G4VNH9_SCHMA Loading...

Putative splicing factor

AlphaFold DB , UniProt , Accession G4VNH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 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
1M41.4Very low50.5Low237 Ų237159.9 Ų159.9100%1.16787%0.866SS**  0116.70-78.8175.5172.800106
2T46.2Very low50Low126 Ų126162.7 Ų162.777%0.77387%0.869SS**  trans64.382.7160.646.30000118.9
3D46.5Very low49.3Very low140 Ų140162.3 Ų162.375%0.74987%0.867SS**  37107.7116.4-50.1-49.2000120.4I5D3-I5 HydrophobicContact CB-CD1 4.49Å; D3-I5 HydrophobicContact CB-CG1 4.41Å
4D51.3Low49Very low170 Ų170163.9 Ų163.991%0.90987%0.866SS**  trans-96.2123.4146.3-75.8-61.8000107.6
5I65.4Low48.6Very low141 Ų141168.8 Ų168.872%0.72387%0.871SS**  trans-113.6117-179.9-69.4168.3000109.5D3D3-I5 HydrophobicContact CB-CD1 4.49Å; D3-I5 HydrophobicContact CB-CG1 4.41Å
6D57Low48.2Very low156 Ų156164.6 Ų164.683%0.83487%0.868SS**  trans-69.2122.8170.7-69.4-55.5000111.5E8D6-E8 PolarHBondContact O-N 2.85Å
7V55.8Low47.9Very low148 Ų148169.3 Ų169.390%0.89787%0.872SS**  trans-95.471177.2-173.10000108.9
8E48.8Very low47.9Very low187 Ų187170.3 Ų170.387%0.87487%0.872SS**  trans-132.756.3176.3-164.1153.9-162.800110.8D6D6-E8 PolarHBondContact O-N 2.85Å
9A42.8Very low47.2Very low93 Ų93164.7 Ų164.777%0.76986%0.861SS**  trans-165.487.4170.400000111.7
10M46.2Very low47Very low191 Ų191167.4 Ų167.494%0.94186%0.86SS**SBendtrans-154.112.1164.3-97.7-143.3169.300116.9
11L53.7Low46.7Very low170 Ų170163.9 Ų163.989%0.8985%0.851SS**SBendtrans-14165.4179.7-85.3165.4000112.4
12E45Very low46.7Very low193 Ų193161.7 Ų161.790%0.90284%0.835SS**  trans-164.686.3163.5-114.2157.9-164.200110.2
13D41.4Very low46.3Very low158 Ų158160 Ų16085%0.84583%0.829SS**  trans-153.893164.4-120.9-20.8000110
14H44.6Very low46Very low184 Ų184161.3 Ų161.385%0.85284%0.835SS**  trans-175.394.5152.9-98.9-69000106.9
15Y43.6Very low45.5Very low238 Ų238156 Ų15693%0.93382%0.821SS**  trans163.582.9145.8-94.3-71.6000110.1
16A42.1Very low44.4Very low101 Ų101157.3 Ų157.384%0.83582%0.823SS**  trans-160.8100.5157.400000111.7
17R41.8Very low43.7Very low245 Ų245159.8 Ų159.893%0.92582%0.821SS**  trans-165.4108.9149.4-131.7175.9-179.3177.9-0110.9
18E48.2Very low42.9Very low188 Ų188164.1 Ų164.188%0.87982%0.822SS**  171.2126.7118.3-90.4-167.9170.600109.5
19G36Very low42.3Very low64 Ų64167.3 Ų167.366%0.6683%0.826SS**  trans-110.5154.1-175.600000112.5
20Y41.9Very low42Very low217 Ų217166.2 Ų166.285%0.85182%0.823SS**  trans-146.3118160.9-90.3-82.2000110.5
21S41.8Very low41.5Very low95 Ų95168.6 Ų168.666%0.66482%0.822SS**  trans23.7146.3138.763.90000120.5
22K40.8Very low40.6Very low190 Ų190165.9 Ų165.983%0.82682%0.817SS**  cis-176.8133.931.3-130.4165.4-175.1176.50110.2
23S38.5Very low40.3Very low92 Ų92168 Ų16864%0.64382%0.817SS**  trans38144.4138.465.80000126.1
24N40Very low40Very low167 Ų167165.7 Ų165.789%0.89381%0.813SS**  trans88.7129.6153.9-66.4-13.3000117.2
25G39.9Very low39.9Very low59 Ų59168.1 Ų168.161%0.60882%0.815SS**  cis163156.73.400000110.1
26H43.5Very low39.7Very low167 Ų167164.1 Ų164.177%0.77381%0.81SS**  trans74.3144.4162.9-60.6-42.6000118.2
27R41Very low39.6Very low209 Ų209170.6 Ų170.679%0.78981%0.813SS**  cis-167.6133.31.3-109.9164.8-167.8-179.21.6109.4
28R39.4Very low39.6Very low239 Ų239163.2 Ų163.290%0.90280%0.799SS**  trans6.7137.4146.1-60.1-176.2174.3-175.3-1.6122.4
29R37Very low39.4Very low254 Ų254165 Ų16596%0.95880%0.797SS**  trans144122.7130.9-85.1174168.7167.1-2.8108.4
30G35Very low39.6Very low70 Ų70172.9 Ų172.972%0.72281%0.807SS**  cis103.393.126.100000109.9
31R36.5Very low39.6Very low240 Ų240170.8 Ų170.891%0.90680%0.804SS**  trans-177.4117.3147.2-109.5169.2178166.90113.6
32S35.1Very low39.5Very low114 Ų114175 Ų17580%0.79781%0.811SS**  trans-70.5149.2162.634.30000112
33R39Very low39.3Very low237 Ų237171.1 Ų171.189%0.89481%0.808SS**  trans-162.7108.2154.6-110.7167.8-174168.31111.6
34S35.2Very low39.3Very low110 Ų110177.5 Ų177.577%0.76982%0.818SS**  trans-66.7148.9161.3430000111.3
35R40.8Very low39.2Very low235 Ų235174.9 Ų174.989%0.88781%0.812SS**  trans-161.7103.1156.6-116172-174.8171.61.3112
36D39.3Very low39.2Very low154 Ų154183.8 Ų183.882%0.82483%0.828SS**  trans-50.4139.4153.5-75.8-68000112
37R41.8Very low39Very low237 Ų237181.1 Ų181.189%0.89483%0.828SS**  trans-142.9119.4147.9-83.8-165.5174.4154.8-3.5111
38S40.8Very low39.1Very low90 Ų90180.3 Ų180.363%0.62983%0.83SS**  trans-97.2165.7-179.455.20000111.6
39R43.5Very low39.2Very low224 Ų224175.5 Ų175.585%0.84582%0.817SS**  trans77.9120.9157.1-57.1166-178.8171.60117
40R39.9Very low39.3Very low230 Ų230171.6 Ų171.687%0.86880%0.803SS**  177.3123.286.5-131.5163.6-178.1179.3-0.3113.9
41H43.1Very low39.8Very low173 Ų173177.8 Ų177.880%0.80180%0.804SS**  trans9.2139.7146-53.9-79.1000120.8
42K40Very low39.8Very low185 Ų185176.6 Ų176.680%0.80480%0.8SS**  -173.6120.697.4-149.8145.9-179.3174.10113.1
43S36.6Very low40.3Very low108 Ų108176.5 Ų176.576%0.75579%0.79SS**  trans-78.2144.8163.6420000110.8
44R38.4Very low40.6Very low226 Ų226172.9 Ų172.985%0.85378%0.781SS**  trans-171.4109.6145.8-108.3167-175172.81.3112.2
45S37.5Very low40.9Very low111 Ų111175.2 Ų175.278%0.77679%0.785SS**  trans-52.8141.3155.647.80000112.6
46R39.8Very low41.2Very low247 Ų247173 Ų17393%0.93278%0.784SS**  trans-171.6128.3138.2-107.3166.3-175.1-178.70.7113
47S40.1Very low41.6Very low111 Ų111174.1 Ų174.178%0.77678%0.784SS**  trans-59.5147.2171.2-5.70000113.7
48K43.2Very low41.8Very low192 Ų192167.5 Ų167.584%0.83578%0.775SS**  trans163.4109.4135.8-95.2171.1174.3178.70108.5
49E41.7Very low42.1Very low137 Ų137170.5 Ų170.564%0.6478%0.784SS**  60.1121.591.9-112.3-160.514600114.3
50R39Very low42Very low172 Ų172171.9 Ų171.965%0.64979%0.789SS**  trans97.2120.5141.7-68.1173.7-173.4-174.67.6119.6
51R43.7Very low42.1Very low200 Ų200164.4 Ų164.476%0.75578%0.783SS**  trans92.5110.9137.3-69.9165.1-174.2-166.60.4115.3
52R37.8Very low42.1Very low216 Ų216165.9 Ų165.982%0.81578%0.781SS**  69.4124.8103.4-87.1-171.3174169.4-1.9110
53D45.5Very low42.3Very low111 Ų111166.3 Ų166.359%0.59478%0.778SS**  cis-176.5158.735.1-108.7-29000107.7
54K44.7Very low42.7Very low162 Ų162166.7 Ų166.770%0.70477%0.768SS**  trans70.7112.1139.3-75.4172.5-170.6176.80119.2
55N42.9Very low42.8Very low159 Ų159164.4 Ų164.485%0.8576%0.759SS**  -178146.278.5-88.4-41.1000112.8
56H46Very low43Very low188 Ų188168.9 Ų168.987%0.8776%0.759SS**  trans-97.9145.8-167.9-145.943.1000110.4
57E48.4Very low43.1Very low177 Ų177165.6 Ų165.683%0.82775%0.754SS**  trans-74.4138.9170-83.7-177.2130.200111.8
58S44.9Very low43.1Very low98 Ų98165.3 Ų165.369%0.68575%0.752SS**  trans62.3111.713954.50000122.7
59D47.9Very low43.3Very low153 Ų153160.1 Ų160.182%0.81874%0.74SS**  65.9105.5125.4-79.9-42.3000121.1
60R41.4Very low43.3Very low254 Ų254164.2 Ų164.296%0.95875%0.749SS**  -170.7114.8116.2-99163.7-170.6164.44.3110.1
61G42.2Very low43.7Very low72 Ų72161.4 Ų161.474%0.74275%0.747SS**  trans146.794.8154.600000117.6
62R43Very low43.8Very low204 Ų204161.3 Ų161.377%0.7775%0.747SS**  81.6108.9121.4-153.4179.7-156.9-163.96.1118.4
63R43.5Very low44.3Very low195 Ų195157 Ų15774%0.73674%0.74SS**  trans66.3140.3143.9-69.4179.8-178.6177.4-4.6114.9
64E46Very low44.1Very low115 Ų115162.8 Ų162.854%0.53775%0.754SS.*  cis-172.8145.318.2-118.1172.2-156.800106.4
65R40.7Very low44.1Very low178 Ų178163.6 Ų163.667%0.67276%0.76SS**  trans74.5110.9137.3-71.4169.4-175.9162.9-5.9120.9
66R39.7Very low44.1Very low205 Ų205168 Ų16877%0.77476%0.764SS**  106.4106.2118.2-71.4174.1176.8-178-1.4119
67H43.2Very low44Very low179 Ų179164.6 Ų164.683%0.82976%0.762SS**  61.3132.1126.4-65.5-64.4000122.5
68S40.1Very low43.9Very low104 Ų104161.6 Ų161.673%0.72776%0.76SS**  trans124.297136.3-170.60000111.2
69S46.9Very low44Very low84 Ų84167.5 Ų167.559%0.58777%0.767SS**  96132.463.782.60000112.9
70R41.4Very low44Very low222 Ų222167 Ų16784%0.83877%0.765SS**  trans74146.9152.8-61.6-178.5175.6158-3116.8
71D48.3Very low44.1Very low113 Ų113162 Ų16260%0.60476%0.757SS**  cis-176.3153.2-8.7-113.5-46.1000106.1
72R45.9Very low43.8Very low199 Ų199167.7 Ų167.775%0.75176%0.764SS**  trans76.9117.4138.4-71.3177.3-169.6-179.7-2.1123.8
73D47.7Very low43.9Very low125 Ų125169 Ų16967%0.66877%0.769SS**  68.8118.2120.8-48.6-28.7000120.7
74R42.2Very low44Very low232 Ų232164.6 Ų164.688%0.87577%0.766SS**  172.1120.898.1-92.4177.5-179.7162.5-0.4113.9
75H43.8Very low43.6Very low180 Ų180164.1 Ų164.183%0.83378%0.775SS**  trans-11.5133.7154.6-58.7-82.3000119.7
76R43Very low43.7Very low251 Ų251165.4 Ų165.495%0.94778%0.78SS**  trans-155129.2130.5-108.9173.4-170.8-171.32.5111.5
77S43.4Very low43.8Very low117 Ų117161.5 Ų161.582%0.81878%0.779SS**  trans-76.2132.6-173.649.70000114.1
78S46.7Very low43.8Very low114 Ų114159.3 Ų159.380%0.79777%0.769SS**  trans-15993.9147.9-146.90000105.9
79R47.3Very low43.7Very low221 Ų221165.7 Ų165.783%0.83478%0.777SS**  48.3119.9103.3-83.9-173.2179.8172.80113.5
80D48.2Very low43.4Very low143 Ų143172 Ų17277%0.76579%0.788SS**  trans80.387.4159.1-52.4-46.7000117.8
81D42.1Very low43.4Very low149 Ų149169.7 Ų169.780%0.79779%0.787SS**  16680.1106.8-104.7-48000110R83D81-R83 VanDerWaalsContact C-N 3.33Å; D81-R83 PolarHBondContact O-N 2.98Å; D81-R83 VanDerWaalsContact O-N 3.08Å
82H37.7Very low43.3Very low191 Ų191173.3 Ų173.388%0.88480%0.797SS**  trans-73.591.5161.9-7929.7000108.2P84H82-P84 VanDerWaalsContact C-CD 3.42Å; H82-P84 WeakPolarHBondContact O-CD 3.36Å
83R43.7Very low43.5Very low231 Ų231167.3 Ų167.387%0.87279%0.786SS**  trans-98.386.6161.9-155.3176-168.8-151.23.3108.4D81 S85D81-R83 VanDerWaalsContact C-N 3.33Å; D81-R83 PolarHBondContact O-N 2.98Å; D81-R83 VanDerWaalsContact O-N 3.08Å; R83-S85 PolarHBondContact O-N 2.87Å
84P46.1Very low44Very low104 Ų104165.9 Ų165.968%0.67578%0.783SS**  trans-62.2124.8167.427.9-30.3000106.2H82 R86H82-P84 VanDerWaalsContact C-CD 3.42Å; H82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-R86 VanDerWaalsContact C-N 3.29Å; P84-R86 PolarHBondContact O-N 3.12Å
85S38.2Very low44.3Very low104 Ų104162.7 Ų162.773%0.72778%0.778SS**  trans-54.2101.1167.6500000107.3R83 T87R83-S85 PolarHBondContact O-N 2.87Å; S85-T87 PolarHBondContact O-N 3.3Å; S85-T87 PolarHBondContact O-OG1 3.11Å
86R42.7Very low45.1Very low206 Ų206156.4 Ų156.478%0.77775%0.75SS**  trans-69.959.3174.5-169.2-174.8165.3-174.5-4.8109.2P84 E88P84-R86 VanDerWaalsContact C-N 3.29Å; P84-R86 PolarHBondContact O-N 3.12Å; R86-E88 HydrophobicContact CG-CB 4.5Å; R86-E88 HydrophobicContact CG-CG 3.81Å; R86-E88 IonicContact CZ-OE2 3.73Å; R86-E88 IonicContact NE-OE2 3.79Å; R86-E88 PolarHBondContact NE-OE2 2.99Å; R86-E88 IonicContact NH2-OE2 3.4Å; R86-E88 PolarHBondContact NH2-OE2 3.1Å; R86-E88 PolarHBondContact O-N 2.93Å
87T41.4Very low46.2Very low122 Ų122147 Ų14775%0.74872%0.723SS**  trans-82.365.2150.420.70000105.9S85 R89S85-T87 PolarHBondContact O-N 3.3Å; S85-T87 PolarHBondContact O-OG1 3.11Å; T87-R89 PolarHBondContact O-N 3.43Å
88E42.3Very low47.4Very low133 Ų133144.9 Ų144.962%0.62171%0.707SS**  trans-53.2114.8162-81.3176.8139.800106.1R86 R90R86-E88 HydrophobicContact CG-CB 4.5Å; R86-E88 HydrophobicContact CG-CG 3.81Å; R86-E88 IonicContact CZ-OE2 3.73Å; R86-E88 IonicContact NE-OE2 3.79Å; R86-E88 PolarHBondContact NE-OE2 2.99Å; R86-E88 IonicContact NH2-OE2 3.4Å; R86-E88 PolarHBondContact NH2-OE2 3.1Å; R86-E88 PolarHBondContact O-N 2.93Å; E88-R90 PolarHBondContact O-N 2.91Å
89R38.4Very low48.4Very low239 Ų239147.1 Ų147.190%0.90271%0.705SS**  trans-40.185.8164.6-72.3167.6157-164.7-5.8109.5T87 Q91T87-R89 PolarHBondContact O-N 3.43Å; R89-Q91 PolarHBondContact O-N 2.69Å
90R41.3Very low49.6Very low217 Ų217140.7 Ų140.782%0.81968%0.684SS**  trans-71.492.5167.2-161.5175.4173-167.3-3.3104.4E88 K92E88-R90 PolarHBondContact O-N 2.91Å; R90-K92 PolarHBondContact O-N 2.82Å; R90-K92 VanDerWaalsContact O-N 3.1Å
91Q41.9Very low50.7Low173 Ų173138 Ų13881%0.80866%0.663SS**  trans-46.4120.8179.6-66.1179.4700108R89 S93R89-Q91 PolarHBondContact O-N 2.69Å; Q91-S93 PolarHBondContact O-N 3.23Å
92K45.5Very low52.1Low189 Ų189132.5 Ų132.582%0.82263%0.634SS**  trans-62.2101.8178.8-161.8174.7-176.5-171.30106.4R90R90-K92 PolarHBondContact O-N 2.82Å; R90-K92 VanDerWaalsContact O-N 3.1Å
93S50.8Low54.2Low72 Ų72126.1 Ų126.150%0.50361%0.614SS.*  trans-53141.2176.1-52.90000109Q91 E95Q91-S93 PolarHBondContact O-N 3.23Å; S93-E95 PolarHBondContact O-N 2.79Å
94P56.5Low56.1Low96 Ų96116.8 Ų116.862%0.62358%0.579SS**  trans-52.1139.4-176.520.5-32000110.7L96P94-L96 PolarHBondContact O-N 3.44Å
95E50.3Low58.1Low164 Ų164112.6 Ų112.677%0.76655%0.552SS**  trans-68.682.8176.2-72.4-164.1148.500109.6S93S93-E95 PolarHBondContact O-N 2.79Å
96L59.8Low60.5Low48 Ų48107.7 Ų107.725%0.25152%0.517SS..  trans-68.4141.1174.5-63.6157.4000109.4P94 E100 R101P94-L96 PolarHBondContact O-N 3.44Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.36Å; L96-R101 HydrophobicContact CB-CG 4.42Å; L96-R101 PolarHBondContact O-NE 2.93Å; L96-R101 PolarHBondContact O-NH2 2.99Å
97S67Low62.8Low53 Ų5399.9 Ų99.937%0.37149%0.489SS..  trans-50.4142.4176.1176.90000111.1E99 E100 R101S97-E99 PolarHBondContact O-N 3.17Å; S97-E100 PolarHBondContact O-N 3.1Å; S97-E100 VanDerWaalsContact O-N 3.1Å; S97-R101 PolarHBondContact O-N 3.18Å
98P67.5Low65.1Low74 Ų7494.1 Ų94.148%0.48145%0.453SS..Hα-helixtrans-51.9-36.9178.8-25.533.8000113.6R101 D102P98-R101 WeakPolarHBondContact O-CB 3.41Å; P98-R101 PolarHBondContact O-N 3.22Å; P98-D102 PolarHBondContact O-N 2.92Å
99E67.2Low67.4Low161 Ų16193.3 Ų93.375%0.75245%0.445SS*.Hα-helixtrans-65.4-41.3179.6-66.7174.2168.100112.3S97 R101 D102 A103S97-E99 PolarHBondContact O-N 3.17Å; E99-R101 VanDerWaalsContact C-N 3.27Å; E99-R101 PolarHBondContact O-N 2.77Å; E99-D102 PolarHBondContact O-N 3.02Å; E99-A103 PolarHBondContact O-N 3.37Å
100E73Confident69.8Low85 Ų8586 Ų8640%0.39742%0.421SS..Hα-helixtrans-76.2-17.7177.8-51.9-174.917100112.9L96 S97 R104L96-E100 WeakPolarHBondContact CD2-OE2 3.36Å; S97-E100 PolarHBondContact O-N 3.1Å; S97-E100 VanDerWaalsContact O-N 3.1Å; E100-R104 VanDerWaalsContact O-CG 3.3Å; E100-R104 WeakPolarHBondContact O-CG 3.38Å; E100-R104 PolarHBondContact O-NH1 3.18Å; E100-R104 IonicContact OE2-CZ 2.87Å; E100-R104 IonicContact OE2-NH1 3.38Å; E100-R104 PolarHBondContact OE2-NH1 3.2Å; E100-R104 IonicContact OE2-NH2 3.78Å; E100-R104 PolarHBondContact OE2-NH2 3.43Å
101R70.6Confident71.9Confident88 Ų8876.1 Ų76.133%0.33238%0.384SS..Hα-helixtrans-71.3-45.8171-67.4178.3-174.1-171.11.5109.6L96 S97 P98 E99 A103 R104 T105L96-R101 HydrophobicContact CB-CG 4.42Å; L96-R101 PolarHBondContact O-NE 2.93Å; L96-R101 PolarHBondContact O-NH2 2.99Å; S97-R101 PolarHBondContact O-N 3.18Å; P98-R101 WeakPolarHBondContact O-CB 3.41Å; P98-R101 PolarHBondContact O-N 3.22Å; E99-R101 VanDerWaalsContact C-N 3.27Å; E99-R101 PolarHBondContact O-N 2.77Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 2.83Å; R101-R104 CarbonylContact O-C 3.59Å; R101-R104 PolarHBondContact O-N 2.83Å; R101-T105 VanDerWaalsContact O-CG2 3.25Å; R101-T105 WeakPolarHBondContact O-CG2 3.43Å; R101-T105 PolarHBondContact O-N 2.73Å; R101-T105 VanDerWaalsContact O-N 3.1Å; R101-T105 PolarHBondContact O-OG1 3.44Å
102D72.5Confident74Confident33 Ų3368.9 Ų68.918%0.17635%0.353CS..Hα-helixtrans-59.5-44.6178.6-9323.2000111.7P98 E99 R104 T105 E182P98-D102 PolarHBondContact O-N 2.92Å; E99-D102 PolarHBondContact O-N 3.02Å; D102-R104 PolarHBondContact O-N 3.3Å; D102-R104 VanDerWaalsContact O-N 3.15Å; D102-T105 WeakPolarHBondContact CA-OG1 3.3Å; D102-T105 PolarHBondContact O-N 2.82Å; D102-T105 PolarHBondContact O-OG1 3.48Å; D102-E182 WeakPolarHBondContact OD2-CA 3.46Å; D102-E182 WeakPolarHBondContact OD2-CB 3.3Å; D102-E182 PolarHBondContact OD2-N 3.15Å
103A81.2Confident75.7Confident57 Ų5762.3 Ų62.347%0.47133%0.334SS..THydrogen-bonded Turntrans-61.1-22.617600000114.5E99 R101E99-A103 PolarHBondContact O-N 3.37Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 2.83Å
104R84.9Confident77.3Confident34 Ų3469.2 Ų69.213%0.12835%0.349CS..THydrogen-bonded Turntrans-99-1.2176.8-63.9179.5-169.3104-1.7113E100 R101 D102 F152 V155E100-R104 VanDerWaalsContact O-CG 3.3Å; E100-R104 WeakPolarHBondContact O-CG 3.38Å; E100-R104 PolarHBondContact O-NH1 3.18Å; E100-R104 IonicContact OE2-CZ 2.87Å; E100-R104 IonicContact OE2-NH1 3.38Å; E100-R104 PolarHBondContact OE2-NH1 3.2Å; E100-R104 IonicContact OE2-NH2 3.78Å; E100-R104 PolarHBondContact OE2-NH2 3.43Å; R101-R104 CarbonylContact O-C 3.59Å; R101-R104 PolarHBondContact O-N 2.83Å; D102-R104 PolarHBondContact O-N 3.3Å; D102-R104 VanDerWaalsContact O-N 3.15Å; R104-F152 WeakPolarHBondContact CB-O 3.27Å; R104-F152 PolarHBondContact O-N 3.23Å; R104-V155 HydrophobicContact CG-CB 4.29Å; R104-V155 HydrophobicContact CG-CG2 3.57Å
105T86.9Confident78.7Confident17 Ų1765 Ų6510%0.10432%0.321CS..EExtended strand (participates in β ladder)trans-102.1137.6179.455.60000111.5R101 D102 V150 E151 S179R101-T105 VanDerWaalsContact O-CG2 3.25Å; R101-T105 WeakPolarHBondContact O-CG2 3.43Å; R101-T105 PolarHBondContact O-N 2.73Å; R101-T105 VanDerWaalsContact O-N 3.1Å; R101-T105 PolarHBondContact O-OG1 3.44Å; D102-T105 WeakPolarHBondContact CA-OG1 3.3Å; D102-T105 PolarHBondContact O-N 2.82Å; D102-T105 PolarHBondContact O-OG1 3.48Å; T105-V150 CarbonylContact C-O 3.54Å; T105-V150 VanDerWaalsContact CA-O 3.29Å; T105-V150 WeakPolarHBondContact CA-O 3.34Å; T105-E151 HydrophobicContact CG2-CB 3.65Å; T105-E151 HydrophobicContact CG2-CG 3.6Å; T105-S179 WeakPolarHBondContact O-CB 3.28Å; T105-S179 PolarHBondContact O-N 2.83Å; T105-S179 VanDerWaalsContact O-N 3.15Å; T105-S179 WeakPolarHBondContact OG1-CB 3.25Å; T105-S179 PolarHBondContact OG1-OG 2.94Å
106V90Very high80.4Confident1 Ų165.7 Ų65.71%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-112.2140.6170.2-59.60000109.9V108 Y149 V150 F152 A158 A161 I176 Q177V106-V108 HydrophobicContact CG2-CG2 4.06Å; V106-Y149 WeakPolarHBondContact O-CA 3.11Å; V106-V150 HydrophobicContact CG2-CB 3.75Å; V106-V150 HydrophobicContact CG2-CG1 4.44Å; V106-V150 PolarHBondContact N-O 3.33Å; V106-V150 PolarHBondContact O-N 3Å; V106-F152 HydrophobicContact CB-CE2 4.49Å; V106-F152 HydrophobicContact CG1-CD2 4.42Å; V106-F152 HydrophobicContact CG1-CE2 4.02Å; V106-F152 HydrophobicContact CG2-CD2 4.45Å; V106-F152 HydrophobicContact CG2-CE2 3.65Å; V106-A158 HydrophobicContact CG1-CB 3.94Å; V106-A161 HydrophobicContact CG1-CB 4.27Å; V106-I176 HydrophobicContact CB-CG2 3.84Å; V106-I176 HydrophobicContact CG1-CG2 4.3Å; V106-I176 HydrophobicContact CG2-CG2 4.06Å; V106-Q177 CarbonylContact C-O 3.56Å; V106-Q177 WeakPolarHBondContact CA-O 3.33Å
107F90.4Very high81.7Confident42 Ų4267.4 Ų67.418%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-91.8119.3170.2177.6-115.2000108.9W109 I147 Y149 I176 Q177F107-W109 HydrophobicContact CE1-CB 3.75Å; F107-W109 AromaticContact CE1-CG 3.9Å; F107-W109 HydrophobicContact CE1-CG 3.9Å; F107-W109 HydrophobicContact CZ-CB 3.92Å; F107-I147 HydrophobicContact CE2-CB 3.84Å; F107-I147 HydrophobicContact CE2-CD1 4.44Å; F107-I147 HydrophobicContact CE2-CG1 4.45Å; F107-I147 HydrophobicContact CE2-CG2 4.32Å; F107-I147 HydrophobicContact CZ-CB 3.98Å; F107-I147 HydrophobicContact CZ-CG2 3.93Å; F107-Y149 HydrophobicContact CB-CD1 4.29Å; F107-Y149 HydrophobicContact CB-CE1 4.11Å; F107-Y149 AromaticContact CD2-CD1 3.93Å; F107-Y149 HydrophobicContact CD2-CD1 3.93Å; F107-Y149 AromaticContact CD2-CE1 3.44Å; F107-Y149 HydrophobicContact CD2-CE1 3.44Å; F107-Y149 VanDerWaalsContact CD2-CE1 3.44Å; F107-Y149 HydrophobicContact CD2-CE2 4.29Å; F107-Y149 AromaticContact CD2-CZ 3.64Å; F107-Y149 HydrophobicContact CE2-CE1 4.25Å; F107-Y149 HydrophobicContact CE2-CE2 4.45Å; F107-Y149 AromaticContact CE2-CZ 3.98Å; F107-Y149 HydrophobicContact CG-CE1 4.15Å; F107-I176 WeakPolarHBondContact O-CA 3.22Å; F107-Q177 PolarHBondContact N-O 3.22Å; F107-Q177 PolarHBondContact O-N 2.76Å
108V89.3Confident82.7Confident0 Ų073.7 Ų73.70%034%0.339CS..EExtended strand (participates in β ladder)trans-110.1125.4178.5-168.10000108.2V106 L111 F124 I147 A148 V150 I174 Q175 I176V106-V108 HydrophobicContact CG2-CG2 4.06Å; V108-L111 HydrophobicContact CB-CD1 4.44Å; V108-L111 HydrophobicContact CG1-CD1 4.2Å; V108-L111 HydrophobicContact CG1-CD2 3.55Å; V108-L111 HydrophobicContact CG1-CG 4.02Å; V108-F124 HydrophobicContact CG1-CZ 4.48Å; V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.67Å; V108-I147 CarbonylContact O-C 3.35Å; V108-I147 VanDerWaalsContact O-CA 3.27Å; V108-I147 WeakPolarHBondContact O-CA 3.37Å; V108-A148 PolarHBondContact N-O 3.19Å; V108-A148 PolarHBondContact O-N 3.38Å; V108-V150 HydrophobicContact CG2-CG2 4Å; V108-I174 HydrophobicContact CG1-CB 4.41Å; V108-Q175 CarbonylContact C-O 3.54Å; V108-Q175 VanDerWaalsContact CA-O 3.3Å; V108-Q175 WeakPolarHBondContact CA-O 2.92Å; V108-I176 HydrophobicContact CG1-CG1 4.16Å; V108-I176 HydrophobicContact CG2-CG1 4.33Å; V108-I176 HydrophobicContact CG2-CG2 4.4Å
109W90.7Very high83.7Confident117 Ų11772.8 Ų72.844%0.44333%0.33SS..EExtended strand (participates in β ladder)trans-130.4174.4177.369.9-57.5000110.9F107 L111 G146 I147 Q175F107-W109 HydrophobicContact CE1-CB 3.75Å; F107-W109 AromaticContact CE1-CG 3.9Å; F107-W109 HydrophobicContact CE1-CG 3.9Å; F107-W109 HydrophobicContact CZ-CB 3.92Å; W109-L111 VanDerWaalsContact C-N 3.29Å; W109-L111 PolarHBondContact O-N 2.6Å; W109-G146 CarbonylContact C-O 3.55Å; W109-G146 WeakPolarHBondContact CA-O 3.27Å; W109-I147 HydrophobicContact CB-CB 4.47Å; W109-I147 HydrophobicContact CB-CG2 3.75Å; W109-Q175 HydrophobicContact CD2-CB 4.36Å; W109-Q175 HydrophobicContact CG-CB 4.09Å; W109-Q175 PolarHBondContact N-O 2.9Å; W109-Q175 PolarHBondContact O-N 3.45Å
110Q88.3Confident84.7Confident85 Ų8565.1 Ų65.140%0.39729%0.294SS..SBendtrans63.534.3-173.4-160.4173.7-32.200112.9G146 V172 P173 Q175Q110-G146 PolarHBondContact N-O 2.72Å; Q110-V172 HydrophobicContact CG-CG1 4.2Å; Q110-V172 WeakPolarHBondContact O-CG1 3.36Å; Q110-P173 PolarHBondContact NE2-O 3.02Å; Q110-Q175 HydrophobicContact CB-CB 4.43Å; Q110-Q175 HydrophobicContact CB-CG 4.17Å
111L86.8Confident85.4Confident10 Ų1064.2 Ų64.25%0.05229%0.29CS..  trans-80147.5176.3-60.2174.6000111.9V108 W109 I115 L120 L135 G146 A148 I174V108-L111 HydrophobicContact CB-CD1 4.44Å; V108-L111 HydrophobicContact CG1-CD1 4.2Å; V108-L111 HydrophobicContact CG1-CD2 3.55Å; V108-L111 HydrophobicContact CG1-CG 4.02Å; W109-L111 VanDerWaalsContact C-N 3.29Å; W109-L111 PolarHBondContact O-N 2.6Å; L111-I115 HydrophobicContact CB-CD1 4.14Å; L111-I115 HydrophobicContact CB-CG2 3.96Å; L111-I115 HydrophobicContact CD1-CD1 4.18Å; L111-I115 HydrophobicContact CD1-CG2 4.33Å; L111-I115 HydrophobicContact CD2-CD1 3.73Å; L111-I115 HydrophobicContact CG-CD1 4.24Å; L111-L120 HydrophobicContact CD1-CD1 4Å; L111-L120 HydrophobicContact CD1-CD2 4.03Å; L111-L120 HydrophobicContact CD2-CD2 3.96Å; L111-L135 HydrophobicContact CD1-CD1 4.24Å; L111-G146 PolarHBondContact N-O 3.43Å; L111-G146 WeakPolarHBondContact O-CA 3.32Å; L111-A148 HydrophobicContact CD1-CB 3.58Å; L111-I174 HydrophobicContact CD2-CB 4.17Å; L111-I174 HydrophobicContact CD2-CG2 3.66Å
112S84.4Confident86.3Confident21 Ų2165.8 Ų65.815%0.14731%0.305CS..  trans-58.3139.9174-178.90000111.5R114 I115S112-R114 PolarHBondContact O-N 3.35Å; S112-R114 PolarHBondContact OG-N 3.34Å; S112-I115 WeakPolarHBondContact O-CB 3.06Å; S112-I115 VanDerWaalsContact O-CG2 3.24Å; S112-I115 WeakPolarHBondContact O-CG2 2.98Å; S112-I115 PolarHBondContact O-N 3.44Å
113A82.7Confident87Confident51 Ų5166.5 Ų66.542%0.42131%0.306SS..THydrogen-bonded Turntrans-60.3-13.8177.300000113.7S144A113-S144 VanDerWaalsContact CA-OG 3.31Å; A113-S144 WeakPolarHBondContact CA-OG 3.48Å; A113-S144 PolarHBondContact O-OG 2.86Å; A113-S144 VanDerWaalsContact O-OG 3.07Å
