-170.70115.2M297K295-M297 PolarHBondContact O-N 2.8Å
296K82Confident94.4Very high197 Ų19754.1 Ų54.186%0.85725%0.248SC*.THydrogen-bonded Turntrans58.518.2-171.6-52.2179.9-179.3177.30114.6H294H294-K296 PolarHBondContact O-N 3.29Å
297M84.1Confident94.3Very high167 Ų16754.2 Ų54.282%0.82325%0.249SC*.THydrogen-bonded Turntrans-119.2-39.3-174.5-81.4-177.3150.400114.5H294 K295H294-M297 PolarHBondContact O-N 2.62Å; K295-M297 PolarHBondContact O-N 2.8Å
298F91.2Very high94.3Very high57 Ų5755 Ų5525%0.2525%0.254CS..EExtended strand (participates in β ladder)trans-144.4151.5-174.461.5-97.1000111.5H294 D335 E336H294-F298 HydrophobicContact CB-CD2 4.19Å; H294-F298 HydrophobicContact CB-CE2 3.89Å; H294-F298 HydrophobicContact CB-CZ 4.25Å; H294-F298 AromaticContact CD2-CE2 3.99Å; H294-F298 AromaticContact CD2-CZ 3.6Å; H294-F298 PolarHBondContact N-O 3.48Å; H294-F298 PolarHBondContact O-N 3.21Å; F298-D335 WeakPolarHBondContact CA-OD2 3.34Å; F298-D335 HydrophobicContact CB-CB 4.18Å; F298-D335 WeakPolarHBondContact CB-OD2 3.3Å; F298-E336 HydrophobicContact CD2-CG 4.07Å; F298-E336 HydrophobicContact CE2-CG 3.72Å
299R95Very high94.2Very high93 Ų9355.7 Ų55.735%0.35126%0.257SS..EExtended strand (participates in β ladder)trans-87.8124.4179.9-62-173.9-173.5164.613.3109.9L291 M293 G332 D333 D335L291-R299 HydrophobicContact CD1-CB 4Å; M293-R299 HydrophobicContact CE-CG 4Å; M293-R299 HydrophobicContact SD-CG 4.37Å; R299-G332 WeakPolarHBondContact CD-O 3.34Å; R299-G332 PolarHBondContact NH1-O 2.85Å; R299-D333 WeakPolarHBondContact CB-O 3.48Å; R299-D333 IonicContact CZ-OD2 2.7Å; R299-D333 VanDerWaalsContact CZ-OD2 3.31Å; R299-D333 IonicContact NH1-OD2 2.76Å; R299-D333 PolarHBondContact NH1-OD2 3.2Å; R299-D333 IonicContact NH2-OD2 3.14Å; R299-D333 PolarHBondContact NH2-OD2 2.8Å; R299-D335 PolarHBondContact N-OD2 3.3Å; R299-D335 PolarHBondContact O-N 2.84Å
300R97.2Very high93.9Very high48 Ų4859.1 Ų59.118%0.18128%0.281CS..EExtended strand (participates in β ladder)trans-108.5119.9-179.9174.6179.1-82.7159.67.1110.7D292 H294 E336 V338D292-R300 PolarHBondContact N-O 3.32Å; D292-R300 PolarHBondContact O-N 3.3Å; H294-R300 HydrophobicContact CB-CB 3.94Å; H294-R300 PolarHBondContact CD2-NH1 3.44Å; H294-R300 PolarHBondContact CD2-NH2 3.01Å; H294-R300 PolarHBondContact CE1-NH1 2.94Å; H294-R300 PolarHBondContact ND1-NH1 3.49Å; H294-R300 PolarHBondContact NE2-NH1 3.49Å; R300-E336 CarbonylContact C-O 3.54Å; R300-E336 WeakPolarHBondContact CA-O 3.44Å; R300-E336 IonicContact CZ-OE1 2.71Å; R300-E336 IonicContact NE-OE1 3.13Å; R300-E336 PolarHBondContact NE-OE1 3.17Å; R300-E336 IonicContact NH2-OE1 2.76Å; R300-E336 PolarHBondContact NH2-OE1 3.03Å; R300-V338 HydrophobicContact CG-CG2 3.92Å
301G98.1Very high93.8Very high0 Ų064.8 Ų64.80%031%0.306CS..EExtended strand (participates in β ladder)trans-75144.7165.700000110.8K290 C334 E336 V337 V338K290-G301 WeakPolarHBondContact O-CA 3.25Å; G301-C334 PolarHBondContact N-SG 3.31Å; G301-E336 PolarHBondContact N-O 3.38Å; G301-V337 WeakPolarHBondContact O-CA 3.37Å; G301-V338 PolarHBondContact O-N 2.81Å
302Y98.3Very high93.7Very high52 Ų5264.8 Ų64.820%0.20431%0.305CS..EExtended strand (participates in β ladder)trans-136.1125.2173.9176.5-112.5000110.6F266 C289 K290 A304 V338 E340F266-Y302 HydrophobicContact CE1-CD1 4.42Å; F266-Y302 HydrophobicContact CZ-CE1 4.41Å; C289-Y302 CarbonylContact C-O 3.6Å; C289-Y302 WeakPolarHBondContact CA-O 3.05Å; K290-Y302 HydrophobicContact CG-CD1 4.15Å; K290-Y302 HydrophobicContact CG-CG 4.47Å; K290-Y302 PolarHBondContact N-O 2.92Å; K290-Y302 PolarHBondContact O-N 2.73Å; Y302-A304 HydrophobicContact CD1-CB 3.83Å; Y302-A304 VanDerWaalsContact CE1-CA 3.44Å; Y302-A304 HydrophobicContact CE1-CB 3.5Å; Y302-V338 WeakPolarHBondContact CA-O 3.29Å; Y302-V338 HydrophobicContact CD2-CG2 4.18Å; Y302-V338 WeakPolarHBondContact CD2-O 3.36Å; Y302-E340 PolarHBondContact OH-OE2 3.48Å
303I98.4Very high93.6Very high6 Ų667 Ų673%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-90103.9171.9-55.5177.7000107.2I287 V322 M329 V337 V338 L339 Y352 F357I287-I303 HydrophobicContact CD1-CG2 3.92Å; I287-I303 HydrophobicContact CG1-CG2 4.01Å; I303-V322 HydrophobicContact CD1-CG1 3.82Å; I303-V322 HydrophobicContact CD1-CG2 4.42Å; I303-M329 HydrophobicContact CG1-CE 4.43Å; I303-V337 HydrophobicContact CD1-CG1 4.19Å; I303-V337 HydrophobicContact CG1-CG1 4Å; I303-V338 PolarHBondContact N-O 3.29Å; I303-V338 VanDerWaalsContact N-O 3.15Å; I303-L339 HydrophobicContact CB-CB 4.09Å; I303-L339 HydrophobicContact CB-CD2 4.37Å; I303-L339 HydrophobicContact CD1-CD2 3.99Å; I303-Y352 HydrophobicContact CD1-CE1 4.21Å; I303-F357 HydrophobicContact CD1-CZ 4.04Å
304A96.9Very high93.6Very high17 Ų1773.9 Ų73.914%0.1433%0.329CS..EExtended strand (participates in β ladder)trans-83-44.1-173.300000112.4F266 V288 Y302F266-A304 HydrophobicContact CD1-CB 4.2Å; F266-A304 HydrophobicContact CD2-CB 4.38Å; F266-A304 HydrophobicContact CE1-CB 3.61Å; F266-A304 HydrophobicContact CE2-CB 3.82Å; F266-A304 HydrophobicContact CZ-CB 3.4Å; F266-A304 VanDerWaalsContact CZ-CB 3.4Å; V288-A304 WeakPolarHBondContact O-CB 3.31Å; V288-A304 PolarHBondContact O-N 3.11Å; Y302-A304 HydrophobicContact CD1-CB 3.83Å; Y302-A304 VanDerWaalsContact CE1-CA 3.44Å; Y302-A304 HydrophobicContact CE1-CB 3.5Å
305M96.9Very high93.9Very high5 Ų575.1 Ų75.13%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-145.8134.4-176.8-61.5169.7-77.200109.7I250 L254 Y258 Y263 F266 I287 V288I250-M305 HydrophobicContact CD1-CB 3.62Å; I250-M305 HydrophobicContact CD1-CE 4.48Å; I250-M305 HydrophobicContact CD1-CG 4.25Å; I250-M305 HydrophobicContact CD1-SD 3.84Å; I250-M305 HydrophobicContact CG1-CB 4.18Å; I250-M305 HydrophobicContact CG2-SD 3.95Å; L254-M305 HydrophobicContact CD1-CB 4.17Å; L254-M305 HydrophobicContact CD1-CG 4.42Å; Y258-M305 HydrophobicContact CD1-SD 4.36Å; Y258-M305 HydrophobicContact CD2-CG 4.47Å; Y258-M305 HydrophobicContact CD2-SD 3.6Å; Y258-M305 HydrophobicContact CE1-SD 4.38Å; Y258-M305 HydrophobicContact CE2-CG 3.88Å; Y258-M305 HydrophobicContact CE2-SD 3.62Å; Y258-M305 HydrophobicContact CG-SD 3.98Å; Y263-M305 HydrophobicContact CD1-CE 4.21Å; Y263-M305 HydrophobicContact CD1-SD 4.41Å; Y263-M305 HydrophobicContact CE1-CE 4.43Å; Y263-M305 HydrophobicContact CE1-SD 4.05Å; F266-M305 HydrophobicContact CD2-CE 3.85Å; F266-M305 HydrophobicContact CE2-CE 4.23Å; I287-M305 WeakPolarHBondContact CA-O 3.34Å; V288-M305 HydrophobicContact CB-CB 4.28Å; V288-M305 HydrophobicContact CB-CE 3.9Å; V288-M305 HydrophobicContact CG1-CE 3.68Å; V288-M305 HydrophobicContact CG2-CE 4.28Å; V288-M305 PolarHBondContact N-O 3.45Å; V288-M305 PolarHBondContact O-N 2.81Å
306L97.7Very high94.4Very high31 Ų3170.7 Ų70.716%0.16232%0.323CS..EExtended strand (participates in β ladder)trans-137124.617317466.3000108.6A286 I287 L321 V322 L351 Y352A286-L306 WeakPolarHBondContact O-CA 3.14Å; I287-L306 HydrophobicContact CB-CD1 3.91Å; I287-L306 HydrophobicContact CD1-CD1 4.17Å; I287-L306 HydrophobicContact CG1-CB 4.41Å; I287-L306 HydrophobicContact CG1-CD1 4.03Å; L306-L321 HydrophobicContact CD1-CB 4.17Å; L306-L321 HydrophobicContact CD1-CD1 4.05Å; L306-V322 HydrophobicContact CD1-CG2 4.48Å; L306-V322 HydrophobicContact CD2-CG2 3.7Å; L306-L351 HydrophobicContact CD2-CD2 4.36Å; L306-Y352 HydrophobicContact CD2-CE1 4.34Å; L306-Y352 WeakPolarHBondContact CD2-OH 3.18Å
