A0A087WR62_MOUSE Loading...

Amyloid beta precursor protein binding family B member 1

AlphaFold DB , UniProt , Accession A0A087WR62, Species MOUSE (Mus musculus, Mouse), Gene Apbb1, Length 451 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low32.9Very low163 Ų163104.3 Ų104.380%0.80353%0.532SS*.  0-13.9067.1-69.8-162.900114.3S7 T9M1-S7 PolarHBondContact N-O 2.8Å; M1-S7 VanDerWaalsContact SD-O 3.35Å; M1-T9 HydrophobicContact CG-CG2 4.18Å; M1-T9 VanDerWaalsContact O-CB 3.31Å; M1-T9 WeakPolarHBondContact O-CB 3.34Å; M1-T9 PolarHBondContact O-OG1 2.83Å
2R31.4Very low33.1Very low71 Ų7199.5 Ų99.527%0.26850%0.502SS..  trans-57163.7159-152.2-169.4-79.2165.2-16.7110.2Q4 D5 S7 G8R2-Q4 HydrophobicContact CB-CG 4.02Å; R2-Q4 PolarHBondContact O-N 3.15Å; R2-D5 IonicContact CZ-OD2 3.83Å; R2-D5 PolarHBondContact NH1-O 3.43Å; R2-D5 IonicContact NH1-OD2 2.8Å; R2-D5 PolarHBondContact NH1-OD2 2.71Å; R2-S7 PolarHBondContact N-O 2.71Å; R2-G8 VanDerWaalsContact CB-O 3.23Å; R2-G8 WeakPolarHBondContact CB-O 2.93Å; R2-G8 WeakPolarHBondContact CG-O 3.31Å; R2-G8 PolarHBondContact NE-O 2.81Å
3V25Very low33.1Very low120 Ų120104.7 Ų104.773%0.72752%0.523SS*.SBendtrans-59.996.7136.5169.50000105.3
4Q27.1Very low33Very low116 Ų116102.1 Ų102.154%0.54251%0.511SS..SBendtrans-66.4143.2-169.3-78.3-170.5-12.500110.4R2 T6 S7R2-Q4 HydrophobicContact CB-CG 4.02Å; R2-Q4 PolarHBondContact O-N 3.15Å; Q4-T6 PolarHBondContact NE2-O 3.1Å; Q4-S7 PolarHBondContact NE2-O 2.78Å
5D38.6Very low33.2Very low103 Ų103102.1 Ų102.155%0.55152%0.521SS*.SBendcis-40.7121.846.8172.746.2000119.4R2 S7R2-D5 IonicContact CZ-OD2 3.83Å; R2-D5 PolarHBondContact NH1-O 3.43Å; R2-D5 IonicContact NH1-OD2 2.8Å; R2-D5 PolarHBondContact NH1-OD2 2.71Å; D5-S7 VanDerWaalsContact C-N 3.29Å; D5-S7 PolarHBondContact O-N 3.07Å
6T35.7Very low33.6Very low109 Ų109102.9 Ų102.967%0.66953%0.532SS*.SBendtrans18.8-17.2169.359.20000124.3Q4Q4-T6 PolarHBondContact NE2-O 3.1Å
7S35.1Very low34.1Very low60 Ų60101.8 Ų101.842%0.4255%0.552SS.*SBendtrans-142.3-110.3-170.661.20000117.1M1 R2 Q4 D5M1-S7 PolarHBondContact N-O 2.8Å; M1-S7 VanDerWaalsContact SD-O 3.35Å; R2-S7 PolarHBondContact N-O 2.71Å; Q4-S7 PolarHBondContact NE2-O 2.78Å; D5-S7 VanDerWaalsContact C-N 3.29Å; D5-S7 PolarHBondContact O-N 3.07Å
8G29.8Very low34.2Very low16 Ų16102.4 Ų102.417%0.16556%0.56CS.*  trans-111.3158.3-155.900000117.9R2R2-G8 VanDerWaalsContact CB-O 3.23Å; R2-G8 WeakPolarHBondContact CB-O 2.93Å; R2-G8 WeakPolarHBondContact CG-O 3.31Å; R2-G8 PolarHBondContact NE-O 2.81Å
9T31.5Very low34.5Very low81 Ų81101.2 Ų101.250%0.49756%0.556SS.*  trans-121.2168.9-155.1-1540000116M1M1-T9 HydrophobicContact CG-CG2 4.18Å; M1-T9 VanDerWaalsContact O-CB 3.31Å; M1-T9 WeakPolarHBondContact O-CB 3.34Å; M1-T9 PolarHBondContact O-OG1 2.83Å
10Y32.8Very low34.7Very low171 Ų171103.3 Ų103.367%0.67156%0.562SS**  trans-142.8135.3-168.9-50.8-61.5000115.2
11Y38.5Very low35Very low137 Ų137109.1 Ų109.154%0.53758%0.576SS.*  trans-149.7120.8155.4-74.7-39.6000111.2V355Y11-V355 HydrophobicContact CD1-CB 3.9Å; Y11-V355 HydrophobicContact CD1-CG2 4.22Å; Y11-V355 HydrophobicContact CE1-CB 3.42Å; Y11-V355 VanDerWaalsContact CE1-CB 3.42Å; Y11-V355 HydrophobicContact CE1-CG1 3.62Å; Y11-V355 HydrophobicContact CE1-CG2 3.82Å; Y11-V355 WeakPolarHBondContact OH-CG1 3.15Å
12W34.8Very low35.1Very low47 Ų47108.7 Ų108.718%0.17857%0.572CS.*  trans62.7129.7144.2-67.798.6000124.2L353 A354 F362 S388 Q392W12-L353 HydrophobicContact CD2-CD1 4.28Å; W12-L353 HydrophobicContact CD2-CG 4.29Å; W12-L353 HydrophobicContact CE3-CD1 4.11Å; W12-L353 HydrophobicContact CE3-CD2 4.32Å; W12-L353 HydrophobicContact CE3-CG 3.71Å; W12-L353 HydrophobicContact CH2-CD1 3.28Å; W12-L353 HydrophobicContact CH2-CD2 3.73Å; W12-L353 HydrophobicContact CH2-CG 3.54Å; W12-L353 HydrophobicContact CZ2-CD1 3.52Å; W12-L353 HydrophobicContact CZ2-CG 4.17Å; W12-L353 HydrophobicContact CZ3-CD1 3.63Å; W12-L353 HydrophobicContact CZ3-CD2 3.49Å; W12-L353 VanDerWaalsContact CZ3-CD2 3.49Å; W12-L353 HydrophobicContact CZ3-CG 3.29Å; W12-A354 HydrophobicContact CG-CB 4.44Å; W12-F362 HydrophobicContact CZ2-CE2 4.49Å; W12-S388 VanDerWaalsContact CH2-O 3.25Å; W12-S388 WeakPolarHBondContact CH2-O 3.36Å; W12-S388 WeakPolarHBondContact CZ2-O 3.44Å; W12-Q392 HydrophobicContact CH2-CB 3.5Å; W12-Q392 HydrophobicContact CH2-CG 3.77Å; W12-Q392 HydrophobicContact CZ2-CB 4.47Å; W12-Q392 HydrophobicContact CZ3-CB 3.92Å; W12-Q392 HydrophobicContact CZ3-CG 3.66Å
13H33Very low35.2Very low167 Ų167110.7 Ų110.777%0.77359%0.594SS**  trans-131120.9170.2-86-82.1000111.3
14I32.8Very low35.8Very low69 Ų69110.3 Ų110.335%0.35459%0.594SS.*  trans-144.1176.8155-6.8-163.3000110.6F352 L353I14-F352 HydrophobicContact CD1-CD2 4.36Å; I14-F352 HydrophobicContact CG1-CD2 3.97Å; I14-F352 HydrophobicContact CG1-CE2 4.28Å; I14-L353 HydrophobicContact CD1-CB 3.92Å; I14-L353 HydrophobicContact CD1-CD2 4.17Å; I14-L353 HydrophobicContact CD1-CG 4.16Å
15P36.1Very low36.3Very low101 Ų101108.2 Ų108.266%0.65660%0.604SS**SBend-119.9117.1-109.637.9-21.4000115.9
16T38.9Very low36.2Very low115 Ų115115.5 Ų115.571%0.70662%0.623SS**  trans-131.2-6.6167.455.20000114.8T18T16-T18 PolarHBondContact O-N 3.03Å; T16-T18 PolarHBondContact OG1-OG1 2.66Å
17G41.8Very low36.1Very low85 Ų85114.9 Ų114.988%0.87663%0.629SS**SBendtrans74.1-2.5-176.500000115
18T36.8Very low35.8Very low112 Ų112117.4 Ų117.469%0.68765%0.647SS**  trans-101.6108.5174.232.90000110.6T16 Q20T16-T18 PolarHBondContact O-N 3.03Å; T16-T18 PolarHBondContact OG1-OG1 2.66Å; T18-Q20 PolarHBondContact O-N 2.93Å
19T39.7Very low36.4Very low80 Ų80121.9 Ų121.949%0.49167%0.673SS.*  trans-82.7114.3173.3-44.20000110W21T19-W21 HydrophobicContact CG2-CD2 3.67Å; T19-W21 VanDerWaalsContact CG2-CE2 3.46Å; T19-W21 HydrophobicContact CG2-CE3 3.87Å; T19-W21 HydrophobicContact CG2-CG 4.38Å; T19-W21 HydrophobicContact CG2-CH2 3.76Å; T19-W21 HydrophobicContact CG2-CZ2 3.53Å; T19-W21 HydrophobicContact CG2-CZ3 3.91Å
20Q37.2Very low36.4Very low142 Ų142123.4 Ų123.466%0.66469%0.687SS**  trans-88.7115.1167.1-179.6173.2-15.300108.8T18 E22T18-Q20 PolarHBondContact O-N 2.93Å; Q20-E22 WeakPolarHBondContact CG-O 3.07Å; Q20-E22 PolarHBondContact NE2-O 2.88Å
21W42.8Very low36.4Very low226 Ų226124.2 Ų124.286%0.85670%0.697SS**  trans-90.8-9.3-175.3-57.3102.6000114.1T19T19-W21 HydrophobicContact CG2-CD2 3.67Å; T19-W21 VanDerWaalsContact CG2-CE2 3.46Å; T19-W21 HydrophobicContact CG2-CE3 3.87Å; T19-W21 HydrophobicContact CG2-CG 4.38Å; T19-W21 HydrophobicContact CG2-CH2 3.76Å; T19-W21 HydrophobicContact CG2-CZ2 3.53Å; T19-W21 HydrophobicContact CG2-CZ3 3.91Å
22E37.3Very low36Very low154 Ų154121 Ų12172%0.7271%0.706SS**SBendtrans-123.4142.9-173.7-63.4-175.216100111.5Q20Q20-E22 WeakPolarHBondContact CG-O 3.07Å; Q20-E22 PolarHBondContact NE2-O 2.88Å
23P33.4Very low35.7Very low114 Ų114124.9 Ų124.974%0.7474%0.74SS**PPolyproline II helixtrans-64.1147.3-179.528.1-35.3000111.5G25P23-G25 PolarHBondContact O-N 3.49Å; P23-G25 VanDerWaalsContact O-N 3.1Å
24P39.1Very low35.4Very low112 Ų112122.5 Ų122.573%0.72774%0.742SS**PPolyproline II helixtrans-53.1119.7170.7-25.634.8000110.8R26P24-R26 PolarHBondContact O-N 3.31Å
25G37.7Very low36Very low72 Ų72125.1 Ų125.174%0.74276%0.764SS**PPolyproline II helixtrans-58.1135.4-173.300000112.4P23 A27P23-G25 PolarHBondContact O-N 3.49Å; P23-G25 VanDerWaalsContact O-N 3.1Å; G25-A27 PolarHBondContact O-N 3.25Å
26R35.1Very low35.5Very low255 Ų255128.7 Ų128.796%0.96277%0.771SS**  trans-62.6100.9173.5-98.3-174.8167.8-173.9-3110P24 S28P24-R26 PolarHBondContact O-N 3.31Å; R26-S28 PolarHBondContact O-N 2.97Å
27A34.1Very low34.9Very low96 Ų96130.8 Ų130.879%0.79377%0.773SS**  trans-74.2105.4172.500000110.9G25G25-A27 PolarHBondContact O-N 3.25Å
28S29.6Very low34.2Very low113 Ų113134.4 Ų134.479%0.7977%0.767SS**  trans176.5144.6156.1-82.30000111.2R26R26-S28 PolarHBondContact O-N 2.97Å
29P40.7Very low33.6Very low111 Ų111134.8 Ų134.872%0.72177%0.774SS**  cis-134.1161-43.137.2-22.3000113
30S33.4Very low32.9Very low113 Ų113138.2 Ų138.279%0.7979%0.785SS**  trans68.9152.5174.185.90000115.9
31Q31.6Very low32.4Very low188 Ų188138.4 Ų138.488%0.87979%0.79SS**  cis-122.3-174.91.2-69.1-177.7-4.600111.5
32G29.3Very low31.4Very low69 Ų69134.7 Ų134.771%0.71179%0.792SS**  trans-67.6171.3-17300000115.9
33S28.8Very low30.9Very low129 Ų129138.6 Ų138.690%0.90280%0.8SS**  -152.2-172.657.2-60.40000115.1
34S28.2Very low30.6Very low116 Ų116139.7 Ų139.781%0.81181%0.805SS**  trans-80.7169.5-165.146.20000117
35P43.5Very low29.8Very low125 Ų125138 Ų13881%0.81281%0.808SS**  trans-112.6165.9-157.242.2-35.2000117.2
36Q25.6Very low29.1Very low175 Ų175145.1 Ų145.182%0.81882%0.819SS**  trans-166.1155.5160.1-104178.2-71.900107.4
37E27.3Very low28.6Very low160 Ų160137.8 Ų137.875%0.74881%0.813SS**  cis-153.5167.2-14-160.3168.1141.600108.7
38E26.9Very low28.1Very low160 Ų160141.6 Ų141.675%0.74881%0.814SS**  trans-88.7134.8174.6-179.2-170.6155.500111.3
39S24.3Very low27.9Very low120 Ų120143.5 Ų143.584%0.83981%0.811SS**  trans-168.3163.1148.122.60000114.4
40Q24.1Very low27.2Very low153 Ų153145.7 Ų145.772%0.71581%0.811SS**  trans-99.7159.8-162.5-57.4171.86.800113.5
41L27.7Very low26.8Very low146 Ų146143 Ų14376%0.76480%0.801SS**  trans40.1124140.2-62.4166.4000119.7
42T22.7Very low26.4Very low147 Ų147142.3 Ų142.390%0.90280%0.795SS**  -169.3174.7113.216.90000113.2
43W25.2Very low26.3Very low236 Ų236148.1 Ų148.189%0.89480%0.804SS**  trans-106177.6-172.9-114.468.7000112.6
44T26.8Very low26.1Very low137 Ų137150.2 Ų150.284%0.8480%0.8SS**  trans88.4144.816576.40000118.7
45G22.2Very low26Very low76 Ų76148.4 Ų148.478%0.78480%0.8SS**  trans147.1100.7175.100000113.1
46F23.3Very low25.2Very low222 Ų222151.6 Ų151.697%0.97480%0.804SS**  trans-102.3142172.6-80.1-99.7000110.9
47A24.6Very low25.3Very low102 Ų102152.1 Ų152.184%0.84380%0.804SS**  trans-161.7155.2153.800000113.2
48H24Very low25.4Very low175 Ų175154.4 Ų154.481%0.8181%0.806SS**  trans-71.6-178.4176.1-69.7-102.4000113.1
49Q25.3Very low25.2Very low154 Ų154154.3 Ų154.372%0.7280%0.803SS**  cis-158.1-172.518.4-140.9150-59.400108.5
50E26.2Very low25.3Very low157 Ų157153.9 Ų153.973%0.73479%0.791SS**  cis-161.6162.110.4-17855.4-72.500110.7
51G24.7Very low25.4Very low56 Ų56154.2 Ų154.258%0.57779%0.793SS**  trans92.1121.7165.200000115.2
52F23.7Very low25.8Very low173 Ų173152.6 Ų152.676%0.75979%0.791SS**  cis66128.747.2-120.9-106.6000112.3E54F52-E54 HydrophobicContact CD1-CG 4.44Å; F52-E54 HydrophobicContact CE1-CG 3.56Å; F52-E54 HydrophobicContact CZ-CG 3.71Å
53E26.9Very low26Very low192 Ų192151.3 Ų151.390%0.89779%0.788SS**  -127.7-170.352.2-60.7-179.711900117
54E25.2Very low26Very low172 Ų172148.9 Ų148.980%0.80479%0.786SS**  trans-95.5173.6-165.4-57.9171121.800115.5F52F52-E54 HydrophobicContact CD1-CG 4.44Å; F52-E54 HydrophobicContact CE1-CG 3.56Å; F52-E54 HydrophobicContact CZ-CG 3.71Å
55G26.2Very low26Very low79 Ų79151.7 Ų151.781%0.81479%0.79SS**  trans173.274.6171.600000115
56E27.2Very low26.3Very low192 Ų192152.2 Ų152.290%0.89779%0.787SS**  trans-80.7143.5-178.8-57.3-171.2126.300114.3
57F25.8Very low26.9Very low186 Ų186147.9 Ų147.982%0.81678%0.781SS**  trans-155.487.5158.2-150.6-107.9000113.6
58W29.9Very low26.8Very low208 Ų208152.1 Ų152.179%0.78879%0.786SS**  trans6296.9153.1-54.1114.5000121.7
59K23.6Very low26.9Very low157 Ų157151.8 Ų151.868%0.68378%0.784SS**  -7.1158.1105.8-79.5-174.6137.7-71.10116.7
60D25.3Very low27Very low111 Ų111152.2 Ų152.259%0.59479%0.791SS**  cis-166.6171.510.4-96.3-13.1000106
61E26.6Very low26.9Very low161 Ų161148.5 Ų148.575%0.75280%0.795SS**  cis-163.6171.8-12.8-99.1-81.574.600106.5
62P36.9Very low27.1Very low112 Ų112153.9 Ų153.973%0.72781%0.809SS**  trans-91.3176.9-169.237.5-39.5000115.7
63S25.4Very low27.2Very low119 Ų119155.2 Ų155.283%0.83282%0.815SS**  trans-140.9138.5164.262.20000112.2
64E27Very low27.2Very low185 Ų185153 Ų15386%0.86481%0.809SS**  trans-78164.5172.8-56.4179.1106.800111.8
65E26Very low27.8Very low196 Ų196150 Ų15092%0.91681%0.805SS**  -176.4166.7112.4-100.4-179-161.800112.3
66A28.5Very low27.9Very low88 Ų88155 Ų15573%0.72781%0.807SS**  trans-114.6165.8-173.600000111.4
67P35.1Very low27.9Very low130 Ų130155.6 Ų155.684%0.84481%0.81SS**  trans-81.6156.8-158.832.6-36.4000115.1
68M24Very low28Very low192 Ų192151.4 Ų151.495%0.94681%0.81SS**  trans-121.5159.7165.1-107.4-175.3-74.600111.3
69E26.5Very low27.9Very low167 Ų167147.4 Ų147.478%0.7881%0.808SS**  trans-129.3174.7-165.9-115.2-84.8-171.100111.2
70L25.5Very low28Very low163 Ų163148.4 Ų148.485%0.85382%0.82SS**  trans76.2125.1175-50.3177000118.3
71G24Very low28.1Very low80 Ų80148.1 Ų148.183%0.82583%0.827SS**  trans174.464.9172.600000115.6
72L28.7Very low28.1Very low168 Ų168150.1 Ų150.188%0.8883%0.833SS**  trans-76.6143.8-178.2-69.7167.4000114.4
73K26Very low27.8Very low202 Ų202150.9 Ų150.988%0.87884%0.838SS**  trans-175.8123137.7-109.6173.1-179.3-176.80114.9
74D27.3Very low27.8Very low145 Ų145149.9 Ų149.978%0.77584%0.837SS**  trans-81166.2156.3-47.9-84.2000110.5
75P39Very low27.7Very low109 Ų109150.6 Ų150.671%0.70884%0.841SS**  -138.5-179.679.3213.1000112.8
76E28.3Very low27.9Very low185 Ų185146.7 Ų146.786%0.86484%0.835SS**  cis-165.2138.9-11.1-111.7166.4142.600107.1
77E27.6Very low27.7Very low203 Ų203150.6 Ų150.695%0.94984%0.842SS**  trans-158.7159141.1-134-179.6170.100111.7
78A27.8Very low27.4Very low99 Ų99149.4 Ų149.482%0.81884%0.838SS**  trans-103.8147.5-150.300000116.6
79T27.1Very low28Very low123 Ų123145.7 Ų145.776%0.75583%0.828SS**  trans-78.4138.5172.5-50.70000112
80L26.5Very low28Very low179 Ų179146.5 Ų146.594%0.93783%0.832SS**  trans-137.5144.6153.2-78.2-178.3000111.2
81S25.5Very low28.5Very low104 Ų104143.8 Ų143.873%0.72782%0.824SS**  trans-102.6156.1-167.9-58.90000113.8
82F26.7Very low28.6Very low204 Ų204146.4 Ų146.490%0.89582%0.823SS**  trans-60.3156.5164.6-61.8-87.4000112.4
83P30.5Very low28.7Very low127 Ų127144.1 Ų144.183%0.82582%0.819SS**  -121.7144.6126.535.2-31000111.5
84A26Very low28.8Very low99 Ų99143.4 Ų143.482%0.81882%0.818SS**  trans-104.3143.7171.600000110.6
85Q25.5Very low29.1Very low200 Ų200145.1 Ų145.194%0.93582%0.822SS**  trans-131.6140.6157-71.8-166.7-7.300109.1
86S29Very low28.7Very low113 Ų113147.1 Ų147.179%0.7982%0.821SS**  trans-83.7152.9-173.253.50000112.7
87L25.6Very low29Very low170 Ų170147.2 Ų147.289%0.8982%0.822SS**  trans-159.7146.6135.9-105.6167000110.2
88S28.3Very low29.1Very low106 Ų106144.9 Ų144.974%0.74181%0.809SS**  trans-147.6148.6172.6-50.90000105.5
89P36.1Very low29.1Very low114 Ų114147.9 Ų147.974%0.7481%0.81SS**  -152.7143.372.239-18.5000118
90E27.3Very low29.4Very low184 Ų184145.6 Ų145.686%0.8680%0.799SS**  trans65.7173.2136.7-112.6179.3119.800120
91P35.1Very low29.8Very low106 Ų106146.2 Ų146.269%0.68880%0.797SS**  -125.5162.8-10442.2-28.1000115.8
92V26.7Very low30.3Very low135 Ų135150.8 Ų150.882%0.81880%0.799SS**  trans-132.1133.2163.9-176.20000106.9Q94V92-Q94 PolarHBondContact O-N 2.72Å; V92-Q94 VanDerWaalsContact O-N 3.15Å
93P29.8Very low30.6Very low120 Ų120147.5 Ų147.578%0.77979%0.79SS**  trans-69.3115.3-168.126.6-34.8000111.6E95P93-E95 PolarHBondContact O-N 2.8Å
94Q29.5Very low31Very low186 Ų186145.6 Ų145.687%0.86979%0.785SS**  trans-74.7117.5161.6-169.9168.28.100107.5V92 E96V92-Q94 PolarHBondContact O-N 2.72Å; V92-Q94 VanDerWaalsContact O-N 3.15Å; Q94-E96 PolarHBondContact O-N 2.82Å; Q94-E96 VanDerWaalsContact O-N 3.07Å
95E33.2Very low31.8Very low182 Ų182145.3 Ų145.385%0.8577%0.77SS**  trans-64.5110.5178-64.9-176.5128.300109.1P93 E97P93-E95 PolarHBondContact O-N 2.8Å; E95-E97 PolarHBondContact O-N 3.14Å; E95-E97 VanDerWaalsContact O-N 3.1Å
96E31.6Very low33.3Very low150 Ų150142.7 Ų142.770%0.70177%0.771SS**  trans-58.3114.1159.7-70.9-173.6127.400107.1Q94 K98Q94-E96 PolarHBondContact O-N 2.82Å; Q94-E96 VanDerWaalsContact O-N 3.07Å; E96-K98 HydrophobicContact CB-CG 4.16Å; E96-K98 PolarHBondContact O-N 3.16Å; E96-K98 WeakPolarHBondContact OE2-CE 3.33Å; E96-K98 IonicContact OE2-NZ 3.52Å
97E33.8Very low35.1Very low188 Ų188140.3 Ų140.388%0.87976%0.763SS**  trans-65.180160.4-80-160.810400108.5E95 L99E95-E97 PolarHBondContact O-N 3.14Å; E95-E97 VanDerWaalsContact O-N 3.1Å; E97-L99 PolarHBondContact O-N 2.89Å
98K28.9Very low38Very low154 Ų154134.8 Ų134.867%0.6773%0.734SS**  trans-63.887.8166.4-75.9-176.8-179.1172.20107.6E96 S100E96-K98 HydrophobicContact CB-CG 4.16Å; E96-K98 PolarHBondContact O-N 3.16Å; E96-K98 WeakPolarHBondContact OE2-CE 3.33Å; E96-K98 IonicContact OE2-NZ 3.52Å; K98-S100 PolarHBondContact O-N 3.1Å
99L29.3Very low41Very low162 Ų162132.6 Ų132.685%0.84871%0.712SS**  trans-6375.2159.3-88.5168.8000109.4E97E97-L99 PolarHBondContact O-N 2.89Å
100S32.3Very low43.8Very low75 Ų75130.3 Ų130.352%0.52470%0.698SS.*  trans49.677.8154-68.80000115.6K98 R102K98-S100 PolarHBondContact O-N 3.1Å; S100-R102 PolarHBondContact O-N 2.86Å
101Q34.7Very low47.1Very low192 Ų192122.9 Ų122.990%0.89766%0.662SS**  trans-66.157141-71.9-174.9-13.400109.7
102R36.5Very low50Low199 Ų199119.4 Ų119.475%0.75164%0.643SS**  trans-104.9113.8-173.1-168.9174.7-173.7173.91.5107.5S100S100-R102 PolarHBondContact O-N 2.86Å
103N33.6Very low53.3Low135 Ų135113.2 Ų113.272%0.72261%0.605SS**  trans63.855.4-176.3-49.7-12000113.4N105N103-N105 PolarHBondContact O-N 2.84Å
104A37.6Very low56.4Low87 Ų87113.2 Ų113.272%0.71959%0.589SS**  trans-68.173.116200000110.6P106A104-P106 VanDerWaalsContact O-CD 3.31Å; A104-P106 WeakPolarHBondContact O-CD 3.18Å
105N44.1Very low59.5Low94 Ų94104.4 Ų104.450%0.50355%0.548SS..  trans-54.7119.7164.9-82.7-12.3000107.8N103 G107 I108N103-N105 PolarHBondContact O-N 2.84Å; N105-G107 PolarHBondContact O-N 2.86Å; N105-I108 HydrophobicContact CB-CD1 3.7Å; N105-I108 HydrophobicContact CB-CG1 3.8Å; N105-I108 PolarHBondContact O-N 2.91Å
106P56.9Low62.3Low145 Ų14596.4 Ų96.494%0.94251%0.512SS*.THydrogen-bonded Turntrans-62.3-4.3-171.6-27.336.3000116.4A104A104-P106 VanDerWaalsContact O-CD 3.31Å; A104-P106 WeakPolarHBondContact O-CD 3.18Å
107G67.1Low65.2Low62 Ų6289.6 Ų89.664%0.63948%0.482SS*.THydrogen-bonded Turntrans-98.6-12.5175.400000115.9N105N105-G107 PolarHBondContact O-N 2.86Å
108I84.8Confident68Low55 Ų5584.1 Ų84.128%0.28245%0.453SS..  trans-83.7125.5-178.7-54.4175.9000109.7N105 E168N105-I108 HydrophobicContact CB-CD1 3.7Å; N105-I108 HydrophobicContact CB-CG1 3.8Å; N105-I108 PolarHBondContact O-N 2.91Å; I108-E168 HydrophobicContact CD1-CG 4.45Å; I108-E168 WeakPolarHBondContact CD1-OE1 3.4Å; I108-E168 HydrophobicContact CG1-CB 4.33Å; I108-E168 HydrophobicContact CG1-CG 3.9Å; I108-E168 WeakPolarHBondContact CG1-OE1 2.84Å; I108-E168 HydrophobicContact CG2-CB 4.49Å
109K92.3Very high71.1Confident60 Ų6078 Ų7826%0.26143%0.429SS..EExtended strand (participates in β ladder)trans-108.9115.3169.6-64.3-178.2174.3-177.10109.8F111 Q166 L167 S235 E238K109-F111 HydrophobicContact CB-CE2 3.86Å; K109-F111 HydrophobicContact CB-CZ 4.07Å; K109-Q166 CarbonylContact O-C 3.58Å; K109-Q166 WeakPolarHBondContact O-CA 3.1Å; K109-L167 HydrophobicContact CB-CB 4.37Å; K109-L167 PolarHBondContact N-O 3.43Å; K109-L167 VanDerWaalsContact N-O 3.14Å; K109-L167 PolarHBondContact O-N 2.86Å; K109-S235 VanDerWaalsContact CD-OG 3.3Å; K109-S235 WeakPolarHBondContact CD-OG 3.3Å; K109-S235 PolarHBondContact NZ-OG 2.94Å; K109-S235 VanDerWaalsContact NZ-OG 3.09Å; K109-E238 VanDerWaalsContact NZ-CD 3.27Å; K109-E238 IonicContact NZ-OE1 3.29Å; K109-E238 PolarHBondContact NZ-OE1 3.2Å; K109-E238 IonicContact NZ-OE2 3.04Å; K109-E238 PolarHBondContact NZ-OE2 3.24Å
110C94.5Very high74.2Confident66 Ų6675.5 Ų75.545%0.44641%0.413SS..EExtended strand (participates in β ladder)trans-111.3138.1-177.6-172.70000111.2Q166C110-Q166 HydrophobicContact CB-CG 4.07Å
111F96.3Very high77Confident28 Ų2872.4 Ų72.412%0.12339%0.39CS..EExtended strand (participates in β ladder)trans-134.6128.3-178.8-53.7-86.1000110.2K109 V113 L165 L167 N231 I232K109-F111 HydrophobicContact CB-CE2 3.86Å; K109-F111 HydrophobicContact CB-CZ 4.07Å; F111-V113 HydrophobicContact CB-CG1 4.28Å; F111-L165 HydrophobicContact CD2-CD2 4.08Å; F111-L165 PolarHBondContact N-O 3.06Å; F111-L165 PolarHBondContact O-N 3.3Å; F111-L167 HydrophobicContact CE2-CD1 3.97Å; F111-L167 HydrophobicContact CE2-CG 4.26Å; F111-N231 HydrophobicContact CE1-CB 4.01Å; F111-I232 HydrophobicContact CB-CD1 3.9Å; F111-I232 HydrophobicContact CB-CG1 4.18Å; F111-I232 HydrophobicContact CD1-CD1 4.41Å; F111-I232 HydrophobicContact CD1-CG1 3.77Å; F111-I232 HydrophobicContact CD2-CD1 4.29Å; F111-I232 HydrophobicContact CD2-CG1 3.89Å; F111-I232 HydrophobicContact CE1-CG1 4.07Å; F111-I232 HydrophobicContact CE2-CG1 4.18Å; F111-I232 HydrophobicContact CG-CD1 3.96Å; F111-I232 HydrophobicContact CG-CG1 3.67Å; F111-I232 HydrophobicContact CZ-CG1 4.26Å
112A96.1Very high79.8Confident33 Ų3366.4 Ų66.427%0.27337%0.366SS..EExtended strand (participates in β ladder)trans-75.3124170.600000110.2E226A112-E226 HydrophobicContact CB-CB 4.27Å; A112-E226 HydrophobicContact CB-CG 3.96Å; A112-E226 VanDerWaalsContact CB-OE2 3.24Å; A112-E226 WeakPolarHBondContact CB-OE2 3.43Å; A112-E226 PolarHBondContact O-N 2.85Å; A112-E226 VanDerWaalsContact O-N 3.12Å
113V96.2Very high82.3Confident5 Ų560.6 Ų60.63%0.0335%0.348CS..EExtended strand (participates in β ladder)trans-142.2149.9-176.7-53.60000111.9F111 L163 L165 F223 R224 C225 I232F111-V113 HydrophobicContact CB-CG1 4.28Å; V113-L163 HydrophobicContact CG2-CB 4.1Å; V113-L163 PolarHBondContact N-O 2.98Å; V113-L163 PolarHBondContact O-N 3.14Å; V113-L163 VanDerWaalsContact O-O 3.06Å; V113-L165 HydrophobicContact CG1-CB 4.15Å; V113-L165 HydrophobicContact CG2-CB 3.87Å; V113-F223 HydrophobicContact CB-CB 4.09Å; V113-F223 HydrophobicContact CG2-CB 4.2Å; V113-F223 HydrophobicContact CG2-CD1 3.88Å; V113-F223 HydrophobicContact CG2-CG 4.34Å; V113-R224 CarbonylContact C-O 3.57Å; V113-R224 VanDerWaalsContact CA-O 3.28Å; V113-R224 WeakPolarHBondContact CA-O 3.32Å; V113-C225 HydrophobicContact CG1-CB 4.21Å; V113-I232 HydrophobicContact CG1-CD1 3.98Å
114R94.4Very high84.9Confident119 Ų11959.8 Ų59.845%0.44934%0.34SS..EExtended strand (participates in β ladder)trans-105125.8169-176.1167.5-67.91660110L116 K161 D162 F223 R224R114-L116 PolarHBondContact O-N 3.23Å; R114-K161 CarbonylContact C-O 3.56Å; R114-K161 WeakPolarHBondContact CA-O 3.39Å; R114-D162 WeakPolarHBondContact CB-OD1 3.24Å; R114-D162 IonicContact CZ-OD1 3.51Å; R114-D162 VanDerWaalsContact CZ-OD1 3.24Å; R114-D162 IonicContact CZ-OD2 2.8Å; R114-D162 IonicContact NE-OD1 2.79Å; R114-D162 PolarHBondContact NE-OD1 3.42Å; R114-D162 IonicContact NE-OD2 3.52Å; R114-D162 VanDerWaalsContact NH2-CG 3.27Å; R114-D162 IonicContact NH2-OD1 3.35Å; R114-D162 PolarHBondContact NH2-OD1 2.84Å; R114-D162 IonicContact NH2-OD2 2.68Å; R114-D162 PolarHBondContact NH2-OD2 2.82Å; R114-F223 CarbonylContact O-C 3.58Å; R114-F223 VanDerWaalsContact O-CA 3.31Å; R114-F223 WeakPolarHBondContact O-CA 3.44Å; R114-R224 PolarHBondContact N-O 2.91Å; R114-R224 PolarHBondContact O-N 3.16Å
115S94.8Very high87.2Confident1 Ų159.2 Ų59.21%0.00732%0.322CS..EExtended strand (participates in β ladder)trans-63.3129.4173.3-1750000110.4G117 W157 G158 G160 K161S115-G117 PolarHBondContact OG-N 3.11Å; S115-W157 VanDerWaalsContact CB-O 3.31Å; S115-W157 WeakPolarHBondContact CB-O 2.94Å; S115-W157 PolarHBondContact OG-O 3.14Å; S115-G158 VanDerWaalsContact CB-O 3.25Å; S115-G158 WeakPolarHBondContact CB-O 3.22Å; S115-G158 PolarHBondContact OG-O 3.5Å; S115-G160 PolarHBondContact O-N 2.76Å; S115-K161 PolarHBondContact N-O 2.8Å
116L92.4Very high89.4Confident15 Ų1555.3 Ų55.38%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-102.113.2170.8-54.4-171.6000111.6R114 L142 V222 R224R114-L116 PolarHBondContact O-N 3.23Å; L116-L142 HydrophobicContact CB-CB 4.1Å; L116-V222 HydrophobicContact CB-CB 4.3Å; L116-V222 HydrophobicContact CB-CG1 4.28Å; L116-V222 HydrophobicContact CD1-CG1 3.99Å; L116-V222 HydrophobicContact CG-CG1 4.46Å; L116-V222 PolarHBondContact N-O 3.43Å; L116-R224 HydrophobicContact CD1-CB 4.23Å; L116-R224 HydrophobicContact CD2-CB 4.06Å; L116-R224 HydrophobicContact CG-CB 4.23Å
117G92.3Very high90.7Very high7 Ų749.9 Ų49.97%0.07227%0.268CS..EExtended strand (participates in β ladder)trans83.7-153-175.300000113.2S115 V222S115-G117 PolarHBondContact OG-N 3.11Å; G117-V222 PolarHBondContact O-N 2.85Å; G117-V222 VanDerWaalsContact O-N 3.16Å