114R83.6Confident87.3Confident217 Ų21763.8 Ų63.882%0.81928%0.284SS*.THydrogen-bonded Turntrans-94.6-6.8178.6-62.7-176.8178.7-179.30.5113.8S112S112-R114 PolarHBondContact O-N 3.35Å; S112-R114 PolarHBondContact OG-N 3.34Å
115I85.2Confident87.4Confident6 Ų666.4 Ų66.43%0.03130%0.304CS..  trans-65.4139.9-174-154.5173.3000111.6L111 S112 D119 L120 L135 L169L111-I115 HydrophobicContact CB-CD1 4.14Å; L111-I115 HydrophobicContact CB-CG2 3.96Å; L111-I115 HydrophobicContact CD1-CD1 4.18Å; L111-I115 HydrophobicContact CD1-CG2 4.33Å; L111-I115 HydrophobicContact CD2-CD1 3.73Å; L111-I115 HydrophobicContact CG-CD1 4.24Å; S112-I115 WeakPolarHBondContact O-CB 3.06Å; S112-I115 VanDerWaalsContact O-CG2 3.24Å; S112-I115 WeakPolarHBondContact O-CG2 2.98Å; S112-I115 PolarHBondContact O-N 3.44Å; I115-D119 HydrophobicContact CG1-CB 3.98Å; I115-L120 HydrophobicContact CD1-CD1 4.31Å; I115-L120 HydrophobicContact CD1-CD2 3.48Å; I115-L120 VanDerWaalsContact CD1-CD2 3.48Å; I115-L120 HydrophobicContact CD1-CG 3.65Å; I115-L120 HydrophobicContact CG1-CG 4.25Å; I115-L135 HydrophobicContact CG2-CD1 4Å; I115-L135 HydrophobicContact CG2-CD2 4.46Å; I115-L169 HydrophobicContact CD1-CD1 4.43Å; I115-L169 HydrophobicContact CD1-CD2 3.29Å; I115-L169 HydrophobicContact CD1-CG 4.47Å; I115-L169 HydrophobicContact CG1-CD2 3.77Å
116R85.5Confident87.4Confident179 Ų17970.2 Ų70.268%0.67533%0.331SS*.  trans-111.4164.2172-65.4-175.5172.1-173.9-1.5110.6R118 D119 L120R116-R118 PolarHBondContact O-N 3.34Å; R116-D119 PolarHBondContact N-OD2 3.47Å; R116-D119 PolarHBondContact O-N 2.76Å; R116-D119 VanDerWaalsContact O-N 3.16Å; R116-L120 PolarHBondContact O-N 3.1Å
117Q88.1Confident87.2Confident85 Ų8571.2 Ų71.240%0.39734%0.337SS..Hα-helixtrans-52.9-41.6174.9-174.4177.7-26.800112.3D119 L120 E121 V133Q117-D119 VanDerWaalsContact C-N 3.35Å; Q117-D119 PolarHBondContact O-N 3.45Å; Q117-L120 PolarHBondContact O-N 3.37Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.25Å; Q117-E121 PolarHBondContact NE2-OE1 2.97Å; Q117-E121 WeakPolarHBondContact O-CG 3.35Å; Q117-E121 PolarHBondContact O-N 3.17Å; Q117-V133 HydrophobicContact CG-CB 3.75Å; Q117-V133 HydrophobicContact CG-CG1 3.84Å
118R87.1Confident87Confident184 Ų18470 Ų7069%0.69434%0.337SS*.Hα-helixtrans-62.1-39179.7-62.8-179.7-170.61780.5113.1R116 L120 E121 D122R116-R118 PolarHBondContact O-N 3.34Å; R118-L120 VanDerWaalsContact C-N 3.27Å; R118-L120 PolarHBondContact O-N 3.28Å; R118-E121 WeakPolarHBondContact O-CB 3.44Å; R118-E121 PolarHBondContact O-N 3.08Å; R118-E121 VanDerWaalsContact O-N 3.14Å; R118-D122 PolarHBondContact O-N 3.42Å
119D88.3Confident87Confident56 Ų5676.7 Ų76.730%0.29937%0.366SS..Hα-helixtrans-65.9-35.5-179.1-50.2-39.8000111I115 R116 Q117 F123I115-D119 HydrophobicContact CG1-CB 3.98Å; R116-D119 PolarHBondContact N-OD2 3.47Å; R116-D119 PolarHBondContact O-N 2.76Å; R116-D119 VanDerWaalsContact O-N 3.16Å; Q117-D119 VanDerWaalsContact C-N 3.35Å; Q117-D119 PolarHBondContact O-N 3.45Å; D119-F123 VanDerWaalsContact O-CB 3.3Å; D119-F123 WeakPolarHBondContact O-CB 3.46Å; D119-F123 PolarHBondContact O-N 2.79Å; D119-F123 VanDerWaalsContact O-N 3.15Å
120L88.2Confident86.9Confident0 Ų073.1 Ų73.10%036%0.355CS..Hα-helixtrans-70.8-40.4172.8-68.9170.2000111.2L111 I115 R116 Q117 R118 F123 F124 V133 L135 A148L111-L120 HydrophobicContact CD1-CD1 4Å; L111-L120 HydrophobicContact CD1-CD2 4.03Å; L111-L120 HydrophobicContact CD2-CD2 3.96Å; I115-L120 HydrophobicContact CD1-CD1 4.31Å; I115-L120 HydrophobicContact CD1-CD2 3.48Å; I115-L120 VanDerWaalsContact CD1-CD2 3.48Å; I115-L120 HydrophobicContact CD1-CG 3.65Å; I115-L120 HydrophobicContact CG1-CG 4.25Å; R116-L120 PolarHBondContact O-N 3.1Å; Q117-L120 PolarHBondContact O-N 3.37Å; R118-L120 VanDerWaalsContact C-N 3.27Å; R118-L120 PolarHBondContact O-N 3.28Å; L120-F123 PolarHBondContact O-N 3.19Å; L120-F124 HydrophobicContact CB-CD2 4.43Å; L120-F124 HydrophobicContact CD2-CE2 3.99Å; L120-F124 WeakPolarHBondContact O-CB 3.4Å; L120-F124 VanDerWaalsContact O-CD2 3.22Å; L120-F124 WeakPolarHBondContact O-CD2 3.43Å; L120-F124 PolarHBondContact O-N 3.21Å; L120-V133 HydrophobicContact CB-CG1 4.04Å; L120-V133 HydrophobicContact CD1-CG1 3.88Å; L120-L135 HydrophobicContact CD1-CD1 4.39Å; L120-A148 HydrophobicContact CD1-CB 3.61Å
121E89Confident86.7Confident66 Ų6672.1 Ų72.131%0.30835%0.348SS..Hα-helixtrans-59.9-49.1176.2-72.9171.8-176.800111.2Q117 R118 F123 F124 T125 I130 V133Q117-E121 WeakPolarHBondContact CG-OE1 3.25Å; Q117-E121 PolarHBondContact NE2-OE1 2.97Å; Q117-E121 WeakPolarHBondContact O-CG 3.35Å; Q117-E121 PolarHBondContact O-N 3.17Å; R118-E121 WeakPolarHBondContact O-CB 3.44Å; R118-E121 PolarHBondContact O-N 3.08Å; R118-E121 VanDerWaalsContact O-N 3.14Å; E121-F123 VanDerWaalsContact C-N 3.33Å; E121-F123 PolarHBondContact O-N 2.78Å; E121-F124 PolarHBondContact O-N 3.31Å; E121-T125 VanDerWaalsContact O-CB 3.3Å; E121-T125 WeakPolarHBondContact O-CB 3.48Å; E121-T125 PolarHBondContact O-N 2.86Å; E121-T125 PolarHBondContact O-OG1 3.04Å; E121-I130 HydrophobicContact CB-CD1 4.26Å; E121-I130 HydrophobicContact CG-CD1 4.43Å; E121-I130 VanDerWaalsContact O-CD1 3.23Å; E121-I130 WeakPolarHBondContact O-CD1 2.98Å; E121-V133 HydrophobicContact CG-CB 4.33Å; E121-V133 HydrophobicContact CG-CG2 3.63Å
122D88.6Confident86.6Confident120 Ų12075.4 Ų75.464%0.64237%0.365SS*.Hα-helixtrans-62.9-40179.3-67.6-25.7000111.7R118R118-D122 PolarHBondContact O-N 3.42Å
123F87.2Confident86.8Confident48 Ų4874.5 Ų74.521%0.21136%0.359CS..Hα-helixtrans-66.1-49.7179.1-177.8-97.3000112.5D119 L120 E121 T125 S126 L164 T167 L169 I174D119-F123 VanDerWaalsContact O-CB 3.3Å; D119-F123 WeakPolarHBondContact O-CB 3.46Å; D119-F123 PolarHBondContact O-N 2.79Å; D119-F123 VanDerWaalsContact O-N 3.15Å; L120-F123 PolarHBondContact O-N 3.19Å; E121-F123 VanDerWaalsContact C-N 3.33Å; E121-F123 PolarHBondContact O-N 2.78Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3.17Å; F123-S126 PolarHBondContact O-OG 3.4Å; F123-L164 HydrophobicContact CE1-CB 4.2Å; F123-L164 HydrophobicContact CE1-CD1 3.68Å; F123-L164 HydrophobicContact CZ-CB 4.17Å; F123-L164 HydrophobicContact CZ-CD1 3.75Å; F123-T167 HydrophobicContact CZ-CG2 4.35Å; F123-T167 WeakPolarHBondContact CZ-OG1 3.46Å; F123-L169 HydrophobicContact CB-CD1 3.64Å; F123-L169 HydrophobicContact CD1-CD1 4.18Å; F123-L169 HydrophobicContact CD2-CD1 3.74Å; F123-L169 HydrophobicContact CE2-CD1 4.49Å; F123-L169 HydrophobicContact CG-CD1 3.56Å; F123-I174 HydrophobicContact CD1-CD1 3.99Å; F123-I174 HydrophobicContact CE1-CD1 3.33Å; F123-I174 HydrophobicContact CZ-CD1 3.65Å
124F87.3Confident87Confident0 Ų079 Ų790%037%0.365CS..Hα-helixtrans-79.7-13.6-177-74.5-65.6000113.9V108 L120 E121 S126 V127 G128 I130 V150 F152 A161 I176V108-F124 HydrophobicContact CG1-CZ 4.48Å; V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.67Å; L120-F124 HydrophobicContact CB-CD2 4.43Å; L120-F124 HydrophobicContact CD2-CE2 3.99Å; L120-F124 WeakPolarHBondContact O-CB 3.4Å; L120-F124 VanDerWaalsContact O-CD2 3.22Å; L120-F124 WeakPolarHBondContact O-CD2 3.43Å; L120-F124 PolarHBondContact O-N 3.21Å; E121-F124 PolarHBondContact O-N 3.31Å; F124-S126 PolarHBondContact O-N 2.73Å; F124-V127 PolarHBondContact O-N 2.67Å; F124-G128 PolarHBondContact O-N 3.1Å; F124-I130 HydrophobicContact CB-CD1 3.54Å; F124-I130 HydrophobicContact CB-CG1 4.11Å; F124-V150 HydrophobicContact CB-CG1 4.36Å; F124-V150 HydrophobicContact CD2-CB 4.43Å; F124-V150 HydrophobicContact CD2-CG1 4.05Å; F124-V150 HydrophobicContact CD2-CG2 3.85Å; F124-V150 HydrophobicContact CE2-CG2 3.82Å; F124-V150 HydrophobicContact CG-CG1 4.2Å; F124-F152 HydrophobicContact CB-CE1 4.01Å; F124-F152 HydrophobicContact CB-CZ 3.97Å; F124-F152 HydrophobicContact CD1-CE1 4.44Å; F124-F152 AromaticContact CD1-CZ 3.66Å; F124-F152 HydrophobicContact CD1-CZ 3.66Å; F124-F152 HydrophobicContact CE1-CZ 4.42Å; F124-F152 AromaticContact CG-CZ 3.99Å; F124-F152 HydrophobicContact CG-CZ 3.99Å; F124-A161 HydrophobicContact CD1-CB 4.14Å; F124-A161 HydrophobicContact CE1-CB 3.98Å; F124-I176 HydrophobicContact CE1-CD1 3.68Å; F124-I176 HydrophobicContact CZ-CD1 3.72Å; F124-I176 HydrophobicContact CZ-CG1 4.18Å
125T88.4Confident87.1Confident90 Ų9070.1 Ų70.155%0.55233%0.334SS*.Hα-helixtrans-59-28.9172.7-690000111.9E121 F123 V127E121-T125 VanDerWaalsContact O-CB 3.3Å; E121-T125 WeakPolarHBondContact O-CB 3.48Å; E121-T125 PolarHBondContact O-N 2.86Å; E121-T125 PolarHBondContact O-OG1 3.04Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3.17Å; T125-V127 PolarHBondContact O-N 3.4Å
126S86.7Confident87.1Confident97 Ų9772 Ų7268%0.67834%0.343SS*.THydrogen-bonded Turntrans-63.9-27.4175650000113.7F123 F124F123-S126 PolarHBondContact O-OG 3.4Å; F124-S126 PolarHBondContact O-N 2.73Å
127V85.2Confident87Confident22 Ų2268.5 Ų68.513%0.13334%0.336CS..THydrogen-bonded Turntrans-94.9-32.7-175.7-1730000111.9F124 T125 S157 L160 A161 L164F124-V127 PolarHBondContact O-N 2.67Å; T125-V127 PolarHBondContact O-N 3.4Å; V127-S157 VanDerWaalsContact CG1-O 3.22Å; V127-S157 WeakPolarHBondContact CG1-O 3.47Å; V127-L160 HydrophobicContact CG1-CB 3.4Å; V127-A161 HydrophobicContact CG1-CB 4.1Å; V127-L164 HydrophobicContact CG2-CD1 3.2Å; V127-L164 HydrophobicContact CG2-CG 4.04Å
128G86.3Confident86.6Confident17 Ų1766.6 Ų66.618%0.17533%0.328CS..SBendtrans174.8178.5-179.700000114.2F124 I130F124-G128 PolarHBondContact O-N 3.1Å; G128-I130 PolarHBondContact O-N 3.39Å
129K89.1Confident86.2Confident140 Ų14065.3 Ų65.361%0.60934%0.335SS*.  trans-76.3121.8178.6-68.1176.1-176.9166.10110.1R153K129-R153 HydrophobicContact CB-CB 4.15Å; K129-R153 WeakPolarHBondContact O-CB 3.32Å; K129-R153 PolarHBondContact O-N 3.39Å
130I88Confident85.6Confident41 Ų4172 Ų7221%0.2136%0.362CS..EExtended strand (participates in β ladder)trans-87.2134.5-179.4-53.7167.4000109.7E121 F124 G128 V133 V150 E151 F152E121-I130 HydrophobicContact CB-CD1 4.26Å; E121-I130 HydrophobicContact CG-CD1 4.43Å; E121-I130 VanDerWaalsContact O-CD1 3.23Å; E121-I130 WeakPolarHBondContact O-CD1 2.98Å; F124-I130 HydrophobicContact CB-CD1 3.54Å; F124-I130 HydrophobicContact CB-CG1 4.11Å; G128-I130 PolarHBondContact O-N 3.39Å; I130-V133 HydrophobicContact CG2-CG2 3.54Å; I130-V150 HydrophobicContact CG2-CG1 4.06Å; I130-E151 CarbonylContact C-O 3.43Å; I130-E151 WeakPolarHBondContact CG2-O 3.43Å; I130-F152 HydrophobicContact CG1-CD1 4.36Å; I130-F152 HydrophobicContact CG1-CE1 4.17Å
131R85.1Confident85.3Confident65 Ų6576.3 Ų76.325%0.24539%0.388CS..EExtended strand (participates in β ladder)trans-88.3-46.4175.5-163.5-179.393.3158.6-4.8111.5E151R131-E151 HydrophobicContact CB-CB 4.28Å; R131-E151 HydrophobicContact CB-CG 3.99Å; R131-E151 IonicContact CZ-OE1 2.85Å; R131-E151 IonicContact CZ-OE2 3.4Å; R131-E151 PolarHBondContact N-O 2.83Å; R131-E151 IonicContact NE-OE1 3.47Å; R131-E151 PolarHBondContact NE-OE1 2.87Å; R131-E151 IonicContact NE-OE2 2.82Å; R131-E151 PolarHBondContact NE-OE2 2.82Å; R131-E151 IonicContact NH1-OE1 2.98Å; R131-E151 IonicContact NH2-OE1 3.23Å; R131-E151 PolarHBondContact NH2-OE1 3.46Å; R131-E151 IonicContact NH2-OE2 2.64Å; R131-E151 PolarHBondContact NH2-OE2 2.87Å
132D85.3Confident84.5Confident78 Ų7881.8 Ų81.842%0.41741%0.411SS..EExtended strand (participates in β ladder)trans-157.5151.4-179.9-164.426.6000111.6E151D132-E151 HydrophobicContact CB-CB 4.38Å; D132-E151 PolarHBondContact N-O 2.84Å; D132-E151 PolarHBondContact O-N 3.04Å
133V87.2Confident84Confident3 Ų384 Ų842%0.01841%0.41CS..EExtended strand (participates in β ladder)trans-130120.6175.2178.80000109.2Q117 L120 E121 I130 V150Q117-V133 HydrophobicContact CG-CB 3.75Å; Q117-V133 HydrophobicContact CG-CG1 3.84Å; L120-V133 HydrophobicContact CB-CG1 4.04Å; L120-V133 HydrophobicContact CD1-CG1 3.88Å; E121-V133 HydrophobicContact CG-CB 4.33Å; E121-V133 HydrophobicContact CG-CG2 3.63Å; I130-V133 HydrophobicContact CG2-CG2 3.54Å; V133-V150 HydrophobicContact CG1-CG2 4.23Å; V133-V150 HydrophobicContact CG2-CG1 4.24Å; V133-V150 HydrophobicContact CG2-CG2 4.39Å
134R87.1Confident83.6Confident144 Ų14482.5 Ų82.554%0.54341%0.406SS..EExtended strand (participates in β ladder)trans-116.1104.1-178.8-176.2174-178.2171.90.2111.2A148 Y149R134-A148 CarbonylContact O-C 3.57Å; R134-A148 VanDerWaalsContact O-CA 3.28Å; R134-A148 WeakPolarHBondContact O-CA 3.08Å; R134-Y149 PolarHBondContact N-O 2.65Å; R134-Y149 PolarHBondContact O-N 3.15Å
135L87.1Confident83.3Confident32 Ų3288.1 Ų88.117%0.16843%0.43CS..EExtended strand (participates in β ladder)trans-84.2126.5173-172.168.8000110.5L111 I115 L120 M137 A148L111-L135 HydrophobicContact CD1-CD1 4.24Å; I115-L135 HydrophobicContact CG2-CD1 4Å; I115-L135 HydrophobicContact CG2-CD2 4.46Å; L120-L135 HydrophobicContact CD1-CD1 4.39Å; L135-M137 HydrophobicContact CD2-CG 4.48Å; L135-A148 HydrophobicContact CD1-CB 3.95Å
136I84.9Confident83.1Confident46 Ų4684.3 Ų84.324%0.23641%0.409CS..EExtended strand (participates in β ladder)trans-86123.6173.9-54.8178000109.1K145 I147 Y149I136-K145 HydrophobicContact CG2-CD 3.94Å; I136-K145 HydrophobicContact CG2-CG 4.38Å; I136-K145 PolarHBondContact O-N 2.84Å; I136-I147 HydrophobicContact CB-CD1 4.03Å; I136-I147 HydrophobicContact CB-CG1 3.62Å; I136-I147 HydrophobicContact CD1-CD1 3.52Å; I136-I147 HydrophobicContact CD1-CG1 3.71Å; I136-I147 HydrophobicContact CG1-CD1 4.26Å; I136-I147 HydrophobicContact CG1-CG1 3.98Å; I136-I147 HydrophobicContact CG2-CD1 4.3Å; I136-I147 HydrophobicContact CG2-CG1 4.37Å; I136-I147 PolarHBondContact N-O 2.84Å; I136-Y149 HydrophobicContact CD1-CD2 4.07Å; I136-Y149 HydrophobicContact CD1-CE2 3.47Å; I136-Y149 VanDerWaalsContact CD1-CE2 3.47Å; I136-Y149 HydrophobicContact CG1-CD2 4.42Å; I136-Y149 HydrophobicContact CG1-CE2 4.28Å
137M83.4Confident83.2Confident104 Ų10481.7 Ų81.751%0.51239%0.387SS..EExtended strand (participates in β ladder)trans-110.5152.2174.8-60.6178.1-69.700109.9L135 R143L135-M137 HydrophobicContact CD2-CG 4.48Å; M137-R143 CarbonylContact C-O 3.49Å; M137-R143 WeakPolarHBondContact CA-O 3.29Å
138D79.5Confident83.4Confident46 Ų4680.6 Ų80.625%0.24638%0.38CS..  trans-74.3130172.6177.232.4000110.4K140 T141 K142 R143 K145D138-K140 PolarHBondContact O-N 2.99Å; D138-T141 WeakPolarHBondContact CB-OG1 3.45Å; D138-T141 WeakPolarHBondContact OD2-CB 3.22Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.46Å; D138-T141 PolarHBondContact OD2-N 2.82Å; D138-T141 PolarHBondContact OD2-OG1 2.97Å; D138-K142 VanDerWaalsContact O-CA 3.23Å; D138-K142 WeakPolarHBondContact O-CA 3.23Å; D138-K142 PolarHBondContact O-N 3.48Å; D138-R143 PolarHBondContact N-O 3.03Å; D138-K145 HydrophobicContact CB-CG 4.01Å
139N78Confident83.6Confident157 Ų15782.4 Ų82.484%0.8438%0.382SS*.THydrogen-bonded Turntrans-67.2-28.4-174.6-73-3.9000112.1
140K76.4Confident83.6Confident197 Ų19775.8 Ų75.886%0.85735%0.353SS*.THydrogen-bonded Turntrans-84.5-48.6-178.5-63.7-176.6-179.5-179.20111.7D138D138-K140 PolarHBondContact O-N 2.99Å
141T80.6Confident83.7Confident89 Ų8974.8 Ų74.855%0.54635%0.348SS..THydrogen-bonded Turntrans-93.8-10.7-173.461.20000114.4D138 R143D138-T141 WeakPolarHBondContact CB-OG1 3.45Å; D138-T141 WeakPolarHBondContact OD2-CB 3.22Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.46Å; D138-T141 PolarHBondContact OD2-N 2.82Å; D138-T141 PolarHBondContact OD2-OG1 2.97Å; T141-R143 PolarHBondContact O-N 3.4Å; T141-R143 WeakPolarHBondContact OG1-CB 3.12Å; T141-R143 PolarHBondContact OG1-N 3.41Å
142K74.1Confident83.9Confident182 Ų18271.7 Ų71.779%0.79134%0.336SS*.  trans52.516.5-168.1-62.1-176.2178.3179.60113.7D138D138-K142 VanDerWaalsContact O-CA 3.23Å; D138-K142 WeakPolarHBondContact O-CA 3.23Å; D138-K142 PolarHBondContact O-N 3.48Å
143R76.5Confident84Confident165 Ų16576.1 Ų76.162%0.62335%0.347SS*.  trans-84.8145.5176.3-159.3176.2-160.3166.33.3108.7M137 D138 T141 K145M137-R143 CarbonylContact C-O 3.49Å; M137-R143 WeakPolarHBondContact CA-O 3.29Å; D138-R143 PolarHBondContact N-O 3.03Å; T141-R143 PolarHBondContact O-N 3.4Å; T141-R143 WeakPolarHBondContact OG1-CB 3.12Å; T141-R143 PolarHBondContact OG1-N 3.41Å; R143-K145 PolarHBondContact O-N 3.15Å
144S79.5Confident83.9Confident17 Ų1780.8 Ų80.812%0.11937%0.369CS..EExtended strand (participates in β ladder)trans-62.4135172.751.30000109.6A113 G146A113-S144 VanDerWaalsContact CA-OG 3.31Å; A113-S144 WeakPolarHBondContact CA-OG 3.48Å; A113-S144 PolarHBondContact O-OG 2.86Å; A113-S144 VanDerWaalsContact O-OG 3.07Å; S144-G146 PolarHBondContact O-N 3.15Å; S144-G146 VanDerWaalsContact O-N 3.16Å
145K80.7Confident83.9Confident119 Ų11976.6 Ų76.652%0.51736%0.359SS..EExtended strand (participates in β ladder)trans-757.1175.2-69.6-165.7-179.5-170.60112.7I136 D138 R143 I147I136-K145 HydrophobicContact CG2-CD 3.94Å; I136-K145 HydrophobicContact CG2-CG 4.38Å; I136-K145 PolarHBondContact O-N 2.84Å; D138-K145 HydrophobicContact CB-CG 4.01Å; R143-K145 PolarHBondContact O-N 3.15Å; K145-I147 HydrophobicContact CB-CD1 4.32Å; K145-I147 HydrophobicContact CB-CG1 4.1Å; K145-I147 PolarHBondContact O-N 3.26Å
146G83.8Confident83.9Confident10 Ų1081.6 Ų81.610%0.10338%0.381CS..EExtended strand (participates in β ladder)trans69.116.7-174.400000113.9W109 Q110 L111 S144W109-G146 CarbonylContact C-O 3.55Å; W109-G146 WeakPolarHBondContact CA-O 3.27Å; Q110-G146 PolarHBondContact N-O 2.72Å; L111-G146 PolarHBondContact N-O 3.43Å; L111-G146 WeakPolarHBondContact O-CA 3.32Å; S144-G146 PolarHBondContact O-N 3.15Å; S144-G146 VanDerWaalsContact O-N 3.16Å
147I89.6Confident84.1Confident41 Ų4179.7 Ų79.721%0.2137%0.372CS..EExtended strand (participates in β ladder)trans-129.6141.718070.8-173.4000111.3F107 V108 W109 I136 K145F107-I147 HydrophobicContact CE2-CB 3.84Å; F107-I147 HydrophobicContact CE2-CD1 4.44Å; F107-I147 HydrophobicContact CE2-CG1 4.45Å; F107-I147 HydrophobicContact CE2-CG2 4.32Å; F107-I147 HydrophobicContact CZ-CB 3.98Å; F107-I147 HydrophobicContact CZ-CG2 3.93Å; V108-I147 CarbonylContact O-C 3.35Å; V108-I147 VanDerWaalsContact O-CA 3.27Å; V108-I147 WeakPolarHBondContact O-CA 3.37Å; W109-I147 HydrophobicContact CB-CB 4.47Å; W109-I147 HydrophobicContact CB-CG2 3.75Å; I136-I147 HydrophobicContact CB-CD1 4.03Å; I136-I147 HydrophobicContact CB-CG1 3.62Å; I136-I147 HydrophobicContact CD1-CD1 3.52Å; I136-I147 HydrophobicContact CD1-CG1 3.71Å; I136-I147 HydrophobicContact CG1-CD1 4.26Å; I136-I147 HydrophobicContact CG1-CG1 3.98Å; I136-I147 HydrophobicContact CG2-CD1 4.3Å; I136-I147 HydrophobicContact CG2-CG1 4.37Å; I136-I147 PolarHBondContact N-O 2.84Å; K145-I147 HydrophobicContact CB-CD1 4.32Å; K145-I147 HydrophobicContact CB-CG1 4.1Å; K145-I147 PolarHBondContact O-N 3.26Å
148A89Confident84.2Confident0 Ų075 Ų750%035%0.35CS..EExtended strand (participates in β ladder)trans-142.9154.6179.200000111V108 L111 L120 R134 L135V108-A148 PolarHBondContact N-O 3.19Å; V108-A148 PolarHBondContact O-N 3.38Å; L111-A148 HydrophobicContact CD1-CB 3.58Å; L120-A148 HydrophobicContact CD1-CB 3.61Å; R134-A148 CarbonylContact O-C 3.57Å; R134-A148 VanDerWaalsContact O-CA 3.28Å; R134-A148 WeakPolarHBondContact O-CA 3.08Å; L135-A148 HydrophobicContact CD1-CB 3.95Å
149Y90.6Very high84.5Confident55 Ų5578.7 Ų78.722%0.21637%0.365CS..EExtended strand (participates in β ladder)trans-111.6130.7166.2-65.4-84.4000108.6V106 F107 R134 I136 A181V106-Y149 WeakPolarHBondContact O-CA 3.11Å; F107-Y149 HydrophobicContact CB-CD1 4.29Å; F107-Y149 HydrophobicContact CB-CE1 4.11Å; F107-Y149 AromaticContact CD2-CD1 3.93Å; F107-Y149 HydrophobicContact CD2-CD1 3.93Å; F107-Y149 AromaticContact CD2-CE1 3.44Å; F107-Y149 HydrophobicContact CD2-CE1 3.44Å; F107-Y149 VanDerWaalsContact CD2-CE1 3.44Å; F107-Y149 HydrophobicContact CD2-CE2 4.29Å; F107-Y149 AromaticContact CD2-CZ 3.64Å; F107-Y149 HydrophobicContact CE2-CE1 4.25Å; F107-Y149 HydrophobicContact CE2-CE2 4.45Å; F107-Y149 AromaticContact CE2-CZ 3.98Å; F107-Y149 HydrophobicContact CG-CE1 4.15Å; R134-Y149 PolarHBondContact N-O 2.65Å; R134-Y149 PolarHBondContact O-N 3.15Å; I136-Y149 HydrophobicContact CD1-CD2 4.07Å; I136-Y149 HydrophobicContact CD1-CE2 3.47Å; I136-Y149 VanDerWaalsContact CD1-CE2 3.47Å; I136-Y149 HydrophobicContact CG1-CD2 4.42Å; I136-Y149 HydrophobicContact CG1-CE2 4.28Å; Y149-A181 HydrophobicContact CD1-CB 4.17Å; Y149-A181 HydrophobicContact CE1-CB 3.79Å
150V89.9Confident85Confident0 Ų076.6 Ų76.60%035%0.354CS..EExtended strand (participates in β ladder)trans-118.6121.4178178.50000107.5T105 V106 V108 F124 I130 V133 F152T105-V150 CarbonylContact C-O 3.54Å; T105-V150 VanDerWaalsContact CA-O 3.29Å; T105-V150 WeakPolarHBondContact CA-O 3.34Å; V106-V150 HydrophobicContact CG2-CB 3.75Å; V106-V150 HydrophobicContact CG2-CG1 4.44Å; V106-V150 PolarHBondContact N-O 3.33Å; V106-V150 PolarHBondContact O-N 3Å; V108-V150 HydrophobicContact CG2-CG2 4Å; F124-V150 HydrophobicContact CB-CG1 4.36Å; F124-V150 HydrophobicContact CD2-CB 4.43Å; F124-V150 HydrophobicContact CD2-CG1 4.05Å; F124-V150 HydrophobicContact CD2-CG2 3.85Å; F124-V150 HydrophobicContact CE2-CG2 3.82Å; F124-V150 HydrophobicContact CG-CG1 4.2Å; I130-V150 HydrophobicContact CG2-CG1 4.06Å; V133-V150 HydrophobicContact CG1-CG2 4.23Å; V133-V150 HydrophobicContact CG2-CG1 4.24Å; V133-V150 HydrophobicContact CG2-CG2 4.39Å; V150-F152 HydrophobicContact CG1-CE1 4.46Å; V150-F152 HydrophobicContact CG1-CE2 4.02Å; V150-F152 HydrophobicContact CG1-CZ 3.96Å
151E88.9Confident85.5Confident20 Ų2067.2 Ų67.29%0.09331%0.313CS..EExtended strand (participates in β ladder)trans-100.8124177.8-172.1168.2-162.200110.2T105 I130 R131 D132T105-E151 HydrophobicContact CG2-CB 3.65Å; T105-E151 HydrophobicContact CG2-CG 3.6Å; I130-E151 CarbonylContact C-O 3.43Å; I130-E151 WeakPolarHBondContact CG2-O 3.43Å; R131-E151 HydrophobicContact CB-CB 4.28Å; R131-E151 HydrophobicContact CB-CG 3.99Å; R131-E151 IonicContact CZ-OE1 2.85Å; R131-E151 IonicContact CZ-OE2 3.4Å; R131-E151 PolarHBondContact N-O 2.83Å; R131-E151 IonicContact NE-OE1 3.47Å; R131-E151 PolarHBondContact NE-OE1 2.87Å; R131-E151 IonicContact NE-OE2 2.82Å; R131-E151 PolarHBondContact NE-OE2 2.82Å; R131-E151 IonicContact NH1-OE1 2.98Å; R131-E151 IonicContact NH2-OE1 3.23Å; R131-E151 PolarHBondContact NH2-OE1 3.46Å; R131-E151 IonicContact NH2-OE2 2.64Å; R131-E151 PolarHBondContact NH2-OE2 2.87Å; D132-E151 HydrophobicContact CB-CB 4.38Å; D132-E151 PolarHBondContact N-O 2.84Å; D132-E151 PolarHBondContact O-N 3.04Å
152F90.3Very high85.8Confident0 Ų065 Ų650%030%0.298CS..EExtended strand (participates in β ladder)trans-92.1158174.5-67.2-81.8000111.8R104 V106 F124 I130 V150 E154 A158 A161R104-F152 WeakPolarHBondContact CB-O 3.27Å; R104-F152 PolarHBondContact O-N 3.23Å; V106-F152 HydrophobicContact CB-CE2 4.49Å; V106-F152 HydrophobicContact CG1-CD2 4.42Å; V106-F152 HydrophobicContact CG1-CE2 4.02Å; V106-F152 HydrophobicContact CG2-CD2 4.45Å; V106-F152 HydrophobicContact CG2-CE2 3.65Å; F124-F152 HydrophobicContact CB-CE1 4.01Å; F124-F152 HydrophobicContact CB-CZ 3.97Å; F124-F152 HydrophobicContact CD1-CE1 4.44Å; F124-F152 AromaticContact CD1-CZ 3.66Å; F124-F152 HydrophobicContact CD1-CZ 3.66Å; F124-F152 HydrophobicContact CE1-CZ 4.42Å; F124-F152 AromaticContact CG-CZ 3.99Å; F124-F152 HydrophobicContact CG-CZ 3.99Å; I130-F152 HydrophobicContact CG1-CD1 4.36Å; I130-F152 HydrophobicContact CG1-CE1 4.17Å; V150-F152 HydrophobicContact CG1-CE1 4.46Å; V150-F152 HydrophobicContact CG1-CE2 4.02Å; V150-F152 HydrophobicContact CG1-CZ 3.96Å; F152-E154 WeakPolarHBondContact CB-O 3.36Å; F152-A158 HydrophobicContact CD2-CB 3.9Å; F152-A161 HydrophobicContact CE2-CB 3.69Å; F152-A161 HydrophobicContact CZ-CB 3.66Å
153R87.3Confident86.5Confident172 Ų17259.6 Ų59.665%0.64929%0.293SS*.SBendtrans-74.1-32.4171.1-167.8177.7-176.5166.9-0.2111.8K129K129-R153 HydrophobicContact CB-CB 4.15Å; K129-R153 WeakPolarHBondContact O-CB 3.32Å; K129-R153 PolarHBondContact O-N 3.39Å