307A97.1Very high95.1Very high3 Ų361.5 Ų61.53%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-137.1145.3176.800000110.7L249 I250 D253 G285 A286L249-A307 HydrophobicContact CB-CB 3.87Å; I250-A307 HydrophobicContact CG1-CB 3.98Å; D253-A307 HydrophobicContact CB-CB 3.98Å; G285-A307 CarbonylContact C-O 3.57Å; G285-A307 VanDerWaalsContact CA-O 3.23Å; G285-A307 WeakPolarHBondContact CA-O 3.42Å; A286-A307 PolarHBondContact N-O 3.08Å; A286-A307 PolarHBondContact O-N 3.43Å
308V97.1Very high95.8Very high16 Ų1653.9 Ų53.910%0.09725%0.247CC..EExtended strand (participates in β ladder)trans-146.8118.5178.5177.30000107.7D253 V284 S310 R313 I317 L321D253-V308 PolarHBondContact OD2-N 3.39Å; V284-V308 CarbonylContact O-C 3.52Å; V284-V308 WeakPolarHBondContact O-CA 3.45Å; V308-S310 PolarHBondContact O-N 3.16Å; V308-R313 HydrophobicContact CB-CG 4.34Å; V308-R313 HydrophobicContact CG1-CG 4.06Å; V308-R313 WeakPolarHBondContact O-CG 3.45Å; V308-R313 PolarHBondContact O-NE 2.96Å; V308-R313 PolarHBondContact O-NH2 3.36Å; V308-I317 HydrophobicContact CG1-CB 3.96Å; V308-I317 HydrophobicContact CG1-CD1 4.32Å; V308-I317 HydrophobicContact CG1-CG2 4.12Å; V308-I317 HydrophobicContact CG2-CB 4.34Å; V308-I317 HydrophobicContact CG2-CG2 4.06Å; V308-L321 HydrophobicContact CG2-CD1 4.24Å
309D95.8Very high96.1Very high15 Ų1553.3 Ų53.38%0.0825%0.249CC..  trans-50.8134.1-175.5-175.8-86.9000111.6L249 K252 V284 K311 H312 R313L249-D309 HydrophobicContact CD2-CB 4.03Å; K252-D309 IonicContact NZ-OD2 2.68Å; K252-D309 PolarHBondContact NZ-OD2 3.18Å; V284-D309 PolarHBondContact O-N 2.8Å; D309-K311 PolarHBondContact O-N 3.5Å; D309-K311 VanDerWaalsContact OD1-CB 3.27Å; D309-K311 WeakPolarHBondContact OD1-CB 3.28Å; D309-K311 WeakPolarHBondContact OD1-CG 3.44Å; D309-K311 PolarHBondContact OD1-N 3.3Å; D309-H312 CarbonylContact O-C 3.53Å; D309-H312 WeakPolarHBondContact O-CA 3.22Å; D309-H312 PolarHBondContact O-N 3.09Å; D309-H312 IonicContact OD1-ND1 2.78Å; D309-R313 PolarHBondContact O-N 3.4Å; D309-R313 VanDerWaalsContact O-N 3.14Å
310S93.5Very high96.3Very high71 Ų7151.8 Ų51.850%0.49725%0.247SC..THydrogen-bonded Turntrans-53.7-29.6-174.750.40000114.6V308 H312V308-S310 PolarHBondContact O-N 3.16Å; S310-H312 VanDerWaalsContact C-N 3.28Å; S310-H312 PolarHBondContact O-N 3.19Å
311K94.4Very high96.3Very high162 Ų16249.5 Ų49.570%0.70424%0.239SC*.THydrogen-bonded Turntrans-72.3-19.6175.6-56.6173-178.4176.50113.5D309D309-K311 PolarHBondContact O-N 3.5Å; D309-K311 VanDerWaalsContact OD1-CB 3.27Å; D309-K311 WeakPolarHBondContact OD1-CB 3.28Å; D309-K311 WeakPolarHBondContact OD1-CG 3.44Å; D309-K311 PolarHBondContact OD1-N 3.3Å
312H94.3Very high96.3Very high28 Ų2849.5 Ų49.513%0.1324%0.239CC..THydrogen-bonded Turntrans-113.9-1.4-173-66.394.6000113.5V284 D309 S310 I317V284-H312 HydrophobicContact CB-CB 4.07Å; V284-H312 WeakPolarHBondContact CG1-ND1 3.47Å; V284-H312 HydrophobicContact CG2-CB 4.28Å; D309-H312 CarbonylContact O-C 3.53Å; D309-H312 WeakPolarHBondContact O-CA 3.22Å; D309-H312 PolarHBondContact O-N 3.09Å; D309-H312 IonicContact OD1-ND1 2.78Å; S310-H312 VanDerWaalsContact C-N 3.28Å; S310-H312 PolarHBondContact O-N 3.19Å; H312-I317 HydrophobicContact CB-CD1 3.83Å; H312-I317 WeakPolarHBondContact O-CD1 3.48Å
313R93.5Very high96.3Very high115 Ų11549.8 Ų49.843%0.43424%0.241SC..THydrogen-bonded Turntrans-60.7165.8170.4-67.2-178.5-169.9174.55.4111.5D253 V308 D309 K315D253-R313 IonicContact OD1-NH2 3.25Å; D253-R313 PolarHBondContact OD1-NH2 3.44Å; D253-R313 IonicContact OD2-CZ 3.41Å; D253-R313 IonicContact OD2-NH2 2.74Å; D253-R313 PolarHBondContact OD2-NH2 3.49Å; V308-R313 HydrophobicContact CB-CG 4.34Å; V308-R313 HydrophobicContact CG1-CG 4.06Å; V308-R313 WeakPolarHBondContact O-CG 3.45Å; V308-R313 PolarHBondContact O-NE 2.96Å; V308-R313 PolarHBondContact O-NH2 3.36Å; D309-R313 PolarHBondContact O-N 3.4Å; D309-R313 VanDerWaalsContact O-N 3.14Å; R313-K315 PolarHBondContact O-N 2.94Å
314R91.9Very high96.4Very high244 Ų24453.5 Ų53.592%0.92126%0.257SS*.THydrogen-bonded Turntrans64.2-13.3-174.1-55.6-59.3-59.6-94.3-4.4116.3S316R314-S316 PolarHBondContact O-N 3.28Å; R314-S316 VanDerWaalsContact O-N 3.09Å
315K93.8Very high96.4Very high90 Ų9052.7 Ų52.739%0.39125%0.25SS..SBendtrans-78.731.8170-55-176.3-179-174.30113.9I232 R313 I317I232-K315 HydrophobicContact CD1-CB 4.16Å; I232-K315 HydrophobicContact CD1-CD 4.36Å; R313-K315 PolarHBondContact O-N 2.94Å; K315-I317 HydrophobicContact CB-CG1 4.22Å; K315-I317 PolarHBondContact O-N 2.83Å
316S95.4Very high96.5Very high68 Ų6853.1 Ų53.148%0.47625%0.252SS..SBendtrans5116.5-178.6-58.30000117.7R314 G318 T319 N320R314-S316 PolarHBondContact O-N 3.28Å; R314-S316 VanDerWaalsContact O-N 3.09Å; S316-G318 PolarHBondContact O-N 3.2Å; S316-T319 WeakPolarHBondContact O-CB 3.4Å; S316-T319 PolarHBondContact O-N 3.06Å; S316-N320 PolarHBondContact O-N 2.88Å; S316-N320 PolarHBondContact O-ND2 2.75Å
317I97.4Very high96.5Very high3 Ų356.5 Ų56.52%0.01526%0.264CS..Hα-helixtrans-61.3-49.6-174.6-58.5-174.3000112.2I232 Y234 A277 V284 V308 H312 K315 T319 N320 L321I232-I317 HydrophobicContact CD1-CD1 3.81Å; I232-I317 HydrophobicContact CD1-CG1 3.9Å; I232-I317 HydrophobicContact CG1-CD1 4.19Å; I232-I317 HydrophobicContact CG2-CD1 4.14Å; I232-I317 HydrophobicContact CG2-CG1 4.27Å; Y234-I317 HydrophobicContact CE1-CG2 4.21Å; A277-I317 HydrophobicContact CB-CG2 3.45Å; A277-I317 VanDerWaalsContact CB-CG2 3.45Å; V284-I317 HydrophobicContact CG2-CD1 3.97Å; V308-I317 HydrophobicContact CG1-CB 3.96Å; V308-I317 HydrophobicContact CG1-CD1 4.32Å; V308-I317 HydrophobicContact CG1-CG2 4.12Å; V308-I317 HydrophobicContact CG2-CB 4.34Å; V308-I317 HydrophobicContact CG2-CG2 4.06Å; H312-I317 HydrophobicContact CB-CD1 3.83Å; H312-I317 WeakPolarHBondContact O-CD1 3.48Å; K315-I317 HydrophobicContact CB-CG1 4.22Å; K315-I317 PolarHBondContact O-N 2.83Å; I317-T319 VanDerWaalsContact C-N 3.3Å; I317-T319 PolarHBondContact O-N 3.32Å; I317-N320 PolarHBondContact O-N 2.95Å; I317-N320 VanDerWaalsContact O-N 3.17Å; I317-L321 HydrophobicContact CG2-CD1 3.93Å; I317-L321 HydrophobicContact CG2-CG 4.32Å; I317-L321 WeakPolarHBondContact O-CG 3.47Å; I317-L321 PolarHBondContact O-N 2.93Å
318G97.6Very high96.5Very high8 Ų856.8 Ų56.88%0.08227%0.266CS..Hα-helixtrans-60.4-40.3179.300000112.3S316 N320 L321 V322S316-G318 PolarHBondContact O-N 3.2Å; G318-N320 PolarHBondContact O-N 3.15Å; G318-L321 PolarHBondContact O-N 2.77Å; G318-V322 VanDerWaalsContact O-CG2 3.28Å; G318-V322 WeakPolarHBondContact O-CG2 3.4Å; G318-V322 PolarHBondContact O-N 2.95Å
319T98Very high96.6Very high45 Ų4556 Ų5628%0.27626%0.261SS..Hα-helixtrans-61-42.8175.8-47.90000111.7S316 I317 K323 L355S316-T319 WeakPolarHBondContact O-CB 3.4Å; S316-T319 PolarHBondContact O-N 3.06Å; I317-T319 VanDerWaalsContact C-N 3.3Å; I317-T319 PolarHBondContact O-N 3.32Å; T319-K323 WeakPolarHBondContact O-CB 3.26Å; T319-K323 WeakPolarHBondContact O-CG 3.28Å; T319-K323 PolarHBondContact O-N 3.18Å; T319-L355 HydrophobicContact CG2-CD1 4.26Å; T319-L355 HydrophobicContact CG2-CD2 3.86Å; T319-L355 HydrophobicContact CG2-CG 4.24Å