118W93.5Very high91.5Very high72 Ų7253.1 Ų53.127%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-149.5157.7-173.961.9-86.2000113E120 D151 M217 K219 C220 H221W118-E120 HydrophobicContact CZ3-CB 4.31Å; W118-D151 PolarHBondContact NE1-OD2 2.97Å; W118-M217 HydrophobicContact CH2-CE 4.39Å; W118-M217 HydrophobicContact CZ3-CE 4.42Å; W118-K219 HydrophobicContact CD2-CD 4Å; W118-K219 HydrophobicContact CD2-CG 4.31Å; W118-K219 HydrophobicContact CE3-CB 4.16Å; W118-K219 HydrophobicContact CE3-CD 3.77Å; W118-K219 HydrophobicContact CE3-CG 3.65Å; W118-K219 HydrophobicContact CH2-CD 4.43Å; W118-K219 HydrophobicContact CZ3-CD 4.01Å; W118-K219 HydrophobicContact CZ3-CG 3.92Å; W118-C220 CarbonylContact C-O 3.49Å; W118-C220 WeakPolarHBondContact CA-O 3.28Å; W118-H221 WeakPolarHBondContact CB-ND1 3.41Å
119V93.4Very high91.4Very high27 Ų2753.9 Ų53.916%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-123.4141.6172.9-165.30000109M121 C138 L142 K219 C220V119-M121 HydrophobicContact CB-SD 4.43Å; V119-C138 HydrophobicContact CG2-CB 4.16Å; V119-L142 HydrophobicContact CG2-CD1 3.66Å; V119-L142 HydrophobicContact CG2-CD2 4.17Å; V119-L142 HydrophobicContact CG2-CG 3.79Å; V119-K219 WeakPolarHBondContact O-CA 3.25Å; V119-C220 PolarHBondContact N-O 3.22Å; V119-C220 PolarHBondContact O-N 2.8Å
120E94.1Very high91.2Very high109 Ų10958.6 Ų58.651%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-72140168.7179.6166.3-152.900110.6W118 M217 L218W118-E120 HydrophobicContact CZ3-CB 4.31Å; E120-M217 HydrophobicContact CB-CE 4.4Å; E120-M217 HydrophobicContact CG-CE 4.12Å; E120-M217 WeakPolarHBondContact OE1-CE 3.34Å; E120-M217 WeakPolarHBondContact OE2-CE 3.46Å; E120-L218 WeakPolarHBondContact CA-O 3.12Å
121M92.1Very high91Very high10 Ų1056.6 Ų56.65%0.04930%0.303CS..EExtended strand (participates in β ladder)trans-121.6150179.5-50.6-53.9-55.200110.8V119 E125 L126 A134 C138 V209 L218 C220V119-M121 HydrophobicContact CB-SD 4.43Å; M121-E125 WeakPolarHBondContact CA-OE2 3.31Å; M121-E125 HydrophobicContact CE-CB 4.26Å; M121-E125 WeakPolarHBondContact CE-OE2 3.37Å; M121-L126 HydrophobicContact CB-CD2 4.41Å; M121-A134 HydrophobicContact CE-CB 3.87Å; M121-C138 PolarHBondContact SD-SG 3.08Å; M121-V209 HydrophobicContact CG-CG1 4.14Å; M121-L218 HydrophobicContact CB-CB 4.04Å; M121-L218 PolarHBondContact N-O 2.97Å; M121-L218 WeakPolarHBondContact O-CB 3.19Å; M121-C220 HydrophobicContact CG-CB 3.66Å; M121-C220 HydrophobicContact SD-CB 3.54Å; M121-C220 VanDerWaalsContact SD-CB 3.54Å
122T92.4Very high90.7Very high65 Ų6557.9 Ų57.940%0.39932%0.315SS..  trans-92.6163167.394.40000111.9E124 E125 L126T122-E124 VanDerWaalsContact C-N 3.26Å; T122-E124 WeakPolarHBondContact CB-OE2 3.33Å; T122-E124 PolarHBondContact O-N 3.17Å; T122-E124 PolarHBondContact OG1-N 3.41Å; T122-E124 PolarHBondContact OG1-OE2 3.34Å; T122-E125 PolarHBondContact N-OE2 3.48Å; T122-E125 PolarHBondContact O-N 3.31Å; T122-E125 PolarHBondContact OG1-N 3.38Å; T122-L126 PolarHBondContact O-N 3.24Å
123E88.8Confident90.4Very high78 Ų7860.3 Ų60.336%0.36433%0.327SS..THydrogen-bonded Turntrans-68.1-29.8178.5-172.468.6-137.600111.2L126 A127 R192 R211 L218E123-L126 PolarHBondContact O-N 2.89Å; E123-A127 PolarHBondContact O-N 2.83Å; E123-R192 VanDerWaalsContact CD-NH1 3.29Å; E123-R192 IonicContact OE1-CZ 4Å; E123-R192 VanDerWaalsContact OE1-CZ 3.24Å; E123-R192 IonicContact OE1-NH1 3.62Å; E123-R192 PolarHBondContact OE1-NH1 2.85Å; E123-R192 IonicContact OE1-NH2 2.97Å; E123-R192 PolarHBondContact OE1-NH2 2.93Å; E123-R192 IonicContact OE2-CZ 3.16Å; E123-R192 IonicContact OE2-NH1 2.76Å; E123-R192 PolarHBondContact OE2-NH1 2.91Å; E123-R192 IonicContact OE2-NH2 2.69Å; E123-R211 IonicContact OE2-NH2 2.71Å; E123-L218 HydrophobicContact CB-CD1 4.35Å
124E88.2Confident90.3Very high118 Ų11860.6 Ų60.655%0.55133%0.329SS*.THydrogen-bonded Turntrans-71.5-26.4178.4-57.469.1-148.900113.2T122 A127 R130T122-E124 VanDerWaalsContact C-N 3.26Å; T122-E124 WeakPolarHBondContact CB-OE2 3.33Å; T122-E124 PolarHBondContact O-N 3.17Å; T122-E124 PolarHBondContact OG1-N 3.41Å; T122-E124 PolarHBondContact OG1-OE2 3.34Å; E124-A127 WeakPolarHBondContact O-CB 3.25Å; E124-R130 WeakPolarHBondContact O-CD 3.28Å
125E87.1Confident90.3Very high75 Ų7555.1 Ų55.135%0.3531%0.309SS..THydrogen-bonded Turntrans-76.8-32.7173.2-65.7-178.5116.500111.7M121 T122 A127 R130 S131 A134M121-E125 WeakPolarHBondContact CA-OE2 3.31Å; M121-E125 HydrophobicContact CE-CB 4.26Å; M121-E125 WeakPolarHBondContact CE-OE2 3.37Å; T122-E125 PolarHBondContact N-OE2 3.48Å; T122-E125 PolarHBondContact O-N 3.31Å; T122-E125 PolarHBondContact OG1-N 3.38Å; E125-A127 PolarHBondContact O-N 3.33Å; E125-R130 CarbonylContact O-C 3.54Å; E125-R130 WeakPolarHBondContact O-CB 3.48Å; E125-S131 VanDerWaalsContact O-CA 3.24Å; E125-S131 WeakPolarHBondContact O-CA 3.3Å; E125-S131 PolarHBondContact O-N 2.76Å; E125-S131 VanDerWaalsContact O-N 3.13Å; E125-A134 HydrophobicContact CB-CB 4.09Å
126L89.3Confident90.2Very high11 Ų1155.9 Ų55.96%0.05831%0.313CS..SBendtrans-79.80.6175.8-56.4-172.4000113.6M121 T122 E123 R192 V193 V209 L218M121-L126 HydrophobicContact CB-CD2 4.41Å; T122-L126 PolarHBondContact O-N 3.24Å; E123-L126 PolarHBondContact O-N 2.89Å; L126-R192 HydrophobicContact CD1-CB 4.19Å; L126-R192 HydrophobicContact CD1-CG 4.44Å; L126-V193 HydrophobicContact CD2-CG2 4.2Å; L126-V209 HydrophobicContact CD1-CG1 3.71Å; L126-V209 HydrophobicContact CD2-CB 4.37Å; L126-V209 HydrophobicContact CD2-CG1 4Å; L126-V209 HydrophobicContact CD2-CG2 4.11Å; L126-V209 HydrophobicContact CG-CG1 4.49Å; L126-L218 HydrophobicContact CD1-CB 4.42Å; L126-L218 HydrophobicContact CD1-CD1 3.76Å; L126-L218 HydrophobicContact CD1-CD2 3.92Å; L126-L218 HydrophobicContact CD1-CG 4.25Å
127A85.2Confident90.2Very high31 Ų3158.6 Ų58.626%0.25633%0.328SS..SBendtrans-58147.7176.300000112.3E123 E124 E125 G129 R130 S131E123-A127 PolarHBondContact O-N 2.83Å; E124-A127 WeakPolarHBondContact O-CB 3.25Å; E125-A127 PolarHBondContact O-N 3.33Å; A127-G129 PolarHBondContact O-N 3.15Å; A127-R130 PolarHBondContact O-N 2.78Å; A127-S131 PolarHBondContact O-N 3.09Å; A127-S131 VanDerWaalsContact O-N 3.1Å
128P83.3Confident90.2Very high131 Ų13158.5 Ų58.585%0.85133%0.326SS*.THydrogen-bonded Turntrans-52.4131.7175.8-27.335.7000112.3R130P128-R130 VanDerWaalsContact C-N 3.27Å; P128-R130 PolarHBondContact O-N 3.16Å
129G82.9Confident90.2Very high71 Ų7155 Ų5573%0.73231%0.313SS*.THydrogen-bonded Turntrans84.3-18.1-175.700000115.3A127A127-G129 PolarHBondContact O-N 3.15Å
130R87.1Confident90.1Very high158 Ų15858.3 Ų58.360%0.59632%0.322SS*.THydrogen-bonded Turntrans-99.5-37.7174.2-66.2-177.6175.5179.8-3113.1E124 E125 A127 P128 S132 V133 A134E124-R130 WeakPolarHBondContact O-CD 3.28Å; E125-R130 CarbonylContact O-C 3.54Å; E125-R130 WeakPolarHBondContact O-CB 3.48Å; A127-R130 PolarHBondContact O-N 2.78Å; P128-R130 VanDerWaalsContact C-N 3.27Å; P128-R130 PolarHBondContact O-N 3.16Å; R130-S132 VanDerWaalsContact C-N 3.27Å; R130-S132 PolarHBondContact O-N 2.96Å; R130-S132 VanDerWaalsContact O-N 3.1Å; R130-V133 WeakPolarHBondContact O-CB 3.44Å; R130-V133 PolarHBondContact O-N 3.47Å; R130-A134 PolarHBondContact O-N 2.99Å
131S90.8Very high89.9Confident24 Ų2458 Ų5817%0.16832%0.32CS..Hα-helixtrans-54-35.2-172.258.90000115.5E125 A127 V135E125-S131 VanDerWaalsContact O-CA 3.24Å; E125-S131 WeakPolarHBondContact O-CA 3.3Å; E125-S131 PolarHBondContact O-N 2.76Å; E125-S131 VanDerWaalsContact O-N 3.13Å; A127-S131 PolarHBondContact O-N 3.09Å; A127-S131 VanDerWaalsContact O-N 3.1Å; S131-V135 WeakPolarHBondContact O-CB 3.45Å; S131-V135 WeakPolarHBondContact O-CG2 3.44Å; S131-V135 PolarHBondContact O-N 2.78Å
132S89.9Confident89.7Confident56 Ų5658.1 Ų58.139%0.39232%0.322SS..Hα-helixtrans-72.5-27.617859.40000113.6R130 N136R130-S132 VanDerWaalsContact C-N 3.27Å; R130-S132 PolarHBondContact O-N 2.96Å; R130-S132 VanDerWaalsContact O-N 3.1Å; S132-N136 WeakPolarHBondContact O-CB 3.39Å; S132-N136 PolarHBondContact O-N 3.37Å
133V91.3Very high89.3Confident84 Ų8456 Ų5651%0.50931%0.31SS..Hα-helixtrans-77.4-46.7173-177.70000109.5R130 N136 N137R130-V133 WeakPolarHBondContact O-CB 3.44Å; R130-V133 PolarHBondContact O-N 3.47Å; V133-N136 PolarHBondContact O-N 3.27Å; V133-N137 WeakPolarHBondContact O-CB 3.46Å; V133-N137 VanDerWaalsContact O-CG 3.31Å; V133-N137 PolarHBondContact O-N 3.12Å
134A93.1Very high88.7Confident11 Ų1160.7 Ų60.79%0.09133%0.325CS..Hα-helixtrans-55.6-55.3176.900000111.9M121 E125 R130 N136 N137 C138M121-A134 HydrophobicContact CE-CB 3.87Å; E125-A134 HydrophobicContact CB-CB 4.09Å; R130-A134 PolarHBondContact O-N 2.99Å; A134-N136 VanDerWaalsContact C-N 3.34Å; A134-N136 PolarHBondContact O-N 2.62Å; A134-N137 WeakPolarHBondContact O-CA 3.35Å; A134-N137 WeakPolarHBondContact O-CB 3.5Å; A134-N137 PolarHBondContact O-N 2.81Å; A134-C138 PolarHBondContact O-N 3.29Å; A134-C138 PolarHBondContact O-SG 3.24Å
135V94.1Very high87.7Confident4 Ų460.4 Ų60.42%0.02432%0.323CS..Hα-helixtrans-60.3-40.3179.31720000112.3S131 N137 C138 I139 V193 A207 V209S131-V135 WeakPolarHBondContact O-CB 3.45Å; S131-V135 WeakPolarHBondContact O-CG2 3.44Å; S131-V135 PolarHBondContact O-N 2.78Å; V135-N137 VanDerWaalsContact C-N 3.32Å; V135-N137 PolarHBondContact O-N 3.4Å; V135-C138 PolarHBondContact O-N 3.41Å; V135-I139 HydrophobicContact CG1-CD1 4.37Å; V135-I139 WeakPolarHBondContact O-CG1 3.31Å; V135-I139 PolarHBondContact O-N 3.02Å; V135-I139 VanDerWaalsContact O-N 3.12Å; V135-V193 HydrophobicContact CG2-CB 4.42Å; V135-V193 HydrophobicContact CG2-CG1 3.94Å; V135-A207 HydrophobicContact CG1-CB 3.75Å; V135-V209 HydrophobicContact CG2-CG2 3.67Å
136N92.4Very high86.4Confident16 Ų1664.3 Ų64.39%0.08634%0.339CS..Hα-helixtrans-66.6-34.9176.3-167.965000111.4S132 V133 A134 I139 R140 R198S132-N136 WeakPolarHBondContact O-CB 3.39Å; S132-N136 PolarHBondContact O-N 3.37Å; V133-N136 PolarHBondContact O-N 3.27Å; A134-N136 VanDerWaalsContact C-N 3.34Å; A134-N136 PolarHBondContact O-N 2.62Å; N136-I139 WeakPolarHBondContact O-CB 3.17Å; N136-I139 PolarHBondContact O-N 3.49Å; N136-R140 VanDerWaalsContact ND2-CZ 3.3Å; N136-R140 PolarHBondContact ND2-NH2 2.83Å; N136-R140 VanDerWaalsContact O-CG 3.29Å; N136-R140 WeakPolarHBondContact O-CG 3.44Å; N136-R140 PolarHBondContact O-N 3.09Å; N136-R198 PolarHBondContact OD1-N 2.72Å
137N92.6Very high84.8Confident73 Ų7367.9 Ų67.939%0.3936%0.358SS..Hα-helixtrans-66.6-39.4174.4-73.5-12.1000112.7V133 A134 V135 I139 R140 Q141V133-N137 WeakPolarHBondContact O-CB 3.46Å; V133-N137 VanDerWaalsContact O-CG 3.31Å; V133-N137 PolarHBondContact O-N 3.12Å; A134-N137 WeakPolarHBondContact O-CA 3.35Å; A134-N137 WeakPolarHBondContact O-CB 3.5Å; A134-N137 PolarHBondContact O-N 2.81Å; V135-N137 VanDerWaalsContact C-N 3.32Å; V135-N137 PolarHBondContact O-N 3.4Å; N137-I139 VanDerWaalsContact C-N 3.28Å; N137-I139 PolarHBondContact O-N 3.31Å; N137-R140 WeakPolarHBondContact O-CB 3.27Å; N137-R140 PolarHBondContact O-N 3.47Å; N137-R140 VanDerWaalsContact O-N 3.08Å; N137-R140 PolarHBondContact OD1-NH1 3.14Å; N137-Q141 WeakPolarHBondContact O-CB 3.09Å; N137-Q141 PolarHBondContact O-N 2.83Å
138C93.2Very high83.1Confident4 Ų473.1 Ų73.13%0.02738%0.382CS..Hα-helixtrans-58.4-42.7170.9-51.20000111.3V119 M121 A134 V135 R140 Q141 L142 C220 V222V119-C138 HydrophobicContact CG2-CB 4.16Å; M121-C138 PolarHBondContact SD-SG 3.08Å; A134-C138 PolarHBondContact O-N 3.29Å; A134-C138 PolarHBondContact O-SG 3.24Å; V135-C138 PolarHBondContact O-N 3.41Å; C138-R140 VanDerWaalsContact C-N 3.34Å; C138-R140 PolarHBondContact O-N 2.68Å; C138-Q141 PolarHBondContact O-N 3.32Å; C138-L142 PolarHBondContact O-N 3.08Å; C138-C220 HydrophobicContact CB-CB 4.23Å; C138-C220 VanDerWaalsContact CB-SG 3.53Å; C138-C220 VanDerWaalsContact SG-SG 3.62Å; C138-V222 HydrophobicContact CB-CG2 4.28Å
139I92.6Very high81.5Confident0 Ų074.1 Ų74.10%038%0.38CS..Hα-helixtrans-61.2-41.1174.1-67.3169.8000110.8V135 N136 N137 S143 D205 A207 V222V135-I139 HydrophobicContact CG1-CD1 4.37Å; V135-I139 WeakPolarHBondContact O-CG1 3.31Å; V135-I139 PolarHBondContact O-N 3.02Å; V135-I139 VanDerWaalsContact O-N 3.12Å; N136-I139 WeakPolarHBondContact O-CB 3.17Å; N136-I139 PolarHBondContact O-N 3.49Å; N137-I139 VanDerWaalsContact C-N 3.28Å; N137-I139 PolarHBondContact O-N 3.31Å; I139-S143 WeakPolarHBondContact O-CB 3.35Å; I139-S143 PolarHBondContact O-N 2.81Å; I139-S143 PolarHBondContact O-OG 2.86Å; I139-D205 HydrophobicContact CG2-CB 3.6Å; I139-A207 HydrophobicContact CD1-CB 3.81Å; I139-A207 HydrophobicContact CG1-CB 3.8Å; I139-V222 HydrophobicContact CG1-CG1 4Å; I139-V222 HydrophobicContact CG1-CG2 4.32Å
140R90.9Very high80.1Confident96 Ų9679 Ų7936%0.36238%0.383SS..Hα-helixtrans-60.4-50.5174.1-57.6-160.3168.4120.2-7.6111.4N136 N137 C138 S143 Y144 D199N136-R140 VanDerWaalsContact ND2-CZ 3.3Å; N136-R140 PolarHBondContact ND2-NH2 2.83Å; N136-R140 VanDerWaalsContact O-CG 3.29Å; N136-R140 WeakPolarHBondContact O-CG 3.44Å; N136-R140 PolarHBondContact O-N 3.09Å; N137-R140 WeakPolarHBondContact O-CB 3.27Å; N137-R140 PolarHBondContact O-N 3.47Å; N137-R140 VanDerWaalsContact O-N 3.08Å; N137-R140 PolarHBondContact OD1-NH1 3.14Å; C138-R140 VanDerWaalsContact C-N 3.34Å; C138-R140 PolarHBondContact O-N 2.68Å; R140-S143 PolarHBondContact O-N 3.12Å; R140-Y144 VanDerWaalsContact O-CD2 3.26Å; R140-Y144 WeakPolarHBondContact O-CD2 3.32Å; R140-Y144 PolarHBondContact O-N 3.33Å; R140-D199 IonicContact CZ-OD1 3.97Å; R140-D199 IonicContact CZ-OD2 3.75Å; R140-D199 IonicContact NE-OD1 2.8Å; R140-D199 IonicContact NE-OD2 3.86Å; R140-D199 PolarHBondContact NE-OD2 2.88Å; R140-D199 IonicContact NH2-OD1 3.73Å; R140-D199 PolarHBondContact NH2-OD1 3.38Å; R140-D199 IonicContact NH2-OD2 3.24Å; R140-D199 PolarHBondContact NH2-OD2 2.96Å
141Q90.6Very high78.8Confident101 Ų10173.8 Ų73.847%0.47237%0.367SS..Hα-helixtrans-59-58.1-175.3-175.9176.90.600111.7N137 C138 S143 Y144 H145N137-Q141 WeakPolarHBondContact O-CB 3.09Å; N137-Q141 PolarHBondContact O-N 2.83Å; C138-Q141 PolarHBondContact O-N 3.32Å; Q141-S143 PolarHBondContact O-N 2.82Å; Q141-Y144 PolarHBondContact O-N 2.8Å; Q141-H145 PolarHBondContact O-N 2.84Å
142L88.8Confident77.1Confident14 Ų1478.6 Ų78.67%0.07340%0.397CS..Hα-helixtrans-75.2-4.8-177.7-63.1179.6000114.1L116 V119 C138 V222L116-L142 HydrophobicContact CB-CB 4.1Å; V119-L142 HydrophobicContact CG2-CD1 3.66Å; V119-L142 HydrophobicContact CG2-CD2 4.17Å; V119-L142 HydrophobicContact CG2-CG 3.79Å; C138-L142 PolarHBondContact O-N 3.08Å; L142-V222 HydrophobicContact CB-CB 4.47Å; L142-V222 HydrophobicContact CD1-CB 3.93Å; L142-V222 HydrophobicContact CD1-CG2 3.75Å
143S83.9Confident75.6Confident21 Ų2182.2 Ų82.215%0.14741%0.41CS..Hα-helixtrans-86.4-25.5172.3-69.20000114.2I139 R140 Q141 R202 D205 R224I139-S143 WeakPolarHBondContact O-CB 3.35Å; I139-S143 PolarHBondContact O-N 2.81Å; I139-S143 PolarHBondContact O-OG 2.86Å; R140-S143 PolarHBondContact O-N 3.12Å; Q141-S143 PolarHBondContact O-N 2.82Å; S143-R202 VanDerWaalsContact CB-CD 3.46Å; S143-R202 VanDerWaalsContact OG-CD 3.26Å; S143-R202 WeakPolarHBondContact OG-CD 3.46Å; S143-D205 PolarHBondContact OG-OD2 3.16Å; S143-R224 PolarHBondContact OG-NH2 2.9Å
144Y74.4Confident74.2Confident176 Ų17678.8 Ų78.869%0.6939%0.39SS*.Hα-helixtrans-108.8-29.4179.9-64.3-64.5000113.1R140 Q141 R202R140-Y144 VanDerWaalsContact O-CD2 3.26Å; R140-Y144 WeakPolarHBondContact O-CD2 3.32Å; R140-Y144 PolarHBondContact O-N 3.33Å; Q141-Y144 PolarHBondContact O-N 2.8Å; Y144-R202 PolarHBondContact OH-NH2 3.19Å
145H68.6Low72.6Confident112 Ų11280.8 Ų80.852%0.51941%0.412SS..  trans-74.4128.6167.2-89.938.5000110.4Q141Q141-H145 PolarHBondContact O-N 2.84Å
146K59.3Low71.3Confident157 Ų15782.5 Ų82.568%0.68343%0.43SS*.  trans-110.796.5158.6-179.9-176.7176.1-177.80106.6N148 E159K146-N148 PolarHBondContact O-N 2.79Å; K146-E159 VanDerWaalsContact CA-OE1 3.27Å; K146-E159 WeakPolarHBondContact CA-OE1 3.4Å
147N55.2Low70.5Confident86 Ų8683 Ų8346%0.4643%0.431SS..  trans-85.1106.7-175.7-99.2-11000109.4L149 E159N147-L149 PolarHBondContact O-N 2.84Å; N147-E159 WeakPolarHBondContact CB-OE2 3.11Å; N147-E159 PolarHBondContact N-OE1 3.01Å; N147-E159 PolarHBondContact N-OE2 3.37Å
148N49.1Very low69.6Low141 Ų14180.2 Ų80.275%0.75442%0.42SS*.  trans-71.112.1176.4-54.6-66.3000113.6K146K146-N148 PolarHBondContact O-N 2.79Å
149L50.3Low69Low152 Ų15283.4 Ų83.480%0.79643%0.434SS*.  trans-88.8108.1170.2-9370.6000109.1N147 D151N147-L149 PolarHBondContact O-N 2.84Å; L149-D151 PolarHBondContact O-N 3.36Å; L149-D151 VanDerWaalsContact O-N 3.1Å
150H53.4Low68.4Low174 Ų17485.6 Ų85.681%0.80646%0.457SS*.  trans-68.3106.1174.4-165.3-40.2000110P152H150-P152 VanDerWaalsContact O-CD 3.22Å; H150-P152 WeakPolarHBondContact O-CD 3.25Å
151D60Low68.2Low47 Ų4784.9 Ų84.925%0.25146%0.456SS..  trans-59.6117.4174.4176.48.7000110.1W118 L149 M153 A154W118-D151 PolarHBondContact NE1-OD2 2.97Å; L149-D151 PolarHBondContact O-N 3.36Å; L149-D151 VanDerWaalsContact O-N 3.1Å; D151-M153 VanDerWaalsContact C-N 3.25Å; D151-M153 PolarHBondContact O-N 3.38Å; D151-M153 WeakPolarHBondContact OD1-CA 3.38Å; D151-M153 WeakPolarHBondContact OD1-CB 3.38Å; D151-M153 PolarHBondContact OD1-N 2.69Å; D151-A154 HydrophobicContact CB-CB 3.9Å; D151-A154 WeakPolarHBondContact OD2-CB 3.28Å; D151-A154 PolarHBondContact OD2-N 2.9Å
152P55.5Low68.2Low125 Ų12583.6 Ų83.681%0.81245%0.453SS*.THydrogen-bonded Turntrans-70.2-21.7177.6-17.632.7000113.2H150H150-P152 VanDerWaalsContact O-CD 3.22Å; H150-P152 WeakPolarHBondContact O-CD 3.25Å
153M58.1Low68.5Low133 Ų13383 Ų8366%0.65545%0.45SS*.THydrogen-bonded Turntrans-92.2-6.1-176.1-65.2-63.1-64.400113.3D151 G155D151-M153 VanDerWaalsContact C-N 3.25Å; D151-M153 PolarHBondContact O-N 3.38Å; D151-M153 WeakPolarHBondContact OD1-CA 3.38Å; D151-M153 WeakPolarHBondContact OD1-CB 3.38Å; D151-M153 PolarHBondContact OD1-N 2.69Å; M153-G155 PolarHBondContact O-N 2.78Å
154A61.8Low69.1Low11 Ų1183.5 Ų83.59%0.09145%0.451CS..SBendtrans-71.413.6-174.700000115.7D151 G156 W157D151-A154 HydrophobicContact CB-CB 3.9Å; D151-A154 WeakPolarHBondContact OD2-CB 3.28Å; D151-A154 PolarHBondContact OD2-N 2.9Å; A154-G156 PolarHBondContact O-N 2.89Å; A154-W157 VanDerWaalsContact O-CD1 3.3Å; A154-W157 PolarHBondContact O-N 3.16Å; A154-W157 PolarHBondContact O-NE1 2.85Å
155G59.6Low70.2Confident53 Ų5375.1 Ų75.155%0.54642%0.418SS..THydrogen-bonded Turntrans56.319169.400000116.4M153M153-G155 PolarHBondContact O-N 2.78Å
156G67Low71.5Confident40 Ų4071.1 Ų71.141%0.41240%0.399SS..THydrogen-bonded Turntrans79.914.3-17400000115.8A154 K161A154-G156 PolarHBondContact O-N 2.89Å; G156-K161 WeakPolarHBondContact O-CD 3.45Å; G156-K161 WeakPolarHBondContact O-CE 3.18Å; G156-K161 PolarHBondContact O-NZ 2.73Å
157W76.1Confident73.3Confident27 Ų2763.6 Ų63.610%0.10237%0.367CS..  trans-132.321.317856-87000114.2S115 A154 L163 L174 L183 H184 H221 F223S115-W157 VanDerWaalsContact CB-O 3.31Å; S115-W157 WeakPolarHBondContact CB-O 2.94Å; S115-W157 PolarHBondContact OG-O 3.14Å; A154-W157 VanDerWaalsContact O-CD1 3.3Å; A154-W157 PolarHBondContact O-N 3.16Å; A154-W157 PolarHBondContact O-NE1 2.85Å; W157-L163 HydrophobicContact CB-CD1 4.02Å; W157-L163 HydrophobicContact CB-CD2 4.17Å; W157-L174 HydrophobicContact CD2-CD1 3.88Å; W157-L174 HydrophobicContact CE3-CD1 3.44Å; W157-L174 VanDerWaalsContact CE3-CD1 3.44Å; W157-L174 HydrophobicContact CG-CD1 4.44Å; W157-L174 HydrophobicContact CH2-CD1 4.41Å; W157-L174 HydrophobicContact CZ3-CD1 3.73Å; W157-L183 HydrophobicContact CB-CB 4.27Å; W157-L183 HydrophobicContact CB-CD1 4.01Å; W157-L183 HydrophobicContact CG-CB 4.42Å; W157-H184 HydrophobicContact CD2-CB 4.35Å; W157-H184 AromaticContact CE2-CG 3.92Å; W157-H184 AromaticContact CE2-ND1 3.95Å; W157-H184 HydrophobicContact CZ2-CB 4.09Å; W157-H184 AromaticContact CZ2-CE1 3.85Å; W157-H184 AromaticContact CZ2-CG 3.64Å; W157-H184 AromaticContact CZ2-ND1 3.45Å; W157-H184 WeakPolarHBondContact CZ2-ND1 3.29Å; W157-H221 AromaticContact CH2-CE1 3.39Å; W157-H221 WeakPolarHBondContact CH2-CE1 3.39Å; W157-H221 AromaticContact CH2-ND1 3.47Å; W157-H221 WeakPolarHBondContact CH2-ND1 3.44Å; W157-H221 AromaticContact CH2-NE2 3.96Å; W157-H221 AromaticContact CZ3-CE1 3.88Å; W157-H221 AromaticContact CZ3-ND1 3.46Å; W157-H221 WeakPolarHBondContact CZ3-ND1 3.31Å; W157-F223 HydrophobicContact CZ3-CZ 4.3Å
158G72.5Confident75.1Confident15 Ų1561.5 Ų61.516%0.15535%0.354CS..  trans-67.9-171.2178.100000115.9S115 K161S115-G158 VanDerWaalsContact CB-O 3.25Å; S115-G158 WeakPolarHBondContact CB-O 3.22Å; S115-G158 PolarHBondContact OG-O 3.5Å; G158-K161 PolarHBondContact O-N 2.97Å
159E80.8Confident76.9Confident70 Ų7060.4 Ų60.433%0.32735%0.348SS..THydrogen-bonded Turntrans-47.5136.4-174.6-170.7-174138.900113.2K146 N147 K161K146-E159 VanDerWaalsContact CA-OE1 3.27Å; K146-E159 WeakPolarHBondContact CA-OE1 3.4Å; N147-E159 WeakPolarHBondContact CB-OE2 3.11Å; N147-E159 PolarHBondContact N-OE1 3.01Å; N147-E159 PolarHBondContact N-OE2 3.37Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 PolarHBondContact O-N 2.89Å
160G80.8Confident78.9Confident47 Ų4757.1 Ų57.149%0.48533%0.329SS..THydrogen-bonded Turntrans85.6-13.3174.700000115.3S115S115-G160 PolarHBondContact O-N 2.76Å
161K86.1Confident80.9Confident80 Ų8050.1 Ų50.135%0.34830%0.298SS..  trans-76.3135179.3-82-168.2152.3-139.20113.4R114 S115 G156 G158 E159 E176R114-K161 CarbonylContact C-O 3.56Å; R114-K161 WeakPolarHBondContact CA-O 3.39Å; S115-K161 PolarHBondContact N-O 2.8Å; G156-K161 WeakPolarHBondContact O-CD 3.45Å; G156-K161 WeakPolarHBondContact O-CE 3.18Å; G156-K161 PolarHBondContact O-NZ 2.73Å; G158-K161 PolarHBondContact O-N 2.97Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 PolarHBondContact O-N 2.89Å; K161-E176 IonicContact NZ-OE1 2.74Å; K161-E176 PolarHBondContact NZ-OE1 3.49Å; K161-E176 VanDerWaalsContact NZ-OE1 3.11Å
162D91.9Very high82.7Confident75 Ų7547.9 Ų47.940%0.40129%0.286SS..EExtended strand (participates in β ladder)trans-81.6135168.4-67.1-42.6000111R114 P177R114-D162 WeakPolarHBondContact CB-OD1 3.24Å; R114-D162 IonicContact CZ-OD1 3.51Å; R114-D162 VanDerWaalsContact CZ-OD1 3.24Å; R114-D162 IonicContact CZ-OD2 2.8Å; R114-D162 IonicContact NE-OD1 2.79Å; R114-D162 PolarHBondContact NE-OD1 3.42Å; R114-D162 IonicContact NE-OD2 3.52Å; R114-D162 VanDerWaalsContact NH2-CG 3.27Å; R114-D162 IonicContact NH2-OD1 3.35Å; R114-D162 PolarHBondContact NH2-OD1 2.84Å; R114-D162 IonicContact NH2-OD2 2.68Å; R114-D162 PolarHBondContact NH2-OD2 2.82Å; D162-P177 WeakPolarHBondContact O-CD 3.29Å
163L95.2Very high84.6Confident2 Ų243.5 Ų43.51%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-144.5153.6-166.9-62.9173.7000110.8V113 W157 L174 L183 F223V113-L163 HydrophobicContact CG2-CB 4.1Å; V113-L163 PolarHBondContact N-O 2.98Å; V113-L163 PolarHBondContact O-N 3.14Å; V113-L163 VanDerWaalsContact O-O 3.06Å; W157-L163 HydrophobicContact CB-CD1 4.02Å; W157-L163 HydrophobicContact CB-CD2 4.17Å; L163-L174 HydrophobicContact CD1-CD1 4.37Å; L163-L183 HydrophobicContact CD2-CD1 3.68Å; L163-F223 HydrophobicContact CD1-CE1 4.2Å
164L95.8Very high86.4Confident31 Ų3137.2 Ų37.216%0.16222%0.223CC..EExtended strand (participates in β ladder)trans-97.1113.7162.8-60.7-179.9000108.8Q166 V175 P177 Q180L164-Q166 HydrophobicContact CB-CG 4.47Å; L164-V175 HydrophobicContact CB-CB 4.25Å; L164-V175 PolarHBondContact N-O 3.27Å; L164-V175 PolarHBondContact O-N 3.06Å; L164-P177 HydrophobicContact CG-CB 4.24Å; L164-P177 HydrophobicContact CG-CG 4.2Å; L164-Q180 VanDerWaalsContact CD1-NE2 3.33Å
165L97.2Very high87.9Confident0 Ų037 Ų370%022%0.221CC..EExtended strand (participates in β ladder)trans-86.6111.7168.8-172159.8000107.8F111 V113 L167 L172 L174 F206 I232F111-L165 HydrophobicContact CD2-CD2 4.08Å; F111-L165 PolarHBondContact N-O 3.06Å; F111-L165 PolarHBondContact O-N 3.3Å; V113-L165 HydrophobicContact CG1-CB 4.15Å; V113-L165 HydrophobicContact CG2-CB 3.87Å; L165-L167 HydrophobicContact CD2-CD2 3.82Å; L165-L167 HydrophobicContact CD2-CG 4.12Å; L165-L172 HydrophobicContact CD1-CD1 4.34Å; L165-L172 HydrophobicContact CD1-CD2 4.36Å; L165-L172 HydrophobicContact CD1-CG 4.49Å; L165-L172 HydrophobicContact CD2-CD1 4.39Å; L165-L172 HydrophobicContact CD2-CG 4.11Å; L165-L172 HydrophobicContact CG-CD2 4.1Å; L165-L172 HydrophobicContact CG-CG 4.17Å; L165-L174 HydrophobicContact CB-CD2 4.08Å; L165-L174 HydrophobicContact CD1-CD2 4.23Å; L165-L174 HydrophobicContact CG-CD2 4.01Å; L165-F206 HydrophobicContact CD1-CD1 4.16Å; L165-F206 HydrophobicContact CD1-CE1 4.17Å; L165-I232 HydrophobicContact CD1-CD1 4.33Å; L165-I232 HydrophobicContact CD2-CG2 4Å
