A0A087XS52_POEFO Loading...

Ribosome biogenesis protein BRX1 homolog

Required for biogenesis of the 60S ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A087XS52, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.1Very low33.2Very low243 Ų243159 Ų159100%1.19784%0.843SS**  0105.20-66.5153.1171.900105.8
2R34.4Very low33.2Very low240 Ų240160.7 Ų160.791%0.90684%0.842SS**  65.194.964.4-84.9-160.1-179.6-164.72.3115
3S36.1Very low34.3Very low108 Ų108155.4 Ų155.476%0.75582%0.823SS**  trans-161.6114.4138.152.50000105.6
4L36.7Very low33.8Very low150 Ų150158.8 Ų158.879%0.78583%0.828SS**  55.2135.863.7-58.2170.8000111.6
5S33.5Very low33.5Very low111 Ų111155.1 Ų155.178%0.77682%0.822SS**  cis-173.4169.6-10.650.80000107.4
6A34.4Very low33.3Very low91 Ų91154.1 Ų154.175%0.75282%0.815SS**  cis-153.7178.89.700000110.8
7D31.1Very low32.9Very low146 Ų146158.6 Ų158.678%0.78182%0.819SS**  trans-73.1163.1169.4-47.7-83.3000113.6
8W29.8Very low32.6Very low234 Ų234162 Ų16289%0.88682%0.819SS**  trans-160.6135.4130.6-96.697.9000111.3
9Y31.3Very low32.4Very low208 Ų208157 Ų15782%0.81681%0.813SS**  trans-34.1152167.7-52.9-107.3000115.1
10G28Very low32.1Very low67 Ų67159 Ų15969%0.69182%0.815SS**  cis137.8119.47.200000110.5
11T30.7Very low32Very low151 Ų151160.9 Ų160.993%0.92682%0.818SS**  trans-164.4127.9166.912.50000111.5
12E33.8Very low31.5Very low179 Ų179160.6 Ų160.684%0.83681%0.805SS**  trans-137.2172.7171.7-108.4-158.3-152.700107.1
13P46.5Very low31.2Very low92 Ų92157.2 Ų157.260%0.59780%0.797SS**  cis-134.1176.4-36.736.5-21.2000111.4
14F27.8Very low30.9Very low203 Ų203157.7 Ų157.789%0.8980%0.8SS**  trans-144.8109149.9-115.3-82000111.4
15S29.3Very low30.7Very low104 Ų104157.8 Ų157.873%0.72780%0.796SS**  trans-127.8113.5177.9176.40000109
16L29.8Very low30.4Very low138 Ų138160.1 Ų160.172%0.72380%0.799SS**  trans-98.995.6179.3-82.9167000110.7
17R27.2Very low30.1Very low232 Ų232163.6 Ų163.688%0.87580%0.803SS**  trans-106.196.2176.6-167-176.1-149.1-145.46.7110.6G19R17-G19 PolarHBondContact O-N 3.43Å
18W28.1Very low30Very low219 Ų219163 Ų16383%0.8381%0.805SS**  trans-87.197.8172.6-76.793.9000111.2
19G27.2Very low29.9Very low67 Ų67155.2 Ų155.269%0.69180%0.797SS**  trans-94.7115.9171.100000111.6R17R17-G19 PolarHBondContact O-N 3.43Å
20F27.7Very low29.8Very low196 Ų196152.4 Ų152.486%0.8680%0.797SS**  trans-82.7115.2170.8-96.8-93.9000110.8
21K29.3Very low29.8Very low200 Ų200153 Ų15387%0.8779%0.79SS**  trans-74.6122.8169.2-80.9179.3172.8176.80109.9
22Y28.6Very low29.8Very low236 Ų236156.3 Ų156.393%0.92579%0.785SS**  trans-73.2132.5156.5-90.2-100.5000108.9
23K28.3Very low29.6Very low170 Ų170154.8 Ų154.874%0.73978%0.783SS**  trans-112.2114.2171.6-152.4-168.9-171.4-149.60108E25K23-E25 WeakPolarHBondContact CE-OE1 3.44Å; K23-E25 IonicContact NZ-OE1 3.97Å; K23-E25 PolarHBondContact NZ-OE1 2.98Å
24S30.1Very low28.8Very low118 Ų118158.2 Ų158.283%0.82580%0.795SS**  trans-97.311917452.40000109.1
25E31.6Very low28.7Very low151 Ų151159.3 Ų159.371%0.70679%0.793SS**  trans-121.7134.2168-84.2167.8-165.600109.1K23K23-E25 WeakPolarHBondContact CE-OE1 3.44Å; K23-E25 IonicContact NZ-OE1 3.97Å; K23-E25 PolarHBondContact NZ-OE1 2.98Å
26L27.6Very low28.6Very low160 Ų160161 Ų16184%0.83880%0.798SS**  trans-134.3111.6-169.1-141.1172.7000105.3
27I29.2Very low28.5Very low164 Ų164163.1 Ų163.184%0.84180%0.802SS**  trans-131.4140.5174.2-63.1-175.9000108.6
28V29Very low28.5Very low133 Ų133156.7 Ų156.781%0.80680%0.799SS**  trans-106.9152.2-169.9171.60000109.9
29G27.6Very low28.7Very low71 Ų71151.7 Ų151.773%0.73280%0.798SS**  trans117133.7164.200000114
30D28.6Very low29.1Very low150 Ų150154.7 Ų154.780%0.80281%0.805SS**  cis168.3153.2-23.9171.117000104.3
31S28.8Very low29.1Very low78 Ų78153.4 Ų153.455%0.54580%0.804SS.*  trans79.6121.2155.5-82.60000122.4
32R29.8Very low29.2Very low221 Ų221148.6 Ų148.683%0.83480%0.795SS**  trans93.4106.2140-64.4165.1-159.5-157.23.3120.3
33D29.5Very low29.2Very low148 Ų148149.7 Ų149.779%0.79180%0.797SS**  15.8131.2127.4-51.4-46.7000119.6
34I29.3Very low29.6Very low164 Ų164147.4 Ų147.484%0.84180%0.798SS**  -164.4136.5122.3-97.6149.6000109.7
35W26.7Very low29.7Very low225 Ų225147 Ų14785%0.85280%0.795SS**  trans-79.5139.7168.8-7865.2000111
36V27.5Very low29.7Very low139 Ų139148.7 Ų148.784%0.84280%0.803SS**  trans-154137.3143.7159.20000110.9
37F27.7Very low29.9Very low183 Ų183148.8 Ų148.880%0.80380%0.804SS**  trans-66.2140.1167.3-95.3-122.8000112.7
38A27Very low30.3Very low97 Ų97148.6 Ų148.680%0.80281%0.81SS**  trans-166112.7141.400000113
39S31.6Very low30.7Very low115 Ų115145.6 Ų145.680%0.80480%0.799SS**  trans-85.2160.1148.3-63.50000108.8
40P34.8Very low31.1Very low130 Ų130149.1 Ų149.184%0.84481%0.806SS**  -130.6153.8126.818.6-0.5000113.4
41M29.4Very low31.2Very low169 Ų169150 Ų15083%0.83381%0.81SS**  trans-83.7157.6180-75.5168.155.500112.9
42S31.6Very low31.4Very low98 Ų98154.8 Ų154.869%0.68583%0.828SS**  trans69.2134.115574.50000118.4
43W27.2Very low31.4Very low259 Ų259148.9 Ų148.998%0.98182%0.819SS**  -145.3136112.7-110.940.7000107.5
44T36.5Very low31.4Very low122 Ų122152.5 Ų152.575%0.74882%0.824SS**  trans-96.4168.3-178.542.50000111.1
45S33.2Very low31.4Very low109 Ų109149.3 Ų149.376%0.76282%0.822SS**  trans7490.2171.1-58.70000117.3
46Q32.3Very low31.5Very low188 Ų188145.5 Ų145.588%0.87982%0.823SS**  175.8111.2111.1-93.6169.215.200110.8
47L31.3Very low31.5Very low162 Ų162145 Ų14585%0.84882%0.824SS**  trans167.162.6148.8-93.2160.6000110.7A49L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A49 PolarHBondContact O-N 2.97Å
48V37.1Very low31.6Very low160 Ų160144.9 Ų144.997%0.9783%0.826SS**  trans-93.372.6165.9-176.90000108.7
49A37.6Very low31.9Very low70 Ų70146.2 Ų146.258%0.57983%0.826SS**  trans-157.3151.4165.900000108.8L47L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A49 PolarHBondContact O-N 2.97Å
50V35Very low31.7Very low145 Ų145146.1 Ų146.188%0.87983%0.826SS**SBendtrans67.757.7177.7-158.40000115.4
51L31.5Very low31.3Very low169 Ų169149.5 Ų149.589%0.88583%0.828SS**  trans-152.837.8151.9-115168.7000113.9
52L32.5Very low31.3Very low178 Ų178147.7 Ų147.793%0.93283%0.826SS**  trans-113.356.1173.3-104.6170.1000111.8
53C30.5Very low31.3Very low96 Ų96152.8 Ų152.865%0.64984%0.836SS**SBendtrans-148.7144.2166.9-119.30000111.8
54Y29.4Very low31.3Very low224 Ų224145.9 Ų145.988%0.87883%0.827SS**  trans69.967.9173.6-57.4-75.1000119.3
55A29.1Very low31.1Very low98 Ų98152.1 Ų152.181%0.8184%0.837SS**  trans-146.538.5162.500000116.4
56V29.5Very low30.9Very low144 Ų144158.6 Ų158.687%0.87385%0.845SS**  trans-144.691.9164.4-168.80000112.9
57C27.8Very low30.8Very low129 Ų129161.4 Ų161.487%0.87285%0.847SS**  trans-160.996.9149.3-133.20000112.5
58H30.1Very low30.7Very low181 Ų181165.3 Ų165.384%0.83885%0.851SS**  trans-142.6122.3160.7-128.2-68.2000107.7S60H58-S60 PolarHBondContact O-N 2.92Å
59P31.5Very low30.3Very low124 Ų124169.8 Ų169.881%0.80585%0.85SS**  trans-82.4115.3-177.230-32.1000111.1
60S28.4Very low29.8Very low113 Ų113171.8 Ų171.879%0.7986%0.86SS**  trans-87.6124.9172.1-68.30000111.6H58H58-S60 PolarHBondContact O-N 2.92Å
61F26Very low29.5Very low202 Ų202171.4 Ų171.489%0.88686%0.862SS**  trans-55.4131.7173.2-136.2-112.7000112
62T29.7Very low29.4Very low131 Ų131169.6 Ų169.680%0.80486%0.858SS**  trans-130.8130.916453.70000110.8
63K30.7Very low29.2Very low205 Ų205166 Ų16689%0.89185%0.848SS**  trans-75.9136.5176-73.4174.8174.2174.50109.7
64S28Very low29.2Very low113 Ų113170.6 Ų170.679%0.7986%0.862SS**  trans-133.6136.5158.264.10000111
65R31.6Very low29.1Very low254 Ų254164.9 Ų164.996%0.95886%0.861SS**  trans-65.2130176.2-83.7169.8157.1165.1-8.7109.4
66R30.5Very low29.3Very low245 Ų245165 Ų16593%0.92586%0.862SS**  trans-109.8124.5159-96.1-176.9170.1175.1-3.8110.1
67R29.6Very low29.4Very low246 Ų246167.9 Ų167.993%0.92886%0.863SS**  trans-67.1141.8171-78.7174.8163.1165-7.2109.5
68R28.9Very low29.5Very low245 Ų245171.4 Ų171.493%0.92586%0.864SS**  trans-69.6131.4165.4-73174.7169.1169.8-5.8109.3
69R29.1Very low29.7Very low254 Ų254174.5 Ų174.596%0.95887%0.868SS**  trans-139.4148.9143.3-81.4-163.2171.9170.1-3.4108.6
70S27.5Very low29.7Very low112 Ų112178.4 Ų178.478%0.78387%0.872SS**  trans-85.6145.6-167.542.80000113
71C27.5Very low29.8Very low136 Ų136184.8 Ų184.892%0.91988%0.879SS**  trans-123.1135.2154.1-76.60000109.1
72T30.1Very low29.8Very low131 Ų131179.2 Ų179.280%0.80488%0.879SS**  trans-81.1135.2-173.621.50000112.6
73S28Very low29.7Very low102 Ų102176.7 Ų176.771%0.71388%0.879SS**  trans31.4114.8136.662.90000120.8
74M29.3Very low29.6Very low193 Ų193175.3 Ų175.395%0.95188%0.881SS**  trans-130.1134.4134.2-84.6-67.8-93.900107.9
75A29.3Very low29.5Very low105 Ų105173.8 Ų173.887%0.86888%0.884SS**  trans-93.2145.2-169.400000112.6
76A31.9Very low29.4Very low100 Ų100166.4 Ų166.483%0.82688%0.877SS**  trans-128.4133.6168.900000110.3
77F31.1Very low29.3Very low204 Ų204160.2 Ų160.290%0.89587%0.871SS**PPolyproline II helixtrans-56.8133.2-163.1-94-114.4000116.4
78K31.5Very low29.3Very low204 Ų204154.2 Ų154.289%0.88786%0.857SS**PPolyproline II helixtrans-69.4130.2152.4-103.3175173.7173.10108.9
79R33.4Very low29.4Very low245 Ų245150.2 Ų150.293%0.92585%0.847SS**PPolyproline II helixtrans-97.8128.2158.5-75.3-173.3178.6172.30.4109.8
80K31.2Very low29.4Very low206 Ų206147.4 Ų147.490%0.89684%0.841SS**  trans-104.8147.8179.6-164.8-176.6-179.7-170.40108.3
81R31.1Very low29.7Very low247 Ų247146 Ų14693%0.93284%0.844SS**  trans-79.4152.8171.4-77.8178.7168.8177.1-6.2111
82G26.5Very low29.8Very low86 Ų86149.4 Ų149.489%0.88784%0.844SS**  trans122.4133.216000000114.4
83G26.1Very low29.9Very low77 Ų77153.2 Ų153.279%0.79485%0.849SS**  trans137.1117.8171.400000113.5
84D28.6Very low30Very low177 Ų177152.1 Ų152.195%0.94785%0.854SS**  trans-74.4164.3-173.9-61.7-81.4000115.8
85G27.1Very low30Very low81 Ų81152.5 Ų152.584%0.83585%0.851SS**  trans-175.7110169.200000111.2
86A28.8Very low29.8Very low99 Ų99156.8 Ų156.882%0.81885%0.85SS**  trans-89.9148.5-174.700000113.2
87S28.3Very low29.8Very low115 Ų115158 Ų15880%0.80485%0.847SS**  168.7142118.947.30000115.1
88D30.4Very low29.8Very low119 Ų119153.5 Ų153.564%0.63684%0.836SS**  trans65.7107.2142.6-81.9-8.8000125.6
89K31.1Very low29.6Very low162 Ų162151.3 Ų151.370%0.70483%0.834SS**  99.2123.1113.2-78.8166.9-172.3149.10122
90K29.1Very low29.3Very low194 Ų194149.1 Ų149.184%0.84383%0.831SS**  trans69.597.5143.8-69.9-177.8175.8178.60118.7
91G32.3Very low29.2Very low82 Ų82142.7 Ų142.785%0.84582%0.823SS**  trans-70.1156.7146.800000111.8
92K31.2Very low29Very low208 Ų208140.5 Ų140.590%0.90482%0.823SS**  trans-137.1115.4172.8-153.7176.9-174.2-175.50109.4
93K30.8Very low29Very low211 Ų211142.9 Ų142.992%0.91782%0.821SS**PPolyproline II helixtrans-71.8133.3169.5-69.8177.8174.3179.40108.9
94G31.3Very low29.8Very low80 Ų80144.7 Ų144.783%0.82582%0.819SS**PPolyproline II helixtrans-99.3135.8167.100000110.3
95K28.1Very low30.3Very low201 Ų201142 Ų14287%0.87481%0.811SS**PPolyproline II helixtrans-82.9151.2-175.3-81179.3170.4-178.20112.6
96F26.3Very low30.5Very low195 Ų195146.9 Ų146.986%0.85581%0.812SS**PPolyproline II helixtrans-69135154.8-126.7-103.9000109.4V98F96-V98 HydrophobicContact CD1-CG2 4.47Å
97V31Very low30.5Very low125 Ų125149.1 Ų149.176%0.75882%0.816SS**  trans-138.6136.9160178.40000106.8
98V31.4Very low30.8Very low109 Ų109151.7 Ų151.766%0.66182%0.815SS**  trans-101.1139.4175.4170.90000107.4F96F96-V98 HydrophobicContact CD1-CG2 4.47Å
99D28.3Very low30.9Very low159 Ų159154.8 Ų154.885%0.8583%0.826SS**  trans-141.8155.9157.6-127.6-31.3000111.6
100K27.4Very low31.1Very low199 Ų199154.9 Ų154.987%0.86583%0.829SS**  trans-112.7149.4-174.7-67.4177174.7-179.50110.7
101G27.6Very low31.2Very low70 Ų70152.4 Ų152.472%0.72283%0.83SS**  trans15393.7159.200000117
102E27Very low31.6Very low201 Ų201156.4 Ų156.494%0.93983%0.826SS**  trans59.2139.2137.5-64.2171.2-177.600123.3
103T28Very low32.4Very low136 Ų136154 Ų15483%0.83482%0.824SS**  trans-93.3-176174.749.50000111.2
104P41.9Very low33Very low116 Ų116152 Ų15275%0.75382%0.818SS**  cis-133.5-152.56.545.1-24.2000111.5
105P39.9Very low33.9Very low121 Ų121153.9 Ų153.979%0.78681%0.812SS**  cis-129.9-163.5-4.942.5-22.5000115.9
106E29.6Very low34.7Very low182 Ų182149.8 Ų149.885%0.8581%0.805SS**  trans-85.8151.1-156.5-57.8153.2150.700116.1
107T30.6Very low36.2Very low147 Ų147145.4 Ų145.490%0.90279%0.794SS**  trans-145.8141.8146.7-45.30000109.1
108E34.4Very low37.5Very low169 Ų169143.1 Ų143.179%0.7978%0.781SS**  trans-82.9178.8-170.5-55.1173.6138.400114.4
109Q32.2Very low38.8Very low184 Ų184143 Ų14386%0.8678%0.783SS**  trans84129.4176.5-50.4168.815.900113.9
110E34.3Very low40.2Very low164 Ų164140 Ų14077%0.76677%0.772SS**  cis-136.6140.17.2-59.4175.6143.100110.6Q112E110-Q112 PolarHBondContact O-N 3.05Å; E110-Q112 VanDerWaalsContact O-N 3.08Å
111T32.9Very low41.7Very low141 Ų141134 Ų13487%0.86575%0.752SS**  trans-77.893.6173.748.40000111.4
112Q40.7Very low43.1Very low166 Ų166132.5 Ų132.578%0.77673%0.73SS**  trans-67.1134.4160.6-64.4-174.54.100109.1E110 E114E110-Q112 PolarHBondContact O-N 3.05Å; E110-Q112 VanDerWaalsContact O-N 3.08Å; Q112-E114 PolarHBondContact O-N 2.85Å
113N47.2Very low44.5Very low159 Ų159131 Ų13185%0.8573%0.725SS**  trans-71.671.9176.2-74.6-42000110.9V115N113-V115 PolarHBondContact O-N 3.41Å
114E43.2Very low46.3Very low169 Ų169128.1 Ų128.179%0.7972%0.723SS**  trans-70.898.7168.6-169.1169-147.100108.2Q112 T116Q112-E114 PolarHBondContact O-N 2.85Å; E114-T116 PolarHBondContact O-N 2.68Å; E114-T116 PolarHBondContact O-OG1 2.94Å
115V49.9Very low47.9Very low118 Ų118128.9 Ų128.972%0.71571%0.714SS**  trans-67.388.6172.9179.30000107.9N113 V117N113-V115 PolarHBondContact O-N 3.41Å; V115-V117 PolarHBondContact O-N 3.2Å
116T44.8Very low49.8Very low116 Ų116125 Ų12571%0.71268%0.684SS**  trans-59.898.9175.2-47.70000108.6E114 P118E114-T116 PolarHBondContact O-N 2.68Å; E114-T116 PolarHBondContact O-OG1 2.94Å; T116-P118 WeakPolarHBondContact O-CD 3.18Å
117V58.4Low51.9Low103 Ų103122.3 Ų122.362%0.62468%0.68SS**PPolyproline II helixtrans-57.1116.8178.2179.10000107.4V115V115-V117 PolarHBondContact O-N 3.2Å
118P59.1Low54.2Low76 Ų76118.6 Ų118.649%0.49466%0.655SS.*PPolyproline II helixtrans-62.3150.1-173.723.7-33.3000110.4T116T116-P118 WeakPolarHBondContact O-CD 3.18Å
119P58.5Low56.6Low108 Ų108116.5 Ų116.570%0.70164%0.643SS**PPolyproline II helixtrans-54.1150.1177.523.9-34.4000110.6V121P119-V121 PolarHBondContact O-N 3.47Å
120P57.3Low59.4Low96 Ų96108.7 Ų108.762%0.62361%0.607SS**  trans-55.2111.9-170.921.5-33.5000111S122P120-S122 PolarHBondContact O-N 3.22Å
121V58.3Low62.2Low73 Ų73103.6 Ų103.644%0.44258%0.58SS.*SBendtrans-60.22.6-175.1-75.90000115.1P119 M123 Y264P119-V121 PolarHBondContact O-N 3.47Å; V121-M123 VanDerWaalsContact C-N 3.29Å; V121-M123 PolarHBondContact O-N 3.03Å; V121-Y264 HydrophobicContact CB-CD1 3.88Å; V121-Y264 HydrophobicContact CB-CE1 4.06Å; V121-Y264 HydrophobicContact CG2-CD1 3.75Å; V121-Y264 HydrophobicContact CG2-CE1 4.24Å; V121-Y264 WeakPolarHBondContact O-CD1 3.21Å
122S57.1Low65.1Low38 Ų3896.9 Ų96.927%0.26654%0.539SS..  trans-86.738.3-17769.50000114.2P120 G124 Y264P120-S122 PolarHBondContact O-N 3.22Å; S122-G124 PolarHBondContact O-N 3.44Å; S122-Y264 VanDerWaalsContact CB-O 3.25Å; S122-Y264 WeakPolarHBondContact CB-O 3.33Å
123M56.8Low67.8Low168 Ų16889 Ų8983%0.82850%0.502SS*.SBendtrans-6879.1172.1-70.5-69.2-83.300110.2V121 K125V121-M123 VanDerWaalsContact C-N 3.29Å; V121-M123 PolarHBondContact O-N 3.03Å; M123-K125 PolarHBondContact O-N 2.9Å
124G65.8Low70.1Confident77 Ų7781.4 Ų81.479%0.79446%0.462SS*.SBendtrans73-23.1178.400000116.4S122 W126S122-G124 PolarHBondContact O-N 3.44Å; G124-W126 PolarHBondContact O-N 3.42Å
125K74.5Confident72.6Confident131 Ų13173.5 Ų73.557%0.5743%0.425SS*.  trans-69.82.2-171.8-62.8-178.3-178.4-178.60116.4M123 T127 Y264M123-K125 PolarHBondContact O-N 2.9Å; K125-T127 PolarHBondContact O-N 2.97Å; K125-Y264 HydrophobicContact CB-CD2 3.47Å; K125-Y264 VanDerWaalsContact CB-CD2 3.47Å; K125-Y264 HydrophobicContact CB-CE2 3.59Å; K125-Y264 HydrophobicContact CB-CG 4.17Å; K125-Y264 HydrophobicContact CD-CE2 3.97Å; K125-Y264 HydrophobicContact CG-CE2 4.41Å; K125-Y264 WeakPolarHBondContact O-CD2 3.48Å
126W80.4Confident74.8Confident41 Ų4167.9 Ų67.916%0.15539%0.391CS..  trans-77.687.1179.4-176.624.2000111.5G124 N128 K129 H265 P266G124-W126 PolarHBondContact O-N 3.42Å; W126-N128 PolarHBondContact NE1-O 2.81Å; W126-K129 HydrophobicContact CD2-CG 3.89Å; W126-K129 HydrophobicContact CE3-CG 4.22Å; W126-K129 HydrophobicContact CG-CG 4.33Å; W126-K129 HydrophobicContact CH2-CG 4.41Å; W126-K129 HydrophobicContact CZ2-CB 4.11Å; W126-K129 HydrophobicContact CZ2-CG 4.07Å; W126-K129 HydrophobicContact CZ3-CG 4.48Å; W126-K129 WeakPolarHBondContact O-CE 3.29Å; W126-H265 AromaticContact CH2-CD2 3.98Å; W126-H265 AromaticContact CZ2-CD2 3.68Å; W126-P266 HydrophobicContact CE3-CG 4.41Å; W126-P266 HydrophobicContact CZ3-CG 4.35Å
127T74.5Confident77.1Confident124 Ų12462.7 Ų62.776%0.76136%0.359SS*.  trans-75.4-58.2-177.3520000112.8K125 K129K125-T127 PolarHBondContact O-N 2.97Å; T127-K129 PolarHBondContact O-N 3.32Å
128N78.8Confident78.7Confident70 Ų7063.7 Ų63.737%0.37435%0.352SS..  trans-86.297.4-178.5-171.1-3.8000111.6W126 E130 P262W126-N128 PolarHBondContact NE1-O 2.81Å; N128-E130 PolarHBondContact ND2-OE1 2.95Å; N128-E130 PolarHBondContact ND2-OE2 2.79Å; N128-E130 PolarHBondContact O-N 2.89Å; N128-E130 WeakPolarHBondContact OD1-CG 3.36Å; N128-E130 PolarHBondContact OD1-N 2.96Å; N128-E130 PolarHBondContact OD1-OE1 2.89Å; N128-P262 WeakPolarHBondContact O-CB 3.12Å
129K85.1Confident80.2Confident125 Ų12561.5 Ų61.554%0.54334%0.344SS..  trans-82.245.3-178.1-66.8175-177168.40113.5W126 T127 N183W126-K129 HydrophobicContact CD2-CG 3.89Å; W126-K129 HydrophobicContact CE3-CG 4.22Å; W126-K129 HydrophobicContact CG-CG 4.33Å; W126-K129 HydrophobicContact CH2-CG 4.41Å; W126-K129 HydrophobicContact CZ2-CB 4.11Å; W126-K129 HydrophobicContact CZ2-CG 4.07Å; W126-K129 HydrophobicContact CZ3-CG 4.48Å; W126-K129 WeakPolarHBondContact O-CE 3.29Å; T127-K129 PolarHBondContact O-N 3.32Å; K129-N183 PolarHBondContact O-ND2 2.82Å
130E89.6Confident81.9Confident19 Ų1956.6 Ų56.69%0.08931%0.311CS..  trans-64.3138.4175.5-95.9161.9-159.100112.9N128 P262N128-E130 PolarHBondContact ND2-OE1 2.95Å; N128-E130 PolarHBondContact ND2-OE2 2.79Å; N128-E130 PolarHBondContact O-N 2.89Å; N128-E130 WeakPolarHBondContact OD1-CG 3.36Å; N128-E130 PolarHBondContact OD1-N 2.96Å; N128-E130 PolarHBondContact OD1-OE1 2.89Å; E130-P262 HydrophobicContact CB-CG 4.32Å
131R92.7Very high83.6Confident57 Ų5756 Ų5622%0.21530%0.303CS..  trans-146.9129.3-178.8-70.5169.1176.2169.25109.3N181 N183 K184R131-N181 WeakPolarHBondContact CD-O 3.34Å; R131-N181 PolarHBondContact NH1-ND2 3.05Å; R131-N181 PolarHBondContact NH1-O 2.88Å; R131-N181 VanDerWaalsContact NH1-O 3.14Å; R131-N181 PolarHBondContact NH1-OD1 3.25Å; R131-N183 PolarHBondContact O-N 3.44Å; R131-K184 PolarHBondContact O-N 2.73Å; R131-K184 VanDerWaalsContact O-N 3.14Å
132V95.2Very high85.2Confident0 Ų058.6 Ų58.60%031%0.308CS..EExtended strand (participates in β ladder)trans-109.5116.8-175-176.10000110.2I134 H157 S158 K159 K184 L186 T258V132-I134 HydrophobicContact CG1-CG1 4.01Å; V132-H157 PolarHBondContact N-O 2.6Å; V132-H157 VanDerWaalsContact N-O 3.14Å; V132-S158 CarbonylContact O-C 3.58Å; V132-S158 VanDerWaalsContact O-CA 3.27Å; V132-S158 WeakPolarHBondContact O-CA 3.31Å; V132-K159 PolarHBondContact O-N 3.45Å; V132-K184 WeakPolarHBondContact CA-O 3.3Å; V132-K184 HydrophobicContact CB-CB 4.32Å; V132-K184 HydrophobicContact CG1-CB 4.39Å; V132-K184 HydrophobicContact CG2-CB 3.88Å; V132-K184 HydrophobicContact CG2-CG 4.36Å; V132-L186 HydrophobicContact CG1-CB 4.37Å; V132-L186 HydrophobicContact CG1-CD1 3.86Å; V132-L186 HydrophobicContact CG1-CG 3.81Å; V132-T258 HydrophobicContact CG1-CG2 4.19Å; V132-T258 HydrophobicContact CG2-CG2 4.35Å; V132-T258 WeakPolarHBondContact CG2-O 3.45Å
133L96.3Very high86.9Confident0 Ų062.6 Ų62.60%032%0.318CS..EExtended strand (participates in β ladder)trans-75.5122.9169.9-169.671000109.4F135 K159 D161 V176 C177 K180 C182 K184 L186L133-F135 HydrophobicContact CD2-CD1 3.67Å; L133-F135 HydrophobicContact CD2-CE1 3.7Å; L133-F135 HydrophobicContact CG-CD1 3.85Å; L133-F135 HydrophobicContact CG-CE1 4.31Å; L133-K159 HydrophobicContact CD1-CB 4.39Å; L133-D161 HydrophobicContact CD1-CB 3.99Å; L133-V176 HydrophobicContact CD2-CB 4.49Å; L133-V176 HydrophobicContact CD2-CG1 3.8Å; L133-C177 VanDerWaalsContact CD2-SG 3.5Å; L133-K180 HydrophobicContact CD1-CB 4.2Å; L133-K180 HydrophobicContact CD1-CG 4.03Å; L133-C182 HydrophobicContact CB-CB 3.99Å; L133-K184 PolarHBondContact N-O 2.77Å; L133-L186 PolarHBondContact O-N 3.45Å
134I96.6Very high88.7Confident0 Ų055 Ų550%028%0.281CS..EExtended strand (participates in β ladder)trans-119109.7176.2-49.8-176.9000109.5V132 M148 L151 R152 M155 S158 K159 L186 F188V132-I134 HydrophobicContact CG1-CG1 4.01Å; I134-M148 HydrophobicContact CG2-CG 3.84Å; I134-L151 HydrophobicContact CD1-CB 4.37Å; I134-R152 HydrophobicContact CB-CG 4.14Å; I134-R152 HydrophobicContact CD1-CG 3.93Å; I134-R152 HydrophobicContact CG2-CG 4.24Å; I134-R152 PolarHBondContact O-NE 2.96Å; I134-R152 PolarHBondContact O-NH2 2.87Å; I134-M155 HydrophobicContact CD1-CE 3.53Å; I134-S158 VanDerWaalsContact CD1-CB 3.43Å; I134-K159 PolarHBondContact N-O 3.49Å; I134-L186 WeakPolarHBondContact CA-O 3.46Å; I134-L186 HydrophobicContact CD1-CD1 4.28Å; I134-L186 HydrophobicContact CG1-CB 4.27Å; I134-L186 HydrophobicContact CG1-CD1 4.21Å; I134-L186 HydrophobicContact CG2-CB 4.47Å; I134-F188 HydrophobicContact CG2-CD2 4.5Å; I134-F188 HydrophobicContact CG2-CE2 3.95Å
135F95.4Very high90Very high3 Ų357 Ų571%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-148.6179.8178.576.9-71.4000112.3L133 D161 M164 V173 L186 F187 F188L133-F135 HydrophobicContact CD2-CD1 3.67Å; L133-F135 HydrophobicContact CD2-CE1 3.7Å; L133-F135 HydrophobicContact CG-CD1 3.85Å; L133-F135 HydrophobicContact CG-CE1 4.31Å; F135-D161 HydrophobicContact CB-CB 4.23Å; F135-M164 HydrophobicContact CD2-CB 4.33Å; F135-M164 HydrophobicContact CE2-CB 3.88Å; F135-M164 HydrophobicContact CE2-SD 4.19Å; F135-V173 HydrophobicContact CE1-CG1 3.68Å; F135-V173 HydrophobicContact CE2-CG2 4.44Å; F135-V173 HydrophobicContact CZ-CB 4.14Å; F135-V173 HydrophobicContact CZ-CG1 3.52Å; F135-V173 HydrophobicContact CZ-CG2 3.7Å; F135-L186 PolarHBondContact N-O 2.96Å; F135-F187 HydrophobicContact CD1-CD2 4.36Å; F135-F187 AromaticContact CD2-CD2 3.86Å; F135-F187 HydrophobicContact CD2-CD2 3.86Å; F135-F187 HydrophobicContact CD2-CE2 4.15Å; F135-F187 HydrophobicContact CE1-CB 3.97Å; F135-F187 AromaticContact CE1-CD2 3.88Å; F135-F187 HydrophobicContact CE1-CD2 3.88Å; F135-F187 HydrophobicContact CE1-CG 4.29Å; F135-F187 AromaticContact CE2-CD2 3.29Å; F135-F187 HydrophobicContact CE2-CD2 3.29Å; F135-F187 AromaticContact CE2-CE2 3.53Å; F135-F187 HydrophobicContact CE2-CE2 3.53Å; F135-F187 HydrophobicContact CE2-CG 4.31Å; F135-F187 HydrophobicContact CG-CD2 4.34Å; F135-F187 HydrophobicContact CZ-CB 4.06Å; F135-F187 AromaticContact CZ-CD2 3.28Å; F135-F187 HydrophobicContact CZ-CD2 3.28Å; F135-F187 AromaticContact CZ-CE2 3.93Å; F135-F187 HydrophobicContact CZ-CE2 3.93Å; F135-F187 AromaticContact CZ-CG 3.88Å; F135-F187 HydrophobicContact CZ-CG 3.88Å; F135-F188 PolarHBondContact O-N 3Å