320N98.2Very high96.6Very high60 Ų6058.9 Ų58.932%0.32128%0.279SS..Hα-helixtrans-71-38.8177.5-80-74.2000113.1Y234 S316 I317 G318 K324Y234-N320 HydrophobicContact CE1-CB 3.66Å; Y234-N320 HydrophobicContact CE2-CB 4.18Å; Y234-N320 VanDerWaalsContact CZ-CB 3.49Å; Y234-N320 WeakPolarHBondContact OH-CB 3.35Å; S316-N320 PolarHBondContact O-N 2.88Å; S316-N320 PolarHBondContact O-ND2 2.75Å; I317-N320 PolarHBondContact O-N 2.95Å; I317-N320 VanDerWaalsContact O-N 3.17Å; G318-N320 PolarHBondContact O-N 3.15Å; N320-K324 WeakPolarHBondContact O-CB 3.41Å; N320-K324 WeakPolarHBondContact O-CG 3.47Å; N320-K324 PolarHBondContact O-N 3.24Å
321L98.6Very high96.7Very high0 Ų062.3 Ų62.30%029%0.287CS..Hα-helixtrans-61.3-47173.7-74.8171.4000111.2Y234 F275 A277 I287 L306 V308 I317 G318 K324 A325Y234-L321 HydrophobicContact CD1-CD2 3.95Å; Y234-L321 HydrophobicContact CD1-CG 4.33Å; Y234-L321 HydrophobicContact CE1-CD2 4.31Å; Y234-L321 HydrophobicContact CE1-CG 4.18Å; F275-L321 HydrophobicContact CB-CD2 4.01Å; A277-L321 HydrophobicContact CB-CD1 4.36Å; A277-L321 HydrophobicContact CB-CD2 4.3Å; A277-L321 HydrophobicContact CB-CG 4.49Å; I287-L321 HydrophobicContact CB-CB 4.11Å; I287-L321 HydrophobicContact CG2-CB 3.97Å; I287-L321 HydrophobicContact CG2-CD2 4.13Å; L306-L321 HydrophobicContact CD1-CB 4.17Å; L306-L321 HydrophobicContact CD1-CD1 4.05Å; V308-L321 HydrophobicContact CG2-CD1 4.24Å; I317-L321 HydrophobicContact CG2-CD1 3.93Å; I317-L321 HydrophobicContact CG2-CG 4.32Å; I317-L321 WeakPolarHBondContact O-CG 3.47Å; I317-L321 PolarHBondContact O-N 2.93Å; G318-L321 PolarHBondContact O-N 2.77Å; L321-K324 PolarHBondContact O-N 3.15Å; L321-A325 PolarHBondContact O-N 2.86Å
322V98.6Very high96.8Very high0 Ų055.4 Ų55.40%026%0.262CS..Hα-helixtrans-65.3-44.6177.9176.30000111.3I287 I303 L306 G318 K324 A325 I326 L351 Y352 L355 F357I287-V322 HydrophobicContact CD1-CB 4.3Å; I287-V322 HydrophobicContact CD1-CG2 3.71Å; I303-V322 HydrophobicContact CD1-CG1 3.82Å; I303-V322 HydrophobicContact CD1-CG2 4.42Å; L306-V322 HydrophobicContact CD1-CG2 4.48Å; L306-V322 HydrophobicContact CD2-CG2 3.7Å; G318-V322 VanDerWaalsContact O-CG2 3.28Å; G318-V322 WeakPolarHBondContact O-CG2 3.4Å; G318-V322 PolarHBondContact O-N 2.95Å; V322-K324 VanDerWaalsContact C-N 3.34Å; V322-K324 PolarHBondContact O-N 3.46Å; V322-A325 PolarHBondContact O-N 3.5Å; V322-I326 HydrophobicContact CG1-CD1 3.66Å; V322-I326 HydrophobicContact CG1-CG1 4.31Å; V322-I326 VanDerWaalsContact O-CG1 3.31Å; V322-I326 WeakPolarHBondContact O-CG1 3.34Å; V322-I326 PolarHBondContact O-N 3.25Å; V322-L351 HydrophobicContact CG2-CD2 4.18Å; V322-Y352 HydrophobicContact CG1-CD1 4.49Å; V322-Y352 HydrophobicContact CG1-CE1 4.29Å; V322-Y352 HydrophobicContact CG2-CE1 3.78Å; V322-L355 HydrophobicContact CB-CD1 3.82Å; V322-L355 HydrophobicContact CG1-CD1 3.58Å; V322-F357 HydrophobicContact CG1-CE2 4.3Å
323K98.3Very high96.8Very high59 Ų5958 Ų5826%0.25728%0.277SS..Hα-helixtrans-56.1-45.8173.4-80.2-168.2173.6-163.50112T319 I326 Y327 L355T319-K323 WeakPolarHBondContact O-CB 3.26Å; T319-K323 WeakPolarHBondContact O-CG 3.28Å; T319-K323 PolarHBondContact O-N 3.18Å; K323-I326 PolarHBondContact O-N 2.98Å; K323-Y327 HydrophobicContact CB-CE2 4.23Å; K323-Y327 WeakPolarHBondContact O-CD2 3.23Å; K323-Y327 PolarHBondContact O-N 3.4Å; K323-L355 HydrophobicContact CG-CD2 3.91Å
324K98.4Very high96.9Very high84 Ų8452.9 Ų52.937%0.36526%0.259SS..Hα-helixtrans-64.9-38.7178.6-75.7177.5179.5-67.20113Y234 F275 N320 L321 V322 A328Y234-K324 HydrophobicContact CD1-CD 4.33Å; Y234-K324 HydrophobicContact CG-CD 4.05Å; F275-K324 HydrophobicContact CD1-CB 4.47Å; F275-K324 HydrophobicContact CD2-CB 4.45Å; F275-K324 HydrophobicContact CG-CB 4.41Å; N320-K324 WeakPolarHBondContact O-CB 3.41Å; N320-K324 WeakPolarHBondContact O-CG 3.47Å; N320-K324 PolarHBondContact O-N 3.24Å; L321-K324 PolarHBondContact O-N 3.15Å; V322-K324 VanDerWaalsContact C-N 3.34Å; V322-K324 PolarHBondContact O-N 3.46Å; K324-A328 WeakPolarHBondContact O-CB 3.3Å; K324-A328 PolarHBondContact O-N 2.84Å; K324-A328 VanDerWaalsContact O-N 3.11Å
325A98.4Very high97.2Very high0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-65-42.5172.700000112.3F275 I287 L321 V322 A328 M329F275-A325 HydrophobicContact CD2-CB 4.41Å; I287-A325 HydrophobicContact CD1-CB 3.84Å; I287-A325 HydrophobicContact CG2-CB 4.39Å; L321-A325 PolarHBondContact O-N 2.86Å; V322-A325 PolarHBondContact O-N 3.5Å; A325-A328 PolarHBondContact O-N 3.05Å; A325-M329 VanDerWaalsContact O-CG 3.25Å; A325-M329 WeakPolarHBondContact O-CG 3.49Å; A325-M329 PolarHBondContact O-N 3.13Å
326I98.2Very high97.3Very high13 Ų1339.2 Ų39.27%0.06721%0.208CC..Hα-helixtrans-63.3-45.8177.2-68.1164.4000111V322 K323 A328 M329 V330 F357 L378 L380V322-I326 HydrophobicContact CG1-CD1 3.66Å; V322-I326 HydrophobicContact CG1-CG1 4.31Å; V322-I326 VanDerWaalsContact O-CG1 3.31Å; V322-I326 WeakPolarHBondContact O-CG1 3.34Å; V322-I326 PolarHBondContact O-N 3.25Å; K323-I326 PolarHBondContact O-N 2.98Å; I326-A328 VanDerWaalsContact C-N 3.34Å; I326-A328 PolarHBondContact O-N 3.01Å; I326-M329 WeakPolarHBondContact O-CA 3.23Å; I326-M329 WeakPolarHBondContact O-CB 3.29Å; I326-M329 PolarHBondContact O-N 3.22Å; I326-V330 HydrophobicContact CG2-CG2 4.39Å; I326-V330 WeakPolarHBondContact O-CG2 3.45Å; I326-V330 PolarHBondContact O-N 3.14Å; I326-F357 HydrophobicContact CD1-CE2 3.9Å; I326-F357 HydrophobicContact CD1-CZ 4.12Å; I326-L378 HydrophobicContact CD1-CD2 3.79Å; I326-L378 HydrophobicContact CG1-CD2 4.48Å; I326-L378 HydrophobicContact CG2-CD2 4.44Å; I326-L380 HydrophobicContact CG2-CD2 4.04Å
327Y98Very high97.4Very high103 Ų10336 Ų3640%0.40419%0.185SC..Hα-helixtrans-59.7-43.9176.2-66.1-46.4000112K323 M329 V330 E331K323-Y327 HydrophobicContact CB-CE2 4.23Å; K323-Y327 WeakPolarHBondContact O-CD2 3.23Å; K323-Y327 PolarHBondContact O-N 3.4Å; Y327-M329 VanDerWaalsContact C-N 3.25Å; Y327-M329 PolarHBondContact O-N 2.86Å; Y327-V330 PolarHBondContact O-N 2.9Å; Y327-V330 VanDerWaalsContact O-N 3.16Å; Y327-E331 WeakPolarHBondContact O-CG 3.46Å; Y327-E331 PolarHBondContact O-N 3.12Å
328A97.9Very high97.5Very high8 Ų836.1 Ų36.17%0.06619%0.186CC..Hα-helixtrans-68.9-19.9175.600000114.1L273 F275 K324 A325 I326L273-A328 HydrophobicContact CD2-CB 3.75Å; L273-A328 VanDerWaalsContact CD2-O 3.29Å; L273-A328 WeakPolarHBondContact CD2-O 3.35Å; F275-A328 HydrophobicContact CE2-CB 3.9Å; F275-A328 HydrophobicContact CZ-CB 3.77Å; K324-A328 WeakPolarHBondContact O-CB 3.3Å; K324-A328 PolarHBondContact O-N 2.84Å; K324-A328 VanDerWaalsContact O-N 3.11Å; A325-A328 PolarHBondContact O-N 3.05Å; I326-A328 VanDerWaalsContact C-N 3.34Å; I326-A328 PolarHBondContact O-N 3.01Å
329M97.4Very high97.5Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-78.3-40.9168.6-72.2170.7-176.900111.4L273 C289 I303 A325 I326 Y327 E331 G332 C334 V337L273-M329 HydrophobicContact CD1-CG 4.43Å; L273-M329 HydrophobicContact CD2-CG 4.29Å; C289-M329 HydrophobicContact CB-CE 3.5Å; C289-M329 VanDerWaalsContact CB-CE 3.5Å; I303-M329 HydrophobicContact CG1-CE 4.43Å; A325-M329 VanDerWaalsContact O-CG 3.25Å; A325-M329 WeakPolarHBondContact O-CG 3.49Å; A325-M329 PolarHBondContact O-N 3.13Å; I326-M329 WeakPolarHBondContact O-CA 3.23Å; I326-M329 WeakPolarHBondContact O-CB 3.29Å; I326-M329 PolarHBondContact O-N 3.22Å; Y327-M329 VanDerWaalsContact C-N 3.25Å; Y327-M329 PolarHBondContact O-N 2.86Å; M329-E331 VanDerWaalsContact C-N 3.35Å; M329-G332 CarbonylContact O-C 3.54Å; M329-G332 WeakPolarHBondContact O-CA 3.35Å; M329-G332 PolarHBondContact O-N 3.35Å; M329-C334 VanDerWaalsContact C-CB 3.46Å; M329-C334 HydrophobicContact CB-CB 3.7Å; M329-C334 WeakPolarHBondContact O-CB 3.39Å; M329-C334 PolarHBondContact O-N 3.36Å; M329-C334 VanDerWaalsContact O-N 3.07Å; M329-V337 HydrophobicContact CE-CG1 4.45Å; M329-V337 HydrophobicContact SD-CB 4.4Å; M329-V337 HydrophobicContact SD-CG1 3.82Å; M329-V337 HydrophobicContact SD-CG2 3.65Å