166Q96.4Very high89.5Confident27 Ų2736.6 Ų36.613%0.12621%0.205CC..EExtended strand (participates in β ladder)trans-110.6134.9-178.4-68173-0.800110K109 C110 L164 K173K109-Q166 CarbonylContact O-C 3.58Å; K109-Q166 WeakPolarHBondContact O-CA 3.1Å; C110-Q166 HydrophobicContact CB-CG 4.07Å; L164-Q166 HydrophobicContact CB-CG 4.47Å; Q166-K173 HydrophobicContact CB-CB 4.24Å; Q166-K173 PolarHBondContact N-O 2.84Å; Q166-K173 PolarHBondContact O-N 3.44Å
167L95.9Very high90.6Very high0 Ų036.6 Ų36.60%020%0.197CC..EExtended strand (participates in β ladder)trans-108.9110.5171.3-54.6179.7000108.1K109 F111 L165 L172 I188 L236 I239K109-L167 HydrophobicContact CB-CB 4.37Å; K109-L167 PolarHBondContact N-O 3.43Å; K109-L167 VanDerWaalsContact N-O 3.14Å; K109-L167 PolarHBondContact O-N 2.86Å; F111-L167 HydrophobicContact CE2-CD1 3.97Å; F111-L167 HydrophobicContact CE2-CG 4.26Å; L165-L167 HydrophobicContact CD2-CD2 3.82Å; L165-L167 HydrophobicContact CD2-CG 4.12Å; L167-L172 HydrophobicContact CD2-CB 3.95Å; L167-L172 HydrophobicContact CD2-CD1 4.27Å; L167-L172 HydrophobicContact CD2-CG 3.89Å; L167-I188 HydrophobicContact CD2-CD1 4.37Å; L167-L236 HydrophobicContact CD1-CD2 4.07Å; L167-L236 HydrophobicContact CD1-CG 4Å; L167-L236 HydrophobicContact CD2-CD2 3.64Å; L167-L236 HydrophobicContact CD2-CG 4.25Å; L167-I239 HydrophobicContact CB-CD1 3.67Å; L167-I239 HydrophobicContact CD1-CD1 4.09Å; L167-I239 HydrophobicContact CG-CD1 4.45Å
168E92.9Very high91.2Very high41 Ų4142.9 Ų42.919%0.19223%0.228CC..EExtended strand (participates in β ladder)trans-154.6144.4-173.7-175.7-177.3-144.600108.9I108 E170 T171 K173I108-E168 HydrophobicContact CD1-CG 4.45Å; I108-E168 WeakPolarHBondContact CD1-OE1 3.4Å; I108-E168 HydrophobicContact CG1-CB 4.33Å; I108-E168 HydrophobicContact CG1-CG 3.9Å; I108-E168 WeakPolarHBondContact CG1-OE1 2.84Å; I108-E168 HydrophobicContact CG2-CB 4.49Å; E168-E170 PolarHBondContact O-N 3.2Å; E168-T171 PolarHBondContact N-O 3.29Å; E168-T171 VanDerWaalsContact N-O 3.1Å; E168-T171 CarbonylContact O-C 3.56Å; E168-T171 WeakPolarHBondContact O-CA 3.18Å; E168-T171 WeakPolarHBondContact O-CB 3.4Å; E168-T171 PolarHBondContact O-N 3.41Å; E168-K173 HydrophobicContact CB-CD 4.43Å; E168-K173 IonicContact OE2-NZ 3.81Å; E168-K173 PolarHBondContact OE2-NZ 3.15Å
169D88.5Confident92Very high119 Ų11946.4 Ų46.464%0.63624%0.243SC*.THydrogen-bonded Turntrans48.252.1176.1-48.5-39.8000114.8T171 K173D169-T171 PolarHBondContact O-N 2.93Å; D169-T171 PolarHBondContact O-OG1 2.84Å; D169-K173 IonicContact OD2-NZ 3.61Å; D169-K173 PolarHBondContact OD2-NZ 3.27Å; D169-K173 VanDerWaalsContact OD2-NZ 3.16Å
170E92.1Very high92.4Very high82 Ų8248.1 Ų48.138%0.38325%0.251SS..THydrogen-bonded Turntrans53.420.4-175.7-55.6-169.6179.400114.3E168 I188 I243E168-E170 PolarHBondContact O-N 3.2Å; E170-I188 VanDerWaalsContact O-CB 3.24Å; E170-I188 WeakPolarHBondContact O-CB 3.44Å; E170-I188 WeakPolarHBondContact O-CG1 3.28Å; E170-I188 PolarHBondContact O-N 2.99Å; E170-I243 HydrophobicContact CB-CD1 4.01Å; E170-I243 HydrophobicContact CB-CG1 4.49Å; E170-I243 VanDerWaalsContact CD-CG1 3.48Å; E170-I243 HydrophobicContact CG-CD1 3.92Å; E170-I243 HydrophobicContact CG-CG1 3.85Å
171T94.7Very high93Very high27 Ų2749 Ų4917%0.16625%0.248CC..EExtended strand (participates in β ladder)trans-129.6137.4-169.9-56.90000111.1E168 D169 K173 A185E168-T171 PolarHBondContact N-O 3.29Å; E168-T171 VanDerWaalsContact N-O 3.1Å; E168-T171 CarbonylContact O-C 3.56Å; E168-T171 WeakPolarHBondContact O-CA 3.18Å; E168-T171 WeakPolarHBondContact O-CB 3.4Å; E168-T171 PolarHBondContact O-N 3.41Å; D169-T171 PolarHBondContact O-N 2.93Å; D169-T171 PolarHBondContact O-OG1 2.84Å; T171-K173 HydrophobicContact CG2-CG 3.94Å; T171-A185 HydrophobicContact CG2-CB 4.13Å
172L97.1Very high93.3Very high0 Ų049.9 Ų49.90%026%0.256CS..EExtended strand (participates in β ladder)trans-89.1113.1166.6-174.1163.9000107.6L165 L167 L174 Q186 I188 I191 Y208L165-L172 HydrophobicContact CD1-CD1 4.34Å; L165-L172 HydrophobicContact CD1-CD2 4.36Å; L165-L172 HydrophobicContact CD1-CG 4.49Å; L165-L172 HydrophobicContact CD2-CD1 4.39Å; L165-L172 HydrophobicContact CD2-CG 4.11Å; L165-L172 HydrophobicContact CG-CD2 4.1Å; L165-L172 HydrophobicContact CG-CG 4.17Å; L167-L172 HydrophobicContact CD2-CB 3.95Å; L167-L172 HydrophobicContact CD2-CD1 4.27Å; L167-L172 HydrophobicContact CD2-CG 3.89Å; L172-L174 HydrophobicContact CD2-CD2 3.91Å; L172-L174 HydrophobicContact CD2-CG 4.18Å; L172-Q186 HydrophobicContact CB-CB 4.42Å; L172-Q186 PolarHBondContact N-O 3.03Å; L172-Q186 PolarHBondContact O-N 2.82Å; L172-I188 HydrophobicContact CB-CG1 4.36Å; L172-I191 HydrophobicContact CB-CD1 4.44Å; L172-I191 HydrophobicContact CD1-CD1 4.06Å; L172-Y208 HydrophobicContact CD1-CD1 3.89Å; L172-Y208 HydrophobicContact CD1-CE1 3.99Å; L172-Y208 HydrophobicContact CD1-CG 4.47Å; L172-Y208 HydrophobicContact CD2-CE1 4.04Å
173K96.1Very high93.3Very high34 Ų3448.3 Ų48.315%0.14825%0.247CC..EExtended strand (participates in β ladder)trans-104.9136.7180-57.7176.7-168.61780108.6Q166 E168 D169 T171 V175 L182 H184Q166-K173 HydrophobicContact CB-CB 4.24Å; Q166-K173 PolarHBondContact N-O 2.84Å; Q166-K173 PolarHBondContact O-N 3.44Å; E168-K173 HydrophobicContact CB-CD 4.43Å; E168-K173 IonicContact OE2-NZ 3.81Å; E168-K173 PolarHBondContact OE2-NZ 3.15Å; D169-K173 IonicContact OD2-NZ 3.61Å; D169-K173 PolarHBondContact OD2-NZ 3.27Å; D169-K173 VanDerWaalsContact OD2-NZ 3.16Å; T171-K173 HydrophobicContact CG2-CG 3.94Å; K173-V175 HydrophobicContact CB-CG2 4.41Å; K173-L182 HydrophobicContact CB-CD1 3.76Å; K173-L182 HydrophobicContact CD-CD1 4.48Å; K173-L182 HydrophobicContact CG-CD1 4.16Å; K173-H184 CarbonylContact C-O 3.45Å; K173-H184 WeakPolarHBondContact CA-O 3.24Å
174L95.8Very high93.1Very high0 Ų050.5 Ų50.50%026%0.257CS..EExtended strand (participates in β ladder)trans-108.6123.6168.1-58178.2000108.2W157 L163 L165 L172 L183 H184 F223W157-L174 HydrophobicContact CD2-CD1 3.88Å; W157-L174 HydrophobicContact CE3-CD1 3.44Å; W157-L174 VanDerWaalsContact CE3-CD1 3.44Å; W157-L174 HydrophobicContact CG-CD1 4.44Å; W157-L174 HydrophobicContact CH2-CD1 4.41Å; W157-L174 HydrophobicContact CZ3-CD1 3.73Å; L163-L174 HydrophobicContact CD1-CD1 4.37Å; L165-L174 HydrophobicContact CB-CD2 4.08Å; L165-L174 HydrophobicContact CD1-CD2 4.23Å; L165-L174 HydrophobicContact CG-CD2 4.01Å; L172-L174 HydrophobicContact CD2-CD2 3.91Å; L172-L174 HydrophobicContact CD2-CG 4.18Å; L174-L183 PolarHBondContact O-N 2.85Å; L174-H184 HydrophobicContact CB-CB 4.01Å; L174-H184 HydrophobicContact CD1-CB 4.01Å; L174-H184 HydrophobicContact CG-CB 4.17Å; L174-H184 PolarHBondContact N-O 3.45Å; L174-H184 PolarHBondContact O-N 3.07Å; L174-F223 HydrophobicContact CD1-CE1 3.89Å; L174-F223 HydrophobicContact CD1-CZ 3.86Å; L174-F223 HydrophobicContact CD2-CE1 4.06Å; L174-F223 HydrophobicContact CD2-CZ 4.27Å
175V94.6Very high93.1Very high6 Ų650.8 Ų50.84%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-127.1138.9-170.3175.10000110.2L164 K173 Q180 T181 L182L164-V175 HydrophobicContact CB-CB 4.25Å; L164-V175 PolarHBondContact N-O 3.27Å; L164-V175 PolarHBondContact O-N 3.06Å; K173-V175 HydrophobicContact CB-CG2 4.41Å; V175-Q180 HydrophobicContact CG1-CB 4.26Å; V175-T181 CarbonylContact C-O 3.59Å; V175-T181 WeakPolarHBondContact CA-O 3.41Å; V175-L182 HydrophobicContact CG2-CD1 4.05Å
176E92.9Very high92.9Very high46 Ų4651.3 Ų51.322%0.21527%0.266CS..  trans-74.5123.8177-169.4159.2-105.900110.5K161 Q178 N179 Q180 T181 L183K161-E176 IonicContact NZ-OE1 2.74Å; K161-E176 PolarHBondContact NZ-OE1 3.49Å; K161-E176 VanDerWaalsContact NZ-OE1 3.11Å; E176-Q178 PolarHBondContact O-N 3.29Å; E176-N179 PolarHBondContact OE2-ND2 2.96Å; E176-Q180 WeakPolarHBondContact O-CA 3.44Å; E176-Q180 PolarHBondContact O-N 3.3Å; E176-T181 PolarHBondContact N-O 3.47Å; E176-L183 HydrophobicContact CB-CD1 4.04Å; E176-L183 HydrophobicContact CB-CD2 4.42Å; E176-L183 HydrophobicContact CB-CG 4.25Å
177P90.4Very high92.9Very high39 Ų3952 Ų5225%0.25327%0.273SS..THydrogen-bonded Turntrans-59.3-39.5-167.8-25.632.8000114.9D162 L164 Q180D162-P177 WeakPolarHBondContact O-CD 3.29Å; L164-P177 HydrophobicContact CG-CB 4.24Å; L164-P177 HydrophobicContact CG-CG 4.2Å; P177-Q180 PolarHBondContact O-NE2 2.79Å
178Q88.6Confident92.7Very high159 Ų15952.1 Ų52.174%0.74327%0.274SS*.THydrogen-bonded Turntrans-77.1-33.9-167.6-64.178.26.300113.7E176E176-Q178 PolarHBondContact O-N 3.29Å
179N89.3Confident92.6Very high89 Ų8953.3 Ų53.348%0.47628%0.284SS..THydrogen-bonded Turntrans-122.4-1.9-173.561.630000113.3E176 T181E176-N179 PolarHBondContact OE2-ND2 2.96Å; N179-T181 PolarHBondContact O-N 2.81Å; N179-T181 WeakPolarHBondContact OD1-CB 3.4Å; N179-T181 PolarHBondContact OD1-N 2.84Å; N179-T181 PolarHBondContact OD1-OG1 3.5Å
180Q89.3Confident92.8Very high106 Ų10650.8 Ų50.850%0.49528%0.275SS..  trans58.826.8-176.9-57.3-66.3-58.500114.5L164 V175 E176 P177 L182L164-Q180 VanDerWaalsContact CD1-NE2 3.33Å; V175-Q180 HydrophobicContact CG1-CB 4.26Å; E176-Q180 WeakPolarHBondContact O-CA 3.44Å; E176-Q180 PolarHBondContact O-N 3.3Å; P177-Q180 PolarHBondContact O-NE2 2.79Å; Q180-L182 PolarHBondContact O-N 2.81Å
181T91.8Very high92.9Very high67 Ų6747.7 Ų47.741%0.41126%0.261SS..  trans-71.1128.5175.5-56.80000110.9V175 E176 N179 L183V175-T181 CarbonylContact C-O 3.59Å; V175-T181 WeakPolarHBondContact CA-O 3.41Å; E176-T181 PolarHBondContact N-O 3.47Å; N179-T181 PolarHBondContact O-N 2.81Å; N179-T181 WeakPolarHBondContact OD1-CB 3.4Å; N179-T181 PolarHBondContact OD1-N 2.84Å; N179-T181 PolarHBondContact OD1-OG1 3.5Å; T181-L183 HydrophobicContact CG2-CD2 4.17Å; T181-L183 PolarHBondContact O-N 3.2Å
182L92.3Very high92.8Very high98 Ų9851.4 Ų51.451%0.51327%0.272SS..EExtended strand (participates in β ladder)trans-72.1111.5172.5-178.766.1000110.5K173 V175 Q180 H184 A185K173-L182 HydrophobicContact CB-CD1 3.76Å; K173-L182 HydrophobicContact CD-CD1 4.48Å; K173-L182 HydrophobicContact CG-CD1 4.16Å; V175-L182 HydrophobicContact CG2-CD1 4.05Å; Q180-L182 PolarHBondContact O-N 2.81Å; L182-H184 VanDerWaalsContact CD1-O 3.31Å; L182-H184 WeakPolarHBondContact CD1-O 3.44Å; L182-A185 HydrophobicContact CD2-CB 4.43Å
183L92.2Very high92.7Very high41 Ų4152.7 Ų52.722%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-93.3-32.6-180-56.6-177.5000112.6W157 L163 L174 E176 T181W157-L183 HydrophobicContact CB-CB 4.27Å; W157-L183 HydrophobicContact CB-CD1 4.01Å; W157-L183 HydrophobicContact CG-CB 4.42Å; L163-L183 HydrophobicContact CD2-CD1 3.68Å; L174-L183 PolarHBondContact O-N 2.85Å; E176-L183 HydrophobicContact CB-CD1 4.04Å; E176-L183 HydrophobicContact CB-CD2 4.42Å; E176-L183 HydrophobicContact CB-CG 4.25Å; T181-L183 HydrophobicContact CG2-CD2 4.17Å; T181-L183 PolarHBondContact O-N 3.2Å
184H92.1Very high92.7Very high48 Ų4854.6 Ų54.622%0.22229%0.286CS..EExtended strand (participates in β ladder)trans-151148.6179.2-170.172.2000112.1W157 K173 L174 L182W157-H184 HydrophobicContact CD2-CB 4.35Å; W157-H184 AromaticContact CE2-CG 3.92Å; W157-H184 AromaticContact CE2-ND1 3.95Å; W157-H184 HydrophobicContact CZ2-CB 4.09Å; W157-H184 AromaticContact CZ2-CE1 3.85Å; W157-H184 AromaticContact CZ2-CG 3.64Å; W157-H184 AromaticContact CZ2-ND1 3.45Å; W157-H184 WeakPolarHBondContact CZ2-ND1 3.29Å; K173-H184 CarbonylContact C-O 3.45Å; K173-H184 WeakPolarHBondContact CA-O 3.24Å; L174-H184 HydrophobicContact CB-CB 4.01Å; L174-H184 HydrophobicContact CD1-CB 4.01Å; L174-H184 HydrophobicContact CG-CB 4.17Å; L174-H184 PolarHBondContact N-O 3.45Å; L174-H184 PolarHBondContact O-N 3.07Å; L182-H184 VanDerWaalsContact CD1-O 3.31Å; L182-H184 WeakPolarHBondContact CD1-O 3.44Å
185A94.1Very high92.7Very high38 Ų3855.5 Ų55.531%0.31430%0.295SS..EExtended strand (participates in β ladder)trans-140.3111.2175.900000111.1T171 L182T171-A185 HydrophobicContact CG2-CB 4.13Å; L182-A185 HydrophobicContact CD2-CB 4.43Å
186Q95.1Very high92.7Very high11 Ų1156.9 Ų56.95%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-112.9109.8-177.5174.253.554.900109.9L172 I188 I191 Y208 A210L172-Q186 HydrophobicContact CB-CB 4.42Å; L172-Q186 PolarHBondContact N-O 3.03Å; L172-Q186 PolarHBondContact O-N 2.82Å; Q186-I188 PolarHBondContact O-N 3.43Å; Q186-I191 HydrophobicContact CG-CD1 4.18Å; Q186-I191 HydrophobicContact CG-CG1 3.73Å; Q186-Y208 HydrophobicContact CB-CE2 4.48Å; Q186-Y208 HydrophobicContact CG-CE2 3.88Å; Q186-A210 HydrophobicContact CG-CB 4.24Å
187P94.4Very high92.6Very high40 Ų4054.9 Ų54.926%0.2630%0.296SS..EExtended strand (participates in β ladder)trans-57.1128.6173.2-24.734.7000110.7V189 S190 I191P187-V189 HydrophobicContact CB-CG2 3.88Å; P187-V189 PolarHBondContact O-N 2.99Å; P187-S190 PolarHBondContact O-N 2.93Å; P187-I191 PolarHBondContact O-N 3.45Å
188I93.7Very high92.3Very high3 Ų362.3 Ų62.32%0.01532%0.319CS..G310 helixtrans-62.6-34.6-176.4-66.9168.6000110.2L167 E170 L172 Q186 S190 I191 L236 I239 C240 I243L167-I188 HydrophobicContact CD2-CD1 4.37Å; E170-I188 VanDerWaalsContact O-CB 3.24Å; E170-I188 WeakPolarHBondContact O-CB 3.44Å; E170-I188 WeakPolarHBondContact O-CG1 3.28Å; E170-I188 PolarHBondContact O-N 2.99Å; L172-I188 HydrophobicContact CB-CG1 4.36Å; Q186-I188 PolarHBondContact O-N 3.43Å; I188-S190 PolarHBondContact O-N 3.36Å; I188-I191 HydrophobicContact CG1-CD1 4.42Å; I188-I191 WeakPolarHBondContact O-CB 3.48Å; I188-I191 PolarHBondContact O-N 2.99Å; I188-L236 HydrophobicContact CD1-CD2 3.75Å; I188-L236 HydrophobicContact CG1-CD2 3.82Å; I188-L236 HydrophobicContact CG2-CD2 4.08Å; I188-I239 HydrophobicContact CD1-CB 4.33Å; I188-I239 HydrophobicContact CD1-CD1 4.13Å; I188-I239 HydrophobicContact CD1-CG2 3.69Å; I188-C240 WeakPolarHBondContact CG2-SG 3.44Å; I188-I243 HydrophobicContact CG2-CD1 4.44Å
189V90.4Very high92.1Very high67 Ų6756.5 Ų56.541%0.40629%0.292SS..G310 helixtrans-61.3-10.9173.7-58.20000114.9P187 I243 R247P187-V189 HydrophobicContact CB-CG2 3.88Å; P187-V189 PolarHBondContact O-N 2.99Å; V189-I243 HydrophobicContact CG1-CD1 3.94Å; V189-I243 HydrophobicContact CG1-CG2 4.1Å; V189-R247 VanDerWaalsContact CG1-NH2 3.3Å
190S92.2Very high91.3Very high66 Ų6657.8 Ų57.846%0.46231%0.309SS..G310 helixtrans-115.43.4178.3-57.40000113.1P187 I188P187-S190 PolarHBondContact O-N 2.93Å; I188-S190 PolarHBondContact O-N 3.36Å
191I94.3Very high90.7Very high16 Ų1655.9 Ų55.98%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-74.5124.9167.3-61.7176.6000107.9L172 Q186 P187 I188 V193 W194 Y208 L236L172-I191 HydrophobicContact CB-CD1 4.44Å; L172-I191 HydrophobicContact CD1-CD1 4.06Å; Q186-I191 HydrophobicContact CG-CD1 4.18Å; Q186-I191 HydrophobicContact CG-CG1 3.73Å; P187-I191 PolarHBondContact O-N 3.45Å; I188-I191 HydrophobicContact CG1-CD1 4.42Å; I188-I191 WeakPolarHBondContact O-CB 3.48Å; I188-I191 PolarHBondContact O-N 2.99Å; I191-V193 WeakPolarHBondContact CG2-O 3.43Å; I191-W194 HydrophobicContact CG2-CE3 4.07Å; I191-Y208 HydrophobicContact CD1-CD2 4.41Å; I191-Y208 HydrophobicContact CG1-CD2 4.29Å; I191-Y208 HydrophobicContact CG2-CD2 4.46Å; I191-L236 HydrophobicContact CD1-CD2 4.49Å
192R92.3Very high90.3Very high105 Ų10553.7 Ų53.740%0.39630%0.302SS..EExtended strand (participates in β ladder)trans-77.2-44.3-178.2-69.1-66.1-54.9-88.5-4.8112.2E123 L126 V209 L218E123-R192 VanDerWaalsContact CD-NH1 3.29Å; E123-R192 IonicContact OE1-CZ 4Å; E123-R192 VanDerWaalsContact OE1-CZ 3.24Å; E123-R192 IonicContact OE1-NH1 3.62Å; E123-R192 PolarHBondContact OE1-NH1 2.85Å; E123-R192 IonicContact OE1-NH2 2.97Å; E123-R192 PolarHBondContact OE1-NH2 2.93Å; E123-R192 IonicContact OE2-CZ 3.16Å; E123-R192 IonicContact OE2-NH1 2.76Å; E123-R192 PolarHBondContact OE2-NH1 2.91Å; E123-R192 IonicContact OE2-NH2 2.69Å; L126-R192 HydrophobicContact CD1-CB 4.19Å; L126-R192 HydrophobicContact CD1-CG 4.44Å; R192-V209 HydrophobicContact CB-CB 4.49Å; R192-V209 PolarHBondContact N-O 2.98Å; R192-L218 HydrophobicContact CG-CD2 4.1Å
193V95.2Very high90Very high27 Ų2755.2 Ų55.216%0.16431%0.306CS..EExtended strand (participates in β ladder)trans-151.8148.1-174.9-171.90000107.8L126 V135 I191 Y208 V209L126-V193 HydrophobicContact CD2-CG2 4.2Å; V135-V193 HydrophobicContact CG2-CB 4.42Å; V135-V193 HydrophobicContact CG2-CG1 3.94Å; I191-V193 WeakPolarHBondContact CG2-O 3.43Å; V193-Y208 WeakPolarHBondContact O-CA 3.46Å; V193-V209 HydrophobicContact CB-CB 4.38Å; V193-V209 HydrophobicContact CB-CG2 4.24Å; V193-V209 PolarHBondContact O-N 3.46Å
194W96.3Very high90Very high75 Ų7558.8 Ų58.828%0.28432%0.317SS..EExtended strand (participates in β ladder)trans-134.7161.816266.687.5000111I191 F206 A207 A233 L236 H237 C240I191-W194 HydrophobicContact CG2-CE3 4.07Å; W194-F206 HydrophobicContact CB-CE2 4.02Å; W194-F206 HydrophobicContact CB-CZ 4.07Å; W194-F206 HydrophobicContact CG-CE2 4.39Å; W194-A207 CarbonylContact C-O 3.57Å; W194-A207 WeakPolarHBondContact CA-O 3.31Å; W194-A207 WeakPolarHBondContact CB-O 3.45Å; W194-A233 PolarHBondContact NE1-O 2.74Å; W194-L236 HydrophobicContact CD2-CB 4.4Å; W194-L236 HydrophobicContact CD2-CD1 4.4Å; W194-L236 HydrophobicContact CG-CD1 4.23Å; W194-L236 HydrophobicContact CZ2-CB 4.21Å; W194-H237 HydrophobicContact CZ2-CB 4.21Å; W194-C240 HydrophobicContact CH2-CB 4.12Å; W194-C240 VanDerWaalsContact CH2-SG 3.5Å
195G94.9Very high90.2Very high18 Ų1856.5 Ų56.519%0.18631%0.306CS..EExtended strand (participates in β ladder)trans-156.4170.7-175.400000113.4F206 A207G195-F206 VanDerWaalsContact O-CD2 3.29Å; G195-F206 WeakPolarHBondContact O-CD2 3.22Å; G195-A207 PolarHBondContact N-O 3.44Å; G195-A207 PolarHBondContact O-N 2.93Å
196V94.8Very high90.3Very high36 Ų3654.7 Ų54.722%0.21829%0.291CS..EExtended strand (participates in β ladder)trans-134.2141174.9175.50000107.5R198 D205 F206 A229 A233V196-R198 PolarHBondContact O-N 3.35Å; V196-D205 CarbonylContact C-O 3.51Å; V196-D205 WeakPolarHBondContact CA-O 3.39Å; V196-F206 HydrophobicContact CG2-CD2 4.4Å; V196-A229 HydrophobicContact CB-CB 4.47Å; V196-A229 HydrophobicContact CG1-CB 3.79Å; V196-A229 HydrophobicContact CG2-CB 4.01Å; V196-A233 HydrophobicContact CG2-CB 3.76Å
197G90.4Very high90.4Very high4 Ų454.1 Ų54.14%0.04129%0.289CS..  trans-59.6130.9178.400000111.7R202 D205G197-R202 VanDerWaalsContact CA-O 3.3Å; G197-R202 WeakPolarHBondContact CA-O 3.47Å; G197-D205 PolarHBondContact N-O 2.88Å
198R85.1Confident90.6Very high195 Ų19552.2 Ų52.274%0.73628%0.276SS*.  trans-97.3-14.6-177.8-62.5-174.1-179.1-170-0.2114.6N136 V196N136-R198 PolarHBondContact OD1-N 2.72Å; V196-R198 PolarHBondContact O-N 3.35Å
199D84.1Confident90.7Very high36 Ų3652.1 Ų52.119%0.19328%0.276CS..SBendtrans-79.4151.2-179.5-52.6-22.8000110R140 G201 R202R140-D199 IonicContact CZ-OD1 3.97Å; R140-D199 IonicContact CZ-OD2 3.75Å; R140-D199 IonicContact NE-OD1 2.8Å; R140-D199 IonicContact NE-OD2 3.86Å; R140-D199 PolarHBondContact NE-OD2 2.88Å; R140-D199 IonicContact NH2-OD1 3.73Å; R140-D199 PolarHBondContact NH2-OD1 3.38Å; R140-D199 IonicContact NH2-OD2 3.24Å; R140-D199 PolarHBondContact NH2-OD2 2.96Å; D199-G201 PolarHBondContact O-N 2.78Å; D199-R202 PolarHBondContact O-N 2.81Å; D199-R202 IonicContact OD2-CZ 2.71Å; D199-R202 VanDerWaalsContact OD2-CZ 3.29Å; D199-R202 IonicContact OD2-NH1 3.65Å; D199-R202 PolarHBondContact OD2-NH1 2.84Å; D199-R202 IonicContact OD2-NH2 3.1Å; D199-R202 PolarHBondContact OD2-NH2 2.71Å
200S73.1Confident91Very high117 Ų11749 Ų4982%0.81826%0.257SS*.THydrogen-bonded Turntrans-53.8131.1177.239.80000111.6R202S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.02Å
201G76.8Confident91Very high66 Ų6651.3 Ų51.368%0.6826%0.256SS*.THydrogen-bonded Turntrans83.9-13-174.500000115.6D199D199-G201 PolarHBondContact O-N 2.78Å
202R81.9Confident90.7Very high20 Ų2052.4 Ų52.48%0.07526%0.262CS..  trans-106.812.5-178.8-57.1-151.5-120.783.616.4114.9S143 Y144 G197 D199 S200 R204 D205S143-R202 VanDerWaalsContact CB-CD 3.46Å; S143-R202 VanDerWaalsContact OG-CD 3.26Å; S143-R202 WeakPolarHBondContact OG-CD 3.46Å; Y144-R202 PolarHBondContact OH-NH2 3.19Å; G197-R202 VanDerWaalsContact CA-O 3.3Å; G197-R202 WeakPolarHBondContact CA-O 3.47Å; D199-R202 PolarHBondContact O-N 2.81Å; D199-R202 IonicContact OD2-CZ 2.71Å; D199-R202 VanDerWaalsContact OD2-CZ 3.29Å; D199-R202 IonicContact OD2-NH1 3.65Å; D199-R202 PolarHBondContact OD2-NH1 2.84Å; D199-R202 IonicContact OD2-NH2 3.1Å; D199-R202 PolarHBondContact OD2-NH2 2.71Å; S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.02Å; R202-R204 PolarHBondContact O-N 3.07Å; R202-D205 HydrophobicContact CB-CB 4.44Å; R202-D205 WeakPolarHBondContact CB-OD2 3.25Å; R202-D205 VanDerWaalsContact CD-OD2 3.31Å; R202-D205 WeakPolarHBondContact CD-OD2 3.36Å; R202-D205 WeakPolarHBondContact CG-OD2 3.43Å; R202-D205 PolarHBondContact O-N 2.82Å
203E86.4Confident90.2Very high131 Ų13154.5 Ų54.561%0.61227%0.274SS*.THydrogen-bonded Turntrans-59.9-10.7167.9-60.3176.7-147.900114.2A229E203-A229 WeakPolarHBondContact O-CB 3.22Å; E203-A229 PolarHBondContact O-N 2.94Å
204R93.4Very high89.6Confident115 Ų11560.5 Ų60.543%0.43430%0.304SS..THydrogen-bonded Turntrans-96.7-9.5175.5-66.5-179.9171.2-78.36.5113.1R202 C225 E226R202-R204 PolarHBondContact O-N 3.07Å; R204-C225 PolarHBondContact NH1-O 2.74Å; R204-C225 VanDerWaalsContact O-CB 3.25Å; R204-C225 WeakPolarHBondContact O-CB 3.4Å; R204-C225 PolarHBondContact O-N 3.17Å; R204-C225 PolarHBondContact O-SG 2.65Å; R204-E226 PolarHBondContact NH1-O 2.79Å
205D95.1Very high89Confident0 Ų059.9 Ų59.90%031%0.309CS..EExtended strand (participates in β ladder)trans-93.1114.2-178.5-59.7-34.3000109.4I139 S143 V196 G197 R202 F223 R224I139-D205 HydrophobicContact CG2-CB 3.6Å; S143-D205 PolarHBondContact OG-OD2 3.16Å; V196-D205 CarbonylContact C-O 3.51Å; V196-D205 WeakPolarHBondContact CA-O 3.39Å; G197-D205 PolarHBondContact N-O 2.88Å; R202-D205 HydrophobicContact CB-CB 4.44Å; R202-D205 WeakPolarHBondContact CB-OD2 3.25Å; R202-D205 VanDerWaalsContact CD-OD2 3.31Å; R202-D205 WeakPolarHBondContact CD-OD2 3.36Å; R202-D205 WeakPolarHBondContact CG-OD2 3.43Å; R202-D205 PolarHBondContact O-N 2.82Å; D205-F223 CarbonylContact C-O 3.58Å; D205-F223 WeakPolarHBondContact CA-O 3.43Å; D205-R224 VanDerWaalsContact CG-NH2 3.27Å; D205-R224 WeakPolarHBondContact OD1-CB 3.31Å; D205-R224 WeakPolarHBondContact OD1-CG 3.27Å; D205-R224 IonicContact OD1-CZ 2.65Å; D205-R224 VanDerWaalsContact OD1-CZ 3.31Å; D205-R224 IonicContact OD1-NE 3.57Å; D205-R224 PolarHBondContact OD1-NE 3.15Å; D205-R224 IonicContact OD1-NH2 3.9Å; D205-R224 PolarHBondContact OD1-NH2 2.86Å; D205-R224 VanDerWaalsContact OD1-NH2 3.07Å; D205-R224 IonicContact OD2-CZ 3.62Å; D205-R224 IonicContact OD2-NE 3.42Å; D205-R224 IonicContact OD2-NH2 3.63Å; D205-R224 PolarHBondContact OD2-NH2 2.98Å
206F97.1Very high88.6Confident0 Ų064.2 Ų64.20%032%0.324CS..EExtended strand (participates in β ladder)trans-98.1147.3174.9175.4-110.9000109.7L165 W194 G195 V196 Y208 V222 F223 A229 I232 L236L165-F206 HydrophobicContact CD1-CD1 4.16Å; L165-F206 HydrophobicContact CD1-CE1 4.17Å; W194-F206 HydrophobicContact CB-CE2 4.02Å; W194-F206 HydrophobicContact CB-CZ 4.07Å; W194-F206 HydrophobicContact CG-CE2 4.39Å; G195-F206 VanDerWaalsContact O-CD2 3.29Å; G195-F206 WeakPolarHBondContact O-CD2 3.22Å; V196-F206 HydrophobicContact CG2-CD2 4.4Å; F206-Y208 HydrophobicContact CE1-CD1 4.04Å; F206-V222 WeakPolarHBondContact O-CA 3.37Å; F206-F223 HydrophobicContact CD1-CD2 4.22Å; F206-F223 PolarHBondContact N-O 3.22Å; F206-F223 PolarHBondContact O-N 2.93Å; F206-A229 HydrophobicContact CB-CB 3.81Å; F206-I232 HydrophobicContact CB-CD1 4.4Å; F206-I232 HydrophobicContact CD1-CD1 4.39Å; F206-I232 HydrophobicContact CD1-CG2 4.11Å; F206-I232 HydrophobicContact CD2-CB 4.2Å; F206-I232 HydrophobicContact CD2-CG2 4.18Å; F206-I232 HydrophobicContact CE1-CG2 3.94Å; F206-I232 HydrophobicContact CE2-CB 4.42Å; F206-I232 HydrophobicContact CE2-CG2 4.03Å; F206-I232 HydrophobicContact CG-CB 4.35Å; F206-I232 HydrophobicContact CG-CD1 4.34Å; F206-I232 HydrophobicContact CG-CG2 4.24Å; F206-I232 HydrophobicContact CZ-CG2 3.93Å; F206-L236 HydrophobicContact CE1-CD1 4.36Å; F206-L236 HydrophobicContact CE2-CD1 3.95Å; F206-L236 HydrophobicContact CZ-CD1 3.41Å; F206-L236 VanDerWaalsContact CZ-CD1 3.41Å