154E85.8Confident86.9Confident101 Ų10153.9 Ų53.947%0.47228%0.275SS..SBendtrans-114.9147.8-177.1-68.2174.5-169.400110.5F152F152-E154 WeakPolarHBondContact CB-O 3.36Å
155V85.8Confident87.3Confident55 Ų5555.7 Ų55.733%0.33329%0.285SS..Hα-helixtrans-71.4-36.8178.1-175.60000110.4R104 S157 A158 Q159R104-V155 HydrophobicContact CG-CB 4.29Å; R104-V155 HydrophobicContact CG-CG2 3.57Å; V155-S157 VanDerWaalsContact C-N 3.34Å; V155-S157 PolarHBondContact O-N 3.22Å; V155-A158 WeakPolarHBondContact O-CB 3.19Å; V155-A158 PolarHBondContact O-N 3.27Å; V155-A158 VanDerWaalsContact O-N 3.12Å; V155-Q159 PolarHBondContact O-N 2.87Å
156E87.8Confident87.4Confident138 Ų13852 Ų5265%0.64528%0.28SS*.Hα-helixtrans-62.6-39.9179.3-61.9-176.8178.800111.8A158 Q159 L160E156-A158 PolarHBondContact O-N 2.79Å; E156-Q159 PolarHBondContact O-N 3.06Å; E156-Q159 VanDerWaalsContact O-N 3.11Å; E156-L160 WeakPolarHBondContact O-CG 3.14Å; E156-L160 PolarHBondContact O-N 3.3Å
157S88Confident87.6Confident5 Ų553.6 Ų53.64%0.03529%0.289CS..Hα-helixtrans-61.1-33.7175.2-520000112.6V127 V155 A161V127-S157 VanDerWaalsContact CG1-O 3.22Å; V127-S157 WeakPolarHBondContact CG1-O 3.47Å; V155-S157 VanDerWaalsContact C-N 3.34Å; V155-S157 PolarHBondContact O-N 3.22Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.26Å
158A85.9Confident87.3Confident6 Ų660.8 Ų60.85%0.0531%0.313CS..Hα-helixtrans-67.8-37.817600000111.6V106 F152 V155 E156 A161 L162V106-A158 HydrophobicContact CG1-CB 3.94Å; F152-A158 HydrophobicContact CD2-CB 3.9Å; V155-A158 WeakPolarHBondContact O-CB 3.19Å; V155-A158 PolarHBondContact O-N 3.27Å; V155-A158 VanDerWaalsContact O-N 3.12Å; E156-A158 PolarHBondContact O-N 2.79Å; A158-A161 PolarHBondContact O-N 2.79Å; A158-L162 PolarHBondContact O-N 2.98Å
159Q86.4Confident86.9Confident123 Ų12361.6 Ų61.658%0.57532%0.317SS*.Hα-helixtrans-69.1-43.8175.2-67.7178.7-7.100111.9V155 E156 A161 L162V155-Q159 PolarHBondContact O-N 2.87Å; E156-Q159 PolarHBondContact O-N 3.06Å; E156-Q159 VanDerWaalsContact O-N 3.11Å; Q159-A161 PolarHBondContact O-N 3.42Å; Q159-L162 WeakPolarHBondContact O-CB 3.3Å; Q159-L162 PolarHBondContact O-N 3.27Å
160L87.5Confident86.4Confident113 Ų11364 Ų6459%0.59233%0.333SS*.Hα-helixtrans-61.5-34.5175.3-68.3174.8000111.8V127 E156 L162 G163V127-L160 HydrophobicContact CG1-CB 3.4Å; E156-L160 WeakPolarHBondContact O-CG 3.14Å; E156-L160 PolarHBondContact O-N 3.3Å; L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 PolarHBondContact O-N 3.37Å; L160-G163 PolarHBondContact O-N 3.16Å; L160-G163 VanDerWaalsContact O-N 3.1Å
161A87.9Confident86Confident0 Ų066.2 Ų66.20%036%0.357CS..Hα-helixtrans-64.9-31.317800000112.4V106 F124 V127 F152 S157 A158 Q159 G163 L164 I176V106-A161 HydrophobicContact CG1-CB 4.27Å; F124-A161 HydrophobicContact CD1-CB 4.14Å; F124-A161 HydrophobicContact CE1-CB 3.98Å; V127-A161 HydrophobicContact CG1-CB 4.1Å; F152-A161 HydrophobicContact CE2-CB 3.69Å; F152-A161 HydrophobicContact CZ-CB 3.66Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.26Å; A158-A161 PolarHBondContact O-N 2.79Å; Q159-A161 PolarHBondContact O-N 3.42Å; A161-G163 PolarHBondContact O-N 2.8Å; A161-L164 PolarHBondContact O-N 2.92Å; A161-I176 WeakPolarHBondContact O-CD1 3.4Å
162L87Confident85.7Confident44 Ų4467.5 Ų67.523%0.2337%0.365CS..Hα-helixtrans-60.9-31.4174.5-61.8166.4000111.8A158 Q159 L160 L164 T165 I176 Q178A158-L162 PolarHBondContact O-N 2.98Å; Q159-L162 WeakPolarHBondContact O-CB 3.3Å; Q159-L162 PolarHBondContact O-N 3.27Å; L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 PolarHBondContact O-N 3.37Å; L162-L164 PolarHBondContact O-N 3.14Å; L162-T165 VanDerWaalsContact O-CB 3.32Å; L162-T165 WeakPolarHBondContact O-CB 3.49Å; L162-T165 PolarHBondContact O-N 3.18Å; L162-T165 PolarHBondContact O-OG1 3.01Å; L162-I176 HydrophobicContact CD2-CG2 4.2Å; L162-Q178 HydrophobicContact CD1-CG 3.64Å; L162-Q178 HydrophobicContact CD2-CG 4.02Å; L162-Q178 HydrophobicContact CG-CG 4.42Å
163G87.6Confident85.6Confident68 Ų6869.4 Ų69.470%0.70138%0.378SS*.THydrogen-bonded Turntrans-68.5-16.917600000114.2L160 A161 T165L160-G163 PolarHBondContact O-N 3.16Å; L160-G163 VanDerWaalsContact O-N 3.1Å; A161-G163 PolarHBondContact O-N 2.8Å; G163-T165 VanDerWaalsContact C-N 3.26Å; G163-T165 PolarHBondContact O-N 2.77Å
164L85.4Confident85.7Confident45 Ų4561.3 Ų61.324%0.23635%0.347CS..THydrogen-bonded Turntrans-85.85.6175.4-62.9-170.1000113.5F123 V127 A161 L162 G166 T167 I176F123-L164 HydrophobicContact CE1-CB 4.2Å; F123-L164 HydrophobicContact CE1-CD1 3.68Å; F123-L164 HydrophobicContact CZ-CB 4.17Å; F123-L164 HydrophobicContact CZ-CD1 3.75Å; V127-L164 HydrophobicContact CG2-CD1 3.2Å; V127-L164 HydrophobicContact CG2-CG 4.04Å; A161-L164 PolarHBondContact O-N 2.92Å; L162-L164 PolarHBondContact O-N 3.14Å; L164-G166 PolarHBondContact O-N 3.39Å; L164-T167 HydrophobicContact CB-CG2 4.28Å; L164-T167 HydrophobicContact CD2-CG2 4.36Å; L164-T167 WeakPolarHBondContact O-CB 3.48Å; L164-T167 VanDerWaalsContact O-CG2 3.27Å; L164-T167 WeakPolarHBondContact O-CG2 3.4Å; L164-T167 PolarHBondContact O-N 3.45Å; L164-T167 PolarHBondContact O-OG1 3.16Å; L164-I176 HydrophobicContact CB-CD1 3.9Å
165T88.4Confident85.9Confident55 Ų5559.2 Ų59.234%0.33734%0.338SS..THydrogen-bonded Turntrans-58.1130.6174.6-62.10000110.8L162 G163 I176L162-T165 VanDerWaalsContact O-CB 3.32Å; L162-T165 WeakPolarHBondContact O-CB 3.49Å; L162-T165 PolarHBondContact O-N 3.18Å; L162-T165 PolarHBondContact O-OG1 3.01Å; G163-T165 VanDerWaalsContact C-N 3.26Å; G163-T165 PolarHBondContact O-N 2.77Å; T165-I176 WeakPolarHBondContact OG1-CB 3.43Å; T165-I176 PolarHBondContact OG1-N 2.91Å; T165-I176 PolarHBondContact OG1-O 3.13Å
166G83.5Confident86.1Confident40 Ų4057.1 Ų57.141%0.41232%0.324SS..THydrogen-bonded Turntrans92.6-5.9-177.900000115L164 I174L164-G166 PolarHBondContact O-N 3.39Å; G166-I174 PolarHBondContact N-O 3.34Å
167T86Confident86.1Confident45 Ų4555.3 Ų55.328%0.27632%0.316SS..  trans-66.4139.1173.853.20000110.8F123 L164 L169 P173 I174F123-T167 HydrophobicContact CZ-CG2 4.35Å; F123-T167 WeakPolarHBondContact CZ-OG1 3.46Å; L164-T167 HydrophobicContact CB-CG2 4.28Å; L164-T167 HydrophobicContact CD2-CG2 4.36Å; L164-T167 WeakPolarHBondContact O-CB 3.48Å; L164-T167 VanDerWaalsContact O-CG2 3.27Å; L164-T167 WeakPolarHBondContact O-CG2 3.4Å; L164-T167 PolarHBondContact O-N 3.45Å; L164-T167 PolarHBondContact O-OG1 3.16Å; T167-L169 PolarHBondContact O-N 3.38Å; T167-P173 WeakPolarHBondContact O-CA 3.3Å; T167-I174 WeakPolarHBondContact O-CG1 3.2Å; T167-I174 PolarHBondContact O-N 2.79Å; T167-I174 WeakPolarHBondContact OG1-CD1 3.4Å; T167-I174 WeakPolarHBondContact OG1-CG1 3.4Å
168R84.2Confident86Confident192 Ų19260.5 Ų60.573%0.72534%0.34SS*.EExtended strand (participates in β ladder)trans-86.3113.6-177.1-70.2-179.6179-116.37.4110.6G171 V172 P173R168-G171 PolarHBondContact NH1-O 3.23Å; R168-V172 WeakPolarHBondContact CA-O 3.35Å; R168-P173 HydrophobicContact CG-CB 4.49Å
169L81.6Confident85.3Confident16 Ų1660.6 Ų60.68%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-109.6119.2172.8-165.6150.6000108.9I115 F123 T167 G171 V172 I174I115-L169 HydrophobicContact CD1-CD1 4.43Å; I115-L169 HydrophobicContact CD1-CD2 3.29Å; I115-L169 HydrophobicContact CD1-CG 4.47Å; I115-L169 HydrophobicContact CG1-CD2 3.77Å; F123-L169 HydrophobicContact CB-CD1 3.64Å; F123-L169 HydrophobicContact CD1-CD1 4.18Å; F123-L169 HydrophobicContact CD2-CD1 3.74Å; F123-L169 HydrophobicContact CE2-CD1 4.49Å; F123-L169 HydrophobicContact CG-CD1 3.56Å; T167-L169 PolarHBondContact O-N 3.38Å; L169-G171 PolarHBondContact O-N 2.87Å; L169-V172 PolarHBondContact N-O 2.82Å; L169-V172 PolarHBondContact O-N 2.78Å; L169-I174 HydrophobicContact CB-CG2 3.56Å
170L79.7Confident84.5Confident105 Ų10559.6 Ų59.655%0.5534%0.335SS..THydrogen-bonded Turntrans5335.3-171.8-60.1171.9000113.4V172L170-V172 VanDerWaalsContact C-N 3.34Å; L170-V172 PolarHBondContact O-N 3.18Å
171G80.2Confident83.1Confident48 Ų4854.8 Ų54.850%0.49531%0.312SS..THydrogen-bonded Turntrans87.4-10.2177.400000115.6R168 L169R168-G171 PolarHBondContact NH1-O 3.23Å; L169-G171 PolarHBondContact O-N 2.87Å
172V84.1Confident81.8Confident46 Ų4657.9 Ų57.928%0.27933%0.326SS..EExtended strand (participates in β ladder)trans-102.8129.1179.6-173.90000109.5Q110 R168 L169 L170 I174Q110-V172 HydrophobicContact CG-CG1 4.2Å; Q110-V172 WeakPolarHBondContact O-CG1 3.36Å; R168-V172 WeakPolarHBondContact CA-O 3.35Å; L169-V172 PolarHBondContact N-O 2.82Å; L169-V172 PolarHBondContact O-N 2.78Å; L170-V172 VanDerWaalsContact C-N 3.34Å; L170-V172 PolarHBondContact O-N 3.18Å; V172-I174 PolarHBondContact O-N 2.89Å
173P87.1Confident80.4Confident41 Ų4163 Ų6327%0.26635%0.347SS..EExtended strand (participates in β ladder)trans-67.8121.8174.227.5-31.8000109.9Q110 T167 R168Q110-P173 PolarHBondContact NE2-O 3.02Å; T167-P173 WeakPolarHBondContact O-CA 3.3Å; R168-P173 HydrophobicContact CG-CB 4.49Å
174I90.4Very high78.9Confident1 Ų164.7 Ų64.71%0.00534%0.34CS..PPolyproline II helixtrans-81.5148179.770.3-178.2000110.4V108 L111 F123 G166 T167 L169 V172 I176V108-I174 HydrophobicContact CG1-CB 4.41Å; L111-I174 HydrophobicContact CD2-CB 4.17Å; L111-I174 HydrophobicContact CD2-CG2 3.66Å; F123-I174 HydrophobicContact CD1-CD1 3.99Å; F123-I174 HydrophobicContact CE1-CD1 3.33Å; F123-I174 HydrophobicContact CZ-CD1 3.65Å; G166-I174 PolarHBondContact N-O 3.34Å; T167-I174 WeakPolarHBondContact O-CG1 3.2Å; T167-I174 PolarHBondContact O-N 2.79Å; T167-I174 WeakPolarHBondContact OG1-CD1 3.4Å; T167-I174 WeakPolarHBondContact OG1-CG1 3.4Å; L169-I174 HydrophobicContact CB-CG2 3.56Å; V172-I174 PolarHBondContact O-N 2.89Å; I174-I176 HydrophobicContact CD1-CD1 3.89Å; I174-I176 HydrophobicContact CD1-CG1 4.3Å; I174-I176 HydrophobicContact CG1-CD1 4.24Å; I174-I176 HydrophobicContact CG1-CG1 4.3Å
175Q89.4Confident77.7Confident58 Ų5868.6 Ų68.627%0.27135%0.351SS..EExtended strand (participates in β ladder)trans-115.7130175.2-67.4-65.8-39.500109.7V108 W109 Q110V108-Q175 CarbonylContact C-O 3.54Å; V108-Q175 VanDerWaalsContact CA-O 3.3Å; V108-Q175 WeakPolarHBondContact CA-O 2.92Å; W109-Q175 HydrophobicContact CD2-CB 4.36Å; W109-Q175 HydrophobicContact CG-CB 4.09Å; W109-Q175 PolarHBondContact N-O 2.9Å; W109-Q175 PolarHBondContact O-N 3.45Å; Q110-Q175 HydrophobicContact CB-CB 4.43Å; Q110-Q175 HydrophobicContact CB-CG 4.17Å
176I90.4Very high76Confident10 Ų1069.4 Ų69.45%0.05136%0.356CS..EExtended strand (participates in β ladder)trans-124.6127.5-174.5-52165.8000108.6V106 F107 V108 F124 A161 L162 L164 T165 I174V106-I176 HydrophobicContact CB-CG2 3.84Å; V106-I176 HydrophobicContact CG1-CG2 4.3Å; V106-I176 HydrophobicContact CG2-CG2 4.06Å; F107-I176 WeakPolarHBondContact O-CA 3.22Å; V108-I176 HydrophobicContact CG1-CG1 4.16Å; V108-I176 HydrophobicContact CG2-CG1 4.33Å; V108-I176 HydrophobicContact CG2-CG2 4.4Å; F124-I176 HydrophobicContact CE1-CD1 3.68Å; F124-I176 HydrophobicContact CZ-CD1 3.72Å; F124-I176 HydrophobicContact CZ-CG1 4.18Å; A161-I176 WeakPolarHBondContact O-CD1 3.4Å; L162-I176 HydrophobicContact CD2-CG2 4.2Å; L164-I176 HydrophobicContact CB-CD1 3.9Å; T165-I176 WeakPolarHBondContact OG1-CB 3.43Å; T165-I176 PolarHBondContact OG1-N 2.91Å; T165-I176 PolarHBondContact OG1-O 3.13Å; I174-I176 HydrophobicContact CD1-CD1 3.89Å; I174-I176 HydrophobicContact CD1-CG1 4.3Å; I174-I176 HydrophobicContact CG1-CD1 4.24Å; I174-I176 HydrophobicContact CG1-CG1 4.3Å
177Q87.6Confident74.4Confident101 Ų10171.7 Ų71.747%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-132.6157.4179.4-169.6172.20.100109.7V106 F107 S179V106-Q177 CarbonylContact C-O 3.56Å; V106-Q177 WeakPolarHBondContact CA-O 3.33Å; F107-Q177 PolarHBondContact N-O 3.22Å; F107-Q177 PolarHBondContact O-N 2.76Å; Q177-S179 PolarHBondContact O-N 3.35Å
178Q84.8Confident72.8Confident114 Ų11473.2 Ų73.253%0.53338%0.383SS..EExtended strand (participates in β ladder)trans-61.5136.5170.4-66.8179.610.500109.7L162L162-Q178 HydrophobicContact CD1-CG 3.64Å; L162-Q178 HydrophobicContact CD2-CG 4.02Å; L162-Q178 HydrophobicContact CG-CG 4.42Å
179S72.5Confident71Confident8 Ų867 Ų676%0.05637%0.366CS..  trans-73130.8-179.8174.90000110.8T105 Q177 A181T105-S179 WeakPolarHBondContact O-CB 3.28Å; T105-S179 PolarHBondContact O-N 2.83Å; T105-S179 VanDerWaalsContact O-N 3.15Å; T105-S179 WeakPolarHBondContact OG1-CB 3.25Å; T105-S179 PolarHBondContact OG1-OG 2.94Å; Q177-S179 PolarHBondContact O-N 3.35Å; S179-A181 WeakPolarHBondContact OG-CB 3.16Å; S179-A181 PolarHBondContact OG-N 3.18Å; S179-A181 VanDerWaalsContact OG-N 3.16Å
180H69.1Low69.3Low101 Ų10172.7 Ų72.747%0.46840%0.404SS..  trans-107.833164.7-64.4-56.2000110.7E182 K183 N184H180-E182 VanDerWaalsContact C-N 3.3Å; H180-E182 PolarHBondContact O-N 2.63Å; H180-K183 PolarHBondContact O-N 2.68Å; H180-N184 PolarHBondContact O-N 3.11Å
181A58.6Low67.2Low13 Ų1371.4 Ų71.411%0.10740%0.404CS..Hα-helixtrans-60.9-34.1-170.600000113.1Y149 S179 N184 R185Y149-A181 HydrophobicContact CD1-CB 4.17Å; Y149-A181 HydrophobicContact CE1-CB 3.79Å; S179-A181 WeakPolarHBondContact OG-CB 3.16Å; S179-A181 PolarHBondContact OG-N 3.18Å; S179-A181 VanDerWaalsContact OG-N 3.16Å; A181-N184 PolarHBondContact O-N 3.18Å; A181-R185 WeakPolarHBondContact O-CB 3.27Å; A181-R185 PolarHBondContact O-N 2.88Å
182E61.3Low65.5Low64 Ų6476.3 Ų76.330%0.29942%0.418SS..Hα-helixtrans-72.2-40.3179.1-164.457.6-148.800111.6D102 H180 N184 R185 V186D102-E182 WeakPolarHBondContact OD2-CA 3.46Å; D102-E182 WeakPolarHBondContact OD2-CB 3.3Å; D102-E182 PolarHBondContact OD2-N 3.15Å; H180-E182 VanDerWaalsContact C-N 3.3Å; H180-E182 PolarHBondContact O-N 2.63Å; E182-N184 PolarHBondContact O-N 2.64Å; E182-R185 PolarHBondContact O-N 2.5Å; E182-V186 WeakPolarHBondContact O-CG2 3.24Å; E182-V186 PolarHBondContact O-N 3.06Å
183K56.7Low63.3Low152 Ų15280.2 Ų80.266%0.66144%0.444SS*.Hα-helixtrans-57.9-33.9173-70.3-176.6178.1-173.80112.4H180 V186 S187H180-K183 PolarHBondContact O-N 2.68Å; K183-V186 WeakPolarHBondContact O-CG2 3.32Å; K183-S187 PolarHBondContact O-OG 3.13Å
184N57Low60.9Low103 Ų10384.5 Ų84.555%0.55146%0.455SS*.Hα-helixtrans-83.3-31173.9-90.7-22.3000113.6H180 A181 E182 S187 A188H180-N184 PolarHBondContact O-N 3.11Å; A181-N184 PolarHBondContact O-N 3.18Å; E182-N184 PolarHBondContact O-N 2.64Å; N184-S187 PolarHBondContact O-N 3.21Å; N184-A188 WeakPolarHBondContact O-CB 3.41Å; N184-A188 PolarHBondContact O-N 3.25Å; N184-A188 VanDerWaalsContact O-N 3.13Å
185R59.1Low58.2Low127 Ų12790 Ų9048%0.47949%0.491SS..Hα-helixtrans-73.2-38.1179.6-165.3179.4-74.5-175.42.7111.3A181 E182 S187 A188 T189A181-R185 WeakPolarHBondContact O-CB 3.27Å; A181-R185 PolarHBondContact O-N 2.88Å; E182-R185 PolarHBondContact O-N 2.5Å; R185-S187 PolarHBondContact O-N 3.26Å; R185-A188 PolarHBondContact O-N 2.68Å; R185-A188 VanDerWaalsContact O-N 3.13Å; R185-T189 PolarHBondContact O-N 2.8Å
186V52.4Low55.9Low73 Ų7390 Ų9044%0.44250%0.498SS..Hα-helixtrans-65.1-17.9169.5-63.30000112.3E182 K183 R194E182-V186 WeakPolarHBondContact O-CG2 3.24Å; E182-V186 PolarHBondContact O-N 3.06Å; K183-V186 WeakPolarHBondContact O-CG2 3.32Å; V186-R194 PolarHBondContact O-NH1 2.97Å; V186-R194 PolarHBondContact O-NH2 2.82Å
187S51Low53.6Low87 Ų8798.5 Ų98.561%0.60854%0.537SS*.Hα-helixtrans-90.4-18.8173.5-62.50000113.1K183 N184 R185K183-S187 PolarHBondContact O-OG 3.13Å; N184-S187 PolarHBondContact O-N 3.21Å; R185-S187 PolarHBondContact O-N 3.26Å
188A52.8Low51.6Low77 Ų7796.7 Ų96.764%0.63653%0.529SS*.Hα-helixtrans-111.55.2-171.800000115.3N184 R185 P190N184-A188 WeakPolarHBondContact O-CB 3.41Å; N184-A188 PolarHBondContact O-N 3.25Å; N184-A188 VanDerWaalsContact O-N 3.13Å; R185-A188 PolarHBondContact O-N 2.68Å; R185-A188 VanDerWaalsContact O-N 3.13Å; A188-P190 VanDerWaalsContact O-CD 3.26Å; A188-P190 WeakPolarHBondContact O-CD 3.24Å
189T46.1Very low49.8Very low61 Ų6196 Ų9637%0.37453%0.529SS..  trans-79.1114.617045.60000110.9R185 S191 R194R185-T189 PolarHBondContact O-N 2.8Å; T189-S191 PolarHBondContact O-N 3.26Å; T189-R194 PolarHBondContact O-NH2 3.07Å; T189-R194 PolarHBondContact OG1-NH2 2.79Å
190P45.4Very low48.9Very low137 Ų137105.5 Ų105.589%0.8956%0.563SS**  trans-90.437173.838.2-30.9000111A188A188-P190 VanDerWaalsContact O-CD 3.26Å; A188-P190 WeakPolarHBondContact O-CD 3.24Å
191S36.1Very low48.5Very low77 Ų77102.1 Ų102.154%0.53856%0.556SS.*  trans-139.6129.9-175.650.90000112T189T189-S191 PolarHBondContact O-N 3.26Å
192L43.9Very low49Very low151 Ų151105.7 Ų105.779%0.79158%0.578SS**SBendtrans80.6129.4-167.8-68.191.9000114.4R194L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 3.19Å
193P38Very low49.8Very low128 Ų128103.8 Ų103.883%0.83157%0.569SS**  trans-62.1103.8166.828.6-28.8000104.9
194R36Very low51.4Low131 Ų13199.2 Ų99.249%0.49455%0.549SS..  trans-50.7132.8160-63.5172-155.7-151.5-3.1103.9V186 T189 L192 S196V186-R194 PolarHBondContact O-NH1 2.97Å; V186-R194 PolarHBondContact O-NH2 2.82Å; T189-R194 PolarHBondContact O-NH2 3.07Å; T189-R194 PolarHBondContact OG1-NH2 2.79Å; L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 3.19Å; R194-S196 PolarHBondContact O-N 3.13Å
195P35Very low53Low117 Ų11794.3 Ų94.376%0.7652%0.523SS*.  trans-56106.9147.928.5-26.3000101.4Q197P195-Q197 PolarHBondContact O-N 2.84Å; P195-Q197 VanDerWaalsContact O-N 3.11Å
196S39.5Very low54.6Low59 Ų5991.9 Ų91.941%0.41351%0.514SS..  trans-40130.2143.5420000102.9R194 Q198R194-S196 PolarHBondContact O-N 3.13Å; S196-Q198 VanDerWaalsContact CB-N 3.31Å; S196-Q198 PolarHBondContact O-N 2.78Å; S196-Q198 WeakPolarHBondContact OG-CB 3.37Å; S196-Q198 VanDerWaalsContact OG-CD 3.31Å; S196-Q198 WeakPolarHBondContact OG-CG 3.41Å; S196-Q198 PolarHBondContact OG-OE1 2.91Å
197Q43.7Very low56.5Low187 Ų18788.4 Ų88.487%0.87449%0.493SS*.  trans-62.456.8145.1-77.5171.7-23.400106.7P195 N199P195-Q197 PolarHBondContact O-N 2.84Å; P195-Q197 VanDerWaalsContact O-N 3.11Å; Q197-N199 PolarHBondContact O-N 2.76Å
198Q43.6Very low58.3Low64 Ų6484.3 Ų84.330%0.29947%0.465SS..  trans-44.3105.6131.1-93.9172.8-9.300102.1S196 R200 D255S196-Q198 VanDerWaalsContact CB-N 3.31Å; S196-Q198 PolarHBondContact O-N 2.78Å; S196-Q198 WeakPolarHBondContact OG-CB 3.37Å; S196-Q198 VanDerWaalsContact OG-CD 3.31Å; S196-Q198 WeakPolarHBondContact OG-CG 3.41Å; S196-Q198 PolarHBondContact OG-OE1 2.91Å; Q198-R200 HydrophobicContact CB-CG 3.77Å; Q198-R200 PolarHBondContact O-N 2.82Å; Q198-D255 PolarHBondContact NE2-OD2 2.89Å
199N48.9Very low60Low99 Ų9981.9 Ų81.953%0.52944%0.444SS..  trans-51.475.6157.1-84.4-13.2000107Q197 G201 S254Q197-N199 PolarHBondContact O-N 2.76Å; N199-G201 PolarHBondContact O-N 3.02Å; N199-S254 WeakPolarHBondContact O-CB 3.36Å; N199-S254 PolarHBondContact O-OG 3.34Å
200R53Low62Low208 Ų20879.1 Ų79.179%0.78543%0.426SS*.  trans-73.221.2174.5-69.9-164.5-177.7178.30.3111.2Q198Q198-R200 HydrophobicContact CB-CG 3.77Å; Q198-R200 PolarHBondContact O-N 2.82Å
201G59.9Low63.9Low30 Ų3075.4 Ų75.431%0.30940%0.397SS..SBendtrans-97.6165.4169.500000110.4N199 M203N199-G201 PolarHBondContact O-N 3.02Å; G201-M203 PolarHBondContact O-N 3.47Å
202P69.2Low66.2Low87 Ų8776.9 Ų76.957%0.56539%0.391SS*.  trans-57.4132.4174.125.9-33.9000109.3E230 T250 Y251P202-E230 WeakPolarHBondContact CB-OE2 3.31Å; P202-T250 HydrophobicContact CB-CG2 3.88Å; P202-Y251 WeakPolarHBondContact CA-O 3.34Å
203M79.2Confident68.2Low24 Ų2475.4 Ų75.412%0.11839%0.385CS..EExtended strand (participates in β ladder)trans-113.3121.9179-176.4167.7177.900108.9G201 L205 Y251 A257 K258 H278G201-M203 PolarHBondContact O-N 3.47Å; M203-L205 HydrophobicContact CE-CD2 4.23Å; M203-Y251 PolarHBondContact N-O 2.91Å; M203-Y251 PolarHBondContact O-N 3.35Å; M203-A257 HydrophobicContact CB-CB 3.64Å; M203-A257 HydrophobicContact CG-CB 3.73Å; M203-A257 HydrophobicContact SD-CB 3.87Å; M203-K258 HydrophobicContact SD-CG 4.22Å; M203-H278 HydrophobicContact CE-CB 3.61Å
204K89.4Confident70.5Confident56 Ų5669.6 Ų69.624%0.24335%0.346CS..EExtended strand (participates in β ladder)trans-93130.8178.7-170169.8179.1172.70110.1F248 V249 V279 E281K204-F248 HydrophobicContact CG-CB 4.32Å; K204-F248 HydrophobicContact CG-CD1 4.35Å; K204-V249 CarbonylContact C-O 3.55Å; K204-V249 WeakPolarHBondContact CA-O 3.38Å; K204-V279 HydrophobicContact CB-CB 4.12Å; K204-V279 HydrophobicContact CD-CG1 4.41Å; K204-V279 HydrophobicContact CG-CB 4.15Å; K204-V279 HydrophobicContact CG-CG2 4.27Å; K204-V279 WeakPolarHBondContact O-CB 3.36Å; K204-V279 PolarHBondContact O-N 2.96Å; K204-E281 HydrophobicContact CD-CG 4.37Å; K204-E281 VanDerWaalsContact CD-OE1 3.27Å; K204-E281 WeakPolarHBondContact CD-OE1 3.43Å; K204-E281 IonicContact NZ-OE1 3.33Å; K204-E281 PolarHBondContact NZ-OE1 3.14Å
205L91.1Very high72.9Confident0 Ų066.2 Ų66.20%034%0.34CS..EExtended strand (participates in β ladder)trans-107.5137.3176.3-59-177.2000109.1M203 F223 F248 V249 Y251 A257 A260 L261 V276 N277M203-L205 HydrophobicContact CE-CD2 4.23Å; L205-F223 HydrophobicContact CD1-CE1 4.23Å; L205-F248 CarbonylContact O-C 3.52Å; L205-F248 VanDerWaalsContact O-CA 3.25Å; L205-F248 WeakPolarHBondContact O-CA 3.44Å; L205-V249 PolarHBondContact N-O 3.21Å; L205-V249 PolarHBondContact O-N 3.42Å; L205-Y251 HydrophobicContact CD1-CD2 3.97Å; L205-Y251 HydrophobicContact CD1-CE2 3.68Å; L205-Y251 HydrophobicContact CG-CD2 4.42Å; L205-A257 HydrophobicContact CD1-CB 4.22Å; L205-A257 WeakPolarHBondContact CD1-O 3.4Å; L205-A257 HydrophobicContact CD2-CB 4.1Å; L205-A257 HydrophobicContact CG-CB 4.16Å; L205-A260 HydrophobicContact CD1-CB 4.04Å; L205-L261 HydrophobicContact CD2-CB 4.32Å; L205-L261 HydrophobicContact CD2-CD1 4.11Å; L205-V276 HydrophobicContact CB-CG1 4.19Å; L205-V276 HydrophobicContact CD1-CG1 4.06Å; L205-N277 CarbonylContact C-O 3.52Å; L205-N277 WeakPolarHBondContact CA-O 3.21Å
206Y92.2Very high75.5Confident76 Ų7665.3 Ų65.330%0.29833%0.326SS..EExtended strand (participates in β ladder)trans-93.8129.3169.1167.8-91.4000107.6Y246 F248 V276 N277 V279Y206-Y246 HydrophobicContact CD2-CD2 4.49Å; Y206-Y246 AromaticContact CE2-CD2 3.72Å; Y206-Y246 HydrophobicContact CE2-CD2 3.72Å; Y206-Y246 AromaticContact CE2-CG 3.98Å; Y206-Y246 HydrophobicContact CE2-CG 3.98Å; Y206-F248 HydrophobicContact CD2-CD1 4.41Å; Y206-F248 AromaticContact CD2-CE1 3.76Å; Y206-F248 HydrophobicContact CD2-CE1 3.76Å; Y206-F248 HydrophobicContact CD2-CZ 4.02Å; Y206-V276 CarbonylContact O-C 3.51Å; Y206-V276 WeakPolarHBondContact O-CA 3.49Å; Y206-N277 HydrophobicContact CD1-CB 4.26Å; Y206-N277 PolarHBondContact N-O 2.76Å; Y206-N277 PolarHBondContact O-N 3.4Å; Y206-V279 VanDerWaalsContact CB-CG2 3.46Å
207I91.7Very high77.8Confident0 Ų070.2 Ų70.20%034%0.342CS..EExtended strand (participates in β ladder)trans-118.5108.9179.1-52.7162.4000106.6L210 L219 F223 Y246 G247 V249 M274 K275 V276I207-L210 HydrophobicContact CB-CD1 4.38Å; I207-L210 HydrophobicContact CG2-CD1 3.92Å; I207-L210 HydrophobicContact CG2-CD2 3.67Å; I207-L210 HydrophobicContact CG2-CG 3.9Å; I207-L219 HydrophobicContact CD1-CD2 4.4Å; I207-F223 HydrophobicContact CD1-CD1 4.48Å; I207-F223 HydrophobicContact CD1-CD2 4.3Å; I207-F223 HydrophobicContact CD1-CE1 3.75Å; I207-F223 HydrophobicContact CD1-CE2 3.52Å; I207-F223 HydrophobicContact CD1-CZ 3.21Å; I207-F223 HydrophobicContact CG1-CE1 4.19Å; I207-F223 HydrophobicContact CG1-CE2 4.35Å; I207-F223 HydrophobicContact CG1-CZ 3.65Å; I207-F223 HydrophobicContact CG2-CZ 4.44Å; I207-Y246 CarbonylContact O-C 3.54Å; I207-Y246 WeakPolarHBondContact O-CA 3.3Å; I207-Y246 WeakPolarHBondContact O-CB 3.42Å; I207-G247 PolarHBondContact N-O 2.74Å; I207-G247 PolarHBondContact O-N 3.5Å; I207-V249 HydrophobicContact CD1-CB 3.93Å; I207-V249 HydrophobicContact CD1-CG2 3.27Å; I207-M274 HydrophobicContact CG2-CB 4.44Å; I207-M274 HydrophobicContact CG2-SD 4.42Å; I207-K275 CarbonylContact C-O 3.57Å; I207-K275 WeakPolarHBondContact CA-O 3.46Å; I207-V276 HydrophobicContact CG2-CG2 4.5Å