330V96.8Very high97.5Very high75 Ų7534.7 Ų34.746%0.45517%0.174SC..Hα-helixtrans-62.8-40.3174.5171.90000111.1I326 Y327 G332 D333 L380I326-V330 HydrophobicContact CG2-CG2 4.39Å; I326-V330 WeakPolarHBondContact O-CG2 3.45Å; I326-V330 PolarHBondContact O-N 3.14Å; Y327-V330 PolarHBondContact O-N 2.9Å; Y327-V330 VanDerWaalsContact O-N 3.16Å; V330-G332 PolarHBondContact O-N 2.88Å; V330-G332 VanDerWaalsContact O-N 3.08Å; V330-D333 PolarHBondContact O-N 3.44Å; V330-L380 HydrophobicContact CG2-CD1 3.78Å; V330-L380 HydrophobicContact CG2-CD2 4.28Å
331E96.4Very high97.4Very high143 Ų14332.5 Ų32.567%0.66816%0.163SC*.THydrogen-bonded Turntrans-55.6-20.7168.9-74.3169.2-164.800113.2Y327 M329Y327-E331 WeakPolarHBondContact O-CG 3.46Å; Y327-E331 PolarHBondContact O-N 3.12Å; M329-E331 VanDerWaalsContact C-N 3.35Å
332G94.9Very high97.3Very high17 Ų1734 Ų3418%0.17517%0.17CC..THydrogen-bonded Turntrans-106.426.6176.100000114.3L291 R299 M329 V330 C334L291-G332 WeakPolarHBondContact CD2-O 3.47Å; R299-G332 WeakPolarHBondContact CD-O 3.34Å; R299-G332 PolarHBondContact NH1-O 2.85Å; M329-G332 CarbonylContact O-C 3.54Å; M329-G332 WeakPolarHBondContact O-CA 3.35Å; M329-G332 PolarHBondContact O-N 3.35Å; V330-G332 PolarHBondContact O-N 2.88Å; V330-G332 VanDerWaalsContact O-N 3.08Å; G332-C334 VanDerWaalsContact C-N 3.33Å; G332-C334 PolarHBondContact O-N 3.04Å
333D94.8Very high97.2Very high84 Ų8436.3 Ų36.345%0.44918%0.182SC..THydrogen-bonded Turntrans5538.3-178.1-45.5-73.9000114.3R299 V330 D335R299-D333 WeakPolarHBondContact CB-O 3.48Å; R299-D333 IonicContact CZ-OD2 2.7Å; R299-D333 VanDerWaalsContact CZ-OD2 3.31Å; R299-D333 IonicContact NH1-OD2 2.76Å; R299-D333 PolarHBondContact NH1-OD2 3.2Å; R299-D333 IonicContact NH2-OD2 3.14Å; R299-D333 PolarHBondContact NH2-OD2 2.8Å; V330-D333 PolarHBondContact O-N 3.44Å; D333-D335 PolarHBondContact O-N 2.87Å
334C96.5Very high97.1Very high7 Ų737.1 Ų37.15%0.04719%0.192CC..  trans-71.9125.2177.5-175.90000112.6L291 G301 M329 G332 E336 L380L291-C334 HydrophobicContact CD1-CB 3.66Å; G301-C334 PolarHBondContact N-SG 3.31Å; M329-C334 VanDerWaalsContact C-CB 3.46Å; M329-C334 HydrophobicContact CB-CB 3.7Å; M329-C334 WeakPolarHBondContact O-CB 3.39Å; M329-C334 PolarHBondContact O-N 3.36Å; M329-C334 VanDerWaalsContact O-N 3.07Å; G332-C334 VanDerWaalsContact C-N 3.33Å; G332-C334 PolarHBondContact O-N 3.04Å; C334-E336 PolarHBondContact SG-O 2.94Å; C334-L380 HydrophobicContact CB-CD1 4.14Å; C334-L380 WeakPolarHBondContact O-CD1 3.47Å
335D96.6Very high97Very high33 Ų3335.8 Ų35.818%0.17619%0.188CC..SBendtrans-90.6-35.5-178.7-51.4-71.9000112.4F298 R299 D333 L380 R381F298-D335 WeakPolarHBondContact CA-OD2 3.34Å; F298-D335 HydrophobicContact CB-CB 4.18Å; F298-D335 WeakPolarHBondContact CB-OD2 3.3Å; R299-D335 PolarHBondContact N-OD2 3.3Å; R299-D335 PolarHBondContact O-N 2.84Å; D333-D335 PolarHBondContact O-N 2.87Å; D335-L380 WeakPolarHBondContact O-CB 3.29Å; D335-L380 PolarHBondContact O-N 2.99Å; D335-R381 HydrophobicContact CB-CB 4.43Å; D335-R381 PolarHBondContact O-N 2.71Å; D335-R381 WeakPolarHBondContact OD1-CD 3.46Å; D335-R381 IonicContact OD1-NH1 2.7Å
336E97.1Very high96.9Very high14 Ų1442.4 Ų42.47%0.06522%0.217CC..EExtended strand (participates in β ladder)trans-146.5146171.851.5153.1-119.800113.2F298 R300 G301 C334 K377 L378F298-E336 HydrophobicContact CD2-CG 4.07Å; F298-E336 HydrophobicContact CE2-CG 3.72Å; R300-E336 CarbonylContact C-O 3.54Å; R300-E336 WeakPolarHBondContact CA-O 3.44Å; R300-E336 IonicContact CZ-OE1 2.71Å; R300-E336 IonicContact NE-OE1 3.13Å; R300-E336 PolarHBondContact NE-OE1 3.17Å; R300-E336 IonicContact NH2-OE1 2.76Å; R300-E336 PolarHBondContact NH2-OE1 3.03Å; G301-E336 PolarHBondContact N-O 3.38Å; C334-E336 PolarHBondContact SG-O 2.94Å; E336-K377 HydrophobicContact CB-CG 4.49Å; E336-K377 VanDerWaalsContact OE2-CD 3.26Å; E336-K377 WeakPolarHBondContact OE2-CD 3.38Å; E336-K377 WeakPolarHBondContact OE2-CE 3.44Å; E336-K377 IonicContact OE2-NZ 2.74Å; E336-K377 PolarHBondContact OE2-NZ 3.24Å; E336-L378 CarbonylContact C-O 3.57Å; E336-L378 VanDerWaalsContact CA-O 3.3Å; E336-L378 WeakPolarHBondContact CA-O 3.39Å
337V98.3Very high96.8Very high0 Ų045.8 Ų45.80%024%0.242CC..EExtended strand (participates in β ladder)trans-111.1130.4176.1-173.70000109.6G301 I303 M329 F357 K377 L378 L380G301-V337 WeakPolarHBondContact O-CA 3.37Å; I303-V337 HydrophobicContact CD1-CG1 4.19Å; I303-V337 HydrophobicContact CG1-CG1 4Å; M329-V337 HydrophobicContact CE-CG1 4.45Å; M329-V337 HydrophobicContact SD-CB 4.4Å; M329-V337 HydrophobicContact SD-CG1 3.82Å; M329-V337 HydrophobicContact SD-CG2 3.65Å; V337-F357 HydrophobicContact CB-CE1 4.18Å; V337-F357 HydrophobicContact CB-CZ 4.25Å; V337-F357 HydrophobicContact CG1-CE1 4.01Å; V337-F357 HydrophobicContact CG1-CZ 3.98Å; V337-K377 CarbonylContact O-C 3.56Å; V337-K377 WeakPolarHBondContact O-CA 3.19Å; V337-L378 PolarHBondContact N-O 2.76Å; V337-L378 PolarHBondContact O-N 2.99Å; V337-L380 HydrophobicContact CG2-CD1 3.71Å
338V98.1Very high96.7Very high5 Ų541.6 Ų41.63%0.0323%0.229CC..EExtended strand (participates in β ladder)trans-125.3159.2177-61.40000112.8R300 G301 Y302 I303 L376 K377R300-V338 HydrophobicContact CG-CG2 3.92Å; G301-V338 PolarHBondContact O-N 2.81Å; Y302-V338 WeakPolarHBondContact CA-O 3.29Å; Y302-V338 HydrophobicContact CD2-CG2 4.18Å; Y302-V338 WeakPolarHBondContact CD2-O 3.36Å; I303-V338 PolarHBondContact N-O 3.29Å; I303-V338 VanDerWaalsContact N-O 3.15Å; V338-L376 VanDerWaalsContact CA-O 3.31Å; V338-L376 WeakPolarHBondContact CA-O 3.48Å; V338-K377 HydrophobicContact CG1-CB 3.95Å; V338-K377 HydrophobicContact CG1-CD 4.38Å; V338-K377 HydrophobicContact CG1-CG 3.84Å
339L98.3Very high96.7Very high2 Ų241.5 Ų41.51%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-158.7163.1174.366.895.9000111.1I303 Y352 F357 R375 L376I303-L339 HydrophobicContact CB-CB 4.09Å; I303-L339 HydrophobicContact CB-CD2 4.37Å; I303-L339 HydrophobicContact CD1-CD2 3.99Å; L339-Y352 HydrophobicContact CD1-CD2 3.76Å; L339-Y352 HydrophobicContact CD1-CE2 3.56Å; L339-Y352 HydrophobicContact CD1-CG 4.39Å; L339-Y352 HydrophobicContact CD2-CD1 3.55Å; L339-Y352 HydrophobicContact CD2-CD2 3.96Å; L339-Y352 HydrophobicContact CD2-CE1 3.43Å; L339-Y352 VanDerWaalsContact CD2-CE1 3.43Å; L339-Y352 HydrophobicContact CD2-CE2 3.84Å; L339-Y352 HydrophobicContact CD2-CG 3.82Å; L339-Y352 HydrophobicContact CG-CE2 4.37Å; L339-F357 HydrophobicContact CD2-CD1 3.97Å; L339-F357 HydrophobicContact CD2-CE1 3.7Å; L339-F357 HydrophobicContact CD2-CZ 4.15Å; L339-R375 CarbonylContact O-C 3.58Å; L339-R375 VanDerWaalsContact O-CA 3.3Å; L339-R375 WeakPolarHBondContact O-CA 3.47Å; L339-L376 HydrophobicContact CD1-CB 4.24Å; L339-L376 HydrophobicContact CD1-CD1 4.07Å; L339-L376 HydrophobicContact CD1-CG 4.14Å; L339-L376 HydrophobicContact CG-CB 4.17Å; L339-L376 PolarHBondContact N-O 2.76Å; L339-L376 VanDerWaalsContact N-O 3.11Å; L339-L376 PolarHBondContact O-N 3.2Å