207A97.4Very high88.4Confident0 Ų064.9 Ų64.90%033%0.326CS..EExtended strand (participates in β ladder)trans-142.2146.9172.300000112.3V135 I139 W194 G195 H221 V222V135-A207 HydrophobicContact CG1-CB 3.75Å; I139-A207 HydrophobicContact CD1-CB 3.81Å; I139-A207 HydrophobicContact CG1-CB 3.8Å; W194-A207 CarbonylContact C-O 3.57Å; W194-A207 WeakPolarHBondContact CA-O 3.31Å; W194-A207 WeakPolarHBondContact CB-O 3.45Å; G195-A207 PolarHBondContact N-O 3.44Å; G195-A207 PolarHBondContact O-N 2.93Å; A207-H221 VanDerWaalsContact CA-O 3.24Å; A207-H221 WeakPolarHBondContact CA-O 3.35Å; A207-V222 HydrophobicContact CB-CG2 3.95Å
208Y97.4Very high88.5Confident0 Ų065.1 Ų65.10%033%0.326CS..EExtended strand (participates in β ladder)trans-133.8148.5167.978-96.9000111.4L172 Q186 I191 V193 F206 A210 C220 H221 F223L172-Y208 HydrophobicContact CD1-CD1 3.89Å; L172-Y208 HydrophobicContact CD1-CE1 3.99Å; L172-Y208 HydrophobicContact CD1-CG 4.47Å; L172-Y208 HydrophobicContact CD2-CE1 4.04Å; Q186-Y208 HydrophobicContact CB-CE2 4.48Å; Q186-Y208 HydrophobicContact CG-CE2 3.88Å; I191-Y208 HydrophobicContact CD1-CD2 4.41Å; I191-Y208 HydrophobicContact CG1-CD2 4.29Å; I191-Y208 HydrophobicContact CG2-CD2 4.46Å; V193-Y208 WeakPolarHBondContact O-CA 3.46Å; F206-Y208 HydrophobicContact CE1-CD1 4.04Å; Y208-A210 HydrophobicContact CD2-CB 4.12Å; Y208-A210 HydrophobicContact CE2-CB 3.93Å; Y208-C220 WeakPolarHBondContact O-CA 3.3Å; Y208-H221 HydrophobicContact CD1-CB 4.36Å; Y208-H221 HydrophobicContact CE1-CB 4.01Å; Y208-H221 HydrophobicContact CE2-CB 4.48Å; Y208-H221 AromaticContact CE2-CD2 3.74Å; Y208-H221 AromaticContact CZ-CD2 3.85Å; Y208-H221 PolarHBondContact N-O 2.62Å; Y208-H221 PolarHBondContact O-N 3.06Å; Y208-F223 AromaticContact CD1-CE2 3.77Å; Y208-F223 HydrophobicContact CD1-CE2 3.77Å; Y208-F223 AromaticContact CE1-CE2 3.47Å; Y208-F223 HydrophobicContact CE1-CE2 3.47Å; Y208-F223 VanDerWaalsContact CE1-CE2 3.47Å; Y208-F223 AromaticContact CE1-CZ 3.9Å; Y208-F223 HydrophobicContact CE1-CZ 3.9Å
209V97.2Very high89Confident0 Ų056.5 Ų56.50%029%0.294CS..EExtended strand (participates in β ladder)trans-111.7125.6175.1-1680000109.5M121 L126 V135 R192 V193 L218 K219 C220M121-V209 HydrophobicContact CG-CG1 4.14Å; L126-V209 HydrophobicContact CD1-CG1 3.71Å; L126-V209 HydrophobicContact CD2-CB 4.37Å; L126-V209 HydrophobicContact CD2-CG1 4Å; L126-V209 HydrophobicContact CD2-CG2 4.11Å; L126-V209 HydrophobicContact CG-CG1 4.49Å; V135-V209 HydrophobicContact CG2-CG2 3.67Å; R192-V209 HydrophobicContact CB-CB 4.49Å; R192-V209 PolarHBondContact N-O 2.98Å; V193-V209 HydrophobicContact CB-CB 4.38Å; V193-V209 HydrophobicContact CB-CG2 4.24Å; V193-V209 PolarHBondContact O-N 3.46Å; V209-L218 HydrophobicContact CG1-CB 4.43Å; V209-K219 WeakPolarHBondContact CA-O 3.36Å; V209-C220 HydrophobicContact CG2-CB 3.95Å
210A95.6Very high89.6Confident3 Ų354.8 Ų54.83%0.02529%0.285CS..EExtended strand (participates in β ladder)trans-134.6167.3173.500000110.2Q186 Y208 L218 K219Q186-A210 HydrophobicContact CG-CB 4.24Å; Y208-A210 HydrophobicContact CD2-CB 4.12Å; Y208-A210 HydrophobicContact CE2-CB 3.93Å; A210-L218 WeakPolarHBondContact O-CA 3.31Å; A210-K219 PolarHBondContact N-O 3.12Å; A210-K219 VanDerWaalsContact N-O 3.15Å; A210-K219 PolarHBondContact O-N 2.85Å
211R92.1Very high90.7Very high113 Ų11349.9 Ų49.943%0.42625%0.249SC..EExtended strand (participates in β ladder)trans-94.1128.2171.2-171.5174.1-73.1-172.1-1.7110E123 Q216 M217 L218E123-R211 IonicContact OE2-NH2 2.71Å; R211-Q216 VanDerWaalsContact CD-O 3.23Å; R211-Q216 WeakPolarHBondContact CD-O 3.47Å; R211-Q216 VanDerWaalsContact CG-O 3.23Å; R211-Q216 WeakPolarHBondContact CG-O 3.32Å; R211-Q216 PolarHBondContact NE-O 2.81Å; R211-M217 WeakPolarHBondContact CA-O 3.35Å; R211-L218 HydrophobicContact CB-CD2 4.03Å
212D88.5Confident91.6Very high39 Ų3946.8 Ų46.821%0.20922%0.216CC..  trans-62.4131.8173.6-169.7-63.8000110.4L214 T215 Q216 M217 K219D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.71Å; D212-L214 WeakPolarHBondContact OD1-CA 3.31Å; D212-L214 PolarHBondContact OD1-N 2.91Å; D212-T215 WeakPolarHBondContact CB-OG1 3.24Å; D212-T215 PolarHBondContact OD1-N 2.94Å; D212-Q216 VanDerWaalsContact O-CA 3.25Å; D212-Q216 WeakPolarHBondContact O-CA 3.46Å; D212-Q216 PolarHBondContact O-N 2.81Å; D212-M217 PolarHBondContact N-O 3Å; D212-K219 HydrophobicContact CB-CD 4.27Å; D212-K219 WeakPolarHBondContact OD2-CE 3.33Å; D212-K219 IonicContact OD2-NZ 2.68Å; D212-K219 PolarHBondContact OD2-NZ 3.27Å
213K81.3Confident92.3Very high149 Ų14945.8 Ų45.865%0.64821%0.213SC*.THydrogen-bonded Turntrans-68.6-32.1-176.5-67.1177.5-177.41690112.6Q216K213-Q216 PolarHBondContact O-NE2 2.81Å; K213-Q216 VanDerWaalsContact O-NE2 3.1Å
214L82Confident92.6Very high154 Ų15443.9 Ų43.981%0.80620%0.2SC*.THydrogen-bonded Turntrans-91.7-49.2-175-60.2177.3000111.2D212D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.71Å; D212-L214 WeakPolarHBondContact OD1-CA 3.31Å; D212-L214 PolarHBondContact OD1-N 2.91Å
215T84.5Confident92.7Very high62 Ų6238.7 Ų38.738%0.3818%0.181SC..THydrogen-bonded Turntrans-91.1-11.4-174.970.30000114D212 M217D212-T215 WeakPolarHBondContact CB-OG1 3.24Å; D212-T215 PolarHBondContact OD1-N 2.94Å; T215-M217 VanDerWaalsContact CB-SD 3.55Å; T215-M217 HydrophobicContact CG2-SD 4.11Å; T215-M217 PolarHBondContact O-N 3.1Å; T215-M217 WeakPolarHBondContact OG1-CB 3.47Å; T215-M217 VanDerWaalsContact OG1-CG 3.24Å; T215-M217 WeakPolarHBondContact OG1-CG 3.43Å; T215-M217 PolarHBondContact OG1-N 3.26Å; T215-M217 PolarHBondContact OG1-SD 3.34Å
216Q86.7Confident92.6Very high108 Ų10846 Ų4651%0.50522%0.215SC..  trans58.55.1-172.9-61.1-65-53.900115.3R211 D212 K213R211-Q216 VanDerWaalsContact CD-O 3.23Å; R211-Q216 WeakPolarHBondContact CD-O 3.47Å; R211-Q216 VanDerWaalsContact CG-O 3.23Å; R211-Q216 WeakPolarHBondContact CG-O 3.32Å; R211-Q216 PolarHBondContact NE-O 2.81Å; D212-Q216 VanDerWaalsContact O-CA 3.25Å; D212-Q216 WeakPolarHBondContact O-CA 3.46Å; D212-Q216 PolarHBondContact O-N 2.81Å; K213-Q216 PolarHBondContact O-NE2 2.81Å; K213-Q216 VanDerWaalsContact O-NE2 3.1Å
217M89.7Confident92.4Very high51 Ų5147.5 Ų47.525%0.25123%0.228SC..  trans-66.5146.9173-58.8159.183.600110.3W118 E120 R211 D212 T215W118-M217 HydrophobicContact CH2-CE 4.39Å; W118-M217 HydrophobicContact CZ3-CE 4.42Å; E120-M217 HydrophobicContact CB-CE 4.4Å; E120-M217 HydrophobicContact CG-CE 4.12Å; E120-M217 WeakPolarHBondContact OE1-CE 3.34Å; E120-M217 WeakPolarHBondContact OE2-CE 3.46Å; R211-M217 WeakPolarHBondContact CA-O 3.35Å; D212-M217 PolarHBondContact N-O 3Å; T215-M217 VanDerWaalsContact CB-SD 3.55Å; T215-M217 HydrophobicContact CG2-SD 4.11Å; T215-M217 PolarHBondContact O-N 3.1Å; T215-M217 WeakPolarHBondContact OG1-CB 3.47Å; T215-M217 VanDerWaalsContact OG1-CG 3.24Å; T215-M217 WeakPolarHBondContact OG1-CG 3.43Å; T215-M217 PolarHBondContact OG1-N 3.26Å; T215-M217 PolarHBondContact OG1-SD 3.34Å
218L93.9Very high92.2Very high8 Ų849.8 Ų49.84%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-85.9125.6167.7-66.2157.2000108.2E120 M121 E123 L126 R192 V209 A210 R211E120-L218 WeakPolarHBondContact CA-O 3.12Å; M121-L218 HydrophobicContact CB-CB 4.04Å; M121-L218 PolarHBondContact N-O 2.97Å; M121-L218 WeakPolarHBondContact O-CB 3.19Å; E123-L218 HydrophobicContact CB-CD1 4.35Å; L126-L218 HydrophobicContact CD1-CB 4.42Å; L126-L218 HydrophobicContact CD1-CD1 3.76Å; L126-L218 HydrophobicContact CD1-CD2 3.92Å; L126-L218 HydrophobicContact CD1-CG 4.25Å; R192-L218 HydrophobicContact CG-CD2 4.1Å; V209-L218 HydrophobicContact CG1-CB 4.43Å; A210-L218 WeakPolarHBondContact O-CA 3.31Å; R211-L218 HydrophobicContact CB-CD2 4.03Å
219K95.3Very high92Very high15 Ų1549.8 Ų49.87%0.06524%0.243CC..EExtended strand (participates in β ladder)trans-118.8123.9-178.7-66.2-178176.1172.10110W118 V119 V209 A210 D212 H221W118-K219 HydrophobicContact CD2-CD 4Å; W118-K219 HydrophobicContact CD2-CG 4.31Å; W118-K219 HydrophobicContact CE3-CB 4.16Å; W118-K219 HydrophobicContact CE3-CD 3.77Å; W118-K219 HydrophobicContact CE3-CG 3.65Å; W118-K219 HydrophobicContact CH2-CD 4.43Å; W118-K219 HydrophobicContact CZ3-CD 4.01Å; W118-K219 HydrophobicContact CZ3-CG 3.92Å; V119-K219 WeakPolarHBondContact O-CA 3.25Å; V209-K219 WeakPolarHBondContact CA-O 3.36Å; A210-K219 PolarHBondContact N-O 3.12Å; A210-K219 VanDerWaalsContact N-O 3.15Å; A210-K219 PolarHBondContact O-N 2.85Å; D212-K219 HydrophobicContact CB-CD 4.27Å; D212-K219 WeakPolarHBondContact OD2-CE 3.33Å; D212-K219 IonicContact OD2-NZ 2.68Å; D212-K219 PolarHBondContact OD2-NZ 3.27Å; K219-H221 VanDerWaalsContact CB-NE2 3.28Å; K219-H221 WeakPolarHBondContact CB-NE2 3.48Å
220C96.6Very high91.9Very high0 Ų056 Ų560%027%0.27CS..EExtended strand (participates in β ladder)trans-89.1104168.8-172.60000108.5W118 V119 M121 C138 Y208 V209W118-C220 CarbonylContact C-O 3.49Å; W118-C220 WeakPolarHBondContact CA-O 3.28Å; V119-C220 PolarHBondContact N-O 3.22Å; V119-C220 PolarHBondContact O-N 2.8Å; M121-C220 HydrophobicContact CG-CB 3.66Å; M121-C220 HydrophobicContact SD-CB 3.54Å; M121-C220 VanDerWaalsContact SD-CB 3.54Å; C138-C220 HydrophobicContact CB-CB 4.23Å; C138-C220 VanDerWaalsContact CB-SG 3.53Å; C138-C220 VanDerWaalsContact SG-SG 3.62Å; Y208-C220 WeakPolarHBondContact O-CA 3.3Å; V209-C220 HydrophobicContact CG2-CB 3.95Å
221H95.8Very high91.8Very high14 Ų1459 Ų597%0.06529%0.285CS..EExtended strand (participates in β ladder)trans-91.2130178-61.7-77.9000109.6W118 W157 A207 Y208 K219 F223W118-H221 WeakPolarHBondContact CB-ND1 3.41Å; W157-H221 AromaticContact CH2-CE1 3.39Å; W157-H221 WeakPolarHBondContact CH2-CE1 3.39Å; W157-H221 AromaticContact CH2-ND1 3.47Å; W157-H221 WeakPolarHBondContact CH2-ND1 3.44Å; W157-H221 AromaticContact CH2-NE2 3.96Å; W157-H221 AromaticContact CZ3-CE1 3.88Å; W157-H221 AromaticContact CZ3-ND1 3.46Å; W157-H221 WeakPolarHBondContact CZ3-ND1 3.31Å; A207-H221 VanDerWaalsContact CA-O 3.24Å; A207-H221 WeakPolarHBondContact CA-O 3.35Å; Y208-H221 HydrophobicContact CD1-CB 4.36Å; Y208-H221 HydrophobicContact CE1-CB 4.01Å; Y208-H221 HydrophobicContact CE2-CB 4.48Å; Y208-H221 AromaticContact CE2-CD2 3.74Å; Y208-H221 AromaticContact CZ-CD2 3.85Å; Y208-H221 PolarHBondContact N-O 2.62Å; Y208-H221 PolarHBondContact O-N 3.06Å; K219-H221 VanDerWaalsContact CB-NE2 3.28Å; K219-H221 WeakPolarHBondContact CB-NE2 3.48Å; H221-F223 HydrophobicContact CB-CE2 3.57Å; H221-F223 HydrophobicContact CB-CZ 3.89Å
222V95.9Very high91.9Very high0 Ų053.7 Ų53.70%027%0.265CS..EExtended strand (participates in β ladder)trans-119.2138.5-174.7-175.50000110.7L116 G117 C138 I139 L142 F206 A207L116-V222 HydrophobicContact CB-CB 4.3Å; L116-V222 HydrophobicContact CB-CG1 4.28Å; L116-V222 HydrophobicContact CD1-CG1 3.99Å; L116-V222 HydrophobicContact CG-CG1 4.46Å; L116-V222 PolarHBondContact N-O 3.43Å; G117-V222 PolarHBondContact O-N 2.85Å; G117-V222 VanDerWaalsContact O-N 3.16Å; C138-V222 HydrophobicContact CB-CG2 4.28Å; I139-V222 HydrophobicContact CG1-CG1 4Å; I139-V222 HydrophobicContact CG1-CG2 4.32Å; L142-V222 HydrophobicContact CB-CB 4.47Å; L142-V222 HydrophobicContact CD1-CB 3.93Å; L142-V222 HydrophobicContact CD1-CG2 3.75Å; F206-V222 WeakPolarHBondContact O-CA 3.37Å; A207-V222 HydrophobicContact CB-CG2 3.95Å
223F95.9Very high92.2Very high0 Ų052.6 Ų52.60%026%0.262CS..EExtended strand (participates in β ladder)trans-138.4132-173.8-55.6-91.9000111.4V113 R114 W157 L163 L174 D205 F206 Y208 H221V113-F223 HydrophobicContact CB-CB 4.09Å; V113-F223 HydrophobicContact CG2-CB 4.2Å; V113-F223 HydrophobicContact CG2-CD1 3.88Å; V113-F223 HydrophobicContact CG2-CG 4.34Å; R114-F223 CarbonylContact O-C 3.58Å; R114-F223 VanDerWaalsContact O-CA 3.31Å; R114-F223 WeakPolarHBondContact O-CA 3.44Å; W157-F223 HydrophobicContact CZ3-CZ 4.3Å; L163-F223 HydrophobicContact CD1-CE1 4.2Å; L174-F223 HydrophobicContact CD1-CE1 3.89Å; L174-F223 HydrophobicContact CD1-CZ 3.86Å; L174-F223 HydrophobicContact CD2-CE1 4.06Å; L174-F223 HydrophobicContact CD2-CZ 4.27Å; D205-F223 CarbonylContact C-O 3.58Å; D205-F223 WeakPolarHBondContact CA-O 3.43Å; F206-F223 HydrophobicContact CD1-CD2 4.22Å; F206-F223 PolarHBondContact N-O 3.22Å; F206-F223 PolarHBondContact O-N 2.93Å; Y208-F223 AromaticContact CD1-CE2 3.77Å; Y208-F223 HydrophobicContact CD1-CE2 3.77Å; Y208-F223 AromaticContact CE1-CE2 3.47Å; Y208-F223 HydrophobicContact CE1-CE2 3.47Å; Y208-F223 VanDerWaalsContact CE1-CE2 3.47Å; Y208-F223 AromaticContact CE1-CZ 3.9Å; Y208-F223 HydrophobicContact CE1-CZ 3.9Å; H221-F223 HydrophobicContact CB-CE2 3.57Å; H221-F223 HydrophobicContact CB-CZ 3.89Å
224R94.3Very high92.8Very high90 Ų9049 Ų4934%0.3425%0.253SS..EExtended strand (participates in β ladder)trans-91.7124.4173.3-177.6155.2-70.1139.25.6110.3V113 R114 L116 S143 D205V113-R224 CarbonylContact C-O 3.57Å; V113-R224 VanDerWaalsContact CA-O 3.28Å; V113-R224 WeakPolarHBondContact CA-O 3.32Å; R114-R224 PolarHBondContact N-O 2.91Å; R114-R224 PolarHBondContact O-N 3.16Å; L116-R224 HydrophobicContact CD1-CB 4.23Å; L116-R224 HydrophobicContact CD2-CB 4.06Å; L116-R224 HydrophobicContact CG-CB 4.23Å; S143-R224 PolarHBondContact OG-NH2 2.9Å; D205-R224 VanDerWaalsContact CG-NH2 3.27Å; D205-R224 WeakPolarHBondContact OD1-CB 3.31Å; D205-R224 WeakPolarHBondContact OD1-CG 3.27Å; D205-R224 IonicContact OD1-CZ 2.65Å; D205-R224 VanDerWaalsContact OD1-CZ 3.31Å; D205-R224 IonicContact OD1-NE 3.57Å; D205-R224 PolarHBondContact OD1-NE 3.15Å; D205-R224 IonicContact OD1-NH2 3.9Å; D205-R224 PolarHBondContact OD1-NH2 2.86Å; D205-R224 VanDerWaalsContact OD1-NH2 3.07Å; D205-R224 IonicContact OD2-CZ 3.62Å; D205-R224 IonicContact OD2-NE 3.42Å; D205-R224 IonicContact OD2-NH2 3.63Å; D205-R224 PolarHBondContact OD2-NH2 2.98Å
225C94.9Very high93.4Very high6 Ų642.2 Ų42.24%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-105.6138.2-168-52.40000112.6V113 R204 A227 I232V113-C225 HydrophobicContact CG1-CB 4.21Å; R204-C225 PolarHBondContact NH1-O 2.74Å; R204-C225 VanDerWaalsContact O-CB 3.25Å; R204-C225 WeakPolarHBondContact O-CB 3.4Å; R204-C225 PolarHBondContact O-N 3.17Å; R204-C225 PolarHBondContact O-SG 2.65Å; C225-A227 VanDerWaalsContact C-N 3.27Å; C225-A227 CarbonylContact C-O 3.55Å; C225-A227 WeakPolarHBondContact CB-O 3.47Å; C225-A227 PolarHBondContact O-N 2.95Å; C225-I232 VanDerWaalsContact SG-CD1 3.55Å
226E93.2Very high93.8Very high153 Ų15339.2 Ų39.272%0.71520%0.2SC*.SBendtrans-69.8-26.7173.1-64.2-167.8158.400112.6A112 R204A112-E226 HydrophobicContact CB-CB 4.27Å; A112-E226 HydrophobicContact CB-CG 3.96Å; A112-E226 VanDerWaalsContact CB-OE2 3.24Å; A112-E226 WeakPolarHBondContact CB-OE2 3.43Å; A112-E226 PolarHBondContact O-N 2.85Å; A112-E226 VanDerWaalsContact O-N 3.12Å; R204-E226 PolarHBondContact NH1-O 2.79Å
227A92.1Very high94.1Very high33 Ų3339.4 Ų39.427%0.27320%0.2SC..SBendtrans-96.4163.3166.600000111C225 A229C225-A227 VanDerWaalsContact C-N 3.27Å; C225-A227 CarbonylContact C-O 3.55Å; C225-A227 WeakPolarHBondContact CB-O 3.47Å; C225-A227 PolarHBondContact O-N 2.95Å; A227-A229 PolarHBondContact O-N 2.8Å
228P93.1Very high94.2Very high47 Ų4741.5 Ų41.531%0.30521%0.209SC..  trans-56.4127.2170.2-26.236.7000111.7K230 N231P228-K230 HydrophobicContact CB-CD 4.35Å; P228-K230 HydrophobicContact CB-CG 3.99Å; P228-K230 PolarHBondContact O-N 3.28Å; P228-K230 VanDerWaalsContact O-N 3.08Å; P228-N231 WeakPolarHBondContact O-CB 3.41Å; P228-N231 PolarHBondContact O-N 3.47Å
229A94.4Very high94.1Very high0 Ų042.6 Ų42.60%022%0.215CC..THydrogen-bonded Turntrans-64.2-20.6-172.500000113.5V196 E203 F206 A227 N231 I232 A233V196-A229 HydrophobicContact CB-CB 4.47Å; V196-A229 HydrophobicContact CG1-CB 3.79Å; V196-A229 HydrophobicContact CG2-CB 4.01Å; E203-A229 WeakPolarHBondContact O-CB 3.22Å; E203-A229 PolarHBondContact O-N 2.94Å; F206-A229 HydrophobicContact CB-CB 3.81Å; A227-A229 PolarHBondContact O-N 2.8Å; A229-N231 PolarHBondContact O-N 3.12Å; A229-N231 VanDerWaalsContact O-N 3.15Å; A229-I232 PolarHBondContact O-N 3.36Å; A229-I232 VanDerWaalsContact O-N 3.08Å; A229-A233 PolarHBondContact O-N 2.68Å
230K93.4Very high93.8Very high131 Ų13142.9 Ų42.957%0.5722%0.219SC*.Hα-helixtrans-51.8-32.2168.372.4-173.7-177.5-174.90112.7P228 I232 A233 T234P228-K230 HydrophobicContact CB-CD 4.35Å; P228-K230 HydrophobicContact CB-CG 3.99Å; P228-K230 PolarHBondContact O-N 3.28Å; P228-K230 VanDerWaalsContact O-N 3.08Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 3.33Å; K230-A233 PolarHBondContact O-N 3.33Å; K230-T234 WeakPolarHBondContact O-CB 3.37Å; K230-T234 PolarHBondContact O-N 3.04Å; K230-T234 PolarHBondContact O-OG1 3.48Å; K230-T234 VanDerWaalsContact O-OG1 3.06Å
231N93.9Very high93.4Very high65 Ų6545.6 Ų45.635%0.34824%0.238SC..Hα-helixtrans-65.3-36.5-179.6-62.26.6000111.7F111 P228 A229 S235F111-N231 HydrophobicContact CE1-CB 4.01Å; P228-N231 WeakPolarHBondContact O-CB 3.41Å; P228-N231 PolarHBondContact O-N 3.47Å; A229-N231 PolarHBondContact O-N 3.12Å; A229-N231 VanDerWaalsContact O-N 3.15Å; N231-S235 VanDerWaalsContact O-CB 3.27Å; N231-S235 WeakPolarHBondContact O-CB 3.41Å; N231-S235 PolarHBondContact O-N 3Å; N231-S235 VanDerWaalsContact O-N 3.12Å; N231-S235 PolarHBondContact O-OG 2.89Å
232I95.1Very high93.1Very high2 Ų250.5 Ų50.51%0.0126%0.259CS..Hα-helixtrans-71.1-47.5174.7-51.1-173.5000109.6F111 V113 L165 F206 C225 A229 K230 T234 S235 L236F111-I232 HydrophobicContact CB-CD1 3.9Å; F111-I232 HydrophobicContact CB-CG1 4.18Å; F111-I232 HydrophobicContact CD1-CD1 4.41Å; F111-I232 HydrophobicContact CD1-CG1 3.77Å; F111-I232 HydrophobicContact CD2-CD1 4.29Å; F111-I232 HydrophobicContact CD2-CG1 3.89Å; F111-I232 HydrophobicContact CE1-CG1 4.07Å; F111-I232 HydrophobicContact CE2-CG1 4.18Å; F111-I232 HydrophobicContact CG-CD1 3.96Å; F111-I232 HydrophobicContact CG-CG1 3.67Å; F111-I232 HydrophobicContact CZ-CG1 4.26Å; V113-I232 HydrophobicContact CG1-CD1 3.98Å; L165-I232 HydrophobicContact CD1-CD1 4.33Å; L165-I232 HydrophobicContact CD2-CG2 4Å; F206-I232 HydrophobicContact CB-CD1 4.4Å; F206-I232 HydrophobicContact CD1-CD1 4.39Å; F206-I232 HydrophobicContact CD1-CG2 4.11Å; F206-I232 HydrophobicContact CD2-CB 4.2Å; F206-I232 HydrophobicContact CD2-CG2 4.18Å; F206-I232 HydrophobicContact CE1-CG2 3.94Å; F206-I232 HydrophobicContact CE2-CB 4.42Å; F206-I232 HydrophobicContact CE2-CG2 4.03Å; F206-I232 HydrophobicContact CG-CB 4.35Å; F206-I232 HydrophobicContact CG-CD1 4.34Å; F206-I232 HydrophobicContact CG-CG2 4.24Å; F206-I232 HydrophobicContact CZ-CG2 3.93Å; C225-I232 VanDerWaalsContact SG-CD1 3.55Å; A229-I232 PolarHBondContact O-N 3.36Å; A229-I232 VanDerWaalsContact O-N 3.08Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 3.33Å; I232-T234 PolarHBondContact O-N 3.08Å; I232-S235 PolarHBondContact O-N 3.3Å; I232-S235 VanDerWaalsContact O-N 3.14Å; I232-L236 HydrophobicContact CG2-CD1 4.2Å; I232-L236 PolarHBondContact O-N 2.83Å
233A94.3Very high92.6Very high17 Ų1750.9 Ų50.914%0.1426%0.261CS..Hα-helixtrans-62.7-40.1-179.300000113.2W194 V196 A229 K230 H237W194-A233 PolarHBondContact NE1-O 2.74Å; V196-A233 HydrophobicContact CG2-CB 3.76Å; A229-A233 PolarHBondContact O-N 2.68Å; K230-A233 PolarHBondContact O-N 3.33Å; A233-H237 WeakPolarHBondContact O-CB 3.11Å; A233-H237 PolarHBondContact O-N 3.41Å
234T93.1Very high92Very high74 Ų7456.5 Ų56.545%0.45429%0.288SS..Hα-helixtrans-66.2-40.9172.4-60.20000111K230 I232 H237 E238K230-T234 WeakPolarHBondContact O-CB 3.37Å; K230-T234 PolarHBondContact O-N 3.04Å; K230-T234 PolarHBondContact O-OG1 3.48Å; K230-T234 VanDerWaalsContact O-OG1 3.06Å; I232-T234 PolarHBondContact O-N 3.08Å; T234-H237 CarbonylContact O-C 3.43Å; T234-H237 WeakPolarHBondContact O-CB 3.32Å; T234-H237 PolarHBondContact O-N 3.01Å; T234-H237 VanDerWaalsContact O-N 3.14Å; T234-E238 WeakPolarHBondContact O-CG 3.44Å; T234-E238 PolarHBondContact O-N 3.31Å
235S94.6Very high91.2Very high10 Ų1054.4 Ų54.47%0.0729%0.288CS..Hα-helixtrans-67.3-38.2178.6-63.50000113.2K109 N231 I232 E238 I239K109-S235 VanDerWaalsContact CD-OG 3.3Å; K109-S235 WeakPolarHBondContact CD-OG 3.3Å; K109-S235 PolarHBondContact NZ-OG 2.94Å; K109-S235 VanDerWaalsContact NZ-OG 3.09Å; N231-S235 VanDerWaalsContact O-CB 3.27Å; N231-S235 WeakPolarHBondContact O-CB 3.41Å; N231-S235 PolarHBondContact O-N 3Å; N231-S235 VanDerWaalsContact O-N 3.12Å; N231-S235 PolarHBondContact O-OG 2.89Å; I232-S235 PolarHBondContact O-N 3.3Å; I232-S235 VanDerWaalsContact O-N 3.14Å; S235-E238 PolarHBondContact O-N 3.4Å; S235-I239 VanDerWaalsContact O-CG1 3.31Å; S235-I239 WeakPolarHBondContact O-CG1 3.38Å; S235-I239 PolarHBondContact O-N 2.91Å
236L94.4Very high90.3Very high0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-64.9-38.5169.3-76.1171.7000111.7L167 I188 I191 W194 F206 I232 I239 C240L167-L236 HydrophobicContact CD1-CD2 4.07Å; L167-L236 HydrophobicContact CD1-CG 4Å; L167-L236 HydrophobicContact CD2-CD2 3.64Å; L167-L236 HydrophobicContact CD2-CG 4.25Å; I188-L236 HydrophobicContact CD1-CD2 3.75Å; I188-L236 HydrophobicContact CG1-CD2 3.82Å; I188-L236 HydrophobicContact CG2-CD2 4.08Å; I191-L236 HydrophobicContact CD1-CD2 4.49Å; W194-L236 HydrophobicContact CD2-CB 4.4Å; W194-L236 HydrophobicContact CD2-CD1 4.4Å; W194-L236 HydrophobicContact CG-CD1 4.23Å; W194-L236 HydrophobicContact CZ2-CB 4.21Å; F206-L236 HydrophobicContact CE1-CD1 4.36Å; F206-L236 HydrophobicContact CE2-CD1 3.95Å; F206-L236 HydrophobicContact CZ-CD1 3.41Å; F206-L236 VanDerWaalsContact CZ-CD1 3.41Å; I232-L236 HydrophobicContact CG2-CD1 4.2Å; I232-L236 PolarHBondContact O-N 2.83Å; L236-I239 PolarHBondContact O-N 3.5Å; L236-C240 VanDerWaalsContact O-CB 3.29Å; L236-C240 WeakPolarHBondContact O-CB 3.26Å; L236-C240 PolarHBondContact O-N 3.1Å; L236-C240 PolarHBondContact O-SG 3.35Å
237H92Very high89.2Confident111 Ų11156.4 Ų56.451%0.51429%0.291SS..Hα-helixtrans-65.4-42.7175.2-175.480.4000112.3W194 A233 T234 C240 S241W194-H237 HydrophobicContact CZ2-CB 4.21Å; A233-H237 WeakPolarHBondContact O-CB 3.11Å; A233-H237 PolarHBondContact O-N 3.41Å; T234-H237 CarbonylContact O-C 3.43Å; T234-H237 WeakPolarHBondContact O-CB 3.32Å; T234-H237 PolarHBondContact O-N 3.01Å; T234-H237 VanDerWaalsContact O-N 3.14Å; H237-C240 PolarHBondContact O-N 3.44Å; H237-S241 WeakPolarHBondContact O-CB 3.48Å; H237-S241 PolarHBondContact O-N 2.99Å
238E91.8Very high88Confident96 Ų9663 Ų6345%0.44931%0.309SS..Hα-helixtrans-58.6-46.8172.6-75168.8-132.400111.6K109 T234 S235 S241 K242K109-E238 VanDerWaalsContact NZ-CD 3.27Å; K109-E238 IonicContact NZ-OE1 3.29Å; K109-E238 PolarHBondContact NZ-OE1 3.2Å; K109-E238 IonicContact NZ-OE2 3.04Å; K109-E238 PolarHBondContact NZ-OE2 3.24Å; T234-E238 WeakPolarHBondContact O-CG 3.44Å; T234-E238 PolarHBondContact O-N 3.31Å; S235-E238 PolarHBondContact O-N 3.4Å; E238-S241 PolarHBondContact O-N 3.35Å; E238-K242 WeakPolarHBondContact O-CB 3.26Å; E238-K242 PolarHBondContact O-N 2.99Å
239I92.1Very high86Confident30 Ų3065.6 Ų65.615%0.15432%0.32CS..Hα-helixtrans-67-43.1179-66.3164.2000110.7L167 I188 S235 L236 S241 K242 I243L167-I239 HydrophobicContact CB-CD1 3.67Å; L167-I239 HydrophobicContact CD1-CD1 4.09Å; L167-I239 HydrophobicContact CG-CD1 4.45Å; I188-I239 HydrophobicContact CD1-CB 4.33Å; I188-I239 HydrophobicContact CD1-CD1 4.13Å; I188-I239 HydrophobicContact CD1-CG2 3.69Å; S235-I239 VanDerWaalsContact O-CG1 3.31Å; S235-I239 WeakPolarHBondContact O-CG1 3.38Å; S235-I239 PolarHBondContact O-N 2.91Å; L236-I239 PolarHBondContact O-N 3.5Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.32Å; I239-K242 WeakPolarHBondContact O-CB 3.23Å; I239-K242 PolarHBondContact O-N 3.12Å; I239-I243 HydrophobicContact CG2-CD1 3.75Å; I239-I243 HydrophobicContact CG2-CG1 4.32Å; I239-I243 WeakPolarHBondContact O-CB 3.42Å; I239-I243 WeakPolarHBondContact O-CD1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.41Å; I239-I243 PolarHBondContact O-N 2.79Å
240C88.4Confident84Confident22 Ų2268.6 Ų68.615%0.14935%0.345CS..Hα-helixtrans-60.3-39.5172.6-74.90000112.4I188 W194 L236 H237 I243 M244I188-C240 WeakPolarHBondContact CG2-SG 3.44Å; W194-C240 HydrophobicContact CH2-CB 4.12Å; W194-C240 VanDerWaalsContact CH2-SG 3.5Å; L236-C240 VanDerWaalsContact O-CB 3.29Å; L236-C240 WeakPolarHBondContact O-CB 3.26Å; L236-C240 PolarHBondContact O-N 3.1Å; L236-C240 PolarHBondContact O-SG 3.35Å; H237-C240 PolarHBondContact O-N 3.44Å; C240-I243 PolarHBondContact O-N 3.43Å; C240-M244 HydrophobicContact CB-CE 4.48Å; C240-M244 WeakPolarHBondContact O-CB 3.23Å; C240-M244 WeakPolarHBondContact O-CE 3.48Å; C240-M244 VanDerWaalsContact O-CG 3.28Å; C240-M244 WeakPolarHBondContact O-CG 3.47Å; C240-M244 PolarHBondContact O-N 2.85Å