136S95.2Very high91Very high1 Ų154.2 Ų54.21%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-145.5149.2-169.555.10000113K163 M164 F188S136-K163 VanDerWaalsContact O-CA 3.24Å; S136-K163 WeakPolarHBondContact O-CA 3.2Å; S136-M164 PolarHBondContact O-N 3.1Å; S136-F188 WeakPolarHBondContact CA-O 3.39Å
137S94.2Very high91.6Very high7 Ų752.3 Ų52.35%0.04925%0.246CC..  trans-66.6155.8165.358.60000112.2M164 F188 E189 A190S137-M164 WeakPolarHBondContact CA-O 3.46Å; S137-F188 PolarHBondContact N-O 2.69Å; S137-F188 PolarHBondContact OG-O 3.08Å; S137-E189 WeakPolarHBondContact OG-CA 3.46Å; S137-A190 PolarHBondContact OG-N 3.4Å
138R91.9Very high92.6Very high123 Ų12347.1 Ų47.146%0.46421%0.213SC..THydrogen-bonded Turntrans-63.3141.1175.8-67.7-172.4-166.1165.73.1113K163 M164 D165 R166R138-K163 HydrophobicContact CG-CB 3.97Å; R138-K163 PolarHBondContact NE-O 2.99Å; R138-K163 VanDerWaalsContact NE-O 3.14Å; R138-M164 PolarHBondContact N-O 3.19Å; R138-D165 VanDerWaalsContact CD-OD1 3.29Å; R138-D165 WeakPolarHBondContact CD-OD1 3.45Å; R138-D165 IonicContact CZ-OD1 3.91Å; R138-D165 IonicContact CZ-OD2 3.84Å; R138-D165 IonicContact NE-OD1 3.25Å; R138-D165 PolarHBondContact NE-OD1 2.78Å; R138-D165 IonicContact NE-OD2 3.74Å; R138-D165 IonicContact NH1-OD1 2.69Å; R138-D165 PolarHBondContact NH1-OD1 3.23Å; R138-D165 IonicContact NH1-OD2 3.53Å; R138-D165 PolarHBondContact NH1-OD2 3.02Å; R138-D165 IonicContact NH2-OD1 3.75Å; R138-D165 IonicContact NH2-OD2 2.74Å; R138-D165 PolarHBondContact NH2-OD2 2.9Å; R138-R166 VanDerWaalsContact O-CZ 3.29Å; R138-R166 PolarHBondContact O-NE 3.32Å; R138-R166 PolarHBondContact O-NH2 3.36Å
139G91.1Very high93.4Very high31 Ų3145 Ų4532%0.3221%0.208SC..THydrogen-bonded Turntrans85.325.8176.300000115.8
140I93.4Very high93.8Very high4 Ų439.8 Ų39.82%0.02119%0.186CC..  trans-54.6145.5161.550.1170.9000112.7T144 R145 M148 A190I140-T144 HydrophobicContact CB-CG2 4.03Å; I140-T144 HydrophobicContact CG2-CG2 3.85Å; I140-R145 HydrophobicContact CD1-CB 4.48Å; I140-R145 HydrophobicContact CD1-CG 3.44Å; I140-R145 VanDerWaalsContact CD1-CG 3.44Å; I140-R145 HydrophobicContact CG1-CG 3.98Å; I140-R145 PolarHBondContact O-NE 2.86Å; I140-R145 PolarHBondContact O-NH2 3.36Å; I140-M148 HydrophobicContact CD1-CE 4.49Å; I140-A190 HydrophobicContact CB-CB 4.38Å; I140-A190 HydrophobicContact CG2-CB 3.76Å
141N93.3Very high94Very high83 Ų8339 Ų3944%0.44418%0.183SC..  trans-69.6165.2175.5-164.43.7000111.3T144 R145N141-T144 PolarHBondContact O-N 2.92Å; N141-R145 WeakPolarHBondContact O-CG 3.32Å; N141-R145 PolarHBondContact O-N 2.89Å; N141-R145 PolarHBondContact O-NE 3.14Å
142F92.6Very high94Very high129 Ų12939.6 Ų39.657%0.56619%0.185SC*.Hα-helixtrans-57-53.6175.7177.7-101.9000111.6T144 R145 H146F142-T144 VanDerWaalsContact C-N 3.25Å; F142-T144 PolarHBondContact O-N 2.9Å; F142-R145 WeakPolarHBondContact O-CB 3.44Å; F142-R145 PolarHBondContact O-N 3.36Å; F142-H146 AromaticContact CE1-CD2 3.69Å; F142-H146 AromaticContact CE1-NE2 3.65Å; F142-H146 AromaticContact CE2-CD2 3.94Å; F142-H146 AromaticContact CE2-NE2 3.37Å; F142-H146 WeakPolarHBondContact CE2-NE2 3.36Å; F142-H146 AromaticContact CZ-CD2 3.63Å; F142-H146 AromaticContact CZ-NE2 3.09Å; F142-H146 WeakPolarHBondContact CZ-NE2 3.41Å; F142-H146 PolarHBondContact O-CD2 3.32Å; F142-H146 PolarHBondContact O-N 2.88Å
143R92.4Very high93.8Very high122 Ų12242.7 Ų42.746%0.4620%0.204SC..Hα-helixtrans-58-35.6179.3-161.8179-57.9167.40.3113.3R145 H146 L147 I216 T218 E221R143-R145 VanDerWaalsContact C-N 3.31Å; R143-R145 PolarHBondContact O-N 2.95Å; R143-H146 PolarHBondContact O-N 3.07Å; R143-L147 PolarHBondContact O-N 3.32Å; R143-I216 WeakPolarHBondContact CD-O 3.46Å; R143-I216 HydrophobicContact CG-CG2 3.99Å; R143-I216 PolarHBondContact NH1-O 3.1Å; R143-I216 VanDerWaalsContact NH1-O 3.08Å; R143-T218 HydrophobicContact CG-CG2 3.73Å; R143-E221 IonicContact NE-OE1 3.95Å
144T93.3Very high93.6Very high8 Ų843 Ų435%0.04921%0.205CC..Hα-helixtrans-65.2-31175-49.30000113I140 N141 F142 M148 L196I140-T144 HydrophobicContact CB-CG2 4.03Å; I140-T144 HydrophobicContact CG2-CG2 3.85Å; N141-T144 PolarHBondContact O-N 2.92Å; F142-T144 VanDerWaalsContact C-N 3.25Å; F142-T144 PolarHBondContact O-N 2.9Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 PolarHBondContact O-N 3.36Å; T144-L196 HydrophobicContact CG2-CD1 3.67Å; T144-L196 HydrophobicContact CG2-CD2 3.63Å; T144-L196 HydrophobicContact CG2-CG 4.29Å
145R94.1Very high93.3Very high120 Ų12043 Ų4345%0.45321%0.205SC..Hα-helixtrans-68.6-41.4175.9-64.3162.2-152.11647.7110.9I140 N141 F142 R143 M148 G149I140-R145 HydrophobicContact CD1-CB 4.48Å; I140-R145 HydrophobicContact CD1-CG 3.44Å; I140-R145 VanDerWaalsContact CD1-CG 3.44Å; I140-R145 HydrophobicContact CG1-CG 3.98Å; I140-R145 PolarHBondContact O-NE 2.86Å; I140-R145 PolarHBondContact O-NH2 3.36Å; N141-R145 WeakPolarHBondContact O-CG 3.32Å; N141-R145 PolarHBondContact O-N 2.89Å; N141-R145 PolarHBondContact O-NE 3.14Å; F142-R145 WeakPolarHBondContact O-CB 3.44Å; F142-R145 PolarHBondContact O-N 3.36Å; R143-R145 VanDerWaalsContact C-N 3.31Å; R143-R145 PolarHBondContact O-N 2.95Å; R145-M148 PolarHBondContact O-N 3.03Å; R145-G149 PolarHBondContact O-N 3.2Å
146H94.3Very high93.2Very high71 Ų7143.6 Ų43.633%0.32921%0.21SC..Hα-helixtrans-63.4-53173.7-74.3-79.2000110.3F142 R143 M148 G149 D150 T218F142-H146 AromaticContact CE1-CD2 3.69Å; F142-H146 AromaticContact CE1-NE2 3.65Å; F142-H146 AromaticContact CE2-CD2 3.94Å; F142-H146 AromaticContact CE2-NE2 3.37Å; F142-H146 WeakPolarHBondContact CE2-NE2 3.36Å; F142-H146 AromaticContact CZ-CD2 3.63Å; F142-H146 AromaticContact CZ-NE2 3.09Å; F142-H146 WeakPolarHBondContact CZ-NE2 3.41Å; F142-H146 PolarHBondContact O-CD2 3.32Å; F142-H146 PolarHBondContact O-N 2.88Å; R143-H146 PolarHBondContact O-N 3.07Å; H146-M148 PolarHBondContact O-N 2.87Å; H146-M148 VanDerWaalsContact O-N 3.11Å; H146-G149 CarbonylContact O-C 3.51Å; H146-G149 WeakPolarHBondContact O-CA 3.43Å; H146-G149 PolarHBondContact O-N 3.38Å; H146-D150 PolarHBondContact O-N 3.42Å; H146-D150 VanDerWaalsContact O-OD1 3.06Å; H146-T218 HydrophobicContact CB-CG2 3.69Å
147L94.4Very high93Very high2 Ų243.7 Ų43.71%0.0121%0.21CC..Hα-helixtrans-50.9-42.5174.7178.666.2000113.3R143 D150 L151 F188 L196 I216 T218 P304 F306R143-L147 PolarHBondContact O-N 3.32Å; L147-D150 PolarHBondContact O-N 2.97Å; L147-L151 HydrophobicContact CD1-CD1 4.3Å; L147-L151 HydrophobicContact CG-CD1 4.18Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 WeakPolarHBondContact O-CG 3.43Å; L147-L151 PolarHBondContact O-N 2.97Å; L147-F188 HydrophobicContact CD2-CE1 4.44Å; L147-L196 HydrophobicContact CD2-CD2 4.4Å; L147-I216 HydrophobicContact CB-CG2 4.13Å; L147-I216 HydrophobicContact CD1-CG2 4.4Å; L147-I216 HydrophobicContact CD2-CD1 4.15Å; L147-I216 HydrophobicContact CD2-CG1 4.25Å; L147-I216 HydrophobicContact CD2-CG2 3.88Å; L147-I216 HydrophobicContact CG-CG2 4.36Å; L147-T218 HydrophobicContact CB-CG2 4.24Å; L147-P304 HydrophobicContact CD1-CB 3.67Å; L147-P304 HydrophobicContact CD1-CG 3.89Å; L147-F306 HydrophobicContact CD1-CD1 3.7Å; L147-F306 HydrophobicContact CD1-CE1 3.98Å
148M95Very high93.1Very high14 Ų1444.4 Ų44.47%0.06922%0.215CC..Hα-helixtrans-68.4-34176.5-173-17365.800112.6I134 I140 T144 R145 H146 R152 F188I134-M148 HydrophobicContact CG2-CG 3.84Å; I140-M148 HydrophobicContact CD1-CE 4.49Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 PolarHBondContact O-N 3.36Å; R145-M148 PolarHBondContact O-N 3.03Å; H146-M148 PolarHBondContact O-N 2.87Å; H146-M148 VanDerWaalsContact O-N 3.11Å; M148-R152 WeakPolarHBondContact O-CB 3.48Å; M148-R152 VanDerWaalsContact O-CD 3.3Å; M148-R152 WeakPolarHBondContact O-CD 3.44Å; M148-R152 WeakPolarHBondContact O-CG 3.33Å; M148-R152 PolarHBondContact O-N 3.02Å; M148-F188 HydrophobicContact CB-CE2 4.38Å; M148-F188 HydrophobicContact CG-CD2 4.24Å; M148-F188 HydrophobicContact CG-CE2 4.2Å
149G94.4Very high93.2Very high26 Ų2641.8 Ų41.827%0.26821%0.207SC..Hα-helixtrans-69.9-43.4172.600000112.3R145 H146 R152 T153R145-G149 PolarHBondContact O-N 3.2Å; H146-G149 CarbonylContact O-C 3.51Å; H146-G149 WeakPolarHBondContact O-CA 3.43Å; H146-G149 PolarHBondContact O-N 3.38Å; G149-R152 PolarHBondContact O-N 3.4Å; G149-T153 WeakPolarHBondContact O-CB 3.46Å; G149-T153 PolarHBondContact O-N 3.14Å; G149-T153 PolarHBondContact O-OG1 2.77Å
150D93.8Very high93.4Very high16 Ų1643.1 Ų43.19%0.08622%0.215CC..Hα-helixtrans-57.3-53.5176.5-58.4-8000109.3H146 L147 R152 T153 M154 T218 L219 P304H146-D150 PolarHBondContact O-N 3.42Å; H146-D150 VanDerWaalsContact O-OD1 3.06Å; L147-D150 PolarHBondContact O-N 2.97Å; D150-R152 VanDerWaalsContact C-N 3.33Å; D150-R152 PolarHBondContact O-N 2.81Å; D150-T153 WeakPolarHBondContact O-CB 3.41Å; D150-T153 PolarHBondContact O-N 3Å; D150-M154 WeakPolarHBondContact O-CG 3.23Å; D150-M154 PolarHBondContact O-N 3.46Å; D150-T218 WeakPolarHBondContact OD2-CA 3.36Å; D150-T218 WeakPolarHBondContact OD2-CB 3.39Å; D150-L219 HydrophobicContact CB-CD1 3.64Å; D150-L219 HydrophobicContact CB-CG 3.87Å; D150-L219 PolarHBondContact OD2-N 2.95Å; D150-P304 HydrophobicContact CB-CB 4.48Å; D150-P304 HydrophobicContact CB-CG 4.09Å
151L93.9Very high93.4Very high2 Ų244.6 Ų44.61%0.0122%0.223CC..Hα-helixtrans-58.8-38.5176.4-73.7167.3000113.5I134 L147 T153 M154 M155 F188 F259I134-L151 HydrophobicContact CD1-CB 4.37Å; L147-L151 HydrophobicContact CD1-CD1 4.3Å; L147-L151 HydrophobicContact CG-CD1 4.18Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 WeakPolarHBondContact O-CG 3.43Å; L147-L151 PolarHBondContact O-N 2.97Å; L151-T153 VanDerWaalsContact C-N 3.31Å; L151-M154 HydrophobicContact CD2-CE 3.8Å; L151-M154 HydrophobicContact CG-CE 4.38Å; L151-M155 HydrophobicContact CB-CE 4.31Å; L151-M155 HydrophobicContact CD2-CE 4.32Å; L151-M155 WeakPolarHBondContact O-CB 3.4Å; L151-M155 PolarHBondContact O-N 2.84Å; L151-M155 VanDerWaalsContact O-N 3.09Å; L151-F188 HydrophobicContact CD1-CE2 4.32Å; L151-F188 HydrophobicContact CD1-CZ 3.68Å; L151-F259 HydrophobicContact CD2-CE1 4.12Å
152R93.8Very high93.4Very high69 Ų6945.4 Ų45.426%0.2623%0.231SC..Hα-helixtrans-69.1-28.7175-74.4166.9177.3-169.3-3.9113I134 M148 G149 D150 S158I134-R152 HydrophobicContact CB-CG 4.14Å; I134-R152 HydrophobicContact CD1-CG 3.93Å; I134-R152 HydrophobicContact CG2-CG 4.24Å; I134-R152 PolarHBondContact O-NE 2.96Å; I134-R152 PolarHBondContact O-NH2 2.87Å; M148-R152 WeakPolarHBondContact O-CB 3.48Å; M148-R152 VanDerWaalsContact O-CD 3.3Å; M148-R152 WeakPolarHBondContact O-CD 3.44Å; M148-R152 WeakPolarHBondContact O-CG 3.33Å; M148-R152 PolarHBondContact O-N 3.02Å; G149-R152 PolarHBondContact O-N 3.4Å; D150-R152 VanDerWaalsContact C-N 3.33Å; D150-R152 PolarHBondContact O-N 2.81Å; R152-S158 WeakPolarHBondContact CA-OG 3.41Å; R152-S158 PolarHBondContact O-OG 3.17Å
153T91.4Very high93.5Very high65 Ų6544 Ų4440%0.39922%0.224SC..Hα-helixtrans-80.4-38-179.8-54.70000111.2G149 D150 L151 K230G149-T153 WeakPolarHBondContact O-CB 3.46Å; G149-T153 PolarHBondContact O-N 3.14Å; G149-T153 PolarHBondContact O-OG1 2.77Å; D150-T153 WeakPolarHBondContact O-CB 3.41Å; D150-T153 PolarHBondContact O-N 3Å; L151-T153 VanDerWaalsContact C-N 3.31Å; T153-K230 HydrophobicContact CG2-CD 3.97Å; T153-K230 HydrophobicContact CG2-CG 4.01Å
154M90.1Very high93.5Very high7 Ų739.2 Ų39.23%0.03421%0.208CC..Hα-helixtrans-75.1-33.4177.4-62.6-175.4-55.400113.4D150 L151 P156 Y276 P304D150-M154 WeakPolarHBondContact O-CG 3.23Å; D150-M154 PolarHBondContact O-N 3.46Å; L151-M154 HydrophobicContact CD2-CE 3.8Å; L151-M154 HydrophobicContact CG-CE 4.38Å; M154-P156 WeakPolarHBondContact O-CD 3.44Å; M154-Y276 WeakPolarHBondContact CB-OH 3.39Å; M154-Y276 HydrophobicContact SD-CE1 4.22Å; M154-P304 HydrophobicContact CE-CG 3.72Å; M154-P304 WeakPolarHBondContact SD-CD 3.49Å; M154-P304 HydrophobicContact SD-CG 4.45Å
155M91.8Very high93.3Very high0 Ų041.4 Ų41.40%022%0.219CC..  trans-101.199.4-177-64.1-169.8-59.400111.8I134 L151 H157 S158 L186 F259I134-M155 HydrophobicContact CD1-CE 3.53Å; L151-M155 HydrophobicContact CB-CE 4.31Å; L151-M155 HydrophobicContact CD2-CE 4.32Å; L151-M155 WeakPolarHBondContact O-CB 3.4Å; L151-M155 PolarHBondContact O-N 2.84Å; L151-M155 VanDerWaalsContact O-N 3.09Å; M155-H157 VanDerWaalsContact C-N 3.27Å; M155-H157 PolarHBondContact O-N 3.37Å; M155-S158 WeakPolarHBondContact O-CB 3.41Å; M155-S158 PolarHBondContact O-N 3.48Å; M155-S158 PolarHBondContact O-OG 3Å; M155-L186 HydrophobicContact CE-CD1 3.65Å; M155-F259 HydrophobicContact CE-CD1 4.46Å; M155-F259 HydrophobicContact SD-CD1 3.68Å; M155-F259 HydrophobicContact SD-CE1 4.32Å; M155-F259 HydrophobicContact SD-CG 4.45Å
156P92Very high92.9Very high16 Ų1642.1 Ų42.110%0.10422%0.222CC..THydrogen-bonded Turntrans-65.8-25.7-174.425.6-35.9000114.1M154 S158 T261 H265 K267M154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-S158 VanDerWaalsContact C-N 3.26Å; P156-T261 HydrophobicContact CG-CG2 3.88Å; P156-H265 PolarHBondContact O-CE1 2.61Å; P156-K267 HydrophobicContact CB-CB 3.92Å
157H92.7Very high92.4Very high3 Ų348.3 Ų48.31%0.01425%0.248CC..THydrogen-bonded Turntrans-84.15.2175.261.9-53.8000113.5V132 M155 T258 S260 P262V132-H157 PolarHBondContact N-O 2.6Å; V132-H157 VanDerWaalsContact N-O 3.14Å; M155-H157 VanDerWaalsContact C-N 3.27Å; M155-H157 PolarHBondContact O-N 3.37Å; H157-T258 PolarHBondContact NE2-O 2.89Å; H157-S260 PolarHBondContact CE1-O 3.2Å; H157-S260 PolarHBondContact NE2-O 2.87Å; H157-P262 HydrophobicContact CB-CG 4.1Å
158S94.5Very high92Very high22 Ų2251.4 Ų51.415%0.15426%0.264CS..EExtended strand (participates in β ladder)trans-76.2144.5175.572.90000112.7V132 I134 R152 M155 P156V132-S158 CarbonylContact O-C 3.58Å; V132-S158 VanDerWaalsContact O-CA 3.27Å; V132-S158 WeakPolarHBondContact O-CA 3.31Å; I134-S158 VanDerWaalsContact CD1-CB 3.43Å; R152-S158 WeakPolarHBondContact CA-OG 3.41Å; R152-S158 PolarHBondContact O-OG 3.17Å; M155-S158 WeakPolarHBondContact O-CB 3.41Å; M155-S158 PolarHBondContact O-N 3.48Å; M155-S158 PolarHBondContact O-OG 3Å; P156-S158 VanDerWaalsContact C-N 3.26Å
159K94.3Very high91.7Very high68 Ų6858.8 Ų58.830%0.29630%0.296SS..EExtended strand (participates in β ladder)trans-117.6131.3169.4-63.7-167-1701730109.9V132 L133 I134 K180V132-K159 PolarHBondContact O-N 3.45Å; L133-K159 HydrophobicContact CD1-CB 4.39Å; I134-K159 PolarHBondContact N-O 3.49Å; K159-K180 PolarHBondContact NZ-O 3.39Å
160A94.9Very high91.4Very high59 Ų5959.8 Ų59.849%0.48830%0.295SS..EExtended strand (participates in β ladder)trans-82.8141.9170.500000110.5
161D94.4Very high91Very high34 Ų3465.5 Ų65.518%0.18232%0.319CS..  trans-131.1175.8165.1-164.358000112.3L133 F135 K180L133-D161 HydrophobicContact CD1-CB 3.99Å; F135-D161 HydrophobicContact CB-CB 4.23Å; D161-K180 WeakPolarHBondContact OD1-CE 3.19Å; D161-K180 IonicContact OD1-NZ 3.42Å; D161-K180 PolarHBondContact OD1-NZ 2.92Å
162T93.1Very high90.9Very high101 Ų10167.7 Ų67.762%0.6233%0.332SS*.  trans-64.3172.617870.60000112.4
163K93.9Very high90.9Very high98 Ų9864.4 Ų64.443%0.42632%0.32SS..  trans-96.2105.3-176.2-66176.3-174.2154.60111.2S136 R138S136-K163 VanDerWaalsContact O-CA 3.24Å; S136-K163 WeakPolarHBondContact O-CA 3.2Å; R138-K163 HydrophobicContact CG-CB 3.97Å; R138-K163 PolarHBondContact NE-O 2.99Å; R138-K163 VanDerWaalsContact NE-O 3.14Å
164M92.6Very high91Very high22 Ų2262 Ų6211%0.10831%0.305CS..  trans-54141.3174.2-167.8-178.890.700111.5F135 S136 S137 R138 D168 L170 V173 F187F135-M164 HydrophobicContact CD2-CB 4.33Å; F135-M164 HydrophobicContact CE2-CB 3.88Å; F135-M164 HydrophobicContact CE2-SD 4.19Å; S136-M164 PolarHBondContact O-N 3.1Å; S137-M164 WeakPolarHBondContact CA-O 3.46Å; R138-M164 PolarHBondContact N-O 3.19Å; M164-D168 HydrophobicContact CE-CB 4.36Å; M164-D168 HydrophobicContact CG-CB 3.86Å; M164-D168 WeakPolarHBondContact CG-OD2 3.5Å; M164-D168 HydrophobicContact SD-CB 4.25Å; M164-L170 HydrophobicContact CE-CD2 4.21Å; M164-V173 HydrophobicContact CE-CG2 4.42Å; M164-V173 HydrophobicContact SD-CG2 3.74Å; M164-F187 HydrophobicContact CE-CE1 4.24Å; M164-F187 HydrophobicContact CE-CE2 4Å; M164-F187 HydrophobicContact CE-CZ 3.51Å
165D90.4Very high91.1Very high54 Ų5465.9 Ų65.929%0.28932%0.323SS..  trans-72.7163.7179.4-106.1-48.4000111.7R138 K167 D168R138-D165 VanDerWaalsContact CD-OD1 3.29Å; R138-D165 WeakPolarHBondContact CD-OD1 3.45Å; R138-D165 IonicContact CZ-OD1 3.91Å; R138-D165 IonicContact CZ-OD2 3.84Å; R138-D165 IonicContact NE-OD1 3.25Å; R138-D165 PolarHBondContact NE-OD1 2.78Å; R138-D165 IonicContact NE-OD2 3.74Å; R138-D165 IonicContact NH1-OD1 2.69Å; R138-D165 PolarHBondContact NH1-OD1 3.23Å; R138-D165 IonicContact NH1-OD2 3.53Å; R138-D165 PolarHBondContact NH1-OD2 3.02Å; R138-D165 IonicContact NH2-OD1 3.75Å; R138-D165 IonicContact NH2-OD2 2.74Å; R138-D165 PolarHBondContact NH2-OD2 2.9Å; D165-K167 VanDerWaalsContact C-N 3.28Å; D165-D168 WeakPolarHBondContact CA-OD2 3.39Å; D165-D168 WeakPolarHBondContact CB-OD1 3.4Å; D165-D168 VanDerWaalsContact CB-OD2 3.27Å; D165-D168 WeakPolarHBondContact CB-OD2 3.44Å; D165-D168 PolarHBondContact N-OD2 2.91Å
166R84.3Confident91.1Very high136 Ų13667.4 Ų67.451%0.51333%0.332SS..SBendtrans-80-11.1179.7-69.5-178.8173.7-170.9-6.9114R138 A190R138-R166 VanDerWaalsContact O-CZ 3.29Å; R138-R166 PolarHBondContact O-NE 3.32Å; R138-R166 PolarHBondContact O-NH2 3.36Å; R166-A190 PolarHBondContact NH2-O 3.4Å
167K84.1Confident91.2Very high200 Ų20066.7 Ų66.787%0.8733%0.328SS*.SBendtrans-91.2-21.1179.9-63.3-176.5178.4-176.90111.8D165D165-K167 VanDerWaalsContact C-N 3.28Å
168D86.3Confident91.3Very high67 Ų6774.1 Ų74.136%0.35836%0.362SS..SBendtrans-70.3141.9-172.3-48.5-13.7000110.1M164 D165M164-D168 HydrophobicContact CE-CB 4.36Å; M164-D168 HydrophobicContact CG-CB 3.86Å; M164-D168 WeakPolarHBondContact CG-OD2 3.5Å; M164-D168 HydrophobicContact SD-CB 4.25Å; D165-D168 WeakPolarHBondContact CA-OD2 3.39Å; D165-D168 WeakPolarHBondContact CB-OD1 3.4Å; D165-D168 VanDerWaalsContact CB-OD2 3.27Å; D165-D168 WeakPolarHBondContact CB-OD2 3.44Å; D165-D168 PolarHBondContact N-OD2 2.91Å
169K88.2Confident91.3Very high170 Ų17079.8 Ų79.874%0.73939%0.389SS*.  trans-73.4145.6175.8-63.6178-177175.20109.1F171 V172K169-F171 PolarHBondContact O-N 3.3Å; K169-V172 WeakPolarHBondContact O-CB 3.2Å; K169-V172 WeakPolarHBondContact O-CG2 3.47Å; K169-V172 PolarHBondContact O-N 3.19Å; K169-V172 VanDerWaalsContact O-N 3.13Å
170L88.1Confident91.2Very high47 Ų4780.2 Ų80.225%0.24639%0.391CS..THydrogen-bonded Turntrans-63.7-14.9179.8-56.1175.8000113.6M164 V172 V173 F187 W199 F318M164-L170 HydrophobicContact CE-CD2 4.21Å; L170-V172 VanDerWaalsContact C-N 3.29Å; L170-V172 PolarHBondContact O-N 3.16Å; L170-V173 VanDerWaalsContact O-CB 3.28Å; L170-V173 WeakPolarHBondContact O-CB 3.35Å; L170-V173 VanDerWaalsContact O-CG2 3.26Å; L170-V173 WeakPolarHBondContact O-CG2 3.34Å; L170-V173 PolarHBondContact O-N 2.92Å; L170-F187 HydrophobicContact CD2-CD1 4.48Å; L170-F187 HydrophobicContact CD2-CE1 3.78Å; L170-F187 HydrophobicContact CD2-CZ 4.49Å; L170-W199 HydrophobicContact CD1-CH2 3.92Å; L170-W199 HydrophobicContact CD1-CZ2 3.49Å; L170-W199 VanDerWaalsContact CD1-CZ2 3.49Å; L170-F318 HydrophobicContact CB-CB 3.88Å; L170-F318 HydrophobicContact CB-CD1 4.29Å; L170-F318 HydrophobicContact CB-CG 4.42Å
171F87.3Confident91.1Very high135 Ų13582 Ų8259%0.59239%0.392SS*.THydrogen-bonded Turntrans-64-32.4174.3-168.4-96.2000113.1K169 V173 N174K169-F171 PolarHBondContact O-N 3.3Å; F171-V173 PolarHBondContact O-N 2.85Å; F171-N174 WeakPolarHBondContact O-CB 3.33Å; F171-N174 PolarHBondContact O-N 3.46Å
172V91.6Very high91Very high48 Ų4880.7 Ų80.729%0.29139%0.386SS..Hα-helixtrans-57.6-24.4176.7-1790000111.5K169 L170 N174 E175 V176K169-V172 WeakPolarHBondContact O-CB 3.2Å; K169-V172 WeakPolarHBondContact O-CG2 3.47Å; K169-V172 PolarHBondContact O-N 3.19Å; K169-V172 VanDerWaalsContact O-N 3.13Å; L170-V172 VanDerWaalsContact C-N 3.29Å; L170-V172 PolarHBondContact O-N 3.16Å; V172-N174 VanDerWaalsContact C-N 3.27Å; V172-N174 PolarHBondContact O-N 2.9Å; V172-E175 PolarHBondContact O-N 3.06Å; V172-V176 HydrophobicContact CG1-CG2 4.38Å; V172-V176 WeakPolarHBondContact O-CG2 2.99Å; V172-V176 PolarHBondContact O-N 3.45Å
173V92.6Very high91.1Very high0 Ų078.7 Ų78.70%037%0.372CS..Hα-helixtrans-63.1-33.8175.8-176.30000112.1F135 M164 L170 F171 V176 C177 C185 F318F135-V173 HydrophobicContact CE1-CG1 3.68Å; F135-V173 HydrophobicContact CE2-CG2 4.44Å; F135-V173 HydrophobicContact CZ-CB 4.14Å; F135-V173 HydrophobicContact CZ-CG1 3.52Å; F135-V173 HydrophobicContact CZ-CG2 3.7Å; M164-V173 HydrophobicContact CE-CG2 4.42Å; M164-V173 HydrophobicContact SD-CG2 3.74Å; L170-V173 VanDerWaalsContact O-CB 3.28Å; L170-V173 WeakPolarHBondContact O-CB 3.35Å; L170-V173 VanDerWaalsContact O-CG2 3.26Å; L170-V173 WeakPolarHBondContact O-CG2 3.34Å; L170-V173 PolarHBondContact O-N 2.92Å; F171-V173 PolarHBondContact O-N 2.85Å; V173-V176 PolarHBondContact O-N 3.44Å; V173-C177 PolarHBondContact O-N 2.82Å; V173-C177 PolarHBondContact O-SG 3.27Å; V173-C185 VanDerWaalsContact CG1-SG 3.57Å; V173-F318 HydrophobicContact CB-CD2 3.99Å; V173-F318 HydrophobicContact CB-CE2 4Å; V173-F318 HydrophobicContact CB-CG 4.39Å; V173-F318 HydrophobicContact CB-CZ 4.38Å; V173-F318 HydrophobicContact CG1-CD2 3.89Å; V173-F318 HydrophobicContact CG1-CE1 4.35Å; V173-F318 HydrophobicContact CG1-CE2 3.38Å; V173-F318 HydrophobicContact CG1-CZ 3.66Å
174N93.1Very high91.1Very high16 Ų1674.8 Ų74.89%0.08636%0.355CS..Hα-helixtrans-68-45.5178-63.5-33000110.6F171 V172 V176 C177 E178 S317F171-N174 WeakPolarHBondContact O-CB 3.33Å; F171-N174 PolarHBondContact O-N 3.46Å; V172-N174 VanDerWaalsContact C-N 3.27Å; V172-N174 PolarHBondContact O-N 2.9Å; N174-V176 PolarHBondContact O-N 3.5Å; N174-C177 WeakPolarHBondContact O-CB 3.26Å; N174-C177 PolarHBondContact O-N 3.43Å; N174-C177 VanDerWaalsContact O-N 3.1Å; N174-E178 PolarHBondContact O-N 2.94Å; N174-S317 PolarHBondContact ND2-O 2.82Å; N174-S317 VanDerWaalsContact OD1-CB 3.27Å; N174-S317 WeakPolarHBondContact OD1-CB 2.99Å; N174-S317 PolarHBondContact OD1-OG 3.26Å
