A0A087XZG3_POEFO Loading...

DENN domain-containing protein 11

AlphaFold DB (A0A3B3U7V7), UniProt , Accession A0A087XZG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low30.2Very low234 Ų234158.3 Ų158.3100%1.15384%0.838SS**  0122.20-74.615563.500106.2
2V26.8Very low30.4Very low139 Ų139157.6 Ų157.684%0.84284%0.835SS**  trans-111.3118.1175.1176.60000104.8
3E31.4Very low30.9Very low187 Ų187162.1 Ų162.187%0.87483%0.834SS**  trans-92.2138.5169.5-70.2-167.4134.900109.3
4Q30.7Very low30.9Very low185 Ų185163.8 Ų163.886%0.86484%0.836SS**  trans-95169.1-179.9-68.5178.2-64.600110.8
5S28.7Very low30.8Very low93 Ų93165.7 Ų165.765%0.6584%0.841SS**  trans81.8114.9162.7-158.90000115.5
6D27.7Very low31Very low165 Ų165165.3 Ų165.388%0.88284%0.839SS**  -144.7145.490.2-96.9-18.9000114
7R29.7Very low31.2Very low232 Ų232161.8 Ų161.888%0.87583%0.83SS**  trans-117.6114.6-169.6-173.8-178.8-172.3179.21.7107.4
8A28.6Very low31.5Very low91 Ų91159.5 Ų159.575%0.75283%0.827SS**PPolyproline II helixtrans-59.5136.5179.400000110.9
9P31Very low31.7Very low119 Ų119157.7 Ų157.777%0.77383%0.826SS**PPolyproline II helixtrans-70.9135.7-179.6-14.828.7000111.9
10L30.1Very low32Very low158 Ų158156.6 Ų156.683%0.82782%0.821SS**PPolyproline II helixtrans-70.4134162-75.5155.2000108.7D12L10-D12 PolarHBondContact O-N 3.19Å
11L31.8Very low32Very low138 Ų138155 Ų15572%0.72382%0.821SS**  trans-88.776.9-179-70.2164.9000110.4W13L11-W13 HydrophobicContact CD2-CZ2 4.38Å; L11-W13 VanDerWaalsContact CD2-NE1 3.32Å
12D32.4Very low32.1Very low150 Ų150150.7 Ų150.780%0.80280%0.802SS**  trans-77.3119.9162.8-68.9-37.7000109L10L10-D12 PolarHBondContact O-N 3.19Å
13W37.5Very low32.6Very low216 Ų216153.6 Ų153.682%0.81881%0.806SS**  trans-131.1100173.6-66.691.9000110.3L11L11-W13 HydrophobicContact CD2-CZ2 4.38Å; L11-W13 VanDerWaalsContact CD2-NE1 3.32Å
14E30.3Very low32.6Very low186 Ų186149.5 Ų149.587%0.86981%0.805SS**  trans-79.5142.4158.4-66.8-173.9133.900109.5I16E14-I16 PolarHBondContact O-N 2.81Å
15E28.9Very low32.7Very low193 Ų193145.5 Ų145.590%0.90280%0.804SS**  trans-71115.5177.4-70-176.2134.900111
16I34Very low32.9Very low159 Ų159149.9 Ų149.982%0.81581%0.814SS**PPolyproline II helixtrans-88.2120.3168.1-55.6176.3000108.3E14E14-I16 PolarHBondContact O-N 2.81Å
17P35.2Very low33.3Very low106 Ų106147.7 Ų147.769%0.68881%0.809SS**PPolyproline II helixtrans-69.6150.3176.428.7-34000111.5
18P36.6Very low33.6Very low120 Ų120142.4 Ų142.478%0.77980%0.804SS**PPolyproline II helixtrans-68.4147.8-175.628.3-35.3000112.5
19P34.6Very low33.7Very low125 Ų125144.1 Ų144.181%0.81281%0.808SS**PPolyproline II helixtrans-71.7146.4-179.629-34.6000113.2
20D38.2Very low33.8Very low135 Ų135147.6 Ų147.672%0.72281%0.814SS**PPolyproline II helixtrans-68.2126.1-178.8-165.6-18000111.4N22D20-N22 PolarHBondContact O-N 3.21Å
21P33.1Very low34.2Very low125 Ų125145.6 Ų145.681%0.81281%0.81SS**SBendtrans-72.119.5-169.228.4-37.5000116.6
22N37.3Very low34Very low143 Ų143148.6 Ų148.677%0.76582%0.821SS**  trans-119.871.9-179-100.1-25.7000113.1D20D20-N22 PolarHBondContact O-N 3.21Å
23Q36.8Very low33.8Very low199 Ų199152.7 Ų152.793%0.9383%0.825SS**  trans-151.2118.6155.9-116.1156.782.300111.1
24A32.1Very low33.4Very low101 Ų101151 Ų15184%0.83583%0.826SS**  trans-80.8147.7-175.700000112.2
25A31.5Very low33.3Very low102 Ų102149.9 Ų149.984%0.84383%0.826SS**  trans-64.8148.9-175.100000114.2
26Q33.4Very low33.2Very low184 Ų184147.5 Ų147.586%0.8682%0.82SS**  trans-117.3142.7158.3-71.6-165.4-18.900109.9
27P35.8Very low33Very low120 Ų120147.1 Ų147.178%0.77983%0.825SS**PPolyproline II helixtrans-81.8158.3-172.233.2-36.1000113.4
28P35.4Very low32.7Very low120 Ų120146.5 Ų146.578%0.77983%0.829SS**PPolyproline II helixtrans-79.6149.7-178.933.1-35.7000112.9
29P32.3Very low32.4Very low128 Ų128145.1 Ų145.183%0.83183%0.827SS**PPolyproline II helixtrans-87.5143.5169.333.6-31.6000112.6
30E31.9Very low32.1Very low191 Ų191145.2 Ų145.289%0.89383%0.826SS**PPolyproline II helixtrans-92.1165.3173.3-97.1-170.3169.900112.9
31P39.5Very low31.5Very low117 Ų117146.1 Ų146.176%0.7683%0.83SS**PPolyproline II helixtrans-95.7158.7-157.537.1-37000115.6
32Q27.7Very low31.3Very low201 Ų201148.3 Ų148.394%0.93983%0.827SS**  trans-137.6165.7165.3-71.9-161.7-20.600113
33R28Very low30.8Very low236 Ų236153.2 Ų153.289%0.89184%0.835SS**  trans-97.7171.9-157.8-71179.5173.4169.7-4.6115.3
34E29.3Very low30.3Very low179 Ų179150.2 Ų150.284%0.83683%0.831SS**  trans-34.4147.4165.4-56.9154.3140.300116
35D27.8Very low31Very low163 Ų163150.2 Ų150.287%0.87282%0.822SS**  -160.9160.3114.1-135-26000113.2
36D27.9Very low30.9Very low144 Ų144153.6 Ų153.677%0.7782%0.822SS**  trans-78.4157.3-176.7-87.9-48.4000114.7
37T28.6Very low30.6Very low150 Ų150149.8 Ų149.892%0.9282%0.816SS**  trans-172154134.114.80000113
38A28.3Very low30.1Very low94 Ų94147.7 Ų147.778%0.77782%0.816SS**  trans-130171-166.700000114.8
39A30.4Very low29.8Very low90 Ų90149.4 Ų149.474%0.74482%0.824SS**  trans73.4145.4165.500000116.6
40T28.8Very low29.5Very low127 Ų127146.3 Ų146.378%0.77982%0.816SS**  cis-167.8151.2-2.9100000109
41D26Very low29.2Very low154 Ų154149.4 Ų149.482%0.82482%0.82SS**  -166.6172.1120.2-133.8-29.8000114.6
42K28.9Very low28.7Very low172 Ų172149.1 Ų149.175%0.74882%0.82SS**  trans-111.5152-159.8-57.8160179.6167.10114.5
43R25.6Very low28.5Very low246 Ų246143.3 Ų143.393%0.92881%0.814SS**  171.5157116.5-92.3170-176.8-159.41.4114.7
44T27.8Very low28.3Very low136 Ų136137 Ų13783%0.83481%0.813SS**  trans-138.3-172.2-173.17.10000108.5
45P46Very low28.1Very low101 Ų101135 Ų13566%0.65681%0.812SS**  cis-138.3-172.8-22.334.8-13.4000114.8
46M28.8Very low28Very low173 Ų173133.7 Ų133.785%0.85281%0.811SS**  trans48.7160.3139.4-76.1174.976.300122.4
47S28.3Very low27.8Very low104 Ų104131.2 Ų131.273%0.72781%0.81SS**  cis-175.4160.8-14.3520000109.3
48G25Very low27.7Very low75 Ų75130.2 Ų130.277%0.77380%0.804SS**  trans-171143.1169.500000116.1
49T29.1Very low27.7Very low156 Ų156131.8 Ų131.896%0.95781%0.806SS**  trans-147.8155.3-167.942.60000114.6
50G24.8Very low27.4Very low63 Ų63133.7 Ų133.765%0.64981%0.808SS**  trans157.1113.6162.700000113.1
51W27.6Very low27.1Very low257 Ų257131.9 Ų131.997%0.97381%0.806SS**  72.3135.591.2-80.7-14.5000114.6
52S27Very low27Very low110 Ų110130.4 Ų130.477%0.76980%0.803SS**  cis-161.6174.50.2-86.50000108.8
53G24.2Very low26.8Very low79 Ų79128.7 Ų128.781%0.81481%0.807SS**  cis141.2123.8-0.400000112.2
54A23.9Very low26.6Very low105 Ų105127.3 Ų127.387%0.86880%0.803SS**  trans-148.6153.2178.800000112.4
55V25.4Very low26.5Very low136 Ų136126 Ų12682%0.82480%0.799SS**  trans-140.7138.1-160.9178.10000113
56T24.6Very low25.7Very low136 Ų136126.8 Ų126.883%0.83480%0.804SS**  trans-170.9113.1145.820.60000107.9
57A24.6Very low25.5Very low92 Ų92125 Ų12576%0.7680%0.803SS**  97.9120.373.300000112.5
58V27.5Very low25.4Very low129 Ų129130.8 Ų130.878%0.78281%0.809SS**  trans-96159.9-177.6-169.60000109.4
59P27.5Very low25.3Very low127 Ų127134.1 Ų134.183%0.82581%0.809SS**  -139.3164.4117.337-24.7000115.2
60T23.7Very low25.1Very low129 Ų129133.2 Ų133.279%0.79180%0.797SS**  trans-95.3158.2-163.5-33.40000113.7
61A23.5Very low25.1Very low89 Ų89136 Ų13674%0.73680%0.802SS**  trans70.9135.2153.300000119.5
62V23.4Very low24.8Very low124 Ų124128.2 Ų128.275%0.75279%0.792SS**  -170.8131.2103.2150.40000109Y64V62-Y64 HydrophobicContact CG1-CD2 3.93Å
63T24.6Very low24.6Very low136 Ų136128.9 Ų128.983%0.83479%0.791SS**  trans-88.3126.2173.3-38.60000109.6
64Y21.8Very low24.5Very low217 Ų217131.2 Ų131.285%0.85179%0.79SS**  trans-150.4131.1165-109.7-81.9000112.8V62V62-Y64 HydrophobicContact CG1-CD2 3.93Å
65S25.9Very low24.5Very low107 Ų107132.5 Ų132.575%0.74879%0.786SS**  trans-87160.1169.6-37.70000110.8