340E97.7Very high96.7Very high22 Ų2248 Ų4810%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-111.6144.5167.5-73.480.4-128.700111.7Y302 L363 Y366 Y367 A373 R375Y302-E340 PolarHBondContact OH-OE2 3.48Å; E340-L363 HydrophobicContact CG-CD1 3.71Å; E340-Y366 HydrophobicContact CB-CE1 3.96Å; E340-Y366 HydrophobicContact CG-CE1 4.05Å; E340-Y366 HydrophobicContact CG-CE2 4.18Å; E340-Y366 PolarHBondContact OE2-OH 2.81Å; E340-Y367 PolarHBondContact O-OH 2.95Å; E340-A373 HydrophobicContact CB-CB 4.24Å; E340-A373 HydrophobicContact CG-CB 4.42Å; E340-R375 HydrophobicContact CG-CB 4.45Å; E340-R375 IonicContact OE1-CZ 3.41Å; E340-R375 IonicContact OE1-NE 3.74Å; E340-R375 PolarHBondContact OE1-NE 2.84Å; E340-R375 IonicContact OE1-NH2 3.19Å; E340-R375 PolarHBondContact OE1-NH2 3.27Å; E340-R375 IonicContact OE2-NH2 2.7Å
341T96.9Very high96.7Very high13 Ų1346.3 Ų46.38%0.0824%0.244CC..EExtended strand (participates in β ladder)trans-143.8149.9168.4-157.40000111.4I343 A348 L349 Y367 A373 L374T341-I343 PolarHBondContact O-N 2.74Å; T341-A348 HydrophobicContact CG2-CB 4.41Å; T341-A348 WeakPolarHBondContact OG1-CB 3.41Å; T341-L349 HydrophobicContact CG2-CD2 3.48Å; T341-L349 VanDerWaalsContact CG2-CD2 3.48Å; T341-L349 HydrophobicContact CG2-CG 3.86Å; T341-Y367 WeakPolarHBondContact CA-OH 3.44Å; T341-Y367 PolarHBondContact N-OH 3.34Å; T341-A373 CarbonylContact O-C 3.34Å; T341-A373 WeakPolarHBondContact O-CA 3.36Å; T341-L374 PolarHBondContact N-O 3.25Å; T341-L374 PolarHBondContact O-N 3.47Å
342E96.3Very high96.8Very high32 Ų3240.1 Ų40.115%0.1521%0.214CC..EExtended strand (participates in β ladder)trans-57.9136.6177.1-64.9-173.8-17600110.9S255 T344 N345 Y367 N369 V371S255-E342 PolarHBondContact OG-OE1 2.97Å; E342-T344 WeakPolarHBondContact CB-OG1 3.4Å; E342-T344 PolarHBondContact O-N 3.42Å; E342-T344 PolarHBondContact OE2-OG1 3.48Å; E342-N345 HydrophobicContact CB-CB 4.33Å; E342-N345 PolarHBondContact O-N 3.3Å; E342-Y367 HydrophobicContact CB-CD2 4.39Å; E342-Y367 HydrophobicContact CB-CE2 4.1Å; E342-Y367 HydrophobicContact CG-CD2 3.55Å; E342-Y367 HydrophobicContact CG-CE2 3.51Å; E342-Y367 HydrophobicContact CG-CG 4.07Å; E342-N369 PolarHBondContact OE1-ND2 3.18Å; E342-V371 HydrophobicContact CB-CG1 4.06Å; E342-V371 HydrophobicContact CG-CG1 4.23Å
343I96.5Very high97Very high49 Ų4942.4 Ų42.425%0.25122%0.22SC..THydrogen-bonded Turntrans-60.9-20.7178-164164.8000113T341 K346 V371 D372 L374T341-I343 PolarHBondContact O-N 2.74Å; I343-K346 PolarHBondContact O-NZ 3.41Å; I343-V371 HydrophobicContact CG2-CG1 4.23Å; I343-D372 WeakPolarHBondContact CB-O 3.33Å; I343-D372 HydrophobicContact CG2-CB 4.08Å; I343-D372 WeakPolarHBondContact CG2-O 3.11Å; I343-D372 PolarHBondContact N-O 2.81Å; I343-L374 HydrophobicContact CB-CG 4.38Å; I343-L374 HydrophobicContact CD1-CD1 4.45Å; I343-L374 HydrophobicContact CD1-CD2 4.34Å; I343-L374 HydrophobicContact CD1-CG 4.32Å; I343-L374 HydrophobicContact CG1-CD1 4.01Å; I343-L374 HydrophobicContact CG1-CG 4.11Å
344T96.6Very high97.1Very high76 Ų7644.4 Ų44.447%0.46623%0.231SC..THydrogen-bonded Turntrans-72.4-31.2172.549.60000112.7E342 K346 V371E342-T344 WeakPolarHBondContact CB-OG1 3.4Å; E342-T344 PolarHBondContact O-N 3.42Å; E342-T344 PolarHBondContact OE2-OG1 3.48Å; T344-K346 VanDerWaalsContact C-N 3.3Å; T344-K346 WeakPolarHBondContact O-CG 3.46Å; T344-K346 PolarHBondContact O-N 3.09Å; T344-V371 HydrophobicContact CG2-CG1 4.01Å
345N95.6Very high97.2Very high55 Ų5545 Ų4529%0.29423%0.233SC..  trans-79.673.5-170.6-168.8-11.8000112.4E342 S347 A348 L349E342-N345 HydrophobicContact CB-CB 4.33Å; E342-N345 PolarHBondContact O-N 3.3Å; N345-S347 PolarHBondContact O-N 2.66Å; N345-S347 VanDerWaalsContact O-N 3.08Å; N345-S347 PolarHBondContact OD1-N 2.7Å; N345-S347 PolarHBondContact OD1-OG 2.7Å; N345-A348 HydrophobicContact CB-CB 4.29Å; N345-A348 WeakPolarHBondContact ND2-CB 3.33Å; N345-A348 PolarHBondContact O-N 2.87Å; N345-A348 PolarHBondContact OD1-N 3.11Å; N345-L349 WeakPolarHBondContact O-CG 3.45Å; N345-L349 PolarHBondContact O-N 2.76Å
346K96.4Very high97.2Very high139 Ų13945.5 Ų45.560%0.60425%0.247SC*.Hα-helixtrans-59.1-22.2178.7-50.3-46.7-177.6-172.90113.2I343 T344 L349 K350I343-K346 PolarHBondContact O-NZ 3.41Å; T344-K346 VanDerWaalsContact C-N 3.3Å; T344-K346 WeakPolarHBondContact O-CG 3.46Å; T344-K346 PolarHBondContact O-N 3.09Å; K346-L349 HydrophobicContact CD-CD1 4.16Å; K346-K350 WeakPolarHBondContact O-CB 3.49Å; K346-K350 PolarHBondContact O-N 3.18Å
347S95.1Very high97.3Very high84 Ų8445 Ų4559%0.58725%0.245SC*.Hα-helixtrans-74.8-41.9177.978.60000112.7N345 L351N345-S347 PolarHBondContact O-N 2.66Å; N345-S347 VanDerWaalsContact O-N 3.08Å; N345-S347 PolarHBondContact OD1-N 2.7Å; N345-S347 PolarHBondContact OD1-OG 2.7Å; S347-L351 WeakPolarHBondContact O-CB 3.26Å; S347-L351 PolarHBondContact O-N 3.04Å
348A95.9Very high97.3Very high15 Ų1548.8 Ų48.812%0.12427%0.267CS..Hα-helixtrans-72.4-45.6174.800000111.3T341 N345 K350 L351 Y352T341-A348 HydrophobicContact CG2-CB 4.41Å; T341-A348 WeakPolarHBondContact OG1-CB 3.41Å; N345-A348 HydrophobicContact CB-CB 4.29Å; N345-A348 WeakPolarHBondContact ND2-CB 3.33Å; N345-A348 PolarHBondContact O-N 2.87Å; N345-A348 PolarHBondContact OD1-N 3.11Å; A348-K350 PolarHBondContact O-N 3.27Å; A348-L351 WeakPolarHBondContact O-CB 3.2Å; A348-L351 PolarHBondContact O-N 3.08Å; A348-Y352 HydrophobicContact CB-CD2 4.35Å; A348-Y352 HydrophobicContact CB-CE2 4.12Å; A348-Y352 WeakPolarHBondContact O-CD2 3.33Å; A348-Y352 PolarHBondContact O-N 3.43Å
349L97.7Very high97.3Very high6 Ų655.6 Ų55.63%0.03129%0.292CS..Hα-helixtrans-52.8-52.3176.5-69.6168.8000111.3T341 N345 K346 L351 Y352 E353 L374 L376T341-L349 HydrophobicContact CG2-CD2 3.48Å; T341-L349 VanDerWaalsContact CG2-CD2 3.48Å; T341-L349 HydrophobicContact CG2-CG 3.86Å; N345-L349 WeakPolarHBondContact O-CG 3.45Å; N345-L349 PolarHBondContact O-N 2.76Å; K346-L349 HydrophobicContact CD-CD1 4.16Å; L349-L351 VanDerWaalsContact C-N 3.31Å; L349-L351 PolarHBondContact O-N 3.34Å; L349-Y352 PolarHBondContact O-N 2.95Å; L349-E353 VanDerWaalsContact O-CB 3.28Å; L349-E353 WeakPolarHBondContact O-CB 3.28Å; L349-E353 WeakPolarHBondContact O-CG 3.36Å; L349-E353 PolarHBondContact O-N 3.11Å; L349-L374 HydrophobicContact CD1-CD1 4.28Å; L349-L374 HydrophobicContact CD2-CB 4.28Å; L349-L374 HydrophobicContact CD2-CD1 3.75Å; L349-L376 HydrophobicContact CD2-CD1 4.29Å; L349-L376 HydrophobicContact CD2-CD2 4.18Å
350K97.5Very high97.2Very high137 Ų13758.5 Ų58.560%0.59631%0.308SS*.Hα-helixtrans-64.8-31.2177.6-175.3163-176.21630113.5K346 A348 N354K346-K350 WeakPolarHBondContact O-CB 3.49Å; K346-K350 PolarHBondContact O-N 3.18Å; A348-K350 PolarHBondContact O-N 3.27Å; K350-N354 WeakPolarHBondContact O-CB 3.06Å; K350-N354 PolarHBondContact O-N 2.68Å; K350-N354 VanDerWaalsContact O-N 3.12Å; K350-N354 PolarHBondContact O-OD1 3.06Å
351L97.8Very high97.2Very high40 Ų4063.3 Ų63.321%0.20933%0.329CS..Hα-helixtrans-67.1-43176.7179.8149.3000111.8L306 V322 S347 A348 L349 L355L306-L351 HydrophobicContact CD2-CD2 4.36Å; V322-L351 HydrophobicContact CG2-CD2 4.18Å; S347-L351 WeakPolarHBondContact O-CB 3.26Å; S347-L351 PolarHBondContact O-N 3.04Å; A348-L351 WeakPolarHBondContact O-CB 3.2Å; A348-L351 PolarHBondContact O-N 3.08Å; L349-L351 VanDerWaalsContact C-N 3.31Å; L349-L351 PolarHBondContact O-N 3.34Å; L351-L355 HydrophobicContact CD2-CD1 4.03Å; L351-L355 WeakPolarHBondContact O-CG 3.31Å