175E92.4Very high91.3Very high88 Ų8873.7 Ų73.741%0.41135%0.349SS..Hα-helixtrans-57.9-44.9174.9-60.2162.1-156.800111.4V172 C177 E178 I179V172-E175 PolarHBondContact O-N 3.06Å; E175-C177 VanDerWaalsContact C-N 3.33Å; E175-C177 PolarHBondContact O-N 3.19Å; E175-E178 PolarHBondContact O-N 3.13Å; E175-I179 VanDerWaalsContact O-CG1 3.3Å; E175-I179 WeakPolarHBondContact O-CG1 3.27Å; E175-I179 PolarHBondContact O-N 3.48Å
176V93.4Very high91.5Very high31 Ų3171.1 Ų71.119%0.18834%0.336CS..Hα-helixtrans-64.5-37176.1177.20000111.6L133 V172 V173 N174 K180L133-V176 HydrophobicContact CD2-CB 4.49Å; L133-V176 HydrophobicContact CD2-CG1 3.8Å; V172-V176 HydrophobicContact CG1-CG2 4.38Å; V172-V176 WeakPolarHBondContact O-CG2 2.99Å; V172-V176 PolarHBondContact O-N 3.45Å; V173-V176 PolarHBondContact O-N 3.44Å; N174-V176 PolarHBondContact O-N 3.5Å; V176-K180 HydrophobicContact CG1-CG 4.42Å; V176-K180 WeakPolarHBondContact O-CB 3.21Å; V176-K180 VanDerWaalsContact O-CG 3.26Å; V176-K180 WeakPolarHBondContact O-CG 3.39Å; V176-K180 PolarHBondContact O-N 3.14Å
177C94.1Very high92.1Very high2 Ų264.8 Ų64.81%0.01431%0.312CS..Hα-helixtrans-65.4-38.8174.9-68.80000112.1L133 V173 N174 E175 K180 N181 C182 C203L133-C177 VanDerWaalsContact CD2-SG 3.5Å; V173-C177 PolarHBondContact O-N 2.82Å; V173-C177 PolarHBondContact O-SG 3.27Å; N174-C177 WeakPolarHBondContact O-CB 3.26Å; N174-C177 PolarHBondContact O-N 3.43Å; N174-C177 VanDerWaalsContact O-N 3.1Å; E175-C177 VanDerWaalsContact C-N 3.33Å; E175-C177 PolarHBondContact O-N 3.19Å; C177-K180 CarbonylContact O-C 3.58Å; C177-N181 WeakPolarHBondContact O-CA 3.45Å; C177-N181 PolarHBondContact O-N 3.23Å; C177-C182 HydrophobicContact CB-CB 4.41Å; C177-C182 PolarHBondContact O-N 3.27Å; C177-C203 HydrophobicContact CB-CB 3.86Å
178E93.1Very high92.7Very high158 Ų15855.2 Ų55.274%0.73827%0.27SS*.Hα-helixtrans-66.1-51.1176.7-171.8172.3-176.500111.6N174 E175 K180 N181N174-E178 PolarHBondContact O-N 2.94Å; E175-E178 PolarHBondContact O-N 3.13Å; E178-K180 PolarHBondContact O-N 3.09Å; E178-N181 WeakPolarHBondContact O-CA 3.42Å; E178-N181 PolarHBondContact O-N 3.04Å
179I94.3Very high93Very high141 Ų14153.4 Ų53.472%0.72326%0.26SS*.Hα-helixtrans-57-37.8176.2-66.4163.6000111.6E175 N181E175-I179 VanDerWaalsContact O-CG1 3.3Å; E175-I179 WeakPolarHBondContact O-CG1 3.27Å; E175-I179 PolarHBondContact O-N 3.48Å; I179-N181 VanDerWaalsContact C-N 3.33Å
180K92.3Very high93.3Very high78 Ų7845.7 Ų45.734%0.33923%0.228SC..THydrogen-bonded Turntrans-84.5-5.3176.6-62.3-60.5-174.8178.20113.5L133 K159 D161 V176 C177 E178L133-K180 HydrophobicContact CD1-CB 4.2Å; L133-K180 HydrophobicContact CD1-CG 4.03Å; K159-K180 PolarHBondContact NZ-O 3.39Å; D161-K180 WeakPolarHBondContact OD1-CE 3.19Å; D161-K180 IonicContact OD1-NZ 3.42Å; D161-K180 PolarHBondContact OD1-NZ 2.92Å; V176-K180 HydrophobicContact CG1-CG 4.42Å; V176-K180 WeakPolarHBondContact O-CB 3.21Å; V176-K180 VanDerWaalsContact O-CG 3.26Å; V176-K180 WeakPolarHBondContact O-CG 3.39Å; V176-K180 PolarHBondContact O-N 3.14Å; C177-K180 CarbonylContact O-C 3.58Å; E178-K180 PolarHBondContact O-N 3.09Å
181N93.4Very high93.4Very high95 Ų9547.8 Ų47.851%0.50824%0.235SC..THydrogen-bonded Turntrans46.968.3-171.8-175.9-12.5000110.6R131 C177 E178 I179R131-N181 WeakPolarHBondContact CD-O 3.34Å; R131-N181 PolarHBondContact NH1-ND2 3.05Å; R131-N181 PolarHBondContact NH1-O 2.88Å; R131-N181 VanDerWaalsContact NH1-O 3.14Å; R131-N181 PolarHBondContact NH1-OD1 3.25Å; C177-N181 WeakPolarHBondContact O-CA 3.45Å; C177-N181 PolarHBondContact O-N 3.23Å; E178-N181 WeakPolarHBondContact O-CA 3.42Å; E178-N181 PolarHBondContact O-N 3.04Å; I179-N181 VanDerWaalsContact C-N 3.33Å
182C93.4Very high93.5Very high7 Ų747.8 Ų47.85%0.04723%0.234CC..  trans-126.1120-179-79.70000110.8L133 C177 K184L133-C182 HydrophobicContact CB-CB 3.99Å; C177-C182 HydrophobicContact CB-CB 4.41Å; C177-C182 PolarHBondContact O-N 3.27Å; C182-K184 VanDerWaalsContact C-N 3.33Å
183N93.4Very high93.3Very high60 Ų6052.5 Ų52.532%0.32125%0.251SS..SBendtrans-78.6-21.8-178.2-47.1-7.8000112.1K129 R131 C203K129-N183 PolarHBondContact O-ND2 2.82Å; R131-N183 PolarHBondContact O-N 3.44Å; N183-C203 PolarHBondContact O-N 3.04Å
184K95Very high93.1Very high15 Ų1558.9 Ų58.97%0.06528%0.281CS..EExtended strand (participates in β ladder)trans-128.4150.5-172.8-55.6-59.7-168-136.60110.5R131 V132 L133 C182 S201 N202 Q257R131-K184 PolarHBondContact O-N 2.73Å; R131-K184 VanDerWaalsContact O-N 3.14Å; V132-K184 WeakPolarHBondContact CA-O 3.3Å; V132-K184 HydrophobicContact CB-CB 4.32Å; V132-K184 HydrophobicContact CG1-CB 4.39Å; V132-K184 HydrophobicContact CG2-CB 3.88Å; V132-K184 HydrophobicContact CG2-CG 4.36Å; L133-K184 PolarHBondContact N-O 2.77Å; C182-K184 VanDerWaalsContact C-N 3.33Å; K184-S201 CarbonylContact C-O 3.37Å; K184-S201 WeakPolarHBondContact CA-O 3.42Å; K184-N202 WeakPolarHBondContact CD-OD1 3.25Å; K184-N202 WeakPolarHBondContact CE-OD1 3.4Å; K184-N202 PolarHBondContact NZ-ND2 3.33Å; K184-N202 PolarHBondContact NZ-OD1 3.13Å; K184-Q257 VanDerWaalsContact CE-O 3.26Å; K184-Q257 WeakPolarHBondContact CE-O 3.29Å
185C95.6Very high93.1Very high0 Ų058.6 Ų58.60%028%0.279CS..EExtended strand (participates in β ladder)trans-137.7130.2179.4-179.60000113V173 I200 S201 F318V173-C185 VanDerWaalsContact CG1-SG 3.57Å; C185-I200 WeakPolarHBondContact O-CA 3.43Å; C185-S201 PolarHBondContact N-O 3.06Å; C185-S201 PolarHBondContact O-N 3.09Å; C185-F318 HydrophobicContact CB-CE2 4.04Å; C185-F318 HydrophobicContact CB-CZ 4.2Å; C185-F318 VanDerWaalsContact SG-CZ 3.59Å
186L96.5Very high93.2Very high0 Ų054.8 Ų54.80%026%0.262CS..EExtended strand (participates in β ladder)trans-111.8104.9166.5-70178.3000109.4V132 L133 I134 F135 M155 M198 W199 I200 T258V132-L186 HydrophobicContact CG1-CB 4.37Å; V132-L186 HydrophobicContact CG1-CD1 3.86Å; V132-L186 HydrophobicContact CG1-CG 3.81Å; L133-L186 PolarHBondContact O-N 3.45Å; I134-L186 WeakPolarHBondContact CA-O 3.46Å; I134-L186 HydrophobicContact CD1-CD1 4.28Å; I134-L186 HydrophobicContact CG1-CB 4.27Å; I134-L186 HydrophobicContact CG1-CD1 4.21Å; I134-L186 HydrophobicContact CG2-CB 4.47Å; F135-L186 PolarHBondContact N-O 2.96Å; M155-L186 HydrophobicContact CE-CD1 3.65Å; L186-M198 HydrophobicContact CD2-SD 4.37Å; L186-W199 WeakPolarHBondContact CA-O 3.37Å; L186-I200 HydrophobicContact CD2-CB 4.09Å; L186-I200 HydrophobicContact CD2-CD1 3.71Å; L186-I200 HydrophobicContact CD2-CG1 3.54Å; L186-I200 HydrophobicContact CD2-CG2 3.9Å; L186-T258 HydrophobicContact CD1-CG2 3.98Å; L186-T258 HydrophobicContact CD2-CG2 3.86Å; L186-T258 HydrophobicContact CG-CG2 3.89Å
187F96Very high93.4Very high2 Ų254 Ų541%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-112.6123.1-178.4171.4-116.7000112.4F135 M164 L170 E189 M198 W199 F318F135-F187 HydrophobicContact CD1-CD2 4.36Å; F135-F187 AromaticContact CD2-CD2 3.86Å; F135-F187 HydrophobicContact CD2-CD2 3.86Å; F135-F187 HydrophobicContact CD2-CE2 4.15Å; F135-F187 HydrophobicContact CE1-CB 3.97Å; F135-F187 AromaticContact CE1-CD2 3.88Å; F135-F187 HydrophobicContact CE1-CD2 3.88Å; F135-F187 HydrophobicContact CE1-CG 4.29Å; F135-F187 AromaticContact CE2-CD2 3.29Å; F135-F187 HydrophobicContact CE2-CD2 3.29Å; F135-F187 AromaticContact CE2-CE2 3.53Å; F135-F187 HydrophobicContact CE2-CE2 3.53Å; F135-F187 HydrophobicContact CE2-CG 4.31Å; F135-F187 HydrophobicContact CG-CD2 4.34Å; F135-F187 HydrophobicContact CZ-CB 4.06Å; F135-F187 AromaticContact CZ-CD2 3.28Å; F135-F187 HydrophobicContact CZ-CD2 3.28Å; F135-F187 AromaticContact CZ-CE2 3.93Å; F135-F187 HydrophobicContact CZ-CE2 3.93Å; F135-F187 AromaticContact CZ-CG 3.88Å; F135-F187 HydrophobicContact CZ-CG 3.88Å; M164-F187 HydrophobicContact CE-CE1 4.24Å; M164-F187 HydrophobicContact CE-CE2 4Å; M164-F187 HydrophobicContact CE-CZ 3.51Å; L170-F187 HydrophobicContact CD2-CD1 4.48Å; L170-F187 HydrophobicContact CD2-CE1 3.78Å; L170-F187 HydrophobicContact CD2-CZ 4.49Å; F187-E189 HydrophobicContact CD1-CB 4.42Å; F187-E189 HydrophobicContact CE1-CB 3.85Å; F187-E189 HydrophobicContact CE1-CG 4.49Å; F187-E189 HydrophobicContact CZ-CB 4.36Å; F187-M198 WeakPolarHBondContact O-CA 3.28Å; F187-W199 HydrophobicContact CB-CB 4.26Å; F187-W199 HydrophobicContact CD1-CB 4.42Å; F187-W199 AromaticContact CD1-CD1 3.65Å; F187-W199 HydrophobicContact CD1-CG 4.21Å; F187-W199 PolarHBondContact N-O 2.84Å; F187-W199 PolarHBondContact O-N 3.43Å; F187-F318 HydrophobicContact CB-CE1 3.94Å; F187-F318 HydrophobicContact CB-CZ 3.96Å; F187-F318 HydrophobicContact CD1-CE1 4.01Å; F187-F318 HydrophobicContact CG-CE1 4.35Å
188F96.1Very high93.5Very high0 Ų054 Ų540%026%0.255CS..EExtended strand (participates in β ladder)trans-94.7105.4178.9-68.9-74.5000112.7I134 F135 S136 S137 L147 M148 L151 L196 M198I134-F188 HydrophobicContact CG2-CD2 4.5Å; I134-F188 HydrophobicContact CG2-CE2 3.95Å; F135-F188 PolarHBondContact O-N 3Å; S136-F188 WeakPolarHBondContact CA-O 3.39Å; S137-F188 PolarHBondContact N-O 2.69Å; S137-F188 PolarHBondContact OG-O 3.08Å; L147-F188 HydrophobicContact CD2-CE1 4.44Å; M148-F188 HydrophobicContact CB-CE2 4.38Å; M148-F188 HydrophobicContact CG-CD2 4.24Å; M148-F188 HydrophobicContact CG-CE2 4.2Å; L151-F188 HydrophobicContact CD1-CE2 4.32Å; L151-F188 HydrophobicContact CD1-CZ 3.68Å; F188-L196 HydrophobicContact CB-CD1 4.12Å; F188-L196 HydrophobicContact CD1-CD1 3.98Å; F188-L196 HydrophobicContact CD1-CD2 4.02Å; F188-L196 HydrophobicContact CD1-CG 4.27Å; F188-L196 HydrophobicContact CE1-CD2 4.37Å; F188-M198 HydrophobicContact CD1-CB 4.2Å; F188-M198 HydrophobicContact CD1-CG 4.11Å; F188-M198 HydrophobicContact CD1-SD 4.41Å; F188-M198 HydrophobicContact CE1-CB 4.13Å; F188-M198 HydrophobicContact CE1-CG 3.78Å; F188-M198 HydrophobicContact CE1-SD 3.51Å; F188-M198 VanDerWaalsContact CE1-SD 3.51Å; F188-M198 HydrophobicContact CZ-CG 4.3Å; F188-M198 HydrophobicContact CZ-SD 3.73Å
189E93.9Very high93.6Very high29 Ų2947 Ų4714%0.13622%0.222CC..EExtended strand (participates in β ladder)trans-95107.8177.8-178.4-171.7-17400110.5S137 F187 K191 Y197 W199 K210S137-E189 WeakPolarHBondContact OG-CA 3.46Å; F187-E189 HydrophobicContact CD1-CB 4.42Å; F187-E189 HydrophobicContact CE1-CB 3.85Å; F187-E189 HydrophobicContact CE1-CG 4.49Å; F187-E189 HydrophobicContact CZ-CB 4.36Å; E189-K191 VanDerWaalsContact CD-CE 3.42Å; E189-K191 WeakPolarHBondContact OE1-CE 3.47Å; E189-K191 IonicContact OE1-NZ 2.77Å; E189-K191 PolarHBondContact OE1-NZ 2.89Å; E189-Y197 PolarHBondContact N-O 3.12Å; E189-Y197 PolarHBondContact O-N 2.85Å; E189-W199 PolarHBondContact OE2-NE1 2.91Å; E189-K210 IonicContact OE1-NZ 3.46Å; E189-K210 WeakPolarHBondContact OE2-CE 3.28Å; E189-K210 IonicContact OE2-NZ 3.97Å; E189-K210 PolarHBondContact OE2-NZ 2.66Å
190A93.4Very high93.7Very high8 Ų840.3 Ų40.37%0.06619%0.188CC..EExtended strand (participates in β ladder)trans-101.6109.2-177.100000112.4S137 I140 R166 D195S137-A190 PolarHBondContact OG-N 3.4Å; I140-A190 HydrophobicContact CB-CB 4.38Å; I140-A190 HydrophobicContact CG2-CB 3.76Å; R166-A190 PolarHBondContact NH2-O 3.4Å; A190-D195 WeakPolarHBondContact CA-O 3.42Å
191K91.1Very high93.8Very high90 Ų9036.6 Ų36.639%0.39117%0.172SC..EExtended strand (participates in β ladder)trans-96.4140.9176.3-58.8-160.1-177.5-164.60111.6E189 K193 Q194 D195 Y197E189-K191 VanDerWaalsContact CD-CE 3.42Å; E189-K191 WeakPolarHBondContact OE1-CE 3.47Å; E189-K191 IonicContact OE1-NZ 2.77Å; E189-K191 PolarHBondContact OE1-NZ 2.89Å; K191-K193 PolarHBondContact O-N 3.26Å; K191-Q194 PolarHBondContact O-N 2.85Å; K191-D195 HydrophobicContact CB-CB 4.43Å; K191-D195 PolarHBondContact N-O 3Å; K191-D195 PolarHBondContact O-N 3.48Å; K191-Y197 HydrophobicContact CB-CE2 4.12Å; K191-Y197 HydrophobicContact CD-CD2 4.38Å; K191-Y197 HydrophobicContact CD-CE2 4.02Å; K191-Y197 HydrophobicContact CG-CD2 4.07Å; K191-Y197 HydrophobicContact CG-CE2 3.93Å
192K89.3Confident93.9Very high136 Ų13633.4 Ų33.459%0.59116%0.155SC*.THydrogen-bonded Turntrans52.718.6176.9-59.5-178.1177.9179.20115.4Q194 N333K192-Q194 PolarHBondContact O-N 3.17Å; K192-N333 WeakPolarHBondContact CE-OD1 3.3Å; K192-N333 PolarHBondContact NZ-OD1 3.03Å
193K87.2Confident93.8Very high146 Ų14633.9 Ų33.964%0.63516%0.158SC*.THydrogen-bonded Turntrans58.415.6-172.1-52.8179.8-179.4178.30114.2K191K191-K193 PolarHBondContact O-N 3.26Å
194Q88.1Confident93.5Very high134 Ų13435 Ų3563%0.62617%0.168SC*.THydrogen-bonded Turntrans-129-45.6-174.7-71.5-178.7-19.100112K191 K192K191-Q194 PolarHBondContact O-N 2.85Å; K192-Q194 PolarHBondContact O-N 3.17Å
195D93.2Very high93.2Very high10 Ų1042.1 Ų42.15%0.05320%0.201CC..EExtended strand (participates in β ladder)trans-93.4124.9-174.4-53.8-52000109.6A190 K191 Y197 P332 R336A190-D195 WeakPolarHBondContact CA-O 3.42Å; K191-D195 HydrophobicContact CB-CB 4.43Å; K191-D195 PolarHBondContact N-O 3Å; K191-D195 PolarHBondContact O-N 3.48Å; D195-Y197 HydrophobicContact CB-CE2 3.83Å; D195-P332 WeakPolarHBondContact OD1-CB 3.18Å; D195-R336 VanDerWaalsContact CG-NH1 3.33Å; D195-R336 IonicContact OD1-CZ 2.82Å; D195-R336 VanDerWaalsContact OD1-CZ 3.3Å; D195-R336 IonicContact OD1-NH1 2.66Å; D195-R336 PolarHBondContact OD1-NH1 2.95Å; D195-R336 VanDerWaalsContact OD1-NH1 3.1Å; D195-R336 IonicContact OD1-NH2 3.92Å; D195-R336 PolarHBondContact OD1-NH2 3.42Å; D195-R336 IonicContact OD2-CZ 2.84Å; D195-R336 IonicContact OD2-NH1 2.73Å; D195-R336 PolarHBondContact OD2-NH1 3.31Å; D195-R336 IonicContact OD2-NH2 3.04Å
196L95.1Very high92.8Very high8 Ų842.7 Ų42.74%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-104.9121.7176-175.262.2000110.3T144 L147 F188 V213 I216T144-L196 HydrophobicContact CG2-CD1 3.67Å; T144-L196 HydrophobicContact CG2-CD2 3.63Å; T144-L196 HydrophobicContact CG2-CG 4.29Å; L147-L196 HydrophobicContact CD2-CD2 4.4Å; F188-L196 HydrophobicContact CB-CD1 4.12Å; F188-L196 HydrophobicContact CD1-CD1 3.98Å; F188-L196 HydrophobicContact CD1-CD2 4.02Å; F188-L196 HydrophobicContact CD1-CG 4.27Å; F188-L196 HydrophobicContact CE1-CD2 4.37Å; L196-V213 HydrophobicContact CB-CB 4.3Å; L196-V213 HydrophobicContact CD2-CB 3.99Å; L196-V213 HydrophobicContact CD2-CG1 4.29Å; L196-V213 HydrophobicContact CD2-CG2 4.15Å; L196-V213 HydrophobicContact CG-CB 4.14Å; L196-V213 HydrophobicContact CG-CG2 4.15Å; L196-V213 PolarHBondContact O-N 2.74Å; L196-I216 HydrophobicContact CD2-CD1 3.59Å
197Y95.9Very high92.7Very high15 Ų1544.1 Ų44.16%0.05922%0.217CC..EExtended strand (participates in β ladder)trans-106.4142.5166.3-57.2-91.2000108.3E189 K191 D195 F211 L212 I311E189-Y197 PolarHBondContact N-O 3.12Å; E189-Y197 PolarHBondContact O-N 2.85Å; K191-Y197 HydrophobicContact CB-CE2 4.12Å; K191-Y197 HydrophobicContact CD-CD2 4.38Å; K191-Y197 HydrophobicContact CD-CE2 4.02Å; K191-Y197 HydrophobicContact CG-CD2 4.07Å; K191-Y197 HydrophobicContact CG-CE2 3.93Å; D195-Y197 HydrophobicContact CB-CE2 3.83Å; Y197-F211 CarbonylContact C-O 3.52Å; Y197-F211 WeakPolarHBondContact CA-O 3.41Å; Y197-L212 HydrophobicContact CD1-CB 4.38Å; Y197-L212 HydrophobicContact CD1-CD1 4.05Å; Y197-L212 HydrophobicContact CE1-CB 4.34Å; Y197-L212 HydrophobicContact CE1-CD1 3.64Å; Y197-L212 HydrophobicContact CE2-CD1 4.46Å; Y197-I311 HydrophobicContact CD1-CD1 3.47Å; Y197-I311 VanDerWaalsContact CD1-CD1 3.47Å; Y197-I311 HydrophobicContact CE1-CD1 3.58Å
198M96.1Very high92.6Very high3 Ų344 Ų442%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-121.2132.8173.6-174.9175.567.200108.4L186 F187 F188 I200 F211 V213 L308L186-M198 HydrophobicContact CD2-SD 4.37Å; F187-M198 WeakPolarHBondContact O-CA 3.28Å; F188-M198 HydrophobicContact CD1-CB 4.2Å; F188-M198 HydrophobicContact CD1-CG 4.11Å; F188-M198 HydrophobicContact CD1-SD 4.41Å; F188-M198 HydrophobicContact CE1-CB 4.13Å; F188-M198 HydrophobicContact CE1-CG 3.78Å; F188-M198 HydrophobicContact CE1-SD 3.51Å; F188-M198 VanDerWaalsContact CE1-SD 3.51Å; F188-M198 HydrophobicContact CZ-CG 4.3Å; F188-M198 HydrophobicContact CZ-SD 3.73Å; M198-I200 HydrophobicContact CE-CD1 3.79Å; M198-I200 HydrophobicContact CE-CG1 4.08Å; M198-I200 HydrophobicContact CG-CG1 4.48Å; M198-F211 PolarHBondContact N-O 3.1Å; M198-F211 PolarHBondContact O-N 2.77Å; M198-V213 HydrophobicContact CB-CG2 3.55Å; M198-L308 HydrophobicContact CE-CD1 3.79Å; M198-L308 HydrophobicContact CE-CD2 3.51Å; M198-L308 HydrophobicContact CE-CG 4.31Å
199W96.1Very high92.6Very high11 Ų1144 Ų444%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-106.6133.3171.6-66.783.9000108.6L170 L186 F187 E189 A209 K210 F314 F318L170-W199 HydrophobicContact CD1-CH2 3.92Å; L170-W199 HydrophobicContact CD1-CZ2 3.49Å; L170-W199 VanDerWaalsContact CD1-CZ2 3.49Å; L186-W199 WeakPolarHBondContact CA-O 3.37Å; F187-W199 HydrophobicContact CB-CB 4.26Å; F187-W199 HydrophobicContact CD1-CB 4.42Å; F187-W199 AromaticContact CD1-CD1 3.65Å; F187-W199 HydrophobicContact CD1-CG 4.21Å; F187-W199 PolarHBondContact N-O 2.84Å; F187-W199 PolarHBondContact O-N 3.43Å; E189-W199 PolarHBondContact OE2-NE1 2.91Å; W199-A209 WeakPolarHBondContact CA-O 3.38Å; W199-K210 HydrophobicContact CD2-CB 4.14Å; W199-K210 HydrophobicContact CD2-CD 4.37Å; W199-K210 HydrophobicContact CD2-CG 3.97Å; W199-K210 HydrophobicContact CE3-CB 3.95Å; W199-K210 HydrophobicContact CE3-CG 4.28Å; W199-K210 HydrophobicContact CH2-CB 4.45Å; W199-K210 HydrophobicContact CH2-CD 4.05Å; W199-K210 HydrophobicContact CH2-CG 4.5Å; W199-K210 HydrophobicContact CZ2-CD 3.68Å; W199-K210 HydrophobicContact CZ2-CG 4.21Å; W199-K210 HydrophobicContact CZ3-CB 4.1Å; W199-F314 HydrophobicContact CH2-CD2 4.39Å; W199-F314 AromaticContact CH2-CE2 3.77Å; W199-F314 HydrophobicContact CH2-CE2 3.77Å; W199-F314 HydrophobicContact CH2-CZ 4.24Å; W199-F314 AromaticContact CZ3-CD2 3.72Å; W199-F314 HydrophobicContact CZ3-CD2 3.72Å; W199-F314 AromaticContact CZ3-CE2 3.48Å; W199-F314 HydrophobicContact CZ3-CE2 3.48Å; W199-F314 VanDerWaalsContact CZ3-CE2 3.48Å; W199-F314 HydrophobicContact CZ3-CZ 4.36Å; W199-F318 HydrophobicContact CB-CD1 4.33Å; W199-F318 HydrophobicContact CB-CE1 3.47Å; W199-F318 VanDerWaalsContact CB-CE1 3.47Å; W199-F318 HydrophobicContact CB-CZ 4.12Å; W199-F318 HydrophobicContact CD2-CD1 4.12Å; W199-F318 HydrophobicContact CD2-CE1 4.11Å; W199-F318 HydrophobicContact CE3-CD1 4.09Å; W199-F318 HydrophobicContact CE3-CE1 4.33Å; W199-F318 HydrophobicContact CG-CD1 4.29Å; W199-F318 AromaticContact CG-CE1 3.81Å; W199-F318 HydrophobicContact CG-CE1 3.81Å
200I96.3Very high92.7Very high0 Ų044 Ų440%022%0.216CC..EExtended strand (participates in β ladder)trans-117.3125.8170.4-46.5-162.5000106.8C185 L186 M198 S208 A209 F211 L254 F255 T258 F259C185-I200 WeakPolarHBondContact O-CA 3.43Å; L186-I200 HydrophobicContact CD2-CB 4.09Å; L186-I200 HydrophobicContact CD2-CD1 3.71Å; L186-I200 HydrophobicContact CD2-CG1 3.54Å; L186-I200 HydrophobicContact CD2-CG2 3.9Å; M198-I200 HydrophobicContact CE-CD1 3.79Å; M198-I200 HydrophobicContact CE-CG1 4.08Å; M198-I200 HydrophobicContact CG-CG1 4.48Å; I200-S208 CarbonylContact O-C 3.59Å; I200-S208 WeakPolarHBondContact O-CA 3.37Å; I200-A209 PolarHBondContact N-O 2.85Å; I200-A209 PolarHBondContact O-N 2.9Å; I200-F211 HydrophobicContact CB-CE2 4.46Å; I200-F211 HydrophobicContact CD1-CD2 4.47Å; I200-F211 HydrophobicContact CD1-CE2 4.06Å; I200-F211 HydrophobicContact CG1-CD2 4.17Å; I200-F211 HydrophobicContact CG1-CE2 3.93Å; I200-L254 HydrophobicContact CB-CD2 4.1Å; I200-L254 HydrophobicContact CG2-CD1 4.23Å; I200-L254 HydrophobicContact CG2-CD2 3.96Å; I200-L254 HydrophobicContact CG2-CG 3.84Å; I200-F255 HydrophobicContact CD1-CD1 3.97Å; I200-F255 HydrophobicContact CD1-CE1 3.65Å; I200-T258 HydrophobicContact CG2-CG2 4.15Å; I200-F259 HydrophobicContact CD1-CE2 4.24Å; I200-F259 HydrophobicContact CD1-CZ 4.47Å
201S95.4Very high92.9Very high0 Ų043.7 Ų43.70%021%0.213CC..EExtended strand (participates in β ladder)trans-139.2145.8-177.8-163.80000112.7K184 C185 P207 S208 S317K184-S201 CarbonylContact C-O 3.37Å; K184-S201 WeakPolarHBondContact CA-O 3.42Å; C185-S201 PolarHBondContact N-O 3.06Å; C185-S201 PolarHBondContact O-N 3.09Å; S201-P207 WeakPolarHBondContact CA-O 3.23Å; S201-P207 PolarHBondContact OG-O 2.69Å; S201-S208 WeakPolarHBondContact CB-OG 3.38Å; S201-S208 PolarHBondContact OG-OG 3.01Å; S201-S317 WeakPolarHBondContact OG-CA 3.46Å; S201-S317 WeakPolarHBondContact OG-CB 2.91Å; S201-S317 PolarHBondContact OG-OG 2.91Å
202N94.8Very high93.2Very high28 Ų2839.5 Ų39.515%0.1520%0.195CC..EExtended strand (participates in β ladder)trans-85.1118.3156.6-78.54.8000108.7K184 G206 P207 L254 Q257K184-N202 WeakPolarHBondContact CD-OD1 3.25Å; K184-N202 WeakPolarHBondContact CE-OD1 3.4Å; K184-N202 PolarHBondContact NZ-ND2 3.33Å; K184-N202 PolarHBondContact NZ-OD1 3.13Å; N202-G206 VanDerWaalsContact CB-O 3.26Å; N202-G206 WeakPolarHBondContact CB-O 3.38Å; N202-G206 WeakPolarHBondContact O-CA 3.25Å; N202-G206 PolarHBondContact O-N 2.81Å; N202-P207 PolarHBondContact N-O 2.76Å; N202-P207 VanDerWaalsContact N-O 3.12Å; N202-L254 WeakPolarHBondContact OD1-CD1 3.37Å; N202-Q257 PolarHBondContact ND2-OE1 2.96Å; N202-Q257 VanDerWaalsContact ND2-OE1 3.11Å
203C91.3Very high93.5Very high17 Ų1733.6 Ų33.612%0.11517%0.17CC..THydrogen-bonded Turntrans-99141.5178.2-61.40000110.2C177 N183 S317C177-C203 HydrophobicContact CB-CB 3.86Å; N183-C203 PolarHBondContact O-N 3.04Å; C203-S317 PolarHBondContact SG-OG 3.28Å; C203-S317 VanDerWaalsContact SG-OG 3.4Å
204P87.8Confident93.8Very high82 Ų8229.1 Ų29.153%0.53215%0.152SC..THydrogen-bonded Turncis-91-15.7-0.935.3-34.9000114.4G206 S317P204-G206 PolarHBondContact O-N 3.4Å; P204-S317 WeakPolarHBondContact O-CB 3.44Å
205H87.8Confident94Very high165 Ų16527.1 Ų27.176%0.76415%0.145SC*.THydrogen-bonded Turntrans-80.2-17.2-165.2-58.6-66.1000115.7
206G87.3Confident94.1Very high13 Ų1327.6 Ų27.613%0.13415%0.147CC..  trans89.7-178.7-166.600000112.6N202 P204N202-G206 VanDerWaalsContact CB-O 3.26Å; N202-G206 WeakPolarHBondContact CB-O 3.38Å; N202-G206 WeakPolarHBondContact O-CA 3.25Å; N202-G206 PolarHBondContact O-N 2.81Å; P204-G206 PolarHBondContact O-N 3.4Å
207P94.2Very high94Very high30 Ų3030.3 Ų30.320%0.19516%0.16CC..  cis-77.4167.75.132.7-36.8000113.8S201 N202 L250 F314 Q315S201-P207 WeakPolarHBondContact CA-O 3.23Å; S201-P207 PolarHBondContact OG-O 2.69Å; N202-P207 PolarHBondContact N-O 2.76Å; N202-P207 VanDerWaalsContact N-O 3.12Å; P207-L250 HydrophobicContact CB-CD2 4.42Å; P207-L250 HydrophobicContact CG-CD2 4.11Å; P207-L250 HydrophobicContact CG-CG 4.48Å; P207-F314 WeakPolarHBondContact CA-O 3.46Å; P207-F314 WeakPolarHBondContact CB-O 3.4Å; P207-Q315 WeakPolarHBondContact CA-O 3.43Å