66P28.7Very low24.2Very low118 Ų118130.6 Ų130.677%0.76678%0.779SS**  trans-137.8121.7138.917.34.8000115.9
67T24.5Very low24.3Very low135 Ų135134.7 Ų134.783%0.82878%0.779SS**  trans45.1124.9133.550.20000124.4
68R25.4Very low24.3Very low226 Ų226137.9 Ų137.985%0.85378%0.783SS**  trans-41.4157.4150.6-75.1170.8157.7164.9-7116.3
69N24.1Very low24.3Very low145 Ų145141.5 Ų141.578%0.77579%0.788SS**  -152.2117.4121.4-88.5-30.6000108.5
70I25.2Very low24.2Very low138 Ų138140.7 Ų140.771%0.70878%0.783SS**  63118.296.4-60.1173.3000110.8
71T23.6Very low24.4Very low121 Ų121140.7 Ų140.774%0.74279%0.785SS**  -146.8129.556.9-44.50000113.9V73T71-V73 HydrophobicContact CG2-CG2 3.96Å
72A22.3Very low24.5Very low93 Ų93139.9 Ų139.977%0.76979%0.786SS**  trans-117.6123.6159.200000108.1
73V22.7Very low24.5Very low124 Ų124139.5 Ų139.575%0.75279%0.788SS**  trans-95.8102.7177179.30000108.6T71 V75T71-V73 HydrophobicContact CG2-CG2 3.96Å; V73-V75 HydrophobicContact CG1-CG2 4.09Å
74V21.4Very low24.7Very low129 Ų129136.7 Ų136.778%0.78279%0.785SS**  trans-98.4117.7165-179.40000107.6
75V23.1Very low24.9Very low132 Ų132135.2 Ų135.280%0.878%0.784SS**  trans-112119.8162.7178.10000107.2V73V73-V75 HydrophobicContact CG1-CG2 4.09Å
76S20.4Very low24.9Very low95 Ų95134.7 Ų134.766%0.66479%0.786SS**  trans-94.3145.9177.6-169.90000110.4
77R27.3Very low24.8Very low223 Ų223140.8 Ų140.884%0.84279%0.793SS**  trans31.3123163-74.8-177.7169.9170-2.9118.7
78D22.7Very low24.8Very low159 Ų159143 Ų14385%0.8579%0.794SS**  -162.5159.9100.5-100.2-24.2000113.1
79K29.2Very low24.9Very low204 Ų204141 Ų14189%0.88780%0.795SS**  trans-132102-175.2-171.1-174.5-172.3-178.20111.5
80P24.2Very low25Very low111 Ų111139.9 Ų139.972%0.72180%0.796SS**  trans-97.1166.5165.4-1.823000112.3
81P29Very low25.1Very low128 Ų128139.5 Ų139.583%0.83180%0.802SS**  trans-98.7153.8-161.237-35.4000115.7
82G25.2Very low25.2Very low73 Ų73137.5 Ų137.575%0.75381%0.805SS**  trans66.892.9139.400000119.7
83C24.3Very low25.5Very low116 Ų116138.7 Ų138.778%0.78481%0.808SS**  trans-153.6117140.5-109.50000110.5F85C83-F85 HydrophobicContact CB-CD2 4.42Å; C83-F85 HydrophobicContact CB-CE2 4.25Å
84G28.4Very low25.7Very low76 Ų76139.5 Ų139.578%0.78481%0.814SS**  trans-88.5128.2172.400000110.3
85F26Very low26.1Very low187 Ų187141 Ų14182%0.8282%0.816SS**  trans-130.9125.2166.6-80.9-79.3000110.3C83C83-F85 HydrophobicContact CB-CD2 4.42Å; C83-F85 HydrophobicContact CB-CE2 4.25Å
86A26Very low26.3Very low96 Ų96139.7 Ų139.779%0.79381%0.811SS**  trans-67.6130.7-178.700000110.9Q88A86-Q88 PolarHBondContact O-N 2.95Å
87R26Very low26.7Very low245 Ų245144.1 Ų144.193%0.92582%0.818SS**  trans-80.3102.8174.9-169.7173.2-174.9170.61.3109.7
88Q24.5Very low26.7Very low182 Ų182140.2 Ų140.285%0.8582%0.822SS**PPolyproline II helixtrans-63.7141.3172.1-67176.8-12.800110.7A86A86-Q88 PolarHBondContact O-N 2.95Å
89Q27.4Very low27Very low183 Ų183135.9 Ų135.986%0.85582%0.815SS**PPolyproline II helixtrans-81.8142.7173.1-68.3173.1-2600110.5
90P26.8Very low27Very low123 Ų123132.8 Ų132.880%0.79981%0.813SS**PPolyproline II helixtrans-77.5143.3164.732.6-32.2000110.5
91P26.6Very low27.3Very low130 Ų130134.4 Ų134.484%0.84482%0.821SS**PPolyproline II helixtrans-88.7144.2-174.733.8-34.7000114
92G26.9Very low27.2Very low78 Ų78132.4 Ų132.480%0.80482%0.815SS**  trans68.287.214100000119.3
93S28.1Very low27.5Very low119 Ų119141 Ų14183%0.83283%0.825SS**  trans-121.1105.414451.80000109.6L95S93-L95 PolarHBondContact O-N 2.93Å
94T26.1Very low27.7Very low141 Ų141137.7 Ų137.787%0.86581%0.81SS**  trans-80.7104.8-177.9210000111.1
95L29.4Very low27.9Very low159 Ų159142.7 Ų142.783%0.83281%0.813SS**  trans-75.3131.5164.9-70.5171.8000109.9S93 F97S93-L95 PolarHBondContact O-N 2.93Å; L95-F97 PolarHBondContact O-N 2.77Å
96P28.2Very low28.6Very low106 Ų106145.6 Ų145.669%0.68882%0.819SS**SBendtrans-88.464.8-169.436.3-37.5000113.1
97F28Very low29.9Very low187 Ų187149.1 Ų149.182%0.8282%0.819SS**  trans-142.6101.8168.4-73.8-71.5000112.3L95 G99L95-F97 PolarHBondContact O-N 2.77Å; F97-G99 PolarHBondContact O-N 2.89Å
98P27Very low31.7Very low141 Ų141140.4 Ų140.492%0.91679%0.789SS**THydrogen-bonded Turntrans-78.5102.5169.931.2-30.3000109.5
99G28.9Very low33.9Very low69 Ų69139.2 Ų139.271%0.71178%0.781SS**THydrogen-bonded Turntrans171.7-12.4176.600000119F97F97-G99 PolarHBondContact O-N 2.89Å
100V30.9Very low36.1Very low139 Ų139132.8 Ų132.884%0.84275%0.752SS**  trans-122.164.2-178.1-165.50000111.9
101T28.6Very low39Very low144 Ų144130.8 Ų130.888%0.88373%0.732SS**  trans-124.169.2165.552.50000110.5
102A28.7Very low42.2Very low86 Ų86124.7 Ų124.771%0.71169%0.692SS**  trans-149.7109.4163.200000110.4G104A102-G104 PolarHBondContact O-N 3.41Å
103R29.9Very low45.4Very low254 Ų254121.5 Ų121.596%0.95866%0.657SS**  trans-68.276.8148.9-86-176.5163.6-141.6-0.7107.1Q105R103-Q105 PolarHBondContact O-N 3.29Å
104G29.5Very low48.7Very low46 Ų46115.8 Ų115.847%0.47462%0.617SS.*  trans-71.693.517100000109.1A102 W106A102-G104 PolarHBondContact O-N 3.41Å; G104-W106 PolarHBondContact O-N 3.28Å
105Q32.4Very low52.1Low182 Ų182109.1 Ų109.185%0.8558%0.576SS**  trans-69.990.5161-72.7176-70.600107.2R103 E107R103-Q105 PolarHBondContact O-N 3.29Å; Q105-E107 PolarHBondContact O-N 3.33Å; Q105-E107 VanDerWaalsContact O-N 3.13Å
106W41.2Very low55.3Low247 Ų247101.5 Ų101.594%0.93654%0.537SS*.  trans-74.994.6166.6-66.985.9000107G104 E108G104-W106 PolarHBondContact O-N 3.28Å; W106-E108 PolarHBondContact O-N 3.46Å
107E53Low58.7Low170 Ų17096.5 Ų96.579%0.79450%0.504SS*.  trans-63.7114.7168.2-70.3-175154.200108.5Q105 K109Q105-E107 PolarHBondContact O-N 3.33Å; Q105-E107 VanDerWaalsContact O-N 3.13Å; E107-K109 PolarHBondContact O-N 3.45Å
108E63.3Low62Low63 Ų6387.6 Ų87.629%0.29447%0.465SS..  trans-64.7117.1173-165.9175-159.400108.1W106 S195 T197 L198W106-E108 PolarHBondContact O-N 3.46Å; E108-S195 WeakPolarHBondContact OE1-CB 3.26Å; E108-S195 PolarHBondContact OE1-OG 3.28Å; E108-T197 PolarHBondContact OE1-OG1 3.04Å; E108-T197 PolarHBondContact OE2-OG1 3.25Å; E108-L198 HydrophobicContact CB-CD1 4.12Å; E108-L198 HydrophobicContact CG-CD1 3.78Å; E108-L198 HydrophobicContact CG-CG 4.19Å
109K70Confident65.2Low157 Ų15782 Ų8268%0.68343%0.428SS*.  trans-87.1137.5-177.6-68.2-170.7177-173.60110.3E107 Q111E107-K109 PolarHBondContact O-N 3.45Å; K109-Q111 HydrophobicContact CB-CG 4.4Å; K109-Q111 PolarHBondContact O-N 2.83Å; K109-Q111 VanDerWaalsContact O-N 3.09Å
110D75Confident68.3Low47 Ų4782.2 Ų82.225%0.25141%0.41SS..  trans-49112.7161.5-672.9000109.6R201 Y202 K230D110-R201 IonicContact OD1-NH1 2.63Å; D110-Y202 WeakPolarHBondContact CB-OH 3.25Å; D110-Y202 PolarHBondContact OD1-OH 3.04Å; D110-Y202 PolarHBondContact OD2-OH 3.47Å; D110-K230 HydrophobicContact CB-CD 4.01Å; D110-K230 WeakPolarHBondContact OD2-CE 3.31Å; D110-K230 IonicContact OD2-NZ 2.73Å; D110-K230 PolarHBondContact OD2-NZ 2.84Å
111Q87.4Confident71.1Confident81 Ų8177.9 Ų77.938%0.37938%0.382SS..  trans-133.387.2-177.2-78.4-171.5-8.600110.5K109 P194 A232K109-Q111 HydrophobicContact CB-CG 4.4Å; K109-Q111 PolarHBondContact O-N 2.83Å; K109-Q111 VanDerWaalsContact O-N 3.09Å; Q111-P194 HydrophobicContact CB-CG 4.27Å; Q111-P194 WeakPolarHBondContact O-CD 3.26Å; Q111-A232 HydrophobicContact CB-CB 3.93Å; Q111-A232 HydrophobicContact CG-CB 4.28Å