208G90.2Very high80Confident2 Ų266.1 Ų66.12%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-106.7174.1176.800000112.6L210 G245 K275G208-L210 VanDerWaalsContact C-N 3.26Å; G208-L210 PolarHBondContact O-N 3.33Å; G208-G245 CarbonylContact C-O 3.56Å; G208-K275 PolarHBondContact N-O 2.86Å; G208-K275 PolarHBondContact O-N 2.95Å
209S87.8Confident82.2Confident26 Ų2663 Ų6318%0.18231%0.31CS..SBendtrans61.329.9179.5-580000114.2G245 R272 P273S209-G245 PolarHBondContact N-O 2.77Å; S209-R272 VanDerWaalsContact O-CD 3.22Å; S209-R272 WeakPolarHBondContact O-CD 3.32Å; S209-R272 WeakPolarHBondContact O-CG 3.36Å; S209-P273 WeakPolarHBondContact CB-O 3.14Å
210L88Confident84.2Confident2 Ų263.5 Ų63.51%0.0131%0.307CS..  trans-74.8139173.7-62.4175.1000110.5I207 G208 I214 L219 L234 G245 L269 M274I207-L210 HydrophobicContact CB-CD1 4.38Å; I207-L210 HydrophobicContact CG2-CD1 3.92Å; I207-L210 HydrophobicContact CG2-CD2 3.67Å; I207-L210 HydrophobicContact CG2-CG 3.9Å; G208-L210 VanDerWaalsContact C-N 3.26Å; G208-L210 PolarHBondContact O-N 3.33Å; L210-I214 HydrophobicContact CB-CD1 3.99Å; L210-I214 HydrophobicContact CD2-CD1 3.9Å; L210-L219 HydrophobicContact CD1-CD1 3.89Å; L210-L219 HydrophobicContact CD1-CD2 4.08Å; L210-L219 HydrophobicContact CD2-CD2 3.94Å; L210-L234 HydrophobicContact CD1-CD1 3.89Å; L210-G245 PolarHBondContact N-O 2.83Å; L210-G245 VanDerWaalsContact O-CA 3.23Å; L210-G245 WeakPolarHBondContact O-CA 3.41Å; L210-L269 HydrophobicContact CD2-CD2 4.36Å; L210-M274 HydrophobicContact CD2-CB 4.2Å
211H85.6Confident85.9Confident60 Ų6055.2 Ų55.228%0.27829%0.287SS..  trans-64.6147.1168.8-167.3-91.7000111.5N213 I214 A270H211-N213 PolarHBondContact ND1-N 3.45Å; H211-N213 PolarHBondContact O-N 3.01Å; H211-N213 VanDerWaalsContact O-N 3.08Å; H211-I214 HydrophobicContact CB-CD1 3.84Å; H211-I214 HydrophobicContact CB-CG1 4.15Å; H211-I214 VanDerWaalsContact N-CD1 3.32Å; H211-I214 WeakPolarHBondContact O-CB 3.44Å; H211-I214 PolarHBondContact O-N 2.75Å; H211-I214 VanDerWaalsContact O-N 3.07Å; H211-A270 HydrophobicContact CB-CB 3.76Å
212Y85.1Confident87.3Confident107 Ų10754.2 Ų54.242%0.4227%0.274SS..THydrogen-bonded Turntrans-61.2-22.8-175-54.9-62.4000114.4R242 S243Y212-R242 HydrophobicContact CD1-CG 4.43Å; Y212-S243 WeakPolarHBondContact CD1-O 3.37Å; Y212-S243 PolarHBondContact O-OG 2.86Å
213N84.8Confident88.4Confident121 Ų12150 Ų5065%0.64725%0.247SC*.THydrogen-bonded Turntrans-86.5-5.6-179.3-62.7-1.7000113.6H211 T215H211-N213 PolarHBondContact ND1-N 3.45Å; H211-N213 PolarHBondContact O-N 3.01Å; H211-N213 VanDerWaalsContact O-N 3.08Å; N213-T215 PolarHBondContact O-N 3.3Å
214I85.9Confident88.9Confident5 Ų554.3 Ų54.33%0.02627%0.267CS..  trans-74.6128.5-179-66.3164000109.3L210 H211 M218 L219 L234 L269L210-I214 HydrophobicContact CB-CD1 3.99Å; L210-I214 HydrophobicContact CD2-CD1 3.9Å; H211-I214 HydrophobicContact CB-CD1 3.84Å; H211-I214 HydrophobicContact CB-CG1 4.15Å; H211-I214 VanDerWaalsContact N-CD1 3.32Å; H211-I214 WeakPolarHBondContact O-CB 3.44Å; H211-I214 PolarHBondContact O-N 2.75Å; H211-I214 VanDerWaalsContact O-N 3.07Å; I214-M218 HydrophobicContact CG2-CB 4.27Å; I214-L219 HydrophobicContact CG2-CD2 4.2Å; I214-L219 HydrophobicContact CG2-CG 3.94Å; I214-L234 VanDerWaalsContact O-CD2 3.28Å; I214-L234 WeakPolarHBondContact O-CD2 3.23Å; I214-L269 HydrophobicContact CD1-CB 4.12Å; I214-L269 HydrophobicContact CD1-CD2 3.4Å; I214-L269 HydrophobicContact CD1-CG 3.52Å; I214-L269 HydrophobicContact CG1-CD2 4Å; I214-L269 HydrophobicContact CG1-CG 4.08Å; I214-L269 HydrophobicContact CG2-CD2 4.19Å
215T87.8Confident89Confident60 Ų6056.2 Ų56.237%0.36829%0.285SS..  trans-98163.8174.862.60000111.1N213 E217 M218 L219N213-T215 PolarHBondContact O-N 3.3Å; T215-E217 PolarHBondContact O-N 3.48Å; T215-M218 PolarHBondContact O-N 3.32Å; T215-M218 WeakPolarHBondContact OG1-CG 3.45Å; T215-L219 PolarHBondContact O-N 3.31Å
216E88.6Confident88.8Confident99 Ų9958.1 Ų58.146%0.46329%0.293SS..Hα-helixtrans-58.6-36175-164-175.1132.900112.2M218 L219 K220 I232E216-M218 PolarHBondContact O-N 3.38Å; E216-L219 PolarHBondContact O-N 3.47Å; E216-K220 PolarHBondContact O-N 3.45Å; E216-I232 HydrophobicContact CG-CB 3.81Å; E216-I232 HydrophobicContact CG-CG2 3.52Å
217E89Confident88.6Confident161 Ų16155.3 Ų55.375%0.75229%0.287SS*.Hα-helixtrans-64.3-38.3177.7-168.2175.5-167.200112.4T215 K220 G221T215-E217 PolarHBondContact O-N 3.48Å; E217-K220 WeakPolarHBondContact O-CB 3.26Å; E217-K220 PolarHBondContact O-N 3.2Å; E217-G221 PolarHBondContact O-N 3.23Å
218M88.7Confident88.5Confident101 Ų10162.9 Ų62.950%0.49832%0.32SS..Hα-helixtrans-65.8-42.3174-67.8173.9177.900111.6I214 T215 E216 K220 G221 I222I214-M218 HydrophobicContact CG2-CB 4.27Å; T215-M218 PolarHBondContact O-N 3.32Å; T215-M218 WeakPolarHBondContact OG1-CG 3.45Å; E216-M218 PolarHBondContact O-N 3.38Å; M218-K220 VanDerWaalsContact C-N 3.32Å; M218-G221 PolarHBondContact O-N 3.37Å; M218-I222 WeakPolarHBondContact O-CD1 3.45Å; M218-I222 WeakPolarHBondContact O-CG1 3.43Å; M218-I222 PolarHBondContact O-N 2.82Å
219L90Very high88.5Confident0 Ų064.7 Ų64.70%033%0.329CS..Hα-helixtrans-61.9-42.6174.2-71.9175.2000110.8I207 L210 I214 T215 E216 G221 I222 F223 I232 L234I207-L219 HydrophobicContact CD1-CD2 4.4Å; L210-L219 HydrophobicContact CD1-CD1 3.89Å; L210-L219 HydrophobicContact CD1-CD2 4.08Å; L210-L219 HydrophobicContact CD2-CD2 3.94Å; I214-L219 HydrophobicContact CG2-CD2 4.2Å; I214-L219 HydrophobicContact CG2-CG 3.94Å; T215-L219 PolarHBondContact O-N 3.31Å; E216-L219 PolarHBondContact O-N 3.47Å; L219-G221 PolarHBondContact O-N 3.31Å; L219-I222 PolarHBondContact O-N 3.39Å; L219-F223 HydrophobicContact CD2-CD2 4.48Å; L219-F223 HydrophobicContact CD2-CE2 4.06Å; L219-F223 WeakPolarHBondContact O-CB 3.18Å; L219-F223 VanDerWaalsContact O-CD2 3.25Å; L219-F223 WeakPolarHBondContact O-CD2 3.44Å; L219-F223 PolarHBondContact O-N 3.06Å; L219-I232 HydrophobicContact CB-CG2 4.39Å; L219-I232 HydrophobicContact CD1-CG2 4.39Å; L219-L234 HydrophobicContact CD1-CD1 4.24Å
220K90.7Very high88.6Confident108 Ų10869.1 Ų69.147%0.4735%0.347SS..Hα-helixtrans-56.3-50.4176.7-168-179.3174.1-171.60111.7E216 E217 M218 I222 F223 E224 I229 I232E216-K220 PolarHBondContact O-N 3.45Å; E217-K220 WeakPolarHBondContact O-CB 3.26Å; E217-K220 PolarHBondContact O-N 3.2Å; M218-K220 VanDerWaalsContact C-N 3.32Å; K220-I222 PolarHBondContact O-N 2.97Å; K220-F223 PolarHBondContact O-N 2.77Å; K220-E224 WeakPolarHBondContact O-CB 3.49Å; K220-E224 PolarHBondContact O-N 3.23Å; K220-I229 HydrophobicContact CG-CD1 4.38Å; K220-I232 HydrophobicContact CB-CD1 3.58Å; K220-I232 HydrophobicContact CG-CD1 3.9Å
221G90.1Very high88.7Confident34 Ų3473.5 Ų73.535%0.35137%0.37SS..Hα-helixtrans-62.1-27.2179.900000114.5E217 M218 L219 P225E217-G221 PolarHBondContact O-N 3.23Å; M218-G221 PolarHBondContact O-N 3.37Å; L219-G221 PolarHBondContact O-N 3.31Å; G221-P225 WeakPolarHBondContact O-CD 3.48Å
222I89.4Confident89Confident9 Ų971.2 Ų71.25%0.04636%0.36CS..Hα-helixtrans-83.1-38.1177.7-65167.1000111.6M218 L219 K220 P225 F226 L264 L269M218-I222 WeakPolarHBondContact O-CD1 3.45Å; M218-I222 WeakPolarHBondContact O-CG1 3.43Å; M218-I222 PolarHBondContact O-N 2.82Å; L219-I222 PolarHBondContact O-N 3.39Å; K220-I222 PolarHBondContact O-N 2.97Å; I222-P225 WeakPolarHBondContact O-CD 3.46Å; I222-F226 WeakPolarHBondContact O-CD2 3.39Å; I222-F226 VanDerWaalsContact O-CE2 3.24Å; I222-F226 WeakPolarHBondContact O-CE2 3.38Å; I222-L264 HydrophobicContact CG2-CD1 4.07Å; I222-L264 HydrophobicContact CG2-CD2 3.61Å; I222-L269 HydrophobicContact CD1-CD1 3.58Å; I222-L269 HydrophobicContact CD1-CD2 3.54Å; I222-L269 HydrophobicContact CD1-CG 4.23Å
223F90.8Very high89.2Confident0 Ų071.9 Ų71.90%037%0.365CS..Hα-helixtrans-88.5-24.4-174.6-80.2-100.3000113.1L205 I207 L219 K220 P225 F226 I229 V249 Y251 A260 L264 M274 V276L205-F223 HydrophobicContact CD1-CE1 4.23Å; I207-F223 HydrophobicContact CD1-CD1 4.48Å; I207-F223 HydrophobicContact CD1-CD2 4.3Å; I207-F223 HydrophobicContact CD1-CE1 3.75Å; I207-F223 HydrophobicContact CD1-CE2 3.52Å; I207-F223 HydrophobicContact CD1-CZ 3.21Å; I207-F223 HydrophobicContact CG1-CE1 4.19Å; I207-F223 HydrophobicContact CG1-CE2 4.35Å; I207-F223 HydrophobicContact CG1-CZ 3.65Å; I207-F223 HydrophobicContact CG2-CZ 4.44Å; L219-F223 HydrophobicContact CD2-CD2 4.48Å; L219-F223 HydrophobicContact CD2-CE2 4.06Å; L219-F223 WeakPolarHBondContact O-CB 3.18Å; L219-F223 VanDerWaalsContact O-CD2 3.25Å; L219-F223 WeakPolarHBondContact O-CD2 3.44Å; L219-F223 PolarHBondContact O-N 3.06Å; K220-F223 PolarHBondContact O-N 2.77Å; F223-P225 VanDerWaalsContact C-CD 3.48Å; F223-F226 PolarHBondContact O-N 3.37Å; F223-I229 HydrophobicContact CB-CD1 3.56Å; F223-I229 HydrophobicContact CB-CG1 4.39Å; F223-V249 HydrophobicContact CB-CG1 4.46Å; F223-V249 HydrophobicContact CD1-CB 4.42Å; F223-V249 HydrophobicContact CD1-CG1 4.05Å; F223-V249 HydrophobicContact CD1-CG2 4.43Å; F223-V249 HydrophobicContact CG-CG1 4.39Å; F223-V249 HydrophobicContact CG-CG2 4.43Å; F223-Y251 WeakPolarHBondContact CA-OH 3.46Å; F223-Y251 VanDerWaalsContact CB-OH 3.28Å; F223-Y251 WeakPolarHBondContact CB-OH 3.26Å; F223-Y251 AromaticContact CD1-CE2 3.92Å; F223-Y251 HydrophobicContact CD1-CE2 3.92Å; F223-Y251 VanDerWaalsContact CD1-OH 3.26Å; F223-Y251 WeakPolarHBondContact CD1-OH 3.28Å; F223-Y251 PolarHBondContact O-OH 2.93Å; F223-A260 HydrophobicContact CD1-CB 4.3Å; F223-A260 HydrophobicContact CE1-CB 4.49Å; F223-L264 HydrophobicContact CD1-CD1 3.58Å; F223-L264 HydrophobicContact CD2-CD1 3.89Å; F223-L264 HydrophobicContact CE1-CD1 3.41Å; F223-L264 VanDerWaalsContact CE1-CD1 3.41Å; F223-L264 HydrophobicContact CE2-CD1 3.74Å; F223-L264 HydrophobicContact CG-CD1 3.82Å; F223-L264 HydrophobicContact CZ-CB 4.44Å; F223-L264 HydrophobicContact CZ-CD1 3.48Å; F223-L264 VanDerWaalsContact CZ-CD1 3.48Å; F223-M274 HydrophobicContact CE2-SD 4.31Å; F223-M274 HydrophobicContact CZ-SD 4.35Å; F223-V276 HydrophobicContact CZ-CG2 4.2Å
224E90.9Very high89.5Confident113 Ų11366.9 Ų66.953%0.52834%0.338SS..G310 helixtrans-60.6-36.8-178.7-177.2168-166.700114.5K220 F226 G227 I229K220-E224 WeakPolarHBondContact O-CB 3.49Å; K220-E224 PolarHBondContact O-N 3.23Å; E224-F226 PolarHBondContact O-N 3.42Å; E224-G227 PolarHBondContact O-N 3.43Å; E224-I229 HydrophobicContact CB-CD1 4.42Å
225P90.1Very high89.6Confident97 Ų9768.3 Ų68.363%0.6335%0.345SS*.G310 helixtrans-61.2-23175.3-25.835.5000115G221 I222 F223G221-P225 WeakPolarHBondContact O-CD 3.48Å; I222-P225 WeakPolarHBondContact O-CD 3.46Å; F223-P225 VanDerWaalsContact C-CD 3.48Å
226F88Confident89.6Confident40 Ų4070.3 Ų70.318%0.17535%0.349CS..G310 helixtrans-86-22-178-61.9-81.5000113.2I222 F223 E224 D256 A260 Q263 L264I222-F226 WeakPolarHBondContact O-CD2 3.39Å; I222-F226 VanDerWaalsContact O-CE2 3.24Å; I222-F226 WeakPolarHBondContact O-CE2 3.38Å; F223-F226 PolarHBondContact O-N 3.37Å; E224-F226 PolarHBondContact O-N 3.42Å; F226-D256 WeakPolarHBondContact O-CB 3.36Å; F226-A260 HydrophobicContact CB-CB 3.8Å; F226-A260 HydrophobicContact CD1-CB 4.45Å; F226-A260 HydrophobicContact CD2-CB 4.32Å; F226-A260 HydrophobicContact CG-CB 3.93Å; F226-Q263 HydrophobicContact CE1-CB 3.57Å; F226-Q263 HydrophobicContact CE1-CG 4.1Å; F226-Q263 HydrophobicContact CZ-CB 3.97Å; F226-L264 HydrophobicContact CD2-CD1 3.84Å; F226-L264 HydrophobicContact CD2-CG 4.29Å; F226-L264 HydrophobicContact CE2-CD1 3.57Å; F226-L264 HydrophobicContact CE2-CD2 3.63Å; F226-L264 HydrophobicContact CE2-CG 3.61Å; F226-L264 HydrophobicContact CZ-CD1 4.29Å; F226-L264 HydrophobicContact CZ-CD2 3.83Å; F226-L264 HydrophobicContact CZ-CG 3.84Å
227G87.7Confident89.4Confident16 Ų1667.8 Ų67.817%0.16534%0.339CS..SBendtrans161.7-178.9177.500000113.4E224 I229E224-G227 PolarHBondContact O-N 3.43Å; G227-I229 PolarHBondContact O-N 3.48Å
228K89.7Confident89Confident160 Ų16065.2 Ų65.270%0.69634%0.336SS*.  trans-75119.9-178.2-68.1-175179.6-1760110.8Y251 V252K228-Y251 WeakPolarHBondContact O-CD1 3.28Å; K228-V252 HydrophobicContact CB-CB 4.49Å; K228-V252 HydrophobicContact CB-CG2 4.13Å; K228-V252 PolarHBondContact O-N 3.39Å
229I90.5Very high88.8Confident39 Ų3965.9 Ų65.920%0.235%0.346CS..EExtended strand (participates in β ladder)trans-85.6132.4175.6-53.2171.4000108.9K220 F223 E224 G227 I232 V249 T250 Y251K220-I229 HydrophobicContact CG-CD1 4.38Å; F223-I229 HydrophobicContact CB-CD1 3.56Å; F223-I229 HydrophobicContact CB-CG1 4.39Å; E224-I229 HydrophobicContact CB-CD1 4.42Å; G227-I229 PolarHBondContact O-N 3.48Å; I229-I232 HydrophobicContact CD1-CD1 3.85Å; I229-I232 HydrophobicContact CD1-CG1 4.48Å; I229-I232 HydrophobicContact CG2-CD1 3.99Å; I229-I232 HydrophobicContact CG2-CG1 3.49Å; I229-I232 VanDerWaalsContact CG2-CG1 3.49Å; I229-V249 HydrophobicContact CG1-CG1 4.41Å; I229-V249 HydrophobicContact CG2-CG1 3.9Å; I229-T250 WeakPolarHBondContact CG2-O 3.39Å; I229-Y251 HydrophobicContact CG1-CD1 4.38Å; I229-Y251 HydrophobicContact CG1-CE1 3.95Å
230E89.9Confident88.4Confident120 Ų12070 Ų7056%0.56137%0.371SS*.EExtended strand (participates in β ladder)trans-87.4-45.7175-173.9177-177.600111.5P202 T250 V252P202-E230 WeakPolarHBondContact CB-OE2 3.31Å; E230-T250 HydrophobicContact CB-CG2 4.22Å; E230-T250 PolarHBondContact N-O 2.99Å; E230-V252 HydrophobicContact CB-CG2 4.04Å
231D90Very high87.8Confident93 Ų9371 Ų7150%0.49738%0.382SS..EExtended strand (participates in β ladder)trans-151.5148.1-179.1-17133.8000111.4T250D231-T250 PolarHBondContact N-O 2.85Å; D231-T250 PolarHBondContact O-N 2.75Å
232I90.6Very high87.3Confident12 Ų1276.7 Ų76.76%0.06239%0.393CS..EExtended strand (participates in β ladder)trans-130.7124.2174.1-53.1-179000108E216 L219 K220 I229 F248 V249E216-I232 HydrophobicContact CG-CB 3.81Å; E216-I232 HydrophobicContact CG-CG2 3.52Å; L219-I232 HydrophobicContact CB-CG2 4.39Å; L219-I232 HydrophobicContact CD1-CG2 4.39Å; K220-I232 HydrophobicContact CB-CD1 3.58Å; K220-I232 HydrophobicContact CG-CD1 3.9Å; I229-I232 HydrophobicContact CD1-CD1 3.85Å; I229-I232 HydrophobicContact CD1-CG1 4.48Å; I229-I232 HydrophobicContact CG2-CD1 3.99Å; I229-I232 HydrophobicContact CG2-CG1 3.49Å; I229-I232 VanDerWaalsContact CG2-CG1 3.49Å; I232-F248 WeakPolarHBondContact CA-O 3.25Å; I232-V249 HydrophobicContact CB-CG2 4.46Å; I232-V249 HydrophobicContact CG1-CG2 4.16Å; I232-V249 HydrophobicContact CG2-CG2 3.9Å
233K90.1Very high86.9Confident121 Ų12176.8 Ų76.853%0.52639%0.394SS..EExtended strand (participates in β ladder)trans-126.6103.6179.4-171.6174.3-176.3173.20110.8I235 G247 F248K233-I235 HydrophobicContact CD-CD1 4.1Å; K233-I235 HydrophobicContact CG-CD1 3.96Å; K233-G247 CarbonylContact O-C 3.57Å; K233-G247 WeakPolarHBondContact O-CA 3.42Å; K233-F248 PolarHBondContact N-O 2.92Å; K233-F248 PolarHBondContact O-N 2.94Å
234L90.2Very high86.6Confident17 Ų1780.9 Ų80.99%0.08941%0.413CS..EExtended strand (participates in β ladder)trans-85122.1171.2-176.566.3000109.9L210 I214 L219L210-L234 HydrophobicContact CD1-CD1 3.89Å; I214-L234 VanDerWaalsContact O-CD2 3.28Å; I214-L234 WeakPolarHBondContact O-CD2 3.23Å; L219-L234 HydrophobicContact CD1-CD1 4.24Å
235I88.8Confident86.3Confident34 Ų3475.9 Ų75.917%0.17439%0.391CS..EExtended strand (participates in β ladder)trans-84.4122.2179.4-55.5-60.3000109.5K233 Q244 Y246 F248K233-I235 HydrophobicContact CD-CD1 4.1Å; K233-I235 HydrophobicContact CG-CD1 3.96Å; I235-Q244 HydrophobicContact CG2-CG 4.28Å; I235-Q244 PolarHBondContact O-N 3.07Å; I235-Y246 HydrophobicContact CB-CD2 4.14Å; I235-Y246 HydrophobicContact CB-CE1 4.46Å; I235-Y246 HydrophobicContact CB-CE2 3.65Å; I235-Y246 HydrophobicContact CG1-CD2 4.05Å; I235-Y246 HydrophobicContact CG1-CE2 3.55Å; I235-Y246 HydrophobicContact CG2-CE1 4.41Å; I235-Y246 HydrophobicContact CG2-CE2 3.99Å; I235-Y246 WeakPolarHBondContact CG2-OH 3.39Å; I235-Y246 PolarHBondContact N-O 3.27Å; I235-F248 HydrophobicContact CD1-CD2 4.46Å; I235-F248 HydrophobicContact CD1-CE2 4.46Å; I235-F248 HydrophobicContact CG1-CD2 4.17Å; I235-F248 HydrophobicContact CG1-CE2 4.01Å
236K87.6Confident86.3Confident102 Ų10274.2 Ų74.244%0.44337%0.373SS..EExtended strand (participates in β ladder)trans-112.8149.2176.8-54.8-178.4-178.6175.60109.1P238 R242 Q244K236-P238 WeakPolarHBondContact O-CD 3.34Å; K236-R242 CarbonylContact C-O 3.55Å; K236-R242 WeakPolarHBondContact CA-O 3.2Å; K236-Q244 PolarHBondContact O-NE2 3.37Å
237D84.6Confident86.5Confident47 Ų4772.3 Ų72.325%0.25137%0.365SS..  trans-64.4120.5171.51751000108.2T239 T240 N241 R242 Q244D237-T239 PolarHBondContact O-N 2.89Å; D237-T239 PolarHBondContact OD1-N 3.41Å; D237-T239 PolarHBondContact OD1-OG1 2.93Å; D237-T239 PolarHBondContact OD2-OG1 3.43Å; D237-T240 WeakPolarHBondContact CB-OG1 3.08Å; D237-T240 VanDerWaalsContact CG-OG1 3.29Å; D237-T240 PolarHBondContact OD2-OG1 3.16Å; D237-N241 VanDerWaalsContact O-CA 3.24Å; D237-N241 WeakPolarHBondContact O-CA 3.48Å; D237-N241 PolarHBondContact O-N 3.07Å; D237-R242 PolarHBondContact N-O 3.22Å; D237-Q244 HydrophobicContact CB-CG 4.2Å
238P80.4Confident86.7Confident107 Ų10773.9 Ų73.970%0.69537%0.367SS*.THydrogen-bonded Turntrans-64-19.9-176.826.4-35.5000113.3K236K236-P238 WeakPolarHBondContact O-CD 3.34Å
239T84.2Confident86.8Confident115 Ų11566.2 Ų66.271%0.70633%0.334SS*.THydrogen-bonded Turntrans-89.7-44.8-177.561.20000112.6D237D237-T239 PolarHBondContact O-N 2.89Å; D237-T239 PolarHBondContact OD1-N 3.41Å; D237-T239 PolarHBondContact OD1-OG1 2.93Å; D237-T239 PolarHBondContact OD2-OG1 3.43Å
240T83.1Confident86.8Confident87 Ų8765.4 Ų65.453%0.53433%0.331SS..THydrogen-bonded Turntrans-96.5-6.9-17761.30000113.5D237 R242D237-T240 WeakPolarHBondContact CB-OG1 3.08Å; D237-T240 VanDerWaalsContact CG-OG1 3.29Å; D237-T240 PolarHBondContact OD2-OG1 3.16Å; T240-R242 PolarHBondContact O-N 2.97Å; T240-R242 WeakPolarHBondContact OG1-CB 3.36Å; T240-R242 PolarHBondContact OG1-N 3.37Å
241N78Confident86.9Confident128 Ų12859.7 Ų59.768%0.68430%0.304SS*.  trans53.414.9-168.8-77.2-62.9000114.3D237D237-N241 VanDerWaalsContact O-CA 3.24Å; D237-N241 WeakPolarHBondContact O-CA 3.48Å; D237-N241 PolarHBondContact O-N 3.07Å
242R78.6Confident86.8Confident154 Ų15458.5 Ų58.558%0.58130%0.3SS*.  trans-86139.3179.8-159.5175.9-152.1166.46.4109.5Y212 K236 D237 T240 Q244Y212-R242 HydrophobicContact CD1-CG 4.43Å; K236-R242 CarbonylContact C-O 3.55Å; K236-R242 WeakPolarHBondContact CA-O 3.2Å; D237-R242 PolarHBondContact N-O 3.22Å; T240-R242 PolarHBondContact O-N 2.97Å; T240-R242 WeakPolarHBondContact OG1-CB 3.36Å; T240-R242 PolarHBondContact OG1-N 3.37Å; R242-Q244 PolarHBondContact O-N 2.83Å
243S81.7Confident86.6Confident11 Ų1161.6 Ų61.68%0.07732%0.316CS..EExtended strand (participates in β ladder)trans-56.7134.5176.1-55.30000110.8Y212 G245Y212-S243 WeakPolarHBondContact CD1-O 3.37Å; Y212-S243 PolarHBondContact O-OG 2.86Å; S243-G245 PolarHBondContact O-N 2.89Å
244Q83.7Confident86.4Confident86 Ų8655.9 Ų55.940%0.40229%0.292SS..EExtended strand (participates in β ladder)trans-76-0176-63.2-170.324.600112.4I235 K236 D237 R242 Y246I235-Q244 HydrophobicContact CG2-CG 4.28Å; I235-Q244 PolarHBondContact O-N 3.07Å; K236-Q244 PolarHBondContact O-NE2 3.37Å; D237-Q244 HydrophobicContact CB-CG 4.2Å; R242-Q244 PolarHBondContact O-N 2.83Å; Q244-Y246 HydrophobicContact CB-CD1 3.74Å; Q244-Y246 HydrophobicContact CB-CE1 3.4Å; Q244-Y246 HydrophobicContact CG-CE1 4.25Å; Q244-Y246 PolarHBondContact OE1-OH 2.95Å
245G84.7Confident86.3Confident7 Ų758 Ų587%0.07230%0.303CS..EExtended strand (participates in β ladder)trans79.417.3-178.900000113.8G208 S209 L210 S243G208-G245 CarbonylContact C-O 3.56Å; S209-G245 PolarHBondContact N-O 2.77Å; L210-G245 PolarHBondContact N-O 2.83Å; L210-G245 VanDerWaalsContact O-CA 3.23Å; L210-G245 WeakPolarHBondContact O-CA 3.41Å; S243-G245 PolarHBondContact O-N 2.89Å
246Y90.5Very high86.3Confident63 Ų6357.6 Ų57.625%0.24730%0.301CS..EExtended strand (participates in β ladder)trans-144158.3169.769-84.9000112.8Y206 I207 I235 Q244 F248Y206-Y246 HydrophobicContact CD2-CD2 4.49Å; Y206-Y246 AromaticContact CE2-CD2 3.72Å; Y206-Y246 HydrophobicContact CE2-CD2 3.72Å; Y206-Y246 AromaticContact CE2-CG 3.98Å; Y206-Y246 HydrophobicContact CE2-CG 3.98Å; I207-Y246 CarbonylContact O-C 3.54Å; I207-Y246 WeakPolarHBondContact O-CA 3.3Å; I207-Y246 WeakPolarHBondContact O-CB 3.42Å; I235-Y246 HydrophobicContact CB-CD2 4.14Å; I235-Y246 HydrophobicContact CB-CE1 4.46Å; I235-Y246 HydrophobicContact CB-CE2 3.65Å; I235-Y246 HydrophobicContact CG1-CD2 4.05Å; I235-Y246 HydrophobicContact CG1-CE2 3.55Å; I235-Y246 HydrophobicContact CG2-CE1 4.41Å; I235-Y246 HydrophobicContact CG2-CE2 3.99Å; I235-Y246 WeakPolarHBondContact CG2-OH 3.39Å; I235-Y246 PolarHBondContact N-O 3.27Å; Q244-Y246 HydrophobicContact CB-CD1 3.74Å; Q244-Y246 HydrophobicContact CB-CE1 3.4Å; Q244-Y246 HydrophobicContact CG-CE1 4.25Å; Q244-Y246 PolarHBondContact OE1-OH 2.95Å; Y246-F248 HydrophobicContact CD2-CE2 4.26Å; Y246-F248 HydrophobicContact CE2-CE2 4.17Å
247G91.2Very high86.4Confident0 Ų052.7 Ų52.70%028%0.28CS..EExtended strand (participates in β ladder)trans-156.2176.9178.500000112.3I207 K233I207-G247 PolarHBondContact N-O 2.74Å; I207-G247 PolarHBondContact O-N 3.5Å; K233-G247 CarbonylContact O-C 3.57Å; K233-G247 WeakPolarHBondContact O-CA 3.42Å
248F92.4Very high86.6Confident48 Ų4854.8 Ų54.821%0.21129%0.287CS..EExtended strand (participates in β ladder)trans-125.2136.2179.7-61.7-83.1000109.9K204 L205 Y206 I232 K233 I235 Y246 V279K204-F248 HydrophobicContact CG-CB 4.32Å; K204-F248 HydrophobicContact CG-CD1 4.35Å; L205-F248 CarbonylContact O-C 3.52Å; L205-F248 VanDerWaalsContact O-CA 3.25Å; L205-F248 WeakPolarHBondContact O-CA 3.44Å; Y206-F248 HydrophobicContact CD2-CD1 4.41Å; Y206-F248 AromaticContact CD2-CE1 3.76Å; Y206-F248 HydrophobicContact CD2-CE1 3.76Å; Y206-F248 HydrophobicContact CD2-CZ 4.02Å; I232-F248 WeakPolarHBondContact CA-O 3.25Å; K233-F248 PolarHBondContact N-O 2.92Å; K233-F248 PolarHBondContact O-N 2.94Å; I235-F248 HydrophobicContact CD1-CD2 4.46Å; I235-F248 HydrophobicContact CD1-CE2 4.46Å; I235-F248 HydrophobicContact CG1-CD2 4.17Å; I235-F248 HydrophobicContact CG1-CE2 4.01Å; Y246-F248 HydrophobicContact CD2-CE2 4.26Å; Y246-F248 HydrophobicContact CE2-CE2 4.17Å; F248-V279 HydrophobicContact CD1-CG2 3.85Å; F248-V279 HydrophobicContact CE1-CG2 3.88Å
249V92.1Very high87Confident0 Ų054.9 Ų54.90%028%0.277CS..EExtended strand (participates in β ladder)trans-124.3124173.7170.10000108.5K204 L205 I207 F223 I229 I232 Y251K204-V249 CarbonylContact C-O 3.55Å; K204-V249 WeakPolarHBondContact CA-O 3.38Å; L205-V249 PolarHBondContact N-O 3.21Å; L205-V249 PolarHBondContact O-N 3.42Å; I207-V249 HydrophobicContact CD1-CB 3.93Å; I207-V249 HydrophobicContact CD1-CG2 3.27Å; F223-V249 HydrophobicContact CB-CG1 4.46Å; F223-V249 HydrophobicContact CD1-CB 4.42Å; F223-V249 HydrophobicContact CD1-CG1 4.05Å; F223-V249 HydrophobicContact CD1-CG2 4.43Å; F223-V249 HydrophobicContact CG-CG1 4.39Å; F223-V249 HydrophobicContact CG-CG2 4.43Å; I229-V249 HydrophobicContact CG1-CG1 4.41Å; I229-V249 HydrophobicContact CG2-CG1 3.9Å; I232-V249 HydrophobicContact CB-CG2 4.46Å; I232-V249 HydrophobicContact CG1-CG2 4.16Å; I232-V249 HydrophobicContact CG2-CG2 3.9Å; V249-Y251 HydrophobicContact CG1-CD2 4.05Å; V249-Y251 HydrophobicContact CG1-CE2 3.77Å
250T90.9Very high87.3Confident22 Ų2249.4 Ų49.414%0.13524%0.243CC..EExtended strand (participates in β ladder)trans-103.5121.8177.3-53.60000108.9P202 I229 E230 D231P202-T250 HydrophobicContact CB-CG2 3.88Å; I229-T250 WeakPolarHBondContact CG2-O 3.39Å; E230-T250 HydrophobicContact CB-CG2 4.22Å; E230-T250 PolarHBondContact N-O 2.99Å; D231-T250 PolarHBondContact N-O 2.85Å; D231-T250 PolarHBondContact O-N 2.75Å