352Y98.4Very high97.2Very high13 Ų1368.9 Ų68.95%0.05135%0.348CS..Hα-helixtrans-79.1-38.3-179.2-65.1-57.9000112.4I303 L306 V322 L339 A348 L349 N354 L355 G356 F357 L376I303-Y352 HydrophobicContact CD1-CE1 4.21Å; L306-Y352 HydrophobicContact CD2-CE1 4.34Å; L306-Y352 WeakPolarHBondContact CD2-OH 3.18Å; V322-Y352 HydrophobicContact CG1-CD1 4.49Å; V322-Y352 HydrophobicContact CG1-CE1 4.29Å; V322-Y352 HydrophobicContact CG2-CE1 3.78Å; L339-Y352 HydrophobicContact CD1-CD2 3.76Å; L339-Y352 HydrophobicContact CD1-CE2 3.56Å; L339-Y352 HydrophobicContact CD1-CG 4.39Å; L339-Y352 HydrophobicContact CD2-CD1 3.55Å; L339-Y352 HydrophobicContact CD2-CD2 3.96Å; L339-Y352 HydrophobicContact CD2-CE1 3.43Å; L339-Y352 VanDerWaalsContact CD2-CE1 3.43Å; L339-Y352 HydrophobicContact CD2-CE2 3.84Å; L339-Y352 HydrophobicContact CD2-CG 3.82Å; L339-Y352 HydrophobicContact CG-CE2 4.37Å; A348-Y352 HydrophobicContact CB-CD2 4.35Å; A348-Y352 HydrophobicContact CB-CE2 4.12Å; A348-Y352 WeakPolarHBondContact O-CD2 3.33Å; A348-Y352 PolarHBondContact O-N 3.43Å; L349-Y352 PolarHBondContact O-N 2.95Å; Y352-N354 VanDerWaalsContact C-N 3.31Å; Y352-N354 PolarHBondContact O-N 3.15Å; Y352-L355 CarbonylContact O-C 3.56Å; Y352-L355 WeakPolarHBondContact O-CA 3.26Å; Y352-L355 WeakPolarHBondContact O-CB 3.31Å; Y352-L355 PolarHBondContact O-N 2.87Å; Y352-G356 PolarHBondContact O-N 3.38Å; Y352-F357 HydrophobicContact CD1-CD2 4.27Å; Y352-F357 HydrophobicContact CD1-CE2 4.26Å; Y352-F357 WeakPolarHBondContact O-CB 3.26Å; Y352-F357 WeakPolarHBondContact O-CD2 3.42Å; Y352-F357 PolarHBondContact O-N 2.9Å; Y352-L376 VanDerWaalsContact CB-CD1 3.49Å; Y352-L376 HydrophobicContact CD2-CD1 3.89Å; Y352-L376 HydrophobicContact CG-CD1 4.04Å
353E98Very high97.3Very high65 Ų6568.8 Ų68.830%0.30435%0.349SS..Hα-helixtrans-60.9-40.9173.8-71.9162-168.900110.9L349 L355 G356 R359L349-E353 VanDerWaalsContact O-CB 3.28Å; L349-E353 WeakPolarHBondContact O-CB 3.28Å; L349-E353 WeakPolarHBondContact O-CG 3.36Å; L349-E353 PolarHBondContact O-N 3.11Å; E353-L355 PolarHBondContact O-N 3.47Å; E353-L355 VanDerWaalsContact O-N 3.14Å; E353-G356 PolarHBondContact O-N 3.07Å; E353-G356 VanDerWaalsContact O-N 3.13Å; E353-R359 IonicContact OE1-CZ 2.67Å; E353-R359 IonicContact OE1-NE 3.15Å; E353-R359 PolarHBondContact OE1-NE 3.35Å; E353-R359 IonicContact OE1-NH2 3.81Å; E353-R359 PolarHBondContact OE1-NH2 2.91Å; E353-R359 IonicContact OE2-NH2 3.8Å; E353-R359 PolarHBondContact OE2-NH2 2.86Å; E353-R359 VanDerWaalsContact OE2-NH2 3.09Å
354N97.8Very high97.3Very high125 Ų12573.7 Ų73.767%0.66837%0.368SS*.THydrogen-bonded Turntrans-66.5-7.2171-7822.2000114.6K350 Y352K350-N354 WeakPolarHBondContact O-CB 3.06Å; K350-N354 PolarHBondContact O-N 2.68Å; K350-N354 VanDerWaalsContact O-N 3.12Å; K350-N354 PolarHBondContact O-OD1 3.06Å; Y352-N354 VanDerWaalsContact C-N 3.31Å; Y352-N354 PolarHBondContact O-N 3.15Å
355L97.9Very high97.3Very high19 Ų1979.7 Ų79.710%0.09938%0.383CS..THydrogen-bonded Turntrans-109.513.4175.5-75.4170.5000112.4T319 V322 K323 L351 Y352 E353 F357T319-L355 HydrophobicContact CG2-CD1 4.26Å; T319-L355 HydrophobicContact CG2-CD2 3.86Å; T319-L355 HydrophobicContact CG2-CG 4.24Å; V322-L355 HydrophobicContact CB-CD1 3.82Å; V322-L355 HydrophobicContact CG1-CD1 3.58Å; K323-L355 HydrophobicContact CG-CD2 3.91Å; L351-L355 HydrophobicContact CD2-CD1 4.03Å; L351-L355 WeakPolarHBondContact O-CG 3.31Å; Y352-L355 CarbonylContact O-C 3.56Å; Y352-L355 WeakPolarHBondContact O-CA 3.26Å; Y352-L355 WeakPolarHBondContact O-CB 3.31Å; Y352-L355 PolarHBondContact O-N 2.87Å; E353-L355 PolarHBondContact O-N 3.47Å; E353-L355 VanDerWaalsContact O-N 3.14Å; L355-F357 HydrophobicContact CB-CD2 4.06Å; L355-F357 HydrophobicContact CB-CE2 4.29Å
356G97.9Very high97.3Very high45 Ų4582 Ų8246%0.46439%0.388SS..THydrogen-bonded Turntrans83.85.6177.900000114.9Y352 E353 V358Y352-G356 PolarHBondContact O-N 3.38Å; E353-G356 PolarHBondContact O-N 3.07Å; E353-G356 VanDerWaalsContact O-N 3.13Å; G356-V358 PolarHBondContact O-N 2.84Å
357F98.6Very high97.2Very high4 Ų476.7 Ų76.72%0.01836%0.364CS..  trans-73.5128.3174.5-72.6-104.5000111.1I303 V322 I326 V337 L339 Y352 L355 L376 K377 L378I303-F357 HydrophobicContact CD1-CZ 4.04Å; V322-F357 HydrophobicContact CG1-CE2 4.3Å; I326-F357 HydrophobicContact CD1-CE2 3.9Å; I326-F357 HydrophobicContact CD1-CZ 4.12Å; V337-F357 HydrophobicContact CB-CE1 4.18Å; V337-F357 HydrophobicContact CB-CZ 4.25Å; V337-F357 HydrophobicContact CG1-CE1 4.01Å; V337-F357 HydrophobicContact CG1-CZ 3.98Å; L339-F357 HydrophobicContact CD2-CD1 3.97Å; L339-F357 HydrophobicContact CD2-CE1 3.7Å; L339-F357 HydrophobicContact CD2-CZ 4.15Å; Y352-F357 HydrophobicContact CD1-CD2 4.27Å; Y352-F357 HydrophobicContact CD1-CE2 4.26Å; Y352-F357 WeakPolarHBondContact O-CB 3.26Å; Y352-F357 WeakPolarHBondContact O-CD2 3.42Å; Y352-F357 PolarHBondContact O-N 2.9Å; L355-F357 HydrophobicContact CB-CD2 4.06Å; L355-F357 HydrophobicContact CB-CE2 4.29Å; F357-L376 HydrophobicContact CB-CB 4.04Å; F357-L376 HydrophobicContact CB-CD1 4.42Å; F357-L376 HydrophobicContact CD1-CB 4.16Å; F357-K377 CarbonylContact C-O 3.59Å; F357-K377 WeakPolarHBondContact CA-O 3.3Å; F357-L378 HydrophobicContact CD1-CB 3.72Å; F357-L378 HydrophobicContact CD2-CB 4.06Å; F357-L378 HydrophobicContact CD2-CD2 4.4Å; F357-L378 HydrophobicContact CE1-CB 3.68Å; F357-L378 HydrophobicContact CE2-CB 4.03Å; F357-L378 HydrophobicContact CE2-CD2 3.9Å; F357-L378 HydrophobicContact CG-CB 3.91Å; F357-L378 HydrophobicContact CZ-CB 3.84Å; F357-L378 HydrophobicContact CZ-CD2 4.1Å
358V98.1Very high97Very high78 Ų7879.6 Ų79.647%0.47337%0.372SS..EExtended strand (participates in β ladder)trans-98.8151176-174.80000110G356 D360 L376 K377 W379G356-V358 PolarHBondContact O-N 2.84Å; V358-D360 PolarHBondContact O-N 2.74Å; V358-L376 CarbonylContact O-C 3.58Å; V358-L376 VanDerWaalsContact O-CA 3.26Å; V358-L376 WeakPolarHBondContact O-CA 3.41Å; V358-K377 PolarHBondContact N-O 2.8Å; V358-K377 PolarHBondContact O-N 2.67Å; V358-W379 HydrophobicContact CB-CH2 4.42Å; V358-W379 HydrophobicContact CB-CZ3 3.87Å; V358-W379 HydrophobicContact CG2-CZ3 3.92Å
359R97.9Very high96.7Very high148 Ų14883 Ų8356%0.55839%0.388SS*.EExtended strand (participates in β ladder)trans-75.3106.5175.8-59.9172.8-171.1156.17.5109.6E353 L374 L376E353-R359 IonicContact OE1-CZ 2.67Å; E353-R359 IonicContact OE1-NE 3.15Å; E353-R359 PolarHBondContact OE1-NE 3.35Å; E353-R359 IonicContact OE1-NH2 3.81Å; E353-R359 PolarHBondContact OE1-NH2 2.91Å; E353-R359 IonicContact OE2-NH2 3.8Å; E353-R359 PolarHBondContact OE2-NH2 2.86Å; E353-R359 VanDerWaalsContact OE2-NH2 3.09Å; R359-L374 HydrophobicContact CG-CD1 4.47Å; R359-L376 HydrophobicContact CB-CD2 4.2Å; R359-L376 HydrophobicContact CG-CD2 3.67Å
360D96.9Very high96.5Very high63 Ų6384.1 Ų84.134%0.33740%0.402SS..EExtended strand (participates in β ladder)trans-86.4-44.4-174.8172.586.6000112.2V358 R375 K377V358-D360 PolarHBondContact O-N 2.74Å; D360-R375 HydrophobicContact CB-CG 4.17Å; D360-R375 PolarHBondContact N-O 3.23Å; D360-R375 VanDerWaalsContact OD2-CD 3.29Å; D360-R375 WeakPolarHBondContact OD2-CD 3.49Å; D360-K377 HydrophobicContact CB-CB 3.94Å; D360-K377 VanDerWaalsContact OD1-CE 3.31Å; D360-K377 WeakPolarHBondContact OD1-CE 3.42Å; D360-K377 IonicContact OD1-NZ 3.67Å; D360-K377 PolarHBondContact OD1-NZ 2.7Å