208S95.1Very high93.8Very high0 Ų030.1 Ų30.10%016%0.16CC..EExtended strand (participates in β ladder)trans-122.6130.1173.6-97.50000111.6I200 S201 I313 F314 G316 F318I200-S208 CarbonylContact O-C 3.59Å; I200-S208 WeakPolarHBondContact O-CA 3.37Å; S201-S208 WeakPolarHBondContact CB-OG 3.38Å; S201-S208 PolarHBondContact OG-OG 3.01Å; S208-I313 CarbonylContact O-C 3.59Å; S208-I313 WeakPolarHBondContact O-CA 3.36Å; S208-F314 PolarHBondContact N-O 3.36Å; S208-F314 PolarHBondContact O-N 3.29Å; S208-G316 VanDerWaalsContact CB-O 3.3Å; S208-G316 WeakPolarHBondContact CB-O 3.46Å; S208-G316 PolarHBondContact OG-O 2.86Å; S208-F318 PolarHBondContact OG-N 3.44Å
209A96.3Very high93.4Very high0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-113131.617300000111.2W199 I200 F211 L251 L254 I313W199-A209 WeakPolarHBondContact CA-O 3.38Å; I200-A209 PolarHBondContact N-O 2.85Å; I200-A209 PolarHBondContact O-N 2.9Å; A209-F211 HydrophobicContact CB-CD2 4.42Å; A209-F211 HydrophobicContact CB-CE2 3.5Å; A209-F211 HydrophobicContact CB-CZ 3.74Å; A209-L251 HydrophobicContact CB-CD2 3.48Å; A209-L251 VanDerWaalsContact CB-CD2 3.48Å; A209-L254 HydrophobicContact CB-CD2 3.82Å; A209-I313 HydrophobicContact CB-CG1 4.5Å
210K96Very high92.9Very high29 Ų2936.3 Ų36.313%0.12621%0.206CC..EExtended strand (participates in β ladder)trans-106.5125.4176.1-168.7-176-170130.80111.1E189 W199 I311 K312 F314E189-K210 IonicContact OE1-NZ 3.46Å; E189-K210 WeakPolarHBondContact OE2-CE 3.28Å; E189-K210 IonicContact OE2-NZ 3.97Å; E189-K210 PolarHBondContact OE2-NZ 2.66Å; W199-K210 HydrophobicContact CD2-CB 4.14Å; W199-K210 HydrophobicContact CD2-CD 4.37Å; W199-K210 HydrophobicContact CD2-CG 3.97Å; W199-K210 HydrophobicContact CE3-CB 3.95Å; W199-K210 HydrophobicContact CE3-CG 4.28Å; W199-K210 HydrophobicContact CH2-CB 4.45Å; W199-K210 HydrophobicContact CH2-CD 4.05Å; W199-K210 HydrophobicContact CH2-CG 4.5Å; W199-K210 HydrophobicContact CZ2-CD 3.68Å; W199-K210 HydrophobicContact CZ2-CG 4.21Å; W199-K210 HydrophobicContact CZ3-CB 4.1Å; K210-I311 HydrophobicContact CD-CD1 4.25Å; K210-I311 HydrophobicContact CG-CD1 4.21Å; K210-I311 WeakPolarHBondContact O-CB 3.26Å; K210-I311 PolarHBondContact O-N 3.04Å; K210-K312 PolarHBondContact N-O 2.9Å; K210-F314 HydrophobicContact CB-CE2 4.24Å
211F97Very high92.4Very high0 Ų038.7 Ų38.70%022%0.217CC..EExtended strand (participates in β ladder)trans-117.6148.4178.3-57.1-84.2000111.8Y197 M198 I200 A209 L251 F255 I285 L308 N309 L310Y197-F211 CarbonylContact C-O 3.52Å; Y197-F211 WeakPolarHBondContact CA-O 3.41Å; M198-F211 PolarHBondContact N-O 3.1Å; M198-F211 PolarHBondContact O-N 2.77Å; I200-F211 HydrophobicContact CB-CE2 4.46Å; I200-F211 HydrophobicContact CD1-CD2 4.47Å; I200-F211 HydrophobicContact CD1-CE2 4.06Å; I200-F211 HydrophobicContact CG1-CD2 4.17Å; I200-F211 HydrophobicContact CG1-CE2 3.93Å; A209-F211 HydrophobicContact CB-CD2 4.42Å; A209-F211 HydrophobicContact CB-CE2 3.5Å; A209-F211 HydrophobicContact CB-CZ 3.74Å; F211-L251 HydrophobicContact CE1-CD1 3.95Å; F211-L251 HydrophobicContact CZ-CD1 3.91Å; F211-L251 HydrophobicContact CZ-CD2 3.72Å; F211-L251 HydrophobicContact CZ-CG 4.43Å; F211-F255 HydrophobicContact CE1-CZ 4.16Å; F211-F255 HydrophobicContact CE2-CE1 4.04Å; F211-F255 HydrophobicContact CE2-CZ 4.3Å; F211-F255 AromaticContact CZ-CE1 3.77Å; F211-F255 HydrophobicContact CZ-CE1 3.77Å; F211-F255 AromaticContact CZ-CZ 3.64Å; F211-F255 HydrophobicContact CZ-CZ 3.64Å; F211-I285 HydrophobicContact CE1-CD1 4.18Å; F211-L308 HydrophobicContact CB-CB 4.28Å; F211-L308 HydrophobicContact CB-CD2 4.25Å; F211-L308 HydrophobicContact CD1-CB 3.79Å; F211-L308 HydrophobicContact CD1-CD1 4.42Å; F211-L308 HydrophobicContact CE1-CB 4.42Å; F211-L308 HydrophobicContact CG-CB 4.16Å; F211-L308 HydrophobicContact CG-CD1 4.39Å; F211-N309 CarbonylContact C-O 3.57Å; F211-N309 WeakPolarHBondContact CA-O 2.9Å; F211-L310 HydrophobicContact CD1-CB 4.27Å; F211-L310 HydrophobicContact CD1-CD1 4.12Å; F211-L310 HydrophobicContact CE1-CB 4.18Å; F211-L310 HydrophobicContact CE1-CD1 3.69Å; F211-L310 HydrophobicContact CZ-CD1 4.18Å
212L96.5Very high91.5Very high3 Ų346.9 Ų46.92%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-90125.1156.6177.474.6000107.9Y197 Q214 N309 I311 F329 P332Y197-L212 HydrophobicContact CD1-CB 4.38Å; Y197-L212 HydrophobicContact CD1-CD1 4.05Å; Y197-L212 HydrophobicContact CE1-CB 4.34Å; Y197-L212 HydrophobicContact CE1-CD1 3.64Å; Y197-L212 HydrophobicContact CE2-CD1 4.46Å; L212-Q214 HydrophobicContact CD2-CG 4.05Å; L212-Q214 HydrophobicContact CG-CG 4.15Å; L212-N309 HydrophobicContact CB-CB 4.37Å; L212-N309 PolarHBondContact N-O 2.78Å; L212-N309 PolarHBondContact O-N 2.85Å; L212-I311 HydrophobicContact CB-CD1 4.09Å; L212-I311 HydrophobicContact CB-CG1 4.44Å; L212-F329 HydrophobicContact CB-CE2 3.76Å; L212-F329 HydrophobicContact CB-CZ 4.27Å; L212-F329 HydrophobicContact CD2-CE2 3.85Å; L212-F329 HydrophobicContact CD2-CZ 4.36Å; L212-F329 HydrophobicContact CG-CE2 4.42Å; L212-P332 HydrophobicContact CD1-CG 3.81Å; L212-P332 HydrophobicContact CD2-CG 3.68Å; L212-P332 HydrophobicContact CG-CG 4.43Å
213V96Very high90.9Very high11 Ų1154.8 Ų54.87%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-92127.3177.2-168.50000109.6L196 M198 I216 F306 V307 L308L196-V213 HydrophobicContact CB-CB 4.3Å; L196-V213 HydrophobicContact CD2-CB 3.99Å; L196-V213 HydrophobicContact CD2-CG1 4.29Å; L196-V213 HydrophobicContact CD2-CG2 4.15Å; L196-V213 HydrophobicContact CG-CB 4.14Å; L196-V213 HydrophobicContact CG-CG2 4.15Å; L196-V213 PolarHBondContact O-N 2.74Å; M198-V213 HydrophobicContact CB-CG2 3.55Å; V213-I216 HydrophobicContact CG1-CD1 3.91Å; V213-I216 HydrophobicContact CG1-CG1 3.67Å; V213-F306 HydrophobicContact CG1-CB 4Å; V213-F306 HydrophobicContact CG1-CD2 4.35Å; V213-F306 HydrophobicContact CG1-CG 4.39Å; V213-V307 WeakPolarHBondContact CA-O 3.47Å; V213-L308 HydrophobicContact CB-CD2 4.48Å; V213-L308 HydrophobicContact CG1-CD2 4.3Å; V213-L308 HydrophobicContact CG2-CD2 3.91Å
214Q93.4Very high90.5Very high53 Ų5355.2 Ų55.225%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-127.1166.6179.2-63.7-174.8-31.400110.6L212 I216 V307L212-Q214 HydrophobicContact CD2-CG 4.05Å; L212-Q214 HydrophobicContact CG-CG 4.15Å; Q214-I216 VanDerWaalsContact C-N 3.28Å; Q214-I216 PolarHBondContact O-N 2.96Å; Q214-I216 VanDerWaalsContact O-N 3.16Å; Q214-V307 HydrophobicContact CB-CB 4.36Å; Q214-V307 PolarHBondContact N-O 3.42Å; Q214-V307 PolarHBondContact O-N 3.1Å
215N93.5Very high90.6Very high91 Ų9156.9 Ų56.949%0.48730%0.302SS..EExtended strand (participates in β ladder)trans47.147.8173.4-58.9-3.7000113.6H217 V307N215-H217 PolarHBondContact O-CD2 3.37Å; N215-H217 PolarHBondContact O-N 3.43Å; N215-V307 HydrophobicContact CB-CG2 4.04Å
216I93.8Very high90.6Very high20 Ų2049.7 Ų49.710%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-72.6122.5178.8-56.9167000109.1R143 L147 L196 V213 Q214 T218 F306R143-I216 WeakPolarHBondContact CD-O 3.46Å; R143-I216 HydrophobicContact CG-CG2 3.99Å; R143-I216 PolarHBondContact NH1-O 3.1Å; R143-I216 VanDerWaalsContact NH1-O 3.08Å; L147-I216 HydrophobicContact CB-CG2 4.13Å; L147-I216 HydrophobicContact CD1-CG2 4.4Å; L147-I216 HydrophobicContact CD2-CD1 4.15Å; L147-I216 HydrophobicContact CD2-CG1 4.25Å; L147-I216 HydrophobicContact CD2-CG2 3.88Å; L147-I216 HydrophobicContact CG-CG2 4.36Å; L196-I216 HydrophobicContact CD2-CD1 3.59Å; V213-I216 HydrophobicContact CG1-CD1 3.91Å; V213-I216 HydrophobicContact CG1-CG1 3.67Å; Q214-I216 VanDerWaalsContact C-N 3.28Å; Q214-I216 PolarHBondContact O-N 2.96Å; Q214-I216 VanDerWaalsContact O-N 3.16Å; I216-T218 HydrophobicContact CG2-CG2 4.31Å; I216-F306 HydrophobicContact CG1-CB 4.35Å
217H93.1Very high90.7Very high66 Ų6654.8 Ų54.831%0.30630%0.297SS..EExtended strand (participates in β ladder)trans-122.7126.1168.9-62.9-78.4000108.6N215 E221 M224 P304 R305N215-H217 PolarHBondContact O-CD2 3.37Å; N215-H217 PolarHBondContact O-N 3.43Å; H217-E221 WeakPolarHBondContact CA-OE1 3.44Å; H217-E221 IonicContact CE1-OE2 2.94Å; H217-E221 IonicContact CG-OE2 2.9Å; H217-E221 IonicContact ND1-OE1 3.74Å; H217-E221 IonicContact ND1-OE2 2.68Å; H217-E221 PolarHBondContact ND1-OE2 3Å; H217-M224 HydrophobicContact CB-CE 4.13Å; H217-P304 CarbonylContact O-C 3.56Å; H217-P304 VanDerWaalsContact O-CA 3.27Å; H217-P304 WeakPolarHBondContact O-CA 3.46Å; H217-P304 VanDerWaalsContact O-CB 3.29Å; H217-P304 WeakPolarHBondContact O-CB 3.27Å; H217-R305 HydrophobicContact CB-CB 4.18Å; H217-R305 PolarHBondContact N-O 2.74Å; H217-R305 PolarHBondContact O-N 2.67Å
218T91.5Very high90.5Very high10 Ų1054.3 Ų54.36%0.06129%0.294CS..  trans-96.9164.3-176.249.80000112.3R143 H146 L147 D150 I216 A220 E221R143-T218 HydrophobicContact CG-CG2 3.73Å; H146-T218 HydrophobicContact CB-CG2 3.69Å; L147-T218 HydrophobicContact CB-CG2 4.24Å; D150-T218 WeakPolarHBondContact OD2-CA 3.36Å; D150-T218 WeakPolarHBondContact OD2-CB 3.39Å; I216-T218 HydrophobicContact CG2-CG2 4.31Å; T218-A220 PolarHBondContact O-N 3.5Å; T218-A220 VanDerWaalsContact O-N 3.12Å; T218-E221 PolarHBondContact N-OE1 3.05Å; T218-E221 WeakPolarHBondContact O-CB 3.42Å; T218-E221 PolarHBondContact O-N 2.87Å; T218-E221 VanDerWaalsContact O-N 3.11Å
219L87.5Confident90.3Very high57 Ų5758.6 Ų58.630%0.29832%0.316SS..THydrogen-bonded Turntrans-51.9-35.2177.5-69.5174.9000113.2D150 E221 I302 G303D150-L219 HydrophobicContact CB-CD1 3.64Å; D150-L219 HydrophobicContact CB-CG 3.87Å; D150-L219 PolarHBondContact OD2-N 2.95Å; L219-E221 PolarHBondContact O-N 3.24Å; L219-E221 VanDerWaalsContact O-N 3.16Å; L219-I302 HydrophobicContact CD2-CG2 3.71Å; L219-I302 WeakPolarHBondContact CD2-O 3.47Å; L219-G303 VanDerWaalsContact CD2-C 3.44Å; L219-G303 WeakPolarHBondContact CD2-O 3.01Å
220A85.9Confident89.9Confident87 Ų8766.4 Ų66.472%0.71935%0.35SS*.THydrogen-bonded Turntrans-78.315.1-178.500000115.2T218T218-A220 PolarHBondContact O-N 3.5Å; T218-A220 VanDerWaalsContact O-N 3.12Å
221E86.6Confident89.4Confident51 Ų5165.1 Ų65.124%0.23835%0.346CS..SBendtrans-95.1127.8177.9-68.1-171.8-160.100111.6R143 H217 T218 L219 K223 M224R143-E221 IonicContact NE-OE1 3.95Å; H217-E221 WeakPolarHBondContact CA-OE1 3.44Å; H217-E221 IonicContact CE1-OE2 2.94Å; H217-E221 IonicContact CG-OE2 2.9Å; H217-E221 IonicContact ND1-OE1 3.74Å; H217-E221 IonicContact ND1-OE2 2.68Å; H217-E221 PolarHBondContact ND1-OE2 3Å; T218-E221 PolarHBondContact N-OE1 3.05Å; T218-E221 WeakPolarHBondContact O-CB 3.42Å; T218-E221 PolarHBondContact O-N 2.87Å; T218-E221 VanDerWaalsContact O-N 3.11Å; L219-E221 PolarHBondContact O-N 3.24Å; L219-E221 VanDerWaalsContact O-N 3.16Å; E221-K223 PolarHBondContact O-N 3.44Å; E221-M224 PolarHBondContact O-N 3.35Å
222L76.1Confident89Confident171 Ų17165.1 Ų65.190%0.89535%0.346SS*.THydrogen-bonded Turntrans-51-17-171.2-174.362.7000116.7
223K81.6Confident88.8Confident194 Ų19468.7 Ų68.784%0.84336%0.359SS*.THydrogen-bonded Turntrans-85-10.5178.4-65.9-167.4174.5-165.90114E221E221-K223 PolarHBondContact O-N 3.44Å
224M84.8Confident88.7Confident27 Ų2768.8 Ų68.813%0.13336%0.36CS..  trans-93.8110.5174.8-56.1-53.2-170.700108.5H217 E221 E301 I302 R305H217-M224 HydrophobicContact CB-CE 4.13Å; E221-M224 PolarHBondContact O-N 3.35Å; M224-E301 WeakPolarHBondContact CA-O 3.44Å; M224-E301 HydrophobicContact SD-CB 3.81Å; M224-I302 VanDerWaalsContact CB-O 3.22Å; M224-I302 WeakPolarHBondContact CB-O 3.47Å; M224-I302 WeakPolarHBondContact CG-O 3.26Å; M224-R305 HydrophobicContact CE-CB 3.77Å
225T88.2Confident88.7Confident117 Ų11770.6 Ų70.672%0.71837%0.371SS*.  trans-104.7-13.8-177.753.40000112.9V300 E301T225-V300 VanDerWaalsContact OG1-CG1 3.3Å; T225-V300 WeakPolarHBondContact OG1-CG1 3.29Å; T225-E301 PolarHBondContact N-O 3.14Å
226G88.1Confident88.8Confident14 Ų1468.4 Ų68.414%0.14436%0.359CS..  trans-74.2155.817800000112.6E301G226-E301 PolarHBondContact N-O 2.81Å; G226-E301 VanDerWaalsContact N-O 3.14Å
227N90.8Very high88.9Confident119 Ų11970.3 Ų70.364%0.63637%0.374SS*.  trans-123.1167171.9-173.224000109.5Q291N227-Q291 VanDerWaalsContact O-CG 3.23Å; N227-Q291 WeakPolarHBondContact O-CG 3.33Å; N227-Q291 PolarHBondContact O-NE2 2.78Å; N227-Q291 PolarHBondContact O-OE1 3.31Å
228C90.1Very high89Confident20 Ų2068.9 Ų68.914%0.13537%0.367CS..  trans-153.2149.316663.10000113.1K230 D273 H274 I302C228-K230 PolarHBondContact O-N 3.42Å; C228-D273 WeakPolarHBondContact CA-OD2 3.43Å; C228-D273 WeakPolarHBondContact CB-OD2 3.48Å; C228-H274 HydrophobicContact CB-CB 4.16Å; C228-I302 HydrophobicContact CB-CD1 3.78Å
229L89.8Confident89.3Confident90 Ų9069.9 Ų69.947%0.47137%0.372SS..  trans-56126.4171-68.5179.2000110.7G231 S232 F271 D273L229-G231 PolarHBondContact O-N 3Å; L229-S232 PolarHBondContact O-N 2.83Å; L229-S232 PolarHBondContact O-OG 2.83Å; L229-F271 HydrophobicContact CD1-CB 4.37Å; L229-F271 HydrophobicContact CD1-CD2 4.45Å; L229-D273 PolarHBondContact N-OD2 2.75Å
230K88.4Confident89.6Confident164 Ų16471.7 Ų71.771%0.71339%0.387SS*.THydrogen-bonded Turntrans-68.8118.7180-66.4174.8-176.5165.60109.8T153 C228T153-K230 HydrophobicContact CG2-CD 3.97Å; T153-K230 HydrophobicContact CG2-CG 4.01Å; C228-K230 PolarHBondContact O-N 3.42Å
231G84.5Confident90Very high3 Ų372 Ų723%0.03137%0.372CS..THydrogen-bonded Turntrans81.810.7-178.500000115L229 S268 Q269L229-G231 PolarHBondContact O-N 3Å; G231-S268 CarbonylContact O-C 3.5Å; G231-S268 WeakPolarHBondContact O-CA 3.43Å; G231-Q269 PolarHBondContact O-N 2.64Å
232S90Very high90.4Very high0 Ų069.6 Ų69.60%036%0.361CS..  trans-58.6158.716153.40000110.7L229 P234 F271 H274L229-S232 PolarHBondContact O-N 2.83Å; L229-S232 PolarHBondContact O-OG 2.83Å; S232-P234 WeakPolarHBondContact O-CD 3.43Å; S232-F271 WeakPolarHBondContact CB-O 3.38Å; S232-H274 PolarHBondContact O-CE1 3.42Å; S232-H274 PolarHBondContact OG-CE1 2.96Å; S232-H274 PolarHBondContact OG-ND1 2.88Å
233R91.2Very high91.3Very high78 Ų7866 Ų6629%0.29434%0.343SS..  trans-89.4115-175.2-63.2175.460-135.3-4.7109.2T261 H263 F271R233-T261 WeakPolarHBondContact CA-OG1 3.39Å; R233-T261 WeakPolarHBondContact CG-OG1 3.42Å; R233-H263 PolarHBondContact NH1-ND1 2.7Å; R233-F271 PolarHBondContact N-O 3.21Å
234P93.3Very high91.9Very high13 Ų1364.9 Ų64.98%0.08434%0.338CS..  trans-70.5141.4-179.927.8-32.6000111.2S232 L236 T261 H274 Y276S232-P234 WeakPolarHBondContact O-CD 3.43Å; P234-L236 HydrophobicContact CB-CD2 4.43Å; P234-L236 HydrophobicContact CG-CD2 4.42Å; P234-T261 WeakPolarHBondContact CD-OG1 2.95Å; P234-T261 HydrophobicContact CG-CG2 4.21Å; P234-H274 WeakPolarHBondContact CA-O 3.43Å; P234-H274 WeakPolarHBondContact CB-NE2 3.26Å; P234-Y276 HydrophobicContact CB-CD1 4.34Å; P234-Y276 HydrophobicContact CB-CD2 3.78Å; P234-Y276 HydrophobicContact CB-CE1 4.18Å; P234-Y276 HydrophobicContact CB-CE2 3.59Å; P234-Y276 HydrophobicContact CB-CG 4.12Å; P234-Y276 HydrophobicContact CG-CD2 4.01Å; P234-Y276 HydrophobicContact CG-CE2 3.5Å; P234-Y276 VanDerWaalsContact CG-CE2 3.5Å
235L93.6Very high92.3Very high90 Ų9067.2 Ų67.247%0.47135%0.348SS..EExtended strand (participates in β ladder)trans-76.9141.7157.9-59.9178.9000109.2V272 H274 V275 Y276 I292L235-V272 HydrophobicContact CD1-CG1 3.91Å; L235-V272 HydrophobicContact CD2-CG1 3.86Å; L235-V272 HydrophobicContact CG-CG1 3.52Å; L235-H274 PolarHBondContact N-O 2.94Å; L235-V275 HydrophobicContact CB-CG1 4.18Å; L235-V275 HydrophobicContact CB-CG2 4.21Å; L235-V275 HydrophobicContact CD1-CG2 4.39Å; L235-V275 CarbonylContact O-C 3.29Å; L235-V275 WeakPolarHBondContact O-CA 3.2Å; L235-Y276 PolarHBondContact O-N 2.79Å; L235-I292 HydrophobicContact CD1-CD1 4.24Å
236L95.3Very high92.5Very high46 Ų4666.4 Ų66.424%0.24135%0.345CS..EExtended strand (participates in β ladder)trans-108113.8176.3-52.4-175.6000109.2P234 F238 I256 F259 Y276 F278P234-L236 HydrophobicContact CB-CD2 4.43Å; P234-L236 HydrophobicContact CG-CD2 4.42Å; L236-F238 HydrophobicContact CB-CD2 4.37Å; L236-F238 HydrophobicContact CB-CE2 3.63Å; L236-F238 HydrophobicContact CB-CZ 4.26Å; L236-F238 HydrophobicContact CD1-CE2 4.34Å; L236-F238 HydrophobicContact CD1-CZ 4.46Å; L236-I256 HydrophobicContact CD1-CB 4.4Å; L236-I256 HydrophobicContact CD1-CG1 4.2Å; L236-F259 HydrophobicContact CD2-CB 4.29Å; L236-Y276 HydrophobicContact CD2-CD2 3.57Å; L236-Y276 HydrophobicContact CD2-CE2 4.47Å; L236-Y276 HydrophobicContact CD2-CG 4.21Å; L236-F278 HydrophobicContact CD2-CE2 4.42Å
237S95.9Very high92.7Very high59 Ų5967.6 Ų67.641%0.41335%0.347SS..EExtended strand (participates in β ladder)trans-106.7125.4176.8177.30000110.1Y276 T277 F278S237-Y276 PolarHBondContact N-O 3.14Å; S237-T277 WeakPolarHBondContact O-CA 3.4Å; S237-F278 PolarHBondContact O-N 3.19Å
238F97.1Very high92.9Very high36 Ų3662.2 Ų62.216%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-119.9137.1-178-66.8-85.7000110.8L236 F242 K252 F255 I256 F278L236-F238 HydrophobicContact CB-CD2 4.37Å; L236-F238 HydrophobicContact CB-CE2 3.63Å; L236-F238 HydrophobicContact CB-CZ 4.26Å; L236-F238 HydrophobicContact CD1-CE2 4.34Å; L236-F238 HydrophobicContact CD1-CZ 4.46Å; F238-F242 HydrophobicContact CB-CD2 4.14Å; F238-F242 HydrophobicContact CD1-CD1 4.5Å; F238-F242 HydrophobicContact CD1-CD2 4.08Å; F238-F242 HydrophobicContact CD1-CE2 4.08Å; F238-F242 HydrophobicContact CD1-CG 4.3Å; F238-F242 HydrophobicContact CD1-CZ 4.3Å; F238-K252 HydrophobicContact CD1-CG 4Å; F238-K252 HydrophobicContact CD2-CG 4.26Å; F238-K252 HydrophobicContact CE1-CG 4.11Å; F238-K252 HydrophobicContact CE2-CG 4.35Å; F238-K252 HydrophobicContact CG-CD 4.4Å; F238-K252 HydrophobicContact CG-CG 4.09Å; F238-K252 HydrophobicContact CZ-CG 4.29Å; F238-F255 HydrophobicContact CE1-CB 4.12Å; F238-F255 HydrophobicContact CE1-CD2 4.24Å; F238-F255 HydrophobicContact CZ-CB 4.21Å; F238-I256 HydrophobicContact CE2-CD1 4.13Å; F238-I256 HydrophobicContact CE2-CG1 3.62Å; F238-I256 HydrophobicContact CZ-CD1 4.47Å; F238-I256 HydrophobicContact CZ-CG1 3.72Å; F238-F278 HydrophobicContact CD1-CB 3.71Å; F238-F278 AromaticContact CD1-CD2 3.85Å; F238-F278 HydrophobicContact CD1-CD2 3.85Å; F238-F278 AromaticContact CD1-CG 3.96Å; F238-F278 HydrophobicContact CD1-CG 3.96Å; F238-F278 HydrophobicContact CE1-CB 4.01Å; F238-F278 HydrophobicContact CE1-CD1 4.44Å; F238-F278 AromaticContact CE1-CD2 3.45Å; F238-F278 HydrophobicContact CE1-CD2 3.45Å; F238-F278 VanDerWaalsContact CE1-CD2 3.45Å; F238-F278 AromaticContact CE1-CE2 3.97Å; F238-F278 HydrophobicContact CE1-CE2 3.97Å; F238-F278 AromaticContact CE1-CG 3.73Å; F238-F278 HydrophobicContact CE1-CG 3.73Å; F238-F278 AromaticContact CZ-CD2 3.84Å; F238-F278 HydrophobicContact CZ-CD2 3.84Å; F238-F278 AromaticContact CZ-CE2 3.99Å; F238-F278 HydrophobicContact CZ-CE2 3.99Å
239D96Very high93.2Very high31 Ų3163 Ų6317%0.16633%0.325CS..  trans-59.9131.1168.6-179.4-22.7000110.5K241 F242 F278 I280D239-K241 PolarHBondContact O-N 2.96Å; D239-K241 WeakPolarHBondContact OD1-CB 3.4Å; D239-K241 VanDerWaalsContact OD1-CG 3.26Å; D239-K241 WeakPolarHBondContact OD1-CG 3.33Å; D239-K241 PolarHBondContact OD1-N 3.15Å; D239-K241 IonicContact OD1-NZ 3.82Å; D239-K241 WeakPolarHBondContact OD2-CD 3.08Å; D239-K241 IonicContact OD2-NZ 3.1Å; D239-K241 PolarHBondContact OD2-NZ 3.23Å; D239-F242 HydrophobicContact CB-CD2 4.19Å; D239-F242 HydrophobicContact CB-CE2 4.5Å; D239-F242 WeakPolarHBondContact O-CB 3.43Å; D239-F242 WeakPolarHBondContact O-CD2 3.33Å; D239-F242 PolarHBondContact O-N 3.38Å; D239-F278 PolarHBondContact N-O 2.96Å; D239-I280 PolarHBondContact OD2-N 2.94Å
240P95.1Very high93.4Very high95 Ų9561.6 Ų61.662%0.61732%0.318SS*.G310 helixtrans-54-15.9176.7-28.735.9000115.5F242 D243P240-F242 PolarHBondContact O-N 3.26Å; P240-D243 PolarHBondContact O-N 3.21Å
241K94.8Very high93.8Very high94 Ų9453.8 Ų53.841%0.40928%0.284SS..G310 helixtrans-60.4-25.4169.1-67.7171.1-155.3134.20113.5D239 D243 K244 I280D239-K241 PolarHBondContact O-N 2.96Å; D239-K241 WeakPolarHBondContact OD1-CB 3.4Å; D239-K241 VanDerWaalsContact OD1-CG 3.26Å; D239-K241 WeakPolarHBondContact OD1-CG 3.33Å; D239-K241 PolarHBondContact OD1-N 3.15Å; D239-K241 IonicContact OD1-NZ 3.82Å; D239-K241 WeakPolarHBondContact OD2-CD 3.08Å; D239-K241 IonicContact OD2-NZ 3.1Å; D239-K241 PolarHBondContact OD2-NZ 3.23Å; K241-D243 PolarHBondContact O-N 3.37Å; K241-K244 PolarHBondContact O-N 3.42Å; K241-I280 HydrophobicContact CB-CB 4.44Å; K241-I280 HydrophobicContact CB-CD1 4.11Å; K241-I280 HydrophobicContact CD-CB 4.13Å; K241-I280 HydrophobicContact CD-CG2 4.49Å; K241-I280 PolarHBondContact NZ-O 3.46Å
242F94.8Very high94.3Very high0 Ų055.5 Ų55.50%029%0.291CS..G310 helixtrans-60.9-30178-85.9-86.8000112.7F238 D239 P240 Y248 A249 K252 F255 F278 I280 I285F238-F242 HydrophobicContact CB-CD2 4.14Å; F238-F242 HydrophobicContact CD1-CD1 4.5Å; F238-F242 HydrophobicContact CD1-CD2 4.08Å; F238-F242 HydrophobicContact CD1-CE2 4.08Å; F238-F242 HydrophobicContact CD1-CG 4.3Å; F238-F242 HydrophobicContact CD1-CZ 4.3Å; D239-F242 HydrophobicContact CB-CD2 4.19Å; D239-F242 HydrophobicContact CB-CE2 4.5Å; D239-F242 WeakPolarHBondContact O-CB 3.43Å; D239-F242 WeakPolarHBondContact O-CD2 3.33Å; D239-F242 PolarHBondContact O-N 3.38Å; P240-F242 PolarHBondContact O-N 3.26Å; F242-Y248 WeakPolarHBondContact CD1-O 3.22Å; F242-Y248 CarbonylContact O-C 3.51Å; F242-Y248 VanDerWaalsContact O-C 3.29Å; F242-A249 WeakPolarHBondContact O-CA 3.27Å; F242-A249 PolarHBondContact O-N 3.06Å; F242-K252 HydrophobicContact CB-CB 4.26Å; F242-K252 HydrophobicContact CB-CD 3.97Å; F242-K252 HydrophobicContact CD1-CB 3.96Å; F242-K252 HydrophobicContact CG-CB 4.41Å; F242-F255 HydrophobicContact CE1-CD2 4.36Å; F242-F255 HydrophobicContact CE1-CE2 4.15Å; F242-F255 HydrophobicContact CZ-CE2 4.35Å; F242-F278 HydrophobicContact CE2-CB 3.76Å; F242-F278 WeakPolarHBondContact CE2-O 3.44Å; F242-F278 HydrophobicContact CZ-CB 3.89Å; F242-I280 HydrophobicContact CD1-CD1 4.08Å; F242-I280 HydrophobicContact CD2-CD1 3.64Å; F242-I280 HydrophobicContact CD2-CG1 3.9Å; F242-I280 HydrophobicContact CE1-CD1 4.11Å; F242-I280 HydrophobicContact CE2-CD1 3.67Å; F242-I280 HydrophobicContact CE2-CG1 3.5Å; F242-I280 VanDerWaalsContact CE2-CG1 3.5Å; F242-I280 HydrophobicContact CG-CD1 3.85Å; F242-I280 HydrophobicContact CZ-CD1 3.92Å; F242-I280 HydrophobicContact CZ-CG1 3.87Å; F242-I285 HydrophobicContact CE1-CD1 4.37Å; F242-I285 HydrophobicContact CE1-CG1 4.36Å; F242-I285 HydrophobicContact CZ-CD1 4.38Å; F242-I285 HydrophobicContact CZ-CG1 3.92Å; F242-I285 HydrophobicContact CZ-CG2 3.94Å
243D94.6Very high94.5Very high97 Ų9760.2 Ų60.252%0.51931%0.313SS..G310 helixtrans-88.1-6.1-178-60.5-60.3000113.3P240 K241 K252P240-D243 PolarHBondContact O-N 3.21Å; K241-D243 PolarHBondContact O-N 3.37Å; D243-K252 WeakPolarHBondContact OD1-CD 3.17Å; D243-K252 IonicContact OD1-NZ 3.3Å; D243-K252 PolarHBondContact OD1-NZ 3.14Å; D243-K252 IonicContact OD2-NZ 2.77Å; D243-K252 PolarHBondContact OD2-NZ 2.88Å
244K94.1Very high94.7Very high170 Ų17056.7 Ų56.774%0.73930%0.3SS*.THydrogen-bonded Turntrans-87.5-34-176.9-63.6-172.5-179.7-1720114.1K241K241-K244 PolarHBondContact O-N 3.42Å