251Y91.6Very high87.6Confident0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-94.9147.5172.3-80.4-88.3000111.2P202 M203 L205 F223 K228 I229 V249 N253 D256 A257 A260P202-Y251 WeakPolarHBondContact CA-O 3.34Å; M203-Y251 PolarHBondContact N-O 2.91Å; M203-Y251 PolarHBondContact O-N 3.35Å; L205-Y251 HydrophobicContact CD1-CD2 3.97Å; L205-Y251 HydrophobicContact CD1-CE2 3.68Å; L205-Y251 HydrophobicContact CG-CD2 4.42Å; F223-Y251 WeakPolarHBondContact CA-OH 3.46Å; F223-Y251 VanDerWaalsContact CB-OH 3.28Å; F223-Y251 WeakPolarHBondContact CB-OH 3.26Å; F223-Y251 AromaticContact CD1-CE2 3.92Å; F223-Y251 HydrophobicContact CD1-CE2 3.92Å; F223-Y251 VanDerWaalsContact CD1-OH 3.26Å; F223-Y251 WeakPolarHBondContact CD1-OH 3.28Å; F223-Y251 PolarHBondContact O-OH 2.93Å; K228-Y251 WeakPolarHBondContact O-CD1 3.28Å; I229-Y251 HydrophobicContact CG1-CD1 4.38Å; I229-Y251 HydrophobicContact CG1-CE1 3.95Å; V249-Y251 HydrophobicContact CG1-CD2 4.05Å; V249-Y251 HydrophobicContact CG1-CE2 3.77Å; Y251-N253 VanDerWaalsContact C-N 3.27Å; Y251-N253 WeakPolarHBondContact CB-O 3.47Å; Y251-N253 PolarHBondContact O-N 3.48Å; Y251-D256 HydrophobicContact CD1-CB 3.98Å; Y251-D256 HydrophobicContact CE1-CB 4.41Å; Y251-A257 HydrophobicContact CD2-CB 3.71Å; Y251-A257 HydrophobicContact CG-CB 4.05Å; Y251-A260 HydrophobicContact CE2-CB 3.8Å; Y251-A260 WeakPolarHBondContact OH-CB 3.47Å
252V88.2Confident88.1Confident68 Ų6846.9 Ų46.941%0.41223%0.226SC..SBendtrans-62.5-37.4172.7179.90000111.1K228 E230K228-V252 HydrophobicContact CB-CB 4.49Å; K228-V252 HydrophobicContact CB-CG2 4.13Å; K228-V252 PolarHBondContact O-N 3.39Å; E230-V252 HydrophobicContact CB-CG2 4.04Å
253N86.1Confident88.6Confident76 Ų7645.8 Ų45.841%0.40623%0.227SC..  trans-114.9134-179.8-56.9-40.1000110.8Y251 D255 D256 A257Y251-N253 VanDerWaalsContact C-N 3.27Å; Y251-N253 WeakPolarHBondContact CB-O 3.47Å; Y251-N253 PolarHBondContact O-N 3.48Å; N253-D255 VanDerWaalsContact C-N 3.31Å; N253-D255 PolarHBondContact O-N 3.04Å; N253-D256 HydrophobicContact CB-CB 4.24Å; N253-D256 WeakPolarHBondContact CB-OD2 3.35Å; N253-D256 PolarHBondContact ND2-OD2 3.37Å; N253-D256 PolarHBondContact O-N 3.13Å; N253-A257 PolarHBondContact O-N 3.18Å
254S86.7Confident88.9Confident1 Ų145.5 Ų45.51%0.00723%0.225CC..Hα-helixtrans-67.9-28.1172.970.60000114.4N199 D256 A257 K258N199-S254 WeakPolarHBondContact O-CB 3.36Å; N199-S254 PolarHBondContact O-OG 3.34Å; S254-D256 PolarHBondContact O-N 3.36Å; S254-A257 WeakPolarHBondContact O-CB 3.34Å; S254-A257 PolarHBondContact O-N 3.41Å; S254-K258 WeakPolarHBondContact O-CG 3.47Å; S254-K258 PolarHBondContact O-N 3.24Å
255D87.2Confident89.1Confident62 Ų6245.4 Ų45.433%0.33223%0.227SC..Hα-helixtrans-64.1-36.2178.4-68.4-49.9000110.6Q198 N253 K259Q198-D255 PolarHBondContact NE2-OD2 2.89Å; N253-D255 VanDerWaalsContact C-N 3.31Å; N253-D255 PolarHBondContact O-N 3.04Å; D255-K259 WeakPolarHBondContact O-CG 3.16Å; D255-K259 PolarHBondContact O-N 3.23Å
256D89.4Confident89.2Confident25 Ų2547.1 Ų47.113%0.13425%0.245CC..Hα-helixtrans-72.3-40.6175.9-63.2-20.4000110.8F226 Y251 N253 S254 K258 K259 A260F226-D256 WeakPolarHBondContact O-CB 3.36Å; Y251-D256 HydrophobicContact CD1-CB 3.98Å; Y251-D256 HydrophobicContact CE1-CB 4.41Å; N253-D256 HydrophobicContact CB-CB 4.24Å; N253-D256 WeakPolarHBondContact CB-OD2 3.35Å; N253-D256 PolarHBondContact ND2-OD2 3.37Å; N253-D256 PolarHBondContact O-N 3.13Å; S254-D256 PolarHBondContact O-N 3.36Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.48Å; D256-K259 PolarHBondContact O-N 3.28Å; D256-K259 IonicContact OD1-NZ 3.85Å; D256-A260 WeakPolarHBondContact O-CB 3.06Å; D256-A260 PolarHBondContact O-N 3.05Å
257A89Confident89.1Confident0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-60.7-39.9174.300000112.8M203 L205 Y251 N253 S254 A260 L261M203-A257 HydrophobicContact CB-CB 3.64Å; M203-A257 HydrophobicContact CG-CB 3.73Å; M203-A257 HydrophobicContact SD-CB 3.87Å; L205-A257 HydrophobicContact CD1-CB 4.22Å; L205-A257 WeakPolarHBondContact CD1-O 3.4Å; L205-A257 HydrophobicContact CD2-CB 4.1Å; L205-A257 HydrophobicContact CG-CB 4.16Å; Y251-A257 HydrophobicContact CD2-CB 3.71Å; Y251-A257 HydrophobicContact CG-CB 4.05Å; N253-A257 PolarHBondContact O-N 3.18Å; S254-A257 WeakPolarHBondContact O-CB 3.34Å; S254-A257 PolarHBondContact O-N 3.41Å; A257-A260 PolarHBondContact O-N 3.32Å; A257-L261 WeakPolarHBondContact O-CB 3.23Å; A257-L261 PolarHBondContact O-N 3.25Å
258K88.5Confident88.8Confident91 Ų9152.5 Ų52.540%0.39627%0.272SS..Hα-helixtrans-65.6-43.9176.7-75.2177.5-178.6179.50111.8M203 S254 D256 A260 L261 D262M203-K258 HydrophobicContact SD-CG 4.22Å; S254-K258 WeakPolarHBondContact O-CG 3.47Å; S254-K258 PolarHBondContact O-N 3.24Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.48Å; K258-A260 VanDerWaalsContact C-N 3.32Å; K258-A260 PolarHBondContact O-N 3.35Å; K258-L261 PolarHBondContact O-N 3.22Å; K258-D262 PolarHBondContact O-N 3.43Å
259K89.4Confident88.4Confident109 Ų10951 Ų5147%0.47427%0.266SS..Hα-helixtrans-60.4-43174.7-69.6169.4-171.1167.10111.6D255 D256 Q263D255-K259 WeakPolarHBondContact O-CG 3.16Å; D255-K259 PolarHBondContact O-N 3.23Å; D256-K259 PolarHBondContact O-N 3.28Å; D256-K259 IonicContact OD1-NZ 3.85Å; K259-Q263 WeakPolarHBondContact O-CB 3.38Å; K259-Q263 WeakPolarHBondContact O-CG 3.47Å; K259-Q263 PolarHBondContact O-N 2.68Å; K259-Q263 VanDerWaalsContact O-N 3.14Å
260A90.5Very high87.9Confident0 Ų054 Ų540%029%0.291CS..Hα-helixtrans-63.3-43.2175.700000111.3L205 F223 F226 Y251 D256 A257 K258 Q263 L264L205-A260 HydrophobicContact CD1-CB 4.04Å; F223-A260 HydrophobicContact CD1-CB 4.3Å; F223-A260 HydrophobicContact CE1-CB 4.49Å; F226-A260 HydrophobicContact CB-CB 3.8Å; F226-A260 HydrophobicContact CD1-CB 4.45Å; F226-A260 HydrophobicContact CD2-CB 4.32Å; F226-A260 HydrophobicContact CG-CB 3.93Å; Y251-A260 HydrophobicContact CE2-CB 3.8Å; Y251-A260 WeakPolarHBondContact OH-CB 3.47Å; D256-A260 WeakPolarHBondContact O-CB 3.06Å; D256-A260 PolarHBondContact O-N 3.05Å; A257-A260 PolarHBondContact O-N 3.32Å; K258-A260 VanDerWaalsContact C-N 3.32Å; K258-A260 PolarHBondContact O-N 3.35Å; A260-Q263 PolarHBondContact O-N 2.88Å; A260-L264 HydrophobicContact CB-CD1 4.28Å; A260-L264 WeakPolarHBondContact O-CB 3.2Å; A260-L264 WeakPolarHBondContact O-CG 3.44Å; A260-L264 PolarHBondContact O-N 3.25Å
261L90.1Very high87.4Confident34 Ų3456.4 Ų56.418%0.17832%0.32CS..Hα-helixtrans-59.3-49.7176.8-175.7153.5000111.6L205 A257 K258 Q263 N265 V276 H278L205-L261 HydrophobicContact CD2-CB 4.32Å; L205-L261 HydrophobicContact CD2-CD1 4.11Å; A257-L261 WeakPolarHBondContact O-CB 3.23Å; A257-L261 PolarHBondContact O-N 3.25Å; K258-L261 PolarHBondContact O-N 3.22Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 2.95Å; L261-N265 WeakPolarHBondContact O-CB 3.39Å; L261-N265 PolarHBondContact O-N 3.18Å; L261-N265 VanDerWaalsContact O-N 3.14Å; L261-V276 HydrophobicContact CB-CG1 4.32Å; L261-V276 HydrophobicContact CG-CG1 4.36Å; L261-H278 HydrophobicContact CD1-CB 4.17Å
262D88.6Confident87Confident128 Ų12861.4 Ų61.468%0.68434%0.339SS*.Hα-helixtrans-67.3-33.1-176.7-71.9-22.6000112.7K258K258-D262 PolarHBondContact O-N 3.43Å
263Q87.8Confident86.9Confident130 Ų13061.1 Ų61.161%0.60734%0.339SS*.Hα-helixtrans-93-30.9-175.6-67.6-174.149.800114.1F226 K259 A260 L261F226-Q263 HydrophobicContact CE1-CB 3.57Å; F226-Q263 HydrophobicContact CE1-CG 4.1Å; F226-Q263 HydrophobicContact CZ-CB 3.97Å; K259-Q263 WeakPolarHBondContact O-CB 3.38Å; K259-Q263 WeakPolarHBondContact O-CG 3.47Å; K259-Q263 PolarHBondContact O-N 2.68Å; K259-Q263 VanDerWaalsContact O-N 3.14Å; A260-Q263 PolarHBondContact O-N 2.88Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 2.95Å
264L88.2Confident87Confident6 Ų657.6 Ų57.63%0.03132%0.32CS..Hα-helixtrans-95.7-14.8-177.5-63.2175.1000113.3I222 F223 F226 A260 G266 F267 M274 V276I222-L264 HydrophobicContact CG2-CD1 4.07Å; I222-L264 HydrophobicContact CG2-CD2 3.61Å; F223-L264 HydrophobicContact CD1-CD1 3.58Å; F223-L264 HydrophobicContact CD2-CD1 3.89Å; F223-L264 HydrophobicContact CE1-CD1 3.41Å; F223-L264 VanDerWaalsContact CE1-CD1 3.41Å; F223-L264 HydrophobicContact CE2-CD1 3.74Å; F223-L264 HydrophobicContact CG-CD1 3.82Å; F223-L264 HydrophobicContact CZ-CB 4.44Å; F223-L264 HydrophobicContact CZ-CD1 3.48Å; F223-L264 VanDerWaalsContact CZ-CD1 3.48Å; F226-L264 HydrophobicContact CD2-CD1 3.84Å; F226-L264 HydrophobicContact CD2-CG 4.29Å; F226-L264 HydrophobicContact CE2-CD1 3.57Å; F226-L264 HydrophobicContact CE2-CD2 3.63Å; F226-L264 HydrophobicContact CE2-CG 3.61Å; F226-L264 HydrophobicContact CZ-CD1 4.29Å; F226-L264 HydrophobicContact CZ-CD2 3.83Å; F226-L264 HydrophobicContact CZ-CG 3.84Å; A260-L264 HydrophobicContact CB-CD1 4.28Å; A260-L264 WeakPolarHBondContact O-CB 3.2Å; A260-L264 WeakPolarHBondContact O-CG 3.44Å; A260-L264 PolarHBondContact O-N 3.25Å; L264-G266 PolarHBondContact O-N 2.94Å; L264-G266 VanDerWaalsContact O-N 3.12Å; L264-F267 HydrophobicContact CD2-CB 4.44Å; L264-F267 HydrophobicContact CD2-CG 4.43Å; L264-F267 VanDerWaalsContact O-CB 3.32Å; L264-F267 WeakPolarHBondContact O-CB 3.35Å; L264-F267 PolarHBondContact O-N 3.41Å; L264-M274 HydrophobicContact CB-SD 4.15Å; L264-M274 WeakPolarHBondContact O-CG 3.33Å; L264-V276 HydrophobicContact CB-CG2 3.98Å
265N88.6Confident87.1Confident83 Ų8363.3 Ų63.344%0.44434%0.344SS..THydrogen-bonded Turntrans-66.5114.1174.9-171.627.5000110.6L261 V276L261-N265 WeakPolarHBondContact O-CB 3.39Å; L261-N265 PolarHBondContact O-N 3.18Å; L261-N265 VanDerWaalsContact O-N 3.14Å; N265-V276 HydrophobicContact CB-CB 4.2Å; N265-V276 PolarHBondContact OD1-N 3.48Å
266G86.8Confident87.4Confident43 Ų4360.4 Ų60.444%0.44333%0.329SS..THydrogen-bonded Turntrans95.5-1-174.300000114.7L264 E268 M274L264-G266 PolarHBondContact O-N 2.94Å; L264-G266 VanDerWaalsContact O-N 3.12Å; G266-E268 PolarHBondContact O-N 2.86Å; G266-M274 WeakPolarHBondContact CA-O 3.22Å; G266-M274 PolarHBondContact N-O 3.39Å
267F87.5Confident87.3Confident49 Ų4963 Ų6322%0.21534%0.342CS..  trans-66.6125.4179.3-173.1-94.5000111.4L264 L269 M274 N444L264-F267 HydrophobicContact CD2-CB 4.44Å; L264-F267 HydrophobicContact CD2-CG 4.43Å; L264-F267 VanDerWaalsContact O-CB 3.32Å; L264-F267 WeakPolarHBondContact O-CB 3.35Å; L264-F267 PolarHBondContact O-N 3.41Å; F267-L269 PolarHBondContact O-N 3.3Å; F267-M274 HydrophobicContact CB-CE 4.22Å; F267-M274 HydrophobicContact CB-CG 4.07Å; F267-M274 HydrophobicContact CB-SD 4.21Å; F267-M274 HydrophobicContact CD1-CE 3.66Å; F267-M274 HydrophobicContact CG-CE 4.39Å; F267-M274 WeakPolarHBondContact O-CG 3.17Å; F267-M274 PolarHBondContact O-N 3.45Å; F267-N444 WeakPolarHBondContact CZ-OD1 3.21Å
268E86.1Confident87.1Confident127 Ų12768.8 Ų68.859%0.59337%0.37SS*.EExtended strand (participates in β ladder)trans-77.6116.5179.8-66.9-169.2161.500111.4G266 P273G266-E268 PolarHBondContact O-N 2.86Å; E268-P273 HydrophobicContact CG-CB 4.24Å
269L83.2Confident86.6Confident16 Ų1666.2 Ų66.28%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-121.1118.6177.5-17058.8000109.4L210 I214 I222 F267 G271 R272 M274L210-L269 HydrophobicContact CD2-CD2 4.36Å; I214-L269 HydrophobicContact CD1-CB 4.12Å; I214-L269 HydrophobicContact CD1-CD2 3.4Å; I214-L269 HydrophobicContact CD1-CG 3.52Å; I214-L269 HydrophobicContact CG1-CD2 4Å; I214-L269 HydrophobicContact CG1-CG 4.08Å; I214-L269 HydrophobicContact CG2-CD2 4.19Å; I222-L269 HydrophobicContact CD1-CD1 3.58Å; I222-L269 HydrophobicContact CD1-CD2 3.54Å; I222-L269 HydrophobicContact CD1-CG 4.23Å; F267-L269 PolarHBondContact O-N 3.3Å; L269-G271 VanDerWaalsContact C-N 3.29Å; L269-G271 PolarHBondContact O-N 2.89Å; L269-R272 PolarHBondContact N-O 3.21Å; L269-R272 PolarHBondContact O-N 3.34Å; L269-M274 HydrophobicContact CB-CE 3.69Å; L269-M274 HydrophobicContact CD2-CE 3.58Å; L269-M274 HydrophobicContact CG-CE 4.24Å
270A81.7Confident85.4Confident64 Ų6466.7 Ų66.753%0.52937%0.374SS..THydrogen-bonded Turntrans53.642.1-174.100000113.5H211 R272H211-A270 HydrophobicContact CB-CB 3.76Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 2.81Å
271G80.3Confident83.8Confident73 Ų7373 Ų7375%0.75340%0.403SS*.THydrogen-bonded Turntrans76.510.417800000115L269L269-G271 VanDerWaalsContact C-N 3.29Å; L269-G271 PolarHBondContact O-N 2.89Å
272R83Confident81.7Confident104 Ų10482.5 Ų82.539%0.39244%0.436SS..EExtended strand (participates in β ladder)trans-126.3128.2175.5-165.3171.5-179.3174.91.7110.6S209 L269 A270 M274S209-R272 VanDerWaalsContact O-CD 3.22Å; S209-R272 WeakPolarHBondContact O-CD 3.32Å; S209-R272 WeakPolarHBondContact O-CG 3.36Å; L269-R272 PolarHBondContact N-O 3.21Å; L269-R272 PolarHBondContact O-N 3.34Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 2.81Å; R272-M274 PolarHBondContact O-N 3Å
273P86.1Confident79.5Confident63 Ų6380.8 Ų80.841%0.40944%0.435SS..EExtended strand (participates in β ladder)trans-67.9120.8176.226.6-33.2000110S209 E268S209-P273 WeakPolarHBondContact CB-O 3.14Å; E268-P273 HydrophobicContact CG-CB 4.24Å
274M89.5Confident77Confident1 Ų183.1 Ų83.11%0.00545%0.446CS..  trans-72.1144.8173.879.3177.760.400110.1I207 L210 F223 L264 G266 F267 L269 R272 V276I207-M274 HydrophobicContact CG2-CB 4.44Å; I207-M274 HydrophobicContact CG2-SD 4.42Å; L210-M274 HydrophobicContact CD2-CB 4.2Å; F223-M274 HydrophobicContact CE2-SD 4.31Å; F223-M274 HydrophobicContact CZ-SD 4.35Å; L264-M274 HydrophobicContact CB-SD 4.15Å; L264-M274 WeakPolarHBondContact O-CG 3.33Å; G266-M274 WeakPolarHBondContact CA-O 3.22Å; G266-M274 PolarHBondContact N-O 3.39Å; F267-M274 HydrophobicContact CB-CE 4.22Å; F267-M274 HydrophobicContact CB-CG 4.07Å; F267-M274 HydrophobicContact CB-SD 4.21Å; F267-M274 HydrophobicContact CD1-CE 3.66Å; F267-M274 HydrophobicContact CG-CE 4.39Å; F267-M274 WeakPolarHBondContact O-CG 3.17Å; F267-M274 PolarHBondContact O-N 3.45Å; L269-M274 HydrophobicContact CB-CE 3.69Å; L269-M274 HydrophobicContact CD2-CE 3.58Å; L269-M274 HydrophobicContact CG-CE 4.24Å; R272-M274 PolarHBondContact O-N 3Å; M274-V276 HydrophobicContact CG-CG2 4.13Å; M274-V276 HydrophobicContact SD-CG2 4.09Å
275K88.8Confident74.9Confident122 Ų12294 Ų9453%0.5349%0.488SS..EExtended strand (participates in β ladder)trans-111.1118.8175.9-67.4-173.4175.9-1760108.7I207 G208I207-K275 CarbonylContact C-O 3.57Å; I207-K275 WeakPolarHBondContact CA-O 3.46Å; G208-K275 PolarHBondContact N-O 2.86Å; G208-K275 PolarHBondContact O-N 2.95Å
276V91.5Very high72.5Confident0 Ų094 Ų940%050%0.499CS..EExtended strand (participates in β ladder)trans-109.7121.9179.9-172.50000108.8L205 Y206 I207 F223 L261 L264 N265 M274L205-V276 HydrophobicContact CB-CG1 4.19Å; L205-V276 HydrophobicContact CD1-CG1 4.06Å; Y206-V276 CarbonylContact O-C 3.51Å; Y206-V276 WeakPolarHBondContact O-CA 3.49Å; I207-V276 HydrophobicContact CG2-CG2 4.5Å; F223-V276 HydrophobicContact CZ-CG2 4.2Å; L261-V276 HydrophobicContact CB-CG1 4.32Å; L261-V276 HydrophobicContact CG-CG1 4.36Å; L264-V276 HydrophobicContact CB-CG2 3.98Å; N265-V276 HydrophobicContact CB-CB 4.2Å; N265-V276 PolarHBondContact OD1-N 3.48Å; M274-V276 HydrophobicContact CG-CG2 4.13Å; M274-V276 HydrophobicContact SD-CG2 4.09Å
277N88.4Confident69.9Low79 Ų7997.4 Ų97.442%0.42252%0.515SS..EExtended strand (participates in β ladder)trans-125.7153.5178.6-71.8-47.3000110.6L205 Y206L205-N277 CarbonylContact C-O 3.52Å; L205-N277 WeakPolarHBondContact CA-O 3.21Å; Y206-N277 HydrophobicContact CD1-CB 4.26Å; Y206-N277 PolarHBondContact N-O 2.76Å; Y206-N277 PolarHBondContact O-N 3.4Å
278H85.2Confident67.5Low123 Ų123103.3 Ų103.357%0.56955%0.548SS*.EExtended strand (participates in β ladder)trans-66.9137.6166.255179.3000111.5M203 L261M203-H278 HydrophobicContact CE-CB 3.61Å; L261-H278 HydrophobicContact CD1-CB 4.17Å
279V78.5Confident65.3Low37 Ų37102.8 Ų102.822%0.22456%0.558CS.*  trans-98.3111169.1-178.40000107.8K204 Y206 F248 E281K204-V279 HydrophobicContact CB-CB 4.12Å; K204-V279 HydrophobicContact CD-CG1 4.41Å; K204-V279 HydrophobicContact CG-CB 4.15Å; K204-V279 HydrophobicContact CG-CG2 4.27Å; K204-V279 WeakPolarHBondContact O-CB 3.36Å; K204-V279 PolarHBondContact O-N 2.96Å; Y206-V279 VanDerWaalsContact CB-CG2 3.46Å; F248-V279 HydrophobicContact CD1-CG2 3.85Å; F248-V279 HydrophobicContact CE1-CG2 3.88Å; V279-E281 HydrophobicContact CG1-CG 4.29Å; V279-E281 PolarHBondContact O-N 3.41Å
280T64.3Low63.7Low119 Ų119106.1 Ų106.173%0.7359%0.588SS**  trans-76.2109.4156.349.30000105.7R282T280-R282 VanDerWaalsContact C-N 3.33Å; T280-R282 PolarHBondContact O-N 3.22Å
281E56.1Low61.9Low132 Ų132111.7 Ų111.762%0.61761%0.608SS**  trans-61.6103.9173.8-69.7-154.4145.800107.8K204 V279 S283K204-E281 HydrophobicContact CD-CG 4.37Å; K204-E281 VanDerWaalsContact CD-OE1 3.27Å; K204-E281 WeakPolarHBondContact CD-OE1 3.43Å; K204-E281 IonicContact NZ-OE1 3.33Å; K204-E281 PolarHBondContact NZ-OE1 3.14Å; V279-E281 HydrophobicContact CG1-CG 4.29Å; V279-E281 PolarHBondContact O-N 3.41Å; E281-S283 PolarHBondContact O-N 2.85Å
282R46.4Very low59.9Low233 Ų233115.1 Ų115.188%0.87961%0.609SS**  trans-72.182.2167.9-148.4-179.4-165.9-178.83.9105.3T280 E284T280-R282 VanDerWaalsContact C-N 3.33Å; T280-R282 PolarHBondContact O-N 3.22Å; R282-E284 PolarHBondContact O-N 3.46Å
283S41.1Very low58Low93 Ų93116.5 Ų116.565%0.6562%0.624SS**  trans-59.5107.6173.9-164.90000107.6E281 Y285E281-S283 PolarHBondContact O-N 2.85Å; S283-Y285 PolarHBondContact O-N 3.07Å
284E36.4Very low56.2Low179 Ų179120.2 Ų120.284%0.83664%0.641SS**THydrogen-bonded Turntrans-71.162.5179.3-68.6-172.812800111R282R282-E284 PolarHBondContact O-N 3.46Å
285Y43.7Very low54Low234 Ų234126.8 Ų126.892%0.91867%0.671SS**THydrogen-bonded Turntrans-150.113.7159.7-78.5-70.2000113S283S283-Y285 PolarHBondContact O-N 3.07Å
286A38.1Very low52.2Low82 Ų82124.9 Ų124.968%0.67868%0.678SS**  trans-119.648.9171.400000110.9
287C31.5Very low50.2Low115 Ų115132.5 Ų132.578%0.77772%0.719SS**  trans-83.7124.7163.4-1610000107.4
288L38Very low48.5Very low173 Ų173139 Ų13991%0.90674%0.738SS**SBendtrans123.34.7162.9-61172.9000118.6
289S39.2Very low46.8Very low117 Ų117137.8 Ų137.882%0.81874%0.743SS**SBendtrans-143.419-179.265.20000118.4
290A49.6Very low45.4Very low85 Ų85139 Ų13970%0.70276%0.764SS**  trans-129.213.7-178.900000115.1D292A290-D292 VanDerWaalsContact C-N 3.26Å; A290-D292 PolarHBondContact O-N 3.29Å
291L44.2Very low45.1Very low182 Ų182139 Ų13995%0.95376%0.763SS**SBendtrans-9355.1169.9-63.7177.1000110.1
292D38Very low45Very low144 Ų144141.1 Ų141.177%0.7778%0.778SS**  trans-164.370.9165.8-161.453.2000107.7A290A290-D292 VanDerWaalsContact C-N 3.26Å; A290-D292 PolarHBondContact O-N 3.29Å
293N43.6Very low45.7Very low134 Ų134133.2 Ų133.272%0.71775%0.753SS**  trans-142.775.5170.8-123.6-14.3000109.2E295N293-E295 PolarHBondContact O-N 3.08Å
294D47.8Very low47Very low140 Ų140131.2 Ų131.275%0.74975%0.748SS**THydrogen-bonded Turntrans-60.727.6169.2-120-88.4000113.3
295E44.5Very low48.4Very low140 Ų140128.7 Ų128.765%0.65475%0.745SS**THydrogen-bonded Turntrans-112.6-12.9-171.1-159.5154.4112.900113.1N293N293-E295 PolarHBondContact O-N 3.08Å
296A49.7Very low49.6Very low82 Ų82122.3 Ų122.368%0.67873%0.73SS**THydrogen-bonded Turntrans-79.1-18.1176.500000114.2R298A296-R298 VanDerWaalsContact C-N 3.34Å
297D49.7Very low51.2Low160 Ų160119.2 Ų119.286%0.85671%0.706SS**THydrogen-bonded Turntrans-88.11.1175-80.9-43.9000113.6
298R52.5Low53Low215 Ų215121.7 Ų121.781%0.81170%0.699SS**SBendtrans-98.9-14-179.1-97.1179.5170.6159.90.8115.3A296 G300A296-R298 VanDerWaalsContact C-N 3.34Å; R298-G300 PolarHBondContact O-N 3.21Å
299S49.7Very low54.5Low97 Ų97115.2 Ų115.268%0.67867%0.665SS**SBendtrans-87.780.7173.258.90000110V301S299-V301 PolarHBondContact O-N 3.12Å
300G49.6Very low56.1Low64 Ų64111.9 Ų111.966%0.6665%0.645SS**  trans-54125.4175.900000111.6R298 D302R298-G300 PolarHBondContact O-N 3.21Å; G300-D302 PolarHBondContact O-N 2.87Å
301V57.6Low57.2Low119 Ų119111.4 Ų111.472%0.72163%0.63SS**  trans-59.6121.7169.4-147.80000107.5S299 L303S299-V301 PolarHBondContact O-N 3.12Å; V301-L303 HydrophobicContact CB-CD1 3.47Å; V301-L303 VanDerWaalsContact CB-CD1 3.47Å; V301-L303 HydrophobicContact CG1-CD1 3.64Å; V301-L303 HydrophobicContact CG2-CD1 4.42Å; V301-L303 PolarHBondContact O-N 3.03Å
302D54.9Low58.3Low175 Ų175108 Ų10894%0.93661%0.611SS**  trans-66.973.5177.2-85.5-47.6000110.6G300G300-D302 PolarHBondContact O-N 2.87Å
303L59.9Low59.8Low67 Ų67102.2 Ų102.235%0.35158%0.583SS.*  trans-83.3123.7168.6-84.978.5000108.1V301 G307 R308 L311V301-L303 HydrophobicContact CB-CD1 3.47Å; V301-L303 VanDerWaalsContact CB-CD1 3.47Å; V301-L303 HydrophobicContact CG1-CD1 3.64Å; V301-L303 HydrophobicContact CG2-CD1 4.42Å; V301-L303 PolarHBondContact O-N 3.03Å; L303-G307 WeakPolarHBondContact CD2-O 3.39Å; L303-R308 HydrophobicContact CB-CB 4.49Å; L303-L311 HydrophobicContact CD2-CB 4.18Å; L303-L311 HydrophobicContact CD2-CD1 3.99Å
304G69.5Low61.1Low52 Ų52103.6 Ų103.654%0.53658%0.582SS.*  trans-53166.3168.300000111.9T306 G307 R308G304-T306 PolarHBondContact O-N 3.28Å; G304-G307 WeakPolarHBondContact O-CA 3.33Å; G304-G307 PolarHBondContact O-N 2.84Å; G304-R308 PolarHBondContact O-N 3.14Å
305T64.6Low62.3Low125 Ų125102.6 Ų102.677%0.76758%0.577SS**Hα-helixtrans-47.5-41.1-17546.10000113.4L309T305-L309 WeakPolarHBondContact O-CD1 3.11Å; T305-L309 WeakPolarHBondContact O-CG 3.46Å; T305-L309 PolarHBondContact O-N 2.9Å; T305-L309 VanDerWaalsContact O-N 3.14Å
306T68.7Low63.3Low100 Ų10096.9 Ų96.961%0.61355%0.553SS**Hα-helixtrans-68.4-41.4176.5-135.30000113.1G304 L309 A310G304-T306 PolarHBondContact O-N 3.28Å; T306-L309 PolarHBondContact O-N 3.33Å; T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 2.9Å
307G72.7Confident63.9Low17 Ų17100.7 Ų100.718%0.17556%0.557CS.*Hα-helixtrans-69.4-38.3179.100000111.8L303 G304 A310 L311L303-G307 WeakPolarHBondContact CD2-O 3.39Å; G304-G307 WeakPolarHBondContact O-CA 3.33Å; G304-G307 PolarHBondContact O-N 2.84Å; G307-A310 PolarHBondContact O-N 2.99Å; G307-L311 WeakPolarHBondContact O-CB 3.24Å; G307-L311 PolarHBondContact O-N 3.43Å
308R69.3Low64.5Low168 Ų16896.9 Ų96.963%0.63456%0.555SS**Hα-helixtrans-65.4-40.8176.5-169.3173.9-176160.81.9111.5L303 G304 L311 M312L303-R308 HydrophobicContact CB-CB 4.49Å; G304-R308 PolarHBondContact O-N 3.14Å; R308-L311 PolarHBondContact O-N 3.02Å; R308-M312 WeakPolarHBondContact O-CB 3.42Å; R308-M312 VanDerWaalsContact O-CG 3.3Å; R308-M312 WeakPolarHBondContact O-CG 3.43Å; R308-M312 PolarHBondContact O-N 3.43Å
309L69Low65Low36 Ų3690.8 Ų90.819%0.18854%0.542CS..Hα-helixtrans-64.3-42.4173.7-78.2163000112.1T305 T306 M312 A313 A327 Q330 L331T305-L309 WeakPolarHBondContact O-CD1 3.11Å; T305-L309 WeakPolarHBondContact O-CG 3.46Å; T305-L309 PolarHBondContact O-N 2.9Å; T305-L309 VanDerWaalsContact O-N 3.14Å; T306-L309 PolarHBondContact O-N 3.33Å; L309-M312 PolarHBondContact O-N 3.48Å; L309-A313 PolarHBondContact O-N 3.39Å; L309-A327 HydrophobicContact CD2-CB 3.93Å; L309-Q330 HydrophobicContact CD1-CB 4.31Å; L309-L331 HydrophobicContact CB-CD1 4.3Å; L309-L331 HydrophobicContact CB-CG 4.36Å
310A72.6Confident65.5Low47 Ų4790 Ų9039%0.38855%0.549SS..Hα-helixtrans-65.1-39.3176.500000112.6T306 G307 A313 K314T306-A310 WeakPolarHBondContact O-CB 3.5Å; T306-A310 PolarHBondContact O-N 2.9Å; G307-A310 PolarHBondContact O-N 2.99Å; A310-A313 PolarHBondContact O-N 2.93Å; A310-K314 WeakPolarHBondContact O-CB 3.45Å; A310-K314 PolarHBondContact O-N 2.85Å
311L73.8Confident66Low75 Ų7593.1 Ų93.139%0.39355%0.55SS..Hα-helixtrans-66.2-43.9174.7-170.6158.7000110.8L303 G307 R308 A313 K314 L315L303-L311 HydrophobicContact CD2-CB 4.18Å; L303-L311 HydrophobicContact CD2-CD1 3.99Å; G307-L311 WeakPolarHBondContact O-CB 3.24Å; G307-L311 PolarHBondContact O-N 3.43Å; R308-L311 PolarHBondContact O-N 3.02Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.44Å; L311-K314 PolarHBondContact O-N 2.92Å; L311-L315 HydrophobicContact CD2-CD1 3.38Å; L311-L315 HydrophobicContact CD2-CG 3.89Å; L311-L315 WeakPolarHBondContact O-CG 3.43Å; L311-L315 PolarHBondContact O-N 3.18Å