112I93.4Very high73.8Confident2 Ų273.4 Ų73.41%0.0136%0.355CS..BIsolated β-bridgetrans-85.4119.2177.4-58.2-56000109.8A114 V115 I191 Y202 F226 Y227 K230 K231 A232I112-A114 WeakPolarHBondContact CG2-O 3.33Å; I112-V115 HydrophobicContact CG2-CG2 3.73Å; I112-I191 HydrophobicContact CD1-CB 4.39Å; I112-I191 HydrophobicContact CD1-CD1 3.91Å; I112-I191 HydrophobicContact CG2-CB 4.47Å; I112-Y202 HydrophobicContact CD1-CD2 4.25Å; I112-Y202 HydrophobicContact CD1-CE2 3.81Å; I112-F226 HydrophobicContact CD1-CZ 4.41Å; I112-F226 HydrophobicContact CG1-CE1 4.1Å; I112-F226 HydrophobicContact CG1-CZ 4.05Å; I112-F226 HydrophobicContact CG2-CE1 4.38Å; I112-Y227 HydrophobicContact CG2-CD2 4.16Å; I112-K230 HydrophobicContact CB-CB 4.14Å; I112-K230 HydrophobicContact CG1-CB 3.62Å; I112-K230 PolarHBondContact N-O 3.22Å; I112-K231 CarbonylContact O-C 3.54Å; I112-K231 VanDerWaalsContact O-CA 3.3Å; I112-K231 WeakPolarHBondContact O-CA 3.44Å; I112-A232 PolarHBondContact O-N 3.08Å
113V94.3Very high76.5Confident11 Ų1179.7 Ų79.77%0.06736%0.36CS..  trans-84-40.9179.2173.80000110.5P133 Y165 L192 P194 A232V113-P133 WeakPolarHBondContact O-CD 3.4Å; V113-Y165 HydrophobicContact CB-CE1 4.43Å; V113-Y165 HydrophobicContact CG1-CD1 4.49Å; V113-Y165 HydrophobicContact CG1-CD2 4.43Å; V113-Y165 HydrophobicContact CG1-CE1 4.13Å; V113-Y165 HydrophobicContact CG1-CE2 4.04Å; V113-Y165 HydrophobicContact CG2-CD1 3.89Å; V113-Y165 HydrophobicContact CG2-CE1 3.65Å; V113-L192 HydrophobicContact CB-CB 4.31Å; V113-L192 PolarHBondContact N-O 3.3Å; V113-P194 HydrophobicContact CG2-CG 4.08Å; V113-A232 HydrophobicContact CG2-CB 4.39Å
114A96.5Very high79.2Confident0 Ų071.1 Ų71.10%034%0.339CS..EExtended strand (participates in β ladder)trans-150.1156.6177.500000111.7I112 L132 V136 L138 I191 L192I112-A114 WeakPolarHBondContact CG2-O 3.33Å; A114-L132 CarbonylContact C-O 3.58Å; A114-L132 WeakPolarHBondContact CA-O 3.44Å; A114-L132 WeakPolarHBondContact CB-O 3.25Å; A114-V136 HydrophobicContact CB-CG1 3.94Å; A114-V136 HydrophobicContact CB-CG2 4.24Å; A114-L138 HydrophobicContact CB-CD2 4.36Å; A114-I191 CarbonylContact O-C 3.56Å; A114-I191 VanDerWaalsContact O-CA 3.26Å; A114-I191 WeakPolarHBondContact O-CA 3.32Å; A114-L192 HydrophobicContact CB-CB 4.29Å; A114-L192 HydrophobicContact CB-CD1 4.24Å; A114-L192 HydrophobicContact CB-CG 4.34Å; A114-L192 PolarHBondContact O-N 2.79Å
115V97.9Very high82.1Confident0 Ų070 Ų700%033%0.327CS..EExtended strand (participates in β ladder)trans-127.7139.7167.9-1730000107.1I112 W130 C131 L132 G190 I191 L223 F226 Y227I112-V115 HydrophobicContact CG2-CG2 3.73Å; V115-W130 HydrophobicContact CB-CZ3 4.33Å; V115-W130 HydrophobicContact CG1-CZ3 4.09Å; V115-C131 CarbonylContact O-C 3.6Å; V115-C131 VanDerWaalsContact O-CA 3.23Å; V115-C131 WeakPolarHBondContact O-CA 3.44Å; V115-C131 WeakPolarHBondContact O-CB 3.41Å; V115-L132 PolarHBondContact N-O 3.24Å; V115-L132 PolarHBondContact O-N 3.36Å; V115-G190 CarbonylContact C-O 3.49Å; V115-G190 WeakPolarHBondContact CA-O 3.47Å; V115-I191 HydrophobicContact CB-CG2 4.44Å; V115-I191 HydrophobicContact CG1-CG2 4.15Å; V115-I191 HydrophobicContact CG2-CG2 4.06Å; V115-L223 HydrophobicContact CG1-CB 4.19Å; V115-L223 HydrophobicContact CG1-CD2 3.97Å; V115-F226 HydrophobicContact CG2-CD1 3.9Å; V115-F226 HydrophobicContact CG2-CE1 3.99Å; V115-Y227 HydrophobicContact CG2-CD2 3.84Å; V115-Y227 HydrophobicContact CG2-CG 4.28Å
116F98.1Very high85.1Confident0 Ų062.9 Ų62.90%030%0.295CS..EExtended strand (participates in β ladder)trans-147.6156.6-175.359.4-96.8000112.5V118 W130 C131 L138 V141 S145 F160 A169 V189 G190 L192F116-V118 HydrophobicContact CD2-CG2 3.94Å; F116-V118 HydrophobicContact CE2-CG2 4.21Å; F116-W130 CarbonylContact C-O 3.47Å; F116-W130 WeakPolarHBondContact CA-O 3.25Å; F116-C131 HydrophobicContact CB-CB 3.87Å; F116-L138 HydrophobicContact CB-CD1 3.76Å; F116-L138 HydrophobicContact CD1-CD1 4.43Å; F116-L138 HydrophobicContact CD1-CD2 4.42Å; F116-L138 HydrophobicContact CG-CD1 4.31Å; F116-V141 HydrophobicContact CD1-CG1 4.19Å; F116-V141 HydrophobicContact CD2-CG1 4.02Å; F116-V141 HydrophobicContact CE1-CG1 3.77Å; F116-V141 HydrophobicContact CE2-CG1 3.59Å; F116-V141 HydrophobicContact CG-CG1 4.31Å; F116-V141 HydrophobicContact CZ-CG1 3.45Å; F116-V141 VanDerWaalsContact CZ-CG1 3.45Å; F116-S145 VanDerWaalsContact CE2-OG 3.25Å; F116-S145 WeakPolarHBondContact CE2-OG 3.45Å; F116-F160 HydrophobicContact CE1-CZ 4.38Å; F116-F160 HydrophobicContact CZ-CE1 4.34Å; F116-F160 AromaticContact CZ-CZ 3.86Å; F116-F160 HydrophobicContact CZ-CZ 3.86Å; F116-A169 HydrophobicContact CE2-CB 4.28Å; F116-A169 HydrophobicContact CZ-CB 4.27Å; F116-V189 WeakPolarHBondContact O-CA 3.33Å; F116-G190 WeakPolarHBondContact CD1-O 3.41Å; F116-G190 VanDerWaalsContact CE1-C 3.41Å; F116-G190 VanDerWaalsContact CZ-CA 3.47Å; F116-G190 PolarHBondContact N-O 2.77Å; F116-G190 PolarHBondContact O-N 2.97Å; F116-L192 HydrophobicContact CE1-CD2 4.13Å; F116-L192 HydrophobicContact CE1-CG 4.1Å
117V98.1Very high87.6Confident0 Ų054.9 Ų54.90%027%0.269CS..EExtended strand (participates in β ladder)trans-121.8126.5170.3-175.90000108E129 W130 K187 S188 V189 Q213 Y220 L223V117-E129 HydrophobicContact CG1-CB 4.45Å; V117-E129 PolarHBondContact O-N 3.44Å; V117-W130 HydrophobicContact CB-CB 4.4Å; V117-W130 HydrophobicContact CG2-CE3 3.93Å; V117-W130 PolarHBondContact N-O 3.15Å; V117-W130 PolarHBondContact O-N 3.47Å; V117-K187 HydrophobicContact CG1-CD 4.37Å; V117-S188 CarbonylContact C-O 3.57Å; V117-S188 WeakPolarHBondContact CA-O 3.47Å; V117-V189 HydrophobicContact CG1-CG2 4.3Å; V117-V189 HydrophobicContact CG2-CG2 4.13Å; V117-Q213 HydrophobicContact CG1-CG 4.44Å; V117-Y220 HydrophobicContact CB-CE1 4.42Å; V117-Y220 HydrophobicContact CG2-CD1 4.07Å; V117-Y220 HydrophobicContact CG2-CE1 4.04Å; V117-L223 HydrophobicContact CG2-CD1 3.58Å
118V97.5Very high89.7Confident0 Ų048.9 Ų48.90%024%0.244CC..EExtended strand (participates in β ladder)trans-106.5139.6172.4-179.70000108F116 N126 M127 V128 E142 M146 K187 S188F116-V118 HydrophobicContact CD2-CG2 3.94Å; F116-V118 HydrophobicContact CE2-CG2 4.21Å; V118-N126 HydrophobicContact CG1-CB 4.38Å; V118-M127 CarbonylContact C-O 3.51Å; V118-M127 WeakPolarHBondContact CA-O 3.45Å; V118-M127 WeakPolarHBondContact CG1-O 3.36Å; V118-V128 HydrophobicContact CG2-CG2 4.4Å; V118-E142 HydrophobicContact CG1-CB 3.83Å; V118-E142 HydrophobicContact CG2-CB 4.32Å; V118-M146 HydrophobicContact CB-SD 4.42Å; V118-M146 HydrophobicContact CG1-CG 4.22Å; V118-M146 HydrophobicContact CG1-SD 3.74Å; V118-K187 CarbonylContact O-C 3.57Å; V118-K187 VanDerWaalsContact O-CA 3.28Å; V118-K187 WeakPolarHBondContact O-CA 3.45Å; V118-S188 PolarHBondContact N-O 2.93Å; V118-S188 PolarHBondContact O-N 2.78Å
119T95.4Very high91.2Very high25 Ų2548.9 Ų48.915%0.15324%0.244CC..EExtended strand (participates in β ladder)trans-127158173.2-166.30000110.3M127 E129T119-M127 HydrophobicContact CG2-CG 3.82Å; T119-M127 HydrophobicContact CG2-SD 4.48Å; T119-M127 PolarHBondContact N-O 3.21Å; T119-M127 PolarHBondContact O-N 3.03Å; T119-E129 HydrophobicContact CG2-CB 3.92Å; T119-E129 HydrophobicContact CG2-CG 4.23Å
120F93.4Very high92.5Very high73 Ų7342.7 Ų42.732%0.3222%0.216SC..EExtended strand (participates in β ladder)trans-94.5114.5168.2-179.4-102.4000110.4T122 M146 M186F120-T122 HydrophobicContact CE1-CG2 4.17Å; F120-M146 HydrophobicContact CB-CE 3.89Å; F120-M186 HydrophobicContact CB-CB 4.08Å; F120-M186 HydrophobicContact CB-CE 4.09Å; F120-M186 HydrophobicContact CD1-CE 3.54Å; F120-M186 HydrophobicContact CD2-CE 4.47Å; F120-M186 HydrophobicContact CE1-CE 4.04Å; F120-M186 HydrophobicContact CG-CE 3.78Å; F120-M186 PolarHBondContact N-O 2.69Å
121D89.1Confident93.6Very high47 Ų4741.5 Ų41.525%0.25121%0.211SC..EExtended strand (participates in β ladder)trans-91.8131.9168177.8-114.6000110.1R123 S124 G125 M127D121-R123 PolarHBondContact O-N 2.91Å; D121-R123 VanDerWaalsContact O-N 3.1Å; D121-R123 WeakPolarHBondContact OD1-CB 3.31Å; D121-R123 PolarHBondContact OD1-N 2.76Å; D121-S124 PolarHBondContact O-N 3.02Å; D121-S124 WeakPolarHBondContact OD1-CB 3.39Å; D121-S124 PolarHBondContact OD1-N 3.36Å; D121-S124 PolarHBondContact OD1-OG 2.9Å; D121-G125 PolarHBondContact N-O 3.39Å; D121-G125 WeakPolarHBondContact O-CA 3.4Å; D121-G125 PolarHBondContact O-N 3.46Å; D121-M127 HydrophobicContact CB-CG 4.38Å; D121-M127 HydrophobicContact CB-SD 3.75Å