245E92.3Very high94.8Very high75 Ų7556 Ų5635%0.3530%0.296SS..SBendtrans-115.6134.5-177.8-60.6-177-178.900110.5Q247 Y248 A249E245-Q247 VanDerWaalsContact C-N 3.29Å; E245-Q247 HydrophobicContact CB-CG 4.25Å; E245-Q247 PolarHBondContact O-N 2.79Å; E245-Q247 PolarHBondContact OE2-NE2 2.93Å; E245-Y248 HydrophobicContact CB-CD2 3.88Å; E245-Y248 HydrophobicContact CG-CD2 4.22Å; E245-Y248 PolarHBondContact O-N 2.93Å; E245-Y248 VanDerWaalsContact OE2-CD2 3.28Å; E245-Y248 WeakPolarHBondContact OE2-CD2 3.37Å; E245-Y248 WeakPolarHBondContact OE2-CE2 3.43Å; E245-A249 PolarHBondContact O-N 3.12Å
246P93.2Very high94.9Very high101 Ų10154.2 Ų54.266%0.65629%0.286SS*.Hα-helixtrans-63.4-33.2-175.125.4-34.2000112.7Y248 A249 L250P246-Y248 VanDerWaalsContact C-N 3.29Å; P246-Y248 PolarHBondContact O-N 3.39Å; P246-A249 PolarHBondContact O-N 3.28Å; P246-L250 PolarHBondContact O-N 3.05Å; P246-L250 VanDerWaalsContact O-N 3.08Å
247Q93Very high94.7Very high38 Ų3854.6 Ų54.618%0.17829%0.286CS..Hα-helixtrans-60.6-36.4172.256.5-90.316.500112.7E245 L251 I313 Y324E245-Q247 VanDerWaalsContact C-N 3.29Å; E245-Q247 HydrophobicContact CB-CG 4.25Å; E245-Q247 PolarHBondContact O-N 2.79Å; E245-Q247 PolarHBondContact OE2-NE2 2.93Å; Q247-L251 VanDerWaalsContact O-CG 3.28Å; Q247-L251 WeakPolarHBondContact O-CG 3.38Å; Q247-L251 PolarHBondContact O-N 2.91Å; Q247-I313 HydrophobicContact CB-CD1 4.07Å; Q247-Y324 HydrophobicContact CB-CD1 4.28Å; Q247-Y324 HydrophobicContact CB-CD2 4.08Å; Q247-Y324 HydrophobicContact CB-CE1 4.47Å; Q247-Y324 HydrophobicContact CB-CE2 4.27Å; Q247-Y324 HydrophobicContact CB-CG 4.08Å; Q247-Y324 HydrophobicContact CG-CD2 4.32Å; Q247-Y324 HydrophobicContact CG-CE1 4.4Å; Q247-Y324 HydrophobicContact CG-CE2 4Å
248Y94.9Very high94.6Very high7 Ų751.8 Ų51.83%0.02727%0.267CS..Hα-helixtrans-81.7-34.6178.5-67.2-50.2000111.7F242 E245 P246 L250 L251 K252 I280 N283 I285F242-Y248 WeakPolarHBondContact CD1-O 3.22Å; F242-Y248 CarbonylContact O-C 3.51Å; F242-Y248 VanDerWaalsContact O-C 3.29Å; E245-Y248 HydrophobicContact CB-CD2 3.88Å; E245-Y248 HydrophobicContact CG-CD2 4.22Å; E245-Y248 PolarHBondContact O-N 2.93Å; E245-Y248 VanDerWaalsContact OE2-CD2 3.28Å; E245-Y248 WeakPolarHBondContact OE2-CD2 3.37Å; E245-Y248 WeakPolarHBondContact OE2-CE2 3.43Å; P246-Y248 VanDerWaalsContact C-N 3.29Å; P246-Y248 PolarHBondContact O-N 3.39Å; Y248-L250 VanDerWaalsContact C-N 3.34Å; Y248-L250 PolarHBondContact O-N 2.98Å; Y248-L251 HydrophobicContact CD1-CD1 4.28Å; Y248-L251 CarbonylContact O-C 3.57Å; Y248-L251 WeakPolarHBondContact O-CA 3.4Å; Y248-L251 PolarHBondContact O-N 2.93Å; Y248-K252 PolarHBondContact O-N 3.11Å; Y248-I280 HydrophobicContact CD1-CD1 3.89Å; Y248-I280 HydrophobicContact CD2-CD1 3.76Å; Y248-I280 HydrophobicContact CE1-CD1 4.14Å; Y248-I280 HydrophobicContact CE2-CD1 4.02Å; Y248-I280 HydrophobicContact CE2-CG2 4.37Å; Y248-I280 HydrophobicContact CG-CD1 3.72Å; Y248-N283 PolarHBondContact OH-O 3.37Å; Y248-I285 HydrophobicContact CD1-CD1 4.36Å; Y248-I285 HydrophobicContact CE1-CD1 4.18Å; Y248-I285 HydrophobicContact CE1-CG1 4.43Å
249A95.6Very high94.5Very high36 Ų3650.2 Ų50.230%0.29826%0.26SS..Hα-helixtrans-59.3-44.6174.200000111.6F242 E245 P246 L251 K252 E253F242-A249 WeakPolarHBondContact O-CA 3.27Å; F242-A249 PolarHBondContact O-N 3.06Å; E245-A249 PolarHBondContact O-N 3.12Å; P246-A249 PolarHBondContact O-N 3.28Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 3.21Å; A249-K252 WeakPolarHBondContact O-CB 3.41Å; A249-K252 PolarHBondContact O-N 2.89Å; A249-E253 PolarHBondContact O-N 2.85Å; A249-E253 VanDerWaalsContact O-N 3.15Å
250L94.5Very high94.3Very high60 Ų6050.6 Ų50.631%0.31427%0.265SS..Hα-helixtrans-61.5-37.6173.7-177151000112.3P207 P246 Y248 L254 I313P207-L250 HydrophobicContact CB-CD2 4.42Å; P207-L250 HydrophobicContact CG-CD2 4.11Å; P207-L250 HydrophobicContact CG-CG 4.48Å; P246-L250 PolarHBondContact O-N 3.05Å; P246-L250 VanDerWaalsContact O-N 3.08Å; Y248-L250 VanDerWaalsContact C-N 3.34Å; Y248-L250 PolarHBondContact O-N 2.98Å; L250-L254 WeakPolarHBondContact O-CB 3.3Å; L250-L254 PolarHBondContact O-N 2.85Å; L250-I313 HydrophobicContact CD2-CD1 4.42Å; L250-I313 HydrophobicContact CD2-CG2 3.97Å
251L95.5Very high94Very high0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-72.5-33.1176.4-70.4-177.5000113.3A209 F211 Q247 Y248 A249 L254 F255 I285 L310 I313A209-L251 HydrophobicContact CB-CD2 3.48Å; A209-L251 VanDerWaalsContact CB-CD2 3.48Å; F211-L251 HydrophobicContact CE1-CD1 3.95Å; F211-L251 HydrophobicContact CZ-CD1 3.91Å; F211-L251 HydrophobicContact CZ-CD2 3.72Å; F211-L251 HydrophobicContact CZ-CG 4.43Å; Q247-L251 VanDerWaalsContact O-CG 3.28Å; Q247-L251 WeakPolarHBondContact O-CG 3.38Å; Q247-L251 PolarHBondContact O-N 2.91Å; Y248-L251 HydrophobicContact CD1-CD1 4.28Å; Y248-L251 CarbonylContact O-C 3.57Å; Y248-L251 WeakPolarHBondContact O-CA 3.4Å; Y248-L251 PolarHBondContact O-N 2.93Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 3.21Å; L251-L254 HydrophobicContact CD2-CD2 4.13Å; L251-L254 PolarHBondContact O-N 2.97Å; L251-F255 HydrophobicContact CB-CE2 4.33Å; L251-F255 HydrophobicContact CB-CZ 4.31Å; L251-F255 WeakPolarHBondContact O-CB 3.21Å; L251-F255 WeakPolarHBondContact O-CD1 3.37Å; L251-F255 WeakPolarHBondContact O-CD2 3.28Å; L251-F255 WeakPolarHBondContact O-CG 3.29Å; L251-F255 PolarHBondContact O-N 2.84Å; L251-I285 HydrophobicContact CD1-CD1 4.08Å; L251-L310 HydrophobicContact CD1-CD1 4.06Å; L251-L310 HydrophobicContact CD1-CD2 3.87Å; L251-L310 HydrophobicContact CD1-CG 4.49Å; L251-I313 HydrophobicContact CD2-CD1 4.37Å; L251-I313 HydrophobicContact CG-CD1 4.28Å
252K96.1Very high93.8Very high40 Ų4041.9 Ų41.917%0.17422%0.218CC..Hα-helixtrans-59.4-51.5173.5179.9177.2172.2-175.10109.7F238 F242 D243 Y248 A249 L254 F255 I256F238-K252 HydrophobicContact CD1-CG 4Å; F238-K252 HydrophobicContact CD2-CG 4.26Å; F238-K252 HydrophobicContact CE1-CG 4.11Å; F238-K252 HydrophobicContact CE2-CG 4.35Å; F238-K252 HydrophobicContact CG-CD 4.4Å; F238-K252 HydrophobicContact CG-CG 4.09Å; F238-K252 HydrophobicContact CZ-CG 4.29Å; F242-K252 HydrophobicContact CB-CB 4.26Å; F242-K252 HydrophobicContact CB-CD 3.97Å; F242-K252 HydrophobicContact CD1-CB 3.96Å; F242-K252 HydrophobicContact CG-CB 4.41Å; D243-K252 WeakPolarHBondContact OD1-CD 3.17Å; D243-K252 IonicContact OD1-NZ 3.3Å; D243-K252 PolarHBondContact OD1-NZ 3.14Å; D243-K252 IonicContact OD2-NZ 2.77Å; D243-K252 PolarHBondContact OD2-NZ 2.88Å; Y248-K252 PolarHBondContact O-N 3.11Å; A249-K252 WeakPolarHBondContact O-CB 3.41Å; A249-K252 PolarHBondContact O-N 2.89Å; K252-L254 PolarHBondContact O-N 2.9Å; K252-F255 PolarHBondContact O-N 2.9Å; K252-I256 HydrophobicContact CG-CD1 3.95Å; K252-I256 VanDerWaalsContact O-CG1 3.27Å; K252-I256 WeakPolarHBondContact O-CG1 2.69Å; K252-I256 PolarHBondContact O-N 2.87Å
253E94.2Very high93.4Very high98 Ų9845.8 Ų45.846%0.45824%0.236SC..Hα-helixtrans-60.1-44.8175.1-70.7-53.9126.400112.9A249 F255 I256 Q257A249-E253 PolarHBondContact O-N 2.85Å; A249-E253 VanDerWaalsContact O-N 3.15Å; E253-F255 VanDerWaalsContact C-N 3.3Å; E253-F255 PolarHBondContact O-N 2.97Å; E253-I256 PolarHBondContact O-N 2.68Å; E253-Q257 WeakPolarHBondContact O-CG 3.07Å; E253-Q257 PolarHBondContact O-N 2.87Å
254L94.9Very high92.9Very high4 Ų444.1 Ų44.12%0.02122%0.223CC..Hα-helixtrans-61.9-37.4177-173.665000112.2I200 N202 A209 L250 L251 K252 T258I200-L254 HydrophobicContact CB-CD2 4.1Å; I200-L254 HydrophobicContact CG2-CD1 4.23Å; I200-L254 HydrophobicContact CG2-CD2 3.96Å; I200-L254 HydrophobicContact CG2-CG 3.84Å; N202-L254 WeakPolarHBondContact OD1-CD1 3.37Å; A209-L254 HydrophobicContact CB-CD2 3.82Å; L250-L254 WeakPolarHBondContact O-CB 3.3Å; L250-L254 PolarHBondContact O-N 2.85Å; L251-L254 HydrophobicContact CD2-CD2 4.13Å; L251-L254 PolarHBondContact O-N 2.97Å; K252-L254 PolarHBondContact O-N 2.9Å; L254-T258 VanDerWaalsContact O-CB 3.29Å; L254-T258 WeakPolarHBondContact O-CB 3.44Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 2.97Å
255F95.7Very high92.6Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-74.4-39.3176.7-65.7-14.2000112.1I200 F211 F238 F242 L251 K252 E253 T258 F259 F278 I285 L308I200-F255 HydrophobicContact CD1-CD1 3.97Å; I200-F255 HydrophobicContact CD1-CE1 3.65Å; F211-F255 HydrophobicContact CE1-CZ 4.16Å; F211-F255 HydrophobicContact CE2-CE1 4.04Å; F211-F255 HydrophobicContact CE2-CZ 4.3Å; F211-F255 AromaticContact CZ-CE1 3.77Å; F211-F255 HydrophobicContact CZ-CE1 3.77Å; F211-F255 AromaticContact CZ-CZ 3.64Å; F211-F255 HydrophobicContact CZ-CZ 3.64Å; F238-F255 HydrophobicContact CE1-CB 4.12Å; F238-F255 HydrophobicContact CE1-CD2 4.24Å; F238-F255 HydrophobicContact CZ-CB 4.21Å; F242-F255 HydrophobicContact CE1-CD2 4.36Å; F242-F255 HydrophobicContact CE1-CE2 4.15Å; F242-F255 HydrophobicContact CZ-CE2 4.35Å; L251-F255 HydrophobicContact CB-CE2 4.33Å; L251-F255 HydrophobicContact CB-CZ 4.31Å; L251-F255 WeakPolarHBondContact O-CB 3.21Å; L251-F255 WeakPolarHBondContact O-CD1 3.37Å; L251-F255 WeakPolarHBondContact O-CD2 3.28Å; L251-F255 WeakPolarHBondContact O-CG 3.29Å; L251-F255 PolarHBondContact O-N 2.84Å; K252-F255 PolarHBondContact O-N 2.9Å; E253-F255 VanDerWaalsContact C-N 3.3Å; E253-F255 PolarHBondContact O-N 2.97Å; F255-T258 PolarHBondContact O-N 2.84Å; F255-F259 HydrophobicContact CB-CD2 4Å; F255-F259 HydrophobicContact CB-CE2 4.4Å; F255-F259 HydrophobicContact CD1-CD2 4.47Å; F255-F259 HydrophobicContact CD1-CE2 4.04Å; F255-F259 HydrophobicContact CG-CD2 4.39Å; F255-F259 HydrophobicContact CG-CE2 4.29Å; F255-F259 WeakPolarHBondContact O-CB 3.27Å; F255-F259 WeakPolarHBondContact O-CD2 3.41Å; F255-F259 PolarHBondContact O-N 2.9Å; F255-F278 HydrophobicContact CB-CE1 4.3Å; F255-F278 HydrophobicContact CB-CZ 4.28Å; F255-F278 AromaticContact CD2-CD1 3.73Å; F255-F278 HydrophobicContact CD2-CD1 3.73Å; F255-F278 AromaticContact CD2-CE1 3.74Å; F255-F278 HydrophobicContact CD2-CE1 3.74Å; F255-F278 HydrophobicContact CD2-CG 4.45Å; F255-F278 HydrophobicContact CD2-CZ 4.49Å; F255-F278 HydrophobicContact CE2-CD1 4.09Å; F255-F278 HydrophobicContact CE2-CE1 4.29Å; F255-F278 HydrophobicContact CG-CE1 4.09Å; F255-I285 HydrophobicContact CE2-CD1 4.03Å; F255-I285 HydrophobicContact CE2-CG2 4.12Å; F255-I285 HydrophobicContact CZ-CD1 4.14Å; F255-L308 HydrophobicContact CZ-CD1 4.15Å
256I94.5Very high92.3Very high51 Ų5137 Ų3726%0.26220%0.199SC..Hα-helixtrans-55-55.7173.1-70.8163.4000109.2L236 F238 K252 E253 T258 S260L236-I256 HydrophobicContact CD1-CB 4.4Å; L236-I256 HydrophobicContact CD1-CG1 4.2Å; F238-I256 HydrophobicContact CE2-CD1 4.13Å; F238-I256 HydrophobicContact CE2-CG1 3.62Å; F238-I256 HydrophobicContact CZ-CD1 4.47Å; F238-I256 HydrophobicContact CZ-CG1 3.72Å; K252-I256 HydrophobicContact CG-CD1 3.95Å; K252-I256 VanDerWaalsContact O-CG1 3.27Å; K252-I256 WeakPolarHBondContact O-CG1 2.69Å; K252-I256 PolarHBondContact O-N 2.87Å; E253-I256 PolarHBondContact O-N 2.68Å; I256-T258 PolarHBondContact O-N 3.03Å; I256-T258 VanDerWaalsContact O-N 3.11Å; I256-S260 WeakPolarHBondContact O-CA 3.49Å; I256-S260 WeakPolarHBondContact O-CB 3.28Å; I256-S260 PolarHBondContact O-N 3.04Å
257Q92.4Very high92.1Very high55 Ų5539.2 Ų39.226%0.25720%0.198SC..Hα-helixtrans-70.5-7.8-177.4-56.6171.115.200114.7K184 N202 E253K184-Q257 VanDerWaalsContact CE-O 3.26Å; K184-Q257 WeakPolarHBondContact CE-O 3.29Å; N202-Q257 PolarHBondContact ND2-OE1 2.96Å; N202-Q257 VanDerWaalsContact ND2-OE1 3.11Å; E253-Q257 WeakPolarHBondContact O-CG 3.07Å; E253-Q257 PolarHBondContact O-N 2.87Å
258T94.3Very high91.9Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-104.6-46179.2-57.90000112.1V132 H157 L186 I200 L254 F255 I256V132-T258 HydrophobicContact CG1-CG2 4.19Å; V132-T258 HydrophobicContact CG2-CG2 4.35Å; V132-T258 WeakPolarHBondContact CG2-O 3.45Å; H157-T258 PolarHBondContact NE2-O 2.89Å; L186-T258 HydrophobicContact CD1-CG2 3.98Å; L186-T258 HydrophobicContact CD2-CG2 3.86Å; L186-T258 HydrophobicContact CG-CG2 3.89Å; I200-T258 HydrophobicContact CG2-CG2 4.15Å; L254-T258 VanDerWaalsContact O-CB 3.29Å; L254-T258 WeakPolarHBondContact O-CB 3.44Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 2.97Å; F255-T258 PolarHBondContact O-N 2.84Å; I256-T258 PolarHBondContact O-N 3.03Å; I256-T258 VanDerWaalsContact O-N 3.11Å
259F94.1Very high91.5Very high2 Ų241.3 Ų41.31%0.00921%0.21CC..Hα-helixtrans-94.9-19.4-175.2-65.9-78.5000113.6L151 M155 I200 L236 F255 Y276 F278L151-F259 HydrophobicContact CD2-CE1 4.12Å; M155-F259 HydrophobicContact CE-CD1 4.46Å; M155-F259 HydrophobicContact SD-CD1 3.68Å; M155-F259 HydrophobicContact SD-CE1 4.32Å; M155-F259 HydrophobicContact SD-CG 4.45Å; I200-F259 HydrophobicContact CD1-CE2 4.24Å; I200-F259 HydrophobicContact CD1-CZ 4.47Å; L236-F259 HydrophobicContact CD2-CB 4.29Å; F255-F259 HydrophobicContact CB-CD2 4Å; F255-F259 HydrophobicContact CB-CE2 4.4Å; F255-F259 HydrophobicContact CD1-CD2 4.47Å; F255-F259 HydrophobicContact CD1-CE2 4.04Å; F255-F259 HydrophobicContact CG-CD2 4.39Å; F255-F259 HydrophobicContact CG-CE2 4.29Å; F255-F259 WeakPolarHBondContact O-CB 3.27Å; F255-F259 WeakPolarHBondContact O-CD2 3.41Å; F255-F259 PolarHBondContact O-N 2.9Å; F259-Y276 HydrophobicContact CB-CD2 4.01Å; F259-Y276 HydrophobicContact CB-CE2 4.19Å; F259-F278 HydrophobicContact CB-CZ 4.41Å; F259-F278 HydrophobicContact CD2-CE1 4.16Å; F259-F278 AromaticContact CD2-CZ 3.71Å; F259-F278 HydrophobicContact CD2-CZ 3.71Å; F259-F278 HydrophobicContact CE2-CE1 4.14Å; F259-F278 HydrophobicContact CE2-CZ 4.14Å; F259-F278 HydrophobicContact CG-CZ 4.08Å
260S91.6Very high91Very high39 Ų3942.7 Ų42.727%0.27322%0.215SC..SBendtrans-63.5140.9168.7-174.30000110.1H157 I256H157-S260 PolarHBondContact CE1-O 3.2Å; H157-S260 PolarHBondContact NE2-O 2.87Å; I256-S260 WeakPolarHBondContact O-CA 3.49Å; I256-S260 WeakPolarHBondContact O-CB 3.28Å; I256-S260 PolarHBondContact O-N 3.04Å
261T89.6Confident90.6Very high3 Ų345.5 Ų45.52%0.01823%0.226CC..PPolyproline II helixtrans-95.3124171.857.10000109.2P156 R233 P234P156-T261 HydrophobicContact CG-CG2 3.88Å; R233-T261 WeakPolarHBondContact CA-OG1 3.39Å; R233-T261 WeakPolarHBondContact CG-OG1 3.42Å; P234-T261 WeakPolarHBondContact CD-OG1 2.95Å; P234-T261 HydrophobicContact CG-CG2 4.21Å
262P89.2Confident90.2Very high4 Ų448 Ų483%0.02624%0.241CC..PPolyproline II helixtrans-62.4142-176.121.1-29.6000111.9N128 E130 H157 H265N128-P262 WeakPolarHBondContact O-CB 3.12Å; E130-P262 HydrophobicContact CB-CG 4.32Å; H157-P262 HydrophobicContact CB-CG 4.1Å; P262-H265 HydrophobicContact CG-CB 4.24Å; P262-H265 WeakPolarHBondContact O-CB 3.41Å; P262-H265 PolarHBondContact O-N 3.23Å
263H86.1Confident90Very high82 Ų8247.3 Ų47.338%0.3824%0.239SC..THydrogen-bonded Turntrans-66.4138.7-176.9-164.844.8000111.1R233 H265R233-H263 PolarHBondContact NH1-ND1 2.7Å; H263-H265 VanDerWaalsContact C-N 3.27Å; H263-H265 PolarHBondContact O-N 3.05Å
264Y85.3Confident89.9Confident62 Ų6242.6 Ų42.624%0.24322%0.217CC..THydrogen-bonded Turntrans57.231.9-172.8-53.1-64.3000115V121 S122 K125V121-Y264 HydrophobicContact CB-CD1 3.88Å; V121-Y264 HydrophobicContact CB-CE1 4.06Å; V121-Y264 HydrophobicContact CG2-CD1 3.75Å; V121-Y264 HydrophobicContact CG2-CE1 4.24Å; V121-Y264 WeakPolarHBondContact O-CD1 3.21Å; S122-Y264 VanDerWaalsContact CB-O 3.25Å; S122-Y264 WeakPolarHBondContact CB-O 3.33Å; K125-Y264 HydrophobicContact CB-CD2 3.47Å; K125-Y264 VanDerWaalsContact CB-CD2 3.47Å; K125-Y264 HydrophobicContact CB-CE2 3.59Å; K125-Y264 HydrophobicContact CB-CG 4.17Å; K125-Y264 HydrophobicContact CD-CE2 3.97Å; K125-Y264 HydrophobicContact CG-CE2 4.41Å; K125-Y264 WeakPolarHBondContact O-CD2 3.48Å
265H87.3Confident89.9Confident21 Ų2143.2 Ų43.210%0.09722%0.221CC..  trans-62.7137.6168.8-176.1-100.2000110W126 P156 P262 H263 K267 S268W126-H265 AromaticContact CH2-CD2 3.98Å; W126-H265 AromaticContact CZ2-CD2 3.68Å; P156-H265 PolarHBondContact O-CE1 2.61Å; P262-H265 HydrophobicContact CG-CB 4.24Å; P262-H265 WeakPolarHBondContact O-CB 3.41Å; P262-H265 PolarHBondContact O-N 3.23Å; H263-H265 VanDerWaalsContact C-N 3.27Å; H263-H265 PolarHBondContact O-N 3.05Å; H265-K267 PolarHBondContact ND1-N 3.14Å; H265-K267 PolarHBondContact O-N 3.06Å; H265-S268 PolarHBondContact N-OG 3.34Å; H265-S268 PolarHBondContact O-N 3.34Å; H265-S268 PolarHBondContact O-OG 3.33Å
266P86.7Confident89.9Confident75 Ų7543.3 Ų43.349%0.48722%0.221SC..THydrogen-bonded Turntrans-60.9-13-174.9-27.635.8000116.1W126W126-P266 HydrophobicContact CE3-CG 4.41Å; W126-P266 HydrophobicContact CZ3-CG 4.35Å
267K88.1Confident90Very high147 Ų14741.8 Ų41.864%0.63921%0.214SC*.THydrogen-bonded Turntrans-114.54.6175.2-54.4-179.1-177.7177.90113.8P156 H265P156-K267 HydrophobicContact CB-CB 3.92Å; H265-K267 PolarHBondContact ND1-N 3.14Å; H265-K267 PolarHBondContact O-N 3.06Å
268S88.9Confident90.2Very high15 Ų1539.2 Ų39.211%0.10520%0.202CC..  trans-85.1132.1176.359.70000110.4G231 H265G231-S268 CarbonylContact O-C 3.5Å; G231-S268 WeakPolarHBondContact O-CA 3.43Å; H265-S268 PolarHBondContact N-OG 3.34Å; H265-S268 PolarHBondContact O-N 3.34Å; H265-S268 PolarHBondContact O-OG 3.33Å
269Q87.6Confident90.3Very high74 Ų7441.7 Ų41.735%0.34622%0.22SC..  trans-75.6152167.4-63.2-62.3-10.200110.2G231 F271G231-Q269 PolarHBondContact O-N 2.64Å; Q269-F271 VanDerWaalsContact C-N 3.32Å
270P85.1Confident90.4Very high64 Ų6442.1 Ų42.142%0.41622%0.222SC..SBendtrans-70.8-29.5-179.928-33.8000112.6
271F85.1Confident90.5Very high120 Ų12042.4 Ų42.453%0.52623%0.226SC..  trans-71.9154.4-175.4-54.2-71.1000113.7L229 S232 R233 Q269L229-F271 HydrophobicContact CD1-CB 4.37Å; L229-F271 HydrophobicContact CD1-CD2 4.45Å; S232-F271 WeakPolarHBondContact CB-O 3.38Å; R233-F271 PolarHBondContact N-O 3.21Å; Q269-F271 VanDerWaalsContact C-N 3.32Å
272V88.3Confident90.6Very high53 Ų5348.5 Ų48.532%0.32126%0.259SS..  trans-118.5104.8179.71760000107.5L235 I292L235-V272 HydrophobicContact CD1-CG1 3.91Å; L235-V272 HydrophobicContact CD2-CG1 3.86Å; L235-V272 HydrophobicContact CG-CG1 3.52Å; V272-I292 HydrophobicContact CG1-CD1 4.25Å
273D90.8Very high90.7Very high24 Ų2451.6 Ų51.613%0.12828%0.275CS..  trans-117.1-17.4-167.9177.129000111.9C228 L229 I292C228-D273 WeakPolarHBondContact CA-OD2 3.43Å; C228-D273 WeakPolarHBondContact CB-OD2 3.48Å; L229-D273 PolarHBondContact N-OD2 2.75Å; D273-I292 PolarHBondContact O-N 3.22Å
274H92.9Very high91.1Very high0 Ų052 Ų520%027%0.273CS..EExtended strand (participates in β ladder)trans-144.8158.3-17667.7-79.9000114.8C228 S232 P234 L235 Y276 N289 Y290 I302C228-H274 HydrophobicContact CB-CB 4.16Å; S232-H274 PolarHBondContact O-CE1 3.42Å; S232-H274 PolarHBondContact OG-CE1 2.96Å; S232-H274 PolarHBondContact OG-ND1 2.88Å; P234-H274 WeakPolarHBondContact CA-O 3.43Å; P234-H274 WeakPolarHBondContact CB-NE2 3.26Å; L235-H274 PolarHBondContact N-O 2.94Å; H274-Y276 AromaticContact CD2-CE1 3.38Å; H274-Y276 WeakPolarHBondContact CD2-CE1 3.35Å; H274-Y276 AromaticContact CD2-CZ 3.93Å; H274-Y276 AromaticContact NE2-CE1 3.06Å; H274-Y276 WeakPolarHBondContact NE2-CE1 3.26Å; H274-Y276 AromaticContact NE2-CE2 3.85Å; H274-Y276 AromaticContact NE2-CZ 2.8Å; H274-Y276 PolarHBondContact NE2-OH 3.02Å; H274-N289 PolarHBondContact CD2-OD1 3.28Å; H274-N289 VanDerWaalsContact CD2-OD1 3.24Å; H274-Y290 CarbonylContact C-O 3.47Å; H274-Y290 WeakPolarHBondContact CA-O 3.47Å; H274-Y290 VanDerWaalsContact CB-O 3.27Å; H274-Y290 WeakPolarHBondContact CB-O 3.08Å; H274-I302 HydrophobicContact CB-CD1 3.81Å
275V94.5Very high91.6Very high17 Ų1749 Ų4910%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-124.8124.7-176.7-170.90000110L235 T277 N289 Y290 I292L235-V275 HydrophobicContact CB-CG1 4.18Å; L235-V275 HydrophobicContact CB-CG2 4.21Å; L235-V275 HydrophobicContact CD1-CG2 4.39Å; L235-V275 CarbonylContact O-C 3.29Å; L235-V275 WeakPolarHBondContact O-CA 3.2Å; V275-T277 HydrophobicContact CG1-CG2 4.12Å; V275-N289 WeakPolarHBondContact O-CA 3.49Å; V275-N289 PolarHBondContact O-OD1 2.77Å; V275-Y290 PolarHBondContact N-O 2.92Å; V275-Y290 PolarHBondContact O-N 3.21Å; V275-I292 HydrophobicContact CG2-CD1 3.77Å; V275-I292 HydrophobicContact CG2-CG1 3.73Å
276Y95.8Very high92Very high1 Ų151 Ų510%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-86.2126.2163.5-59.7-22.7000109.6M154 P234 L235 L236 S237 F259 H274 F287 N289M154-Y276 WeakPolarHBondContact CB-OH 3.39Å; M154-Y276 HydrophobicContact SD-CE1 4.22Å; P234-Y276 HydrophobicContact CB-CD1 4.34Å; P234-Y276 HydrophobicContact CB-CD2 3.78Å; P234-Y276 HydrophobicContact CB-CE1 4.18Å; P234-Y276 HydrophobicContact CB-CE2 3.59Å; P234-Y276 HydrophobicContact CB-CG 4.12Å; P234-Y276 HydrophobicContact CG-CD2 4.01Å; P234-Y276 HydrophobicContact CG-CE2 3.5Å; P234-Y276 VanDerWaalsContact CG-CE2 3.5Å; L235-Y276 PolarHBondContact O-N 2.79Å; L236-Y276 HydrophobicContact CD2-CD2 3.57Å; L236-Y276 HydrophobicContact CD2-CE2 4.47Å; L236-Y276 HydrophobicContact CD2-CG 4.21Å; S237-Y276 PolarHBondContact N-O 3.14Å; F259-Y276 HydrophobicContact CB-CD2 4.01Å; F259-Y276 HydrophobicContact CB-CE2 4.19Å; H274-Y276 AromaticContact CD2-CE1 3.38Å; H274-Y276 WeakPolarHBondContact CD2-CE1 3.35Å; H274-Y276 AromaticContact CD2-CZ 3.93Å; H274-Y276 AromaticContact NE2-CE1 3.06Å; H274-Y276 WeakPolarHBondContact NE2-CE1 3.26Å; H274-Y276 AromaticContact NE2-CE2 3.85Å; H274-Y276 AromaticContact NE2-CZ 2.8Å; H274-Y276 PolarHBondContact NE2-OH 3.02Å; Y276-F287 HydrophobicContact CD1-CE2 4.13Å; Y276-F287 AromaticContact CD1-CZ 3.67Å; Y276-F287 HydrophobicContact CD1-CZ 3.67Å; Y276-F287 HydrophobicContact CD2-CE2 4.16Å; Y276-F287 HydrophobicContact CD2-CZ 4.3Å; Y276-F287 HydrophobicContact CE1-CZ 4.12Å; Y276-F287 AromaticContact CG-CE2 3.77Å; Y276-F287 HydrophobicContact CG-CE2 3.77Å; Y276-F287 AromaticContact CG-CZ 3.8Å; Y276-F287 HydrophobicContact CG-CZ 3.8Å; Y276-N289 HydrophobicContact CD1-CB 4.12Å; Y276-N289 WeakPolarHBondContact CD1-OD1 3.49Å; Y276-N289 HydrophobicContact CE1-CB 4.36Å
277T96.1Very high92.5Very high19 Ų1947.4 Ų47.412%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-110.9131177.954.80000109.9S237 V275 F287 R288 Y290S237-T277 WeakPolarHBondContact O-CA 3.4Å; V275-T277 HydrophobicContact CG1-CG2 4.12Å; T277-F287 WeakPolarHBondContact O-CA 3.46Å; T277-R288 PolarHBondContact N-O 2.89Å; T277-R288 PolarHBondContact O-N 3.02Å; T277-R288 VanDerWaalsContact O-N 3.16Å; T277-R288 WeakPolarHBondContact OG1-CB 3.24Å; T277-R288 PolarHBondContact OG1-O 2.68Å; T277-R288 VanDerWaalsContact OG1-O 3.05Å; T277-Y290 HydrophobicContact CG2-CD2 3.74Å; T277-Y290 HydrophobicContact CG2-CE2 3.91Å; T277-Y290 WeakPolarHBondContact OG1-CE2 3.17Å