241S89.5Confident81.6Confident57 Ų5766.5 Ų66.540%0.39933%0.334SS..Hα-helixtrans-67.2-40.7175.5-1700000111.7H237 E238 I239 M244 S245H237-S241 WeakPolarHBondContact O-CB 3.48Å; H237-S241 PolarHBondContact O-N 2.99Å; E238-S241 PolarHBondContact O-N 3.35Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.32Å; S241-M244 PolarHBondContact O-N 2.88Å; S241-S245 VanDerWaalsContact O-CB 3.31Å; S241-S245 WeakPolarHBondContact O-CB 3.47Å; S241-S245 PolarHBondContact O-N 2.8Å; S241-S245 PolarHBondContact O-OG 2.93Å; S241-S245 VanDerWaalsContact O-OG 3.09Å
242K88.2Confident79.1Confident116 Ų11668.1 Ų68.150%0.50435%0.349SS..Hα-helixtrans-58.9-53.7170.8-175.3-176.5170.8-170.60110.4E238 I239 M244 S245 E246E238-K242 WeakPolarHBondContact O-CB 3.26Å; E238-K242 PolarHBondContact O-N 2.99Å; I239-K242 WeakPolarHBondContact O-CB 3.23Å; I239-K242 PolarHBondContact O-N 3.12Å; K242-M244 VanDerWaalsContact C-N 3.31Å; K242-M244 PolarHBondContact O-N 3.35Å; K242-S245 WeakPolarHBondContact CA-OG 3.2Å; K242-S245 CarbonylContact O-C 3.47Å; K242-S245 PolarHBondContact O-N 2.88Å; K242-S245 PolarHBondContact O-OG 3.1Å; K242-E246 WeakPolarHBondContact CE-OE1 3.4Å; K242-E246 WeakPolarHBondContact CE-OE2 3.44Å; K242-E246 HydrophobicContact CG-CG 4.25Å; K242-E246 IonicContact NZ-OE1 2.95Å; K242-E246 IonicContact NZ-OE2 2.66Å; K242-E246 PolarHBondContact O-N 3.13Å
243I85.7Confident76.6Confident8 Ų875.7 Ų75.74%0.04139%0.389CS..Hα-helixtrans-53.4-46.8176-68.5164.1000111.3E170 I188 V189 I239 C240 S245 R247E170-I243 HydrophobicContact CB-CD1 4.01Å; E170-I243 HydrophobicContact CB-CG1 4.49Å; E170-I243 VanDerWaalsContact CD-CG1 3.48Å; E170-I243 HydrophobicContact CG-CD1 3.92Å; E170-I243 HydrophobicContact CG-CG1 3.85Å; I188-I243 HydrophobicContact CG2-CD1 4.44Å; V189-I243 HydrophobicContact CG1-CD1 3.94Å; V189-I243 HydrophobicContact CG1-CG2 4.1Å; I239-I243 HydrophobicContact CG2-CD1 3.75Å; I239-I243 HydrophobicContact CG2-CG1 4.32Å; I239-I243 WeakPolarHBondContact O-CB 3.42Å; I239-I243 WeakPolarHBondContact O-CD1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.41Å; I239-I243 PolarHBondContact O-N 2.79Å; C240-I243 PolarHBondContact O-N 3.43Å; I243-S245 PolarHBondContact O-N 2.82Å; I243-R247 WeakPolarHBondContact O-CB 3.36Å; I243-R247 WeakPolarHBondContact O-CD 3.48Å; I243-R247 WeakPolarHBondContact O-CG 3.44Å; I243-R247 PolarHBondContact O-N 3.34Å
244M82.9Confident74Confident118 Ų11880.7 Ų80.758%0.58142%0.417SS*.Hα-helixtrans-66.8-34.4178.1-73.7-174.2-7000112.9C240 S241 K242 R248C240-M244 HydrophobicContact CB-CE 4.48Å; C240-M244 WeakPolarHBondContact O-CB 3.23Å; C240-M244 WeakPolarHBondContact O-CE 3.48Å; C240-M244 VanDerWaalsContact O-CG 3.28Å; C240-M244 WeakPolarHBondContact O-CG 3.47Å; C240-M244 PolarHBondContact O-N 2.85Å; S241-M244 PolarHBondContact O-N 2.88Å; K242-M244 VanDerWaalsContact C-N 3.31Å; K242-M244 PolarHBondContact O-N 3.35Å; M244-R248 WeakPolarHBondContact O-CB 3.24Å; M244-R248 PolarHBondContact O-N 3.4Å; M244-R248 VanDerWaalsContact O-N 3.16Å
245S78.3Confident71.4Confident47 Ų4783.8 Ų83.833%0.32943%0.431SS..Hα-helixtrans-81-36.5179.569.40000113.1S241 K242 I243 R248 N249S241-S245 VanDerWaalsContact O-CB 3.31Å; S241-S245 WeakPolarHBondContact O-CB 3.47Å; S241-S245 PolarHBondContact O-N 2.8Å; S241-S245 PolarHBondContact O-OG 2.93Å; S241-S245 VanDerWaalsContact O-OG 3.09Å; K242-S245 WeakPolarHBondContact CA-OG 3.2Å; K242-S245 CarbonylContact O-C 3.47Å; K242-S245 PolarHBondContact O-N 2.88Å; K242-S245 PolarHBondContact O-OG 3.1Å; I243-S245 PolarHBondContact O-N 2.82Å; S245-R248 CarbonylContact O-C 3.44Å; S245-R248 WeakPolarHBondContact O-CA 3.45Å; S245-R248 VanDerWaalsContact O-CB 3.3Å; S245-R248 WeakPolarHBondContact O-CB 3.24Å; S245-R248 PolarHBondContact O-N 2.95Å; S245-N249 WeakPolarHBondContact O-CB 3.44Å; S245-N249 PolarHBondContact O-N 3.1Å; S245-N249 PolarHBondContact O-OD1 3.22Å
246E76.6Confident68.6Low84 Ų8486.4 Ų86.439%0.39346%0.46SS..Hα-helixtrans-70.3-40.4172.8-72.3178.315200110.9K242 R248 N249 A250K242-E246 WeakPolarHBondContact CE-OE1 3.4Å; K242-E246 WeakPolarHBondContact CE-OE2 3.44Å; K242-E246 HydrophobicContact CG-CG 4.25Å; K242-E246 IonicContact NZ-OE1 2.95Å; K242-E246 IonicContact NZ-OE2 2.66Å; K242-E246 PolarHBondContact O-N 3.13Å; E246-R248 PolarHBondContact O-N 2.97Å; E246-R248 VanDerWaalsContact O-N 3.16Å; E246-N249 PolarHBondContact O-N 3.04Å; E246-N249 VanDerWaalsContact O-N 3.15Å; E246-A250 VanDerWaalsContact O-CB 3.28Å; E246-A250 WeakPolarHBondContact O-CB 3.22Å; E246-A250 PolarHBondContact O-N 3.42Å
247R69.8Low65.8Low116 Ų11694.4 Ų94.444%0.43850%0.502SS..Hα-helixtrans-59.3-23.7165.7-71.5171.7-175-167.11.2112.5V189 I243 R251V189-R247 VanDerWaalsContact CG1-NH2 3.3Å; I243-R247 WeakPolarHBondContact O-CB 3.36Å; I243-R247 WeakPolarHBondContact O-CD 3.48Å; I243-R247 WeakPolarHBondContact O-CG 3.44Å; I243-R247 PolarHBondContact O-N 3.34Å; R247-R251 PolarHBondContact O-NE 2.73Å; R247-R251 PolarHBondContact O-NH2 2.92Å; R247-R251 VanDerWaalsContact O-NH2 3.14Å
248R65.4Low63.5Low172 Ų17294.8 Ų94.865%0.64952%0.517SS*.Hα-helixtrans-85.5-33.3174.7-178.4-179.4178.5169.6-0.2112.6M244 S245 E246 R251M244-R248 WeakPolarHBondContact O-CB 3.24Å; M244-R248 PolarHBondContact O-N 3.4Å; M244-R248 VanDerWaalsContact O-N 3.16Å; S245-R248 CarbonylContact O-C 3.44Å; S245-R248 WeakPolarHBondContact O-CA 3.45Å; S245-R248 VanDerWaalsContact O-CB 3.3Å; S245-R248 WeakPolarHBondContact O-CB 3.24Å; S245-R248 PolarHBondContact O-N 2.95Å; E246-R248 PolarHBondContact O-N 2.97Å; E246-R248 VanDerWaalsContact O-N 3.16Å; R248-R251 WeakPolarHBondContact O-CB 3.31Å
249N52Low60.7Low101 Ų10198.3 Ų98.354%0.5454%0.538SS..Hα-helixtrans-85.6-35-176.8-64.9-7.7000112S245 E246 R251 C252 L253S245-N249 WeakPolarHBondContact O-CB 3.44Å; S245-N249 PolarHBondContact O-N 3.1Å; S245-N249 PolarHBondContact O-OD1 3.22Å; E246-N249 PolarHBondContact O-N 3.04Å; E246-N249 VanDerWaalsContact O-N 3.15Å; N249-R251 PolarHBondContact O-N 2.76Å; N249-C252 WeakPolarHBondContact O-CA 3.3Å; N249-C252 VanDerWaalsContact O-CB 3.25Å; N249-C252 WeakPolarHBondContact O-CB 3.49Å; N249-C252 PolarHBondContact O-N 2.84Å; N249-L253 PolarHBondContact O-N 2.91Å
250A52Low57.9Low63 Ų63103.9 Ų103.952%0.52157%0.568SS.*Hα-helixtrans-60.9-31.716900000112.1E246 C252E246-A250 VanDerWaalsContact O-CB 3.28Å; E246-A250 WeakPolarHBondContact O-CB 3.22Å; E246-A250 PolarHBondContact O-N 3.42Å; A250-C252 PolarHBondContact O-N 3.23Å
251R44.4Very low55.6Low87 Ų87111.8 Ų111.833%0.32860%0.602SS.*Hα-helixtrans-65.2-12.4169.6-90.8-179.8-75.4165.6-4.2114.1R247 R248 N249 F273R247-R251 PolarHBondContact O-NE 2.73Å; R247-R251 PolarHBondContact O-NH2 2.92Å; R247-R251 VanDerWaalsContact O-NH2 3.14Å; R248-R251 WeakPolarHBondContact O-CB 3.31Å; N249-R251 PolarHBondContact O-N 2.76Å; R251-F273 VanDerWaalsContact NH1-CE1 3.31Å
252C39.8Very low53.1Low100 Ų100113.3 Ų113.368%0.67661%0.613SS**Hα-helixtrans-97.4-38.2-178.9-167.30000112.4N249 A250 V254N249-C252 WeakPolarHBondContact O-CA 3.3Å; N249-C252 VanDerWaalsContact O-CB 3.25Å; N249-C252 WeakPolarHBondContact O-CB 3.49Å; N249-C252 PolarHBondContact O-N 2.84Å; A250-C252 PolarHBondContact O-N 3.23Å; C252-V254 VanDerWaalsContact C-N 3.3Å; C252-V254 PolarHBondContact O-N 2.78Å
253L43.2Very low50.5Low161 Ų161117.8 Ų117.884%0.84363%0.633SS**Hα-helixtrans-70.7-21.8-175.1-152.575.5000114.1N249N249-L253 PolarHBondContact O-N 2.91Å
254V39.8Very low48.2Very low121 Ų121125.2 Ų125.273%0.73367%0.671SS**THydrogen-bonded Turntrans-82.6-17-173.4177.20000113.4C252 G256C252-V254 VanDerWaalsContact C-N 3.3Å; C252-V254 PolarHBondContact O-N 2.78Å; V254-G256 PolarHBondContact O-N 2.94Å
255N38.5Very low45.8Very low139 Ų139125.7 Ų125.774%0.74368%0.681SS**THydrogen-bonded Turntrans-90.410.6-172.4-69.916.5000114.4L257N255-L257 PolarHBondContact O-N 3.07Å
256G36.8Very low43.5Very low66 Ų66130.5 Ų130.568%0.6870%0.703SS**  trans-86.974.8-167.400000116.2V254V254-G256 PolarHBondContact O-N 2.94Å
257L33.8Very low41.4Very low168 Ų168132.4 Ų132.488%0.8872%0.72SS**  trans-134.593.7163.1-78.2-178.8000113.3N255N255-L257 PolarHBondContact O-N 3.07Å
258S44.2Very low40.3Very low119 Ų119131.7 Ų131.783%0.83273%0.73SS**  trans12.1117.1148.6-177.70000119.6
259L34.1Very low38.5Very low169 Ų169133.3 Ų133.389%0.88574%0.742SS**  trans-142.1160.7145.8-16157.9000110.5
260D32.9Very low37.8Very low147 Ų147137.6 Ų137.679%0.78676%0.759SS**  trans-77.3150.8-151.2-152.7-7.4000116.6S262D260-S262 PolarHBondContact O-N 2.82Å
261H40Very low36.9Very low188 Ų188139.9 Ų139.987%0.8777%0.767SS**  trans-101.371.4-167.5-105.3-67.4000113.1
262S37.5Very low36.4Very low89 Ų89142.6 Ų142.662%0.62278%0.783SS**  trans-150.164.8174.972.80000117.2D260D260-S262 PolarHBondContact O-N 2.82Å
263K33.4Very low36Very low211 Ų211143.6 Ų143.692%0.91778%0.776SS**  trans-174.6144.5137.3-97.5143.5-165.1171.20113.3
264L37.2Very low35.8Very low163 Ų163141.2 Ų141.285%0.85377%0.77SS**  trans-72.5158.7170.5-123.364.6000109.8
265V33.2Very low35.7Very low128 Ų128139 Ų13978%0.77676%0.764SS**  cis-145.2164.812.9-162.40000109.5
266D29.1Very low35.6Very low149 Ų149136.4 Ų136.480%0.79776%0.755SS**  trans92.6136.8148.3-144.117.7000120.1
267V32.4Very low36Very low124 Ų124141.3 Ų141.375%0.75276%0.758SS**  trans-164.2148.7-161.8171.10000108.3
268P45.8Very low36.5Very low101 Ų101140.5 Ų140.566%0.65675%0.754SS**  cis-125.9151.6-3.233.7-17.6000114.8
269F29.4Very low36.9Very low205 Ų205139.5 Ų139.590%0.89974%0.737SS**  trans-167.584.3143-109.7-63.9000114
270Q36Very low38.1Very low191 Ų191138.9 Ų138.989%0.89373%0.733SS**  trans-168.7116.6151.3-111.6151.879.700110.5
271V34.2Very low40.2Very low112 Ų112134 Ų13468%0.67971%0.709SS**  trans-13689.2168.8-171.50000107.9F273V271-F273 HydrophobicContact CB-CD2 4.43Å; V271-F273 HydrophobicContact CB-CE2 4.45Å; V271-F273 HydrophobicContact CG1-CD2 3.59Å; V271-F273 HydrophobicContact CG1-CE2 3.54Å; V271-F273 HydrophobicContact CG1-CG 4.13Å; V271-F273 HydrophobicContact CG1-CZ 4.03Å; V271-F273 PolarHBondContact O-N 3.27Å
272E34.2Very low42.5Very low144 Ų144129.6 Ų129.667%0.67369%0.689SS**  trans-72.5105.6168.2-164.185.9-96.500107.1P274 R346E272-P274 WeakPolarHBondContact O-CD 3.48Å; E272-R346 IonicContact OE1-CZ 3.78Å; E272-R346 IonicContact OE1-NH2 3.97Å; E272-R346 PolarHBondContact OE1-NH2 2.65Å; E272-R346 IonicContact OE2-NH2 3.66Å; E272-R346 PolarHBondContact OE2-NH2 3.38Å
273F29.8Very low45.2Very low121 Ų121130.3 Ų130.353%0.53168%0.68SS.*  trans-93.9115.9-178-98-67.5000111.2R251 V271 A275R251-F273 VanDerWaalsContact NH1-CE1 3.31Å; V271-F273 HydrophobicContact CB-CD2 4.43Å; V271-F273 HydrophobicContact CB-CE2 4.45Å; V271-F273 HydrophobicContact CG1-CD2 3.59Å; V271-F273 HydrophobicContact CG1-CE2 3.54Å; V271-F273 HydrophobicContact CG1-CG 4.13Å; V271-F273 HydrophobicContact CG1-CZ 4.03Å; V271-F273 PolarHBondContact O-N 3.27Å; F273-A275 PolarHBondContact O-N 3.39Å; F273-A275 VanDerWaalsContact O-N 3.12Å
274P38.7Very low48.1Very low111 Ų111121.8 Ų121.872%0.72164%0.643SS**  trans-70.2106160.4-13.730000108.7E272E272-P274 WeakPolarHBondContact O-CD 3.48Å
275A38.6Very low50.8Low73 Ų73120.3 Ų120.360%0.60363%0.632SS**  trans-82.8147175.900000111.3F273 K277F273-A275 PolarHBondContact O-N 3.39Å; F273-A275 VanDerWaalsContact O-N 3.12Å; A275-K277 PolarHBondContact O-N 3.48Å
276P36.9Very low53.9Low85 Ų85114.6 Ų114.655%0.55260%0.597SS**  trans-62.4128.1175.6-22.534.1000112N278P276-N278 PolarHBondContact O-N 3.31Å
277K45.6Very low57.1Low169 Ų169111.6 Ų111.674%0.73558%0.575SS**SBendtrans-74.989.9-175.2-63.1177.5-177.1177.30111.8A275A275-K277 PolarHBondContact O-N 3.48Å
278N42.7Very low60.1Low152 Ų152106.4 Ų106.481%0.81354%0.543SS*.  trans-128.835.1152.9-164.128.1000111.1P276P276-N278 PolarHBondContact O-N 3.31Å
279E53.8Low62.5Low98 Ų98102.5 Ų102.546%0.45852%0.516SS..SBendtrans-81.6156153-60.3-168120.500108V281 P328E279-V281 HydrophobicContact CB-CG2 4.12Å; E279-V281 PolarHBondContact O-N 2.96Å; E279-P328 HydrophobicContact CB-CG 4.24Å
280L59.6Low65.5Low156 Ų15693.7 Ų93.782%0.81748%0.483SS*.  trans-73.272.1174.4-72.4167.1000110.4Q282L280-Q282 PolarHBondContact O-N 3.18Å
281V77.2Confident68.3Low44 Ų4488.4 Ų88.427%0.26746%0.461SS..  trans-77.9103.9-178.8-177.60000109.6E279 S325 V326 A327E279-V281 HydrophobicContact CB-CG2 4.12Å; E279-V281 PolarHBondContact O-N 2.96Å; V281-S325 WeakPolarHBondContact CG1-OG 3.44Å; V281-V326 WeakPolarHBondContact CA-O 3.38Å; V281-A327 HydrophobicContact CG2-CB 4.03Å
282Q87.9Confident71.1Confident96 Ų9684.9 Ų84.945%0.44944%0.44SS..EExtended strand (participates in β ladder)trans-86.1124.4178-63.3-179.67300109.6L280 F284 V326L280-Q282 PolarHBondContact O-N 3.18Å; Q282-F284 HydrophobicContact CB-CD2 4.39Å; Q282-F284 HydrophobicContact CB-CE2 3.46Å; Q282-F284 VanDerWaalsContact CB-CE2 3.46Å; Q282-F284 HydrophobicContact CB-CZ 3.73Å; Q282-V326 PolarHBondContact N-O 3.43Å; Q282-V326 PolarHBondContact O-N 3.09Å
283K92.8Very high74Confident103 Ų10383.6 Ų83.645%0.44844%0.444SS..EExtended strand (participates in β ladder)trans-99.3124.2173.2-83.5-165.9170.7-169.80110.2V324 E339K283-V324 WeakPolarHBondContact CA-O 3.49Å; K283-E339 IonicContact NZ-OE1 3.52Å; K283-E339 PolarHBondContact NZ-OE1 2.91Å; K283-E339 IonicContact NZ-OE2 2.76Å; K283-E339 PolarHBondContact NZ-OE2 3.08Å
284F94.3Very high77.1Confident32 Ų3278.9 Ų78.914%0.1443%0.425CS..EExtended strand (participates in β ladder)trans-112.3136176.2-61.3-83.4000111Q282 H323 V324 V326 L387 A390Q282-F284 HydrophobicContact CB-CD2 4.39Å; Q282-F284 HydrophobicContact CB-CE2 3.46Å; Q282-F284 VanDerWaalsContact CB-CE2 3.46Å; Q282-F284 HydrophobicContact CB-CZ 3.73Å; F284-H323 CarbonylContact O-C 3.58Å; F284-H323 VanDerWaalsContact O-CA 3.25Å; F284-H323 WeakPolarHBondContact O-CA 3.12Å; F284-V324 PolarHBondContact N-O 3.31Å; F284-V324 PolarHBondContact O-N 3.36Å; F284-V326 HydrophobicContact CD2-CG2 3.84Å; F284-V326 HydrophobicContact CE2-CB 4.26Å; F284-V326 HydrophobicContact CE2-CG2 3.74Å; F284-L387 HydrophobicContact CB-CB 4.3Å; F284-L387 HydrophobicContact CB-CD1 4.18Å; F284-L387 HydrophobicContact CD1-CB 4.26Å; F284-L387 HydrophobicContact CD2-CB 4.39Å; F284-L387 HydrophobicContact CD2-CD1 3.58Å; F284-L387 HydrophobicContact CE2-CD1 4.23Å; F284-L387 HydrophobicContact CG-CB 4.04Å; F284-L387 HydrophobicContact CG-CD1 3.96Å; F284-A390 HydrophobicContact CE2-CB 3.45Å; F284-A390 VanDerWaalsContact CE2-CB 3.45Å; F284-A390 HydrophobicContact CZ-CB 3.4Å; F284-A390 VanDerWaalsContact CZ-CB 3.4Å
285Q95.7Very high79.6Confident133 Ų13378.3 Ų78.362%0.62143%0.43SS*.EExtended strand (participates in β ladder)trans-85.9125.1175.2-51.2-160.1-41.500110H323Q285-H323 VanDerWaalsContact CG-CE1 3.47Å; Q285-H323 WeakPolarHBondContact CG-CE1 3.38Å; Q285-H323 PolarHBondContact NE2-CE1 2.88Å; Q285-H323 VanDerWaalsContact NE2-CE1 3.3Å
286V96.3Very high82.1Confident7 Ų781.1 Ų81.14%0.04243%0.428CS..EExtended strand (participates in β ladder)trans-149.8166.4-175.9-63.30000110.5S322 V324 F378 W379 C380 L387V286-S322 PolarHBondContact N-O 2.86Å; V286-S322 CarbonylContact O-C 3.58Å; V286-S322 WeakPolarHBondContact O-CA 3.34Å; V286-S322 PolarHBondContact O-N 2.87Å; V286-V324 HydrophobicContact CG2-CG2 3.72Å; V286-F378 HydrophobicContact CG2-CD1 3.99Å; V286-W379 CarbonylContact C-O 3.57Å; V286-W379 WeakPolarHBondContact CA-O 3.37Å; V286-W379 WeakPolarHBondContact CB-O 3.34Å; V286-C380 HydrophobicContact CG1-CB 4.27Å; V286-C380 VanDerWaalsContact CG1-SG 3.52Å; V286-L387 HydrophobicContact CG1-CD2 3.85Å
287Y96.4Very high84.5Confident86 Ų8679.3 Ų79.334%0.33742%0.416SS..EExtended strand (participates in β ladder)trans-98.6128160.4-59.3-99.3000108.4W319 T320 P321 F378 W379Y287-W319 HydrophobicContact CD1-CB 4.35Å; Y287-W319 HydrophobicContact CG-CB 4.45Å; Y287-T320 WeakPolarHBondContact CA-O 3.34Å; Y287-P321 HydrophobicContact CD1-CB 4.38Å; Y287-P321 HydrophobicContact CD1-CG 4.23Å; Y287-P321 HydrophobicContact CE1-CB 4.27Å; Y287-P321 HydrophobicContact CE1-CG 4.09Å; Y287-F378 CarbonylContact O-C 3.52Å; Y287-F378 WeakPolarHBondContact O-CA 3.21Å; Y287-W379 PolarHBondContact N-O 2.99Å; Y287-W379 PolarHBondContact O-N 3.03Å
288Y96.3Very high86.6Confident16 Ų1674.6 Ų74.66%0.06340%0.402CS..EExtended strand (participates in β ladder)trans-82.1122.7173.5-178.2-137.5000108.8G290 N291 T320 S322 I333 L342 H376 M377 F378Y288-G290 VanDerWaalsContact C-N 3.3Å; Y288-G290 WeakPolarHBondContact CE2-O 3.41Å; Y288-N291 PolarHBondContact OH-ND2 2.99Å; Y288-N291 VanDerWaalsContact OH-ND2 3.09Å; Y288-T320 PolarHBondContact N-O 3.42Å; Y288-T320 PolarHBondContact O-N 3.22Å; Y288-S322 VanDerWaalsContact CB-OG 3.31Å; Y288-S322 WeakPolarHBondContact CB-OG 3.38Å; Y288-I333 HydrophobicContact CD1-CG2 4.16Å; Y288-I333 HydrophobicContact CD2-CD1 4.25Å; Y288-I333 HydrophobicContact CD2-CG2 4.27Å; Y288-I333 HydrophobicContact CE1-CD1 4.46Å; Y288-I333 HydrophobicContact CE1-CG2 4.48Å; Y288-I333 HydrophobicContact CE2-CD1 3.68Å; Y288-I333 HydrophobicContact CG-CG2 4.02Å; Y288-L342 HydrophobicContact CD1-CB 4.24Å; Y288-L342 HydrophobicContact CD1-CD1 4.1Å; Y288-L342 HydrophobicContact CE1-CB 4.18Å; Y288-H376 HydrophobicContact CE2-CB 4.41Å; Y288-H376 AromaticContact CZ-ND1 3.9Å; Y288-H376 PolarHBondContact OH-ND1 3.03Å; Y288-M377 VanDerWaalsContact CD2-O 3.3Å; Y288-M377 WeakPolarHBondContact CD2-O 3.25Å; Y288-F378 AromaticContact CD2-CD1 3.81Å; Y288-F378 HydrophobicContact CD2-CD1 3.81Å; Y288-F378 AromaticContact CD2-CE1 3.51Å; Y288-F378 HydrophobicContact CD2-CE1 3.51Å; Y288-F378 HydrophobicContact CD2-CZ 4.13Å; Y288-F378 AromaticContact CE2-CE1 3.97Å; Y288-F378 HydrophobicContact CE2-CE1 3.97Å; Y288-F378 HydrophobicContact CE2-CZ 4.16Å; Y288-F378 HydrophobicContact CG-CE1 4.41Å
289L95.2Very high88.7Confident18 Ų1868.4 Ų68.49%0.09437%0.374CS..EExtended strand (participates in β ladder)trans-88.1-3.6179.7-55.1176.9000111.6L307 V310 L311 W319 M377 W379L289-L307 HydrophobicContact CD1-CD2 4.07Å; L289-V310 HydrophobicContact CB-CG1 4.07Å; L289-L311 HydrophobicContact CD1-CD2 4.21Å; L289-W319 HydrophobicContact CD2-CB 4.02Å; L289-W319 HydrophobicContact CD2-CD2 3.3Å; L289-W319 HydrophobicContact CD2-CE3 3.73Å; L289-W319 HydrophobicContact CD2-CG 3.44Å; L289-W319 VanDerWaalsContact CD2-CG 3.44Å; L289-W319 HydrophobicContact CD2-CZ2 4.28Å; L289-W319 HydrophobicContact CD2-CZ3 4.37Å; L289-M377 HydrophobicContact CB-CB 3.9Å; L289-M377 WeakPolarHBondContact CB-O 3.4Å; L289-M377 HydrophobicContact CD1-CB 4.2Å; L289-M377 PolarHBondContact N-O 2.91Å; L289-W379 HydrophobicContact CD1-CB 4.48Å; L289-W379 HydrophobicContact CD2-CB 4.23Å
290G93.2Very high90.5Very high20 Ų2067 Ų6721%0.20637%0.372CS..EExtended strand (participates in β ladder)trans95.4-159.4-175.400000112.7Y288 M377Y288-G290 VanDerWaalsContact C-N 3.3Å; Y288-G290 WeakPolarHBondContact CE2-O 3.41Å; G290-M377 PolarHBondContact O-N 2.83Å
291N94Very high91.9Very high80 Ų8065.2 Ų65.243%0.42836%0.363SS..EExtended strand (participates in β ladder)trans-143.7153178.766.388.1000111.6Y288 C374 C375 H376Y288-N291 PolarHBondContact OH-ND2 2.99Å; Y288-N291 VanDerWaalsContact OH-ND2 3.09Å; N291-C374 PolarHBondContact OD1-SG 3.45Å; N291-C375 CarbonylContact C-O 3.55Å; N291-C375 WeakPolarHBondContact CA-O 3.31Å; N291-C375 WeakPolarHBondContact CB-O 3.42Å; N291-H376 HydrophobicContact CB-CB 4.5Å
292V94.4Very high92.7Very high39 Ų3964.7 Ų64.724%0.23636%0.36CS..EExtended strand (participates in β ladder)trans-136.8146.6178.8-63.80000111.5V294 A306 V310 C374 C375 M377V292-V294 HydrophobicContact CG2-CG1 4.26Å; V292-A306 HydrophobicContact CG2-CB 3.69Å; V292-V310 HydrophobicContact CG1-CG2 4.36Å; V292-C374 WeakPolarHBondContact O-CA 3.35Å; V292-C375 HydrophobicContact CG2-CB 4.19Å; V292-C375 PolarHBondContact N-O 3.44Å; V292-C375 PolarHBondContact O-N 2.86Å; V292-M377 HydrophobicContact CB-CE 4.33Å; V292-M377 HydrophobicContact CG1-CE 3.93Å; V292-M377 HydrophobicContact CG2-CE 3.71Å
293P94.6Very high93Very high116 Ų11660.1 Ų60.175%0.75334%0.339SS*.EExtended strand (participates in β ladder)trans-67141.8171.729.5-34.7000110.7F373P293-F373 WeakPolarHBondContact CA-O 3.37Å
294V95.4Very high93Very high22 Ų2255.6 Ų55.613%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-132.8144179.2-650000112V292 K296 V302 I365 F373 C375V292-V294 HydrophobicContact CG2-CG1 4.26Å; V294-K296 VanDerWaalsContact C-N 3.31Å; V294-K296 PolarHBondContact O-N 3.09Å; V294-V302 HydrophobicContact CB-CG1 3.72Å; V294-V302 HydrophobicContact CG1-CG1 3.95Å; V294-V302 HydrophobicContact CG2-CG1 4.2Å; V294-I365 HydrophobicContact CG2-CD1 4.11Å; V294-I365 HydrophobicContact CG2-CG1 4.23Å; V294-I365 HydrophobicContact CG2-CG2 3.71Å; V294-F373 HydrophobicContact CG2-CB 3.84Å; V294-F373 PolarHBondContact N-O 3.14Å; V294-C375 HydrophobicContact CG1-CB 3.66Å; V294-C375 HydrophobicContact CG2-CB 4.25Å
295A89.7Confident93Very high100 Ų10056 Ų5683%0.82633%0.332SS*.SBendtrans-79.4-5.7-171.100000115.1
296K91.4Very high93Very high131 Ų13150.1 Ų50.157%0.5731%0.306SS*.  trans-137.9145.4-177.7-66.5-178-179.4178.40110.6V294 V298 V302V294-K296 VanDerWaalsContact C-N 3.31Å; V294-K296 PolarHBondContact O-N 3.09Å; K296-V298 VanDerWaalsContact C-N 3.28Å; K296-V298 PolarHBondContact O-N 2.87Å; K296-V302 HydrophobicContact CB-CG2 4.22Å; K296-V302 HydrophobicContact CD-CG2 4.32Å
297P87.8Confident92.9Very high47 Ų4749.9 Ų49.931%0.30531%0.305SS..SBendtrans-72.5-20.6175.728.1-33.5000113.5S351 F352 F373P297-S351 CarbonylContact O-C 3.56Å; P297-S351 WeakPolarHBondContact O-CB 3.35Å; P297-S351 PolarHBondContact O-OG 3.18Å; P297-F352 WeakPolarHBondContact O-CB 3.43Å; P297-F352 PolarHBondContact O-N 3.07Å; P297-F373 HydrophobicContact CB-CD1 3.87Å; P297-F373 HydrophobicContact CB-CE1 3.64Å; P297-F373 HydrophobicContact CB-CE2 4.36Å; P297-F373 HydrophobicContact CB-CG 4.35Å; P297-F373 HydrophobicContact CB-CZ 3.89Å; P297-F373 HydrophobicContact CG-CE1 4.32Å; P297-F373 HydrophobicContact CG-CE2 4.41Å; P297-F373 HydrophobicContact CG-CZ 4.08Å
298V90.3Very high92.7Very high70 Ų7049.9 Ų49.942%0.42431%0.308SS..  trans-139.2152.2-172.1-58.20000112.6K296 F352K296-V298 VanDerWaalsContact C-N 3.28Å; K296-V298 PolarHBondContact O-N 2.87Å; V298-F352 HydrophobicContact CB-CB 4.18Å; V298-F352 HydrophobicContact CB-CD2 4.13Å; V298-F352 HydrophobicContact CB-CG 4.21Å; V298-F352 HydrophobicContact CG1-CB 4.07Å; V298-F352 HydrophobicContact CG1-CD2 4.25Å; V298-F352 HydrophobicContact CG1-CG 4.45Å
299G87.4Confident92.5Very high22 Ų2252.6 Ų52.623%0.22733%0.329CS..  trans134.9128.1171.100000113.2D301 V302 I303 F352G299-D301 VanDerWaalsContact C-N 3.28Å; G299-D301 PolarHBondContact O-N 3.43Å; G299-V302 WeakPolarHBondContact O-CB 3.48Å; G299-V302 PolarHBondContact O-N 2.83Å; G299-V302 VanDerWaalsContact O-N 3.16Å; G299-I303 PolarHBondContact O-N 2.98Å; G299-F352 VanDerWaalsContact C-CE1 3.44Å
300V89.9Confident92.3Very high69 Ų6952.4 Ų52.442%0.41833%0.329SS..Hα-helixtrans-62.9-36176.4174.70000111.3V302 I303 N304 F352V300-V302 VanDerWaalsContact C-N 3.28Å; V300-V302 PolarHBondContact O-N 2.89Å; V300-I303 PolarHBondContact O-N 3.23Å; V300-N304 VanDerWaalsContact CG1-ND2 3.28Å; V300-N304 WeakPolarHBondContact CG1-ND2 3.48Å; V300-N304 PolarHBondContact O-N 3.24Å; V300-N304 PolarHBondContact O-ND2 2.99Å; V300-F352 HydrophobicContact CG2-CE1 3.95Å; V300-F352 HydrophobicContact CG2-CZ 3.67Å
301D90.7Very high92.2Very high119 Ų11954.3 Ų54.364%0.63633%0.334SS*.Hα-helixtrans-68.6-27176.7-49.7-68000112.9G299 G305G299-D301 VanDerWaalsContact C-N 3.28Å; G299-D301 PolarHBondContact O-N 3.43Å; D301-G305 PolarHBondContact O-N 3.39Å
302V92.6Very high91.9Very high33 Ų3355.3 Ų55.320%0.235%0.347CS..Hα-helixtrans-71.6-41.8176.6-174.90000110.2V294 K296 G299 V300 A306 I365V294-V302 HydrophobicContact CB-CG1 3.72Å; V294-V302 HydrophobicContact CG1-CG1 3.95Å; V294-V302 HydrophobicContact CG2-CG1 4.2Å; K296-V302 HydrophobicContact CB-CG2 4.22Å; K296-V302 HydrophobicContact CD-CG2 4.32Å; G299-V302 WeakPolarHBondContact O-CB 3.48Å; G299-V302 PolarHBondContact O-N 2.83Å; G299-V302 VanDerWaalsContact O-N 3.16Å; V300-V302 VanDerWaalsContact C-N 3.28Å; V300-V302 PolarHBondContact O-N 2.89Å; V302-A306 WeakPolarHBondContact O-CB 3.32Å; V302-A306 PolarHBondContact O-N 3.01Å; V302-I365 HydrophobicContact CB-CD1 4.2Å; V302-I365 HydrophobicContact CG1-CD1 3.87Å