361K96.9Very high96.5Very high124 Ų12479.3 Ų79.354%0.53938%0.384SS..EExtended strand (participates in β ladder)trans-156.1142.9-177.7-172.9167.8-179.6174.30113.1L363 R375K361-L363 HydrophobicContact CD-CD2 3.95Å; K361-L363 HydrophobicContact CG-CD2 3.96Å; K361-R375 HydrophobicContact CB-CB 4.32Å; K361-R375 PolarHBondContact N-O 3.16Å; K361-R375 PolarHBondContact O-N 2.74Å
362R97.9Very high96.4Very high130 Ų13078.4 Ų78.449%0.49138%0.379SS..EExtended strand (participates in β ladder)trans-86.3132.6164.5-176.3176.4176.7175.1-2.9110F364 D372 L374R362-F364 HydrophobicContact CG-CE1 4.49Å; R362-D372 IonicContact CZ-OD2 3.38Å; R362-D372 IonicContact NE-OD2 3.31Å; R362-D372 PolarHBondContact NE-OD2 2.94Å; R362-D372 IonicContact NH2-OD2 2.7Å; R362-D372 PolarHBondContact NH2-OD2 2.85Å; R362-L374 HydrophobicContact CB-CD2 4.1Å; R362-L374 HydrophobicContact CG-CD2 4.39Å
363L97.8Very high96.4Very high30 Ų3077.8 Ų77.816%0.15738%0.377CS..EExtended strand (participates in β ladder)trans-115.5111.5178.3-53.5176.4000108.2E340 K361 Y366 D372 A373 R375E340-L363 HydrophobicContact CG-CD1 3.71Å; K361-L363 HydrophobicContact CD-CD2 3.95Å; K361-L363 HydrophobicContact CG-CD2 3.96Å; L363-Y366 HydrophobicContact CB-CD2 3.88Å; L363-Y366 HydrophobicContact CB-CG 4.16Å; L363-Y366 HydrophobicContact CD1-CD2 3.53Å; L363-Y366 HydrophobicContact CD1-CE2 3.65Å; L363-Y366 HydrophobicContact CD1-CG 4.25Å; L363-Y366 HydrophobicContact CG-CD2 4.33Å; L363-D372 CarbonylContact O-C 3.57Å; L363-D372 VanDerWaalsContact O-CA 3.3Å; L363-D372 WeakPolarHBondContact O-CA 3.49Å; L363-A373 HydrophobicContact CB-CB 4.22Å; L363-A373 HydrophobicContact CD1-CB 4.46Å; L363-A373 PolarHBondContact N-O 2.94Å; L363-A373 PolarHBondContact O-N 2.91Å; L363-R375 HydrophobicContact CD1-CB 4.42Å
364F97.5Very high96.4Very high151 Ų15175.6 Ų75.666%0.66237%0.367SS*.THydrogen-bonded Turntrans-72.2133.1-176-64.2-76.5000111.6R362 Y366 D372R362-F364 HydrophobicContact CG-CE1 4.49Å; F364-Y366 VanDerWaalsContact C-N 3.26Å; F364-Y366 PolarHBondContact O-N 2.8Å; F364-D372 VanDerWaalsContact CA-OD1 3.29Å; F364-D372 WeakPolarHBondContact CA-OD1 3.29Å; F364-D372 WeakPolarHBondContact CD1-OD2 3.3Å
365R95.7Very high96.4Very high203 Ų20373 Ų7377%0.76635%0.348SS*.THydrogen-bonded Turntrans47.645.4177.4-58.6177.761.5-172.9-2.7113.4D372R365-D372 PolarHBondContact N-OD1 2.8Å
366Y95.8Very high96.5Very high102 Ų10272 Ų7240%0.434%0.343SS..  trans-76.6-37.2-171.1177.3-89.3000113.2E340 L363 F364 V371 A373E340-Y366 HydrophobicContact CB-CE1 3.96Å; E340-Y366 HydrophobicContact CG-CE1 4.05Å; E340-Y366 HydrophobicContact CG-CE2 4.18Å; E340-Y366 PolarHBondContact OE2-OH 2.81Å; L363-Y366 HydrophobicContact CB-CD2 3.88Å; L363-Y366 HydrophobicContact CB-CG 4.16Å; L363-Y366 HydrophobicContact CD1-CD2 3.53Å; L363-Y366 HydrophobicContact CD1-CE2 3.65Å; L363-Y366 HydrophobicContact CD1-CG 4.25Å; L363-Y366 HydrophobicContact CG-CD2 4.33Å; F364-Y366 VanDerWaalsContact C-N 3.26Å; F364-Y366 PolarHBondContact O-N 2.8Å; Y366-V371 PolarHBondContact N-O 2.94Å; Y366-V371 VanDerWaalsContact N-O 3.16Å; Y366-A373 HydrophobicContact CD1-CB 3.59Å; Y366-A373 HydrophobicContact CE1-CB 4.36Å; Y366-A373 HydrophobicContact CG-CB 3.7Å
367Y94.3Very high96.5Very high29 Ų2971 Ų7111%0.11433%0.326CS..SBendtrans-87.8156.2178.5-68.5-78.2000111.5E256 E340 T341 E342 N369 G370 V371 A373E256-Y367 HydrophobicContact CG-CD1 3.78Å; E256-Y367 HydrophobicContact CG-CE1 4.27Å; E256-Y367 WeakPolarHBondContact OE1-CA 3.32Å; E256-Y367 WeakPolarHBondContact OE1-CB 3.19Å; E256-Y367 WeakPolarHBondContact OE1-CD1 3.15Å; E340-Y367 PolarHBondContact O-OH 2.95Å; T341-Y367 WeakPolarHBondContact CA-OH 3.44Å; T341-Y367 PolarHBondContact N-OH 3.34Å; E342-Y367 HydrophobicContact CB-CD2 4.39Å; E342-Y367 HydrophobicContact CB-CE2 4.1Å; E342-Y367 HydrophobicContact CG-CD2 3.55Å; E342-Y367 HydrophobicContact CG-CE2 3.51Å; E342-Y367 HydrophobicContact CG-CG 4.07Å; Y367-N369 WeakPolarHBondContact CB-OD1 3.47Å; Y367-N369 PolarHBondContact O-N 2.71Å; Y367-G370 WeakPolarHBondContact O-CA 3.28Å; Y367-G370 PolarHBondContact O-N 3.35Å; Y367-V371 PolarHBondContact N-O 3.21Å; Y367-A373 HydrophobicContact CD2-CB 4.13Å; Y367-A373 HydrophobicContact CE2-CB 3.5Å; Y367-A373 VanDerWaalsContact CE2-CB 3.5Å
368L90.2Very high96.5Very high145 Ų14571.5 Ų71.576%0.75933%0.328SS*.THydrogen-bonded Turntrans-62.7-26-177.5-70-178.5000113.2E256 G370E256-L368 PolarHBondContact OE1-N 3.03Å; E256-L368 WeakPolarHBondContact OE2-CD1 3.42Å; E256-L368 VanDerWaalsContact OE2-CG 3.26Å; E256-L368 WeakPolarHBondContact OE2-CG 3.43Å; L368-G370 PolarHBondContact O-N 2.74Å
369N91.1Very high96.4Very high85 Ų8573.6 Ų73.646%0.45533%0.328SS..THydrogen-bonded Turntrans-71.7-1.9171.262.115.2000113.8E342 Y367 V371E342-N369 PolarHBondContact OE1-ND2 3.18Å; Y367-N369 WeakPolarHBondContact CB-OD1 3.47Å; Y367-N369 PolarHBondContact O-N 2.71Å; N369-V371 VanDerWaalsContact C-N 3.32Å; N369-V371 WeakPolarHBondContact OD1-CB 3.18Å; N369-V371 VanDerWaalsContact OD1-CG2 3.28Å; N369-V371 WeakPolarHBondContact OD1-CG2 3.2Å; N369-V371 PolarHBondContact OD1-N 2.9Å
370G93.4Very high96.2Very high31 Ų3167.2 Ų67.232%0.3231%0.305SS..SBendtrans80.15.1-178.300000114.8Y367 L368Y367-G370 WeakPolarHBondContact O-CA 3.28Å; Y367-G370 PolarHBondContact O-N 3.35Å; L368-G370 PolarHBondContact O-N 2.74Å
371V95.6Very high95.4Very high36 Ų3674.5 Ų74.522%0.21833%0.327CS..PPolyproline II helixtrans-76.5141.7179.1178.90000110.7E342 I343 T344 Y366 Y367 N369E342-V371 HydrophobicContact CB-CG1 4.06Å; E342-V371 HydrophobicContact CG-CG1 4.23Å; I343-V371 HydrophobicContact CG2-CG1 4.23Å; T344-V371 HydrophobicContact CG2-CG1 4.01Å; Y366-V371 PolarHBondContact N-O 2.94Å; Y366-V371 VanDerWaalsContact N-O 3.16Å; Y367-V371 PolarHBondContact N-O 3.21Å; N369-V371 VanDerWaalsContact C-N 3.32Å; N369-V371 WeakPolarHBondContact OD1-CB 3.18Å; N369-V371 VanDerWaalsContact OD1-CG2 3.28Å; N369-V371 WeakPolarHBondContact OD1-CG2 3.2Å; N369-V371 PolarHBondContact OD1-N 2.9Å
372D97.4Very high95.3Very high20 Ų2072 Ų7211%0.10732%0.317CS..PPolyproline II helixtrans-70.2140.1174.6-72.12.9000111.6I343 R362 L363 F364 R365I343-D372 WeakPolarHBondContact CB-O 3.33Å; I343-D372 HydrophobicContact CG2-CB 4.08Å; I343-D372 WeakPolarHBondContact CG2-O 3.11Å; I343-D372 PolarHBondContact N-O 2.81Å; R362-D372 IonicContact CZ-OD2 3.38Å; R362-D372 IonicContact NE-OD2 3.31Å; R362-D372 PolarHBondContact NE-OD2 2.94Å; R362-D372 IonicContact NH2-OD2 2.7Å; R362-D372 PolarHBondContact NH2-OD2 2.85Å; L363-D372 CarbonylContact O-C 3.57Å; L363-D372 VanDerWaalsContact O-CA 3.3Å; L363-D372 WeakPolarHBondContact O-CA 3.49Å; F364-D372 VanDerWaalsContact CA-OD1 3.29Å; F364-D372 WeakPolarHBondContact CA-OD1 3.29Å; F364-D372 WeakPolarHBondContact CD1-OD2 3.3Å; R365-D372 PolarHBondContact N-OD1 2.8Å