312M67Low66Low111 Ų11196.6 Ų96.655%0.54756%0.559SS.*Hα-helixtrans-59.9-38.4174.5-78-173.2140.900112.4R308 L309 A316R308-M312 WeakPolarHBondContact O-CB 3.42Å; R308-M312 VanDerWaalsContact O-CG 3.3Å; R308-M312 WeakPolarHBondContact O-CG 3.43Å; R308-M312 PolarHBondContact O-N 3.43Å; L309-M312 PolarHBondContact O-N 3.48Å; M312-A316 WeakPolarHBondContact O-CB 3.37Å; M312-A316 PolarHBondContact O-N 2.88Å
313A70Confident66.1Low23 Ų2391 Ų9119%0.1953%0.528CS..Hα-helixtrans-66.1-44.5174.800000112L309 A310 L311 L315 A316 E317 I323 L331L309-A313 PolarHBondContact O-N 3.39Å; A310-A313 PolarHBondContact O-N 2.93Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.44Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-L315 PolarHBondContact O-N 3.21Å; A313-A316 PolarHBondContact O-N 3.25Å; A313-A316 VanDerWaalsContact O-N 3.13Å; A313-E317 PolarHBondContact O-N 3.41Å; A313-I323 HydrophobicContact CB-CD1 4.04Å; A313-L331 HydrophobicContact CB-CD1 4.43Å
314K71.1Confident66.1Low162 Ų16292.1 Ų92.170%0.70454%0.539SS*.Hα-helixtrans-69.4-27.9-178.8-154.5169.2-173.3174.60113.7A310 L311A310-K314 WeakPolarHBondContact O-CB 3.45Å; A310-K314 PolarHBondContact O-N 2.85Å; L311-K314 PolarHBondContact O-N 2.92Å
315L71.5Confident65.7Low120 Ų12098.5 Ų98.563%0.62855%0.552SS**Hα-helixtrans-78.8-24.4171.9-70.9-177.9000113.1L311 A313 T319L311-L315 HydrophobicContact CD2-CD1 3.38Å; L311-L315 HydrophobicContact CD2-CG 3.89Å; L311-L315 WeakPolarHBondContact O-CG 3.43Å; L311-L315 PolarHBondContact O-N 3.18Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-L315 PolarHBondContact O-N 3.21Å; L315-T319 PolarHBondContact O-OG1 3.37Å
316A66.6Low65.3Low20 Ų2096.1 Ų96.117%0.16555%0.545CS..Hα-helixtrans-84.5-20.6176.100000112.6M312 A313 G318 T319 I323M312-A316 WeakPolarHBondContact O-CB 3.37Å; M312-A316 PolarHBondContact O-N 2.88Å; A313-A316 PolarHBondContact O-N 3.25Å; A313-A316 VanDerWaalsContact O-N 3.13Å; A316-G318 VanDerWaalsContact C-N 3.27Å; A316-G318 PolarHBondContact O-N 3.24Å; A316-T319 PolarHBondContact O-N 3.14Å; A316-I323 HydrophobicContact CB-CD1 3.75Å; A316-I323 HydrophobicContact CB-CG1 3.57Å
317E62.6Low64.6Low162 Ų16292.2 Ų92.276%0.75752%0.523SS*.THydrogen-bonded Turntrans-65.181.3168.7-78.8-177.8158.900111.1A313A313-E317 PolarHBondContact O-N 3.41Å
318G61.4Low64Low79 Ų7994.8 Ų94.881%0.81453%0.533SS*.THydrogen-bonded Turntrans135.5-8.7173.600000115.4A316A316-G318 VanDerWaalsContact C-N 3.27Å; A316-G318 PolarHBondContact O-N 3.24Å
319T63.1Low63.5Low88 Ų8889 Ų8954%0.5452%0.52SS..THydrogen-bonded Turntrans-103.92.1-17655.80000114.4L315 A316 L321L315-T319 PolarHBondContact O-OG1 3.37Å; A316-T319 PolarHBondContact O-N 3.14Å; T319-L321 PolarHBondContact O-N 2.69Å; T319-L321 VanDerWaalsContact O-N 3.13Å
320G59.2Low62.8Low80 Ų8093.7 Ų93.783%0.82554%0.541SS*.  trans66.88.8177.900000114.8
321L60Low61.9Low129 Ų12994.3 Ų94.368%0.67554%0.538SS*.PPolyproline II helixtrans-84.9117.7172.2-96.378000110.1T319 I323T319-L321 PolarHBondContact O-N 2.69Å; T319-L321 VanDerWaalsContact O-N 3.13Å; L321-I323 PolarHBondContact O-N 3.23Å
322E57.9Low61Low193 Ų19396.2 Ų96.290%0.90254%0.544SS*.PPolyproline II helixtrans-67.7118.8173.8-72.4-157.9139.100111.3
323I58.1Low60.2Low58 Ų5897.4 Ų97.430%0.29755%0.552SS.*PPolyproline II helixtrans-69.5129.3171.5-54.5162000108.3A313 A316 L321 K325 A327A313-I323 HydrophobicContact CB-CD1 4.04Å; A316-I323 HydrophobicContact CB-CD1 3.75Å; A316-I323 HydrophobicContact CB-CG1 3.57Å; L321-I323 PolarHBondContact O-N 3.23Å; I323-K325 PolarHBondContact O-N 2.9Å; I323-A327 HydrophobicContact CG2-CB 3.95Å
324P58.4Low58.9Low90 Ų9099.9 Ų99.958%0.58458%0.58SS**PPolyproline II helixtrans-60.3132.2179.222.2-31.9000111.4A326 A327P324-A326 PolarHBondContact O-N 3.37Å; P324-A327 HydrophobicContact CG-CB 4.43Å; P324-A327 WeakPolarHBondContact O-CB 3.46Å; P324-A327 PolarHBondContact O-N 3.36Å
325K61.7Low57.9Low185 Ų18599.2 Ų99.280%0.80458%0.579SS**Hα-helixtrans-50-27.1-177.1-71.1178.2179.1172.30114.4I323 L328 A329I323-K325 PolarHBondContact O-N 2.9Å; K325-L328 PolarHBondContact O-N 2.8Å; K325-A329 PolarHBondContact O-N 3.32Å
326A56.6Low56.1Low75 Ų75100.5 Ų100.562%0.6259%0.587SS**Hα-helixtrans-64.6-34.9175.200000113.5P324 Q330P324-A326 PolarHBondContact O-N 3.37Å; A326-Q330 PolarHBondContact O-N 3.16Å
327A54.8Low54.9Low19 Ų19107.6 Ų107.616%0.15762%0.622CS.*Hα-helixtrans-76.1-33.6177.700000112L309 I323 P324 Q330 L331L309-A327 HydrophobicContact CD2-CB 3.93Å; I323-A327 HydrophobicContact CG2-CB 3.95Å; P324-A327 HydrophobicContact CG-CB 4.43Å; P324-A327 WeakPolarHBondContact O-CB 3.46Å; P324-A327 PolarHBondContact O-N 3.36Å; A327-Q330 PolarHBondContact O-N 2.81Å; A327-L331 PolarHBondContact O-N 3.41Å
328L59Low53.8Low71 Ų71105 Ų10537%0.37262%0.619SS.*Hα-helixtrans-66.5-38.2171.7-82.6164.8000112.1K325 Q330 L331 H332K325-L328 PolarHBondContact O-N 2.8Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.25Å; L328-L331 PolarHBondContact O-N 3.17Å; L328-H332 PolarHBondContact O-N 3.4Å; L328-H332 PolarHBondContact O-ND1 3.29Å
329A59.1Low52.8Low45 Ų45109.5 Ų109.537%0.37262%0.623SS.*Hα-helixtrans-64.1-37.4177.300000112.2K325 L331 H332 I333K325-A329 PolarHBondContact O-N 3.32Å; A329-L331 VanDerWaalsContact C-N 3.29Å; A329-L331 PolarHBondContact O-N 3.06Å; A329-H332 PolarHBondContact O-N 3.46Å; A329-I333 HydrophobicContact CB-CD1 4.42Å; A329-I333 VanDerWaalsContact O-CD1 3.25Å; A329-I333 WeakPolarHBondContact O-CD1 3.18Å; A329-I333 WeakPolarHBondContact O-CG1 3.25Å; A329-I333 PolarHBondContact O-N 3.4Å; A329-I333 VanDerWaalsContact O-N 3.16Å
330Q54.7Low51.5Low135 Ų135113.7 Ų113.763%0.63164%0.641SS**Hα-helixtrans-70.8-21.9177-70.4-162.9-48.600114L309 A326 A327 L328L309-Q330 HydrophobicContact CD1-CB 4.31Å; A326-Q330 PolarHBondContact O-N 3.16Å; A327-Q330 PolarHBondContact O-N 2.81Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.25Å
331L52.7Low50.2Low60 Ų60113.5 Ų113.531%0.31464%0.638SS.*Hα-helixtrans-76.8-24.8170.7-87.9153000112.9L309 A313 A327 L328 A329L309-L331 HydrophobicContact CB-CD1 4.3Å; L309-L331 HydrophobicContact CB-CG 4.36Å; A313-L331 HydrophobicContact CB-CD1 4.43Å; A327-L331 PolarHBondContact O-N 3.41Å; L328-L331 PolarHBondContact O-N 3.17Å; A329-L331 VanDerWaalsContact C-N 3.29Å; A329-L331 PolarHBondContact O-N 3.06Å
332H55.9Low49Very low115 Ų115113.3 Ų113.353%0.53265%0.648SS.*Hα-helixtrans-98.4-15.2-175.9-72.487.1000114.6L328 A329 G334L328-H332 PolarHBondContact O-N 3.4Å; L328-H332 PolarHBondContact O-ND1 3.29Å; A329-H332 PolarHBondContact O-N 3.46Å; H332-G334 VanDerWaalsContact C-N 3.29Å; H332-G334 PolarHBondContact O-N 3.41Å
333I49.6Very low48Very low136 Ų136108.4 Ų108.470%0.69764%0.641SS**THydrogen-bonded Turntrans-79.9-7.7-177.3-69.9161.4000113.1A329 Q335A329-I333 HydrophobicContact CB-CD1 4.42Å; A329-I333 VanDerWaalsContact O-CD1 3.25Å; A329-I333 WeakPolarHBondContact O-CD1 3.18Å; A329-I333 WeakPolarHBondContact O-CG1 3.25Å; A329-I333 PolarHBondContact O-N 3.4Å; A329-I333 VanDerWaalsContact O-N 3.16Å; I333-Q335 VanDerWaalsContact C-N 3.31Å; I333-Q335 PolarHBondContact O-N 3.39Å
334G44Very low46.6Very low76 Ų76109 Ų10978%0.78466%0.661SS**THydrogen-bonded Turntrans-81.81.4173.900000115.7H332H332-G334 VanDerWaalsContact C-N 3.29Å; H332-G334 PolarHBondContact O-N 3.41Å
335Q48.7Very low45.4Very low147 Ų147110.1 Ų110.169%0.68767%0.671SS**SBendtrans-106.5-7.8-170.1-86.7-179.9-27.300115.9I333I333-Q335 VanDerWaalsContact C-N 3.31Å; I333-Q335 PolarHBondContact O-N 3.39Å
336N34.2Very low44.1Very low148 Ų148107.7 Ų107.779%0.79167%0.671SS**  trans-147.887.1-172.3-75.7-35.1000114.1
337N42Very low43Very low168 Ų168108.7 Ų108.790%0.89867%0.674SS**  trans-167.2134.6136.7-128.93.5000112.7
338P39.6Very low41.8Very low108 Ų108112.5 Ų112.570%0.70170%0.699SS**  trans-107.4135.9-168.637.2-26.5000114.5
339I39.9Very low40.5Very low174 Ų174114.3 Ų114.389%0.89272%0.718SS**  trans151.9113.6166-88.3161.9000103.7
340L35.3Very low39.3Very low176 Ų176116.9 Ų116.992%0.92173%0.733SS**SBendcis-156.3120.813.2-179.971.8000107
341G33.1Very low38.3Very low75 Ų75115.6 Ų115.677%0.77375%0.746SS**SBendtrans140.748.2170.700000118.9
342S34.2Very low37.6Very low125 Ų125119.7 Ų119.787%0.87477%0.766SS**  trans43.4126.2145.8-165.80000119.8
343A36.3Very low36.9Very low91 Ų91118 Ų11875%0.75277%0.772SS**  cis-162.4141.75.200000105.5
344G29.7Very low36.6Very low70 Ų70116.7 Ų116.772%0.72277%0.773SS**  81.290.487.800000110.9
345S31.7Very low37.1Very low114 Ų114118.3 Ų118.380%0.79777%0.769SS**  54.3102.897.91630000113.2
346V36.4Very low37.9Very low134 Ų134116.1 Ų116.181%0.81277%0.766SS**  -162.9138.7109.3-1290000110.6
347S31.8Very low39.8Very low95 Ų95111.8 Ų111.866%0.66475%0.747SS**  trans-8.7151.8153.450.70000121.2
348S30.3Very low41.9Very low100 Ų100104.5 Ų104.570%0.69971%0.708SS**  trans78.8113.1150.861.50000118.7
349S31.2Very low44.1Very low108 Ų108102 Ų10276%0.75569%0.687SS**  trans48.893.8140.758.50000117.9
350S34.7Very low46.5Very low99 Ų9993.7 Ų93.769%0.69264%0.644SS**  trans165.2130.6136.241.30000109.6I352S350-I352 PolarHBondContact O-N 3.47Å
351A32.9Very low49.1Very low109 Ų10985.3 Ų85.390%0.90160%0.601SS**  trans-72110.8173.500000108.5
352I37.6Very low51.9Low145 Ų14583.4 Ų83.474%0.74457%0.572SS**  trans-124.5116.3173.9-56.8177.6000107.4S350S350-I352 PolarHBondContact O-N 3.47Å
353A41.7Very low54.5Low79 Ų7977.4 Ų77.465%0.65353%0.53SS*.  trans-52.7155.1172.700000111.3
354P43.7Very low57Low110 Ų11073.8 Ų73.871%0.71450%0.499SS*.  trans-54.7137.2178.723.3-33.6000110.5V356P354-V356 PolarHBondContact O-N 3.09Å
355P54.6Low59.6Low109 Ų10973.1 Ų73.171%0.70848%0.479SS*.  trans-63.8105.6-175.825-32.9000109.7C357 Y439P355-C357 PolarHBondContact O-N 2.92Å; P355-Y439 HydrophobicContact CB-CD2 4.25Å
356V64.6Low61.9Low102 Ų10267.9 Ų67.962%0.61844%0.442SS*.  trans-69.8115.7175.2-175.80000107.7P354 T358 Y439P354-V356 PolarHBondContact O-N 3.09Å; V356-T358 HydrophobicContact CB-CG2 4.4Å; V356-T358 HydrophobicContact CG1-CG2 4.04Å; V356-T358 WeakPolarHBondContact O-CG2 3.43Å; V356-T358 PolarHBondContact O-N 3.32Å; V356-T358 VanDerWaalsContact O-N 3.16Å; V356-Y439 WeakPolarHBondContact O-CB 3.25Å
357C75.1Confident64Low57 Ų5761.9 Ų61.939%0.38541%0.405SS..  trans-61.9116.5174.7-173.90000109.4P355 I415 T419P355-C357 PolarHBondContact O-N 2.92Å; C357-I415 HydrophobicContact CB-CG2 4.43Å; C357-I415 WeakPolarHBondContact SG-CG2 3.46Å; C357-T419 PolarHBondContact SG-OG1 3.31Å
358T85Confident66Low14 Ų1459.4 Ų59.49%0.08638%0.384CS..  trans-132.7169.2-174.350.90000110.1V356 C360 A418 V440V356-T358 HydrophobicContact CB-CG2 4.4Å; V356-T358 HydrophobicContact CG1-CG2 4.04Å; V356-T358 WeakPolarHBondContact O-CG2 3.43Å; V356-T358 PolarHBondContact O-N 3.32Å; V356-T358 VanDerWaalsContact O-N 3.16Å; T358-C360 PolarHBondContact O-N 3.1Å; T358-C360 PolarHBondContact OG1-O 3.45Å; T358-C360 VanDerWaalsContact OG1-O 3.05Å; T358-A418 VanDerWaalsContact O-CB 3.29Å; T358-A418 WeakPolarHBondContact O-CB 3.42Å; T358-V440 PolarHBondContact OG1-O 3.46Å
359Q87.6Confident67.9Low56 Ų5656.4 Ų56.426%0.26236%0.363SS..SBendtrans-73.8-9.4177.1-62179.6-21.900113.3C412 I415 L442Q359-C412 PolarHBondContact O-N 2.9Å; Q359-I415 HydrophobicContact CG-CB 4.49Å; Q359-I415 HydrophobicContact CG-CG1 3.5Å; Q359-L442 HydrophobicContact CB-CD2 4.22Å
360C88.5Confident69.6Low0 Ų059.5 Ų59.50%037%0.365CS..EExtended strand (participates in β ladder)trans-117.7139.2-175.3-65.50000109.5T358 V410 V440 Y445T358-C360 PolarHBondContact O-N 3.1Å; T358-C360 PolarHBondContact OG1-O 3.45Å; T358-C360 VanDerWaalsContact OG1-O 3.05Å; C360-V410 WeakPolarHBondContact CA-O 3.26Å; C360-V440 HydrophobicContact CB-CB 4.42Å; C360-V440 WeakPolarHBondContact CB-O 3.5Å; C360-V440 PolarHBondContact O-N 3.36Å; C360-Y445 HydrophobicContact CB-CD2 3.62Å; C360-Y445 HydrophobicContact CB-CE2 4.29Å; C360-Y445 HydrophobicContact CB-CG 3.9Å; C360-Y445 VanDerWaalsContact SG-CG 3.56Å
361F91Very high71.5Confident0 Ų060.2 Ų60.20%037%0.365CS..EExtended strand (participates in β ladder)trans-140.5155173.563.4-90.3000110.6L363 V410 A418 C421 V422 L425 A438F361-L363 HydrophobicContact CD2-CD2 3.96Å; F361-L363 HydrophobicContact CD2-CG 4.1Å; F361-L363 HydrophobicContact CE2-CD1 4.19Å; F361-L363 HydrophobicContact CE2-CD2 3.86Å; F361-L363 HydrophobicContact CE2-CG 3.9Å; F361-V410 HydrophobicContact CD1-CB 4.47Å; F361-V410 HydrophobicContact CD2-CB 4.33Å; F361-V410 HydrophobicContact CE1-CB 3.98Å; F361-V410 HydrophobicContact CE1-CG1 3.97Å; F361-V410 HydrophobicContact CE2-CB 3.82Å; F361-V410 HydrophobicContact CE2-CG1 4.41Å; F361-V410 HydrophobicContact CE2-CG2 3.91Å; F361-V410 HydrophobicContact CZ-CB 3.61Å; F361-V410 HydrophobicContact CZ-CG1 3.72Å; F361-V410 HydrophobicContact CZ-CG2 4.03Å; F361-V410 PolarHBondContact N-O 3.06Å; F361-V410 PolarHBondContact O-N 3.38Å; F361-A418 HydrophobicContact CD1-CB 4.26Å; F361-C421 HydrophobicContact CE1-CB 3.59Å; F361-C421 HydrophobicContact CE2-CB 4.5Å; F361-C421 HydrophobicContact CZ-CB 3.53Å; F361-V422 HydrophobicContact CB-CG2 3.6Å; F361-V422 HydrophobicContact CD1-CG2 3.82Å; F361-V422 HydrophobicContact CD2-CG2 4.01Å; F361-V422 HydrophobicContact CE1-CG2 4.49Å; F361-V422 HydrophobicContact CG-CG2 3.54Å; F361-L425 HydrophobicContact CE2-CD1 4.1Å; F361-L425 HydrophobicContact CZ-CD1 4.31Å; F361-A438 CarbonylContact C-O 3.47Å; F361-A438 VanDerWaalsContact CA-O 3.25Å; F361-A438 WeakPolarHBondContact CA-O 3.33Å; F361-A438 WeakPolarHBondContact CB-O 3.39Å
362M90.7Very high73.2Confident34 Ų3456 Ų5617%0.16733%0.33CS..EExtended strand (participates in β ladder)trans-111.4134.3173.7-179.2-173.475.100108.4N407 V408 Y409 A437 A438 V440M362-N407 HydrophobicContact CG-CB 4.29Å; M362-N407 HydrophobicContact SD-CB 4.15Å; M362-V408 CarbonylContact C-O 3.53Å; M362-V408 WeakPolarHBondContact CA-O 3.09Å; M362-Y409 HydrophobicContact CB-CD1 3.99Å; M362-Y409 HydrophobicContact CB-CE1 3.97Å; M362-Y409 HydrophobicContact CG-CD1 3.99Å; M362-Y409 HydrophobicContact CG-CE1 3.71Å; M362-Y409 HydrophobicContact SD-CD1 4.47Å; M362-Y409 HydrophobicContact SD-CE1 3.61Å; M362-A437 CarbonylContact O-C 3.41Å; M362-A437 WeakPolarHBondContact O-CA 3.42Å; M362-A438 PolarHBondContact N-O 3.48Å; M362-A438 PolarHBondContact O-N 3.46Å; M362-V440 HydrophobicContact CB-CG2 3.65Å
363L90.4Very high74.8Confident0 Ų053 Ų530%032%0.318CS..EExtended strand (participates in β ladder)trans-99.2129.8167.3-56.6170.4000107.7F361 M366 V384 N407 V408 L425 I435 T436 A437F361-L363 HydrophobicContact CD2-CD2 3.96Å; F361-L363 HydrophobicContact CD2-CG 4.1Å; F361-L363 HydrophobicContact CE2-CD1 4.19Å; F361-L363 HydrophobicContact CE2-CD2 3.86Å; F361-L363 HydrophobicContact CE2-CG 3.9Å; L363-M366 HydrophobicContact CB-CG 3.74Å; L363-M366 HydrophobicContact CB-SD 3.87Å; L363-M366 HydrophobicContact CD1-SD 3.78Å; L363-M366 HydrophobicContact CG-SD 4.41Å; L363-V384 HydrophobicContact CD1-CG1 4.07Å; L363-V384 HydrophobicContact CD1-CG2 4.13Å; L363-N407 CarbonylContact O-C 3.54Å; L363-N407 VanDerWaalsContact O-CA 3.24Å; L363-N407 WeakPolarHBondContact O-CA 3.41Å; L363-V408 HydrophobicContact CB-CB 4.3Å; L363-V408 PolarHBondContact N-O 2.8Å; L363-V408 PolarHBondContact O-N 3.03Å; L363-L425 HydrophobicContact CD1-CD1 3.9Å; L363-L425 HydrophobicContact CD2-CB 3.91Å; L363-L425 HydrophobicContact CD2-CD1 4.11Å; L363-I435 HydrophobicContact CB-CG2 4.04Å; L363-I435 HydrophobicContact CD2-CG2 4.07Å; L363-T436 CarbonylContact C-O 3.51Å; L363-T436 WeakPolarHBondContact CA-O 3.42Å; L363-A437 HydrophobicContact CD2-CB 3.64Å
364S88.4Confident76.1Confident15 Ų1555.1 Ų55.111%0.10531%0.314CS..EExtended strand (participates in β ladder)trans-113.7155.6174.633.70000110.2N407 T436S364-N407 WeakPolarHBondContact CA-OD1 3.29Å; S364-N407 VanDerWaalsContact CB-OD1 3.31Å; S364-N407 WeakPolarHBondContact CB-OD1 3.33Å; S364-T436 PolarHBondContact N-O 2.87Å; S364-T436 PolarHBondContact O-N 2.84Å; S364-T436 VanDerWaalsContact O-N 3.15Å; S364-T436 PolarHBondContact OG-O 2.82Å; S364-T436 PolarHBondContact OG-OG1 3.08Å
365N84.2Confident77.7Confident56 Ų5653 Ų5330%0.29930%0.302SS..SBendtrans67.832.7-178.4-157.630.1000114.2Q405 G406 L434N365-Q405 WeakPolarHBondContact CA-O 3.42Å; N365-Q405 PolarHBondContact N-O 3.44Å; N365-G406 PolarHBondContact N-O 3.17Å; N365-L434 PolarHBondContact ND2-O 2.94Å
366M80.2Confident79Confident3 Ų349.8 Ų49.82%0.01528%0.28CS..SBendtrans-79-32.4-177.9-68.9-91.338.900113.7L363 V384 G406 V408 F430 I435L363-M366 HydrophobicContact CB-CG 3.74Å; L363-M366 HydrophobicContact CB-SD 3.87Å; L363-M366 HydrophobicContact CD1-SD 3.78Å; L363-M366 HydrophobicContact CG-SD 4.41Å; M366-V384 HydrophobicContact SD-CG2 4.47Å; M366-G406 WeakPolarHBondContact CB-O 3.26Å; M366-G406 PolarHBondContact N-O 3.25Å; M366-V408 HydrophobicContact CB-CG2 3.98Å; M366-V408 HydrophobicContact CG-CB 4.46Å; M366-V408 HydrophobicContact CG-CG2 3.89Å; M366-F430 HydrophobicContact CE-CB 3.42Å; M366-F430 VanDerWaalsContact CE-CB 3.42Å; M366-F430 HydrophobicContact CE-CD1 3.51Å; M366-F430 HydrophobicContact CE-CD2 3.91Å; M366-F430 HydrophobicContact CE-CE1 4.24Å; M366-F430 HydrophobicContact CE-CG 3.32Å; M366-F430 VanDerWaalsContact O-CD1 3.31Å; M366-F430 WeakPolarHBondContact O-CD1 3.16Å; M366-I435 HydrophobicContact CE-CD1 3.29Å; M366-I435 HydrophobicContact CE-CG1 3.53Å; M366-I435 HydrophobicContact CE-CG2 4.26Å; M366-I435 HydrophobicContact CG-CG2 4.26Å; M366-I435 HydrophobicContact SD-CD1 3.86Å; M366-I435 HydrophobicContact SD-CG1 4.21Å; M366-I435 HydrophobicContact SD-CG2 3.81Å
367F79.1Confident79.8Confident9 Ų946.6 Ų46.64%0.03926%0.258CS..  trans-148.8162.1178.459.1-90.1000110.8P369 A372 F377 I380 V399 D400F367-P369 HydrophobicContact CE2-CB 4.23Å; F367-A372 HydrophobicContact CB-CB 4.27Å; F367-A372 HydrophobicContact CD2-CB 3.9Å; F367-A372 HydrophobicContact CG-CB 4.38Å; F367-F377 HydrophobicContact CD1-CD1 4.48Å; F367-F377 HydrophobicContact CD1-CE1 4.39Å; F367-F377 HydrophobicContact CD2-CD1 4.47Å; F367-F377 AromaticContact CD2-CE1 3.64Å; F367-F377 HydrophobicContact CD2-CE1 3.64Å; F367-F377 HydrophobicContact CE1-CD1 4.32Å; F367-F377 HydrophobicContact CE1-CE1 4.22Å; F367-F377 HydrophobicContact CE2-CD1 4.34Å; F367-F377 AromaticContact CE2-CE1 3.46Å; F367-F377 HydrophobicContact CE2-CE1 3.46Å; F367-F377 VanDerWaalsContact CE2-CE1 3.46Å; F367-F377 HydrophobicContact CE2-CZ 4.29Å; F367-F377 HydrophobicContact CG-CE1 4.11Å; F367-F377 HydrophobicContact CZ-CD1 4.22Å; F367-F377 AromaticContact CZ-CE1 3.74Å; F367-F377 HydrophobicContact CZ-CE1 3.74Å; F367-I380 HydrophobicContact CB-CD1 3.62Å; F367-I380 HydrophobicContact CD1-CD1 3.85Å; F367-I380 HydrophobicContact CG-CD1 4.06Å; F367-V399 HydrophobicContact CD1-CG1 4.47Å; F367-V399 HydrophobicContact CE1-CG1 3.71Å; F367-V399 HydrophobicContact CZ-CG1 4.28Å; F367-D400 WeakPolarHBondContact CZ-O 3.36Å
368D74.7Confident80.1Confident43 Ų4347.5 Ų47.523%0.2326%0.257CS..  trans-90118.1165.7-154.2-39.8000109.5H370 V371 A372 R433D368-H370 PolarHBondContact O-N 2.93Å; D368-H370 VanDerWaalsContact O-N 3.11Å; D368-H370 IonicContact OD1-CD2 3.11Å; D368-H370 PolarHBondContact OD1-CD2 3.46Å; D368-H370 IonicContact OD1-CG 2.84Å; D368-H370 PolarHBondContact OD1-N 3.01Å; D368-H370 VanDerWaalsContact OD1-N 3.09Å; D368-V371 HydrophobicContact CB-CB 4.13Å; D368-V371 HydrophobicContact CB-CG2 4.06Å; D368-V371 PolarHBondContact O-N 2.97Å; D368-V371 VanDerWaalsContact O-N 3.1Å; D368-A372 VanDerWaalsContact O-CB 3.23Å; D368-A372 WeakPolarHBondContact O-CB 3.23Å; D368-A372 PolarHBondContact O-N 3.44Å; D368-R433 VanDerWaalsContact CB-NH1 3.28Å; D368-R433 IonicContact OD2-CZ 2.65Å; D368-R433 IonicContact OD2-NH1 3.88Å; D368-R433 PolarHBondContact OD2-NH1 3.35Å; D368-R433 IonicContact OD2-NH2 3.88Å; D368-R433 PolarHBondContact OD2-NH2 3.16Å
369P70.1Confident80.1Confident37 Ų3752.3 Ų52.324%0.2428%0.278CS..THydrogen-bonded Turntrans-60.8-19.5176.324.8-34.3000112.9F367F367-P369 HydrophobicContact CE2-CB 4.23Å
370H67.4Low80Confident173 Ų17349.8 Ų49.880%0.80127%0.267SS*.THydrogen-bonded Turntrans-83.3-17.1178.1-62.3-65.5000114.2D368D368-H370 PolarHBondContact O-N 2.93Å; D368-H370 VanDerWaalsContact O-N 3.11Å; D368-H370 IonicContact OD1-CD2 3.11Å; D368-H370 PolarHBondContact OD1-CD2 3.46Å; D368-H370 IonicContact OD1-CG 2.84Å; D368-H370 PolarHBondContact OD1-N 3.01Å; D368-H370 VanDerWaalsContact OD1-N 3.09Å
371V73.5Confident79.9Confident114 Ų11454.1 Ų54.169%0.69128%0.283SS*.THydrogen-bonded Turntrans-114.8-25.1-176.8-1740000111.5D368 T373D368-V371 HydrophobicContact CB-CB 4.13Å; D368-V371 HydrophobicContact CB-CG2 4.06Å; D368-V371 PolarHBondContact O-N 2.97Å; D368-V371 VanDerWaalsContact O-N 3.1Å; V371-T373 PolarHBondContact O-N 3.26Å
372A68.6Low79.7Confident21 Ų2155.5 Ų55.517%0.17429%0.291CS..  trans-70.3118.5-17500000112.5F367 D368 V376 F377F367-A372 HydrophobicContact CB-CB 4.27Å; F367-A372 HydrophobicContact CD2-CB 3.9Å; F367-A372 HydrophobicContact CG-CB 4.38Å; D368-A372 VanDerWaalsContact O-CB 3.23Å; D368-A372 WeakPolarHBondContact O-CB 3.23Å; D368-A372 PolarHBondContact O-N 3.44Å; A372-V376 HydrophobicContact CB-CB 4.47Å; A372-V376 HydrophobicContact CB-CG1 4.34Å; A372-F377 HydrophobicContact CB-CD1 4.41Å; A372-F377 HydrophobicContact CB-CE1 3.54Å; A372-F377 HydrophobicContact CB-CE2 4.36Å; A372-F377 HydrophobicContact CB-CZ 3.5Å; A372-F377 VanDerWaalsContact CB-CZ 3.5Å
373T72.1Confident79.5Confident80 Ų8057.2 Ų57.249%0.49130%0.3SS..  trans-85.2165.916951.40000110.8V371 S375 V376 F377V371-T373 PolarHBondContact O-N 3.26Å; T373-S375 PolarHBondContact O-N 3.18Å; T373-S375 VanDerWaalsContact O-N 3.11Å; T373-S375 PolarHBondContact OG1-OG 3.24Å; T373-V376 WeakPolarHBondContact O-CB 3.38Å; T373-V376 PolarHBondContact O-N 2.63Å; T373-V376 WeakPolarHBondContact OG1-CG2 3.29Å; T373-F377 WeakPolarHBondContact O-CD2 3.27Å
374H69.4Low79.3Confident124 Ų12457.5 Ų57.557%0.57430%0.302SS*.Hα-helixtrans-54.8-33.7179.5-167.4-61.4000113.4V376 F377 E378H374-V376 VanDerWaalsContact C-N 3.34Å; H374-V376 PolarHBondContact O-N 3.28Å; H374-F377 PolarHBondContact O-N 2.98Å; H374-E378 IonicContact CE1-OE1 3.66Å
375S77.1Confident79.3Confident65 Ų6556.9 Ų56.946%0.45530%0.298SS..Hα-helixtrans-62.1-40.1176.954.60000112.7T373 F377 E378 E379T373-S375 PolarHBondContact O-N 3.18Å; T373-S375 VanDerWaalsContact O-N 3.11Å; T373-S375 PolarHBondContact OG1-OG 3.24Å; S375-F377 VanDerWaalsContact C-N 3.28Å; S375-F377 PolarHBondContact O-N 2.63Å; S375-E378 PolarHBondContact O-N 3.11Å; S375-E379 PolarHBondContact O-N 2.94Å
376V80.8Confident79.5Confident42 Ų4258.8 Ų58.826%0.25531%0.305SS..Hα-helixtrans-66.2-31.8-177.1176.50000111.2A372 T373 H374 I380A372-V376 HydrophobicContact CB-CB 4.47Å; A372-V376 HydrophobicContact CB-CG1 4.34Å; T373-V376 WeakPolarHBondContact O-CB 3.38Å; T373-V376 PolarHBondContact O-N 2.63Å; T373-V376 WeakPolarHBondContact OG1-CG2 3.29Å; H374-V376 VanDerWaalsContact C-N 3.34Å; H374-V376 PolarHBondContact O-N 3.28Å; V376-I380 HydrophobicContact CG1-CD1 3.65Å; V376-I380 HydrophobicContact CG1-CG1 4.26Å; V376-I380 WeakPolarHBondContact O-CB 3.38Å; V376-I380 WeakPolarHBondContact O-CD1 3.25Å; V376-I380 WeakPolarHBondContact O-CG1 3.29Å; V376-I380 PolarHBondContact O-N 3.02Å