122T85.5Confident94Very high51 Ų5138.7 Ų38.731%0.31320%0.199SC..THydrogen-bonded Turntrans-68.4-13.7-173.6550000114F120 L180 R182F120-T122 HydrophobicContact CE1-CG2 4.17Å; T122-L180 WeakPolarHBondContact CG2-O 3.35Å; T122-L180 PolarHBondContact OG1-O 3.37Å; T122-L180 VanDerWaalsContact OG1-O 3.14Å; T122-R182 HydrophobicContact CG2-CB 4.32Å; T122-R182 HydrophobicContact CG2-CG 4.02Å
123R85.5Confident94.1Very high218 Ų21840.1 Ų40.182%0.82321%0.208SC*.THydrogen-bonded Turntrans-105.8-36.9177.6177.3-175.362.8146.92.3113D121D121-R123 PolarHBondContact O-N 2.91Å; D121-R123 VanDerWaalsContact O-N 3.1Å; D121-R123 WeakPolarHBondContact OD1-CB 3.31Å; D121-R123 PolarHBondContact OD1-N 2.76Å
124S86.9Confident94Very high73 Ų7346.8 Ų46.851%0.5124%0.238SC..THydrogen-bonded Turntrans-104.6-13.4-169.9-38.90000113.3D121D121-S124 PolarHBondContact O-N 3.02Å; D121-S124 WeakPolarHBondContact OD1-CB 3.39Å; D121-S124 PolarHBondContact OD1-N 3.36Å; D121-S124 PolarHBondContact OD1-OG 2.9Å
125G90.9Very high93.6Very high23 Ų2353.7 Ų53.724%0.23728%0.275CS..EExtended strand (participates in β ladder)trans85.3-152.6-176.400000112.7D121D121-G125 PolarHBondContact N-O 3.39Å; D121-G125 WeakPolarHBondContact O-CA 3.4Å; D121-G125 PolarHBondContact O-N 3.46Å
126N93.9Very high93.3Very high33 Ų3355.5 Ų55.518%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-65.9134.3174.7-58.2-3.8000109.5V118 E142 F143 M146V118-N126 HydrophobicContact CG1-CB 4.38Å; N126-E142 HydrophobicContact CB-CB 3.99Å; N126-E142 HydrophobicContact CB-CG 4.26Å; N126-E142 PolarHBondContact ND2-O 3.29Å; N126-F143 HydrophobicContact CB-CD1 4.3Å; N126-F143 HydrophobicContact CB-CE1 4.22Å; N126-M146 WeakPolarHBondContact ND2-CB 3.37Å; N126-M146 PolarHBondContact ND2-O 3.31Å
127M95Very high93Very high79 Ų7959.9 Ų59.939%0.38931%0.31SS..EExtended strand (participates in β ladder)trans-146.6147.6176.158.6178.6-70.700111.6V118 T119 D121 E129V118-M127 CarbonylContact C-O 3.51Å; V118-M127 WeakPolarHBondContact CA-O 3.45Å; V118-M127 WeakPolarHBondContact CG1-O 3.36Å; T119-M127 HydrophobicContact CG2-CG 3.82Å; T119-M127 HydrophobicContact CG2-SD 4.48Å; T119-M127 PolarHBondContact N-O 3.21Å; T119-M127 PolarHBondContact O-N 3.03Å; D121-M127 HydrophobicContact CB-CG 4.38Å; D121-M127 HydrophobicContact CB-SD 3.75Å; M127-E129 PolarHBondContact O-N 3.17Å
128V96.4Very high92.8Very high44 Ų4460.4 Ų60.427%0.26731%0.312SS..EExtended strand (participates in β ladder)trans-70.9114.7169.4-176.90000108.2V118 C131 L138 E142V118-V128 HydrophobicContact CG2-CG2 4.4Å; V128-C131 HydrophobicContact CG1-CB 4.21Å; V128-L138 HydrophobicContact CG1-CD1 4.24Å; V128-L138 HydrophobicContact CG2-CB 4.39Å; V128-E142 HydrophobicContact CG2-CB 4.36Å
129E95.5Very high92.5Very high62 Ų6265.7 Ų65.729%0.2934%0.341SS..EExtended strand (participates in β ladder)trans-81.3-37.8179.3-173-174.6173.300111.3V117 T119 M127 K187 Y220V117-E129 HydrophobicContact CG1-CB 4.45Å; V117-E129 PolarHBondContact O-N 3.44Å; T119-E129 HydrophobicContact CG2-CB 3.92Å; T119-E129 HydrophobicContact CG2-CG 4.23Å; M127-E129 PolarHBondContact O-N 3.17Å; E129-K187 IonicContact OE1-NZ 2.69Å; E129-K187 PolarHBondContact OE1-NZ 3.16Å; E129-K187 WeakPolarHBondContact OE2-CE 3.26Å; E129-K187 IonicContact OE2-NZ 2.73Å; E129-K187 PolarHBondContact OE2-NZ 3.44Å; E129-Y220 VanDerWaalsContact CD-OH 3.29Å; E129-Y220 WeakPolarHBondContact CG-OH 3.46Å; E129-Y220 PolarHBondContact OE1-OH 3.33Å
130W97.1Very high92.3Very high28 Ų2865.3 Ų65.311%0.10634%0.342CS..EExtended strand (participates in β ladder)trans-156.8148.9-176.3175.792.5000110.5V115 F116 V117 L132 Y220 L223 E224V115-W130 HydrophobicContact CB-CZ3 4.33Å; V115-W130 HydrophobicContact CG1-CZ3 4.09Å; F116-W130 CarbonylContact C-O 3.47Å; F116-W130 WeakPolarHBondContact CA-O 3.25Å; V117-W130 HydrophobicContact CB-CB 4.4Å; V117-W130 HydrophobicContact CG2-CE3 3.93Å; V117-W130 PolarHBondContact N-O 3.15Å; V117-W130 PolarHBondContact O-N 3.47Å; W130-L132 HydrophobicContact CH2-CB 4.25Å; W130-L132 HydrophobicContact CH2-CD1 3.8Å; W130-L132 HydrophobicContact CH2-CG 3.78Å; W130-L132 HydrophobicContact CZ2-CB 4.47Å; W130-L132 HydrophobicContact CZ2-CD1 3.64Å; W130-L132 HydrophobicContact CZ2-CG 3.55Å; W130-Y220 HydrophobicContact CB-CD1 4.13Å; W130-Y220 HydrophobicContact CB-CD2 4.25Å; W130-Y220 HydrophobicContact CB-CE1 3.75Å; W130-Y220 HydrophobicContact CB-CE2 3.87Å; W130-Y220 HydrophobicContact CB-CG 4.36Å; W130-Y220 AromaticContact CD1-CD2 3.27Å; W130-Y220 AromaticContact CD1-CE2 3.52Å; W130-Y220 AromaticContact CD1-CG 3.7Å; W130-Y220 AromaticContact CD2-CD1 3.9Å; W130-Y220 HydrophobicContact CD2-CD1 3.9Å; W130-Y220 HydrophobicContact CD2-CD2 4.12Å; W130-Y220 HydrophobicContact CD2-CE1 4.44Å; W130-Y220 AromaticContact CD2-CG 3.72Å; W130-Y220 HydrophobicContact CD2-CG 3.72Å; W130-Y220 AromaticContact CE2-CG 3.73Å; W130-Y220 HydrophobicContact CE3-CD1 4.28Å; W130-Y220 HydrophobicContact CE3-CG 4.42Å; W130-Y220 AromaticContact CG-CD1 3.87Å; W130-Y220 HydrophobicContact CG-CD1 3.87Å; W130-Y220 AromaticContact CG-CD2 3.65Å; W130-Y220 HydrophobicContact CG-CD2 3.65Å; W130-Y220 AromaticContact CG-CE1 3.98Å; W130-Y220 HydrophobicContact CG-CE1 3.98Å; W130-Y220 AromaticContact CG-CE2 3.75Å; W130-Y220 HydrophobicContact CG-CE2 3.75Å; W130-Y220 AromaticContact CG-CG 3.69Å; W130-Y220 HydrophobicContact CG-CG 3.69Å; W130-Y220 AromaticContact CG-CZ 3.91Å; W130-Y220 HydrophobicContact CZ2-CG 4.38Å; W130-Y220 AromaticContact NE1-CD2 3.51Å; W130-Y220 AromaticContact NE1-CG 3.71Å; W130-L223 HydrophobicContact CE3-CD1 4.36Å; W130-L223 HydrophobicContact CH2-CB 3.64Å; W130-L223 HydrophobicContact CZ3-CB 3.8Å; W130-L223 HydrophobicContact CZ3-CD1 3.95Å; W130-E224 HydrophobicContact CH2-CG 4.34Å; W130-E224 HydrophobicContact CZ2-CG 3.68Å
131C97.4Very high92.4Very high21 Ų2161.9 Ų61.914%0.14233%0.326CS..EExtended strand (participates in β ladder)trans-156.2160.217064.80000113.4V115 F116 V128 L138V115-C131 CarbonylContact O-C 3.6Å; V115-C131 VanDerWaalsContact O-CA 3.23Å; V115-C131 WeakPolarHBondContact O-CA 3.44Å; V115-C131 WeakPolarHBondContact O-CB 3.41Å; F116-C131 HydrophobicContact CB-CB 3.87Å; V128-C131 HydrophobicContact CG1-CB 4.21Å; C131-L138 HydrophobicContact CB-CD1 3.42Å; C131-L138 VanDerWaalsContact CB-CD1 3.42Å
132L96.6Very high92.7Very high22 Ų2261.1 Ų61.112%0.11532%0.321CS..EExtended strand (participates in β ladder)trans-129.4143.1163-75178.4000110.6A114 V115 W130 H134 E224 Y227A114-L132 CarbonylContact C-O 3.58Å; A114-L132 WeakPolarHBondContact CA-O 3.44Å; A114-L132 WeakPolarHBondContact CB-O 3.25Å; V115-L132 PolarHBondContact N-O 3.24Å; V115-L132 PolarHBondContact O-N 3.36Å; W130-L132 HydrophobicContact CH2-CB 4.25Å; W130-L132 HydrophobicContact CH2-CD1 3.8Å; W130-L132 HydrophobicContact CH2-CG 3.78Å; W130-L132 HydrophobicContact CZ2-CB 4.47Å; W130-L132 HydrophobicContact CZ2-CD1 3.64Å; W130-L132 HydrophobicContact CZ2-CG 3.55Å; L132-H134 WeakPolarHBondContact CD2-CE1 3.49Å; L132-E224 HydrophobicContact CD1-CB 4.32Å; L132-E224 HydrophobicContact CD1-CG 4.01Å; L132-Y227 HydrophobicContact CB-CD1 3.82Å; L132-Y227 HydrophobicContact CB-CE1 4.11Å; L132-Y227 HydrophobicContact CB-CG 4.03Å; L132-Y227 HydrophobicContact CD1-CD1 3.89Å; L132-Y227 HydrophobicContact CD1-CG 4.29Å; L132-Y227 HydrophobicContact CG-CD1 4.46Å