373A97.7Very high95.2Very high0 Ų068.9 Ų68.90%031%0.308CS..EExtended strand (participates in β ladder)trans-94.7152.1168.700000111.7E340 T341 L363 Y366 Y367E340-A373 HydrophobicContact CB-CB 4.24Å; E340-A373 HydrophobicContact CG-CB 4.42Å; T341-A373 CarbonylContact O-C 3.34Å; T341-A373 WeakPolarHBondContact O-CA 3.36Å; L363-A373 HydrophobicContact CB-CB 4.22Å; L363-A373 HydrophobicContact CD1-CB 4.46Å; L363-A373 PolarHBondContact N-O 2.94Å; L363-A373 PolarHBondContact O-N 2.91Å; Y366-A373 HydrophobicContact CD1-CB 3.59Å; Y366-A373 HydrophobicContact CE1-CB 4.36Å; Y366-A373 HydrophobicContact CG-CB 3.7Å; Y367-A373 HydrophobicContact CD2-CB 4.13Å; Y367-A373 HydrophobicContact CE2-CB 3.5Å; Y367-A373 VanDerWaalsContact CE2-CB 3.5Å
374L98.3Very high95.1Very high19 Ų1971.1 Ų71.110%0.09932%0.316CS..EExtended strand (participates in β ladder)trans-102.1121.7155.5-68175.3000108T341 I343 L349 R359 R362 L376T341-L374 PolarHBondContact N-O 3.25Å; T341-L374 PolarHBondContact O-N 3.47Å; I343-L374 HydrophobicContact CB-CG 4.38Å; I343-L374 HydrophobicContact CD1-CD1 4.45Å; I343-L374 HydrophobicContact CD1-CD2 4.34Å; I343-L374 HydrophobicContact CD1-CG 4.32Å; I343-L374 HydrophobicContact CG1-CD1 4.01Å; I343-L374 HydrophobicContact CG1-CG 4.11Å; L349-L374 HydrophobicContact CD1-CD1 4.28Å; L349-L374 HydrophobicContact CD2-CB 4.28Å; L349-L374 HydrophobicContact CD2-CD1 3.75Å; R359-L374 HydrophobicContact CG-CD1 4.47Å; R362-L374 HydrophobicContact CB-CD2 4.1Å; R362-L374 HydrophobicContact CG-CD2 4.39Å; L374-L376 HydrophobicContact CB-CD2 4.16Å
375R98.4Very high94.9Very high70 Ų7066.4 Ų66.426%0.26430%0.296SS..EExtended strand (participates in β ladder)trans-73.4125.6160.8173.8168.6-75.3164.81.1108L339 E340 D360 K361 L363L339-R375 CarbonylContact O-C 3.58Å; L339-R375 VanDerWaalsContact O-CA 3.3Å; L339-R375 WeakPolarHBondContact O-CA 3.47Å; E340-R375 HydrophobicContact CG-CB 4.45Å; E340-R375 IonicContact OE1-CZ 3.41Å; E340-R375 IonicContact OE1-NE 3.74Å; E340-R375 PolarHBondContact OE1-NE 2.84Å; E340-R375 IonicContact OE1-NH2 3.19Å; E340-R375 PolarHBondContact OE1-NH2 3.27Å; E340-R375 IonicContact OE2-NH2 2.7Å; D360-R375 HydrophobicContact CB-CG 4.17Å; D360-R375 PolarHBondContact N-O 3.23Å; D360-R375 VanDerWaalsContact OD2-CD 3.29Å; D360-R375 WeakPolarHBondContact OD2-CD 3.49Å; K361-R375 HydrophobicContact CB-CB 4.32Å; K361-R375 PolarHBondContact N-O 3.16Å; K361-R375 PolarHBondContact O-N 2.74Å; L363-R375 HydrophobicContact CD1-CB 4.42Å
376L98.6Very high94.9Very high0 Ų057.9 Ų57.90%027%0.266CS..EExtended strand (participates in β ladder)trans-107152.9170.8-47.3-175.6000109.9V338 L339 L349 Y352 F357 V358 R359 L374V338-L376 VanDerWaalsContact CA-O 3.31Å; V338-L376 WeakPolarHBondContact CA-O 3.48Å; L339-L376 HydrophobicContact CD1-CB 4.24Å; L339-L376 HydrophobicContact CD1-CD1 4.07Å; L339-L376 HydrophobicContact CD1-CG 4.14Å; L339-L376 HydrophobicContact CG-CB 4.17Å; L339-L376 PolarHBondContact N-O 2.76Å; L339-L376 VanDerWaalsContact N-O 3.11Å; L339-L376 PolarHBondContact O-N 3.2Å; L349-L376 HydrophobicContact CD2-CD1 4.29Å; L349-L376 HydrophobicContact CD2-CD2 4.18Å; Y352-L376 VanDerWaalsContact CB-CD1 3.49Å; Y352-L376 HydrophobicContact CD2-CD1 3.89Å; Y352-L376 HydrophobicContact CG-CD1 4.04Å; F357-L376 HydrophobicContact CB-CB 4.04Å; F357-L376 HydrophobicContact CB-CD1 4.42Å; F357-L376 HydrophobicContact CD1-CB 4.16Å; V358-L376 CarbonylContact O-C 3.58Å; V358-L376 VanDerWaalsContact O-CA 3.26Å; V358-L376 WeakPolarHBondContact O-CA 3.41Å; R359-L376 HydrophobicContact CB-CD2 4.2Å; R359-L376 HydrophobicContact CG-CD2 3.67Å; L374-L376 HydrophobicContact CB-CD2 4.16Å
377K98.1Very high94.8Very high23 Ų2354.9 Ų54.910%0.126%0.257CS..EExtended strand (participates in β ladder)trans-140.4139.7179.5-179.4179.7-73.5165.10111.3E336 V337 V338 F357 V358 D360 W379E336-K377 HydrophobicContact CB-CG 4.49Å; E336-K377 VanDerWaalsContact OE2-CD 3.26Å; E336-K377 WeakPolarHBondContact OE2-CD 3.38Å; E336-K377 WeakPolarHBondContact OE2-CE 3.44Å; E336-K377 IonicContact OE2-NZ 2.74Å; E336-K377 PolarHBondContact OE2-NZ 3.24Å; V337-K377 CarbonylContact O-C 3.56Å; V337-K377 WeakPolarHBondContact O-CA 3.19Å; V338-K377 HydrophobicContact CG1-CB 3.95Å; V338-K377 HydrophobicContact CG1-CD 4.38Å; V338-K377 HydrophobicContact CG1-CG 3.84Å; F357-K377 CarbonylContact C-O 3.59Å; F357-K377 WeakPolarHBondContact CA-O 3.3Å; V358-K377 PolarHBondContact N-O 2.8Å; V358-K377 PolarHBondContact O-N 2.67Å; D360-K377 HydrophobicContact CB-CB 3.94Å; D360-K377 VanDerWaalsContact OD1-CE 3.31Å; D360-K377 WeakPolarHBondContact OD1-CE 3.42Å; D360-K377 IonicContact OD1-NZ 3.67Å; D360-K377 PolarHBondContact OD1-NZ 2.7Å; K377-W379 HydrophobicContact CD-CD2 4.02Å; K377-W379 HydrophobicContact CD-CH2 4.04Å; K377-W379 HydrophobicContact CD-CZ2 3.42Å; K377-W379 VanDerWaalsContact CD-CZ2 3.42Å; K377-W379 HydrophobicContact CG-CD2 4.2Å; K377-W379 HydrophobicContact CG-CE3 4.43Å; K377-W379 HydrophobicContact CG-CH2 4.45Å; K377-W379 HydrophobicContact CG-CZ2 4.22Å
378L98.3Very high94.8Very high14 Ų1456.8 Ų56.87%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-119122.8167.3173.467.2000108I326 E336 V337 F357 L380I326-L378 HydrophobicContact CD1-CD2 3.79Å; I326-L378 HydrophobicContact CG1-CD2 4.48Å; I326-L378 HydrophobicContact CG2-CD2 4.44Å; E336-L378 CarbonylContact C-O 3.57Å; E336-L378 VanDerWaalsContact CA-O 3.3Å; E336-L378 WeakPolarHBondContact CA-O 3.39Å; V337-L378 PolarHBondContact N-O 2.76Å; V337-L378 PolarHBondContact O-N 2.99Å; F357-L378 HydrophobicContact CD1-CB 3.72Å; F357-L378 HydrophobicContact CD2-CB 4.06Å; F357-L378 HydrophobicContact CD2-CD2 4.4Å; F357-L378 HydrophobicContact CE1-CB 3.68Å; F357-L378 HydrophobicContact CE2-CB 4.03Å; F357-L378 HydrophobicContact CE2-CD2 3.9Å; F357-L378 HydrophobicContact CG-CB 3.91Å; F357-L378 HydrophobicContact CZ-CB 3.84Å; F357-L378 HydrophobicContact CZ-CD2 4.1Å; L378-L380 HydrophobicContact CD2-CD2 3.93Å; L378-L380 HydrophobicContact CG-CD2 4.12Å
379W96.7Very high95.2Very high122 Ų12250 Ų5046%0.46223%0.23SC..EExtended strand (participates in β ladder)trans-85.1139169.5-61.9-95.5000109.5V358 K377V358-W379 HydrophobicContact CB-CH2 4.42Å; V358-W379 HydrophobicContact CB-CZ3 3.87Å; V358-W379 HydrophobicContact CG2-CZ3 3.92Å; K377-W379 HydrophobicContact CD-CD2 4.02Å; K377-W379 HydrophobicContact CD-CH2 4.04Å; K377-W379 HydrophobicContact CD-CZ2 3.42Å; K377-W379 VanDerWaalsContact CD-CZ2 3.42Å; K377-W379 HydrophobicContact CG-CD2 4.2Å; K377-W379 HydrophobicContact CG-CE3 4.43Å; K377-W379 HydrophobicContact CG-CH2 4.45Å; K377-W379 HydrophobicContact CG-CZ2 4.22Å
380L93.7Very high95.6Very high15 Ų1547.1 Ų47.18%0.07921%0.211CC..  trans-115.3-17.5179.5-62.6170.4000112.2I326 V330 C334 D335 V337 L378I326-L380 HydrophobicContact CG2-CD2 4.04Å; V330-L380 HydrophobicContact CG2-CD1 3.78Å; V330-L380 HydrophobicContact CG2-CD2 4.28Å; C334-L380 HydrophobicContact CB-CD1 4.14Å; C334-L380 WeakPolarHBondContact O-CD1 3.47Å; D335-L380 WeakPolarHBondContact O-CB 3.29Å; D335-L380 PolarHBondContact O-N 2.99Å; V337-L380 HydrophobicContact CG2-CD1 3.71Å; L378-L380 HydrophobicContact CD2-CD2 3.93Å; L378-L380 HydrophobicContact CG-CD2 4.12Å
381R80.5Confident95.7Very high215 Ų21548.5 Ų48.581%0.81120%0.201SC*.  trans-144.40-176.5-155.1178.1-145.8149.47.6110.9D335D335-R381 HydrophobicContact CB-CB 4.43Å; D335-R381 PolarHBondContact O-N 2.71Å; D335-R381 WeakPolarHBondContact OD1-CD 3.46Å; D335-R381 IonicContact OD1-NH1 2.7Å

Retrieved 381 of 381 residues in 581.8 ms (Link to these results)