278F97.2Very high92.9Very high1 Ų143.6 Ų43.60%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-117105.7174.9-61.3-92.6000108.6L236 S237 F238 D239 F242 F255 F259 I285 W286 F287L236-F278 HydrophobicContact CD2-CE2 4.42Å; S237-F278 PolarHBondContact O-N 3.19Å; F238-F278 HydrophobicContact CD1-CB 3.71Å; F238-F278 AromaticContact CD1-CD2 3.85Å; F238-F278 HydrophobicContact CD1-CD2 3.85Å; F238-F278 AromaticContact CD1-CG 3.96Å; F238-F278 HydrophobicContact CD1-CG 3.96Å; F238-F278 HydrophobicContact CE1-CB 4.01Å; F238-F278 HydrophobicContact CE1-CD1 4.44Å; F238-F278 AromaticContact CE1-CD2 3.45Å; F238-F278 HydrophobicContact CE1-CD2 3.45Å; F238-F278 VanDerWaalsContact CE1-CD2 3.45Å; F238-F278 AromaticContact CE1-CE2 3.97Å; F238-F278 HydrophobicContact CE1-CE2 3.97Å; F238-F278 AromaticContact CE1-CG 3.73Å; F238-F278 HydrophobicContact CE1-CG 3.73Å; F238-F278 AromaticContact CZ-CD2 3.84Å; F238-F278 HydrophobicContact CZ-CD2 3.84Å; F238-F278 AromaticContact CZ-CE2 3.99Å; F238-F278 HydrophobicContact CZ-CE2 3.99Å; D239-F278 PolarHBondContact N-O 2.96Å; F242-F278 HydrophobicContact CE2-CB 3.76Å; F242-F278 WeakPolarHBondContact CE2-O 3.44Å; F242-F278 HydrophobicContact CZ-CB 3.89Å; F255-F278 HydrophobicContact CB-CE1 4.3Å; F255-F278 HydrophobicContact CB-CZ 4.28Å; F255-F278 AromaticContact CD2-CD1 3.73Å; F255-F278 HydrophobicContact CD2-CD1 3.73Å; F255-F278 AromaticContact CD2-CE1 3.74Å; F255-F278 HydrophobicContact CD2-CE1 3.74Å; F255-F278 HydrophobicContact CD2-CG 4.45Å; F255-F278 HydrophobicContact CD2-CZ 4.49Å; F255-F278 HydrophobicContact CE2-CD1 4.09Å; F255-F278 HydrophobicContact CE2-CE1 4.29Å; F255-F278 HydrophobicContact CG-CE1 4.09Å; F259-F278 HydrophobicContact CB-CZ 4.41Å; F259-F278 HydrophobicContact CD2-CE1 4.16Å; F259-F278 AromaticContact CD2-CZ 3.71Å; F259-F278 HydrophobicContact CD2-CZ 3.71Å; F259-F278 HydrophobicContact CE2-CE1 4.14Å; F259-F278 HydrophobicContact CE2-CZ 4.14Å; F259-F278 HydrophobicContact CG-CZ 4.08Å; F278-I285 HydrophobicContact CB-CG2 4.39Å; F278-I285 HydrophobicContact CD1-CG2 4.07Å; F278-W286 WeakPolarHBondContact CA-O 3.48Å; F278-F287 HydrophobicContact CD1-CD2 4.19Å; F278-F287 AromaticContact CE1-CD2 3.61Å; F278-F287 HydrophobicContact CE1-CD2 3.61Å; F278-F287 HydrophobicContact CE1-CE2 4.16Å; F278-F287 AromaticContact CZ-CD2 3.8Å; F278-F287 HydrophobicContact CZ-CD2 3.8Å; F278-F287 AromaticContact CZ-CE2 3.88Å; F278-F287 HydrophobicContact CZ-CE2 3.88Å
279S96.5Very high93.1Very high53 Ų5343 Ų4337%0.37122%0.222SC..EExtended strand (participates in β ladder)trans-113.2137.8-179.2-47.60000111.4I285 W286S279-I285 WeakPolarHBondContact O-CA 3.44Å; S279-W286 PolarHBondContact N-O 3.31Å; S279-W286 PolarHBondContact O-N 2.84Å
280I95.6Very high93.5Very high11 Ų1141.2 Ų41.26%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-101.5114.5179.3-56.4-179.7000109.9D239 K241 F242 Y248 R284 I285D239-I280 PolarHBondContact OD2-N 2.94Å; K241-I280 HydrophobicContact CB-CB 4.44Å; K241-I280 HydrophobicContact CB-CD1 4.11Å; K241-I280 HydrophobicContact CD-CB 4.13Å; K241-I280 HydrophobicContact CD-CG2 4.49Å; K241-I280 PolarHBondContact NZ-O 3.46Å; F242-I280 HydrophobicContact CD1-CD1 4.08Å; F242-I280 HydrophobicContact CD2-CD1 3.64Å; F242-I280 HydrophobicContact CD2-CG1 3.9Å; F242-I280 HydrophobicContact CE1-CD1 4.11Å; F242-I280 HydrophobicContact CE2-CD1 3.67Å; F242-I280 HydrophobicContact CE2-CG1 3.5Å; F242-I280 VanDerWaalsContact CE2-CG1 3.5Å; F242-I280 HydrophobicContact CG-CD1 3.85Å; F242-I280 HydrophobicContact CZ-CD1 3.92Å; F242-I280 HydrophobicContact CZ-CG1 3.87Å; Y248-I280 HydrophobicContact CD1-CD1 3.89Å; Y248-I280 HydrophobicContact CD2-CD1 3.76Å; Y248-I280 HydrophobicContact CE1-CD1 4.14Å; Y248-I280 HydrophobicContact CE2-CD1 4.02Å; Y248-I280 HydrophobicContact CE2-CG2 4.37Å; Y248-I280 HydrophobicContact CG-CD1 3.72Å; I280-R284 WeakPolarHBondContact CA-O 3.43Å; I280-I285 HydrophobicContact CG1-CG1 4.24Å
281A93.6Very high93.9Very high44 Ų4440.4 Ų40.436%0.36420%0.203SC..EExtended strand (participates in β ladder)trans-139138.2172.300000109.9N283 R284A281-N283 PolarHBondContact O-N 3.39Å; A281-R284 PolarHBondContact N-O 2.88Å; A281-R284 PolarHBondContact O-N 3.21Å
282D91.7Very high94.2Very high132 Ų13236.6 Ų36.671%0.70619%0.188SC*.THydrogen-bonded Turntrans52.338.4-175.9-49.2-28.9000114.1R284D282-R284 PolarHBondContact O-N 2.85Å; D282-R284 VanDerWaalsContact O-N 3.12Å
283N91.3Very high94.3Very high68 Ų6836.4 Ų36.436%0.36419%0.185SC..THydrogen-bonded Turntrans55.921.6-173.3-59.733.5000113.8Y248 A281Y248-N283 PolarHBondContact OH-O 3.37Å; A281-N283 PolarHBondContact O-N 3.39Å
284R94.3Very high93.8Very high90 Ų9043.6 Ų43.634%0.3422%0.218SC..EExtended strand (participates in β ladder)trans-115.1145.1174.2-57.7177.5-154.5176.818.2110I280 A281 D282 V307 L308 N309I280-R284 WeakPolarHBondContact CA-O 3.43Å; A281-R284 PolarHBondContact N-O 2.88Å; A281-R284 PolarHBondContact O-N 3.21Å; D282-R284 PolarHBondContact O-N 2.85Å; D282-R284 VanDerWaalsContact O-N 3.12Å; R284-V307 HydrophobicContact CB-CG1 3.61Å; R284-V307 HydrophobicContact CG-CG1 4.27Å; R284-L308 WeakPolarHBondContact CA-O 3.26Å; R284-N309 HydrophobicContact CG-CB 4.04Å
285I96.3Very high93.1Very high1 Ų152 Ų521%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-94.1118.4178.5-62.9147.2000107.4F211 F242 Y248 L251 F255 F278 S279 I280 V307 L308F211-I285 HydrophobicContact CE1-CD1 4.18Å; F242-I285 HydrophobicContact CE1-CD1 4.37Å; F242-I285 HydrophobicContact CE1-CG1 4.36Å; F242-I285 HydrophobicContact CZ-CD1 4.38Å; F242-I285 HydrophobicContact CZ-CG1 3.92Å; F242-I285 HydrophobicContact CZ-CG2 3.94Å; Y248-I285 HydrophobicContact CD1-CD1 4.36Å; Y248-I285 HydrophobicContact CE1-CD1 4.18Å; Y248-I285 HydrophobicContact CE1-CG1 4.43Å; L251-I285 HydrophobicContact CD1-CD1 4.08Å; F255-I285 HydrophobicContact CE2-CD1 4.03Å; F255-I285 HydrophobicContact CE2-CG2 4.12Å; F255-I285 HydrophobicContact CZ-CD1 4.14Å; F278-I285 HydrophobicContact CB-CG2 4.39Å; F278-I285 HydrophobicContact CD1-CG2 4.07Å; S279-I285 WeakPolarHBondContact O-CA 3.44Å; I280-I285 HydrophobicContact CG1-CG1 4.24Å; I285-V307 WeakPolarHBondContact O-CA 3.47Å; I285-L308 HydrophobicContact CB-CB 4.28Å; I285-L308 PolarHBondContact N-O 3.29Å; I285-L308 PolarHBondContact O-N 3.44Å
286W96.8Very high92.2Very high61 Ų6157.3 Ų57.323%0.23128%0.284CS..EExtended strand (participates in β ladder)trans-91.1123174.3-65.970.2000108.4F278 S279 V307F278-W286 WeakPolarHBondContact CA-O 3.48Å; S279-W286 PolarHBondContact N-O 3.31Å; S279-W286 PolarHBondContact O-N 2.84Å; W286-V307 HydrophobicContact CD2-CG2 3.57Å; W286-V307 HydrophobicContact CE3-CG2 3.44Å; W286-V307 VanDerWaalsContact CE3-CG2 3.44Å; W286-V307 HydrophobicContact CG-CG2 4.17Å; W286-V307 HydrophobicContact CH2-CG2 4.15Å; W286-V307 HydrophobicContact CZ2-CG2 4.24Å; W286-V307 HydrophobicContact CZ3-CG2 3.74Å
287F96.9Very high91.6Very high1 Ų161 Ų610%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-99128.4170.3179.4-90.8000109.4Y276 T277 F278 N289 P304 R305 F306Y276-F287 HydrophobicContact CD1-CE2 4.13Å; Y276-F287 AromaticContact CD1-CZ 3.67Å; Y276-F287 HydrophobicContact CD1-CZ 3.67Å; Y276-F287 HydrophobicContact CD2-CE2 4.16Å; Y276-F287 HydrophobicContact CD2-CZ 4.3Å; Y276-F287 HydrophobicContact CE1-CZ 4.12Å; Y276-F287 AromaticContact CG-CE2 3.77Å; Y276-F287 HydrophobicContact CG-CE2 3.77Å; Y276-F287 AromaticContact CG-CZ 3.8Å; Y276-F287 HydrophobicContact CG-CZ 3.8Å; T277-F287 WeakPolarHBondContact O-CA 3.46Å; F278-F287 HydrophobicContact CD1-CD2 4.19Å; F278-F287 AromaticContact CE1-CD2 3.61Å; F278-F287 HydrophobicContact CE1-CD2 3.61Å; F278-F287 HydrophobicContact CE1-CE2 4.16Å; F278-F287 AromaticContact CZ-CD2 3.8Å; F278-F287 HydrophobicContact CZ-CD2 3.8Å; F278-F287 AromaticContact CZ-CE2 3.88Å; F278-F287 HydrophobicContact CZ-CE2 3.88Å; F287-N289 HydrophobicContact CE1-CB 4.44Å; F287-P304 WeakPolarHBondContact CD1-O 3.47Å; F287-P304 HydrophobicContact CE1-CG 4.5Å; F287-P304 WeakPolarHBondContact CE1-O 3.48Å; F287-R305 WeakPolarHBondContact O-CA 3.43Å; F287-F306 HydrophobicContact CB-CD1 4.45Å; F287-F306 HydrophobicContact CB-CD2 3.89Å; F287-F306 HydrophobicContact CB-CE1 4.15Å; F287-F306 HydrophobicContact CB-CE2 3.54Å; F287-F306 HydrophobicContact CB-CG 4.33Å; F287-F306 HydrophobicContact CB-CZ 3.69Å; F287-F306 AromaticContact CD1-CD1 3.87Å; F287-F306 HydrophobicContact CD1-CD1 3.87Å; F287-F306 AromaticContact CD1-CE1 3.26Å; F287-F306 HydrophobicContact CD1-CE1 3.26Å; F287-F306 HydrophobicContact CD1-CE2 4.21Å; F287-F306 AromaticContact CD1-CZ 3.46Å; F287-F306 HydrophobicContact CD1-CZ 3.46Å; F287-F306 VanDerWaalsContact CD1-CZ 3.46Å; F287-F306 HydrophobicContact CD2-CZ 4.09Å; F287-F306 AromaticContact CE1-CE1 3.77Å; F287-F306 HydrophobicContact CE1-CE1 3.77Å; F287-F306 HydrophobicContact CE1-CZ 4.08Å; F287-F306 HydrophobicContact CG-CD1 4.45Å; F287-F306 AromaticContact CG-CE1 3.79Å; F287-F306 HydrophobicContact CG-CE1 3.79Å; F287-F306 AromaticContact CG-CE2 3.87Å; F287-F306 HydrophobicContact CG-CE2 3.87Å; F287-F306 AromaticContact CG-CZ 3.45Å; F287-F306 HydrophobicContact CG-CZ 3.45Å; F287-F306 VanDerWaalsContact CG-CZ 3.45Å; F287-F306 PolarHBondContact N-O 2.79Å; F287-F306 PolarHBondContact O-N 3.48Å
288R94.9Very high91.3Very high67 Ų6762.3 Ų62.325%0.25333%0.326SS..EExtended strand (participates in β ladder)trans-138.1151.7167.5-48-177.9-172.5-160.417.7110.4T277 Y290 E301 R305T277-R288 PolarHBondContact N-O 2.89Å; T277-R288 PolarHBondContact O-N 3.02Å; T277-R288 VanDerWaalsContact O-N 3.16Å; T277-R288 WeakPolarHBondContact OG1-CB 3.24Å; T277-R288 PolarHBondContact OG1-O 2.68Å; T277-R288 VanDerWaalsContact OG1-O 3.05Å; R288-Y290 HydrophobicContact CB-CD2 4.39Å; R288-Y290 HydrophobicContact CB-CE2 3.75Å; R288-Y290 WeakPolarHBondContact CD-OH 3.33Å; R288-Y290 PolarHBondContact NH1-OH 3.27Å; R288-E301 IonicContact CZ-OE1 2.83Å; R288-E301 IonicContact NH1-OE1 2.7Å; R288-E301 PolarHBondContact NH1-OE1 3.11Å; R288-R305 HydrophobicContact CG-CG 4.28Å
289N94.5Very high91Very high1 Ų166.8 Ų66.81%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-118126.6176.9-177.529000109.5H274 V275 Y276 F287 I302 G303H274-N289 PolarHBondContact CD2-OD1 3.28Å; H274-N289 VanDerWaalsContact CD2-OD1 3.24Å; V275-N289 WeakPolarHBondContact O-CA 3.49Å; V275-N289 PolarHBondContact O-OD1 2.77Å; Y276-N289 HydrophobicContact CD1-CB 4.12Å; Y276-N289 WeakPolarHBondContact CD1-OD1 3.49Å; Y276-N289 HydrophobicContact CE1-CB 4.36Å; F287-N289 HydrophobicContact CE1-CB 4.44Å; N289-I302 PolarHBondContact O-N 3.14Å; N289-G303 VanDerWaalsContact CB-O 3.23Å; N289-G303 WeakPolarHBondContact CB-O 3.27Å; N289-G303 PolarHBondContact ND2-O 2.85Å; N289-G303 PolarHBondContact O-N 3.2Å
290Y94.9Very high90.9Very high38 Ų3865.9 Ų65.915%0.14934%0.341CS..EExtended strand (participates in β ladder)trans-119.9136.4-177.6-69.5-81.9000110.8H274 V275 T277 R288 L299 V300 E301H274-Y290 CarbonylContact C-O 3.47Å; H274-Y290 WeakPolarHBondContact CA-O 3.47Å; H274-Y290 VanDerWaalsContact CB-O 3.27Å; H274-Y290 WeakPolarHBondContact CB-O 3.08Å; V275-Y290 PolarHBondContact N-O 2.92Å; V275-Y290 PolarHBondContact O-N 3.21Å; T277-Y290 HydrophobicContact CG2-CD2 3.74Å; T277-Y290 HydrophobicContact CG2-CE2 3.91Å; T277-Y290 WeakPolarHBondContact OG1-CE2 3.17Å; R288-Y290 HydrophobicContact CB-CD2 4.39Å; R288-Y290 HydrophobicContact CB-CE2 3.75Å; R288-Y290 WeakPolarHBondContact CD-OH 3.33Å; R288-Y290 PolarHBondContact NH1-OH 3.27Å; Y290-L299 HydrophobicContact CD1-CB 3.95Å; Y290-L299 HydrophobicContact CG-CB 4.26Å; Y290-V300 CarbonylContact C-O 3.52Å; Y290-V300 VanDerWaalsContact CA-O 3.29Å; Y290-V300 WeakPolarHBondContact CA-O 3.38Å; Y290-E301 HydrophobicContact CD1-CG 3.84Å; Y290-E301 HydrophobicContact CE1-CB 4.45Å; Y290-E301 HydrophobicContact CE1-CG 3.27Å; Y290-E301 PolarHBondContact OH-OE1 2.82Å
291Q94Very high90.7Very high46 Ų4667.5 Ų67.522%0.21535%0.348CS..EExtended strand (participates in β ladder)trans-76.3143.4165.7-169.3176.70.800109.2N227 L299 V300 I302N227-Q291 VanDerWaalsContact O-CG 3.23Å; N227-Q291 WeakPolarHBondContact O-CG 3.33Å; N227-Q291 PolarHBondContact O-NE2 2.78Å; N227-Q291 PolarHBondContact O-OE1 3.31Å; Q291-L299 WeakPolarHBondContact O-CA 3.26Å; Q291-L299 WeakPolarHBondContact O-CD2 3.33Å; Q291-V300 PolarHBondContact N-O 3.16Å; Q291-V300 PolarHBondContact O-N 2.88Å; Q291-I302 HydrophobicContact CB-CD1 3.74Å; Q291-I302 HydrophobicContact CB-CG1 3.76Å; Q291-I302 VanDerWaalsContact N-CD1 3.28Å
292I92.4Very high90.7Very high40 Ų4065.8 Ų65.821%0.20533%0.333CS..EExtended strand (participates in β ladder)trans-92.7119.7167.8-54.3170.8000107.2L235 V272 D273 V275 L299L235-I292 HydrophobicContact CD1-CD1 4.24Å; V272-I292 HydrophobicContact CG1-CD1 4.25Å; D273-I292 PolarHBondContact O-N 3.22Å; V275-I292 HydrophobicContact CG2-CD1 3.77Å; V275-I292 HydrophobicContact CG2-CG1 3.73Å; I292-L299 HydrophobicContact CG1-CD2 4.19Å
293I90.3Very high90.5Very high50 Ų5059.5 Ų59.526%0.25630%0.3SS..EExtended strand (participates in β ladder)trans-89.4114.9169-64-178000107.6E295 A297 S298 V300I293-E295 VanDerWaalsContact C-N 3.25Å; I293-E295 HydrophobicContact CG2-CB 4.22Å; I293-E295 PolarHBondContact O-N 2.84Å; I293-A297 VanDerWaalsContact O-CA 3.24Å; I293-A297 WeakPolarHBondContact O-CA 3.48Å; I293-A297 PolarHBondContact O-N 2.78Å; I293-S298 PolarHBondContact N-O 3.38Å; I293-V300 HydrophobicContact CD1-CG2 3.58Å; I293-V300 HydrophobicContact CG1-CG2 4.36Å
294E78.8Confident90.6Very high175 Ų17556.3 Ų56.382%0.81828%0.282SS*.THydrogen-bonded Turntrans-62.8-29.6-174.5-64.1-173.6162.500113.2
295E78.2Confident90.6Very high175 Ų17554.9 Ų54.982%0.81828%0.277SS*.THydrogen-bonded Turntrans-67.4-44.5-176.5-61.2176.617100113.1I293I293-E295 VanDerWaalsContact C-N 3.25Å; I293-E295 HydrophobicContact CG2-CB 4.22Å; I293-E295 PolarHBondContact O-N 2.84Å
296D77Confident90.5Very high129 Ų12955 Ų5569%0.6928%0.278SS*.THydrogen-bonded Turntrans-116.6-0.3-173.3-73.2-36.5000113.8S298D296-S298 PolarHBondContact O-N 3.42Å; D296-S298 VanDerWaalsContact O-N 3.07Å
297A82.1Confident90.5Very high80 Ų8052.2 Ų52.266%0.66127%0.267SS*.THydrogen-bonded Turntrans51.622.5-164.100000114.1I293I293-A297 VanDerWaalsContact O-CA 3.24Å; I293-A297 WeakPolarHBondContact O-CA 3.48Å; I293-A297 PolarHBondContact O-N 2.78Å
298S89.6Confident90.5Very high46 Ų4652.1 Ų52.132%0.32227%0.267SS..EExtended strand (participates in β ladder)trans-80.6154.7-177.670.20000111.8I293 D296I293-S298 PolarHBondContact N-O 3.38Å; D296-S298 PolarHBondContact O-N 3.42Å; D296-S298 VanDerWaalsContact O-N 3.07Å
299L92.4Very high90.6Very high94 Ų9449.6 Ų49.649%0.49226%0.258SS..EExtended strand (participates in β ladder)trans-115.4122.6-173.5-65.1-179.3000112.1Y290 Q291 I292Y290-L299 HydrophobicContact CD1-CB 3.95Å; Y290-L299 HydrophobicContact CG-CB 4.26Å; Q291-L299 WeakPolarHBondContact O-CA 3.26Å; Q291-L299 WeakPolarHBondContact O-CD2 3.33Å; I292-L299 HydrophobicContact CG1-CD2 4.19Å
300V93.3Very high90.6Very high34 Ų3449.6 Ų49.621%0.20626%0.259CS..EExtended strand (participates in β ladder)trans-114.4133.9-179.7178.20000111.2T225 Y290 Q291 I293 I302T225-V300 VanDerWaalsContact OG1-CG1 3.3Å; T225-V300 WeakPolarHBondContact OG1-CG1 3.29Å; Y290-V300 CarbonylContact C-O 3.52Å; Y290-V300 VanDerWaalsContact CA-O 3.29Å; Y290-V300 WeakPolarHBondContact CA-O 3.38Å; Q291-V300 PolarHBondContact N-O 3.16Å; Q291-V300 PolarHBondContact O-N 2.88Å; I293-V300 HydrophobicContact CD1-CG2 3.58Å; I293-V300 HydrophobicContact CG1-CG2 4.36Å; V300-I302 PolarHBondContact O-N 3.3Å
301E92.5Very high90.6Very high46 Ų4648.5 Ų48.522%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-68.6117.7179.7-70.1-165.9179.700111.5M224 T225 G226 R288 Y290 R305M224-E301 WeakPolarHBondContact CA-O 3.44Å; M224-E301 HydrophobicContact SD-CB 3.81Å; T225-E301 PolarHBondContact N-O 3.14Å; G226-E301 PolarHBondContact N-O 2.81Å; G226-E301 VanDerWaalsContact N-O 3.14Å; R288-E301 IonicContact CZ-OE1 2.83Å; R288-E301 IonicContact NH1-OE1 2.7Å; R288-E301 PolarHBondContact NH1-OE1 3.11Å; Y290-E301 HydrophobicContact CD1-CG 3.84Å; Y290-E301 HydrophobicContact CE1-CB 4.45Å; Y290-E301 HydrophobicContact CE1-CG 3.27Å; Y290-E301 PolarHBondContact OH-OE1 2.82Å; E301-R305 IonicContact OE1-NH1 4Å; E301-R305 IonicContact OE2-NH1 3.22Å; E301-R305 PolarHBondContact OE2-NH1 3.37Å
302I91.7Very high90.7Very high7 Ų748.9 Ų48.94%0.03626%0.256CS..  trans-91.6-38.7170.8-52.9157.4000110.2L219 M224 C228 H274 N289 Q291 V300L219-I302 HydrophobicContact CD2-CG2 3.71Å; L219-I302 WeakPolarHBondContact CD2-O 3.47Å; M224-I302 VanDerWaalsContact CB-O 3.22Å; M224-I302 WeakPolarHBondContact CB-O 3.47Å; M224-I302 WeakPolarHBondContact CG-O 3.26Å; C228-I302 HydrophobicContact CB-CD1 3.78Å; H274-I302 HydrophobicContact CB-CD1 3.81Å; N289-I302 PolarHBondContact O-N 3.14Å; Q291-I302 HydrophobicContact CB-CD1 3.74Å; Q291-I302 HydrophobicContact CB-CG1 3.76Å; Q291-I302 VanDerWaalsContact N-CD1 3.28Å; V300-I302 PolarHBondContact O-N 3.3Å
303G87.6Confident90.9Very high1 Ų147.1 Ų47.11%0.0125%0.247CC..  trans75.4-175.9-164.800000113.5L219 N289L219-G303 VanDerWaalsContact CD2-C 3.44Å; L219-G303 WeakPolarHBondContact CD2-O 3.01Å; N289-G303 VanDerWaalsContact CB-O 3.23Å; N289-G303 WeakPolarHBondContact CB-O 3.27Å; N289-G303 PolarHBondContact ND2-O 2.85Å; N289-G303 PolarHBondContact O-N 3.2Å
304P93.8Very high91.1Very high0 Ų046.1 Ų46.10%024%0.241CC..  cis-67156.5-2.232-35.7000111.4L147 D150 M154 H217 F287 F306L147-P304 HydrophobicContact CD1-CB 3.67Å; L147-P304 HydrophobicContact CD1-CG 3.89Å; D150-P304 HydrophobicContact CB-CB 4.48Å; D150-P304 HydrophobicContact CB-CG 4.09Å; M154-P304 HydrophobicContact CE-CG 3.72Å; M154-P304 WeakPolarHBondContact SD-CD 3.49Å; M154-P304 HydrophobicContact SD-CG 4.45Å; H217-P304 CarbonylContact O-C 3.56Å; H217-P304 VanDerWaalsContact O-CA 3.27Å; H217-P304 WeakPolarHBondContact O-CA 3.46Å; H217-P304 VanDerWaalsContact O-CB 3.29Å; H217-P304 WeakPolarHBondContact O-CB 3.27Å; F287-P304 WeakPolarHBondContact CD1-O 3.47Å; F287-P304 HydrophobicContact CE1-CG 4.5Å; F287-P304 WeakPolarHBondContact CE1-O 3.48Å; P304-F306 HydrophobicContact CG-CE1 4.45Å
305R93.9Very high91.9Very high61 Ų6143.2 Ų43.223%0.2323%0.227CC..EExtended strand (participates in β ladder)trans-119.5133.7176.7166.2177176.7173.5-2108.9H217 M224 F287 R288 E301H217-R305 HydrophobicContact CB-CB 4.18Å; H217-R305 PolarHBondContact N-O 2.74Å; H217-R305 PolarHBondContact O-N 2.67Å; M224-R305 HydrophobicContact CE-CB 3.77Å; F287-R305 WeakPolarHBondContact O-CA 3.43Å; R288-R305 HydrophobicContact CG-CG 4.28Å; E301-R305 IonicContact OE1-NH1 4Å; E301-R305 IonicContact OE2-NH1 3.22Å; E301-R305 PolarHBondContact OE2-NH1 3.37Å
306F95.9Very high92.6Very high3 Ų335.7 Ų35.71%0.01320%0.196CC..EExtended strand (participates in β ladder)trans-155.7162.2176.954.1-94.5000111L147 V213 I216 F287 P304 L308L147-F306 HydrophobicContact CD1-CD1 3.7Å; L147-F306 HydrophobicContact CD1-CE1 3.98Å; V213-F306 HydrophobicContact CG1-CB 4Å; V213-F306 HydrophobicContact CG1-CD2 4.35Å; V213-F306 HydrophobicContact CG1-CG 4.39Å; I216-F306 HydrophobicContact CG1-CB 4.35Å; F287-F306 HydrophobicContact CB-CD1 4.45Å; F287-F306 HydrophobicContact CB-CD2 3.89Å; F287-F306 HydrophobicContact CB-CE1 4.15Å; F287-F306 HydrophobicContact CB-CE2 3.54Å; F287-F306 HydrophobicContact CB-CG 4.33Å; F287-F306 HydrophobicContact CB-CZ 3.69Å; F287-F306 AromaticContact CD1-CD1 3.87Å; F287-F306 HydrophobicContact CD1-CD1 3.87Å; F287-F306 AromaticContact CD1-CE1 3.26Å; F287-F306 HydrophobicContact CD1-CE1 3.26Å; F287-F306 HydrophobicContact CD1-CE2 4.21Å; F287-F306 AromaticContact CD1-CZ 3.46Å; F287-F306 HydrophobicContact CD1-CZ 3.46Å; F287-F306 VanDerWaalsContact CD1-CZ 3.46Å; F287-F306 HydrophobicContact CD2-CZ 4.09Å; F287-F306 AromaticContact CE1-CE1 3.77Å; F287-F306 HydrophobicContact CE1-CE1 3.77Å; F287-F306 HydrophobicContact CE1-CZ 4.08Å; F287-F306 HydrophobicContact CG-CD1 4.45Å; F287-F306 AromaticContact CG-CE1 3.79Å; F287-F306 HydrophobicContact CG-CE1 3.79Å; F287-F306 AromaticContact CG-CE2 3.87Å; F287-F306 HydrophobicContact CG-CE2 3.87Å; F287-F306 AromaticContact CG-CZ 3.45Å; F287-F306 HydrophobicContact CG-CZ 3.45Å; F287-F306 VanDerWaalsContact CG-CZ 3.45Å; F287-F306 PolarHBondContact N-O 2.79Å; F287-F306 PolarHBondContact O-N 3.48Å; P304-F306 HydrophobicContact CG-CE1 4.45Å; F306-L308 HydrophobicContact CD2-CD2 3.61Å; F306-L308 HydrophobicContact CD2-CG 3.91Å; F306-L308 HydrophobicContact CE2-CD1 4.08Å; F306-L308 HydrophobicContact CE2-CD2 3.72Å; F306-L308 HydrophobicContact CE2-CG 3.85Å
307V96.5Very high93.3Very high2 Ų230 Ų301%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-116.1126.3179.1179.70000108.9V213 Q214 N215 R284 I285 W286V213-V307 WeakPolarHBondContact CA-O 3.47Å; Q214-V307 HydrophobicContact CB-CB 4.36Å; Q214-V307 PolarHBondContact N-O 3.42Å; Q214-V307 PolarHBondContact O-N 3.1Å; N215-V307 HydrophobicContact CB-CG2 4.04Å; R284-V307 HydrophobicContact CB-CG1 3.61Å; R284-V307 HydrophobicContact CG-CG1 4.27Å; I285-V307 WeakPolarHBondContact O-CA 3.47Å; W286-V307 HydrophobicContact CD2-CG2 3.57Å; W286-V307 HydrophobicContact CE3-CG2 3.44Å; W286-V307 VanDerWaalsContact CE3-CG2 3.44Å; W286-V307 HydrophobicContact CG-CG2 4.17Å; W286-V307 HydrophobicContact CH2-CG2 4.15Å; W286-V307 HydrophobicContact CZ2-CG2 4.24Å; W286-V307 HydrophobicContact CZ3-CG2 3.74Å
308L96.6Very high93.6Very high0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-100.3117.6175.4-56.8-175.6000109.4M198 F211 V213 F255 R284 I285 F306M198-L308 HydrophobicContact CE-CD1 3.79Å; M198-L308 HydrophobicContact CE-CD2 3.51Å; M198-L308 HydrophobicContact CE-CG 4.31Å; F211-L308 HydrophobicContact CB-CB 4.28Å; F211-L308 HydrophobicContact CB-CD2 4.25Å; F211-L308 HydrophobicContact CD1-CB 3.79Å; F211-L308 HydrophobicContact CD1-CD1 4.42Å; F211-L308 HydrophobicContact CE1-CB 4.42Å; F211-L308 HydrophobicContact CG-CB 4.16Å; F211-L308 HydrophobicContact CG-CD1 4.39Å; V213-L308 HydrophobicContact CB-CD2 4.48Å; V213-L308 HydrophobicContact CG1-CD2 4.3Å; V213-L308 HydrophobicContact CG2-CD2 3.91Å; F255-L308 HydrophobicContact CZ-CD1 4.15Å; R284-L308 WeakPolarHBondContact CA-O 3.26Å; I285-L308 HydrophobicContact CB-CB 4.28Å; I285-L308 PolarHBondContact N-O 3.29Å; I285-L308 PolarHBondContact O-N 3.44Å; F306-L308 HydrophobicContact CD2-CD2 3.61Å; F306-L308 HydrophobicContact CD2-CG 3.91Å; F306-L308 HydrophobicContact CE2-CD1 4.08Å; F306-L308 HydrophobicContact CE2-CD2 3.72Å; F306-L308 HydrophobicContact CE2-CG 3.85Å
309N95.8Very high93.5Very high13 Ų1326.1 Ų26.17%0.0714%0.138CC..EExtended strand (participates in β ladder)trans-100.7116.7169.4-172.9-3.7000108.6F211 L212 R284F211-N309 CarbonylContact C-O 3.57Å; F211-N309 WeakPolarHBondContact CA-O 2.9Å; L212-N309 HydrophobicContact CB-CB 4.37Å; L212-N309 PolarHBondContact N-O 2.78Å; L212-N309 PolarHBondContact O-N 2.85Å; R284-N309 HydrophobicContact CG-CB 4.04Å