133P95.5Very high93.1Very high32 Ų3263.4 Ų63.421%0.20833%0.327CS..SBendcis-72.9151.3-9.733.1-32.9000110.5V113 D135 V136 Y227V113-P133 WeakPolarHBondContact O-CD 3.4Å; P133-D135 PolarHBondContact O-N 3.16Å; P133-V136 HydrophobicContact CG-CB 4.07Å; P133-V136 HydrophobicContact CG-CG1 4.45Å; P133-V136 WeakPolarHBondContact O-CG1 3.42Å; P133-V136 PolarHBondContact O-N 3.09Å; P133-V136 VanDerWaalsContact O-N 3.12Å; P133-Y227 WeakPolarHBondContact CD-OH 3.3Å
134H91.1Very high93.6Very high152 Ų15253.6 Ų53.670%0.70429%0.29SS*.THydrogen-bonded Turntrans-62.1-16.6-169.3-64.1100000115.4L132L132-H134 WeakPolarHBondContact CD2-CE1 3.49Å
135D88.8Confident94Very high145 Ų14550.1 Ų50.178%0.77527%0.266SS*.THydrogen-bonded Turntrans-100.23.7-178.363.4-39.7000113.8P133P133-D135 PolarHBondContact O-N 3.16Å
136V91.8Very high94.1Very high38 Ų3849.5 Ų49.523%0.2326%0.257CS..  trans-74.6132.8-179.569.70000112.5A114 P133 L138A114-V136 HydrophobicContact CB-CG1 3.94Å; A114-V136 HydrophobicContact CB-CG2 4.24Å; P133-V136 HydrophobicContact CG-CB 4.07Å; P133-V136 HydrophobicContact CG-CG1 4.45Å; P133-V136 WeakPolarHBondContact O-CG1 3.42Å; P133-V136 PolarHBondContact O-N 3.09Å; P133-V136 VanDerWaalsContact O-N 3.12Å; V136-L138 HydrophobicContact CG1-CD1 3.96Å; V136-L138 HydrophobicContact CG1-CD2 3.97Å; V136-L138 HydrophobicContact CG1-CG 3.74Å; V136-L138 HydrophobicContact CG2-CD2 4.4Å; V136-L138 PolarHBondContact O-N 3.32Å; V136-L138 VanDerWaalsContact O-N 3.13Å
137N91.3Very high94.1Very high92 Ų9248.2 Ų48.249%0.49225%0.252SS..  trans-70.6107.8173.5-177.3-69.8000110.8D139 K162N137-D139 PolarHBondContact ND2-OD2 3.14Å; N137-D139 PolarHBondContact OD1-N 3.24Å; N137-D139 PolarHBondContact OD1-OD2 3.09Å; N137-K162 VanDerWaalsContact O-CE 3.3Å; N137-K162 WeakPolarHBondContact O-CE 3.32Å; N137-K162 WeakPolarHBondContact OD1-CE 3.32Å; N137-K162 PolarHBondContact OD1-NZ 2.81Å
138L93.4Very high94Very high10 Ų1048 Ų485%0.05226%0.257CS..  trans-10911.5176.3-62.5179.1000113.4A114 F116 V128 C131 V136 G140 V141 L192A114-L138 HydrophobicContact CB-CD2 4.36Å; F116-L138 HydrophobicContact CB-CD1 3.76Å; F116-L138 HydrophobicContact CD1-CD1 4.43Å; F116-L138 HydrophobicContact CD1-CD2 4.42Å; F116-L138 HydrophobicContact CG-CD1 4.31Å; V128-L138 HydrophobicContact CG1-CD1 4.24Å; V128-L138 HydrophobicContact CG2-CB 4.39Å; C131-L138 HydrophobicContact CB-CD1 3.42Å; C131-L138 VanDerWaalsContact CB-CD1 3.42Å; V136-L138 HydrophobicContact CG1-CD1 3.96Å; V136-L138 HydrophobicContact CG1-CD2 3.97Å; V136-L138 HydrophobicContact CG1-CG 3.74Å; V136-L138 HydrophobicContact CG2-CD2 4.4Å; V136-L138 PolarHBondContact O-N 3.32Å; V136-L138 VanDerWaalsContact O-N 3.13Å; L138-G140 PolarHBondContact O-N 3.32Å; L138-V141 HydrophobicContact CB-CB 4.27Å; L138-V141 HydrophobicContact CB-CG2 4.18Å; L138-V141 HydrophobicContact CD2-CG2 4.18Å; L138-V141 WeakPolarHBondContact O-CB 3.29Å; L138-V141 WeakPolarHBondContact O-CG2 3.36Å; L138-V141 PolarHBondContact O-N 3.04Å; L138-L192 HydrophobicContact CD2-CD1 3.69Å
139D91.9Very high93.8Very high112 Ų11246.6 Ų46.660%0.59925%0.252SS*.THydrogen-bonded Turntrans-49.7122.7-174.9-50.7-16.1000112.1N137 V141 K162N137-D139 PolarHBondContact ND2-OD2 3.14Å; N137-D139 PolarHBondContact OD1-N 3.24Å; N137-D139 PolarHBondContact OD1-OD2 3.09Å; D139-V141 VanDerWaalsContact C-N 3.31Å; D139-V141 PolarHBondContact O-N 2.68Å; D139-K162 PolarHBondContact O-NZ 2.77Å
140G92Very high93.6Very high17 Ų1743.8 Ų43.818%0.17524%0.239CC..THydrogen-bonded Turntrans80.3-1.3-179.300000116L138 E142 F143 K144L138-G140 PolarHBondContact O-N 3.32Å; G140-E142 WeakPolarHBondContact CA-OE1 3.32Å; G140-E142 WeakPolarHBondContact CA-OE2 3.27Å; G140-E142 PolarHBondContact N-OE1 3.01Å; G140-E142 VanDerWaalsContact N-OE1 3.07Å; G140-E142 PolarHBondContact N-OE2 3.33Å; G140-E142 PolarHBondContact O-N 2.92Å; G140-F143 PolarHBondContact O-N 2.81Å; G140-K144 PolarHBondContact O-N 2.93Å
141V95.5Very high93.3Very high0 Ų047.7 Ų47.70%026%0.258CS..Hα-helixtrans-65.3-30.7172.81710000110.7F116 L138 D139 F143 K144 S145 F160 K162F116-V141 HydrophobicContact CD1-CG1 4.19Å; F116-V141 HydrophobicContact CD2-CG1 4.02Å; F116-V141 HydrophobicContact CE1-CG1 3.77Å; F116-V141 HydrophobicContact CE2-CG1 3.59Å; F116-V141 HydrophobicContact CG-CG1 4.31Å; F116-V141 HydrophobicContact CZ-CG1 3.45Å; F116-V141 VanDerWaalsContact CZ-CG1 3.45Å; L138-V141 HydrophobicContact CB-CB 4.27Å; L138-V141 HydrophobicContact CB-CG2 4.18Å; L138-V141 HydrophobicContact CD2-CG2 4.18Å; L138-V141 WeakPolarHBondContact O-CB 3.29Å; L138-V141 WeakPolarHBondContact O-CG2 3.36Å; L138-V141 PolarHBondContact O-N 3.04Å; D139-V141 VanDerWaalsContact C-N 3.31Å; D139-V141 PolarHBondContact O-N 2.68Å; V141-F143 VanDerWaalsContact C-N 3.29Å; V141-F143 PolarHBondContact O-N 3.05Å; V141-K144 PolarHBondContact O-N 2.97Å; V141-K144 VanDerWaalsContact O-N 3.14Å; V141-S145 WeakPolarHBondContact CG1-OG 3.31Å; V141-S145 VanDerWaalsContact O-CB 3.27Å; V141-S145 WeakPolarHBondContact O-CB 3.5Å; V141-S145 PolarHBondContact O-N 3.22Å; V141-S145 PolarHBondContact O-OG 2.93Å; V141-F160 HydrophobicContact CG1-CE2 4.31Å; V141-F160 HydrophobicContact CG1-CZ 3.87Å; V141-F160 HydrophobicContact CG2-CE2 4.34Å; V141-K162 HydrophobicContact CG2-CD 4.06Å; V141-K162 HydrophobicContact CG2-CG 4.1Å
142E94.9Very high93.1Very high31 Ų3156.6 Ų56.615%0.14529%0.289CS..Hα-helixtrans-60.1-32.2173.266.4-76.3178.400113.5V118 N126 V128 G140V118-E142 HydrophobicContact CG1-CB 3.83Å; V118-E142 HydrophobicContact CG2-CB 4.32Å; N126-E142 HydrophobicContact CB-CB 3.99Å; N126-E142 HydrophobicContact CB-CG 4.26Å; N126-E142 PolarHBondContact ND2-O 3.29Å; V128-E142 HydrophobicContact CG2-CB 4.36Å; G140-E142 WeakPolarHBondContact CA-OE1 3.32Å; G140-E142 WeakPolarHBondContact CA-OE2 3.27Å; G140-E142 PolarHBondContact N-OE1 3.01Å; G140-E142 VanDerWaalsContact N-OE1 3.07Å; G140-E142 PolarHBondContact N-OE2 3.33Å; G140-E142 PolarHBondContact O-N 2.92Å
143F93.8Very high93Very high100 Ų10057.2 Ų57.244%0.43929%0.292SS..Hα-helixtrans-89-12.5176-53.2-61.9000113.5N126 G140 V141 N337N126-F143 HydrophobicContact CB-CD1 4.3Å; N126-F143 HydrophobicContact CB-CE1 4.22Å; G140-F143 PolarHBondContact O-N 2.81Å; V141-F143 VanDerWaalsContact C-N 3.29Å; V141-F143 PolarHBondContact O-N 3.05Å; F143-N337 WeakPolarHBondContact CB-ND2 3.39Å; F143-N337 PolarHBondContact O-ND2 2.93Å
144K95.3Very high92.9Very high11 Ų1160.7 Ų60.75%0.04831%0.313CS..Hα-helixtrans-92.5-32.8172.8-71.2171.6176.6-83.20112.5G140 V141 I158 F160 R161 D340G140-K144 PolarHBondContact O-N 2.93Å; V141-K144 PolarHBondContact O-N 2.97Å; V141-K144 VanDerWaalsContact O-N 3.14Å; K144-I158 WeakPolarHBondContact O-CG2 3.33Å; K144-F160 HydrophobicContact CB-CB 4.08Å; K144-F160 HydrophobicContact CB-CD1 3.97Å; K144-F160 HydrophobicContact CB-CD2 3.92Å; K144-F160 HydrophobicContact CB-CE1 4.36Å; K144-F160 HydrophobicContact CB-CE2 4.31Å; K144-F160 HydrophobicContact CB-CG 3.73Å; K144-F160 HydrophobicContact CD-CB 4.22Å; K144-F160 HydrophobicContact CD-CD2 3.65Å; K144-F160 HydrophobicContact CD-CE2 4.27Å; K144-F160 HydrophobicContact CD-CG 4.1Å; K144-F160 HydrophobicContact CG-CB 4.39Å; K144-F160 HydrophobicContact CG-CD2 4.36Å; K144-F160 HydrophobicContact CG-CG 4.38Å; K144-R161 WeakPolarHBondContact CE-O 3.33Å; K144-R161 PolarHBondContact NZ-O 2.89Å; K144-D340 VanDerWaalsContact CE-OD1 3.27Å; K144-D340 WeakPolarHBondContact CE-OD1 2.92Å; K144-D340 IonicContact NZ-OD1 2.65Å; K144-D340 PolarHBondContact NZ-OD1 3.35Å; K144-D340 IonicContact NZ-OD2 3.35Å; K144-D340 PolarHBondContact NZ-OD2 3.48Å