303I94.1Very high91.4Very high0 Ų057.4 Ų57.40%036%0.364CS..Hα-helixtrans-65.6-47.2172.5-83.9176.6000111.1G299 V300 A306 L307 F352 A354 A363 I365G299-I303 PolarHBondContact O-N 2.98Å; V300-I303 PolarHBondContact O-N 3.23Å; I303-A306 PolarHBondContact O-N 2.9Å; I303-L307 HydrophobicContact CG2-CD1 3.75Å; I303-L307 WeakPolarHBondContact O-CG 3.38Å; I303-L307 PolarHBondContact O-N 3.49Å; I303-F352 HydrophobicContact CD1-CD1 3.63Å; I303-F352 HydrophobicContact CD1-CE1 3.94Å; I303-F352 HydrophobicContact CG1-CD1 4.36Å; I303-A354 HydrophobicContact CD1-CB 3.77Å; I303-A354 HydrophobicContact CG2-CB 4.41Å; I303-A363 HydrophobicContact CB-CB 4.5Å; I303-A363 HydrophobicContact CD1-CB 4.23Å; I303-A363 HydrophobicContact CG1-CB 4.13Å; I303-A363 HydrophobicContact CG2-CB 3.76Å; I303-I365 HydrophobicContact CD1-CG1 4.33Å; I303-I365 HydrophobicContact CG1-CD1 4.18Å; I303-I365 HydrophobicContact CG1-CG1 4.02Å
304N94.1Very high90.7Very high8 Ų853.5 Ų53.54%0.04334%0.339CS..Hα-helixtrans-66.4-40.9-178.6-76.5-56.8000112.5V300 A306 L307 E308 G356 R357V300-N304 VanDerWaalsContact CG1-ND2 3.28Å; V300-N304 WeakPolarHBondContact CG1-ND2 3.48Å; V300-N304 PolarHBondContact O-N 3.24Å; V300-N304 PolarHBondContact O-ND2 2.99Å; N304-A306 VanDerWaalsContact C-N 3.31Å; N304-A306 PolarHBondContact O-N 2.85Å; N304-L307 PolarHBondContact O-N 3.41Å; N304-E308 WeakPolarHBondContact O-CB 3.43Å; N304-E308 WeakPolarHBondContact O-CG 3.36Å; N304-E308 PolarHBondContact O-N 2.94Å; N304-G356 VanDerWaalsContact OD1-CA 3.28Å; N304-G356 WeakPolarHBondContact OD1-CA 3.41Å; N304-R357 PolarHBondContact OD1-N 2.97Å
305G94.2Very high90.1Very high40 Ų4054.9 Ų54.941%0.41235%0.35SS..Hα-helixtrans-62.9-36.3175.100000113.1D301 S309D301-G305 PolarHBondContact O-N 3.39Å; G305-S309 WeakPolarHBondContact O-CB 3.3Å; G305-S309 PolarHBondContact O-N 2.92Å; G305-S309 VanDerWaalsContact O-N 3.08Å
306A94.7Very high89.5Confident9 Ų955.5 Ų55.57%0.07433%0.33CS..Hα-helixtrans-65.8-48.117300000111.8V292 V302 I303 N304 S309 V310 C375 M377V292-A306 HydrophobicContact CG2-CB 3.69Å; V302-A306 WeakPolarHBondContact O-CB 3.32Å; V302-A306 PolarHBondContact O-N 3.01Å; I303-A306 PolarHBondContact O-N 2.9Å; N304-A306 VanDerWaalsContact C-N 3.31Å; N304-A306 PolarHBondContact O-N 2.85Å; A306-S309 PolarHBondContact O-N 3.02Å; A306-V310 PolarHBondContact O-N 3.39Å; A306-C375 HydrophobicContact CB-CB 4.33Å; A306-M377 HydrophobicContact CB-SD 3.71Å
307L94.4Very high88.8Confident3 Ų356.6 Ų56.62%0.01634%0.338CS..Hα-helixtrans-60.9-47.7177.6-76.1167.1000111.8L289 I303 N304 S309 V310 L311 A363 M377L289-L307 HydrophobicContact CD1-CD2 4.07Å; I303-L307 HydrophobicContact CG2-CD1 3.75Å; I303-L307 WeakPolarHBondContact O-CG 3.38Å; I303-L307 PolarHBondContact O-N 3.49Å; N304-L307 PolarHBondContact O-N 3.41Å; L307-S309 VanDerWaalsContact C-N 3.3Å; L307-S309 PolarHBondContact O-N 2.58Å; L307-V310 PolarHBondContact O-N 2.87Å; L307-V310 VanDerWaalsContact O-N 3.13Å; L307-L311 HydrophobicContact CB-CD1 4.37Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 VanDerWaalsContact O-CG 3.23Å; L307-L311 WeakPolarHBondContact O-CG 3.45Å; L307-L311 PolarHBondContact O-N 2.88Å; L307-A363 HydrophobicContact CD1-CB 4.31Å; L307-A363 HydrophobicContact CG-CB 4.44Å; L307-M377 HydrophobicContact CD2-CB 3.78Å; L307-M377 HydrophobicContact CD2-CG 3.71Å; L307-M377 HydrophobicContact CD2-SD 4.04Å; L307-M377 HydrophobicContact CG-CG 4.16Å; L307-M377 HydrophobicContact CG-SD 4.19Å
308E93.3Very high88.5Confident86 Ų8660.2 Ų60.240%0.40235%0.351SS..Hα-helixtrans-62.9-36.4178.9-73.8172.7176.800111.7N304 V310 S312 R357N304-E308 WeakPolarHBondContact O-CB 3.43Å; N304-E308 WeakPolarHBondContact O-CG 3.36Å; N304-E308 PolarHBondContact O-N 2.94Å; E308-V310 VanDerWaalsContact C-N 3.33Å; E308-V310 PolarHBondContact O-N 2.58Å; E308-S312 VanDerWaalsContact O-CB 3.28Å; E308-S312 WeakPolarHBondContact O-CB 3.42Å; E308-S312 PolarHBondContact O-N 3.49Å; E308-S312 VanDerWaalsContact O-N 3.1Å; E308-S312 PolarHBondContact O-OG 3.18Å; E308-R357 VanDerWaalsContact CD-NH1 3.26Å; E308-R357 VanDerWaalsContact OE1-CD 3.24Å; E308-R357 WeakPolarHBondContact OE1-CD 3.11Å; E308-R357 IonicContact OE1-CZ 2.65Å; E308-R357 IonicContact OE1-NE 2.64Å; E308-R357 IonicContact OE1-NH1 3.24Å; E308-R357 PolarHBondContact OE1-NH1 3.06Å; E308-R357 IonicContact OE2-NH1 3.5Å; E308-R357 PolarHBondContact OE2-NH1 3.5Å; E308-R357 VanDerWaalsContact OE2-NH1 3.1Å
309S91.5Very high88.5Confident73 Ų7358 Ų5851%0.5134%0.335SS..Hα-helixtrans-65.6-31.7174.4-172.50000113.5G305 A306 L307 S312 S313G305-S309 WeakPolarHBondContact O-CB 3.3Å; G305-S309 PolarHBondContact O-N 2.92Å; G305-S309 VanDerWaalsContact O-N 3.08Å; A306-S309 PolarHBondContact O-N 3.02Å; L307-S309 VanDerWaalsContact C-N 3.3Å; L307-S309 PolarHBondContact O-N 2.58Å; S309-S312 PolarHBondContact O-OG 3.09Å; S309-S313 WeakPolarHBondContact O-CB 3.32Å; S309-S313 PolarHBondContact O-OG 3.3Å; S309-S313 VanDerWaalsContact O-OG 3.06Å
310V90.9Very high88.7Confident13 Ų1359.4 Ų59.48%0.07934%0.339CS..Hα-helixtrans-86.5-41.9178.9175.70000111.5L289 V292 A306 L307 E308 S312 S313 S314 M377L289-V310 HydrophobicContact CB-CG1 4.07Å; V292-V310 HydrophobicContact CG1-CG2 4.36Å; A306-V310 PolarHBondContact O-N 3.39Å; L307-V310 PolarHBondContact O-N 2.87Å; L307-V310 VanDerWaalsContact O-N 3.13Å; E308-V310 VanDerWaalsContact C-N 3.33Å; E308-V310 PolarHBondContact O-N 2.58Å; V310-S312 PolarHBondContact O-N 3.33Å; V310-S313 PolarHBondContact O-N 2.68Å; V310-S313 PolarHBondContact O-OG 3.31Å; V310-S314 VanDerWaalsContact O-CB 3.29Å; V310-S314 WeakPolarHBondContact O-CB 3.37Å; V310-S314 PolarHBondContact O-N 3.21Å; V310-S314 PolarHBondContact O-OG 3.43Å; V310-M377 HydrophobicContact CG2-CE 3.63Å; V310-M377 HydrophobicContact CG2-SD 4.15Å
311L90.3Very high89Confident61 Ų6157.9 Ų57.932%0.31933%0.331SS..Hα-helixtrans-68.5-22.9180-65.6169.1000112.9L289 L307 W319 T361 W379L289-L311 HydrophobicContact CD1-CD2 4.21Å; L307-L311 HydrophobicContact CB-CD1 4.37Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 VanDerWaalsContact O-CG 3.23Å; L307-L311 WeakPolarHBondContact O-CG 3.45Å; L307-L311 PolarHBondContact O-N 2.88Å; L311-W319 HydrophobicContact CD2-CH2 3.85Å; L311-W319 HydrophobicContact CD2-CZ2 3.49Å; L311-W319 VanDerWaalsContact CD2-CZ2 3.49Å; L311-T361 HydrophobicContact CD1-CG2 3.87Å; L311-W379 HydrophobicContact CD2-CE3 4.28Å; L311-W379 HydrophobicContact CD2-CZ3 4.44Å
312S88.3Confident89.3Confident101 Ų10152.2 Ų52.271%0.70630%0.3SS*.THydrogen-bonded Turntrans-86.9-20.3172.358.70000114.4E308 S309 V310E308-S312 VanDerWaalsContact O-CB 3.28Å; E308-S312 WeakPolarHBondContact O-CB 3.42Å; E308-S312 PolarHBondContact O-N 3.49Å; E308-S312 VanDerWaalsContact O-N 3.1Å; E308-S312 PolarHBondContact O-OG 3.18Å; S309-S312 PolarHBondContact O-OG 3.09Å; V310-S312 PolarHBondContact O-N 3.33Å
313S83.5Confident89.3Confident83 Ų8351.7 Ų51.758%0.5830%0.296SS*.THydrogen-bonded Turntrans-98.5-29.9179.965.60000114.2S309 V310S309-S313 WeakPolarHBondContact O-CB 3.32Å; S309-S313 PolarHBondContact O-OG 3.3Å; S309-S313 VanDerWaalsContact O-OG 3.06Å; V310-S313 PolarHBondContact O-N 2.68Å; V310-S313 PolarHBondContact O-OG 3.31Å
314S81.1Confident89.4Confident33 Ų3351.8 Ų51.823%0.23130%0.296CS..SBendtrans-118.2112-165.9-53.90000110.9V310 W319V310-S314 VanDerWaalsContact O-CB 3.29Å; V310-S314 WeakPolarHBondContact O-CB 3.37Å; V310-S314 PolarHBondContact O-N 3.21Å; V310-S314 PolarHBondContact O-OG 3.43Å; S314-W319 PolarHBondContact O-NE1 2.79Å
315S81.6Confident89.5Confident52 Ų5251.8 Ų51.836%0.36430%0.296SS..  trans-67.6156.9177.477.70000111.6E317 Q318 W319S315-E317 WeakPolarHBondContact CB-OE2 3.35Å; S315-E317 PolarHBondContact O-N 3.2Å; S315-E317 VanDerWaalsContact O-N 3.09Å; S315-E317 PolarHBondContact OG-OE2 3.4Å; S315-Q318 WeakPolarHBondContact O-CB 3.25Å; S315-Q318 PolarHBondContact O-N 3.5Å; S315-Q318 PolarHBondContact OG-NE2 3.35Å; S315-W319 VanDerWaalsContact O-CD1 3.29Å; S315-W319 PolarHBondContact O-NE1 3.44Å
316R77.9Confident89.5Confident112 Ų11250 Ų5042%0.42328%0.278SS..G310 helixtrans-63.6-21.2-168.6-175.5160177.9158.42.1113.7Q318 W319 E381R316-Q318 VanDerWaalsContact C-N 3.28Å; R316-Q318 PolarHBondContact O-N 3.15Å; R316-W319 HydrophobicContact CB-CD2 4.41Å; R316-W319 HydrophobicContact CB-CE3 4.43Å; R316-W319 HydrophobicContact CB-CH2 4.24Å; R316-W319 HydrophobicContact CB-CZ2 4.19Å; R316-W319 HydrophobicContact CB-CZ3 4.34Å; R316-W319 HydrophobicContact CG-CD2 4.21Å; R316-W319 HydrophobicContact CG-CE3 3.79Å; R316-W319 HydrophobicContact CG-CH2 4.03Å; R316-W319 HydrophobicContact CG-CZ2 4.41Å; R316-W319 HydrophobicContact CG-CZ3 3.68Å; R316-E381 IonicContact CZ-OE1 2.84Å; R316-E381 IonicContact NH1-OE1 3.77Å; R316-E381 IonicContact NH2-OE1 3.75Å; R316-E381 PolarHBondContact NH2-OE1 3.44Å
317E76.8Confident89.2Confident154 Ų15450.2 Ų50.272%0.7228%0.28SS*.G310 helixtrans-76.1-15.5176.8-49.669.7-146.300112.7S315S315-E317 WeakPolarHBondContact CB-OE2 3.35Å; S315-E317 PolarHBondContact O-N 3.2Å; S315-E317 VanDerWaalsContact O-N 3.09Å; S315-E317 PolarHBondContact OG-OE2 3.4Å
318Q80.8Confident88.6Confident124 Ų12451.5 Ų51.558%0.57929%0.288SS*.G310 helixtrans-93.4-11.5-179.4-56.4175.246.900112.6S315 R316S315-Q318 WeakPolarHBondContact O-CB 3.25Å; S315-Q318 PolarHBondContact O-N 3.5Å; S315-Q318 PolarHBondContact OG-NE2 3.35Å; R316-Q318 VanDerWaalsContact C-N 3.28Å; R316-Q318 PolarHBondContact O-N 3.15Å
319W91.1Very high88.3Confident23 Ų2349.2 Ų49.29%0.08728%0.284CS..SBendtrans-75.4135.6-177.3-52.7-10.6000110.6Y287 L289 L311 S314 S315 R316 P321 W379Y287-W319 HydrophobicContact CD1-CB 4.35Å; Y287-W319 HydrophobicContact CG-CB 4.45Å; L289-W319 HydrophobicContact CD2-CB 4.02Å; L289-W319 HydrophobicContact CD2-CD2 3.3Å; L289-W319 HydrophobicContact CD2-CE3 3.73Å; L289-W319 HydrophobicContact CD2-CG 3.44Å; L289-W319 VanDerWaalsContact CD2-CG 3.44Å; L289-W319 HydrophobicContact CD2-CZ2 4.28Å; L289-W319 HydrophobicContact CD2-CZ3 4.37Å; L311-W319 HydrophobicContact CD2-CH2 3.85Å; L311-W319 HydrophobicContact CD2-CZ2 3.49Å; L311-W319 VanDerWaalsContact CD2-CZ2 3.49Å; S314-W319 PolarHBondContact O-NE1 2.79Å; S315-W319 VanDerWaalsContact O-CD1 3.29Å; S315-W319 PolarHBondContact O-NE1 3.44Å; R316-W319 HydrophobicContact CB-CD2 4.41Å; R316-W319 HydrophobicContact CB-CE3 4.43Å; R316-W319 HydrophobicContact CB-CH2 4.24Å; R316-W319 HydrophobicContact CB-CZ2 4.19Å; R316-W319 HydrophobicContact CB-CZ3 4.34Å; R316-W319 HydrophobicContact CG-CD2 4.21Å; R316-W319 HydrophobicContact CG-CE3 3.79Å; R316-W319 HydrophobicContact CG-CH2 4.03Å; R316-W319 HydrophobicContact CG-CZ2 4.41Å; R316-W319 HydrophobicContact CG-CZ3 3.68Å; W319-P321 VanDerWaalsContact O-CD 3.32Å; W319-P321 WeakPolarHBondContact O-CD 3.35Å; W319-W379 HydrophobicContact CE3-CB 3.95Å; W319-W379 HydrophobicContact CE3-CD2 4.45Å; W319-W379 HydrophobicContact CE3-CG 4.07Å; W319-W379 AromaticContact CH2-CD2 3.86Å; W319-W379 HydrophobicContact CH2-CD2 3.86Å; W319-W379 AromaticContact CH2-CE3 3.58Å; W319-W379 HydrophobicContact CH2-CE3 3.58Å; W319-W379 HydrophobicContact CH2-CG 4.34Å; W319-W379 HydrophobicContact CH2-CZ3 4.06Å; W319-W379 HydrophobicContact CZ3-CB 3.79Å; W319-W379 AromaticContact CZ3-CD2 3.43Å; W319-W379 HydrophobicContact CZ3-CD2 3.43Å; W319-W379 VanDerWaalsContact CZ3-CD2 3.43Å; W319-W379 AromaticContact CZ3-CE3 3.66Å; W319-W379 HydrophobicContact CZ3-CE3 3.66Å; W319-W379 AromaticContact CZ3-CG 3.48Å; W319-W379 HydrophobicContact CZ3-CG 3.48Å; W319-W379 VanDerWaalsContact CZ3-CG 3.48Å; W319-W379 HydrophobicContact CZ3-CZ3 4.47Å
320T92.2Very high88.3Confident51 Ų5147.1 Ų47.131%0.31327%0.268SS..EExtended strand (participates in β ladder)trans-83.6115.6-167.2-620000111.4Y287 Y288 S322 L342Y287-T320 WeakPolarHBondContact CA-O 3.34Å; Y288-T320 PolarHBondContact N-O 3.42Å; Y288-T320 PolarHBondContact O-N 3.22Å; T320-S322 WeakPolarHBondContact O-CB 3.33Å; T320-S322 PolarHBondContact O-N 2.85Å; T320-S322 PolarHBondContact O-OG 3.2Å; T320-L342 HydrophobicContact CG2-CD1 3.65Å
321P94.9Very high88.4Confident38 Ų3846.5 Ų46.525%0.24726%0.264CS..EExtended strand (participates in β ladder)trans-62.5121.9-179.6-2033.5000110.5Y287 W319 H335 Q336Y287-P321 HydrophobicContact CD1-CB 4.38Å; Y287-P321 HydrophobicContact CD1-CG 4.23Å; Y287-P321 HydrophobicContact CE1-CB 4.27Å; Y287-P321 HydrophobicContact CE1-CG 4.09Å; W319-P321 VanDerWaalsContact O-CD 3.32Å; W319-P321 WeakPolarHBondContact O-CD 3.35Å; P321-H335 PolarHBondContact O-CD2 3.44Å; P321-Q336 HydrophobicContact CB-CB 4.17Å; P321-Q336 VanDerWaalsContact O-CB 3.3Å; P321-Q336 WeakPolarHBondContact O-CB 3.07Å; P321-Q336 PolarHBondContact O-N 2.85Å
322S96.3Very high88.7Confident0 Ų044.9 Ų44.90%026%0.257CS..EExtended strand (participates in β ladder)trans-143.9161.1-161.5-63.80000113.6V286 Y288 T320 L334 L342V286-S322 PolarHBondContact N-O 2.86Å; V286-S322 CarbonylContact O-C 3.58Å; V286-S322 WeakPolarHBondContact O-CA 3.34Å; V286-S322 PolarHBondContact O-N 2.87Å; Y288-S322 VanDerWaalsContact CB-OG 3.31Å; Y288-S322 WeakPolarHBondContact CB-OG 3.38Å; T320-S322 WeakPolarHBondContact O-CB 3.33Å; T320-S322 PolarHBondContact O-N 2.85Å; T320-S322 PolarHBondContact O-OG 3.2Å; S322-L334 CarbonylContact C-O 3.59Å; S322-L334 WeakPolarHBondContact CA-O 3.41Å; S322-L334 WeakPolarHBondContact CB-O 3.41Å; S322-L342 WeakPolarHBondContact OG-CD1 3.45Å
323H93.6Very high89.1Confident22 Ų2240.1 Ų40.110%0.10222%0.224CC..EExtended strand (participates in β ladder)trans-122.8126.6169.6-67.4-12.2000109.9F284 Q285 L334F284-H323 CarbonylContact O-C 3.58Å; F284-H323 VanDerWaalsContact O-CA 3.25Å; F284-H323 WeakPolarHBondContact O-CA 3.12Å; Q285-H323 VanDerWaalsContact CG-CE1 3.47Å; Q285-H323 WeakPolarHBondContact CG-CE1 3.38Å; Q285-H323 PolarHBondContact NE2-CE1 2.88Å; Q285-H323 VanDerWaalsContact NE2-CE1 3.3Å; H323-L334 PolarHBondContact N-O 2.98Å; H323-L334 PolarHBondContact O-N 3.24Å
324V96.5Very high89.6Confident1 Ų136.8 Ų36.81%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-95.6116.7171.7177.70000108.6K283 F284 V286 V326 F378 L387K283-V324 WeakPolarHBondContact CA-O 3.49Å; F284-V324 PolarHBondContact N-O 3.31Å; F284-V324 PolarHBondContact O-N 3.36Å; V286-V324 HydrophobicContact CG2-CG2 3.72Å; V324-V326 HydrophobicContact CG1-CG2 4.02Å; V324-F378 HydrophobicContact CG2-CD1 3.8Å; V324-F378 HydrophobicContact CG2-CE1 3.52Å; V324-F378 HydrophobicContact CG2-CZ 4.27Å; V324-L387 HydrophobicContact CB-CD1 4.05Å; V324-L387 HydrophobicContact CB-CD2 4.46Å; V324-L387 HydrophobicContact CG1-CD1 3.76Å; V324-L387 HydrophobicContact CG2-CD2 4.42Å
325S95.1Very high90.1Very high8 Ų836.9 Ų36.96%0.05620%0.196CC..EExtended strand (participates in β ladder)trans-9699.9178.4167.50000109V281 L331 T332V281-S325 WeakPolarHBondContact CG1-OG 3.44Å; S325-L331 WeakPolarHBondContact O-CA 3.34Å; S325-T332 PolarHBondContact N-O 2.65Å; S325-T332 PolarHBondContact O-N 2.98Å
326V94.5Very high90.5Very high4 Ų437.7 Ų37.72%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-88.2112.3-178.8-1790000109.8V281 Q282 F284 V324 L331 L387 A390 V391 A394V281-V326 WeakPolarHBondContact CA-O 3.38Å; Q282-V326 PolarHBondContact N-O 3.43Å; Q282-V326 PolarHBondContact O-N 3.09Å; F284-V326 HydrophobicContact CD2-CG2 3.84Å; F284-V326 HydrophobicContact CE2-CB 4.26Å; F284-V326 HydrophobicContact CE2-CG2 3.74Å; V324-V326 HydrophobicContact CG1-CG2 4.02Å; V326-L331 HydrophobicContact CB-CD2 4.22Å; V326-L331 HydrophobicContact CG1-CD2 3.8Å; V326-L331 HydrophobicContact CG2-CD2 4.19Å; V326-L387 HydrophobicContact CG2-CD1 3.8Å; V326-A390 HydrophobicContact CG1-CB 4.21Å; V326-A390 HydrophobicContact CG2-CB 4.38Å; V326-V391 HydrophobicContact CG2-CG2 4.03Å; V326-A394 HydrophobicContact CG1-CB 4.1Å
327A89.8Confident90.9Very high13 Ų1339.9 Ų39.911%0.10721%0.209CC..  trans-116.7157.7172.400000111.2V281 A329 T330V281-A327 HydrophobicContact CG2-CB 4.03Å; A327-A329 PolarHBondContact O-N 3.5Å; A327-T330 WeakPolarHBondContact CA-O 3.38Å; A327-T330 WeakPolarHBondContact CB-O 3.47Å; A327-T330 PolarHBondContact N-O 3.45Å; A327-T330 PolarHBondContact O-N 3.12Å; A327-T330 VanDerWaalsContact O-O 3.11Å
328P81.8Confident91.4Very high30 Ų3037 Ų3720%0.19520%0.202CC..SBendtrans-56.4-20.4-176-27.635.2000116.3E279E279-P328 HydrophobicContact CB-CG 4.24Å
329A85.4Confident91.6Very high37 Ų3735.2 Ų35.231%0.30619%0.194SC..SBendtrans-112.2-22.517900000114.6A327 V347 R398A327-A329 PolarHBondContact O-N 3.5Å; A329-V347 WeakPolarHBondContact O-CB 3.12Å; A329-V347 PolarHBondContact O-N 3.35Å; A329-R398 PolarHBondContact O-NH1 3.14Å
330T91.3Very high91.5Very high29 Ų2936.3 Ų36.318%0.17821%0.208CC..EExtended strand (participates in β ladder)trans-152.5139.7-163.3-64.90000111.1A327 E344A327-T330 WeakPolarHBondContact CA-O 3.38Å; A327-T330 WeakPolarHBondContact CB-O 3.47Å; A327-T330 PolarHBondContact N-O 3.45Å; A327-T330 PolarHBondContact O-N 3.12Å; A327-T330 VanDerWaalsContact O-O 3.11Å; T330-E344 HydrophobicContact CG2-CG 3.3Å
331L94.6Very high91.5Very high0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-101.3133.2164.3-41.9179.8000108.3S325 V326 C345 V347 L350 F364 V391S325-L331 WeakPolarHBondContact O-CA 3.34Å; V326-L331 HydrophobicContact CB-CD2 4.22Å; V326-L331 HydrophobicContact CG1-CD2 3.8Å; V326-L331 HydrophobicContact CG2-CD2 4.19Å; L331-C345 HydrophobicContact CB-CB 4.25Å; L331-C345 PolarHBondContact N-O 3.2Å; L331-C345 PolarHBondContact O-N 2.94Å; L331-V347 HydrophobicContact CD2-CG2 4.07Å; L331-V347 HydrophobicContact CG-CG2 4.25Å; L331-L350 HydrophobicContact CD1-CD1 4.09Å; L331-L350 HydrophobicContact CD1-CD2 4.5Å; L331-F364 HydrophobicContact CD1-CD1 4.2Å; L331-F364 HydrophobicContact CD1-CE1 3.65Å; L331-F364 HydrophobicContact CD1-CZ 3.89Å; L331-V391 HydrophobicContact CD1-CG1 3.95Å; L331-V391 HydrophobicContact CD1-CG2 3.94Å; L331-V391 HydrophobicContact CD2-CG2 4.11Å
332T95.7Very high91.4Very high28 Ų2839.8 Ų39.817%0.17223%0.225CC..EExtended strand (participates in β ladder)trans-119.4126.6174.6-460000109.8S325 L334 V341S325-T332 PolarHBondContact N-O 2.65Å; S325-T332 PolarHBondContact O-N 2.98Å; T332-L334 HydrophobicContact CG2-CD2 3.89Å; T332-L334 HydrophobicContact CG2-CG 4.13Å; T332-V341 HydrophobicContact CG2-CG1 4.05Å; T332-V341 HydrophobicContact CG2-CG2 4.3Å
333I96.6Very high91.1Very high1 Ų140.6 Ų40.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-95.2121.5175.9-45171.5000107.2Y288 L342 G343 F378Y288-I333 HydrophobicContact CD1-CG2 4.16Å; Y288-I333 HydrophobicContact CD2-CD1 4.25Å; Y288-I333 HydrophobicContact CD2-CG2 4.27Å; Y288-I333 HydrophobicContact CE1-CD1 4.46Å; Y288-I333 HydrophobicContact CE1-CG2 4.48Å; Y288-I333 HydrophobicContact CE2-CD1 3.68Å; Y288-I333 HydrophobicContact CG-CG2 4.02Å; I333-L342 HydrophobicContact CB-CB 4.25Å; I333-L342 HydrophobicContact CG2-CB 4.02Å; I333-L342 HydrophobicContact CG2-CD1 4.38Å; I333-L342 PolarHBondContact O-N 2.94Å; I333-G343 PolarHBondContact N-O 2.89Å; I333-G343 PolarHBondContact O-N 3.47Å; I333-F378 HydrophobicContact CD1-CE1 3.82Å; I333-F378 HydrophobicContact CD1-CZ 3.67Å; I333-F378 HydrophobicContact CG1-CE1 4.04Å; I333-F378 HydrophobicContact CG1-CZ 4.12Å; I333-F378 HydrophobicContact CG2-CE1 4.15Å
334L93.8Very high91.1Very high13 Ų1343.7 Ų43.77%0.06825%0.248CC..EExtended strand (participates in β ladder)trans-122.2138.5-174.7-61.7165000109.8S322 H323 T332 E339 A340 V341S322-L334 CarbonylContact C-O 3.59Å; S322-L334 WeakPolarHBondContact CA-O 3.41Å; S322-L334 WeakPolarHBondContact CB-O 3.41Å; H323-L334 PolarHBondContact N-O 2.98Å; H323-L334 PolarHBondContact O-N 3.24Å; T332-L334 HydrophobicContact CG2-CD2 3.89Å; T332-L334 HydrophobicContact CG2-CG 4.13Å; L334-E339 WeakPolarHBondContact CD2-O 3.46Å; L334-A340 CarbonylContact C-O 3.59Å; L334-A340 WeakPolarHBondContact CA-O 3.34Å; L334-V341 HydrophobicContact CD2-CG2 3.84Å
335H92.8Very high90.9Very high34 Ų3443.8 Ų43.816%0.15725%0.248CC..EExtended strand (participates in β ladder)trans-69.3129.9171-179.3-118.4000110.5P321 Q337 T338 E339 A340 L342P321-H335 PolarHBondContact O-CD2 3.44Å; H335-Q337 VanDerWaalsContact C-N 3.28Å; H335-Q337 PolarHBondContact O-N 3.35Å; H335-Q337 VanDerWaalsContact O-N 3.16Å; H335-T338 PolarHBondContact ND1-OG1 3.25Å; H335-T338 PolarHBondContact O-N 3.41Å; H335-E339 VanDerWaalsContact O-CA 3.31Å; H335-E339 WeakPolarHBondContact O-CA 3.36Å; H335-E339 PolarHBondContact O-N 3.16Å; H335-A340 HydrophobicContact CB-CB 4.36Å; H335-A340 PolarHBondContact N-O 3.46Å; H335-L342 HydrophobicContact CB-CD1 4.03Å; H335-L342 HydrophobicContact CB-CD2 4.27Å; H335-L342 HydrophobicContact CB-CG 4.17Å
336Q88.8Confident90.7Very high70 Ų7047.5 Ų47.533%0.32726%0.261SS..THydrogen-bonded Turntrans-59.8-32.3-168.5172.4166.81100114.4P321P321-Q336 HydrophobicContact CB-CB 4.17Å; P321-Q336 VanDerWaalsContact O-CB 3.3Å; P321-Q336 WeakPolarHBondContact O-CB 3.07Å; P321-Q336 PolarHBondContact O-N 2.85Å
337Q86.3Confident90.4Very high157 Ų15747.6 Ų47.673%0.73426%0.262SS*.THydrogen-bonded Turntrans-98-19.2-173-61.4171.3-3.500113.8H335H335-Q337 VanDerWaalsContact C-N 3.28Å; H335-Q337 PolarHBondContact O-N 3.35Å; H335-Q337 VanDerWaalsContact O-N 3.16Å
338T86.9Confident90.3Very high94 Ų9454.6 Ų54.658%0.57729%0.285SS*.THydrogen-bonded Turntrans-123.1-5.6-174.259.20000113.7H335 A340H335-T338 PolarHBondContact ND1-OG1 3.25Å; H335-T338 PolarHBondContact O-N 3.41Å; T338-A340 PolarHBondContact O-N 3.09Å; T338-A340 WeakPolarHBondContact OG1-CB 3.21Å
339E86.8Confident90.6Very high87 Ų8756.7 Ų56.741%0.40729%0.292SS..  trans4822.9-168.6-66.5-96.7127.200113.4K283 L334 H335K283-E339 IonicContact NZ-OE1 3.52Å; K283-E339 PolarHBondContact NZ-OE1 2.91Å; K283-E339 IonicContact NZ-OE2 2.76Å; K283-E339 PolarHBondContact NZ-OE2 3.08Å; L334-E339 WeakPolarHBondContact CD2-O 3.46Å; H335-E339 VanDerWaalsContact O-CA 3.31Å; H335-E339 WeakPolarHBondContact O-CA 3.36Å; H335-E339 PolarHBondContact O-N 3.16Å
340A88.9Confident90.9Very high46 Ų4656.2 Ų56.238%0.3828%0.284SS..  trans-68.9134.7176.500000110.4L334 H335 T338 L342L334-A340 CarbonylContact C-O 3.59Å; L334-A340 WeakPolarHBondContact CA-O 3.34Å; H335-A340 HydrophobicContact CB-CB 4.36Å; H335-A340 PolarHBondContact N-O 3.46Å; T338-A340 PolarHBondContact O-N 3.09Å; T338-A340 WeakPolarHBondContact OG1-CB 3.21Å; A340-L342 PolarHBondContact O-N 3.18Å
341V91.3Very high90.7Very high97 Ų9756.1 Ų56.159%0.58828%0.284SS*.EExtended strand (participates in β ladder)trans-72.8112.6-178.6-178.40000110.1T332 L334T332-V341 HydrophobicContact CG2-CG1 4.05Å; T332-V341 HydrophobicContact CG2-CG2 4.3Å; L334-V341 HydrophobicContact CD2-CG2 3.84Å
342L91.9Very high90.6Very high65 Ų6557.1 Ų57.134%0.3429%0.289SS..EExtended strand (participates in β ladder)trans-88.8-15.1174.9-58.3177.7000112.4Y288 T320 S322 I333 H335 A340Y288-L342 HydrophobicContact CD1-CB 4.24Å; Y288-L342 HydrophobicContact CD1-CD1 4.1Å; Y288-L342 HydrophobicContact CE1-CB 4.18Å; T320-L342 HydrophobicContact CG2-CD1 3.65Å; S322-L342 WeakPolarHBondContact OG-CD1 3.45Å; I333-L342 HydrophobicContact CB-CB 4.25Å; I333-L342 HydrophobicContact CG2-CB 4.02Å; I333-L342 HydrophobicContact CG2-CD1 4.38Å; I333-L342 PolarHBondContact O-N 2.94Å; H335-L342 HydrophobicContact CB-CD1 4.03Å; H335-L342 HydrophobicContact CB-CD2 4.27Å; H335-L342 HydrophobicContact CB-CG 4.17Å; A340-L342 PolarHBondContact O-N 3.18Å
343G91.3Very high90.6Very high17 Ų1755.8 Ų55.818%0.17528%0.281CS..EExtended strand (participates in β ladder)trans175.5150.4173.200000113.2I333I333-G343 PolarHBondContact N-O 2.89Å; I333-G343 PolarHBondContact O-N 3.47Å
344E93.1Very high90.4Very high87 Ų8755.9 Ų55.941%0.40728%0.282SS..EExtended strand (participates in β ladder)trans-119.6121.5169.2-171.9-172.6119.500110T330 R346T330-E344 HydrophobicContact CG2-CG 3.3Å; E344-R346 WeakPolarHBondContact OE1-CG 3.47Å; E344-R346 IonicContact OE1-CZ 3.11Å; E344-R346 IonicContact OE1-NE 2.62Å; E344-R346 PolarHBondContact OE1-NE 3.01Å; E344-R346 IonicContact OE1-NH2 3.37Å; E344-R346 PolarHBondContact OE1-NH2 2.86Å
345C92.3Very high90.4Very high2 Ų255.6 Ų55.61%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-118.696.7-176-51.60000109L331 V347 F364 M366L331-C345 HydrophobicContact CB-CB 4.25Å; L331-C345 PolarHBondContact N-O 3.2Å; L331-C345 PolarHBondContact O-N 2.94Å; C345-V347 PolarHBondContact O-N 2.79Å; C345-F364 HydrophobicContact CB-CE2 3.7Å; C345-F364 HydrophobicContact CB-CZ 3.78Å; C345-M366 HydrophobicContact CB-SD 3.7Å