310L95.4Very high93.4Very high2 Ų224.3 Ų24.31%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-66.9133.2-178.5-179.960.3000110.6F211 L251 I313 Y324 N326F211-L310 HydrophobicContact CD1-CB 4.27Å; F211-L310 HydrophobicContact CD1-CD1 4.12Å; F211-L310 HydrophobicContact CE1-CB 4.18Å; F211-L310 HydrophobicContact CE1-CD1 3.69Å; F211-L310 HydrophobicContact CZ-CD1 4.18Å; L251-L310 HydrophobicContact CD1-CD1 4.06Å; L251-L310 HydrophobicContact CD1-CD2 3.87Å; L251-L310 HydrophobicContact CD1-CG 4.49Å; L310-I313 HydrophobicContact CD1-CD1 4.46Å; L310-I313 HydrophobicContact CD1-CG1 3.95Å; L310-I313 HydrophobicContact CD2-CD1 4.18Å; L310-I313 HydrophobicContact CD2-CG1 4.44Å; L310-Y324 HydrophobicContact CD2-CD1 3.82Å; L310-Y324 HydrophobicContact CD2-CE1 3.59Å; L310-Y324 HydrophobicContact CG-CD1 4.46Å; L310-Y324 HydrophobicContact CG-CE1 4.3Å; L310-N326 VanDerWaalsContact O-CB 3.26Å; L310-N326 WeakPolarHBondContact O-CB 3.34Å; L310-N326 PolarHBondContact O-ND2 3.17Å
311I95.6Very high93.5Very high14 Ų1426.4 Ų26.47%0.07216%0.156CC..EExtended strand (participates in β ladder)trans-104.7-65177.9-52.8-176.3000109.7Y197 K210 L212 N326 F329Y197-I311 HydrophobicContact CD1-CD1 3.47Å; Y197-I311 VanDerWaalsContact CD1-CD1 3.47Å; Y197-I311 HydrophobicContact CE1-CD1 3.58Å; K210-I311 HydrophobicContact CD-CD1 4.25Å; K210-I311 HydrophobicContact CG-CD1 4.21Å; K210-I311 WeakPolarHBondContact O-CB 3.26Å; K210-I311 PolarHBondContact O-N 3.04Å; L212-I311 HydrophobicContact CB-CD1 4.09Å; L212-I311 HydrophobicContact CB-CG1 4.44Å; I311-N326 PolarHBondContact O-N 3.35Å; I311-F329 HydrophobicContact CB-CD1 4.35Å; I311-F329 HydrophobicContact CB-CE1 4.42Å; I311-F329 HydrophobicContact CB-CG 4.46Å; I311-F329 HydrophobicContact CD1-CE1 3.93Å; I311-F329 HydrophobicContact CD1-CE2 3.89Å; I311-F329 HydrophobicContact CD1-CZ 3.51Å; I311-F329 HydrophobicContact CG1-CD1 4.18Å; I311-F329 HydrophobicContact CG1-CD2 3.86Å; I311-F329 HydrophobicContact CG1-CE1 3.94Å; I311-F329 HydrophobicContact CG1-CE2 3.62Å; I311-F329 HydrophobicContact CG1-CG 4.15Å; I311-F329 HydrophobicContact CG1-CZ 3.66Å; I311-F329 HydrophobicContact CG2-CD1 3.76Å; I311-F329 HydrophobicContact CG2-CE1 3.79Å; I311-F329 HydrophobicContact CG2-CG 4.32Å; I311-F329 HydrophobicContact CG2-CZ 4.39Å
312K95.1Very high93.6Very high55 Ų5527.2 Ų27.224%0.23916%0.164CC..EExtended strand (participates in β ladder)trans-148.3149.6-177.1-73177.5-164.6-113.80110.2K210 F314 T322 Y324 E325K210-K312 PolarHBondContact N-O 2.9Å; K312-F314 HydrophobicContact CB-CE2 3.8Å; K312-F314 HydrophobicContact CB-CZ 3.79Å; K312-F314 HydrophobicContact CD-CE1 4.36Å; K312-F314 HydrophobicContact CD-CZ 3.92Å; K312-T322 HydrophobicContact CB-CG2 4.14Å; K312-T322 HydrophobicContact CD-CG2 4.1Å; K312-T322 HydrophobicContact CG-CG2 4.04Å; K312-Y324 CarbonylContact C-O 3.56Å; K312-Y324 WeakPolarHBondContact CA-O 3.47Å; K312-E325 WeakPolarHBondContact CE-OE1 3.38Å; K312-E325 HydrophobicContact CG-CB 4.06Å; K312-E325 HydrophobicContact CG-CG 4.02Å; K312-E325 IonicContact NZ-OE1 2.64Å; K312-E325 PolarHBondContact NZ-OE1 2.95Å; K312-E325 IonicContact NZ-OE2 2.61Å; K312-E325 PolarHBondContact NZ-OE2 2.83Å
313I96.4Very high93.7Very high3 Ų331.5 Ų31.52%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-112.6135.4167.4-57.1171.5000107.5S208 A209 Q247 L250 L251 L310 T322 L323 Y324S208-I313 CarbonylContact O-C 3.59Å; S208-I313 WeakPolarHBondContact O-CA 3.36Å; A209-I313 HydrophobicContact CB-CG1 4.5Å; Q247-I313 HydrophobicContact CB-CD1 4.07Å; L250-I313 HydrophobicContact CD2-CD1 4.42Å; L250-I313 HydrophobicContact CD2-CG2 3.97Å; L251-I313 HydrophobicContact CD2-CD1 4.37Å; L251-I313 HydrophobicContact CG-CD1 4.28Å; L310-I313 HydrophobicContact CD1-CD1 4.46Å; L310-I313 HydrophobicContact CD1-CG1 3.95Å; L310-I313 HydrophobicContact CD2-CD1 4.18Å; L310-I313 HydrophobicContact CD2-CG1 4.44Å; I313-T322 CarbonylContact O-C 3.56Å; I313-T322 WeakPolarHBondContact O-CA 3.43Å; I313-L323 HydrophobicContact CG2-CB 4.41Å; I313-L323 HydrophobicContact CG2-CD1 4.42Å; I313-L323 PolarHBondContact O-N 3.36Å; I313-Y324 HydrophobicContact CD1-CD1 4.27Å; I313-Y324 HydrophobicContact CD1-CG 4.48Å; I313-Y324 HydrophobicContact CG1-CD1 4.47Å; I313-Y324 PolarHBondContact N-O 3.14Å; I313-Y324 PolarHBondContact O-N 2.88Å
314F95.9Very high94.1Very high28 Ų2833.9 Ų33.912%0.12320%0.196CC..EExtended strand (participates in β ladder)trans-117.3146.3179.7-56.2-89.3000109.9W199 P207 S208 K210 K312 P321 T322W199-F314 HydrophobicContact CH2-CD2 4.39Å; W199-F314 AromaticContact CH2-CE2 3.77Å; W199-F314 HydrophobicContact CH2-CE2 3.77Å; W199-F314 HydrophobicContact CH2-CZ 4.24Å; W199-F314 AromaticContact CZ3-CD2 3.72Å; W199-F314 HydrophobicContact CZ3-CD2 3.72Å; W199-F314 AromaticContact CZ3-CE2 3.48Å; W199-F314 HydrophobicContact CZ3-CE2 3.48Å; W199-F314 VanDerWaalsContact CZ3-CE2 3.48Å; W199-F314 HydrophobicContact CZ3-CZ 4.36Å; P207-F314 WeakPolarHBondContact CA-O 3.46Å; P207-F314 WeakPolarHBondContact CB-O 3.4Å; S208-F314 PolarHBondContact N-O 3.36Å; S208-F314 PolarHBondContact O-N 3.29Å; K210-F314 HydrophobicContact CB-CE2 4.24Å; K312-F314 HydrophobicContact CB-CE2 3.8Å; K312-F314 HydrophobicContact CB-CZ 3.79Å; K312-F314 HydrophobicContact CD-CE1 4.36Å; K312-F314 HydrophobicContact CD-CZ 3.92Å; F314-P321 WeakPolarHBondContact CA-O 3.49Å; F314-T322 WeakPolarHBondContact CE1-OG1 3.44Å
315Q94.7Very high94.1Very high114 Ų11439.1 Ų39.153%0.53322%0.22SC..SBendtrans-68.8-40.6179.5-169.9-178.27.200112.5P207 P321 L323P207-Q315 WeakPolarHBondContact CA-O 3.43Å; Q315-P321 HydrophobicContact CB-CG 3.95Å; Q315-P321 PolarHBondContact N-O 3.02Å; Q315-L323 HydrophobicContact CB-CD1 4.04Å; Q315-L323 HydrophobicContact CB-CD2 4.04Å; Q315-L323 HydrophobicContact CB-CG 3.96Å; Q315-L323 HydrophobicContact CG-CD1 4.42Å; Q315-L323 HydrophobicContact CG-CD2 4.4Å
316G93.3Very high94.1Very high17 Ų1736.7 Ų36.718%0.17521%0.212CC..SBendtrans-94.9171.3-17800000113.5S208 F318 G319S208-G316 VanDerWaalsContact CB-O 3.3Å; S208-G316 WeakPolarHBondContact CB-O 3.46Å; S208-G316 PolarHBondContact OG-O 2.86Å; G316-F318 PolarHBondContact O-N 3.07Å; G316-G319 CarbonylContact C-O 3.59Å; G316-G319 VanDerWaalsContact CA-O 3.29Å; G316-G319 WeakPolarHBondContact CA-O 3.49Å; G316-G319 PolarHBondContact N-O 3.18Å
317S91.1Very high94Very high11 Ų1141.8 Ų41.88%0.07725%0.245CC..SBendtrans-75.9116.5173.1-1710000111N174 S201 C203 P204 G319N174-S317 PolarHBondContact ND2-O 2.82Å; N174-S317 VanDerWaalsContact OD1-CB 3.27Å; N174-S317 WeakPolarHBondContact OD1-CB 2.99Å; N174-S317 PolarHBondContact OD1-OG 3.26Å; S201-S317 WeakPolarHBondContact OG-CA 3.46Å; S201-S317 WeakPolarHBondContact OG-CB 2.91Å; S201-S317 PolarHBondContact OG-OG 2.91Å; C203-S317 PolarHBondContact SG-OG 3.28Å; C203-S317 VanDerWaalsContact SG-OG 3.4Å; P204-S317 WeakPolarHBondContact O-CB 3.44Å; S317-G319 PolarHBondContact O-N 3.16Å; S317-G319 VanDerWaalsContact O-N 3.14Å
318F89.4Confident93.6Very high15 Ų1546.9 Ų46.97%0.06627%0.272CS..SBendtrans57.918.6-178.4-65.8-82.7000115.8L170 V173 C185 F187 W199 S208 G316L170-F318 HydrophobicContact CB-CB 3.88Å; L170-F318 HydrophobicContact CB-CD1 4.29Å; L170-F318 HydrophobicContact CB-CG 4.42Å; V173-F318 HydrophobicContact CB-CD2 3.99Å; V173-F318 HydrophobicContact CB-CE2 4Å; V173-F318 HydrophobicContact CB-CG 4.39Å; V173-F318 HydrophobicContact CB-CZ 4.38Å; V173-F318 HydrophobicContact CG1-CD2 3.89Å; V173-F318 HydrophobicContact CG1-CE1 4.35Å; V173-F318 HydrophobicContact CG1-CE2 3.38Å; V173-F318 HydrophobicContact CG1-CZ 3.66Å; C185-F318 HydrophobicContact CB-CE2 4.04Å; C185-F318 HydrophobicContact CB-CZ 4.2Å; C185-F318 VanDerWaalsContact SG-CZ 3.59Å; F187-F318 HydrophobicContact CB-CE1 3.94Å; F187-F318 HydrophobicContact CB-CZ 3.96Å; F187-F318 HydrophobicContact CD1-CE1 4.01Å; F187-F318 HydrophobicContact CG-CE1 4.35Å; W199-F318 HydrophobicContact CB-CD1 4.33Å; W199-F318 HydrophobicContact CB-CE1 3.47Å; W199-F318 VanDerWaalsContact CB-CE1 3.47Å; W199-F318 HydrophobicContact CB-CZ 4.12Å; W199-F318 HydrophobicContact CD2-CD1 4.12Å; W199-F318 HydrophobicContact CD2-CE1 4.11Å; W199-F318 HydrophobicContact CE3-CD1 4.09Å; W199-F318 HydrophobicContact CE3-CE1 4.33Å; W199-F318 HydrophobicContact CG-CD1 4.29Å; W199-F318 AromaticContact CG-CE1 3.81Å; W199-F318 HydrophobicContact CG-CE1 3.81Å; S208-F318 PolarHBondContact OG-N 3.44Å; G316-F318 PolarHBondContact O-N 3.07Å
319G87.3Confident93.4Very high29 Ų2948.7 Ų48.730%0.29928%0.28SS..  trans-177.3-163.8-178.700000112.9G316 S317G316-G319 CarbonylContact C-O 3.59Å; G316-G319 VanDerWaalsContact CA-O 3.29Å; G316-G319 WeakPolarHBondContact CA-O 3.49Å; G316-G319 PolarHBondContact N-O 3.18Å; S317-G319 PolarHBondContact O-N 3.16Å; S317-G319 VanDerWaalsContact O-N 3.14Å
320G90.2Very high93.2Very high56 Ų5656 Ų5658%0.57731%0.307SS*.SBendtrans84.1-177.1-174.300000113.5
321P94.6Very high93.1Very high78 Ų7857.4 Ų57.451%0.50632%0.317SS..  trans-64.9150.3-179.328.1-35.2000111.7F314 Q315F314-P321 WeakPolarHBondContact CA-O 3.49Å; Q315-P321 HydrophobicContact CB-CG 3.95Å; Q315-P321 PolarHBondContact N-O 3.02Å
322T95.3Very high93Very high62 Ų6257.8 Ų57.838%0.3832%0.32SS..EExtended strand (participates in β ladder)trans-81.8116.3175.9-59.10000108.7K312 I313 F314 Y324 E325K312-T322 HydrophobicContact CB-CG2 4.14Å; K312-T322 HydrophobicContact CD-CG2 4.1Å; K312-T322 HydrophobicContact CG-CG2 4.04Å; I313-T322 CarbonylContact O-C 3.56Å; I313-T322 WeakPolarHBondContact O-CA 3.43Å; F314-T322 WeakPolarHBondContact CE1-OG1 3.44Å; T322-Y324 VanDerWaalsContact CG2-O 3.27Å; T322-Y324 WeakPolarHBondContact CG2-O 3.4Å; T322-E325 HydrophobicContact CG2-CB 4.29Å
323L94.3Very high92.8Very high98 Ų9857.4 Ų57.451%0.51332%0.321SS..EExtended strand (participates in β ladder)trans-79.3-32.9176.9-64.9177.7000112.1I313 Q315I313-L323 HydrophobicContact CG2-CB 4.41Å; I313-L323 HydrophobicContact CG2-CD1 4.42Å; I313-L323 PolarHBondContact O-N 3.36Å; Q315-L323 HydrophobicContact CB-CD1 4.04Å; Q315-L323 HydrophobicContact CB-CD2 4.04Å; Q315-L323 HydrophobicContact CB-CG 3.96Å; Q315-L323 HydrophobicContact CG-CD1 4.42Å; Q315-L323 HydrophobicContact CG-CD2 4.4Å
324Y95.3Very high92.7Very high51 Ų5161.1 Ų61.120%0.234%0.34CS..EExtended strand (participates in β ladder)trans-149.8140.2-179.5177-94.5000110.2Q247 L310 K312 I313 T322 N326Q247-Y324 HydrophobicContact CB-CD1 4.28Å; Q247-Y324 HydrophobicContact CB-CD2 4.08Å; Q247-Y324 HydrophobicContact CB-CE1 4.47Å; Q247-Y324 HydrophobicContact CB-CE2 4.27Å; Q247-Y324 HydrophobicContact CB-CG 4.08Å; Q247-Y324 HydrophobicContact CG-CD2 4.32Å; Q247-Y324 HydrophobicContact CG-CE1 4.4Å; Q247-Y324 HydrophobicContact CG-CE2 4Å; L310-Y324 HydrophobicContact CD2-CD1 3.82Å; L310-Y324 HydrophobicContact CD2-CE1 3.59Å; L310-Y324 HydrophobicContact CG-CD1 4.46Å; L310-Y324 HydrophobicContact CG-CE1 4.3Å; K312-Y324 CarbonylContact C-O 3.56Å; K312-Y324 WeakPolarHBondContact CA-O 3.47Å; I313-Y324 HydrophobicContact CD1-CD1 4.27Å; I313-Y324 HydrophobicContact CD1-CG 4.48Å; I313-Y324 HydrophobicContact CG1-CD1 4.47Å; I313-Y324 PolarHBondContact N-O 3.14Å; I313-Y324 PolarHBondContact O-N 2.88Å; T322-Y324 VanDerWaalsContact CG2-O 3.27Å; T322-Y324 WeakPolarHBondContact CG2-O 3.4Å; Y324-N326 HydrophobicContact CE1-CB 3.99Å
325E94.6Very high92.5Very high110 Ų11064.5 Ų64.551%0.51436%0.356SS..EExtended strand (participates in β ladder)trans-129.5131.7171.1175.6158.1-155.800109.2K312 T322 P327K312-E325 WeakPolarHBondContact CE-OE1 3.38Å; K312-E325 HydrophobicContact CG-CB 4.06Å; K312-E325 HydrophobicContact CG-CG 4.02Å; K312-E325 IonicContact NZ-OE1 2.64Å; K312-E325 PolarHBondContact NZ-OE1 2.95Å; K312-E325 IonicContact NZ-OE2 2.61Å; K312-E325 PolarHBondContact NZ-OE2 2.83Å; T322-E325 HydrophobicContact CG2-CB 4.29Å; E325-P327 VanDerWaalsContact O-CD 3.26Å; E325-P327 WeakPolarHBondContact O-CD 3.47Å
326N93.6Very high92.5Very high9 Ų962.6 Ų62.65%0.04834%0.344CS..  trans-80.6111.4-177.9-179.50.8000110.6L310 I311 Y324 N328 F329L310-N326 VanDerWaalsContact O-CB 3.26Å; L310-N326 WeakPolarHBondContact O-CB 3.34Å; L310-N326 PolarHBondContact O-ND2 3.17Å; I311-N326 PolarHBondContact O-N 3.35Å; Y324-N326 HydrophobicContact CE1-CB 3.99Å; N326-N328 PolarHBondContact O-N 2.8Å; N326-N328 WeakPolarHBondContact OD1-CB 3.12Å; N326-N328 PolarHBondContact OD1-N 3.4Å; N326-F329 HydrophobicContact CB-CB 4Å; N326-F329 WeakPolarHBondContact O-CB 3.46Å; N326-F329 PolarHBondContact O-N 2.81Å; N326-F329 VanDerWaalsContact O-N 3.14Å
327P92.1Very high92.6Very high111 Ų11170.2 Ų70.272%0.72137%0.368SS*.THydrogen-bonded Turntrans-66-25.7-179.928.5-35.7000112.6E325 F329E325-P327 VanDerWaalsContact O-CD 3.26Å; E325-P327 WeakPolarHBondContact O-CD 3.47Å; P327-F329 VanDerWaalsContact C-N 3.26Å; P327-F329 PolarHBondContact O-N 2.99Å
328N90.1Very high92.8Very high108 Ų10872.8 Ų72.858%0.57838%0.379SS*.THydrogen-bonded Turntrans-81.2-5.5180-62.7-26.1000112.6N326 R330N326-N328 PolarHBondContact O-N 2.8Å; N326-N328 WeakPolarHBondContact OD1-CB 3.12Å; N326-N328 PolarHBondContact OD1-N 3.4Å; N328-R330 PolarHBondContact O-N 3.08Å
329F92.4Very high93.1Very high39 Ų3976.6 Ų76.617%0.17140%0.399CS..  trans-76.3104.3-178.3178.2-102.1000112.6L212 I311 N326 P327L212-F329 HydrophobicContact CB-CE2 3.76Å; L212-F329 HydrophobicContact CB-CZ 4.27Å; L212-F329 HydrophobicContact CD2-CE2 3.85Å; L212-F329 HydrophobicContact CD2-CZ 4.36Å; L212-F329 HydrophobicContact CG-CE2 4.42Å; I311-F329 HydrophobicContact CB-CD1 4.35Å; I311-F329 HydrophobicContact CB-CE1 4.42Å; I311-F329 HydrophobicContact CB-CG 4.46Å; I311-F329 HydrophobicContact CD1-CE1 3.93Å; I311-F329 HydrophobicContact CD1-CE2 3.89Å; I311-F329 HydrophobicContact CD1-CZ 3.51Å; I311-F329 HydrophobicContact CG1-CD1 4.18Å; I311-F329 HydrophobicContact CG1-CD2 3.86Å; I311-F329 HydrophobicContact CG1-CE1 3.94Å; I311-F329 HydrophobicContact CG1-CE2 3.62Å; I311-F329 HydrophobicContact CG1-CG 4.15Å; I311-F329 HydrophobicContact CG1-CZ 3.66Å; I311-F329 HydrophobicContact CG2-CD1 3.76Å; I311-F329 HydrophobicContact CG2-CE1 3.79Å; I311-F329 HydrophobicContact CG2-CG 4.32Å; I311-F329 HydrophobicContact CG2-CZ 4.39Å; N326-F329 HydrophobicContact CB-CB 4Å; N326-F329 WeakPolarHBondContact O-CB 3.46Å; N326-F329 PolarHBondContact O-N 2.81Å; N326-F329 VanDerWaalsContact O-N 3.14Å; P327-F329 VanDerWaalsContact C-N 3.26Å; P327-F329 PolarHBondContact O-N 2.99Å
330R91.2Very high93.6Very high165 Ų16584 Ų8462%0.62342%0.418SS*.  trans-92.9123.2165.9-63.3-166.5-174.4-156.77.1111.3N328 E338N328-R330 PolarHBondContact O-N 3.08Å; R330-E338 IonicContact CZ-OE1 2.6Å; R330-E338 IonicContact NH1-OE1 3.86Å; R330-E338 PolarHBondContact NH1-OE1 2.85Å; R330-E338 IonicContact NH1-OE2 2.75Å
331S92.3Very high93.9Very high33 Ų3386.3 Ų86.323%0.23142%0.416CS..  trans-68144.817780.40000112.1N333 L334 H335S331-N333 PolarHBondContact O-N 2.73Å; S331-N333 VanDerWaalsContact O-N 3.09Å; S331-L334 WeakPolarHBondContact O-CB 3.34Å; S331-L334 PolarHBondContact O-N 2.84Å; S331-L334 WeakPolarHBondContact OG-CB 3.33Å; S331-L334 PolarHBondContact OG-N 2.97Å; S331-H335 PolarHBondContact O-N 3.27Å
332P93.2Very high94Very high21 Ų2185 Ų8514%0.13641%0.412CS..Hα-helixtrans-58.1-26.6176.4-26.834.9000113.8D195 L212 R336D195-P332 WeakPolarHBondContact OD1-CB 3.18Å; L212-P332 HydrophobicContact CD1-CG 3.81Å; L212-P332 HydrophobicContact CD2-CG 3.68Å; L212-P332 HydrophobicContact CG-CG 4.43Å; P332-R336 WeakPolarHBondContact O-CB 3.16Å; P332-R336 WeakPolarHBondContact O-CG 3.46Å; P332-R336 PolarHBondContact O-N 3.01Å
333N92.8Very high94.1Very high48 Ų4884.6 Ų84.626%0.25742%0.415SS..Hα-helixtrans-71.2-40.1176.4-71-59.8000112.3K192 S331 R337K192-N333 WeakPolarHBondContact CE-OD1 3.3Å; K192-N333 PolarHBondContact NZ-OD1 3.03Å; S331-N333 PolarHBondContact O-N 2.73Å; S331-N333 VanDerWaalsContact O-N 3.09Å; N333-R337 PolarHBondContact O-N 3.21Å; N333-R337 VanDerWaalsContact O-N 3.09Å
334L92.9Very high94.2Very high80 Ų8082.2 Ų82.242%0.41941%0.409SS..Hα-helixtrans-65.9-47.9175.5-167.2164.4000109.3S331 R336 R337 E338S331-L334 WeakPolarHBondContact O-CB 3.34Å; S331-L334 PolarHBondContact O-N 2.84Å; S331-L334 WeakPolarHBondContact OG-CB 3.33Å; S331-L334 PolarHBondContact OG-N 2.97Å; L334-R336 PolarHBondContact O-N 3.2Å; L334-R337 CarbonylContact O-C 3.5Å; L334-R337 WeakPolarHBondContact O-CA 3.43Å; L334-R337 VanDerWaalsContact O-CB 3.28Å; L334-R337 WeakPolarHBondContact O-CB 3.4Å; L334-R337 PolarHBondContact O-N 3.11Å; L334-E338 VanDerWaalsContact CD2-CD 3.42Å; L334-E338 HydrophobicContact CD2-CG 3.83Å; L334-E338 WeakPolarHBondContact CD2-OE1 3.49Å; L334-E338 PolarHBondContact O-N 3.36Å
335H92.8Very high94.3Very high99 Ų9981.7 Ų81.746%0.45842%0.415SS..Hα-helixtrans-58.8-43176.6-172.955000113.4S331 R337 E338 I339S331-H335 PolarHBondContact O-N 3.27Å; H335-R337 VanDerWaalsContact C-N 3.26Å; H335-R337 PolarHBondContact O-N 3.46Å; H335-E338 WeakPolarHBondContact CA-OE2 3.47Å; H335-E338 IonicContact ND1-OE2 2.79Å; H335-E338 PolarHBondContact ND1-OE2 3Å; H335-E338 PolarHBondContact O-N 2.92Å; H335-I339 WeakPolarHBondContact O-CG1 3.47Å; H335-I339 PolarHBondContact O-N 3Å
336R94.3Very high94.4Very high74 Ų7482.8 Ų82.828%0.27942%0.419SS..Hα-helixtrans-64.1-27.6172.5-72.8172.8-167.7137.611.4113.2D195 P332 L334 R340D195-R336 VanDerWaalsContact CG-NH1 3.33Å; D195-R336 IonicContact OD1-CZ 2.82Å; D195-R336 VanDerWaalsContact OD1-CZ 3.3Å; D195-R336 IonicContact OD1-NH1 2.66Å; D195-R336 PolarHBondContact OD1-NH1 2.95Å; D195-R336 VanDerWaalsContact OD1-NH1 3.1Å; D195-R336 IonicContact OD1-NH2 3.92Å; D195-R336 PolarHBondContact OD1-NH2 3.42Å; D195-R336 IonicContact OD2-CZ 2.84Å; D195-R336 IonicContact OD2-NH1 2.73Å; D195-R336 PolarHBondContact OD2-NH1 3.31Å; D195-R336 IonicContact OD2-NH2 3.04Å; P332-R336 WeakPolarHBondContact O-CB 3.16Å; P332-R336 WeakPolarHBondContact O-CG 3.46Å; P332-R336 PolarHBondContact O-N 3.01Å; L334-R336 PolarHBondContact O-N 3.2Å; R336-R340 WeakPolarHBondContact O-CD 3.45Å; R336-R340 VanDerWaalsContact O-CG 3.23Å; R336-R340 WeakPolarHBondContact O-CG 3.08Å; R336-R340 PolarHBondContact O-N 3.49Å
337R95.2Very high94.5Very high177 Ų17786.4 Ų86.467%0.66844%0.441SS*.Hα-helixtrans-73.8-46.4174-176.4-174.1177-175-1110.6N333 L334 H335 I339 R340 L341N333-R337 PolarHBondContact O-N 3.21Å; N333-R337 VanDerWaalsContact O-N 3.09Å; L334-R337 CarbonylContact O-C 3.5Å; L334-R337 WeakPolarHBondContact O-CA 3.43Å; L334-R337 VanDerWaalsContact O-CB 3.28Å; L334-R337 WeakPolarHBondContact O-CB 3.4Å; L334-R337 PolarHBondContact O-N 3.11Å; H335-R337 VanDerWaalsContact C-N 3.26Å; H335-R337 PolarHBondContact O-N 3.46Å; R337-I339 PolarHBondContact O-N 3.39Å; R337-R340 PolarHBondContact O-N 2.91Å; R337-L341 HydrophobicContact CG-CD1 4.07Å; R337-L341 HydrophobicContact CG-CG 4.45Å; R337-L341 WeakPolarHBondContact O-CG 3.43Å; R337-L341 PolarHBondContact O-N 2.84Å
338E95.5Very high94.7Very high66 Ų6688.5 Ų88.531%0.30843%0.434SS..Hα-helixtrans-54-50.9174.7-69.4168.8155.300111.1R330 L334 H335 R340 L341 A342R330-E338 IonicContact CZ-OE1 2.6Å; R330-E338 IonicContact NH1-OE1 3.86Å; R330-E338 PolarHBondContact NH1-OE1 2.85Å; R330-E338 IonicContact NH1-OE2 2.75Å; L334-E338 VanDerWaalsContact CD2-CD 3.42Å; L334-E338 HydrophobicContact CD2-CG 3.83Å; L334-E338 WeakPolarHBondContact CD2-OE1 3.49Å; L334-E338 PolarHBondContact O-N 3.36Å; H335-E338 WeakPolarHBondContact CA-OE2 3.47Å; H335-E338 IonicContact ND1-OE2 2.79Å; H335-E338 PolarHBondContact ND1-OE2 3Å; H335-E338 PolarHBondContact O-N 2.92Å; E338-R340 VanDerWaalsContact C-N 3.3Å; E338-R340 PolarHBondContact O-N 3.5Å; E338-L341 PolarHBondContact O-N 2.84Å; E338-L341 VanDerWaalsContact O-N 3.16Å; E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 2.73Å
339I96.1Very high95Very high95 Ų9589 Ų8949%0.48743%0.433SS..Hα-helixtrans-57.7-42.2178.6-68.3166.6000111.7H335 R337 A343H335-I339 WeakPolarHBondContact O-CG1 3.47Å; H335-I339 PolarHBondContact O-N 3Å; R337-I339 PolarHBondContact O-N 3.39Å; I339-A343 WeakPolarHBondContact O-CB 3.43Å; I339-A343 PolarHBondContact O-N 2.87Å
340R96.4Very high95.2Very high185 Ų18593.9 Ų93.970%0.69845%0.454SS*.Hα-helixtrans-67.9-40.5178.1-71.9170.3-171.7-1720.7112.3R336 R337 E338 A343 A344R336-R340 WeakPolarHBondContact O-CD 3.45Å; R336-R340 VanDerWaalsContact O-CG 3.23Å; R336-R340 WeakPolarHBondContact O-CG 3.08Å; R336-R340 PolarHBondContact O-N 3.49Å; R337-R340 PolarHBondContact O-N 2.91Å; E338-R340 VanDerWaalsContact C-N 3.3Å; E338-R340 PolarHBondContact O-N 3.5Å; R340-A343 PolarHBondContact O-N 3.25Å; R340-A344 WeakPolarHBondContact O-CB 3.38Å; R340-A344 PolarHBondContact O-N 3.41Å
341L96.9Very high95.4Very high103 Ų10390.8 Ų90.854%0.53945%0.447SS..Hα-helixtrans-66.2-43.3176.7-72.6174000111.3R337 E338 A343 A344 A345R337-L341 HydrophobicContact CG-CD1 4.07Å; R337-L341 HydrophobicContact CG-CG 4.45Å; R337-L341 WeakPolarHBondContact O-CG 3.43Å; R337-L341 PolarHBondContact O-N 2.84Å; E338-L341 PolarHBondContact O-N 2.84Å; E338-L341 VanDerWaalsContact O-N 3.16Å; L341-A343 PolarHBondContact O-N 2.69Å; L341-A344 PolarHBondContact O-N 2.98Å; L341-A345 WeakPolarHBondContact O-CB 3.43Å; L341-A345 PolarHBondContact O-N 3.29Å
342A96.7Very high95.6Very high51 Ų5194.7 Ų94.742%0.42146%0.463SS..Hα-helixtrans-63-40.5174.400000112.1E338 A345 K346E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 2.73Å; A342-A345 PolarHBondContact O-N 2.26Å; A342-K346 WeakPolarHBondContact O-CG 3.43Å; A342-K346 PolarHBondContact O-N 3.05Å
343A96.9Very high95.7Very high53 Ų5397.1 Ų97.144%0.43848%0.477SS..Hα-helixtrans-64.2-42.4173.700000112.1I339 R340 L341 K346 V347I339-A343 WeakPolarHBondContact O-CB 3.43Å; I339-A343 PolarHBondContact O-N 2.87Å; R340-A343 PolarHBondContact O-N 3.25Å; L341-A343 PolarHBondContact O-N 2.69Å; A343-K346 PolarHBondContact O-N 2.9Å; A343-V347 WeakPolarHBondContact O-CG2 3.06Å; A343-V347 PolarHBondContact O-N 3.02Å; A343-V347 VanDerWaalsContact O-N 3.13Å
344A97.1Very high95.9Very high48 Ų48101.2 Ų101.240%0.39749%0.493SS..Hα-helixtrans-66.2-38.717600000112.4R340 L341 V347 R348R340-A344 WeakPolarHBondContact O-CB 3.38Å; R340-A344 PolarHBondContact O-N 3.41Å; L341-A344 PolarHBondContact O-N 2.98Å; A344-V347 PolarHBondContact O-N 3.38Å; A344-R348 WeakPolarHBondContact O-CG 3.21Å; A344-R348 PolarHBondContact O-N 3.27Å
345A97.2Very high96Very high40 Ų40102.3 Ų102.333%0.33150%0.496SS..Hα-helixtrans-59.5-49.5173.600000111.4L341 A342 V347 R348 E349L341-A345 WeakPolarHBondContact O-CB 3.43Å; L341-A345 PolarHBondContact O-N 3.29Å; A342-A345 PolarHBondContact O-N 2.26Å; A345-V347 PolarHBondContact O-N 2.94Å; A345-R348 PolarHBondContact O-N 3.09Å; A345-R348 VanDerWaalsContact O-N 3.1Å; A345-E349 WeakPolarHBondContact O-CB 3.42Å; A345-E349 PolarHBondContact O-N 3Å