377F81.7Confident79.8Confident36 Ų3660.1 Ų60.116%0.15831%0.311CS..Hα-helixtrans-69.6-35.6178.4-57.8-57.2000113.2F367 A372 T373 H374 S375 R381 V399 R401F367-F377 HydrophobicContact CD1-CD1 4.48Å; F367-F377 HydrophobicContact CD1-CE1 4.39Å; F367-F377 HydrophobicContact CD2-CD1 4.47Å; F367-F377 AromaticContact CD2-CE1 3.64Å; F367-F377 HydrophobicContact CD2-CE1 3.64Å; F367-F377 HydrophobicContact CE1-CD1 4.32Å; F367-F377 HydrophobicContact CE1-CE1 4.22Å; F367-F377 HydrophobicContact CE2-CD1 4.34Å; F367-F377 AromaticContact CE2-CE1 3.46Å; F367-F377 HydrophobicContact CE2-CE1 3.46Å; F367-F377 VanDerWaalsContact CE2-CE1 3.46Å; F367-F377 HydrophobicContact CE2-CZ 4.29Å; F367-F377 HydrophobicContact CG-CE1 4.11Å; F367-F377 HydrophobicContact CZ-CD1 4.22Å; F367-F377 AromaticContact CZ-CE1 3.74Å; F367-F377 HydrophobicContact CZ-CE1 3.74Å; A372-F377 HydrophobicContact CB-CD1 4.41Å; A372-F377 HydrophobicContact CB-CE1 3.54Å; A372-F377 HydrophobicContact CB-CE2 4.36Å; A372-F377 HydrophobicContact CB-CZ 3.5Å; A372-F377 VanDerWaalsContact CB-CZ 3.5Å; T373-F377 WeakPolarHBondContact O-CD2 3.27Å; H374-F377 PolarHBondContact O-N 2.98Å; S375-F377 VanDerWaalsContact C-N 3.28Å; S375-F377 PolarHBondContact O-N 2.63Å; F377-R381 WeakPolarHBondContact O-CB 3.42Å; F377-R381 PolarHBondContact O-N 2.92Å; F377-V399 HydrophobicContact CB-CG1 4.36Å; F377-V399 HydrophobicContact CD1-CG1 3.92Å; F377-R401 HydrophobicContact CE1-CB 4.48Å; F377-R401 HydrophobicContact CE2-CB 4.43Å; F377-R401 HydrophobicContact CZ-CB 4.26Å
378E82.2Confident80.1Confident75 Ų7559.7 Ų59.735%0.3531%0.309SS..Hα-helixtrans-70.8-43175.3-64.4-63.9158.400110.2H374 S375 I380 R381 D382H374-E378 IonicContact CE1-OE1 3.66Å; S375-E378 PolarHBondContact O-N 3.11Å; E378-I380 PolarHBondContact O-N 3.37Å; E378-R381 WeakPolarHBondContact O-CB 3.37Å; E378-R381 PolarHBondContact O-N 3.36Å; E378-R381 VanDerWaalsContact O-N 3.13Å; E378-R381 IonicContact OE2-NH1 3.59Å; E378-D382 PolarHBondContact O-N 2.8Å
379E84.5Confident80.7Confident116 Ų11660.9 Ų60.954%0.54232%0.318SS..Hα-helixtrans-58-47.3174.4-69.9172-166.800111.8S375 R381 D382 D383S375-E379 PolarHBondContact O-N 2.94Å; E379-R381 VanDerWaalsContact C-N 3.28Å; E379-R381 PolarHBondContact O-N 3.23Å; E379-D382 PolarHBondContact O-N 2.64Å; E379-D383 WeakPolarHBondContact O-CB 3.41Å; E379-D383 VanDerWaalsContact O-CG 3.24Å; E379-D383 PolarHBondContact O-N 2.55Å
380I84.9Confident81.4Confident3 Ų365 Ų652%0.01533%0.332CS..Hα-helixtrans-60.7-40.6176.5-70.9164.9000111.4F367 V376 E378 V384 V408 F430F367-I380 HydrophobicContact CB-CD1 3.62Å; F367-I380 HydrophobicContact CD1-CD1 3.85Å; F367-I380 HydrophobicContact CG-CD1 4.06Å; V376-I380 HydrophobicContact CG1-CD1 3.65Å; V376-I380 HydrophobicContact CG1-CG1 4.26Å; V376-I380 WeakPolarHBondContact O-CB 3.38Å; V376-I380 WeakPolarHBondContact O-CD1 3.25Å; V376-I380 WeakPolarHBondContact O-CG1 3.29Å; V376-I380 PolarHBondContact O-N 3.02Å; E378-I380 PolarHBondContact O-N 3.37Å; I380-V384 HydrophobicContact CG2-CG2 4.28Å; I380-V384 WeakPolarHBondContact O-CB 3.49Å; I380-V384 WeakPolarHBondContact O-CG2 3.39Å; I380-V384 PolarHBondContact O-N 3.05Å; I380-V408 HydrophobicContact CG2-CG2 4.14Å; I380-F430 HydrophobicContact CD1-CE1 4.21Å; I380-F430 HydrophobicContact CG1-CE1 3.58Å; I380-F430 HydrophobicContact CG1-CZ 3.75Å
381R86.8Confident82.1Confident90 Ų9057.4 Ų57.434%0.3430%0.299SS..Hα-helixtrans-62.9-47.5178.9-176.6-171.7-178.8-173.8-0.4110.1F377 E378 E379 V384 I385 I397 V399F377-R381 WeakPolarHBondContact O-CB 3.42Å; F377-R381 PolarHBondContact O-N 2.92Å; E378-R381 WeakPolarHBondContact O-CB 3.37Å; E378-R381 PolarHBondContact O-N 3.36Å; E378-R381 VanDerWaalsContact O-N 3.13Å; E378-R381 IonicContact OE2-NH1 3.59Å; E379-R381 VanDerWaalsContact C-N 3.28Å; E379-R381 PolarHBondContact O-N 3.23Å; R381-V384 PolarHBondContact O-N 3.22Å; R381-I385 HydrophobicContact CG-CD1 3.97Å; R381-I385 WeakPolarHBondContact O-CD1 3.36Å; R381-I385 WeakPolarHBondContact O-CG1 3.47Å; R381-I385 PolarHBondContact O-N 3.07Å; R381-I397 HydrophobicContact CG-CD1 4.07Å; R381-I397 HydrophobicContact CG-CG1 4.46Å; R381-I397 HydrophobicContact CG-CG2 3.84Å; R381-V399 HydrophobicContact CB-CG2 4.07Å
382D87Confident82.3Confident30 Ų3053.8 Ų53.816%0.1629%0.285CS..Hα-helixtrans-66.9-41.4-179.6-76-32.1000112.2E378 E379 V384 I385 E386 P461 S462E378-D382 PolarHBondContact O-N 2.8Å; E379-D382 PolarHBondContact O-N 2.64Å; D382-V384 PolarHBondContact O-N 3.11Å; D382-I385 PolarHBondContact O-N 3.04Å; D382-E386 PolarHBondContact O-N 2.88Å; D382-P461 HydrophobicContact CB-CB 4.39Å; D382-P461 WeakPolarHBondContact OD1-CA 3.5Å; D382-S462 PolarHBondContact OD1-N 2.92Å; D382-S462 PolarHBondContact OD1-OG 3.4Å; D382-S462 PolarHBondContact OD2-OG 2.7Å
383D86.4Confident83.1Confident70 Ų7053 Ų5337%0.37428%0.279SS..Hα-helixtrans-59.5-46.3174.9-74.8-16.8000111.7E379 I385 E386 E387 F430E379-D383 WeakPolarHBondContact O-CB 3.41Å; E379-D383 VanDerWaalsContact O-CG 3.24Å; E379-D383 PolarHBondContact O-N 2.55Å; D383-I385 VanDerWaalsContact C-N 3.31Å; D383-I385 PolarHBondContact O-N 3.34Å; D383-E386 PolarHBondContact O-N 2.78Å; D383-E387 WeakPolarHBondContact O-CG 3.31Å; D383-E387 PolarHBondContact O-N 3.25Å; D383-F430 HydrophobicContact CB-CE2 4.14Å; D383-F430 VanDerWaalsContact OD2-CE2 3.29Å; D383-F430 WeakPolarHBondContact OD2-CE2 3.41Å; D383-F430 WeakPolarHBondContact OD2-CZ 3.47Å
384V87.2Confident83.8Confident5 Ų549.2 Ų49.23%0.0326%0.255CS..Hα-helixtrans-66.4-36.6178.7175.10000110.6L363 M366 I380 R381 D382 C388 I397 V410L363-V384 HydrophobicContact CD1-CG1 4.07Å; L363-V384 HydrophobicContact CD1-CG2 4.13Å; M366-V384 HydrophobicContact SD-CG2 4.47Å; I380-V384 HydrophobicContact CG2-CG2 4.28Å; I380-V384 WeakPolarHBondContact O-CB 3.49Å; I380-V384 WeakPolarHBondContact O-CG2 3.39Å; I380-V384 PolarHBondContact O-N 3.05Å; R381-V384 PolarHBondContact O-N 3.22Å; D382-V384 PolarHBondContact O-N 3.11Å; V384-C388 VanDerWaalsContact O-CB 3.3Å; V384-C388 WeakPolarHBondContact O-CB 3.32Å; V384-C388 PolarHBondContact O-N 3.34Å; V384-C388 PolarHBondContact O-SG 3.23Å; V384-I397 HydrophobicContact CB-CD1 3.68Å; V384-I397 HydrophobicContact CG1-CD1 3.52Å; V384-V410 HydrophobicContact CG1-CG2 3.76Å
385I88.4Confident84.6Confident3 Ų344.2 Ų44.22%0.01523%0.233CC..Hα-helixtrans-65.4-44.4174.6-68.7164000110.6R381 D382 D383 E387 C388 T389 I397 P461R381-I385 HydrophobicContact CG-CD1 3.97Å; R381-I385 WeakPolarHBondContact O-CD1 3.36Å; R381-I385 WeakPolarHBondContact O-CG1 3.47Å; R381-I385 PolarHBondContact O-N 3.07Å; D382-I385 PolarHBondContact O-N 3.04Å; D383-I385 VanDerWaalsContact C-N 3.31Å; D383-I385 PolarHBondContact O-N 3.34Å; I385-E387 PolarHBondContact O-N 3.25Å; I385-C388 PolarHBondContact O-N 3.32Å; I385-T389 WeakPolarHBondContact O-CB 3.35Å; I385-T389 PolarHBondContact O-N 3.43Å; I385-T389 PolarHBondContact O-OG1 3.03Å; I385-I397 HydrophobicContact CD1-CG2 4.07Å; I385-I397 HydrophobicContact CG1-CD1 4.1Å; I385-I397 HydrophobicContact CG1-CG2 4.17Å; I385-P461 HydrophobicContact CG2-CB 4.31Å
386E87.5Confident85Confident96 Ų9642.6 Ų42.645%0.44922%0.218SC..Hα-helixtrans-61-45.9179.5-163.8-161.313200110.9D382 D383 T389 K390D382-E386 PolarHBondContact O-N 2.88Å; D383-E386 PolarHBondContact O-N 2.78Å; E386-T389 WeakPolarHBondContact O-CB 3.35Å; E386-T389 PolarHBondContact O-N 3.41Å; E386-K390 PolarHBondContact O-N 2.94Å; E386-K390 WeakPolarHBondContact OE1-CE 3.49Å; E386-K390 IonicContact OE1-NZ 2.67Å; E386-K390 PolarHBondContact OE1-NZ 3.49Å
387E86Confident85.4Confident31 Ų3141 Ų4115%0.14521%0.208CC..Hα-helixtrans-64.8-42.7176.3-69.5-59.7127.200111.7D383 I385 T389 K390 M424 L425 R428D383-E387 WeakPolarHBondContact O-CG 3.31Å; D383-E387 PolarHBondContact O-N 3.25Å; I385-E387 PolarHBondContact O-N 3.25Å; E387-T389 PolarHBondContact O-N 2.95Å; E387-K390 WeakPolarHBondContact O-CB 3.27Å; E387-K390 PolarHBondContact O-N 3.49Å; E387-K390 IonicContact OE1-NZ 2.73Å; E387-K390 PolarHBondContact OE1-NZ 2.93Å; E387-M424 HydrophobicContact CB-CE 3.97Å; E387-M424 WeakPolarHBondContact O-CE 3.42Å; E387-M424 WeakPolarHBondContact OE2-CE 3.42Å; E387-L425 HydrophobicContact CB-CD2 3.98Å; E387-L425 HydrophobicContact CG-CD2 4.2Å; E387-R428 VanDerWaalsContact CD-NH1 3.29Å; E387-R428 IonicContact OE1-NH1 3.02Å; E387-R428 IonicContact OE2-CZ 2.86Å; E387-R428 IonicContact OE2-NH1 2.77Å; E387-R428 PolarHBondContact OE2-NH1 3.1Å; E387-R428 IonicContact OE2-NH2 2.7Å
388C86.2Confident85.7Confident0 Ų043.2 Ų43.20%022%0.218CC..Hα-helixtrans-63.7-32.9175.1-70.10000112.1V384 I385 K390 A391 G392 G393 C394V384-C388 VanDerWaalsContact O-CB 3.3Å; V384-C388 WeakPolarHBondContact O-CB 3.32Å; V384-C388 PolarHBondContact O-N 3.34Å; V384-C388 PolarHBondContact O-SG 3.23Å; I385-C388 PolarHBondContact O-N 3.32Å; C388-K390 VanDerWaalsContact C-N 3.28Å; C388-K390 PolarHBondContact O-N 3.04Å; C388-A391 PolarHBondContact O-N 3.4Å; C388-G392 PolarHBondContact O-N 2.85Å; C388-G392 VanDerWaalsContact O-N 3.1Å; C388-G393 WeakPolarHBondContact O-CA 3.24Å; C388-G393 PolarHBondContact O-N 3.37Å; C388-C394 HydrophobicContact CB-CB 4.01Å
389T87.3Confident85.9Confident68 Ų6840.8 Ų40.842%0.41721%0.208SC..Hα-helixtrans-63.8-33.7178-58.10000111.6I385 E386 E387 A391 G392I385-T389 WeakPolarHBondContact O-CB 3.35Å; I385-T389 PolarHBondContact O-N 3.43Å; I385-T389 PolarHBondContact O-OG1 3.03Å; E386-T389 WeakPolarHBondContact O-CB 3.35Å; E386-T389 PolarHBondContact O-N 3.41Å; E387-T389 PolarHBondContact O-N 2.95Å; T389-A391 VanDerWaalsContact C-N 3.29Å; T389-A391 PolarHBondContact O-N 2.88Å; T389-G392 PolarHBondContact O-N 2.92Å
390K85.5Confident85.9Confident123 Ų12336.5 Ų36.554%0.53519%0.189SC..Hα-helixtrans-63.9-31.3176.2-66.5168.1-170.8163.40113E386 E387 C388 M424E386-K390 PolarHBondContact O-N 2.94Å; E386-K390 WeakPolarHBondContact OE1-CE 3.49Å; E386-K390 IonicContact OE1-NZ 2.67Å; E386-K390 PolarHBondContact OE1-NZ 3.49Å; E387-K390 WeakPolarHBondContact O-CB 3.27Å; E387-K390 PolarHBondContact O-N 3.49Å; E387-K390 IonicContact OE1-NZ 2.73Å; E387-K390 PolarHBondContact OE1-NZ 2.93Å; C388-K390 VanDerWaalsContact C-N 3.28Å; C388-K390 PolarHBondContact O-N 3.04Å; K390-M424 HydrophobicContact CB-CE 4.27Å
391A81.2Confident85.8Confident14 Ų1444.5 Ų44.512%0.11622%0.219CC..Hα-helixtrans-93.9-20.2-179.200000114.3C388 T389 V417 Q420 C421C388-A391 PolarHBondContact O-N 3.4Å; T389-A391 VanDerWaalsContact C-N 3.29Å; T389-A391 PolarHBondContact O-N 2.88Å; A391-V417 HydrophobicContact CB-CG1 4.41Å; A391-Q420 HydrophobicContact CB-CB 3.76Å; A391-Q420 PolarHBondContact O-OE1 2.94Å; A391-Q420 VanDerWaalsContact O-OE1 3.13Å; A391-C421 VanDerWaalsContact CB-SG 3.56Å
392G78.6Confident85.2Confident37 Ų3745.9 Ų45.938%0.38124%0.238SC..THydrogen-bonded Turntrans144.210.5179.900000116.4C388 T389C388-G392 PolarHBondContact O-N 2.85Å; C388-G392 VanDerWaalsContact O-N 3.1Å; T389-G392 PolarHBondContact O-N 2.92Å
393G84.5Confident84.5Confident5 Ų545.3 Ų45.35%0.05224%0.236CC..  trans87.7166.4174.100000114.6C388 P413C388-G393 WeakPolarHBondContact O-CA 3.24Å; C388-G393 PolarHBondContact O-N 3.37Å; G393-P413 VanDerWaalsContact O-CD 3.26Å; G393-P413 WeakPolarHBondContact O-CD 3.34Å
394C86.1Confident83.9Confident0 Ų046.2 Ų46.20%025%0.253CS..  trans-122.7144.9175.361.80000110.6C388 V410 L458 L459C388-C394 HydrophobicContact CB-CB 4.01Å; C394-V410 HydrophobicContact CB-CG1 3.81Å; C394-L458 WeakPolarHBondContact O-CA 3.38Å; C394-L459 PolarHBondContact O-N 2.72Å
395L86.3Confident83.2Confident20 Ų2052.1 Ų52.111%0.10528%0.28CS..SBendtrans-90.3-34176.8-70175000111.9K411 P413 A455 K456 L458L395-K411 HydrophobicContact CB-CG 4.39Å; L395-K411 PolarHBondContact N-O 3.09Å; L395-P413 HydrophobicContact CD1-CB 4.13Å; L395-P413 HydrophobicContact CG-CB 4.2Å; L395-A455 HydrophobicContact CB-CB 4.48Å; L395-K456 VanDerWaalsContact CD2-C 3.47Å; L395-L458 HydrophobicContact CD2-CD2 4.09Å
396H86.9Confident82.9Confident30 Ų3052 Ų5214%0.13928%0.28CS..EExtended strand (participates in β ladder)trans-149.7137.3-177.3-172.9-93.5000109.7V410 K411 Y445 F449H396-V410 WeakPolarHBondContact O-CA 3.42Å; H396-K411 HydrophobicContact CB-CB 3.95Å; H396-K411 PolarHBondContact N-O 3.3Å; H396-K411 PolarHBondContact O-N 3.45Å; H396-Y445 AromaticContact ND1-CE1 3.77Å; H396-Y445 AromaticContact ND1-CZ 3.79Å; H396-Y445 PolarHBondContact ND1-OH 2.86Å; H396-Y445 PolarHBondContact O-OH 3Å; H396-F449 AromaticContact CE1-CG 3.78Å
397I88.4Confident83Confident9 Ų948.1 Ų48.15%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-134.4135173.7-172.2166.9000108.9R381 V384 I385 V408 Y409 V410 L459R381-I397 HydrophobicContact CG-CD1 4.07Å; R381-I397 HydrophobicContact CG-CG1 4.46Å; R381-I397 HydrophobicContact CG-CG2 3.84Å; V384-I397 HydrophobicContact CB-CD1 3.68Å; V384-I397 HydrophobicContact CG1-CD1 3.52Å; I385-I397 HydrophobicContact CD1-CG2 4.07Å; I385-I397 HydrophobicContact CG1-CD1 4.1Å; I385-I397 HydrophobicContact CG1-CG2 4.17Å; I397-V408 HydrophobicContact CD1-CG1 4.18Å; I397-V408 HydrophobicContact CG1-CG1 4.03Å; I397-Y409 WeakPolarHBondContact CA-O 3.38Å; I397-V410 HydrophobicContact CD1-CG2 4.41Å; I397-V410 HydrophobicContact CG1-CG2 4.27Å; I397-L459 HydrophobicContact CG2-CD1 3.9Å
398F87.3Confident83.2Confident83 Ų8346.6 Ų46.636%0.36426%0.255SS..EExtended strand (participates in β ladder)trans-136.7122.8174.1-176.6-92.1000110D400 Y409 F449F398-D400 HydrophobicContact CD1-CB 4.3Å; F398-D400 HydrophobicContact CE1-CB 3.97Å; F398-Y409 HydrophobicContact CD1-CD2 4.42Å; F398-Y409 PolarHBondContact N-O 3.15Å; F398-Y409 PolarHBondContact O-N 2.86Å; F398-F449 HydrophobicContact CB-CD1 4.2Å; F398-F449 HydrophobicContact CB-CE1 3.7Å; F398-F449 HydrophobicContact CB-CE2 4.32Å; F398-F449 HydrophobicContact CB-CZ 3.77Å; F398-F449 HydrophobicContact CD1-CD1 4.41Å; F398-F449 AromaticContact CD1-CE1 3.24Å; F398-F449 HydrophobicContact CD1-CE1 3.24Å; F398-F449 HydrophobicContact CD1-CE2 4.41Å; F398-F449 AromaticContact CD1-CZ 3.24Å; F398-F449 HydrophobicContact CD1-CZ 3.24Å; F398-F449 HydrophobicContact CD2-CD1 4.19Å; F398-F449 AromaticContact CD2-CE1 3.65Å; F398-F449 HydrophobicContact CD2-CE1 3.65Å; F398-F449 HydrophobicContact CD2-CZ 4.42Å; F398-F449 AromaticContact CE1-CE1 3.64Å; F398-F449 HydrophobicContact CE1-CE1 3.64Å; F398-F449 AromaticContact CE1-CZ 3.86Å; F398-F449 HydrophobicContact CE1-CZ 3.86Å; F398-F449 HydrophobicContact CE2-CE1 4.03Å; F398-F449 HydrophobicContact CG-CD1 4.01Å; F398-F449 AromaticContact CG-CE1 3.23Å; F398-F449 HydrophobicContact CG-CE1 3.23Å; F398-F449 AromaticContact CG-CZ 3.56Å; F398-F449 HydrophobicContact CG-CZ 3.56Å; F398-F449 HydrophobicContact CZ-CE1 4.01Å
399V87.3Confident83.4Confident23 Ų2348.2 Ų48.214%0.13926%0.261CS..EExtended strand (participates in β ladder)trans-95.1113.2175.9-179.80000107.9F367 F377 R381 R401 V408F367-V399 HydrophobicContact CD1-CG1 4.47Å; F367-V399 HydrophobicContact CE1-CG1 3.71Å; F367-V399 HydrophobicContact CZ-CG1 4.28Å; F377-V399 HydrophobicContact CB-CG1 4.36Å; F377-V399 HydrophobicContact CD1-CG1 3.92Å; R381-V399 HydrophobicContact CB-CG2 4.07Å; V399-R401 PolarHBondContact O-N 3.12Å; V399-R401 VanDerWaalsContact O-N 3.12Å; V399-V408 HydrophobicContact CG1-CG2 4.24Å; V399-V408 HydrophobicContact CG2-CG1 4.11Å; V399-V408 HydrophobicContact CG2-CG2 4.22Å
400D84.7Confident83.5Confident26 Ų2645 Ų4514%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-83.790.1-178.3-178.67.1000111.4F367 F398 T402 S403 N407 Y409F367-D400 WeakPolarHBondContact CZ-O 3.36Å; F398-D400 HydrophobicContact CD1-CB 4.3Å; F398-D400 HydrophobicContact CE1-CB 3.97Å; D400-T402 PolarHBondContact O-N 3.35Å; D400-T402 PolarHBondContact OD1-N 2.8Å; D400-T402 PolarHBondContact OD1-OG1 3.13Å; D400-S403 PolarHBondContact O-N 2.84Å; D400-S403 VanDerWaalsContact O-N 3.13Å; D400-S403 PolarHBondContact OD1-N 2.86Å; D400-S403 WeakPolarHBondContact OD2-CB 3.17Å; D400-S403 PolarHBondContact OD2-OG 2.97Å; D400-N407 WeakPolarHBondContact CB-O 3.3Å; D400-N407 PolarHBondContact N-O 2.6Å; D400-Y409 HydrophobicContact CB-CE2 4.24Å
401R81.5Confident83.7Confident171 Ų17139.7 Ų39.765%0.64522%0.218SC*.THydrogen-bonded Turntrans-57.7-15.3175.260177.2142.7-158.5-8.6115.3F377 V399F377-R401 HydrophobicContact CE1-CB 4.48Å; F377-R401 HydrophobicContact CE2-CB 4.43Å; F377-R401 HydrophobicContact CZ-CB 4.26Å; V399-R401 PolarHBondContact O-N 3.12Å; V399-R401 VanDerWaalsContact O-N 3.12Å
402T75.9Confident84Confident120 Ų12039 Ų3974%0.73621%0.213SC*.THydrogen-bonded Turntrans-95.4-14.1-179.365.80000113.2D400 A404D400-T402 PolarHBondContact O-N 3.35Å; D400-T402 PolarHBondContact OD1-N 2.8Å; D400-T402 PolarHBondContact OD1-OG1 3.13Å; T402-A404 PolarHBondContact O-N 3.05Å
403S71.6Confident84.4Confident17 Ų1739.7 Ų39.712%0.11921%0.21CC..  trans-71.2119.9-178.6-92.20000111.7D400 Q405 G406 N407D400-S403 PolarHBondContact O-N 2.84Å; D400-S403 VanDerWaalsContact O-N 3.13Å; D400-S403 PolarHBondContact OD1-N 2.86Å; D400-S403 WeakPolarHBondContact OD2-CB 3.17Å; D400-S403 PolarHBondContact OD2-OG 2.97Å; S403-Q405 PolarHBondContact O-N 3.02Å; S403-G406 PolarHBondContact O-N 2.81Å; S403-N407 PolarHBondContact OG-ND2 2.81Å; S403-N407 VanDerWaalsContact OG-ND2 3.11Å
404A73Confident84.5Confident89 Ų8942 Ų4274%0.73623%0.225SC*.THydrogen-bonded Turntrans-55.7-25173.200000113.3T402T402-A404 PolarHBondContact O-N 3.05Å
405Q73.3Confident84.7Confident130 Ų13045.7 Ų45.761%0.60724%0.244SC*.THydrogen-bonded Turntrans-96.80.7-177.9-62.1-175-9.400113.6N365 S403N365-Q405 WeakPolarHBondContact CA-O 3.42Å; N365-Q405 PolarHBondContact N-O 3.44Å; S403-Q405 PolarHBondContact O-N 3.02Å
406G82.9Confident84.8Confident0 Ų047.5 Ų47.50%026%0.263CS..  trans63.361.9-178.400000112.7N365 M366 S403N365-G406 PolarHBondContact N-O 3.17Å; M366-G406 WeakPolarHBondContact CB-O 3.26Å; M366-G406 PolarHBondContact N-O 3.25Å; S403-G406 PolarHBondContact O-N 2.81Å
407N89Confident84.9Confident14 Ų1447 Ų478%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-91.3137.6-173.8-64.6-29000112.2M362 L363 S364 D400 S403 Y409M362-N407 HydrophobicContact CG-CB 4.29Å; M362-N407 HydrophobicContact SD-CB 4.15Å; L363-N407 CarbonylContact O-C 3.54Å; L363-N407 VanDerWaalsContact O-CA 3.24Å; L363-N407 WeakPolarHBondContact O-CA 3.41Å; S364-N407 WeakPolarHBondContact CA-OD1 3.29Å; S364-N407 VanDerWaalsContact CB-OD1 3.31Å; S364-N407 WeakPolarHBondContact CB-OD1 3.33Å; D400-N407 WeakPolarHBondContact CB-O 3.3Å; D400-N407 PolarHBondContact N-O 2.6Å; S403-N407 PolarHBondContact OG-ND2 2.81Å; S403-N407 VanDerWaalsContact OG-ND2 3.11Å; N407-Y409 HydrophobicContact CB-CE2 4.18Å
408V89.2Confident85Confident0 Ų046.6 Ų46.60%026%0.26CS..EExtended strand (participates in β ladder)trans-126.6128.6175.3-177.10000109.2M362 L363 M366 I380 I397 V399 V410M362-V408 CarbonylContact C-O 3.53Å; M362-V408 WeakPolarHBondContact CA-O 3.09Å; L363-V408 HydrophobicContact CB-CB 4.3Å; L363-V408 PolarHBondContact N-O 2.8Å; L363-V408 PolarHBondContact O-N 3.03Å; M366-V408 HydrophobicContact CB-CG2 3.98Å; M366-V408 HydrophobicContact CG-CB 4.46Å; M366-V408 HydrophobicContact CG-CG2 3.89Å; I380-V408 HydrophobicContact CG2-CG2 4.14Å; I397-V408 HydrophobicContact CD1-CG1 4.18Å; I397-V408 HydrophobicContact CG1-CG1 4.03Å; V399-V408 HydrophobicContact CG1-CG2 4.24Å; V399-V408 HydrophobicContact CG2-CG1 4.11Å; V399-V408 HydrophobicContact CG2-CG2 4.22Å; V408-V410 HydrophobicContact CG1-CG2 4.27Å
409Y90.4Very high85.1Confident33 Ų3344.6 Ų44.613%0.12925%0.254CS..EExtended strand (participates in β ladder)trans-107.7121.3-175.7-69.6-83.3000110.6M362 I397 F398 D400 N407 Y445 L448 F449M362-Y409 HydrophobicContact CB-CD1 3.99Å; M362-Y409 HydrophobicContact CB-CE1 3.97Å; M362-Y409 HydrophobicContact CG-CD1 3.99Å; M362-Y409 HydrophobicContact CG-CE1 3.71Å; M362-Y409 HydrophobicContact SD-CD1 4.47Å; M362-Y409 HydrophobicContact SD-CE1 3.61Å; I397-Y409 WeakPolarHBondContact CA-O 3.38Å; F398-Y409 HydrophobicContact CD1-CD2 4.42Å; F398-Y409 PolarHBondContact N-O 3.15Å; F398-Y409 PolarHBondContact O-N 2.86Å; D400-Y409 HydrophobicContact CB-CE2 4.24Å; N407-Y409 HydrophobicContact CB-CE2 4.18Å; Y409-Y445 HydrophobicContact CD1-CE2 4.43Å; Y409-Y445 PolarHBondContact O-OH 3.25Å; Y409-L448 HydrophobicContact CE1-CD1 4.08Å; Y409-F449 HydrophobicContact CD1-CE2 4.25Å; Y409-F449 AromaticContact CD2-CE2 3.95Å; Y409-F449 HydrophobicContact CD2-CE2 3.95Å; Y409-F449 AromaticContact CD2-CZ 3.9Å; Y409-F449 HydrophobicContact CD2-CZ 3.9Å; Y409-F449 AromaticContact CG-CE2 3.7Å; Y409-F449 HydrophobicContact CG-CE2 3.7Å; Y409-F449 HydrophobicContact CG-CZ 4.13Å
410V89.9Confident85.2Confident0 Ų048.6 Ų48.60%027%0.271CS..EExtended strand (participates in β ladder)trans-121.9136-177-172.70000110.9C360 F361 V384 C394 H396 I397 V408C360-V410 WeakPolarHBondContact CA-O 3.26Å; F361-V410 HydrophobicContact CD1-CB 4.47Å; F361-V410 HydrophobicContact CD2-CB 4.33Å; F361-V410 HydrophobicContact CE1-CB 3.98Å; F361-V410 HydrophobicContact CE1-CG1 3.97Å; F361-V410 HydrophobicContact CE2-CB 3.82Å; F361-V410 HydrophobicContact CE2-CG1 4.41Å; F361-V410 HydrophobicContact CE2-CG2 3.91Å; F361-V410 HydrophobicContact CZ-CB 3.61Å; F361-V410 HydrophobicContact CZ-CG1 3.72Å; F361-V410 HydrophobicContact CZ-CG2 4.03Å; F361-V410 PolarHBondContact N-O 3.06Å; F361-V410 PolarHBondContact O-N 3.38Å; V384-V410 HydrophobicContact CG1-CG2 3.76Å; C394-V410 HydrophobicContact CB-CG1 3.81Å; H396-V410 WeakPolarHBondContact O-CA 3.42Å; I397-V410 HydrophobicContact CD1-CG2 4.41Å; I397-V410 HydrophobicContact CG1-CG2 4.27Å; V408-V410 HydrophobicContact CG1-CG2 4.27Å
411K89.6Confident85.5Confident13 Ų1347.3 Ų47.36%0.05726%0.264CS..EExtended strand (participates in β ladder)trans-112.6123.6170.6-178.1175.5178.7-177.80110L395 H396 Y445 H446 S452L395-K411 HydrophobicContact CB-CG 4.39Å; L395-K411 PolarHBondContact N-O 3.09Å; H396-K411 HydrophobicContact CB-CB 3.95Å; H396-K411 PolarHBondContact N-O 3.3Å; H396-K411 PolarHBondContact O-N 3.45Å; K411-Y445 HydrophobicContact CB-CD1 4.49Å; K411-Y445 HydrophobicContact CB-CE1 3.84Å; K411-Y445 HydrophobicContact CD-CE1 4.38Å; K411-Y445 PolarHBondContact N-OH 2.9Å; K411-H446 PolarHBondContact NZ-NE2 3.06Å; K411-S452 PolarHBondContact NZ-O 3.34Å
412C88.5Confident85.9Confident0 Ų039.6 Ų39.60%024%0.236CC..  trans-98.6158.8174.8-73.50000111.9Q359 S414 V417 A418Q359-C412 PolarHBondContact O-N 2.9Å; C412-S414 VanDerWaalsContact C-N 3.34Å; C412-V417 HydrophobicContact CB-CB 4.24Å; C412-V417 HydrophobicContact CB-CG1 4.11Å; C412-A418 HydrophobicContact CB-CB 4.01Å
413P87.3Confident86.5Confident51 Ų5139.6 Ų39.633%0.33123%0.232SC..SBendtrans-70.8-27.8177.428.6-35.8000113.5G393 L395 V417 L458G393-P413 VanDerWaalsContact O-CD 3.26Å; G393-P413 WeakPolarHBondContact O-CD 3.34Å; L395-P413 HydrophobicContact CD1-CB 4.13Å; L395-P413 HydrophobicContact CG-CB 4.2Å; P413-V417 HydrophobicContact CG-CG2 4.4Å; P413-L458 HydrophobicContact CG-CD2 4.09Å
414S86.2Confident87.2Confident52 Ų5241.2 Ų41.236%0.36424%0.238SC..SBendtrans-138.7152.7-177.8177.20000110.9C412 A416 V417 A418C412-S414 VanDerWaalsContact C-N 3.34Å; S414-A416 PolarHBondContact O-N 3.13Å; S414-A416 PolarHBondContact OG-N 3.28Å; S414-V417 PolarHBondContact O-N 3.1Å; S414-A418 PolarHBondContact O-N 3.45Å
415I89.1Confident87.8Confident78 Ų7837.4 Ų37.440%0.421%0.205SC..Hα-helixtrans-61.6-37.4174.9-57.9172.8000109.5C357 Q359 V417 A418 T419C357-I415 HydrophobicContact CB-CG2 4.43Å; C357-I415 WeakPolarHBondContact SG-CG2 3.46Å; Q359-I415 HydrophobicContact CG-CB 4.49Å; Q359-I415 HydrophobicContact CG-CG1 3.5Å; I415-V417 VanDerWaalsContact C-N 3.33Å; I415-V417 PolarHBondContact O-N 3.1Å; I415-A418 WeakPolarHBondContact O-CB 3.32Å; I415-A418 PolarHBondContact O-N 2.96Å; I415-T419 PolarHBondContact O-N 2.9Å; I415-T419 PolarHBondContact O-OG1 2.97Å
416A88.3Confident88.6Confident59 Ų5936.1 Ų36.149%0.48820%0.199SC..Hα-helixtrans-61.9-41.1178.200000112.4S414 T419 Q420S414-A416 PolarHBondContact O-N 3.13Å; S414-A416 PolarHBondContact OG-N 3.28Å; A416-T419 PolarHBondContact O-N 3.39Å; A416-Q420 WeakPolarHBondContact O-CG 2.98Å; A416-Q420 PolarHBondContact O-N 3.17Å; A416-Q420 VanDerWaalsContact O-N 3.1Å