145S95.3Very high93.1Very high0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-85.1-14-177.2-52.10000113.5F116 V141 S188F116-S145 VanDerWaalsContact CE2-OG 3.25Å; F116-S145 WeakPolarHBondContact CE2-OG 3.45Å; V141-S145 WeakPolarHBondContact CG1-OG 3.31Å; V141-S145 VanDerWaalsContact O-CB 3.27Å; V141-S145 WeakPolarHBondContact O-CB 3.5Å; V141-S145 PolarHBondContact O-N 3.22Å; V141-S145 PolarHBondContact O-OG 2.93Å; S145-S188 VanDerWaalsContact O-CB 3.25Å; S145-S188 WeakPolarHBondContact O-CB 3.47Å; S145-S188 PolarHBondContact O-OG 2.89Å
146M94.1Very high93.4Very high10 Ų1049.6 Ų49.65%0.04926%0.263CS..SBendtrans-137.390.4175.5-73-174.653.900108.6V118 F120 N126 F171 M186V118-M146 HydrophobicContact CB-SD 4.42Å; V118-M146 HydrophobicContact CG1-CG 4.22Å; V118-M146 HydrophobicContact CG1-SD 3.74Å; F120-M146 HydrophobicContact CB-CE 3.89Å; N126-M146 WeakPolarHBondContact ND2-CB 3.37Å; N126-M146 PolarHBondContact ND2-O 3.31Å; M146-F171 HydrophobicContact CE-CD2 4.38Å; M146-F171 HydrophobicContact CE-CE2 3.83Å; M146-F171 HydrophobicContact CG-CD2 3.89Å; M146-F171 HydrophobicContact CG-CE2 4.27Å; M146-F171 HydrophobicContact SD-CD2 4.42Å; M146-F171 HydrophobicContact SD-CE2 4.41Å; M146-M186 HydrophobicContact CE-CB 3.92Å
147A93.3Very high93.6Very high7 Ų748.8 Ų48.86%0.05826%0.256CS..  trans-65.8156.4-17500000113G149 S150 I158 I302 Y335 T355A147-G149 PolarHBondContact O-N 3.48Å; A147-S150 PolarHBondContact N-OG 2.92Å; A147-S150 WeakPolarHBondContact O-CB 3.37Å; A147-S150 PolarHBondContact O-N 3.2Å; A147-S150 VanDerWaalsContact O-N 3.08Å; A147-S150 PolarHBondContact O-OG 3.06Å; A147-S150 VanDerWaalsContact O-OG 3.09Å; A147-I158 HydrophobicContact CB-CD1 3.88Å; A147-I302 HydrophobicContact CB-CG1 4.43Å; A147-Y335 WeakPolarHBondContact CA-OH 3.41Å; A147-Y335 HydrophobicContact CB-CE1 3.93Å; A147-Y335 HydrophobicContact CB-CE2 3.97Å; A147-Y335 VanDerWaalsContact CB-CZ 3.5Å; A147-Y335 WeakPolarHBondContact CB-OH 3.41Å; A147-T355 HydrophobicContact CB-CG2 4.15Å
148S92.4Very high93.8Very high73 Ų7344.4 Ų44.451%0.5123%0.233SC..THydrogen-bonded Turntrans-59.6126.5171.6-170.60000109.8P300 T355S148-P300 WeakPolarHBondContact O-CG 3.44Å; S148-T355 WeakPolarHBondContact O-CB 3.49Å; S148-T355 WeakPolarHBondContact O-CG2 3.48Å; S148-T355 PolarHBondContact O-OG1 2.97Å
149G91.9Very high93.9Very high15 Ų1544 Ų4416%0.15523%0.231CC..THydrogen-bonded Turntrans95-8.9-175.100000116.3A147 H151 R152A147-G149 PolarHBondContact O-N 3.48Å; G149-H151 PolarHBondContact O-N 2.96Å; G149-R152 WeakPolarHBondContact O-CB 3.18Å; G149-R152 WeakPolarHBondContact O-CG 2.93Å; G149-R152 PolarHBondContact O-N 2.93Å
150S92.2Very high94.1Very high3 Ų338.7 Ų38.72%0.02120%0.202CC..G310 helixtrans-59.4-21.4-176.9-67.30000114.6A147 R152 I153 F171A147-S150 PolarHBondContact N-OG 2.92Å; A147-S150 WeakPolarHBondContact O-CB 3.37Å; A147-S150 PolarHBondContact O-N 3.2Å; A147-S150 VanDerWaalsContact O-N 3.08Å; A147-S150 PolarHBondContact O-OG 3.06Å; A147-S150 VanDerWaalsContact O-OG 3.09Å; S150-R152 PolarHBondContact O-N 2.73Å; S150-R152 VanDerWaalsContact O-N 3.09Å; S150-I153 VanDerWaalsContact O-CG1 3.25Å; S150-I153 WeakPolarHBondContact O-CG1 3.39Å; S150-I153 PolarHBondContact O-N 3.47Å; S150-F171 WeakPolarHBondContact O-CE1 3.42Å; S150-F171 WeakPolarHBondContact O-CZ 3.45Å
151H91Very high94.2Very high110 Ų11040.2 Ų40.251%0.50920%0.203SC..G310 helixtrans-59.6-17.2172.663.8-96.7000114.5G149 N173 M186G149-H151 PolarHBondContact O-N 2.96Å; H151-N173 PolarHBondContact O-ND2 3.38Å; H151-M186 HydrophobicContact CB-CE 4.41Å; H151-M186 HydrophobicContact CB-SD 3.78Å
152R92.6Very high94Very high208 Ų20842.1 Ų42.179%0.78521%0.211SC*.G310 helixtrans-85.7-10.5-180-57.5-175.5179.4-169.7-2.2113.9G149 S150G149-R152 WeakPolarHBondContact O-CB 3.18Å; G149-R152 WeakPolarHBondContact O-CG 2.93Å; G149-R152 PolarHBondContact O-N 2.93Å; S150-R152 PolarHBondContact O-N 2.73Å; S150-R152 VanDerWaalsContact O-N 3.09Å
153I93.9Very high93.6Very high35 Ų3543.3 Ų43.318%0.17923%0.232CC..SBendtrans-122.2158.5-176.857.9174.2000110.6S150 D156 F171 N173 P300 P301S150-I153 VanDerWaalsContact O-CG1 3.25Å; S150-I153 WeakPolarHBondContact O-CG1 3.39Å; S150-I153 PolarHBondContact O-N 3.47Å; I153-D156 HydrophobicContact CD1-CB 3.71Å; I153-F171 HydrophobicContact CG1-CE1 4.2Å; I153-N173 VanDerWaalsContact O-CB 3.31Å; I153-N173 WeakPolarHBondContact O-CB 3.47Å; I153-N173 PolarHBondContact O-ND2 3.45Å; I153-P300 HydrophobicContact CD1-CB 3.6Å; I153-P300 HydrophobicContact CG1-CB 4.41Å; I153-P301 HydrophobicContact CD1-CB 4.14Å
154T94.9Very high93.3Very high106 Ų10643 Ų4365%0.6523%0.23SC*.SBendtrans-87-29.6-178.249.10000113A172 N173T154-A172 CarbonylContact O-C 3.57Å; T154-A172 WeakPolarHBondContact O-CA 3.22Å; T154-N173 PolarHBondContact O-N 3.45Å
155S95.2Very high93.1Very high51 Ų5144.7 Ų44.736%0.35724%0.237SC..EExtended strand (participates in β ladder)trans-158.7153.7176.255.80000112F171S155-F171 WeakPolarHBondContact CA-O 3.22Å; S155-F171 WeakPolarHBondContact CB-O 3.47Å
156D95.4Very high93Very high12 Ų1245.2 Ų45.26%0.06424%0.239CC..EExtended strand (participates in β ladder)trans-152.3169174.3-155.7-4.2000109.5I153 C170 F171 P301 I302 G303I153-D156 HydrophobicContact CD1-CB 3.71Å; D156-C170 CarbonylContact O-C 3.59Å; D156-C170 WeakPolarHBondContact O-CA 3.43Å; D156-F171 HydrophobicContact CB-CB 4.21Å; D156-F171 HydrophobicContact CB-CD1 4.2Å; D156-F171 PolarHBondContact N-O 3.2Å; D156-F171 PolarHBondContact O-N 3.2Å; D156-P301 WeakPolarHBondContact OD1-CB 3.42Å; D156-P301 WeakPolarHBondContact OD2-CA 3.18Å; D156-I302 PolarHBondContact OD1-N 3.29Å; D156-I302 PolarHBondContact OD2-N 3.13Å; D156-G303 PolarHBondContact OD1-N 2.86Å; D156-G303 VanDerWaalsContact OD1-N 3.07Å
157F94.8Very high93Very high21 Ų2144.8 Ų44.89%0.09224%0.237CC..EExtended strand (participates in β ladder)trans-130.5147.2161.664.1-86.2000108.8Y159 L168 A169 M203 I263 G303F157-Y159 HydrophobicContact CD2-CD2 4.13Å; F157-Y159 AromaticContact CD2-CE2 3.92Å; F157-Y159 HydrophobicContact CD2-CE2 3.92Å; F157-Y159 HydrophobicContact CE2-CD2 4.32Å; F157-Y159 HydrophobicContact CE2-CE2 4.03Å; F157-L168 HydrophobicContact CB-CD1 4.27Å; F157-L168 HydrophobicContact CD2-CD1 4.3Å; F157-A169 CarbonylContact C-O 3.57Å; F157-A169 VanDerWaalsContact CA-O 3.26Å; F157-A169 WeakPolarHBondContact CA-O 3.3Å; F157-M203 HydrophobicContact CD1-SD 4.1Å; F157-M203 HydrophobicContact CD2-SD 4.01Å; F157-M203 HydrophobicContact CE1-SD 4.31Å; F157-M203 HydrophobicContact CE2-SD 4.22Å; F157-M203 HydrophobicContact CG-SD 3.95Å; F157-M203 HydrophobicContact CZ-SD 4.37Å; F157-I263 HydrophobicContact CE2-CD1 4.09Å; F157-I263 HydrophobicContact CE2-CG1 4.22Å; F157-I263 HydrophobicContact CZ-CD1 3.55Å; F157-I263 HydrophobicContact CZ-CG1 3.7Å; F157-I263 HydrophobicContact CZ-CG2 4.29Å; F157-G303 VanDerWaalsContact CE2-C 3.48Å; F157-G303 WeakPolarHBondContact CE2-O 3.45Å; F157-G303 VanDerWaalsContact CZ-C 3.41Å; F157-G303 VanDerWaalsContact CZ-CA 3.48Å; F157-G303 WeakPolarHBondContact O-CA 3.41Å; F157-G303 PolarHBondContact O-N 3.37Å
158I95.6Very high93.2Very high0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-135.3123.4-173.2-53.7177.2000108.4K144 A147 F160 L168 A169 I302 Y335K144-I158 WeakPolarHBondContact O-CG2 3.33Å; A147-I158 HydrophobicContact CB-CD1 3.88Å; I158-F160 HydrophobicContact CG2-CD1 4.44Å; I158-L168 WeakPolarHBondContact O-CA 3.15Å; I158-A169 PolarHBondContact N-O 2.92Å; I158-A169 PolarHBondContact O-N 3.47Å; I158-I302 HydrophobicContact CG1-CB 4.43Å; I158-I302 HydrophobicContact CG1-CG2 4.44Å; I158-I302 HydrophobicContact CG2-CG2 4.13Å; I158-Y335 VanDerWaalsContact CG2-CB 3.5Å; I158-Y335 HydrophobicContact CG2-CD1 3.92Å; I158-Y335 HydrophobicContact CG2-CG 3.86Å