346R90.3Very high90.2Very high86 Ų8654.1 Ų54.133%0.32527%0.274SS..EExtended strand (participates in β ladder)trans-70.8126.6-177.9-62.9175.7-178.8163.3-5110.5E272 E344 R348 F349E272-R346 IonicContact OE1-CZ 3.78Å; E272-R346 IonicContact OE1-NH2 3.97Å; E272-R346 PolarHBondContact OE1-NH2 2.65Å; E272-R346 IonicContact OE2-NH2 3.66Å; E272-R346 PolarHBondContact OE2-NH2 3.38Å; E344-R346 WeakPolarHBondContact OE1-CG 3.47Å; E344-R346 IonicContact OE1-CZ 3.11Å; E344-R346 IonicContact OE1-NE 2.62Å; E344-R346 PolarHBondContact OE1-NE 3.01Å; E344-R346 IonicContact OE1-NH2 3.37Å; E344-R346 PolarHBondContact OE1-NH2 2.86Å; R346-R348 HydrophobicContact CB-CG 4.03Å; R346-R348 PolarHBondContact O-N 3.04Å; R346-F349 HydrophobicContact CB-CD2 4.03Å; R346-F349 HydrophobicContact CB-CE2 4.44Å; R346-F349 PolarHBondContact O-N 3.36Å
347V89.2Confident90.3Very high7 Ų758.7 Ų58.74%0.04229%0.289CS..G310 helixtrans-57.8-25.7-170.3174.50000113.1A329 L331 C345 F349 L350 A394 R398A329-V347 WeakPolarHBondContact O-CB 3.12Å; A329-V347 PolarHBondContact O-N 3.35Å; L331-V347 HydrophobicContact CD2-CG2 4.07Å; L331-V347 HydrophobicContact CG-CG2 4.25Å; C345-V347 PolarHBondContact O-N 2.79Å; V347-F349 PolarHBondContact O-N 2.88Å; V347-L350 HydrophobicContact CB-CD1 4.31Å; V347-L350 HydrophobicContact CG1-CD1 4.22Å; V347-L350 HydrophobicContact CG2-CD1 4.26Å; V347-L350 PolarHBondContact O-N 3.49Å; V347-A394 HydrophobicContact CG2-CB 4.27Å; V347-R398 HydrophobicContact CG1-CB 4.1Å
348R86.6Confident90.4Very high159 Ų15954.2 Ų54.260%0.627%0.27SS*.G310 helixtrans-61.4-16.9172.251.8176.5-72.3171.5-2.3115.5R346R346-R348 HydrophobicContact CB-CG 4.03Å; R346-R348 PolarHBondContact O-N 3.04Å
349F88.3Confident90.7Very high75 Ų7552.8 Ų52.833%0.32926%0.261SS..G310 helixtrans-111.8-1.9-176.2-60-53.7000113.3R346 V347 S351 M366 A367R346-F349 HydrophobicContact CB-CD2 4.03Å; R346-F349 HydrophobicContact CB-CE2 4.44Å; R346-F349 PolarHBondContact O-N 3.36Å; V347-F349 PolarHBondContact O-N 2.88Å; F349-S351 PolarHBondContact O-N 3.32Å; F349-M366 CarbonylContact O-C 3.54Å; F349-M366 WeakPolarHBondContact O-CA 3.35Å; F349-A367 PolarHBondContact O-N 3.48Å
350L91.3Very high91Very high26 Ų2651 Ų5114%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-64.4123.2168.8-67.1168.6000108.9L331 V347 F364 V391 C395L331-L350 HydrophobicContact CD1-CD1 4.09Å; L331-L350 HydrophobicContact CD1-CD2 4.5Å; V347-L350 HydrophobicContact CB-CD1 4.31Å; V347-L350 HydrophobicContact CG1-CD1 4.22Å; V347-L350 HydrophobicContact CG2-CD1 4.26Å; V347-L350 PolarHBondContact O-N 3.49Å; L350-F364 HydrophobicContact CD2-CB 3.85Å; L350-F364 HydrophobicContact CD2-CD1 4.37Å; L350-F364 HydrophobicContact CD2-CD2 3.26Å; L350-F364 HydrophobicContact CD2-CE2 3.84Å; L350-F364 HydrophobicContact CD2-CG 3.58Å; L350-V391 HydrophobicContact CD1-CG1 4.16Å; L350-C395 VanDerWaalsContact CD1-SG 3.56Å
351S88.9Confident91.2Very high27 Ų2749 Ų4919%0.18924%0.235CC..EExtended strand (participates in β ladder)trans-111.5-33.6-178.559.80000112.7P297 F349 I365P297-S351 CarbonylContact O-C 3.56Å; P297-S351 WeakPolarHBondContact O-CB 3.35Å; P297-S351 PolarHBondContact O-OG 3.18Å; F349-S351 PolarHBondContact O-N 3.32Å; S351-I365 PolarHBondContact N-O 3.41Å; S351-I365 PolarHBondContact OG-O 3.01Å
352F92.4Very high91.5Very high22 Ų2244.4 Ų44.410%0.09621%0.207CC..EExtended strand (participates in β ladder)trans-150.1156.8172.8-165.4-109.5000111.1I14 P297 V298 G299 V300 I303 A354 F364 I365I14-F352 HydrophobicContact CD1-CD2 4.36Å; I14-F352 HydrophobicContact CG1-CD2 3.97Å; I14-F352 HydrophobicContact CG1-CE2 4.28Å; P297-F352 WeakPolarHBondContact O-CB 3.43Å; P297-F352 PolarHBondContact O-N 3.07Å; V298-F352 HydrophobicContact CB-CB 4.18Å; V298-F352 HydrophobicContact CB-CD2 4.13Å; V298-F352 HydrophobicContact CB-CG 4.21Å; V298-F352 HydrophobicContact CG1-CB 4.07Å; V298-F352 HydrophobicContact CG1-CD2 4.25Å; V298-F352 HydrophobicContact CG1-CG 4.45Å; G299-F352 VanDerWaalsContact C-CE1 3.44Å; V300-F352 HydrophobicContact CG2-CE1 3.95Å; V300-F352 HydrophobicContact CG2-CZ 3.67Å; I303-F352 HydrophobicContact CD1-CD1 3.63Å; I303-F352 HydrophobicContact CD1-CE1 3.94Å; I303-F352 HydrophobicContact CG1-CD1 4.36Å; F352-A354 HydrophobicContact CE1-CB 4.05Å; F352-A354 HydrophobicContact CZ-CB 4.49Å; F352-F364 CarbonylContact O-C 3.58Å; F352-F364 WeakPolarHBondContact O-CA 3.37Å; F352-I365 HydrophobicContact CB-CB 4.28Å; F352-I365 HydrophobicContact CB-CD1 4.24Å; F352-I365 HydrophobicContact CB-CG1 4.44Å; F352-I365 HydrophobicContact CD1-CD1 4.43Å; F352-I365 PolarHBondContact N-O 3.43Å; F352-I365 PolarHBondContact O-N 3.5Å
353L95.4Very high91.8Very high0 Ų041.3 Ų41.30%019%0.191CC..EExtended strand (participates in β ladder)trans-165.5131.7-167.5120.774.6000108.3W12 I14 F362 F364 V391W12-L353 HydrophobicContact CD2-CD1 4.28Å; W12-L353 HydrophobicContact CD2-CG 4.29Å; W12-L353 HydrophobicContact CE3-CD1 4.11Å; W12-L353 HydrophobicContact CE3-CD2 4.32Å; W12-L353 HydrophobicContact CE3-CG 3.71Å; W12-L353 HydrophobicContact CH2-CD1 3.28Å; W12-L353 HydrophobicContact CH2-CD2 3.73Å; W12-L353 HydrophobicContact CH2-CG 3.54Å; W12-L353 HydrophobicContact CZ2-CD1 3.52Å; W12-L353 HydrophobicContact CZ2-CG 4.17Å; W12-L353 HydrophobicContact CZ3-CD1 3.63Å; W12-L353 HydrophobicContact CZ3-CD2 3.49Å; W12-L353 VanDerWaalsContact CZ3-CD2 3.49Å; W12-L353 HydrophobicContact CZ3-CG 3.29Å; I14-L353 HydrophobicContact CD1-CB 3.92Å; I14-L353 HydrophobicContact CD1-CD2 4.17Å; I14-L353 HydrophobicContact CD1-CG 4.16Å; L353-F362 HydrophobicContact CD1-CE2 3.31Å; L353-F362 HydrophobicContact CD1-CZ 3.42Å; L353-F362 VanDerWaalsContact CD1-CZ 3.42Å; L353-F364 HydrophobicContact CB-CB 3.83Å; L353-V391 HydrophobicContact CD1-CG1 4.28Å; L353-V391 HydrophobicContact CD2-CG1 3.71Å
354A91.1Very high92.1Very high3 Ų340.5 Ų40.53%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-158.2160-175.400000112.8W12 I303 F352 F362 A363W12-A354 HydrophobicContact CG-CB 4.44Å; I303-A354 HydrophobicContact CD1-CB 3.77Å; I303-A354 HydrophobicContact CG2-CB 4.41Å; F352-A354 HydrophobicContact CE1-CB 4.05Å; F352-A354 HydrophobicContact CZ-CB 4.49Å; A354-F362 WeakPolarHBondContact O-CD2 3.42Å; A354-A363 PolarHBondContact N-O 3.4Å; A354-A363 PolarHBondContact O-N 3.11Å; A354-A363 VanDerWaalsContact O-O 3.04Å
355V94.4Very high92.1Very high6 Ų636.4 Ų36.44%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-84.1144157.4178.50000107.5Y11 T361 F362 A384Y11-V355 HydrophobicContact CD1-CB 3.9Å; Y11-V355 HydrophobicContact CD1-CG2 4.22Å; Y11-V355 HydrophobicContact CE1-CB 3.42Å; Y11-V355 VanDerWaalsContact CE1-CB 3.42Å; Y11-V355 HydrophobicContact CE1-CG1 3.62Å; Y11-V355 HydrophobicContact CE1-CG2 3.82Å; Y11-V355 WeakPolarHBondContact OH-CG1 3.15Å; V355-T361 CarbonylContact C-O 3.38Å; V355-T361 WeakPolarHBondContact CA-O 3.45Å; V355-T361 VanDerWaalsContact CG1-O 3.28Å; V355-T361 WeakPolarHBondContact CG1-O 3.29Å; V355-F362 HydrophobicContact CG2-CD2 4.21Å; V355-A384 HydrophobicContact CB-CB 4.46Å; V355-A384 HydrophobicContact CG1-CB 3.96Å; V355-A384 HydrophobicContact CG2-CB 3.73Å
356G89.3Confident92.1Very high3 Ų337.5 Ų37.53%0.03117%0.169CC..  trans-78.4-169.6-179.700000113.5N304 D358 T361N304-G356 VanDerWaalsContact OD1-CA 3.28Å; N304-G356 WeakPolarHBondContact OD1-CA 3.41Å; G356-D358 PolarHBondContact O-N 3.33Å; G356-T361 VanDerWaalsContact CA-OG1 3.32Å; G356-T361 WeakPolarHBondContact CA-OG1 3.43Å; G356-T361 PolarHBondContact N-O 3.33Å; G356-T361 PolarHBondContact N-OG1 2.81Å
357R89.5Confident92Very high167 Ų16734.8 Ų34.863%0.6317%0.165SC*.SBendtrans-60-29.7172.9-75.3166.8-178.6171.13.2112.8N304 E308N304-R357 PolarHBondContact OD1-N 2.97Å; E308-R357 VanDerWaalsContact CD-NH1 3.26Å; E308-R357 VanDerWaalsContact OE1-CD 3.24Å; E308-R357 WeakPolarHBondContact OE1-CD 3.11Å; E308-R357 IonicContact OE1-CZ 2.65Å; E308-R357 IonicContact OE1-NE 2.64Å; E308-R357 IonicContact OE1-NH1 3.24Å; E308-R357 PolarHBondContact OE1-NH1 3.06Å; E308-R357 IonicContact OE2-NH1 3.5Å; E308-R357 PolarHBondContact OE2-NH1 3.5Å; E308-R357 VanDerWaalsContact OE2-NH1 3.1Å
358D89.6Confident91.7Very high63 Ų6337.8 Ų37.834%0.33719%0.19SC..SBendtrans-95.4130.6170.6-172.3-29.5000110G356 H360 T361 W379G356-D358 PolarHBondContact O-N 3.33Å; D358-H360 PolarHBondContact O-N 2.88Å; D358-H360 VanDerWaalsContact O-N 3.12Å; D358-H360 IonicContact OD1-CE1 2.74Å; D358-H360 IonicContact OD1-CG 3.07Å; D358-H360 PolarHBondContact OD1-N 3.39Å; D358-H360 IonicContact OD1-ND1 2.97Å; D358-H360 PolarHBondContact OD1-ND1 3.15Å; D358-H360 IonicContact OD2-ND1 2.71Å; D358-T361 HydrophobicContact CB-CG2 3.9Å; D358-T361 PolarHBondContact O-N 3.18Å; D358-T361 PolarHBondContact O-OG1 2.92Å; D358-W379 WeakPolarHBondContact OD2-CH2 3.49Å
359V92Very high91.4Very high64 Ų6431.6 Ų31.639%0.38818%0.176SC..THydrogen-bonded Turntrans-58.7-21.3179.6-58.60000114.2N383 A384V359-N383 HydrophobicContact CB-CB 4.43Å; V359-N383 HydrophobicContact CG2-CB 4.35Å; V359-N383 WeakPolarHBondContact O-CB 3.41Å; V359-A384 VanDerWaalsContact O-CB 3.27Å; V359-A384 WeakPolarHBondContact O-CB 3.44Å; V359-A384 PolarHBondContact O-N 3.43Å
360H93.3Very high91Very high49 Ų4934.6 Ų34.623%0.22720%0.203CC..THydrogen-bonded Turntrans-82.6-17.7175.5-50.188.8000112.6D358 W379 C380 E381 P382D358-H360 PolarHBondContact O-N 2.88Å; D358-H360 VanDerWaalsContact O-N 3.12Å; D358-H360 IonicContact OD1-CE1 2.74Å; D358-H360 IonicContact OD1-CG 3.07Å; D358-H360 PolarHBondContact OD1-N 3.39Å; D358-H360 IonicContact OD1-ND1 2.97Å; D358-H360 PolarHBondContact OD1-ND1 3.15Å; D358-H360 IonicContact OD2-ND1 2.71Å; H360-W379 HydrophobicContact CB-CD2 3.88Å; H360-W379 VanDerWaalsContact CB-CE2 3.45Å; H360-W379 HydrophobicContact CB-CE3 4.23Å; H360-W379 HydrophobicContact CB-CH2 3.79Å; H360-W379 HydrophobicContact CB-CZ2 3.41Å; H360-W379 VanDerWaalsContact CB-CZ2 3.41Å; H360-W379 HydrophobicContact CB-CZ3 4.19Å; H360-W379 AromaticContact CG-CE2 3.98Å; H360-W379 AromaticContact CG-CZ2 3.55Å; H360-W379 AromaticContact ND1-CZ2 3.85Å; H360-C380 WeakPolarHBondContact CB-O 3.49Å; H360-C380 PolarHBondContact O-N 2.77Å; H360-E381 IonicContact CD2-OE2 3.31Å; H360-P382 PolarHBondContact CD2-O 2.88Å; H360-P382 PolarHBondContact NE2-O 3.38Å
361T94.8Very high90.7Very high3 Ų337.8 Ų37.82%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-91.6126.6-173.361.60000112.1L311 V355 G356 D358 W379L311-T361 HydrophobicContact CD1-CG2 3.87Å; V355-T361 CarbonylContact C-O 3.38Å; V355-T361 WeakPolarHBondContact CA-O 3.45Å; V355-T361 VanDerWaalsContact CG1-O 3.28Å; V355-T361 WeakPolarHBondContact CG1-O 3.29Å; G356-T361 VanDerWaalsContact CA-OG1 3.32Å; G356-T361 WeakPolarHBondContact CA-OG1 3.43Å; G356-T361 PolarHBondContact N-O 3.33Å; G356-T361 PolarHBondContact N-OG1 2.81Å; D358-T361 HydrophobicContact CB-CG2 3.9Å; D358-T361 PolarHBondContact O-N 3.18Å; D358-T361 PolarHBondContact O-OG1 2.92Å; T361-W379 HydrophobicContact CG2-CE3 3.76Å; T361-W379 HydrophobicContact CG2-CZ3 3.76Å
362F97.4Very high90.8Very high1 Ų139.3 Ų39.30%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-125.5141.5178-179.5-115.6000110.7W12 L353 A354 V355 F364 F378 A384 L387 S388 V391W12-F362 HydrophobicContact CZ2-CE2 4.49Å; L353-F362 HydrophobicContact CD1-CE2 3.31Å; L353-F362 HydrophobicContact CD1-CZ 3.42Å; L353-F362 VanDerWaalsContact CD1-CZ 3.42Å; A354-F362 WeakPolarHBondContact O-CD2 3.42Å; V355-F362 HydrophobicContact CG2-CD2 4.21Å; F362-F364 HydrophobicContact CE1-CD1 4.03Å; F362-F364 HydrophobicContact CZ-CD1 4.5Å; F362-F378 HydrophobicContact CB-CB 4.4Å; F362-F378 AromaticContact CD1-CD2 3.79Å; F362-F378 HydrophobicContact CD1-CD2 3.79Å; F362-F378 HydrophobicContact CD1-CE2 4.45Å; F362-F378 HydrophobicContact CD1-CG 4.46Å; F362-F378 HydrophobicContact CE1-CD2 4.46Å; F362-F378 PolarHBondContact N-O 2.76Å; F362-F378 PolarHBondContact O-N 2.84Å; F362-A384 HydrophobicContact CB-CB 3.92Å; F362-L387 HydrophobicContact CD1-CD2 3.56Å; F362-L387 HydrophobicContact CD1-CG 3.87Å; F362-L387 HydrophobicContact CE1-CD2 3.94Å; F362-L387 HydrophobicContact CE1-CG 3.83Å; F362-L387 HydrophobicContact CG-CD2 4.4Å; F362-S388 VanDerWaalsContact CE2-CA 3.49Å; F362-V391 HydrophobicContact CE1-CG2 4.2Å; F362-V391 HydrophobicContact CZ-CB 4.11Å; F362-V391 HydrophobicContact CZ-CG1 4.4Å; F362-V391 HydrophobicContact CZ-CG2 4.11Å
363A97.2Very high90.8Very high0 Ų039.9 Ų39.90%025%0.247CC..EExtended strand (participates in β ladder)trans-150.1157.1175.300000113.5I303 L307 A354 H376 M377I303-A363 HydrophobicContact CB-CB 4.5Å; I303-A363 HydrophobicContact CD1-CB 4.23Å; I303-A363 HydrophobicContact CG1-CB 4.13Å; I303-A363 HydrophobicContact CG2-CB 3.76Å; L307-A363 HydrophobicContact CD1-CB 4.31Å; L307-A363 HydrophobicContact CG-CB 4.44Å; A354-A363 PolarHBondContact N-O 3.4Å; A354-A363 PolarHBondContact O-N 3.11Å; A354-A363 VanDerWaalsContact O-O 3.04Å; A363-H376 CarbonylContact C-O 3.57Å; A363-H376 WeakPolarHBondContact CA-O 3.26Å; A363-H376 WeakPolarHBondContact CB-O 3.27Å; A363-M377 HydrophobicContact CB-CG 3.89Å
364F96.9Very high90.8Very high1 Ų140.8 Ų40.80%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-141.3143.6169.760.6-107.3000112.4L331 C345 L350 F352 L353 F362 M366 C375 H376 F378L331-F364 HydrophobicContact CD1-CD1 4.2Å; L331-F364 HydrophobicContact CD1-CE1 3.65Å; L331-F364 HydrophobicContact CD1-CZ 3.89Å; C345-F364 HydrophobicContact CB-CE2 3.7Å; C345-F364 HydrophobicContact CB-CZ 3.78Å; L350-F364 HydrophobicContact CD2-CB 3.85Å; L350-F364 HydrophobicContact CD2-CD1 4.37Å; L350-F364 HydrophobicContact CD2-CD2 3.26Å; L350-F364 HydrophobicContact CD2-CE2 3.84Å; L350-F364 HydrophobicContact CD2-CG 3.58Å; F352-F364 CarbonylContact O-C 3.58Å; F352-F364 WeakPolarHBondContact O-CA 3.37Å; L353-F364 HydrophobicContact CB-CB 3.83Å; F362-F364 HydrophobicContact CE1-CD1 4.03Å; F362-F364 HydrophobicContact CZ-CD1 4.5Å; F364-M366 HydrophobicContact CE2-SD 4.43Å; F364-C375 CarbonylContact O-C 3.56Å; F364-C375 VanDerWaalsContact O-CA 3.32Å; F364-C375 WeakPolarHBondContact O-CA 3.25Å; F364-H376 HydrophobicContact CD2-CB 4.11Å; F364-H376 HydrophobicContact CE1-CB 4.35Å; F364-H376 HydrophobicContact CE2-CB 3.65Å; F364-H376 AromaticContact CE2-CD2 3.72Å; F364-H376 AromaticContact CE2-CG 3.78Å; F364-H376 HydrophobicContact CZ-CB 3.78Å; F364-H376 PolarHBondContact N-O 3.32Å; F364-H376 PolarHBondContact O-N 3.36Å; F364-F378 AromaticContact CD1-CE2 3.89Å; F364-F378 HydrophobicContact CD1-CE2 3.89Å; F364-F378 AromaticContact CE1-CE2 3.41Å; F364-F378 HydrophobicContact CE1-CE2 3.41Å; F364-F378 VanDerWaalsContact CE1-CE2 3.41Å; F364-F378 AromaticContact CE1-CZ 3.72Å; F364-F378 HydrophobicContact CE1-CZ 3.72Å; F364-F378 HydrophobicContact CZ-CE2 4.05Å; F364-F378 HydrophobicContact CZ-CZ 4.03Å
365I94.6Very high91Very high0 Ų040.7 Ų40.70%025%0.251CS..EExtended strand (participates in β ladder)trans-95.7123.8172.9-54.1179.7000108.2V294 V302 I303 S351 F352 F373 C374 C375V294-I365 HydrophobicContact CG2-CD1 4.11Å; V294-I365 HydrophobicContact CG2-CG1 4.23Å; V294-I365 HydrophobicContact CG2-CG2 3.71Å; V302-I365 HydrophobicContact CB-CD1 4.2Å; V302-I365 HydrophobicContact CG1-CD1 3.87Å; I303-I365 HydrophobicContact CD1-CG1 4.33Å; I303-I365 HydrophobicContact CG1-CD1 4.18Å; I303-I365 HydrophobicContact CG1-CG1 4.02Å; S351-I365 PolarHBondContact N-O 3.41Å; S351-I365 PolarHBondContact OG-O 3.01Å; F352-I365 HydrophobicContact CB-CB 4.28Å; F352-I365 HydrophobicContact CB-CD1 4.24Å; F352-I365 HydrophobicContact CB-CG1 4.44Å; F352-I365 HydrophobicContact CD1-CD1 4.43Å; F352-I365 PolarHBondContact N-O 3.43Å; F352-I365 PolarHBondContact O-N 3.5Å; I365-F373 HydrophobicContact CG2-CB 3.78Å; I365-C374 CarbonylContact C-O 3.59Å; I365-C374 WeakPolarHBondContact CA-O 3.46Å; I365-C375 HydrophobicContact CG1-CB 4.3Å
366M92.4Very high91.2Very high26 Ų2641.1 Ų41.113%0.12825%0.253CS..EExtended strand (participates in β ladder)trans-115.7146.3170.361.6176.6-83.900112.1C345 F349 F364 A368 F373 C374 H376C345-M366 HydrophobicContact CB-SD 3.7Å; F349-M366 CarbonylContact O-C 3.54Å; F349-M366 WeakPolarHBondContact O-CA 3.35Å; F364-M366 HydrophobicContact CE2-SD 4.43Å; M366-A368 PolarHBondContact O-N 3.44Å; M366-F373 CarbonylContact O-C 3.5Å; M366-F373 WeakPolarHBondContact O-CA 3.25Å; M366-C374 HydrophobicContact CG-CB 4.42Å; M366-C374 PolarHBondContact N-O 3.39Å; M366-C374 PolarHBondContact O-N 3.35Å; M366-H376 PolarHBondContact SD-NE2 3.06Å; M366-H376 VanDerWaalsContact SD-NE2 3.44Å
367A87.1Confident91.5Very high29 Ų2941 Ų4124%0.2425%0.252CS..EExtended strand (participates in β ladder)trans-74.7116.3170.400000110.3F349 F373F349-A367 PolarHBondContact O-N 3.48Å; A367-F373 HydrophobicContact CB-CD1 4.1Å; A367-F373 HydrophobicContact CB-CE1 4.23Å
368A83.4Confident91.9Very high69 Ų6933 Ų3357%0.5722%0.222SC*.EExtended strand (participates in β ladder)trans-90-23.3174.200000112.1M366 S372M366-A368 PolarHBondContact O-N 3.44Å; A368-S372 PolarHBondContact N-O 2.85Å
369G80.1Confident92.2Very high30 Ų3031 Ų3131%0.30921%0.209SC..EExtended strand (participates in β ladder)trans-174.1-173.9177.500000112.5A371 S372G369-A371 PolarHBondContact O-N 2.81Å; G369-A371 VanDerWaalsContact O-N 3.13Å; G369-S372 PolarHBondContact N-O 2.99Å; G369-S372 PolarHBondContact O-N 2.91Å
370P80.4Confident92.3Very high137 Ų13728.1 Ų28.189%0.8919%0.192SC*.THydrogen-bonded Turntrans-56.1118.1174.9-23.334.3000110.9S372P370-S372 PolarHBondContact O-N 2.97Å
371A83.9Confident92.2Very high94 Ų9430.2 Ų30.278%0.77720%0.202SC*.THydrogen-bonded Turntrans53.518.3-17400000115.8G369G369-A371 PolarHBondContact O-N 2.81Å; G369-A371 VanDerWaalsContact O-N 3.13Å
372S91.1Very high91.9Very high59 Ų5934.9 Ų34.941%0.41323%0.232SC..EExtended strand (participates in β ladder)trans-114.4121178.6-177.70000110.1A368 G369 P370A368-S372 PolarHBondContact N-O 2.85Å; G369-S372 PolarHBondContact N-O 2.99Å; G369-S372 PolarHBondContact O-N 2.91Å; P370-S372 PolarHBondContact O-N 2.97Å
373F92.9Very high91.7Very high34 Ų3437.6 Ų37.615%0.14925%0.247CC..EExtended strand (participates in β ladder)trans-129145.1-174.5-45.8-74.7000110.7P293 V294 P297 I365 M366 A367P293-F373 WeakPolarHBondContact CA-O 3.37Å; V294-F373 HydrophobicContact CG2-CB 3.84Å; V294-F373 PolarHBondContact N-O 3.14Å; P297-F373 HydrophobicContact CB-CD1 3.87Å; P297-F373 HydrophobicContact CB-CE1 3.64Å; P297-F373 HydrophobicContact CB-CE2 4.36Å; P297-F373 HydrophobicContact CB-CG 4.35Å; P297-F373 HydrophobicContact CB-CZ 3.89Å; P297-F373 HydrophobicContact CG-CE1 4.32Å; P297-F373 HydrophobicContact CG-CE2 4.41Å; P297-F373 HydrophobicContact CG-CZ 4.08Å; I365-F373 HydrophobicContact CG2-CB 3.78Å; M366-F373 CarbonylContact O-C 3.5Å; M366-F373 WeakPolarHBondContact O-CA 3.25Å; A367-F373 HydrophobicContact CB-CD1 4.1Å; A367-F373 HydrophobicContact CB-CE1 4.23Å
374C95.4Very high91.4Very high19 Ų1937.6 Ų37.613%0.12825%0.247CC..EExtended strand (participates in β ladder)trans-130.7128.3-177.6-170.80000109.9N291 V292 I365 M366N291-C374 PolarHBondContact OD1-SG 3.45Å; V292-C374 WeakPolarHBondContact O-CA 3.35Å; I365-C374 CarbonylContact C-O 3.59Å; I365-C374 WeakPolarHBondContact CA-O 3.46Å; M366-C374 HydrophobicContact CG-CB 4.42Å; M366-C374 PolarHBondContact N-O 3.39Å; M366-C374 PolarHBondContact O-N 3.35Å
375C96.3Very high90.9Very high0 Ų039.9 Ų39.90%027%0.266CS..EExtended strand (participates in β ladder)trans-96.7114.5177.2-171.70000109.5N291 V292 V294 A306 F364 I365N291-C375 CarbonylContact C-O 3.55Å; N291-C375 WeakPolarHBondContact CA-O 3.31Å; N291-C375 WeakPolarHBondContact CB-O 3.42Å; V292-C375 HydrophobicContact CG2-CB 4.19Å; V292-C375 PolarHBondContact N-O 3.44Å; V292-C375 PolarHBondContact O-N 2.86Å; V294-C375 HydrophobicContact CG1-CB 3.66Å; V294-C375 HydrophobicContact CG2-CB 4.25Å; A306-C375 HydrophobicContact CB-CB 4.33Å; F364-C375 CarbonylContact O-C 3.56Å; F364-C375 VanDerWaalsContact O-CA 3.32Å; F364-C375 WeakPolarHBondContact O-CA 3.25Å; I365-C375 HydrophobicContact CG1-CB 4.3Å
376H97.3Very high90.7Very high15 Ų1543.2 Ų43.27%0.06929%0.289CS..EExtended strand (participates in β ladder)trans-93.1137.5171.7-68.8-102000109.9Y288 N291 A363 F364 M366 F378Y288-H376 HydrophobicContact CE2-CB 4.41Å; Y288-H376 AromaticContact CZ-ND1 3.9Å; Y288-H376 PolarHBondContact OH-ND1 3.03Å; N291-H376 HydrophobicContact CB-CB 4.5Å; A363-H376 CarbonylContact C-O 3.57Å; A363-H376 WeakPolarHBondContact CA-O 3.26Å; A363-H376 WeakPolarHBondContact CB-O 3.27Å; F364-H376 HydrophobicContact CD2-CB 4.11Å; F364-H376 HydrophobicContact CE1-CB 4.35Å; F364-H376 HydrophobicContact CE2-CB 3.65Å; F364-H376 AromaticContact CE2-CD2 3.72Å; F364-H376 AromaticContact CE2-CG 3.78Å; F364-H376 HydrophobicContact CZ-CB 3.78Å; F364-H376 PolarHBondContact N-O 3.32Å; F364-H376 PolarHBondContact O-N 3.36Å; M366-H376 PolarHBondContact SD-NE2 3.06Å; M366-H376 VanDerWaalsContact SD-NE2 3.44Å; H376-F378 HydrophobicContact CB-CE2 3.89Å; H376-F378 HydrophobicContact CB-CZ 4.01Å
377M97.1Very high90.7Very high0 Ų042.2 Ų42.20%028%0.284CS..EExtended strand (participates in β ladder)trans-131.4142.7-168.6-67.1166.7-70.400112.2Y288 L289 G290 V292 A306 L307 V310 A363Y288-M377 VanDerWaalsContact CD2-O 3.3Å; Y288-M377 WeakPolarHBondContact CD2-O 3.25Å; L289-M377 HydrophobicContact CB-CB 3.9Å; L289-M377 WeakPolarHBondContact CB-O 3.4Å; L289-M377 HydrophobicContact CD1-CB 4.2Å; L289-M377 PolarHBondContact N-O 2.91Å; G290-M377 PolarHBondContact O-N 2.83Å; V292-M377 HydrophobicContact CB-CE 4.33Å; V292-M377 HydrophobicContact CG1-CE 3.93Å; V292-M377 HydrophobicContact CG2-CE 3.71Å; A306-M377 HydrophobicContact CB-SD 3.71Å; L307-M377 HydrophobicContact CD2-CB 3.78Å; L307-M377 HydrophobicContact CD2-CG 3.71Å; L307-M377 HydrophobicContact CD2-SD 4.04Å; L307-M377 HydrophobicContact CG-CG 4.16Å; L307-M377 HydrophobicContact CG-SD 4.19Å; V310-M377 HydrophobicContact CG2-CE 3.63Å; V310-M377 HydrophobicContact CG2-SD 4.15Å; A363-M377 HydrophobicContact CB-CG 3.89Å
378F97.3Very high90.9Very high0 Ų041.4 Ų41.40%028%0.277CS..EExtended strand (participates in β ladder)trans-142.2147.7-171.5-49.7-91.5000111.1V286 Y287 Y288 V324 I333 F362 F364 H376V286-F378 HydrophobicContact CG2-CD1 3.99Å; Y287-F378 CarbonylContact O-C 3.52Å; Y287-F378 WeakPolarHBondContact O-CA 3.21Å; Y288-F378 AromaticContact CD2-CD1 3.81Å; Y288-F378 HydrophobicContact CD2-CD1 3.81Å; Y288-F378 AromaticContact CD2-CE1 3.51Å; Y288-F378 HydrophobicContact CD2-CE1 3.51Å; Y288-F378 HydrophobicContact CD2-CZ 4.13Å; Y288-F378 AromaticContact CE2-CE1 3.97Å; Y288-F378 HydrophobicContact CE2-CE1 3.97Å; Y288-F378 HydrophobicContact CE2-CZ 4.16Å; Y288-F378 HydrophobicContact CG-CE1 4.41Å; V324-F378 HydrophobicContact CG2-CD1 3.8Å; V324-F378 HydrophobicContact CG2-CE1 3.52Å; V324-F378 HydrophobicContact CG2-CZ 4.27Å; I333-F378 HydrophobicContact CD1-CE1 3.82Å; I333-F378 HydrophobicContact CD1-CZ 3.67Å; I333-F378 HydrophobicContact CG1-CE1 4.04Å; I333-F378 HydrophobicContact CG1-CZ 4.12Å; I333-F378 HydrophobicContact CG2-CE1 4.15Å; F362-F378 HydrophobicContact CB-CB 4.4Å; F362-F378 AromaticContact CD1-CD2 3.79Å; F362-F378 HydrophobicContact CD1-CD2 3.79Å; F362-F378 HydrophobicContact CD1-CE2 4.45Å; F362-F378 HydrophobicContact CD1-CG 4.46Å; F362-F378 HydrophobicContact CE1-CD2 4.46Å; F362-F378 PolarHBondContact N-O 2.76Å; F362-F378 PolarHBondContact O-N 2.84Å; F364-F378 AromaticContact CD1-CE2 3.89Å; F364-F378 HydrophobicContact CD1-CE2 3.89Å; F364-F378 AromaticContact CE1-CE2 3.41Å; F364-F378 HydrophobicContact CE1-CE2 3.41Å; F364-F378 VanDerWaalsContact CE1-CE2 3.41Å; F364-F378 AromaticContact CE1-CZ 3.72Å; F364-F378 HydrophobicContact CE1-CZ 3.72Å; F364-F378 HydrophobicContact CZ-CE2 4.05Å; F364-F378 HydrophobicContact CZ-CZ 4.03Å; H376-F378 HydrophobicContact CB-CE2 3.89Å; H376-F378 HydrophobicContact CB-CZ 4.01Å