346K96.9Very high96Very high134 Ų134102 Ų10258%0.58350%0.496SS*.Hα-helixtrans-60.8-24.5175-71.1179.2-180-171.70113.9A342 A343 K350A342-K346 WeakPolarHBondContact O-CG 3.43Å; A342-K346 PolarHBondContact O-N 3.05Å; A343-K346 PolarHBondContact O-N 2.9Å; K346-K350 WeakPolarHBondContact O-CD 3.23Å; K346-K350 VanDerWaalsContact O-CG 3.25Å; K346-K350 WeakPolarHBondContact O-CG 3.45Å; K346-K350 PolarHBondContact O-N 2.74Å
347V96.5Very high95.9Very high84 Ų84103.4 Ų103.451%0.50951%0.506SS..Hα-helixtrans-79-44.6173.1171.50000110.9A343 A344 A345 K350 Q351A343-V347 WeakPolarHBondContact O-CG2 3.06Å; A343-V347 PolarHBondContact O-N 3.02Å; A343-V347 VanDerWaalsContact O-N 3.13Å; A344-V347 PolarHBondContact O-N 3.38Å; A345-V347 PolarHBondContact O-N 2.94Å; V347-K350 PolarHBondContact O-N 3.11Å; V347-Q351 WeakPolarHBondContact O-CG 3.39Å; V347-Q351 PolarHBondContact O-N 3.12Å; V347-Q351 VanDerWaalsContact O-N 3.07Å
348R96.4Very high95.9Very high156 Ų156101.2 Ų101.259%0.58950%0.501SS*.Hα-helixtrans-61.1-45.2176.1-70.5-171.9-63.4173.53.5112.2A344 A345 K350 Q351 M352A344-R348 WeakPolarHBondContact O-CG 3.21Å; A344-R348 PolarHBondContact O-N 3.27Å; A345-R348 PolarHBondContact O-N 3.09Å; A345-R348 VanDerWaalsContact O-N 3.1Å; R348-K350 VanDerWaalsContact C-N 3.31Å; R348-K350 PolarHBondContact O-N 2.94Å; R348-Q351 WeakPolarHBondContact O-CA 3.38Å; R348-Q351 WeakPolarHBondContact O-CB 3.25Å; R348-Q351 PolarHBondContact O-N 3.15Å; R348-M352 WeakPolarHBondContact O-CG 3.29Å; R348-M352 PolarHBondContact O-N 3.28Å
349E96.1Very high95.6Very high118 Ų118102.2 Ų102.255%0.55151%0.508SS*.Hα-helixtrans-54.6-45.4173.9-176.6-175.2-167.800111.7A345 Q351 M352 V353A345-E349 WeakPolarHBondContact O-CB 3.42Å; A345-E349 PolarHBondContact O-N 3Å; E349-Q351 VanDerWaalsContact C-N 3.26Å; E349-Q351 PolarHBondContact O-N 3.28Å; E349-M352 PolarHBondContact O-N 3.01Å; E349-V353 WeakPolarHBondContact O-CG2 3.46Å; E349-V353 PolarHBondContact O-N 3.28Å
350K95.8Very high95.3Very high142 Ų142104.5 Ų104.562%0.61751%0.514SS*.Hα-helixtrans-68.3-19.7175-73.4176.1-176.6-174.30114.5K346 V347 R348 K354K346-K350 WeakPolarHBondContact O-CD 3.23Å; K346-K350 VanDerWaalsContact O-CG 3.25Å; K346-K350 WeakPolarHBondContact O-CG 3.45Å; K346-K350 PolarHBondContact O-N 2.74Å; V347-K350 PolarHBondContact O-N 3.11Å; R348-K350 VanDerWaalsContact C-N 3.31Å; R348-K350 PolarHBondContact O-N 2.94Å; K350-K354 WeakPolarHBondContact O-CD 3.48Å; K350-K354 VanDerWaalsContact O-CG 3.25Å; K350-K354 WeakPolarHBondContact O-CG 3.47Å
351Q96.3Very high94.9Very high100 Ų100104.7 Ų104.747%0.46752%0.515SS..Hα-helixtrans-81.2-48.8172.3-69.9170.8-66.800109.8V347 R348 E349 V353 K354 E355V347-Q351 WeakPolarHBondContact O-CG 3.39Å; V347-Q351 PolarHBondContact O-N 3.12Å; V347-Q351 VanDerWaalsContact O-N 3.07Å; R348-Q351 WeakPolarHBondContact O-CA 3.38Å; R348-Q351 WeakPolarHBondContact O-CB 3.25Å; R348-Q351 PolarHBondContact O-N 3.15Å; E349-Q351 VanDerWaalsContact C-N 3.26Å; E349-Q351 PolarHBondContact O-N 3.28Å; Q351-V353 PolarHBondContact O-N 2.92Å; Q351-K354 CarbonylContact O-C 3.55Å; Q351-K354 WeakPolarHBondContact O-CA 3.34Å; Q351-K354 WeakPolarHBondContact O-CB 3.49Å; Q351-K354 PolarHBondContact O-N 3.23Å; Q351-E355 PolarHBondContact O-N 2.78Å
352M95.7Very high94.3Very high114 Ų114105 Ų10556%0.56251%0.514SS*.Hα-helixtrans-54.7-47.1174.6-68.8164.1166.400112R348 E349 K354 E355 I356R348-M352 WeakPolarHBondContact O-CG 3.29Å; R348-M352 PolarHBondContact O-N 3.28Å; E349-M352 PolarHBondContact O-N 3.01Å; M352-K354 VanDerWaalsContact C-N 3.28Å; M352-K354 PolarHBondContact O-N 2.77Å; M352-E355 PolarHBondContact O-N 3.34Å; M352-E355 VanDerWaalsContact O-N 3.14Å; M352-I356 VanDerWaalsContact O-CG1 3.29Å; M352-I356 WeakPolarHBondContact O-CG1 3.47Å; M352-I356 PolarHBondContact O-N 3.08Å
353V95.7Very high93.5Very high72 Ų72107 Ų10744%0.43652%0.517SS..Hα-helixtrans-61.2-35.6176171.30000112.1E349 Q351 Q357E349-V353 WeakPolarHBondContact O-CG2 3.46Å; E349-V353 PolarHBondContact O-N 3.28Å; Q351-V353 PolarHBondContact O-N 2.92Å; V353-Q357 WeakPolarHBondContact O-CB 3.27Å; V353-Q357 VanDerWaalsContact O-CG 3.23Å; V353-Q357 WeakPolarHBondContact O-CG 3.3Å; V353-Q357 PolarHBondContact O-N 3.32Å
354K96.1Very high92.5Very high135 Ų135108.2 Ų108.259%0.58753%0.527SS*.Hα-helixtrans-73-32.8175.7-75.7174.6-179.5-175.90112.8K350 Q351 M352 K358K350-K354 WeakPolarHBondContact O-CD 3.48Å; K350-K354 VanDerWaalsContact O-CG 3.25Å; K350-K354 WeakPolarHBondContact O-CG 3.47Å; Q351-K354 CarbonylContact O-C 3.55Å; Q351-K354 WeakPolarHBondContact O-CA 3.34Å; Q351-K354 WeakPolarHBondContact O-CB 3.49Å; Q351-K354 PolarHBondContact O-N 3.23Å; M352-K354 VanDerWaalsContact C-N 3.28Å; M352-K354 PolarHBondContact O-N 2.77Å; K354-K358 WeakPolarHBondContact O-CG 3.49Å; K354-K358 PolarHBondContact O-N 2.98Å
355E94.8Very high91.2Very high103 Ų103114.5 Ų114.548%0.48155%0.545SS..Hα-helixtrans-70.3-47175.6-75.7154.3-167.100110Q351 M352 Q357 K358 I359Q351-E355 PolarHBondContact O-N 2.78Å; M352-E355 PolarHBondContact O-N 3.34Å; M352-E355 VanDerWaalsContact O-N 3.14Å; E355-Q357 VanDerWaalsContact C-N 3.29Å; E355-Q357 PolarHBondContact O-N 3.23Å; E355-K358 WeakPolarHBondContact O-CA 3.34Å; E355-K358 WeakPolarHBondContact O-CB 3.34Å; E355-K358 PolarHBondContact O-N 3.06Å; E355-I359 WeakPolarHBondContact O-CG1 3.48Å; E355-I359 PolarHBondContact O-N 2.9Å
356I94.4Very high89.5Confident92 Ų92119.3 Ų119.347%0.47256%0.561SS.*Hα-helixtrans-57.1-41.3171.4-65162.7000111.2M352 K358 I359 K360M352-I356 VanDerWaalsContact O-CG1 3.29Å; M352-I356 WeakPolarHBondContact O-CG1 3.47Å; M352-I356 PolarHBondContact O-N 3.08Å; I356-K358 VanDerWaalsContact C-N 3.31Å; I356-K358 PolarHBondContact O-N 3.21Å; I356-I359 PolarHBondContact O-N 2.83Å; I356-K360 HydrophobicContact CG2-CD 4.34Å; I356-K360 WeakPolarHBondContact O-CB 3.11Å; I356-K360 WeakPolarHBondContact O-CG 3.44Å; I356-K360 PolarHBondContact O-N 2.89Å
357Q91.9Very high87.9Confident103 Ų103122 Ų12248%0.48158%0.576SS.*Hα-helixtrans-69.2-23.3174.9-78.3177.4-0.500114.3V353 E355 R361V353-Q357 WeakPolarHBondContact O-CB 3.27Å; V353-Q357 VanDerWaalsContact O-CG 3.23Å; V353-Q357 WeakPolarHBondContact O-CG 3.3Å; V353-Q357 PolarHBondContact O-N 3.32Å; E355-Q357 VanDerWaalsContact C-N 3.29Å; E355-Q357 PolarHBondContact O-N 3.23Å; Q357-R361 WeakPolarHBondContact O-CD 3.27Å; Q357-R361 WeakPolarHBondContact O-CG 3.36Å
358K93.6Very high86.2Confident132 Ų132125 Ų12557%0.57459%0.588SS**Hα-helixtrans-78-47.7172.1-77.5172175.7-174.20110.5K354 E355 I356 R361 Q362K354-K358 WeakPolarHBondContact O-CG 3.49Å; K354-K358 PolarHBondContact O-N 2.98Å; E355-K358 WeakPolarHBondContact O-CA 3.34Å; E355-K358 WeakPolarHBondContact O-CB 3.34Å; E355-K358 PolarHBondContact O-N 3.06Å; I356-K358 VanDerWaalsContact C-N 3.31Å; I356-K358 PolarHBondContact O-N 3.21Å; K358-R361 CarbonylContact O-C 3.53Å; K358-R361 WeakPolarHBondContact O-CA 3.09Å; K358-R361 WeakPolarHBondContact O-CB 3.37Å; K358-R361 PolarHBondContact O-N 3.16Å; K358-Q362 WeakPolarHBondContact O-CG 3.43Å; K358-Q362 PolarHBondContact O-N 3.36Å
359I91.1Very high84.6Confident87 Ų87124.9 Ų124.945%0.44660%0.599SS.*Hα-helixtrans-54.3-56.1176.5-67.1163.4000108.7E355 I356 R361 Q362 D363E355-I359 WeakPolarHBondContact O-CG1 3.48Å; E355-I359 PolarHBondContact O-N 2.9Å; I356-I359 PolarHBondContact O-N 2.83Å; I359-R361 PolarHBondContact O-N 3.44Å; I359-Q362 CarbonylContact O-C 3.53Å; I359-Q362 WeakPolarHBondContact O-CA 3.13Å; I359-Q362 WeakPolarHBondContact O-CB 3.29Å; I359-Q362 PolarHBondContact O-N 3.49Å; I359-D363 WeakPolarHBondContact CG2-OD1 3.38Å; I359-D363 VanDerWaalsContact CG2-OD2 3.31Å; I359-D363 WeakPolarHBondContact CG2-OD2 3.4Å; I359-D363 PolarHBondContact O-N 3.05Å
360K89.4Confident83.1Confident143 Ų143126.1 Ų126.162%0.62261%0.609SS**Hα-helixtrans-56.6-17.4174.3-71.4-171174.9-159.30116.4I356 A364I356-K360 HydrophobicContact CG2-CD 4.34Å; I356-K360 WeakPolarHBondContact O-CB 3.11Å; I356-K360 WeakPolarHBondContact O-CG 3.44Å; I356-K360 PolarHBondContact O-N 2.89Å; K360-A364 WeakPolarHBondContact O-CB 3.19Å; K360-A364 PolarHBondContact O-N 2.82Å
361R86.9Confident81.9Confident189 Ų189124.3 Ų124.371%0.71361%0.606SS**Hα-helixtrans-95.1-18173.5-75.3173.7-178.4-162.6-0.2113.2Q357 K358 I359 K365Q357-R361 WeakPolarHBondContact O-CD 3.27Å; Q357-R361 WeakPolarHBondContact O-CG 3.36Å; K358-R361 CarbonylContact O-C 3.53Å; K358-R361 WeakPolarHBondContact O-CA 3.09Å; K358-R361 WeakPolarHBondContact O-CB 3.37Å; K358-R361 PolarHBondContact O-N 3.16Å; I359-R361 PolarHBondContact O-N 3.44Å; R361-K365 WeakPolarHBondContact O-CB 3.43Å
362Q84.4Confident80.6Confident109 Ų109126 Ų12651%0.50962%0.623SS.*Hα-helixtrans-82.5-50169.5-66.7173.1-97.900108.3K358 I359 A364 K365 E366K358-Q362 WeakPolarHBondContact O-CG 3.43Å; K358-Q362 PolarHBondContact O-N 3.36Å; I359-Q362 CarbonylContact O-C 3.53Å; I359-Q362 WeakPolarHBondContact O-CA 3.13Å; I359-Q362 WeakPolarHBondContact O-CB 3.29Å; I359-Q362 PolarHBondContact O-N 3.49Å; Q362-A364 PolarHBondContact O-N 2.98Å; Q362-K365 WeakPolarHBondContact O-CA 3.4Å; Q362-K365 WeakPolarHBondContact O-CB 3.19Å; Q362-K365 PolarHBondContact O-N 3.42Å; Q362-E366 PolarHBondContact O-N 2.85Å
363D80.7Confident79.2Confident93 Ų93124.4 Ų124.450%0.49762%0.62SS.*THydrogen-bonded Turntrans-57.2-31.7174.6-44.1-17.1000113I359I359-D363 WeakPolarHBondContact CG2-OD1 3.38Å; I359-D363 VanDerWaalsContact CG2-OD2 3.31Å; I359-D363 WeakPolarHBondContact CG2-OD2 3.4Å; I359-D363 PolarHBondContact O-N 3.05Å
364A74.9Confident77.6Confident78 Ų78124 Ų12465%0.64562%0.624SS**THydrogen-bonded Turntrans-94.69.9176.200000113.8K360 Q362K360-A364 WeakPolarHBondContact O-CB 3.19Å; K360-A364 PolarHBondContact O-N 2.82Å; Q362-A364 PolarHBondContact O-N 2.98Å
365K69.7Low76.1Confident180 Ų180124.2 Ų124.278%0.78363%0.632SS**THydrogen-bonded Turntrans-113.6-33.4172.7-171.8-166.5174.7-154.40110.6R361 Q362R361-K365 WeakPolarHBondContact O-CB 3.43Å; Q362-K365 WeakPolarHBondContact O-CA 3.4Å; Q362-K365 WeakPolarHBondContact O-CB 3.19Å; Q362-K365 PolarHBondContact O-N 3.42Å
366E62.6Low74.6Confident141 Ų141124.2 Ų124.266%0.65964%0.638SS**SBendtrans-67.4146.3154.5-69.4164.8-157.600107.5Q362Q362-E366 PolarHBondContact O-N 2.85Å
367E62.2Low73.1Confident191 Ų191128 Ų12889%0.89365%0.652SS**  trans58.263.1-171.3-60.5-172.6175.900116.5
368I61.1Low71.8Confident147 Ų147128 Ų12875%0.75466%0.659SS**  -107.5106.7123.1-57.6175.6000104.7N370I368-N370 PolarHBondContact O-N 2.74Å
369D64.1Low70.6Confident154 Ų154127.2 Ų127.282%0.82467%0.665SS**  trans-60.5132.8170.7-158.69.8000107.6D371D369-D371 PolarHBondContact O-N 3.25Å
370N64.8Low69.3Low143 Ų143129 Ų12977%0.76568%0.682SS**  trans-66.1111.4-172.9-73.5-54.8000108.3I368 V372I368-N370 PolarHBondContact O-N 2.74Å; N370-V372 PolarHBondContact O-N 3.24Å
371D69.4Low68Low104 Ų104127.9 Ų127.956%0.55668%0.683SS**  trans-54112.4-179.7-178.1-11.1000109.5D369 T373 A374D369-D371 PolarHBondContact O-N 3.25Å; D371-T373 PolarHBondContact O-N 2.54Å; D371-T373 WeakPolarHBondContact OD1-CB 3.22Å; D371-T373 PolarHBondContact OD1-N 2.85Å; D371-T373 PolarHBondContact OD1-OG1 3.03Å; D371-T373 PolarHBondContact OD2-OG1 2.93Å; D371-A374 WeakPolarHBondContact O-CB 3.33Å; D371-A374 PolarHBondContact O-N 2.95Å
372V68.8Low67Low137 Ų137127.5 Ų127.583%0.8369%0.689SS**THydrogen-bonded Turntrans-61.5-18-177-173.50000111.4N370N370-V372 PolarHBondContact O-N 3.24Å
373T66.2Low65.9Low79 Ų79134 Ų13449%0.48571%0.709SS.*THydrogen-bonded Turntrans-91.50175.366.40000114.7D371 D375 V376D371-T373 PolarHBondContact O-N 2.54Å; D371-T373 WeakPolarHBondContact OD1-CB 3.22Å; D371-T373 PolarHBondContact OD1-N 2.85Å; D371-T373 PolarHBondContact OD1-OG1 3.03Å; D371-T373 PolarHBondContact OD2-OG1 2.93Å; T373-D375 PolarHBondContact O-N 2.88Å; T373-V376 WeakPolarHBondContact O-CB 3.46Å; T373-V376 WeakPolarHBondContact O-CG2 3.49Å; T373-V376 PolarHBondContact O-N 3.33Å
374A63.5Low65.2Low64 Ų64137 Ų13753%0.52972%0.718SS.*G310 helixtrans-59.1-31.6178.300000113.4D371 V376D371-A374 WeakPolarHBondContact O-CB 3.33Å; D371-A374 PolarHBondContact O-N 2.95Å; A374-V376 VanDerWaalsContact C-N 3.29Å; A374-V376 PolarHBondContact O-N 2.81Å
375D64.4Low64.6Low140 Ų140138.6 Ų138.675%0.74972%0.722SS**G310 helixtrans-75.4-12.9178.3-71.3-26.3000113.6T373 F377T373-D375 PolarHBondContact O-N 2.88Å; D375-F377 VanDerWaalsContact C-N 3.33Å; D375-F377 PolarHBondContact O-N 3.2Å
376V63.6Low64.2Low103 Ų103137 Ų13762%0.62473%0.727SS**G310 helixtrans-74.4-23.1-175.2-178.90000112.5T373 A374T373-V376 WeakPolarHBondContact O-CB 3.46Å; T373-V376 WeakPolarHBondContact O-CG2 3.49Å; T373-V376 PolarHBondContact O-N 3.33Å; A374-V376 VanDerWaalsContact C-N 3.29Å; A374-V376 PolarHBondContact O-N 2.81Å
377F61Low64.1Low170 Ų170137.6 Ų137.675%0.74673%0.729SS**G310 helixtrans-109.222.1-176.4-69.4-78.1000114.2D375 T379D375-F377 VanDerWaalsContact C-N 3.33Å; D375-F377 PolarHBondContact O-N 3.2Å; F377-T379 VanDerWaalsContact C-N 3.26Å; F377-T379 PolarHBondContact O-N 2.79Å
378V65.4Low64.1Low104 Ų104135.2 Ų135.263%0.6372%0.721SS**  trans-74.179.8172.7-172.90000110P380V378-P380 WeakPolarHBondContact O-CD 3.47Å
379T67.6Low64.2Low116 Ų116135.5 Ų135.571%0.71272%0.719SS**  trans-58.9126.9164.1440000109.1F377 D381F377-T379 VanDerWaalsContact C-N 3.26Å; F377-T379 PolarHBondContact O-N 2.79Å; T379-D381 PolarHBondContact O-N 2.87Å
380P65.3Low64.2Low123 Ų123134.9 Ų134.980%0.79972%0.721SS**  trans-61.2111.2176.5-22.933.8000110.6V378 E382V378-P380 WeakPolarHBondContact O-CD 3.47Å; P380-E382 PolarHBondContact O-N 2.88Å
381D62.1Low64.3Low121 Ų121136.1 Ų136.165%0.64772%0.722SS**  trans-55.8120.3171.8-12020.3000108.3T379 R383 K384T379-D381 PolarHBondContact O-N 2.87Å; D381-R383 PolarHBondContact O-N 2.88Å; D381-K384 IonicContact OD2-NZ 3.99Å; D381-K384 PolarHBondContact OD2-NZ 3.18Å
382E65.2Low64.4Low180 Ų180136.6 Ų136.684%0.84173%0.731SS**  trans-54137.4175-71.3-172.2158.100109.8P380 K384P380-E382 PolarHBondContact O-N 2.88Å; E382-K384 PolarHBondContact O-N 2.89Å
383R61.1Low64.6Low247 Ų247136 Ų13693%0.93273%0.73SS**  trans-56.998.3-175.5-75.4-177.7175.9177.3-0.8110.7D381D381-R383 PolarHBondContact O-N 2.88Å
384K65.5Low65Low155 Ų155136.2 Ų136.267%0.67474%0.74SS**  trans-52.6127.3171.7-73.3165.2-179.1138.40108.2D381 E382 V386D381-K384 IonicContact OD2-NZ 3.99Å; D381-K384 PolarHBondContact OD2-NZ 3.18Å; E382-K384 PolarHBondContact O-N 2.89Å; K384-V386 PolarHBondContact O-N 3.2Å
385P62.5Low65.4Low112 Ų112138.9 Ų138.973%0.72775%0.752SS**  trans-60.3138.2-172.322.1-32.8000111H387P385-H387 PolarHBondContact O-N 3.16Å
386V61.2Low65.6Low147 Ų147141.7 Ų141.789%0.89176%0.758SS**SBendtrans-63.1-14.8-171.1-1750000113K384 I388K384-V386 PolarHBondContact O-N 3.2Å; V386-I388 VanDerWaalsContact C-N 3.33Å; V386-I388 PolarHBondContact O-N 2.8Å
387H60.5Low65.7Low152 Ų152143.2 Ų143.270%0.70477%0.767SS**  trans-79.278177.5-162.573.4000112.2P385 Q389P385-H387 PolarHBondContact O-N 3.16Å; H387-Q389 PolarHBondContact O-N 3.32Å
388I64Low65.8Low141 Ų141141 Ų14172%0.72377%0.767SS**  trans-66.5110.7164.5-58.6170.6000107.4V386 T390V386-I388 VanDerWaalsContact C-N 3.33Å; V386-I388 PolarHBondContact O-N 2.8Å; I388-T390 PolarHBondContact O-N 3.07Å; I388-T390 VanDerWaalsContact O-N 3.14Å
389Q62.1Low65.7Low154 Ų154145.4 Ų145.472%0.7278%0.778SS**  trans-62.4115.7169.5-72.3-179.7-6.700109H387 E391H387-Q389 PolarHBondContact O-N 3.32Å; Q389-E391 PolarHBondContact O-N 3.19Å
390T63.6Low65.3Low141 Ų141149.1 Ų149.187%0.86578%0.784SS**  trans-75.92.5-175.4-11.60000113.8I388I388-T390 PolarHBondContact O-N 3.07Å; I388-T390 VanDerWaalsContact O-N 3.14Å
391E66.9Low65.1Low168 Ų168149 Ų14979%0.78578%0.776SS**SBendtrans-79124.3178-64.1-162.1163.500110.7Q389Q389-E391 PolarHBondContact O-N 3.19Å
392P72.3Confident65Low115 Ų115152 Ų15275%0.74778%0.784SS**PPolyproline II helixtrans-64129.1176.826.1-32.9000109.3A394P392-A394 PolarHBondContact O-N 3Å
393P72.3Confident64.9Low123 Ų123150.9 Ų150.980%0.79978%0.778SS**PPolyproline II helixtrans-58.3132.8-178.523.3-33.7000109.9
394A74.3Confident64.9Low85 Ų85147 Ų14770%0.70277%0.768SS**PPolyproline II helixtrans-46.8130.5-175.300000110.8P392 K396P392-A394 PolarHBondContact O-N 3Å; A394-K396 PolarHBondContact O-N 3.49Å
395P72Confident64.9Low120 Ų120142.5 Ų142.578%0.77976%0.76SS**  trans-59.5109.8-168.221.9-33.3000110.1V397P395-V397 PolarHBondContact O-N 3.43Å
396K69.6Low65.1Low199 Ų199144 Ų14487%0.86576%0.755SS**  trans-49.1117.2-179.6-75.1-175.6178.8177.70108.5A394 V398A394-K396 PolarHBondContact O-N 3.49Å; K396-V398 VanDerWaalsContact C-N 3.35Å; K396-V398 PolarHBondContact O-N 3.45Å
397V65Low65.5Low134 Ų134144.5 Ų144.581%0.81275%0.745SS**  trans-61.399.7-178.8-179.20000108P395 K399P395-V397 PolarHBondContact O-N 3.43Å; V397-K399 PolarHBondContact O-N 3.01Å
398V64Low65.9Low125 Ų125146.6 Ų146.676%0.75875%0.747SS**  trans-59.6105.1174.7179.40000106.1K396 K400K396-V398 VanDerWaalsContact C-N 3.35Å; K396-V398 PolarHBondContact O-N 3.45Å; V398-K400 VanDerWaalsContact C-N 3.29Å; V398-K400 PolarHBondContact O-N 2.97Å
399K62.9Low66.4Low196 Ų196144.8 Ų144.885%0.85274%0.736SS**  trans-55.497175.7-73.8-177.7179.2176.10107.1V397 N401V397-K399 PolarHBondContact O-N 3.01Å; K399-N401 PolarHBondContact O-N 2.85Å
400K59.9Low66.9Low193 Ų193147 Ų14784%0.83974%0.737SS**  trans-55.4111.3-177.4-78.2176.6-178.9165.80106.7V398 K402V398-K400 VanDerWaalsContact C-N 3.29Å; V398-K400 PolarHBondContact O-N 2.97Å; K400-K402 PolarHBondContact O-N 3.06Å
401N60.3Low67.4Low120 Ų120146.4 Ų146.464%0.64273%0.726SS**  trans-53107.1-167.9-150-17.8000109.2K399 H403 K404K399-N401 PolarHBondContact O-N 2.85Å; N401-H403 PolarHBondContact O-N 2.86Å; N401-K404 PolarHBondContact O-N 3.21Å
402K60.6Low67.7Low184 Ų184145 Ų14580%0.872%0.72SS**Hα-helixtrans-54.8-32.5-161.3-72.8-174.6176.6-177.30112.2K400 K404 A405 F406K400-K402 PolarHBondContact O-N 3.06Å; K402-K404 VanDerWaalsContact C-N 3.28Å; K402-K404 PolarHBondContact O-N 2.83Å; K402-A405 PolarHBondContact O-N 3.26Å; K402-A405 VanDerWaalsContact O-N 3.08Å; K402-F406 PolarHBondContact O-N 2.98Å; K402-F406 VanDerWaalsContact O-N 3.16Å
403H61.9Low67.6Low157 Ų157149.4 Ų149.473%0.72772%0.721SS**Hα-helixtrans-51.3-36171.7-98.4-54.4000115.5N401 K407N401-H403 PolarHBondContact O-N 2.86Å; H403-K407 VanDerWaalsContact O-CB 3.3Å; H403-K407 WeakPolarHBondContact O-CB 3.35Å; H403-K407 PolarHBondContact O-N 3.49Å
404K62.2Low67.3Low166 Ų166146.8 Ų146.872%0.72272%0.717SS**Hα-helixtrans-74.2-28.2179.2-76.6-175.1178.1176.50112.8N401 K402 R408N401-K404 PolarHBondContact O-N 3.21Å; K402-K404 VanDerWaalsContact C-N 3.28Å; K402-K404 PolarHBondContact O-N 2.83Å; K404-R408 PolarHBondContact O-N 2.92Å
405A64.6Low66.7Low60 Ų60153.3 Ų153.350%0.49672%0.724SS.*Hα-helixtrans-72.4-51.9173.600000110.3K402 K407 R408 E409K402-A405 PolarHBondContact O-N 3.26Å; K402-A405 VanDerWaalsContact O-N 3.08Å; A405-K407 VanDerWaalsContact C-N 3.27Å; A405-K407 PolarHBondContact O-N 3.14Å; A405-R408 WeakPolarHBondContact O-CA 3.43Å; A405-R408 WeakPolarHBondContact O-CB 3.09Å; A405-R408 PolarHBondContact O-N 3.39Å; A405-E409 PolarHBondContact O-N 3.45Å
406F67.3Low65.7Low145 Ų145161.9 Ų161.964%0.63674%0.74SS**Hα-helixtrans-58.2-37.5178.8-153.5-94.7000112.6K402 R408 E409 R410K402-F406 PolarHBondContact O-N 2.98Å; K402-F406 VanDerWaalsContact O-N 3.16Å; F406-R408 VanDerWaalsContact C-N 3.32Å; F406-R408 PolarHBondContact O-N 2.69Å; F406-E409 PolarHBondContact O-N 3.14Å; F406-R410 WeakPolarHBondContact O-CB 3.23Å; F406-R410 PolarHBondContact O-N 3.24Å
407K70.6Confident65.5Low157 Ų157160 Ų16068%0.68373%0.734SS**Hα-helixtrans-66.7-28.4174.4-168.2169.4-175171.90113.2H403 A405 M411H403-K407 VanDerWaalsContact O-CB 3.3Å; H403-K407 WeakPolarHBondContact O-CB 3.35Å; H403-K407 PolarHBondContact O-N 3.49Å; A405-K407 VanDerWaalsContact C-N 3.27Å; A405-K407 PolarHBondContact O-N 3.14Å; K407-M411 WeakPolarHBondContact O-CB 3.38Å; K407-M411 WeakPolarHBondContact O-CG 3.24Å; K407-M411 PolarHBondContact O-N 3.25Å
408R68.8Low65.5Low195 Ų195161.4 Ų161.474%0.73673%0.73SS**Hα-helixtrans-75.9-44173.4-83.6-176.8169.2-176.6-3.3111.9K404 A405 F406 R410 M411 Q412K404-R408 PolarHBondContact O-N 2.92Å; A405-R408 WeakPolarHBondContact O-CA 3.43Å; A405-R408 WeakPolarHBondContact O-CB 3.09Å; A405-R408 PolarHBondContact O-N 3.39Å; F406-R408 VanDerWaalsContact C-N 3.32Å; F406-R408 PolarHBondContact O-N 2.69Å; R408-R410 PolarHBondContact O-N 3.07Å; R408-M411 CarbonylContact O-C 3.59Å; R408-M411 WeakPolarHBondContact O-CB 3.3Å; R408-M411 PolarHBondContact O-N 3.3Å; R408-Q412 PolarHBondContact O-N 2.86Å
409E74.6Confident65.6Low104 Ų104163.4 Ų163.449%0.48673%0.729SS.*Hα-helixtrans-60.2-45.3175-81-177.5108.200112.1A405 F406 M411 Q412 R413A405-E409 PolarHBondContact O-N 3.45Å; F406-E409 PolarHBondContact O-N 3.14Å; E409-M411 VanDerWaalsContact C-N 3.26Å; E409-M411 PolarHBondContact O-N 3.43Å; E409-Q412 PolarHBondContact O-N 2.81Å; E409-R413 PolarHBondContact O-N 3.05Å
410R72.6Confident65.8Low199 Ų199161.5 Ų161.575%0.75172%0.721SS**Hα-helixtrans-59.4-37.7175.9-171.2173.7176.5177.6-0.6112.3F406 R408 Q412 G414F406-R410 WeakPolarHBondContact O-CB 3.23Å; F406-R410 PolarHBondContact O-N 3.24Å; R408-R410 PolarHBondContact O-N 3.07Å; R410-Q412 VanDerWaalsContact C-N 3.34Å; R410-G414 PolarHBondContact O-N 2.96Å; R410-G414 VanDerWaalsContact O-N 3.07Å
411M72.6Confident66.1Low130 Ų130159.5 Ų159.564%0.6471%0.714SS**Hα-helixtrans-72.5-21.6174.6-72.7-86.2-69.400113.9K407 R408 E409 R415K407-M411 WeakPolarHBondContact O-CB 3.38Å; K407-M411 WeakPolarHBondContact O-CG 3.24Å; K407-M411 PolarHBondContact O-N 3.25Å; R408-M411 CarbonylContact O-C 3.59Å; R408-M411 WeakPolarHBondContact O-CB 3.3Å; R408-M411 PolarHBondContact O-N 3.3Å; E409-M411 VanDerWaalsContact C-N 3.26Å; E409-M411 PolarHBondContact O-N 3.43Å; M411-R415 WeakPolarHBondContact O-CB 3.34Å
412Q73.8Confident66.5Low139 Ų139162.1 Ų162.165%0.6572%0.719SS**Hα-helixtrans-86-37.6173.2-79.2177.2-6400112.1R408 E409 R410 R415R408-Q412 PolarHBondContact O-N 2.86Å; E409-Q412 PolarHBondContact O-N 2.81Å; R410-Q412 VanDerWaalsContact C-N 3.34Å; Q412-R415 PolarHBondContact O-N 3.04Å
413R70.5Confident67Low206 Ų206160.6 Ų160.678%0.77771%0.713SS**Hα-helixtrans-64.7-41.7172.6-73.5-169.4-179.9-163.30.9112E409 R415 R416E409-R413 PolarHBondContact O-N 3.05Å; R413-R415 PolarHBondContact O-N 2.79Å; R413-R416 PolarHBondContact O-N 3.08Å
414G66.6Low67.4Low69 Ų69160.8 Ų160.871%0.71171%0.712SS**THydrogen-bonded Turntrans-74.918.8173.100000115.3R410R410-G414 PolarHBondContact O-N 2.96Å; R410-G414 VanDerWaalsContact O-N 3.07Å
415R60.8Low67.8Low222 Ų222160.4 Ų160.484%0.83871%0.711SS**THydrogen-bonded Turntrans-130.62.9179.7-108.6-177.9163.8-167.5-6.9113.3M411 Q412 R413M411-R415 WeakPolarHBondContact O-CB 3.34Å; Q412-R415 PolarHBondContact O-N 3.04Å; R413-R415 PolarHBondContact O-N 2.79Å
416R50.8Low68.1Low299 Ų299169.5 Ų169.5100%1.12873%0.731SS**  trans-97.50164.2-81.5-172.8168.1-172.3-4.2108.7R413R413-R416 PolarHBondContact O-N 3.08Å

Retrieved 416 of 416 residues in 697.4 ms (Link to these results)