159Y95.8Very high93.4Very high3 Ų341 Ų411%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-90.1142.5163.4-73.2-104.4000108.9F157 G167 L168 L199 Y200 M261 C306 F334 Y335F157-Y159 HydrophobicContact CD2-CD2 4.13Å; F157-Y159 AromaticContact CD2-CE2 3.92Å; F157-Y159 HydrophobicContact CD2-CE2 3.92Å; F157-Y159 HydrophobicContact CE2-CD2 4.32Å; F157-Y159 HydrophobicContact CE2-CE2 4.03Å; Y159-G167 VanDerWaalsContact CA-O 3.29Å; Y159-G167 WeakPolarHBondContact CA-O 3.48Å; Y159-L168 HydrophobicContact CD2-CD1 3.84Å; Y159-L168 HydrophobicContact CE1-CB 4.4Å; Y159-L168 HydrophobicContact CE1-CD1 4.39Å; Y159-L168 HydrophobicContact CE2-CD1 3.58Å; Y159-L168 HydrophobicContact CG-CD1 4.34Å; Y159-L199 HydrophobicContact CD1-CD1 4.2Å; Y159-L199 HydrophobicContact CE1-CB 3.83Å; Y159-L199 HydrophobicContact CE1-CD1 4.11Å; Y159-Y200 WeakPolarHBondContact OH-CA 3.47Å; Y159-Y200 PolarHBondContact OH-N 3.03Å; Y159-M261 HydrophobicContact CD1-SD 4.38Å; Y159-M261 HydrophobicContact CE1-SD 3.82Å; Y159-M261 HydrophobicContact CE2-SD 4.05Å; Y159-C306 HydrophobicContact CD2-CB 4.27Å; Y159-C306 PolarHBondContact O-SG 3.45Å; Y159-C306 VanDerWaalsContact O-SG 3.42Å; Y159-F334 VanDerWaalsContact C-CB 3.44Å; Y159-F334 HydrophobicContact CD1-CE2 4.49Å; Y159-F334 HydrophobicContact CD1-CZ 4.37Å; Y159-F334 HydrophobicContact CG-CD1 4.39Å; Y159-F334 HydrophobicContact CG-CE1 4.45Å; Y159-F334 WeakPolarHBondContact O-CB 3.08Å; Y159-Y335 VanDerWaalsContact O-CB 3.31Å; Y159-Y335 WeakPolarHBondContact O-CB 3.43Å; Y159-Y335 PolarHBondContact O-N 3.04Å
160F96.3Very high93.7Very high0 Ų040.3 Ų40.30%020%0.203CC..EExtended strand (participates in β ladder)trans-154.1165.3177.660.7-95.7000111.4F116 V141 K144 I158 K162 F166 G167 A169 L192F116-F160 HydrophobicContact CE1-CZ 4.38Å; F116-F160 HydrophobicContact CZ-CE1 4.34Å; F116-F160 AromaticContact CZ-CZ 3.86Å; F116-F160 HydrophobicContact CZ-CZ 3.86Å; V141-F160 HydrophobicContact CG1-CE2 4.31Å; V141-F160 HydrophobicContact CG1-CZ 3.87Å; V141-F160 HydrophobicContact CG2-CE2 4.34Å; K144-F160 HydrophobicContact CB-CB 4.08Å; K144-F160 HydrophobicContact CB-CD1 3.97Å; K144-F160 HydrophobicContact CB-CD2 3.92Å; K144-F160 HydrophobicContact CB-CE1 4.36Å; K144-F160 HydrophobicContact CB-CE2 4.31Å; K144-F160 HydrophobicContact CB-CG 3.73Å; K144-F160 HydrophobicContact CD-CB 4.22Å; K144-F160 HydrophobicContact CD-CD2 3.65Å; K144-F160 HydrophobicContact CD-CE2 4.27Å; K144-F160 HydrophobicContact CD-CG 4.1Å; K144-F160 HydrophobicContact CG-CB 4.39Å; K144-F160 HydrophobicContact CG-CD2 4.36Å; K144-F160 HydrophobicContact CG-CG 4.38Å; I158-F160 HydrophobicContact CG2-CD1 4.44Å; F160-K162 HydrophobicContact CE2-CB 4.3Å; F160-F166 WeakPolarHBondContact O-CA 3.35Å; F160-G167 PolarHBondContact N-O 3.11Å; F160-G167 PolarHBondContact O-N 3.04Å; F160-A169 HydrophobicContact CE1-CB 4.06Å; F160-L192 HydrophobicContact CE2-CD2 3.81Å; F160-L192 HydrophobicContact CZ-CD2 4.01Å
161R93.3Very high93.9Very high48 Ų4840.2 Ų40.218%0.18120%0.202CC..EExtended strand (participates in β ladder)trans-103.4138.4170.6-170.6174.9168.7-156.4-7.4111.3K144 G163 F333 E347K144-R161 WeakPolarHBondContact CE-O 3.33Å; K144-R161 PolarHBondContact NZ-O 2.89Å; R161-G163 PolarHBondContact NE-O 2.87Å; R161-G163 PolarHBondContact NH2-O 3.21Å; R161-F333 PolarHBondContact N-O 3.21Å; R161-E347 IonicContact CZ-OE1 2.75Å; R161-E347 IonicContact NH1-OE1 3.82Å; R161-E347 PolarHBondContact NH1-OE1 3Å; R161-E347 IonicContact NH2-OE1 2.7Å; R161-E347 PolarHBondContact NH2-OE1 3.3Å
162K91.4Very high94.2Very high40 Ų4035.2 Ų35.217%0.17418%0.18CC..EExtended strand (participates in β ladder)trans-129.693.6171.1171.664.8176.5179.40108.1N137 D139 V141 F160 K164 Y165 L192N137-K162 VanDerWaalsContact O-CE 3.3Å; N137-K162 WeakPolarHBondContact O-CE 3.32Å; N137-K162 WeakPolarHBondContact OD1-CE 3.32Å; N137-K162 PolarHBondContact OD1-NZ 2.81Å; D139-K162 PolarHBondContact O-NZ 2.77Å; V141-K162 HydrophobicContact CG2-CD 4.06Å; V141-K162 HydrophobicContact CG2-CG 4.1Å; F160-K162 HydrophobicContact CE2-CB 4.3Å; K162-K164 PolarHBondContact O-N 2.94Å; K162-K164 VanDerWaalsContact O-N 3.14Å; K162-Y165 PolarHBondContact N-O 2.98Å; K162-Y165 PolarHBondContact O-N 2.73Å; K162-L192 HydrophobicContact CG-CD1 4.42Å
163G87.6Confident94.3Very high57 Ų5726.8 Ų26.859%0.58815%0.15SC*.THydrogen-bonded Turntrans62.1-111.3-175.400000112.5R161R161-G163 PolarHBondContact NE-O 2.87Å; R161-G163 PolarHBondContact NH2-O 3.21Å
164K86.1Confident94.3Very high93 Ų9327 Ų2740%0.40415%0.151SC..THydrogen-bonded Turntrans-95.71.7177.270.7177-173.2174.10114.4K162K162-K164 PolarHBondContact O-N 2.94Å; K162-K164 VanDerWaalsContact O-N 3.14Å
165Y91.4Very high94Very high46 Ų4627.2 Ų27.218%0.1815%0.154CC..EExtended strand (participates in β ladder)trans-111.4153-178.2-55.9-62.1000111.2V113 K162 S193 P194V113-Y165 HydrophobicContact CB-CE1 4.43Å; V113-Y165 HydrophobicContact CG1-CD1 4.49Å; V113-Y165 HydrophobicContact CG1-CD2 4.43Å; V113-Y165 HydrophobicContact CG1-CE1 4.13Å; V113-Y165 HydrophobicContact CG1-CE2 4.04Å; V113-Y165 HydrophobicContact CG2-CD1 3.89Å; V113-Y165 HydrophobicContact CG2-CE1 3.65Å; K162-Y165 PolarHBondContact N-O 2.98Å; K162-Y165 PolarHBondContact O-N 2.73Å; Y165-S193 WeakPolarHBondContact CA-O 3.31Å; Y165-P194 HydrophobicContact CE1-CG 4.49Å
166F93.1Very high93.6Very high12 Ų1225.9 Ų25.95%0.05314%0.144CC..EExtended strand (participates in β ladder)trans-103.6138.7171.6-61.5-87000109.2F160 L192 S193 Y196 L199 W248 F334F160-F166 WeakPolarHBondContact O-CA 3.35Å; F166-L192 CarbonylContact O-C 3.59Å; F166-L192 WeakPolarHBondContact O-CA 3.28Å; F166-S193 PolarHBondContact N-O 3.19Å; F166-S193 PolarHBondContact O-N 3.46Å; F166-Y196 AromaticContact CD1-CD1 3.88Å; F166-Y196 HydrophobicContact CD1-CD1 3.88Å; F166-Y196 HydrophobicContact CD1-CG 4.32Å; F166-Y196 HydrophobicContact CD2-CD1 4.19Å; F166-Y196 AromaticContact CE1-CD1 3.72Å; F166-Y196 HydrophobicContact CE1-CD1 3.72Å; F166-Y196 HydrophobicContact CE1-CE1 4.43Å; F166-Y196 HydrophobicContact CE2-CD1 4.07Å; F166-Y196 HydrophobicContact CG-CD1 4.1Å; F166-Y196 HydrophobicContact CG-CG 4.43Å; F166-Y196 AromaticContact CZ-CD1 3.83Å; F166-Y196 HydrophobicContact CZ-CD1 3.83Å; F166-Y196 HydrophobicContact CZ-CE1 4.37Å; F166-L199 HydrophobicContact CB-CD1 4.04Å; F166-W248 AromaticContact CE2-CH2 3.6Å; F166-W248 HydrophobicContact CE2-CH2 3.6Å; F166-W248 HydrophobicContact CE2-CZ3 4.2Å; F166-W248 AromaticContact CZ-CH2 3.99Å; F166-W248 HydrophobicContact CZ-CH2 3.99Å; F166-W248 HydrophobicContact CZ-CZ3 4.16Å; F166-F334 HydrophobicContact CD1-CD2 4.28Å; F166-F334 AromaticContact CD1-CE2 3.98Å; F166-F334 HydrophobicContact CD1-CE2 3.98Å; F166-F334 HydrophobicContact CE1-CE2 4.32Å
167G95.3Very high92.9Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-112.7146.3176.200000112Y159 F160 I191Y159-G167 VanDerWaalsContact CA-O 3.29Å; Y159-G167 WeakPolarHBondContact CA-O 3.48Å; F160-G167 PolarHBondContact N-O 3.11Å; F160-G167 PolarHBondContact O-N 3.04Å; G167-I191 WeakPolarHBondContact CA-O 3.3Å
168L96.3Very high92Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-124.5126.2162.2169.863.6000107.5F157 I158 Y159 G190 I191 L199 M203 L206F157-L168 HydrophobicContact CB-CD1 4.27Å; F157-L168 HydrophobicContact CD2-CD1 4.3Å; I158-L168 WeakPolarHBondContact O-CA 3.15Å; Y159-L168 HydrophobicContact CD2-CD1 3.84Å; Y159-L168 HydrophobicContact CE1-CB 4.4Å; Y159-L168 HydrophobicContact CE1-CD1 4.39Å; Y159-L168 HydrophobicContact CE2-CD1 3.58Å; Y159-L168 HydrophobicContact CG-CD1 4.34Å; L168-G190 CarbonylContact O-C 3.54Å; L168-G190 WeakPolarHBondContact O-CA 3.12Å; L168-I191 HydrophobicContact CB-CG1 4.34Å; L168-I191 PolarHBondContact N-O 3.33Å; L168-I191 VanDerWaalsContact N-O 3.08Å; L168-I191 PolarHBondContact O-N 3.11Å; L168-L199 HydrophobicContact CB-CB 4Å; L168-L199 HydrophobicContact CB-CD1 3.99Å; L168-L199 HydrophobicContact CB-CD2 4.32Å; L168-L199 HydrophobicContact CB-CG 4.35Å; L168-L199 HydrophobicContact CD2-CB 4.11Å; L168-L199 WeakPolarHBondContact CD2-O 3.39Å; L168-M203 HydrophobicContact CD2-CB 4.13Å; L168-L206 HydrophobicContact CD2-CD1 4.02Å; L168-L206 HydrophobicContact CG-CD1 4.01Å