379W96.3Very high91.1Very high22 Ų2244.4 Ų44.48%0.08328%0.279CS..EExtended strand (participates in β ladder)trans-109126.6165.8-175.5-78.2000109.9V286 Y287 L289 L311 W319 D358 H360 T361 E381V286-W379 CarbonylContact C-O 3.57Å; V286-W379 WeakPolarHBondContact CA-O 3.37Å; V286-W379 WeakPolarHBondContact CB-O 3.34Å; Y287-W379 PolarHBondContact N-O 2.99Å; Y287-W379 PolarHBondContact O-N 3.03Å; L289-W379 HydrophobicContact CD1-CB 4.48Å; L289-W379 HydrophobicContact CD2-CB 4.23Å; L311-W379 HydrophobicContact CD2-CE3 4.28Å; L311-W379 HydrophobicContact CD2-CZ3 4.44Å; W319-W379 HydrophobicContact CE3-CB 3.95Å; W319-W379 HydrophobicContact CE3-CD2 4.45Å; W319-W379 HydrophobicContact CE3-CG 4.07Å; W319-W379 AromaticContact CH2-CD2 3.86Å; W319-W379 HydrophobicContact CH2-CD2 3.86Å; W319-W379 AromaticContact CH2-CE3 3.58Å; W319-W379 HydrophobicContact CH2-CE3 3.58Å; W319-W379 HydrophobicContact CH2-CG 4.34Å; W319-W379 HydrophobicContact CH2-CZ3 4.06Å; W319-W379 HydrophobicContact CZ3-CB 3.79Å; W319-W379 AromaticContact CZ3-CD2 3.43Å; W319-W379 HydrophobicContact CZ3-CD2 3.43Å; W319-W379 VanDerWaalsContact CZ3-CD2 3.43Å; W319-W379 AromaticContact CZ3-CE3 3.66Å; W319-W379 HydrophobicContact CZ3-CE3 3.66Å; W319-W379 AromaticContact CZ3-CG 3.48Å; W319-W379 HydrophobicContact CZ3-CG 3.48Å; W319-W379 VanDerWaalsContact CZ3-CG 3.48Å; W319-W379 HydrophobicContact CZ3-CZ3 4.47Å; D358-W379 WeakPolarHBondContact OD2-CH2 3.49Å; H360-W379 HydrophobicContact CB-CD2 3.88Å; H360-W379 VanDerWaalsContact CB-CE2 3.45Å; H360-W379 HydrophobicContact CB-CE3 4.23Å; H360-W379 HydrophobicContact CB-CH2 3.79Å; H360-W379 HydrophobicContact CB-CZ2 3.41Å; H360-W379 VanDerWaalsContact CB-CZ2 3.41Å; H360-W379 HydrophobicContact CB-CZ3 4.19Å; H360-W379 AromaticContact CG-CE2 3.98Å; H360-W379 AromaticContact CG-CZ2 3.55Å; H360-W379 AromaticContact ND1-CZ2 3.85Å; T361-W379 HydrophobicContact CG2-CE3 3.76Å; T361-W379 HydrophobicContact CG2-CZ3 3.76Å; W379-E381 PolarHBondContact NE1-OE1 3.34Å
380C94.2Very high91.6Very high3 Ų343.2 Ų43.22%0.0227%0.266CS..EExtended strand (participates in β ladder)trans-119.7129.3-169.8-57.50000110.8V286 H360 N383 A384V286-C380 HydrophobicContact CG1-CB 4.27Å; V286-C380 VanDerWaalsContact CG1-SG 3.52Å; H360-C380 WeakPolarHBondContact CB-O 3.49Å; H360-C380 PolarHBondContact O-N 2.77Å; C380-N383 VanDerWaalsContact CB-O 3.31Å; C380-N383 WeakPolarHBondContact CB-O 3.09Å; C380-N383 CarbonylContact O-C 3.54Å; C380-N383 WeakPolarHBondContact O-CA 3.45Å; C380-N383 PolarHBondContact O-N 3.02Å; C380-A384 HydrophobicContact CB-CB 4.23Å
381E89.6Confident92.3Very high92 Ų9236.7 Ų36.743%0.4322%0.224SC..SBendtrans-111.4135.1176.8-67.4-68.2171.300109.6R316 H360 W379 N383R316-E381 IonicContact CZ-OE1 2.84Å; R316-E381 IonicContact NH1-OE1 3.77Å; R316-E381 IonicContact NH2-OE1 3.75Å; R316-E381 PolarHBondContact NH2-OE1 3.44Å; H360-E381 IonicContact CD2-OE2 3.31Å; W379-E381 PolarHBondContact NE1-OE1 3.34Å; E381-N383 VanDerWaalsContact C-N 3.33Å
382P89.6Confident92.4Very high102 Ų10235.5 Ų35.566%0.66220%0.202SC*.SBendcis-82.5-0.6-1.135.8-37.4000114H360H360-P382 PolarHBondContact CD2-O 2.88Å; H360-P382 PolarHBondContact NE2-O 3.38Å
383N92.5Very high92.1Very high58 Ų5834.3 Ų34.331%0.3120%0.196SC..  trans-173.2176.4167.855.979.7000109.8V359 C380 E381 A385V359-N383 HydrophobicContact CB-CB 4.43Å; V359-N383 HydrophobicContact CG2-CB 4.35Å; V359-N383 WeakPolarHBondContact O-CB 3.41Å; C380-N383 VanDerWaalsContact CB-O 3.31Å; C380-N383 WeakPolarHBondContact CB-O 3.09Å; C380-N383 CarbonylContact O-C 3.54Å; C380-N383 WeakPolarHBondContact O-CA 3.45Å; C380-N383 PolarHBondContact O-N 3.02Å; E381-N383 VanDerWaalsContact C-N 3.33Å; N383-A385 PolarHBondContact O-N 2.68Å; N383-A385 WeakPolarHBondContact OD1-CB 3.32Å; N383-A385 PolarHBondContact OD1-N 3.05Å
384A92Very high91.8Very high0 Ų032.9 Ų32.90%019%0.19CC..SBendtrans-74.4-12.3-17800000116.1V355 V359 F362 C380 S386 L387 S388V355-A384 HydrophobicContact CB-CB 4.46Å; V355-A384 HydrophobicContact CG1-CB 3.96Å; V355-A384 HydrophobicContact CG2-CB 3.73Å; V359-A384 VanDerWaalsContact O-CB 3.27Å; V359-A384 WeakPolarHBondContact O-CB 3.44Å; V359-A384 PolarHBondContact O-N 3.43Å; F362-A384 HydrophobicContact CB-CB 3.92Å; C380-A384 HydrophobicContact CB-CB 4.23Å; A384-S386 PolarHBondContact O-N 2.84Å; A384-L387 PolarHBondContact O-N 3.13Å; A384-S388 VanDerWaalsContact O-CB 3.26Å; A384-S388 WeakPolarHBondContact O-CB 3.49Å; A384-S388 PolarHBondContact O-N 2.87Å; A384-S388 PolarHBondContact O-OG 3.44Å
385A85.9Confident91.3Very high48 Ų4833.6 Ų33.640%0.39720%0.195SC..Hα-helixtrans-53.7-56-162.800000113.2N383 L387 S388 E389N383-A385 PolarHBondContact O-N 2.68Å; N383-A385 WeakPolarHBondContact OD1-CB 3.32Å; N383-A385 PolarHBondContact OD1-N 3.05Å; A385-L387 PolarHBondContact O-N 3.38Å; A385-S388 PolarHBondContact O-N 2.82Å; A385-S388 VanDerWaalsContact O-N 3.14Å; A385-S388 PolarHBondContact O-OG 3.04Å; A385-E389 WeakPolarHBondContact O-CB 3.44Å; A385-E389 PolarHBondContact O-N 3.35Å
386S89.4Confident90.7Very high70 Ų7038.5 Ų38.549%0.4922%0.219SC..Hα-helixtrans-65.8-39.1-173.2-48.90000114.1A384 A390A384-S386 PolarHBondContact O-N 2.84Å; S386-A390 WeakPolarHBondContact O-CB 3.23Å; S386-A390 PolarHBondContact O-N 3.19Å
387L92.6Very high89.9Confident6 Ų642.4 Ų42.43%0.03124%0.24CC..Hα-helixtrans-66.1-43.5173.1172.659.5000110.2F284 V286 V324 V326 F362 A384 A385 E389 A390 V391F284-L387 HydrophobicContact CB-CB 4.3Å; F284-L387 HydrophobicContact CB-CD1 4.18Å; F284-L387 HydrophobicContact CD1-CB 4.26Å; F284-L387 HydrophobicContact CD2-CB 4.39Å; F284-L387 HydrophobicContact CD2-CD1 3.58Å; F284-L387 HydrophobicContact CE2-CD1 4.23Å; F284-L387 HydrophobicContact CG-CB 4.04Å; F284-L387 HydrophobicContact CG-CD1 3.96Å; V286-L387 HydrophobicContact CG1-CD2 3.85Å; V324-L387 HydrophobicContact CB-CD1 4.05Å; V324-L387 HydrophobicContact CB-CD2 4.46Å; V324-L387 HydrophobicContact CG1-CD1 3.76Å; V324-L387 HydrophobicContact CG2-CD2 4.42Å; V326-L387 HydrophobicContact CG2-CD1 3.8Å; F362-L387 HydrophobicContact CD1-CD2 3.56Å; F362-L387 HydrophobicContact CD1-CG 3.87Å; F362-L387 HydrophobicContact CE1-CD2 3.94Å; F362-L387 HydrophobicContact CE1-CG 3.83Å; F362-L387 HydrophobicContact CG-CD2 4.4Å; A384-L387 PolarHBondContact O-N 3.13Å; A385-L387 PolarHBondContact O-N 3.38Å; L387-E389 PolarHBondContact O-N 2.99Å; L387-A390 PolarHBondContact O-N 2.9Å; L387-V391 HydrophobicContact CD1-CG2 3.97Å; L387-V391 WeakPolarHBondContact O-CG2 3.36Å; L387-V391 PolarHBondContact O-N 2.76Å
388S92Very high89Confident12 Ų1246 Ų468%0.08425%0.253CS..Hα-helixtrans-62.8-43.9-178.384.80000111.4W12 F362 A384 A385 V391 Q392W12-S388 VanDerWaalsContact CH2-O 3.25Å; W12-S388 WeakPolarHBondContact CH2-O 3.36Å; W12-S388 WeakPolarHBondContact CZ2-O 3.44Å; F362-S388 VanDerWaalsContact CE2-CA 3.49Å; A384-S388 VanDerWaalsContact O-CB 3.26Å; A384-S388 WeakPolarHBondContact O-CB 3.49Å; A384-S388 PolarHBondContact O-N 2.87Å; A384-S388 PolarHBondContact O-OG 3.44Å; A385-S388 PolarHBondContact O-N 2.82Å; A385-S388 VanDerWaalsContact O-N 3.14Å; A385-S388 PolarHBondContact O-OG 3.04Å; S388-V391 PolarHBondContact O-N 3.48Å; S388-Q392 PolarHBondContact O-N 2.75Å
389E87.8Confident88Confident132 Ų13253.2 Ų53.262%0.61728%0.282SS*.Hα-helixtrans-63.2-44.8175.4-178.5177.7-166.800112.2A385 L387 V391 Q392 A393A385-E389 WeakPolarHBondContact O-CB 3.44Å; A385-E389 PolarHBondContact O-N 3.35Å; L387-E389 PolarHBondContact O-N 2.99Å; E389-V391 VanDerWaalsContact C-N 3.34Å; E389-V391 PolarHBondContact O-N 3.06Å; E389-Q392 WeakPolarHBondContact O-CA 3.44Å; E389-Q392 VanDerWaalsContact O-CB 3.25Å; E389-Q392 WeakPolarHBondContact O-CB 3.28Å; E389-Q392 PolarHBondContact O-N 2.64Å; E389-Q392 VanDerWaalsContact O-N 3.11Å; E389-A393 PolarHBondContact O-N 3.1Å
390A90.8Very high86.8Confident5 Ų556.7 Ų56.74%0.04130%0.299CS..Hα-helixtrans-64-38.5178.300000112.6F284 V326 S386 L387 A393 A394F284-A390 HydrophobicContact CE2-CB 3.45Å; F284-A390 VanDerWaalsContact CE2-CB 3.45Å; F284-A390 HydrophobicContact CZ-CB 3.4Å; F284-A390 VanDerWaalsContact CZ-CB 3.4Å; V326-A390 HydrophobicContact CG1-CB 4.21Å; V326-A390 HydrophobicContact CG2-CB 4.38Å; S386-A390 WeakPolarHBondContact O-CB 3.23Å; S386-A390 PolarHBondContact O-N 3.19Å; L387-A390 PolarHBondContact O-N 2.9Å; A390-A393 PolarHBondContact O-N 2.89Å; A390-A394 PolarHBondContact O-N 3.46Å
391V93.5Very high85.9Confident0 Ų062.7 Ų62.70%033%0.325CS..Hα-helixtrans-68.1-36.9172.4178.40000110.9V326 L331 L350 L353 F362 L387 S388 E389 A393 A394 C395V326-V391 HydrophobicContact CG2-CG2 4.03Å; L331-V391 HydrophobicContact CD1-CG1 3.95Å; L331-V391 HydrophobicContact CD1-CG2 3.94Å; L331-V391 HydrophobicContact CD2-CG2 4.11Å; L350-V391 HydrophobicContact CD1-CG1 4.16Å; L353-V391 HydrophobicContact CD1-CG1 4.28Å; L353-V391 HydrophobicContact CD2-CG1 3.71Å; F362-V391 HydrophobicContact CE1-CG2 4.2Å; F362-V391 HydrophobicContact CZ-CB 4.11Å; F362-V391 HydrophobicContact CZ-CG1 4.4Å; F362-V391 HydrophobicContact CZ-CG2 4.11Å; L387-V391 HydrophobicContact CD1-CG2 3.97Å; L387-V391 WeakPolarHBondContact O-CG2 3.36Å; L387-V391 PolarHBondContact O-N 2.76Å; S388-V391 PolarHBondContact O-N 3.48Å; E389-V391 VanDerWaalsContact C-N 3.34Å; E389-V391 PolarHBondContact O-N 3.06Å; V391-A393 PolarHBondContact O-N 3.2Å; V391-A394 PolarHBondContact O-N 3.33Å; V391-C395 PolarHBondContact O-N 3.13Å; V391-C395 PolarHBondContact O-SG 2.94Å; V391-C395 VanDerWaalsContact O-SG 3.35Å
392Q86.9Confident85Confident69 Ų6962 Ų6232%0.32233%0.329SS..Hα-helixtrans-57.4-49.7171.1-156.1176.3-52.200111.2W12 S388 E389 A394 C395 M396W12-Q392 HydrophobicContact CH2-CB 3.5Å; W12-Q392 HydrophobicContact CH2-CG 3.77Å; W12-Q392 HydrophobicContact CZ2-CB 4.47Å; W12-Q392 HydrophobicContact CZ3-CB 3.92Å; W12-Q392 HydrophobicContact CZ3-CG 3.66Å; S388-Q392 PolarHBondContact O-N 2.75Å; E389-Q392 WeakPolarHBondContact O-CA 3.44Å; E389-Q392 VanDerWaalsContact O-CB 3.25Å; E389-Q392 WeakPolarHBondContact O-CB 3.28Å; E389-Q392 PolarHBondContact O-N 2.64Å; E389-Q392 VanDerWaalsContact O-N 3.11Å; Q392-A394 VanDerWaalsContact C-N 3.35Å; Q392-A394 PolarHBondContact O-N 2.85Å; Q392-C395 WeakPolarHBondContact O-CB 3.28Å; Q392-C395 PolarHBondContact O-N 3.39Å; Q392-M396 HydrophobicContact CB-CE 4.45Å; Q392-M396 HydrophobicContact CG-CE 4.02Å; Q392-M396 HydrophobicContact CG-CG 4.47Å; Q392-M396 HydrophobicContact CG-SD 4.22Å; Q392-M396 WeakPolarHBondContact O-CG 3.32Å; Q392-M396 PolarHBondContact O-N 2.96Å
393A85Confident83.9Confident33 Ų3359.5 Ų59.527%0.27331%0.31SS..Hα-helixtrans-60.9-42.1-179.300000111.9E389 A390 V391 C395 M396 L397E389-A393 PolarHBondContact O-N 3.1Å; A390-A393 PolarHBondContact O-N 2.89Å; V391-A393 PolarHBondContact O-N 3.2Å; A393-C395 PolarHBondContact O-N 3.29Å; A393-M396 PolarHBondContact O-N 2.69Å; A393-L397 WeakPolarHBondContact O-CB 3.34Å; A393-L397 VanDerWaalsContact O-CG 3.25Å; A393-L397 WeakPolarHBondContact O-CG 3.41Å; A393-L397 PolarHBondContact O-N 3.47Å
394A86.6Confident82.7Confident5 Ų559.9 Ų59.94%0.04131%0.312CS..Hα-helixtrans-60.4-44.4174.200000112.2V326 V347 A390 V391 Q392 R398V326-A394 HydrophobicContact CG1-CB 4.1Å; V347-A394 HydrophobicContact CG2-CB 4.27Å; A390-A394 PolarHBondContact O-N 3.46Å; V391-A394 PolarHBondContact O-N 3.33Å; Q392-A394 VanDerWaalsContact C-N 3.35Å; Q392-A394 PolarHBondContact O-N 2.85Å; A394-R398 WeakPolarHBondContact O-CB 3.12Å; A394-R398 PolarHBondContact O-N 3.44Å
395C85.4Confident81.3Confident33 Ų3362.6 Ų62.622%0.22333%0.334CS..Hα-helixtrans-61.9-46.5174.8-70.10000112.5L350 V391 Q392 A393 R398 Y399L350-C395 VanDerWaalsContact CD1-SG 3.56Å; V391-C395 PolarHBondContact O-N 3.13Å; V391-C395 PolarHBondContact O-SG 2.94Å; V391-C395 VanDerWaalsContact O-SG 3.35Å; Q392-C395 WeakPolarHBondContact O-CB 3.28Å; Q392-C395 PolarHBondContact O-N 3.39Å; A393-C395 PolarHBondContact O-N 3.29Å; C395-R398 PolarHBondContact O-N 2.95Å; C395-Y399 PolarHBondContact O-N 3.12Å
396M82.6Confident79.9Confident103 Ų10368.5 Ų68.551%0.50735%0.347SS..Hα-helixtrans-65.4-46.5-179.7-68.6-173.8-58.600112.1Q392 A393 R398 Y399 Q400Q392-M396 HydrophobicContact CB-CE 4.45Å; Q392-M396 HydrophobicContact CG-CE 4.02Å; Q392-M396 HydrophobicContact CG-CG 4.47Å; Q392-M396 HydrophobicContact CG-SD 4.22Å; Q392-M396 WeakPolarHBondContact O-CG 3.32Å; Q392-M396 PolarHBondContact O-N 2.96Å; A393-M396 PolarHBondContact O-N 2.69Å; M396-R398 PolarHBondContact O-N 2.9Å; M396-Y399 PolarHBondContact O-N 2.71Å; M396-Q400 PolarHBondContact O-N 3.45Å
397L81.1Confident77.8Confident97 Ų9768.1 Ų68.151%0.50834%0.344SS..Hα-helixtrans-60.1-35.9175.3-73.4170.6000112.1A393 K401A393-L397 WeakPolarHBondContact O-CB 3.34Å; A393-L397 VanDerWaalsContact O-CG 3.25Å; A393-L397 WeakPolarHBondContact O-CG 3.41Å; A393-L397 PolarHBondContact O-N 3.47Å; L397-K401 WeakPolarHBondContact O-CG 3.34Å; L397-K401 PolarHBondContact O-N 3.35Å
398R78.3Confident75.5Confident75 Ų7574.4 Ų74.428%0.28337%0.373SS..Hα-helixtrans-68.9-43.7175-172.2173.5-165.6105.117.2112.1A329 V347 A394 C395 M396 K401 C402A329-R398 PolarHBondContact O-NH1 3.14Å; V347-R398 HydrophobicContact CG1-CB 4.1Å; A394-R398 WeakPolarHBondContact O-CB 3.12Å; A394-R398 PolarHBondContact O-N 3.44Å; C395-R398 PolarHBondContact O-N 2.95Å; M396-R398 PolarHBondContact O-N 2.9Å; R398-K401 PolarHBondContact O-N 2.92Å; R398-C402 PolarHBondContact O-N 3.46Å; R398-C402 PolarHBondContact O-SG 3.42Å; R398-C402 VanDerWaalsContact O-SG 3.36Å
399Y75.1Confident73.2Confident153 Ų15378.3 Ų78.360%0.640%0.396SS*.Hα-helixtrans-61.8-45.2176.9178.1-110.5000111.6C395 M396 K401 C402 L403C395-Y399 PolarHBondContact O-N 3.12Å; M396-Y399 PolarHBondContact O-N 2.71Å; Y399-K401 PolarHBondContact O-N 2.95Å; Y399-C402 WeakPolarHBondContact O-CB 3.28Å; Y399-C402 PolarHBondContact O-N 3.08Å; Y399-C402 VanDerWaalsContact O-N 3.09Å; Y399-L403 HydrophobicContact CD1-CD1 4.15Å; Y399-L403 HydrophobicContact CE1-CD1 3.56Å; Y399-L403 HydrophobicContact CE1-CG 4.16Å; Y399-L403 HydrophobicContact CE2-CD2 4.38Å; Y399-L403 HydrophobicContact CE2-CG 4.46Å; Y399-L403 PolarHBondContact O-N 3Å; Y399-L403 VanDerWaalsContact O-N 3.08Å
400Q72.4Confident71.2Confident94 Ų9476.6 Ų76.644%0.43940%0.399SS..Hα-helixtrans-58.3-48.7177.3-171.958.645.800111.8M396 C402 L403 D404M396-Q400 PolarHBondContact O-N 3.45Å; Q400-C402 PolarHBondContact O-N 3.22Å; Q400-C402 VanDerWaalsContact O-N 3.16Å; Q400-L403 WeakPolarHBondContact O-CA 3.4Å; Q400-L403 WeakPolarHBondContact O-CB 3.33Å; Q400-L403 PolarHBondContact O-N 3.3Å; Q400-D404 PolarHBondContact NE2-OD1 3.41Å; Q400-D404 VanDerWaalsContact O-CG 3.26Å; Q400-D404 PolarHBondContact O-N 3.31Å
401K74.1Confident69Low129 Ų12982 Ų8256%0.56143%0.431SS*.Hα-helixtrans-56.9-32.3175.8-74.6175.3179.2-179.90113.3L397 R398 Y399 A405L397-K401 WeakPolarHBondContact O-CG 3.34Å; L397-K401 PolarHBondContact O-N 3.35Å; R398-K401 PolarHBondContact O-N 2.92Å; Y399-K401 PolarHBondContact O-N 2.95Å; K401-A405 WeakPolarHBondContact O-CB 3.24Å; K401-A405 PolarHBondContact O-N 3.42Å; K401-A405 VanDerWaalsContact O-N 3.14Å
402C70.6Confident66.2Low77 Ų7785.1 Ų85.152%0.5245%0.453SS..Hα-helixtrans-73.2-34.3174.3-67.10000112.8R398 Y399 Q400 R406R398-C402 PolarHBondContact O-N 3.46Å; R398-C402 PolarHBondContact O-SG 3.42Å; R398-C402 VanDerWaalsContact O-SG 3.36Å; Y399-C402 WeakPolarHBondContact O-CB 3.28Å; Y399-C402 PolarHBondContact O-N 3.08Å; Y399-C402 VanDerWaalsContact O-N 3.09Å; Q400-C402 PolarHBondContact O-N 3.22Å; Q400-C402 VanDerWaalsContact O-N 3.16Å; C402-R406 WeakPolarHBondContact O-CB 3.28Å; C402-R406 PolarHBondContact O-N 2.82Å
403L68.1Low63.9Low50 Ų5087.8 Ų87.826%0.26248%0.478SS..Hα-helixtrans-69.5-44.5173.1-65.8-177.5000111.6Y399 Q400 A405 R406 S407Y399-L403 HydrophobicContact CD1-CD1 4.15Å; Y399-L403 HydrophobicContact CE1-CD1 3.56Å; Y399-L403 HydrophobicContact CE1-CG 4.16Å; Y399-L403 HydrophobicContact CE2-CD2 4.38Å; Y399-L403 HydrophobicContact CE2-CG 4.46Å; Y399-L403 PolarHBondContact O-N 3Å; Y399-L403 VanDerWaalsContact O-N 3.08Å; Q400-L403 WeakPolarHBondContact O-CA 3.4Å; Q400-L403 WeakPolarHBondContact O-CB 3.33Å; Q400-L403 PolarHBondContact O-N 3.3Å; L403-A405 PolarHBondContact O-N 3.1Å; L403-R406 PolarHBondContact O-N 2.93Å; L403-R406 VanDerWaalsContact O-N 3.09Å; L403-S407 PolarHBondContact O-N 2.89Å
404D67.1Low61.5Low67 Ų6793.6 Ų93.636%0.35850%0.504SS..Hα-helixtrans-64.1-41.1-179.3-60.7-29.2000111.9Q400 R406 S407 Q408Q400-D404 PolarHBondContact NE2-OD1 3.41Å; Q400-D404 VanDerWaalsContact O-CG 3.26Å; Q400-D404 PolarHBondContact O-N 3.31Å; D404-R406 VanDerWaalsContact C-N 3.29Å; D404-R406 PolarHBondContact O-N 2.88Å; D404-S407 PolarHBondContact O-N 3.37Å; D404-S407 PolarHBondContact O-OG 3.16Å; D404-Q408 WeakPolarHBondContact O-CG 3.11Å; D404-Q408 PolarHBondContact O-N 3.33Å; D404-Q408 VanDerWaalsContact O-N 3.12Å
405A62.4Low59.1Low56 Ų5699 Ų9946%0.46354%0.538SS..Hα-helixtrans-61.2-39.1172.500000111.8K401 L403 T409K401-A405 WeakPolarHBondContact O-CB 3.24Å; K401-A405 PolarHBondContact O-N 3.42Å; K401-A405 VanDerWaalsContact O-N 3.14Å; L403-A405 PolarHBondContact O-N 3.1Å; A405-T409 PolarHBondContact O-N 2.82Å; A405-T409 PolarHBondContact O-OG1 2.9Å
406R56.3Low56.8Low173 Ų173101.8 Ų101.865%0.65356%0.564SS**Hα-helixtrans-74.1-33.6-179.3-161.6174.672.2-171.82.6112.8C402 L403 D404 T409 S410C402-R406 WeakPolarHBondContact O-CB 3.28Å; C402-R406 PolarHBondContact O-N 2.82Å; L403-R406 PolarHBondContact O-N 2.93Å; L403-R406 VanDerWaalsContact O-N 3.09Å; D404-R406 VanDerWaalsContact C-N 3.29Å; D404-R406 PolarHBondContact O-N 2.88Å; R406-T409 WeakPolarHBondContact CA-OG1 3.31Å; R406-T409 PolarHBondContact O-N 2.8Å; R406-T409 PolarHBondContact O-OG1 3.23Å; R406-S410 PolarHBondContact O-N 2.64Å
407S45.7Very low54.6Low62 Ų62102.2 Ų102.243%0.43457%0.574SS.*Hα-helixtrans-68.7-40.3174.567.90000111.3L403 D404 T409 S410L403-S407 PolarHBondContact O-N 2.89Å; D404-S407 PolarHBondContact O-N 3.37Å; D404-S407 PolarHBondContact O-OG 3.16Å; S407-T409 VanDerWaalsContact C-N 3.33Å; S407-T409 PolarHBondContact O-N 2.82Å; S407-S410 WeakPolarHBondContact O-CB 3.33Å; S407-S410 PolarHBondContact O-N 2.92Å; S407-S410 PolarHBondContact O-OG 2.99Å
408Q44.6Very low52.6Low137 Ų137103.4 Ų103.464%0.6459%0.588SS**Hα-helixtrans-60.8-39173.3-70.7-179.711.400112.4D404 S410 T411 S412D404-Q408 WeakPolarHBondContact O-CG 3.11Å; D404-Q408 PolarHBondContact O-N 3.33Å; D404-Q408 VanDerWaalsContact O-N 3.12Å; Q408-S410 PolarHBondContact O-N 3.41Å; Q408-T411 PolarHBondContact O-N 2.98Å; Q408-S412 PolarHBondContact O-N 2.81Å; Q408-S412 VanDerWaalsContact O-N 3.15Å; Q408-S412 PolarHBondContact O-OG 3.2Å
409T43.3Very low50.8Low94 Ų94104.8 Ų104.858%0.57762%0.616SS**Hα-helixtrans-68.3-11.4173.653.40000114.9A405 R406 S407 S412A405-T409 PolarHBondContact O-N 2.82Å; A405-T409 PolarHBondContact O-OG1 2.9Å; R406-T409 WeakPolarHBondContact CA-OG1 3.31Å; R406-T409 PolarHBondContact O-N 2.8Å; R406-T409 PolarHBondContact O-OG1 3.23Å; S407-T409 VanDerWaalsContact C-N 3.33Å; S407-T409 PolarHBondContact O-N 2.82Å; T409-S412 WeakPolarHBondContact CA-OG 3.23Å; T409-S412 PolarHBondContact O-OG 2.74Å
410S46.1Very low49.4Very low96 Ų96106 Ų10667%0.67163%0.627SS**Hα-helixtrans-88.2-15.8177.474.70000114.1R406 S407 Q408R406-S410 PolarHBondContact O-N 2.64Å; S407-S410 WeakPolarHBondContact O-CB 3.33Å; S407-S410 PolarHBondContact O-N 2.92Å; S407-S410 PolarHBondContact O-OG 2.99Å; Q408-S410 PolarHBondContact O-N 3.41Å
411T43.1Very low47.7Very low118 Ų118106.9 Ų106.972%0.72464%0.643SS**Hα-helixtrans-115-9.5176.650.70000113.7Q408 C413Q408-T411 PolarHBondContact O-N 2.98Å; T411-C413 PolarHBondContact O-N 2.99Å
412S36.1Very low46.4Very low66 Ų66108.2 Ų108.246%0.46266%0.662SS.*SBendtrans-71.5113.4170.161.40000111.4Q408 T409 L414Q408-S412 PolarHBondContact O-N 2.81Å; Q408-S412 VanDerWaalsContact O-N 3.15Å; Q408-S412 PolarHBondContact O-OG 3.2Å; T409-S412 WeakPolarHBondContact CA-OG 3.23Å; T409-S412 PolarHBondContact O-OG 2.74Å; S412-L414 PolarHBondContact O-N 3.47Å
413C38.6Very low44.8Very low125 Ų125109.1 Ų109.185%0.84568%0.675SS**PPolyproline II helixtrans-57.5118.8173.1-52.40000110.6T411T411-C413 PolarHBondContact O-N 2.99Å
414L33.5Very low44Very low155 Ų155117.6 Ų117.681%0.81270%0.703SS**PPolyproline II helixtrans-63.1133.6172.3-65.5175.7000109.5S412 A416S412-L414 PolarHBondContact O-N 3.47Å; L414-A416 PolarHBondContact O-N 3.1Å
415P37.4Very low43.2Very low118 Ų118125.5 Ų125.577%0.76673%0.728SS**PPolyproline II helixtrans-60.9138.8165.227.8-33.2000108.7
416A36.8Very low42.4Very low92 Ų92129.5 Ų129.576%0.7675%0.747SS**PPolyproline II helixtrans-61136.8-179.600000110.5L414L414-A416 PolarHBondContact O-N 3.1Å
417P36.8Very low41.7Very low112 Ų112124.9 Ų124.973%0.72775%0.753SS**PPolyproline II helixtrans-63.7150.7177.627.3-34.7000110.9
418P37.7Very low41.4Very low123 Ų123132.9 Ų132.980%0.79977%0.774SS**PPolyproline II helixtrans-58.5147.9178.225.5-34.4000111.4E420P418-E420 VanDerWaalsContact C-N 3.28Å; P418-E420 PolarHBondContact O-N 3.46Å
419A41.6Very low41.6Very low104 Ų104132.4 Ų132.486%0.8678%0.78SS**SBendtrans-81.950.8-159.800000115.3
420E44.3Very low41.7Very low179 Ų179134.4 Ų134.484%0.83679%0.792SS**  trans-156.194.5170.4-126.1168.1-135.400113.4P418P418-E420 VanDerWaalsContact C-N 3.28Å; P418-E420 PolarHBondContact O-N 3.46Å
421S38.2Very low41.7Very low112 Ų112141.6 Ų141.678%0.78380%0.804SS**  trans-179.994.3156.2-87.10000112.7A423S421-A423 VanDerWaalsContact C-N 3.26Å; S421-A423 PolarHBondContact O-N 2.86Å
422V47.1Very low41.8Very low157 Ų157147.8 Ų147.895%0.95282%0.815SS**SBendtrans38.6-22.5148-160.20000122.7R424V422-R424 VanDerWaalsContact C-N 3.31Å; V422-R424 PolarHBondContact O-N 2.94Å
423A37Very low41.9Very low96 Ų96148 Ų14879%0.79383%0.826SS**  trans-80.225.4-166.900000117S421 R425S421-A423 VanDerWaalsContact C-N 3.26Å; S421-A423 PolarHBondContact O-N 2.86Å; A423-R425 PolarHBondContact O-N 3.23Å
424R49.9Very low42Very low227 Ų227149 Ų14986%0.85783%0.829SS**  trans-9849.1179.2-84.3-158.4178.8109.7-1.3114.7V422V422-R424 VanDerWaalsContact C-N 3.31Å; V422-R424 PolarHBondContact O-N 2.94Å
425R49.8Very low42.1Very low234 Ų234150.2 Ų150.288%0.88383%0.83SS**SBendtrans-161.890.6166.7-153.7-176.1-60.5-167.34106.5A423A423-R425 PolarHBondContact O-N 3.23Å
426V45.5Very low42Very low140 Ų140149.8 Ų149.885%0.84883%0.83SS**SBend-139123.757.8-179.70000111
427G42.4Very low42.1Very low76 Ų76153.7 Ų153.778%0.78484%0.837SS**  trans178.220179.600000117.5
428W40.5Very low42.2Very low230 Ų230160.1 Ų160.187%0.87185%0.847SS**  trans-132.147.9-172.4-156.4-37.9000112.3
429T47.2Very low41.8Very low126 Ų126157.7 Ų157.777%0.77384%0.844SS**SBendtrans-138.814-175.631.40000115.3
430V45.7Very low41.3Very low136 Ų136157.9 Ų157.982%0.82484%0.84SS**SBendtrans-136.538.2177.9-154.90000113.5
431R46.9Very low40.7Very low248 Ų248157 Ų15794%0.93684%0.84SS**SBendtrans-144.324.5172.2-78.5-156.5175.2-158.7-1.6115.6
432R45.5Very low40.5Very low248 Ų248160.3 Ų160.394%0.93684%0.84SS**SBendtrans-142.1137.9162.7-84.6-167.6172.1-173.8-3.1109.2
433G38.3Very low40.1Very low69 Ų69158.5 Ų158.571%0.71183%0.831SS**  trans79.9120.5-15400000109.4
434V40.1Very low39.7Very low148 Ų148164 Ų16490%0.89784%0.838SS**SBendcis-112.2110.412-179.60000112
435Q36Very low38.8Very low179 Ų179164.4 Ų164.484%0.83684%0.839SS**SBendtrans-139.1153.7147.8-83.2-170.7-20.900107
436S34Very low38Very low110 Ų110161.4 Ų161.477%0.76984%0.84SS**  trans50.286.7-177.465.80000116.6
437L39.2Very low37.3Very low173 Ų173158.4 Ų158.491%0.90684%0.837SS**  trans-126.2106.3137.1-96.9169.1000109
438W38.3Very low36.7Very low248 Ų248160.9 Ų160.994%0.93984%0.842SS**  trans-63.6157.5153.7-56.4-47.4000108.7
439G29.8Very low36.4Very low71 Ų71158.1 Ų158.173%0.73284%0.839SS**  cis148106.6-200000111.7
440S30.8Very low35.7Very low109 Ų109157.9 Ų157.976%0.76284%0.838SS**  trans65.6134.2171.3-166.20000119
441L32.1Very low36.2Very low161 Ų161160.7 Ų160.784%0.84386%0.859SS**  trans-170.668.2142.9-108.3172.7000117.2
442K33.3Very low35.6Very low181 Ų181156.3 Ų156.379%0.78786%0.855SS**  trans54.9-162.5145.7-50.9-173.2177.4179.70118.2
443P39.7Very low35.1Very low119 Ų119151.5 Ų151.577%0.77385%0.85SS**  -135.9176.1-101.343.3-25.1000117.4
444K29.1Very low34.9Very low212 Ų212156.1 Ų156.192%0.92286%0.858SS**  trans-146.1151.7156.5-119.8174.9-178178.30111.7
445R31.1Very low34.6Very low234 Ų234156.5 Ų156.588%0.88386%0.856SS**  trans-112.8155.2-178.5-61.9175.6174.2176.1-3.5111
446L33.5Very low34.6Very low172 Ų172155.1 Ų155.190%0.90186%0.857SS**  -173.7137.9116.6-128.673000114.1
447G29.9Very low34.6Very low77 Ų77158.1 Ų158.179%0.79486%0.863SS**  trans73.7148.8159.800000117.8
448S30.8Very low34.3Very low128 Ų128157.1 Ų157.190%0.89586%0.86SS**  cis-154.4168.5-15.446.60000109.8
449Q34.3Very low34Very low171 Ų171150.1 Ų150.180%0.79985%0.854SS**  trans-101.2154.1-168.6-55.1176.6-69.600114.5
450T32.2Very low34.3Very low121 Ų121156.7 Ų156.774%0.74286%0.864SS**  trans64164.6141.144.90000119.5
451P55.1Low34.6Very low195 Ų195161 Ų161100%1.26687%0.873SS**  cis-85.50-2.335.8-33.5000114.8

Retrieved 451 of 451 residues in 265.2 ms (Link to these results)