417V90Very high88.7Confident20 Ų2037.9 Ų37.912%0.12122%0.217CC..Hα-helixtrans-67.1-44.7176.21780000109.8A391 C412 P413 S414 I415 T419 Q420 C421A391-V417 HydrophobicContact CB-CG1 4.41Å; C412-V417 HydrophobicContact CB-CB 4.24Å; C412-V417 HydrophobicContact CB-CG1 4.11Å; P413-V417 HydrophobicContact CG-CG2 4.4Å; S414-V417 PolarHBondContact O-N 3.1Å; I415-V417 VanDerWaalsContact C-N 3.33Å; I415-V417 PolarHBondContact O-N 3.1Å; V417-T419 VanDerWaalsContact C-N 3.32Å; V417-T419 PolarHBondContact O-N 3.28Å; V417-Q420 PolarHBondContact O-N 3.43Å; V417-C421 PolarHBondContact O-N 3.47Å; V417-C421 PolarHBondContact O-SG 2.85Å
418A90.2Very high88.5Confident0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-57.5-44.117600000111.9T358 F361 C412 S414 I415 Q420 C421 V422T358-A418 VanDerWaalsContact O-CB 3.29Å; T358-A418 WeakPolarHBondContact O-CB 3.42Å; F361-A418 HydrophobicContact CD1-CB 4.26Å; C412-A418 HydrophobicContact CB-CB 4.01Å; S414-A418 PolarHBondContact O-N 3.45Å; I415-A418 WeakPolarHBondContact O-CB 3.32Å; I415-A418 PolarHBondContact O-N 2.96Å; A418-Q420 VanDerWaalsContact C-N 3.35Å; A418-Q420 PolarHBondContact O-N 3.32Å; A418-C421 PolarHBondContact O-N 3.38Å; A418-V422 WeakPolarHBondContact O-CB 3.45Å; A418-V422 VanDerWaalsContact O-CG2 3.27Å; A418-V422 WeakPolarHBondContact O-CG2 3.38Å; A418-V422 PolarHBondContact O-N 2.85Å
419T90Very high88.1Confident40 Ų4050.9 Ų50.925%0.24527%0.266CS..Hα-helixtrans-62.3-41.2177.3-54.20000112.4C357 I415 A416 V417 N423 Y439C357-T419 PolarHBondContact SG-OG1 3.31Å; I415-T419 PolarHBondContact O-N 2.9Å; I415-T419 PolarHBondContact O-OG1 2.97Å; A416-T419 PolarHBondContact O-N 3.39Å; V417-T419 VanDerWaalsContact C-N 3.32Å; V417-T419 PolarHBondContact O-N 3.28Å; T419-N423 WeakPolarHBondContact O-CB 3.23Å; T419-N423 PolarHBondContact O-N 3.21Å; T419-N423 PolarHBondContact O-ND2 2.8Å; T419-Y439 WeakPolarHBondContact CA-OH 3.42Å
420Q89.6Confident87.5Confident107 Ų10751.3 Ų51.350%0.527%0.269SS..Hα-helixtrans-65.4-45.2175.7-72.9-179.26.800111.7A391 A416 V417 A418 N423 M424A391-Q420 HydrophobicContact CB-CB 3.76Å; A391-Q420 PolarHBondContact O-OE1 2.94Å; A391-Q420 VanDerWaalsContact O-OE1 3.13Å; A416-Q420 WeakPolarHBondContact O-CG 2.98Å; A416-Q420 PolarHBondContact O-N 3.17Å; A416-Q420 VanDerWaalsContact O-N 3.1Å; V417-Q420 PolarHBondContact O-N 3.43Å; A418-Q420 VanDerWaalsContact C-N 3.35Å; A418-Q420 PolarHBondContact O-N 3.32Å; Q420-N423 PolarHBondContact O-N 3.24Å; Q420-M424 VanDerWaalsContact O-CB 3.29Å; Q420-M424 WeakPolarHBondContact O-CB 3.31Å; Q420-M424 PolarHBondContact O-N 3.33Å
421C89.4Confident86.7Confident0 Ų056.4 Ų56.40%031%0.305CS..Hα-helixtrans-60-47.3176-65.80000111.8F361 A391 V417 A418 M424 L425F361-C421 HydrophobicContact CE1-CB 3.59Å; F361-C421 HydrophobicContact CE2-CB 4.5Å; F361-C421 HydrophobicContact CZ-CB 3.53Å; A391-C421 VanDerWaalsContact CB-SG 3.56Å; V417-C421 PolarHBondContact O-N 3.47Å; V417-C421 PolarHBondContact O-SG 2.85Å; A418-C421 PolarHBondContact O-N 3.38Å; C421-M424 PolarHBondContact O-N 2.84Å; C421-L425 WeakPolarHBondContact O-CB 3.44Å; C421-L425 WeakPolarHBondContact O-CG 3.18Å; C421-L425 PolarHBondContact O-N 3.11Å
422V90.6Very high86.2Confident9 Ų959 Ų596%0.05534%0.336CS..Hα-helixtrans-61.7-47.2179.1169.50000110.2F361 A418 M424 L425 H426 A437 Y439F361-V422 HydrophobicContact CB-CG2 3.6Å; F361-V422 HydrophobicContact CD1-CG2 3.82Å; F361-V422 HydrophobicContact CD2-CG2 4.01Å; F361-V422 HydrophobicContact CE1-CG2 4.49Å; F361-V422 HydrophobicContact CG-CG2 3.54Å; A418-V422 WeakPolarHBondContact O-CB 3.45Å; A418-V422 VanDerWaalsContact O-CG2 3.27Å; A418-V422 WeakPolarHBondContact O-CG2 3.38Å; A418-V422 PolarHBondContact O-N 2.85Å; V422-M424 PolarHBondContact O-N 2.9Å; V422-L425 PolarHBondContact O-N 2.64Å; V422-H426 WeakPolarHBondContact O-CA 3.25Å; V422-H426 WeakPolarHBondContact O-CB 3.19Å; V422-H426 PolarHBondContact O-N 2.92Å; V422-A437 HydrophobicContact CG1-CB 4.01Å; V422-A437 HydrophobicContact CG2-CB 4.5Å; V422-Y439 HydrophobicContact CB-CE1 4.45Å; V422-Y439 HydrophobicContact CG1-CE2 4.08Å; V422-Y439 HydrophobicContact CG2-CD1 4.42Å; V422-Y439 HydrophobicContact CG2-CE1 3.89Å
423N88.4Confident85.7Confident119 Ų11963 Ų6364%0.63635%0.35SS*.Hα-helixtrans-63.5-30.5178.2-70.6-14.3000112.9T419 Q420T419-N423 WeakPolarHBondContact O-CB 3.23Å; T419-N423 PolarHBondContact O-N 3.21Å; T419-N423 PolarHBondContact O-ND2 2.8Å; Q420-N423 PolarHBondContact O-N 3.24Å
424M86.1Confident85.6Confident52 Ų5264.1 Ų64.126%0.25635%0.354SS..Hα-helixtrans-80.4-38179.5-173.9164.67100112.6E387 K390 Q420 C421 V422 R428E387-M424 HydrophobicContact CB-CE 3.97Å; E387-M424 WeakPolarHBondContact O-CE 3.42Å; E387-M424 WeakPolarHBondContact OE2-CE 3.42Å; K390-M424 HydrophobicContact CB-CE 4.27Å; Q420-M424 VanDerWaalsContact O-CB 3.29Å; Q420-M424 WeakPolarHBondContact O-CB 3.31Å; Q420-M424 PolarHBondContact O-N 3.33Å; C421-M424 PolarHBondContact O-N 2.84Å; V422-M424 PolarHBondContact O-N 2.9Å; M424-R428 WeakPolarHBondContact O-CD 3.4Å; M424-R428 WeakPolarHBondContact O-CG 3.39Å; M424-R428 PolarHBondContact O-NE 3.1Å; M424-R428 VanDerWaalsContact O-NE 3.13Å
425L86.6Confident85.7Confident8 Ų861.9 Ų61.94%0.04234%0.338CS..Hα-helixtrans-91.7-28.7-175.4-66.1169.8000112.9F361 L363 E387 C421 V422 G427 R428F361-L425 HydrophobicContact CE2-CD1 4.1Å; F361-L425 HydrophobicContact CZ-CD1 4.31Å; L363-L425 HydrophobicContact CD1-CD1 3.9Å; L363-L425 HydrophobicContact CD2-CB 3.91Å; L363-L425 HydrophobicContact CD2-CD1 4.11Å; E387-L425 HydrophobicContact CB-CD2 3.98Å; E387-L425 HydrophobicContact CG-CD2 4.2Å; C421-L425 WeakPolarHBondContact O-CB 3.44Å; C421-L425 WeakPolarHBondContact O-CG 3.18Å; C421-L425 PolarHBondContact O-N 3.11Å; V422-L425 PolarHBondContact O-N 2.64Å; L425-G427 PolarHBondContact O-N 3.33Å; L425-R428 PolarHBondContact O-N 2.78Å
426H88.6Confident85.6Confident104 Ų10461 Ų6148%0.48134%0.336SS..THydrogen-bonded Turntrans-65124.8178.8-171.854.1000111V422 R428 A437V422-H426 WeakPolarHBondContact O-CA 3.25Å; V422-H426 WeakPolarHBondContact O-CB 3.19Å; V422-H426 PolarHBondContact O-N 2.92Å; H426-R428 VanDerWaalsContact C-N 3.26Å; H426-R428 PolarHBondContact O-N 3.46Å; H426-A437 HydrophobicContact CB-CB 3.9Å; H426-A437 PolarHBondContact ND1-N 3.28Å; H426-A437 VanDerWaalsContact ND1-N 3.17Å
427G86Confident85.7Confident37 Ų3758.9 Ų58.938%0.38132%0.318SS..THydrogen-bonded Turntrans787179.400000114.3L425 L434 I435L425-G427 PolarHBondContact O-N 3.33Å; G427-L434 WeakPolarHBondContact O-CD1 3.4Å; G427-I435 PolarHBondContact N-O 2.7Å
428R84.3Confident85.7Confident109 Ų10960 Ų6041%0.41133%0.33SS..  trans-75.6155.6168.4-80.7-169.1158.6-177.6-2.9111.4E387 M424 L425 H426 I435E387-R428 VanDerWaalsContact CD-NH1 3.29Å; E387-R428 IonicContact OE1-NH1 3.02Å; E387-R428 IonicContact OE2-CZ 2.86Å; E387-R428 IonicContact OE2-NH1 2.77Å; E387-R428 PolarHBondContact OE2-NH1 3.1Å; E387-R428 IonicContact OE2-NH2 2.7Å; M424-R428 WeakPolarHBondContact O-CD 3.4Å; M424-R428 WeakPolarHBondContact O-CG 3.39Å; M424-R428 PolarHBondContact O-NE 3.1Å; M424-R428 VanDerWaalsContact O-NE 3.13Å; L425-R428 PolarHBondContact O-N 2.78Å; H426-R428 VanDerWaalsContact C-N 3.26Å; H426-R428 PolarHBondContact O-N 3.46Å; R428-I435 HydrophobicContact CB-CD1 4.16Å; R428-I435 WeakPolarHBondContact O-CG1 3.37Å; R428-I435 PolarHBondContact O-N 2.86Å
429Y80.9Confident85.6Confident178 Ų17862.3 Ų62.370%0.69834%0.339SS*.EExtended strand (participates in β ladder)trans-95.7129.1171.4-74.4-94.3000110.1R433 L434Y429-R433 CarbonylContact C-O 3.55Å; Y429-R433 VanDerWaalsContact CA-O 3.25Å; Y429-R433 WeakPolarHBondContact CA-O 2.96Å; Y429-L434 HydrophobicContact CD2-CD1 4.17Å; Y429-L434 HydrophobicContact CE1-CB 4.37Å; Y429-L434 HydrophobicContact CE1-CD1 4.34Å; Y429-L434 HydrophobicContact CE2-CD1 3.77Å
430F77.4Confident85.4Confident41 Ų4161.3 Ų61.318%0.1833%0.332CS..EExtended strand (participates in β ladder)trans-129.1123.7173.6-168.7-89.4000109M366 I380 D383 G432 R433 I435M366-F430 HydrophobicContact CE-CB 3.42Å; M366-F430 VanDerWaalsContact CE-CB 3.42Å; M366-F430 HydrophobicContact CE-CD1 3.51Å; M366-F430 HydrophobicContact CE-CD2 3.91Å; M366-F430 HydrophobicContact CE-CE1 4.24Å; M366-F430 HydrophobicContact CE-CG 3.32Å; M366-F430 VanDerWaalsContact O-CD1 3.31Å; M366-F430 WeakPolarHBondContact O-CD1 3.16Å; I380-F430 HydrophobicContact CD1-CE1 4.21Å; I380-F430 HydrophobicContact CG1-CE1 3.58Å; I380-F430 HydrophobicContact CG1-CZ 3.75Å; D383-F430 HydrophobicContact CB-CE2 4.14Å; D383-F430 VanDerWaalsContact OD2-CE2 3.29Å; D383-F430 WeakPolarHBondContact OD2-CE2 3.41Å; D383-F430 WeakPolarHBondContact OD2-CZ 3.47Å; F430-G432 PolarHBondContact O-N 3.37Å; F430-G432 VanDerWaalsContact O-N 3.07Å; F430-R433 PolarHBondContact N-O 3.21Å; F430-R433 PolarHBondContact O-N 3.39Å; F430-I435 HydrophobicContact CB-CD1 3.76Å; F430-I435 HydrophobicContact CB-CG1 3.86Å
431S73.6Confident85.2Confident107 Ų10758.6 Ų58.675%0.74832%0.324SS*.THydrogen-bonded Turntrans49.137.1-175.7-61.90000114
432G78.8Confident84.9Confident69 Ų6961.3 Ų61.371%0.71134%0.339SS*.THydrogen-bonded Turntrans81.95.3-179.300000115.7F430F430-G432 PolarHBondContact O-N 3.37Å; F430-G432 VanDerWaalsContact O-N 3.07Å
433R78.3Confident84.4Confident82 Ų8264 Ų6431%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-114.5141.1-179.3-65.5-177.8-178.3-157.4-7.2111.8D368 Y429 F430 I435D368-R433 VanDerWaalsContact CB-NH1 3.28Å; D368-R433 IonicContact OD2-CZ 2.65Å; D368-R433 IonicContact OD2-NH1 3.88Å; D368-R433 PolarHBondContact OD2-NH1 3.35Å; D368-R433 IonicContact OD2-NH2 3.88Å; D368-R433 PolarHBondContact OD2-NH2 3.16Å; Y429-R433 CarbonylContact C-O 3.55Å; Y429-R433 VanDerWaalsContact CA-O 3.25Å; Y429-R433 WeakPolarHBondContact CA-O 2.96Å; F430-R433 PolarHBondContact N-O 3.21Å; F430-R433 PolarHBondContact O-N 3.39Å; R433-I435 PolarHBondContact O-N 3.3Å
434L85.1Confident84.1Confident76 Ų7660.6 Ų60.640%0.39833%0.334SS..EExtended strand (participates in β ladder)trans-76.3121.1174.3-169.578000109.7N365 G427 Y429N365-L434 PolarHBondContact ND2-O 2.94Å; G427-L434 WeakPolarHBondContact O-CD1 3.4Å; Y429-L434 HydrophobicContact CD2-CD1 4.17Å; Y429-L434 HydrophobicContact CE1-CB 4.37Å; Y429-L434 HydrophobicContact CE1-CD1 4.34Å; Y429-L434 HydrophobicContact CE2-CD1 3.77Å
435I87.6Confident84Confident5 Ų558.1 Ų58.13%0.02632%0.322CS..  trans-79.6134.9176.2-44.6171.5000109.5L363 M366 G427 R428 F430 R433L363-I435 HydrophobicContact CB-CG2 4.04Å; L363-I435 HydrophobicContact CD2-CG2 4.07Å; M366-I435 HydrophobicContact CE-CD1 3.29Å; M366-I435 HydrophobicContact CE-CG1 3.53Å; M366-I435 HydrophobicContact CE-CG2 4.26Å; M366-I435 HydrophobicContact CG-CG2 4.26Å; M366-I435 HydrophobicContact SD-CD1 3.86Å; M366-I435 HydrophobicContact SD-CG1 4.21Å; M366-I435 HydrophobicContact SD-CG2 3.81Å; G427-I435 PolarHBondContact N-O 2.7Å; R428-I435 HydrophobicContact CB-CD1 4.16Å; R428-I435 WeakPolarHBondContact O-CG1 3.37Å; R428-I435 PolarHBondContact O-N 2.86Å; F430-I435 HydrophobicContact CB-CD1 3.76Å; F430-I435 HydrophobicContact CB-CG1 3.86Å; R433-I435 PolarHBondContact O-N 3.3Å
436T88.6Confident83.8Confident60 Ų6060.5 Ų60.537%0.36833%0.332SS..EExtended strand (participates in β ladder)trans-108.8136.7168.746.50000109.4L363 S364L363-T436 CarbonylContact C-O 3.51Å; L363-T436 WeakPolarHBondContact CA-O 3.42Å; S364-T436 PolarHBondContact N-O 2.87Å; S364-T436 PolarHBondContact O-N 2.84Å; S364-T436 VanDerWaalsContact O-N 3.15Å; S364-T436 PolarHBondContact OG-O 2.82Å; S364-T436 PolarHBondContact OG-OG1 3.08Å
437A90.1Very high83.4Confident14 Ų1461.1 Ų61.112%0.11634%0.335CS..EExtended strand (participates in β ladder)trans-120.6129-177.700000107.6M362 L363 V422 H426M362-A437 CarbonylContact O-C 3.41Å; M362-A437 WeakPolarHBondContact O-CA 3.42Å; L363-A437 HydrophobicContact CD2-CB 3.64Å; V422-A437 HydrophobicContact CG1-CB 4.01Å; V422-A437 HydrophobicContact CG2-CB 4.5Å; H426-A437 HydrophobicContact CB-CB 3.9Å; H426-A437 PolarHBondContact ND1-N 3.28Å; H426-A437 VanDerWaalsContact ND1-N 3.17Å
438A88.8Confident83.1Confident44 Ų4463.8 Ų63.836%0.36434%0.34SS..EExtended strand (participates in β ladder)trans-130.7136.6-177.800000110F361 M362F361-A438 CarbonylContact C-O 3.47Å; F361-A438 VanDerWaalsContact CA-O 3.25Å; F361-A438 WeakPolarHBondContact CA-O 3.33Å; F361-A438 WeakPolarHBondContact CB-O 3.39Å; M362-A438 PolarHBondContact N-O 3.48Å; M362-A438 PolarHBondContact O-N 3.46Å
439Y89.5Confident83Confident47 Ų4759.7 Ų59.718%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-69.7138.2174.6-69.1-78.9000110.7P355 V356 T419 V422P355-Y439 HydrophobicContact CB-CD2 4.25Å; V356-Y439 WeakPolarHBondContact O-CB 3.25Å; T419-Y439 WeakPolarHBondContact CA-OH 3.42Å; V422-Y439 HydrophobicContact CB-CE1 4.45Å; V422-Y439 HydrophobicContact CG1-CE2 4.08Å; V422-Y439 HydrophobicContact CG2-CD1 4.42Å; V422-Y439 HydrophobicContact CG2-CE1 3.89Å
440V86.1Confident82.8Confident19 Ų1955.2 Ų55.212%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-116.5124.7178.7-179.90000108.6T358 C360 M362 L442 N444T358-V440 PolarHBondContact OG1-O 3.46Å; C360-V440 HydrophobicContact CB-CB 4.42Å; C360-V440 WeakPolarHBondContact CB-O 3.5Å; C360-V440 PolarHBondContact O-N 3.36Å; M362-V440 HydrophobicContact CB-CG2 3.65Å; V440-L442 PolarHBondContact O-N 3.19Å; V440-N444 HydrophobicContact CG1-CB 4Å
441P85.2Confident82.6Confident50 Ų5058.8 Ų58.833%0.32534%0.339SS..  trans-49.6135173.2-27.235000111.9I443 N444 Y445P441-I443 HydrophobicContact CB-CG2 4.33Å; P441-I443 PolarHBondContact O-N 3.21Å; P441-I443 VanDerWaalsContact O-N 3.09Å; P441-N444 PolarHBondContact O-N 3.28Å; P441-Y445 PolarHBondContact O-N 3.33Å; P441-Y445 VanDerWaalsContact O-N 3.08Å
442L81.7Confident82.8Confident58 Ų5853.7 Ų53.730%0.30430%0.304SS..Hα-helixtrans-51.2-38.2179.9-86.9161.9000112.3Q359 V440 Y445 H446Q359-L442 HydrophobicContact CB-CD2 4.22Å; V440-L442 PolarHBondContact O-N 3.19Å; L442-Y445 PolarHBondContact O-N 2.99Å; L442-H446 WeakPolarHBondContact O-CB 3.35Å; L442-H446 PolarHBondContact O-CD2 3.35Å; L442-H446 VanDerWaalsContact O-CG 3.25Å; L442-H446 PolarHBondContact O-N 2.91Å
443I80.1Confident82.5Confident66 Ų6654 Ų5434%0.33829%0.292SS..Hα-helixtrans-65.6-41.4-179.3-156.1152.1000112.1P441 H446 Q447P441-I443 HydrophobicContact CB-CG2 4.33Å; P441-I443 PolarHBondContact O-N 3.21Å; P441-I443 VanDerWaalsContact O-N 3.09Å; I443-H446 PolarHBondContact O-N 3.44Å; I443-Q447 VanDerWaalsContact O-CG 3.25Å; I443-Q447 WeakPolarHBondContact O-CG 3.14Å; I443-Q447 PolarHBondContact O-N 3.02Å
444N82.4Confident82.2Confident47 Ų4755.4 Ų55.425%0.25131%0.309SS..Hα-helixtrans-67-40.5176.2-70.350000110.6F267 V440 P441 Q447 L448F267-N444 WeakPolarHBondContact CZ-OD1 3.21Å; V440-N444 HydrophobicContact CG1-CB 4Å; P441-N444 PolarHBondContact O-N 3.28Å; N444-Q447 PolarHBondContact O-N 3.43Å; N444-L448 WeakPolarHBondContact O-CG 2.98Å; N444-L448 PolarHBondContact O-N 2.65Å; N444-L448 VanDerWaalsContact O-N 3.1Å
445Y84.2Confident81.4Confident0 Ų053 Ų530%030%0.3CS..Hα-helixtrans-64.6-43.2178.1-163.2-78.4000111.8C360 H396 Y409 K411 P441 L442 Q447 L448 F449 S452C360-Y445 HydrophobicContact CB-CD2 3.62Å; C360-Y445 HydrophobicContact CB-CE2 4.29Å; C360-Y445 HydrophobicContact CB-CG 3.9Å; C360-Y445 VanDerWaalsContact SG-CG 3.56Å; H396-Y445 AromaticContact ND1-CE1 3.77Å; H396-Y445 AromaticContact ND1-CZ 3.79Å; H396-Y445 PolarHBondContact ND1-OH 2.86Å; H396-Y445 PolarHBondContact O-OH 3Å; Y409-Y445 HydrophobicContact CD1-CE2 4.43Å; Y409-Y445 PolarHBondContact O-OH 3.25Å; K411-Y445 HydrophobicContact CB-CD1 4.49Å; K411-Y445 HydrophobicContact CB-CE1 3.84Å; K411-Y445 HydrophobicContact CD-CE1 4.38Å; K411-Y445 PolarHBondContact N-OH 2.9Å; P441-Y445 PolarHBondContact O-N 3.33Å; P441-Y445 VanDerWaalsContact O-N 3.08Å; L442-Y445 PolarHBondContact O-N 2.99Å; Y445-Q447 VanDerWaalsContact C-N 3.3Å; Y445-Q447 PolarHBondContact O-N 3.45Å; Y445-L448 PolarHBondContact O-N 3.13Å; Y445-F449 HydrophobicContact CD1-CB 4.48Å; Y445-F449 HydrophobicContact CD1-CD2 4.07Å; Y445-F449 HydrophobicContact CD2-CD2 4.5Å; Y445-F449 HydrophobicContact CE1-CB 4.19Å; Y445-F449 AromaticContact CE1-CD2 3.77Å; Y445-F449 HydrophobicContact CE1-CD2 3.77Å; Y445-F449 HydrophobicContact CE1-CG 4.37Å; Y445-F449 HydrophobicContact CE2-CD2 4.28Å; Y445-F449 HydrophobicContact CG-CD2 4.42Å; Y445-F449 AromaticContact CZ-CD2 3.88Å; Y445-F449 PolarHBondContact O-N 3.2Å; Y445-S452 WeakPolarHBondContact CD1-OG 3.29Å
446H82.7Confident80.5Confident57 Ų5761.3 Ų61.326%0.26434%0.336SS..Hα-helixtrans-69.3-28.1178.7-66.5175.8000112.7K411 L442 I443 F449 P450 S452 V453K411-H446 PolarHBondContact NZ-NE2 3.06Å; L442-H446 WeakPolarHBondContact O-CB 3.35Å; L442-H446 PolarHBondContact O-CD2 3.35Å; L442-H446 VanDerWaalsContact O-CG 3.25Å; L442-H446 PolarHBondContact O-N 2.91Å; I443-H446 PolarHBondContact O-N 3.44Å; H446-F449 CarbonylContact O-C 3.46Å; H446-P450 WeakPolarHBondContact O-CA 3.43Å; H446-S452 PolarHBondContact CD2-OG 3.13Å; H446-V453 HydrophobicContact CB-CG2 3.69Å; H446-V453 VanDerWaalsContact CG-CG2 3.5Å
447Q80.4Confident79.9Confident117 Ų11763.9 Ų63.955%0.54735%0.352SS..Hα-helixtrans-69.6-40.4172.2-76.1173.70.100112.4I443 N444 Y445I443-Q447 VanDerWaalsContact O-CG 3.25Å; I443-Q447 WeakPolarHBondContact O-CG 3.14Å; I443-Q447 PolarHBondContact O-N 3.02Å; N444-Q447 PolarHBondContact O-N 3.43Å; Y445-Q447 VanDerWaalsContact C-N 3.3Å; Y445-Q447 PolarHBondContact O-N 3.45Å
448L79.6Confident79.2Confident94 Ų9467 Ų6749%0.49237%0.366SS..Hα-helixtrans-71.2-39.8176.1-69170.1000111.5Y409 N444 Y445Y409-L448 HydrophobicContact CE1-CD1 4.08Å; N444-L448 WeakPolarHBondContact O-CG 2.98Å; N444-L448 PolarHBondContact O-N 2.65Å; N444-L448 VanDerWaalsContact O-N 3.1Å; Y445-L448 PolarHBondContact O-N 3.13Å
449F81.7Confident78.6Confident23 Ų2367.5 Ų67.510%0.10136%0.363CS..  trans-132.285.5-174-50.9-67.4000110.4H396 F398 Y409 Y445 H446 D451 S452H396-F449 AromaticContact CE1-CG 3.78Å; F398-F449 HydrophobicContact CB-CD1 4.2Å; F398-F449 HydrophobicContact CB-CE1 3.7Å; F398-F449 HydrophobicContact CB-CE2 4.32Å; F398-F449 HydrophobicContact CB-CZ 3.77Å; F398-F449 HydrophobicContact CD1-CD1 4.41Å; F398-F449 AromaticContact CD1-CE1 3.24Å; F398-F449 HydrophobicContact CD1-CE1 3.24Å; F398-F449 HydrophobicContact CD1-CE2 4.41Å; F398-F449 AromaticContact CD1-CZ 3.24Å; F398-F449 HydrophobicContact CD1-CZ 3.24Å; F398-F449 HydrophobicContact CD2-CD1 4.19Å; F398-F449 AromaticContact CD2-CE1 3.65Å; F398-F449 HydrophobicContact CD2-CE1 3.65Å; F398-F449 HydrophobicContact CD2-CZ 4.42Å; F398-F449 AromaticContact CE1-CE1 3.64Å; F398-F449 HydrophobicContact CE1-CE1 3.64Å; F398-F449 AromaticContact CE1-CZ 3.86Å; F398-F449 HydrophobicContact CE1-CZ 3.86Å; F398-F449 HydrophobicContact CE2-CE1 4.03Å; F398-F449 HydrophobicContact CG-CD1 4.01Å; F398-F449 AromaticContact CG-CE1 3.23Å; F398-F449 HydrophobicContact CG-CE1 3.23Å; F398-F449 AromaticContact CG-CZ 3.56Å; F398-F449 HydrophobicContact CG-CZ 3.56Å; F398-F449 HydrophobicContact CZ-CE1 4.01Å; Y409-F449 HydrophobicContact CD1-CE2 4.25Å; Y409-F449 AromaticContact CD2-CE2 3.95Å; Y409-F449 HydrophobicContact CD2-CE2 3.95Å; Y409-F449 AromaticContact CD2-CZ 3.9Å; Y409-F449 HydrophobicContact CD2-CZ 3.9Å; Y409-F449 AromaticContact CG-CE2 3.7Å; Y409-F449 HydrophobicContact CG-CE2 3.7Å; Y409-F449 HydrophobicContact CG-CZ 4.13Å; Y445-F449 HydrophobicContact CD1-CB 4.48Å; Y445-F449 HydrophobicContact CD1-CD2 4.07Å; Y445-F449 HydrophobicContact CD2-CD2 4.5Å; Y445-F449 HydrophobicContact CE1-CB 4.19Å; Y445-F449 AromaticContact CE1-CD2 3.77Å; Y445-F449 HydrophobicContact CE1-CD2 3.77Å; Y445-F449 HydrophobicContact CE1-CG 4.37Å; Y445-F449 HydrophobicContact CE2-CD2 4.28Å; Y445-F449 HydrophobicContact CG-CD2 4.42Å; Y445-F449 AromaticContact CZ-CD2 3.88Å; Y445-F449 PolarHBondContact O-N 3.2Å; H446-F449 CarbonylContact O-C 3.46Å; F449-D451 PolarHBondContact O-N 3.49Å; F449-S452 VanDerWaalsContact O-CB 3.29Å; F449-S452 WeakPolarHBondContact O-CB 3.37Å; F449-S452 PolarHBondContact O-N 3.28Å; F449-S452 VanDerWaalsContact O-N 3.11Å; F449-S452 PolarHBondContact O-OG 3Å
450P76.2Confident77.7Confident83 Ų8372.4 Ų72.454%0.53939%0.387SS..THydrogen-bonded Turntrans-60.7-32.9177.523.5-33000111.9H446 S452 V453H446-P450 WeakPolarHBondContact O-CA 3.43Å; P450-S452 PolarHBondContact O-N 3.11Å; P450-V453 VanDerWaalsContact O-CB 3.23Å; P450-V453 WeakPolarHBondContact O-CB 3.49Å; P450-V453 VanDerWaalsContact O-CG2 3.26Å; P450-V453 WeakPolarHBondContact O-CG2 3.47Å; P450-V453 PolarHBondContact O-N 3.43Å
451D75Confident76.9Confident117 Ų11774 Ų7463%0.62640%0.397SS*.Hα-helixtrans-60-29.9178-62.1-15.8000112.6F449 V453 T454 A455F449-D451 PolarHBondContact O-N 3.49Å; D451-V453 PolarHBondContact O-N 3.18Å; D451-T454 PolarHBondContact O-N 2.95Å; D451-T454 PolarHBondContact O-OG1 3.32Å; D451-A455 PolarHBondContact O-N 3.07Å
452S77.7Confident75.8Confident0 Ų074.9 Ų74.90%041%0.405CS..Hα-helixtrans-64.2-25.6177.578.80000112.3K411 Y445 H446 F449 P450 T454 A455K411-S452 PolarHBondContact NZ-O 3.34Å; Y445-S452 WeakPolarHBondContact CD1-OG 3.29Å; H446-S452 PolarHBondContact CD2-OG 3.13Å; F449-S452 VanDerWaalsContact O-CB 3.29Å; F449-S452 WeakPolarHBondContact O-CB 3.37Å; F449-S452 PolarHBondContact O-N 3.28Å; F449-S452 VanDerWaalsContact O-N 3.11Å; F449-S452 PolarHBondContact O-OG 3Å; P450-S452 PolarHBondContact O-N 3.11Å; S452-T454 VanDerWaalsContact C-N 3.31Å; S452-T454 PolarHBondContact O-N 2.92Å; S452-A455 PolarHBondContact O-N 2.9Å
453V70.7Confident73.8Confident76 Ų7681.1 Ų81.146%0.46145%0.453SS..Hα-helixtrans-62.2-40.7178.7-178.40000110.7H446 P450 D451H446-V453 HydrophobicContact CB-CG2 3.69Å; H446-V453 VanDerWaalsContact CG-CG2 3.5Å; P450-V453 VanDerWaalsContact O-CB 3.23Å; P450-V453 WeakPolarHBondContact O-CB 3.49Å; P450-V453 VanDerWaalsContact O-CG2 3.26Å; P450-V453 WeakPolarHBondContact O-CG2 3.47Å; P450-V453 PolarHBondContact O-N 3.43Å; D451-V453 PolarHBondContact O-N 3.18Å
454T72.7Confident73.5Confident111 Ų11181.9 Ų81.968%0.68146%0.459SS*.Hα-helixtrans-86.5-16.1-179.545.80000113.9D451 S452 K456D451-T454 PolarHBondContact O-N 2.95Å; D451-T454 PolarHBondContact O-OG1 3.32Å; S452-T454 VanDerWaalsContact C-N 3.31Å; S452-T454 PolarHBondContact O-N 2.92Å; T454-K456 PolarHBondContact O-N 3.33Å
455A69.4Low73Confident24 Ų2483.7 Ų83.720%0.19847%0.47CS..  trans-66.5105.5179.800000111.2L395 D451 S452L395-A455 HydrophobicContact CB-CB 4.48Å; D451-A455 PolarHBondContact O-N 3.07Å; S452-A455 PolarHBondContact O-N 2.9Å
456K68Low72.4Confident181 Ų18188.4 Ų88.479%0.78750%0.496SS*.  trans-114.6-6.3174.7-67-179.6-179.1177.70113.1L395 T454L395-K456 VanDerWaalsContact CD2-C 3.47Å; T454-K456 PolarHBondContact O-N 3.33Å
457T75.6Confident71.8Confident114 Ų11490.2 Ų90.270%0.69951%0.51SS*.SBendtrans-96.6135.3-178.2-490000109.3
458L76.1Confident71.2Confident79 Ų7988.6 Ų88.641%0.41451%0.508SS..PPolyproline II helixtrans-70.5135.8174.3-63.2174.3000109.9C394 L395 P413C394-L458 WeakPolarHBondContact O-CA 3.38Å; L395-L458 HydrophobicContact CD2-CD2 4.09Å; P413-L458 HydrophobicContact CG-CD2 4.09Å
459L75.3Confident70.7Confident55 Ų5588.2 Ų88.229%0.28851%0.509SS..PPolyproline II helixtrans-82.9142.5175.3-63.5175.9000110.3C394 I397C394-L459 PolarHBondContact O-N 2.72Å; I397-L459 HydrophobicContact CG2-CD1 3.9Å
460H71.4Confident69.9Low150 Ų15092.9 Ų92.969%0.69454%0.538SS*.  trans-111.2151173.2-70.4-70.6000109.4
461P69Low69.4Low52 Ų5293.6 Ų93.634%0.33854%0.538SS..  trans-63.9145.417827.3-33.5000110.5D382 I385 S463D382-P461 HydrophobicContact CB-CB 4.39Å; D382-P461 WeakPolarHBondContact OD1-CA 3.5Å; I385-P461 HydrophobicContact CG2-CB 4.31Å; P461-S463 PolarHBondContact O-N 2.86Å
462S61Low68.9Low68 Ų6891.7 Ų91.748%0.47653%0.53SS..  trans-63.8123.2167.23.10000108.4D382D382-S462 PolarHBondContact OD1-N 2.92Å; D382-S462 PolarHBondContact OD1-OG 3.4Å; D382-S462 PolarHBondContact OD2-OG 2.7Å
463S40.4Very low68.1Low190 Ų190100 Ų100100%1.32958%0.579SS**  trans-760174.9-59.90000112.8P461P461-S463 PolarHBondContact O-N 2.86Å

Retrieved 463 of 463 residues in 480.2 ms (Link to these results)