169A97.6Very high90.8Very high0 Ų045.2 Ų45.20%024%0.238CC..EExtended strand (participates in β ladder)trans-127.6138.7174.100000110.7F116 F157 I158 F160 V189F116-A169 HydrophobicContact CE2-CB 4.28Å; F116-A169 HydrophobicContact CZ-CB 4.27Å; F157-A169 CarbonylContact C-O 3.57Å; F157-A169 VanDerWaalsContact CA-O 3.26Å; F157-A169 WeakPolarHBondContact CA-O 3.3Å; I158-A169 PolarHBondContact N-O 2.92Å; I158-A169 PolarHBondContact O-N 3.47Å; F160-A169 HydrophobicContact CE1-CB 4.06Å; A169-V189 CarbonylContact C-O 3.57Å; A169-V189 WeakPolarHBondContact CA-O 3.35Å
170C97.4Very high89.8Confident1 Ų152.1 Ų52.11%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-108.4120.1174.5-65.60000109.3D156 S188 V189 L206 E207 V210D156-C170 CarbonylContact O-C 3.59Å; D156-C170 WeakPolarHBondContact O-CA 3.43Å; C170-S188 CarbonylContact O-C 3.57Å; C170-S188 VanDerWaalsContact O-CA 3.29Å; C170-S188 WeakPolarHBondContact O-CA 3.19Å; C170-S188 PolarHBondContact O-OG 3.34Å; C170-V189 PolarHBondContact N-O 3.35Å; C170-V189 PolarHBondContact O-N 3.02Å; C170-L206 HydrophobicContact CB-CB 3.9Å; C170-E207 HydrophobicContact CB-CG 4.21Å; C170-V210 HydrophobicContact CB-CG1 4.31Å; C170-V210 WeakPolarHBondContact O-CB 3.43Å; C170-V210 WeakPolarHBondContact O-CG2 3.27Å
171F97.4Very high88.8Confident2 Ų254.9 Ų54.91%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-94.8143.3-179.8169.4-102.7000110.8M146 S150 I153 S155 D156 N173 M186 K187M146-F171 HydrophobicContact CE-CD2 4.38Å; M146-F171 HydrophobicContact CE-CE2 3.83Å; M146-F171 HydrophobicContact CG-CD2 3.89Å; M146-F171 HydrophobicContact CG-CE2 4.27Å; M146-F171 HydrophobicContact SD-CD2 4.42Å; M146-F171 HydrophobicContact SD-CE2 4.41Å; S150-F171 WeakPolarHBondContact O-CE1 3.42Å; S150-F171 WeakPolarHBondContact O-CZ 3.45Å; I153-F171 HydrophobicContact CG1-CE1 4.2Å; S155-F171 WeakPolarHBondContact CA-O 3.22Å; S155-F171 WeakPolarHBondContact CB-O 3.47Å; D156-F171 HydrophobicContact CB-CB 4.21Å; D156-F171 HydrophobicContact CB-CD1 4.2Å; D156-F171 PolarHBondContact N-O 3.2Å; D156-F171 PolarHBondContact O-N 3.2Å; F171-N173 HydrophobicContact CE1-CB 3.98Å; F171-N173 HydrophobicContact CZ-CB 3.79Å; F171-M186 HydrophobicContact CE2-CB 3.99Å; F171-M186 HydrophobicContact CE2-CG 4.21Å; F171-M186 HydrophobicContact CZ-CB 4.36Å; F171-M186 HydrophobicContact CZ-CG 4.07Å; F171-M186 HydrophobicContact CZ-SD 4.23Å; F171-K187 WeakPolarHBondContact CA-O 3.41Å; F171-K187 VanDerWaalsContact CD2-O 3.3Å; F171-K187 WeakPolarHBondContact CD2-O 3.34Å
172A96.9Very high88Confident5 Ų561.9 Ų61.94%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-145.1151.2164.900000112.3T154 K187 V210 L214T154-A172 CarbonylContact O-C 3.57Å; T154-A172 WeakPolarHBondContact O-CA 3.22Å; A172-K187 PolarHBondContact N-O 2.84Å; A172-K187 PolarHBondContact O-N 2.66Å; A172-K187 VanDerWaalsContact O-O 3.13Å; A172-V210 HydrophobicContact CB-CB 4.49Å; A172-V210 HydrophobicContact CB-CG1 3.79Å; A172-V210 HydrophobicContact CB-CG2 3.94Å; A172-L214 HydrophobicContact CB-CD1 3.54Å
173N95Very high87.5Confident30 Ų3061.7 Ų61.716%0.1632%0.323CS..EExtended strand (participates in β ladder)trans-130130.1-178179.813.3000109H151 I153 T154 F171 R185 M186H151-N173 PolarHBondContact O-ND2 3.38Å; I153-N173 VanDerWaalsContact O-CB 3.31Å; I153-N173 WeakPolarHBondContact O-CB 3.47Å; I153-N173 PolarHBondContact O-ND2 3.45Å; T154-N173 PolarHBondContact O-N 3.45Å; F171-N173 HydrophobicContact CE1-CB 3.98Å; F171-N173 HydrophobicContact CZ-CB 3.79Å; N173-R185 WeakPolarHBondContact CA-O 3.21Å; N173-M186 HydrophobicContact CB-CG 3.92Å; N173-M186 WeakPolarHBondContact OD1-CG 3.35Å
174M92.9Very high87.5Confident40 Ų4060.5 Ų60.520%0.19731%0.307CS..EExtended strand (participates in β ladder)trans-131.9129.8-179.9-179.5-177.478.400109.8V176 R185 L214 H215M174-V176 HydrophobicContact CE-CG1 3.67Å; M174-R185 PolarHBondContact N-O 3.48Å; M174-R185 PolarHBondContact O-N 2.82Å; M174-L214 HydrophobicContact CB-CD1 4.02Å; M174-L214 HydrophobicContact CE-CB 4.35Å; M174-L214 HydrophobicContact SD-CB 4.38Å; M174-H215 PolarHBondContact SD-CE1 3.23Å
175P89.5Confident87.7Confident110 Ų11058.6 Ų58.671%0.71430%0.297SS*.EExtended strand (participates in β ladder)trans-64.4141.5172.428.7-34.3000110.4G183P175-G183 CarbonylContact C-O 3.58Å; P175-G183 VanDerWaalsContact CA-O 3.32Å; P175-G183 WeakPolarHBondContact CA-O 3.44Å
176V87.5Confident87.9Confident23 Ų2357.3 Ų57.314%0.13929%0.293CS..  trans-136.5140.5-178.7-720000111.1M174 S178 E181 G183 R185M174-V176 HydrophobicContact CE-CG1 3.67Å; V176-S178 PolarHBondContact O-N 3.22Å; V176-E181 HydrophobicContact CG2-CB 3.83Å; V176-G183 PolarHBondContact N-O 2.87Å; V176-G183 CarbonylContact O-C 3.53Å; V176-G183 VanDerWaalsContact O-CA 3.24Å; V176-G183 WeakPolarHBondContact O-CA 3.39Å; V176-R185 HydrophobicContact CG1-CB 3.76Å; V176-R185 HydrophobicContact CG2-CB 4.19Å
177E79.6Confident88.1Confident214 Ų21457 Ų57100%129%0.292SS*.SBendtrans-79.965.4173.9-63.8-176.6175.800110.4
178S76.3Confident88.2Confident33 Ų3357 Ų5723%0.23129%0.292CS..  trans-142.3117.1-178175.90000111.1V176 L180 E181 R182 G183V176-S178 PolarHBondContact O-N 3.22Å; S178-L180 VanDerWaalsContact C-N 3.29Å; S178-L180 PolarHBondContact O-N 3.12Å; S178-E181 CarbonylContact O-C 3.58Å; S178-E181 PolarHBondContact O-N 2.92Å; S178-E181 PolarHBondContact OG-N 3.17Å; S178-R182 PolarHBondContact O-N 2.95Å; S178-G183 PolarHBondContact O-N 3.41Å
179E70.6Confident88.3Confident192 Ų19257 Ų5790%0.89729%0.292SS*.THydrogen-bonded Turntrans-64.7-34.6174.3-64-171.7159.300111.8E181 R182E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 2.64Å; E179-R182 PolarHBondContact O-N 2.95Å; E179-R182 VanDerWaalsContact O-N 3.1Å
180L73.8Confident88.3Confident148 Ų14857 Ų5778%0.77529%0.292SS*.THydrogen-bonded Turntrans-63.3-36.8178.1-62.8175.9000112T122 S178 R182T122-L180 WeakPolarHBondContact CG2-O 3.35Å; T122-L180 PolarHBondContact OG1-O 3.37Å; T122-L180 VanDerWaalsContact OG1-O 3.14Å; S178-L180 VanDerWaalsContact C-N 3.29Å; S178-L180 PolarHBondContact O-N 3.12Å; L180-R182 VanDerWaalsContact C-N 3.33Å
181E75.7Confident88.3Confident58 Ų5856.9 Ų56.927%0.27129%0.291SS..THydrogen-bonded Turntrans-93.510.8177.1-61.6177.9-139.600112.2V176 S178 E179 G183 A184 R185V176-E181 HydrophobicContact CG2-CB 3.83Å; S178-E181 CarbonylContact O-C 3.58Å; S178-E181 PolarHBondContact O-N 2.92Å; S178-E181 PolarHBondContact OG-N 3.17Å; E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 2.64Å; E181-G183 PolarHBondContact O-N 3.42Å; E181-G183 VanDerWaalsContact O-N 3.1Å; E181-A184 PolarHBondContact O-N 3.48Å; E181-A184 VanDerWaalsContact O-N 3.12Å; E181-A184 VanDerWaalsContact O-O 3.1Å; E181-R185 IonicContact OE1-CZ 3.37Å; E181-R185 IonicContact OE1-NE 2.87Å; E181-R185 IonicContact OE1-NH2 3.18Å; E181-R185 PolarHBondContact OE1-NH2 3.46Å; E181-R185 WeakPolarHBondContact OE2-CB 3.41Å; E181-R185 IonicContact OE2-CZ 3.45Å; E181-R185 IonicContact OE2-NE 3.63Å; E181-R185 PolarHBondContact OE2-NE 3.38Å; E181-R185 IonicContact OE2-NH2 3.06Å; E181-R185 PolarHBondContact OE2-NH2 3.29Å
182R76.9Confident88.2Confident196 Ų19656.9 Ų56.974%0.7429%0.291SS*.THydrogen-bonded Turntrans51.333.2178.6-71.2-179.7152.7-178.6-6.3114.6T122 S178 E179 L180 A184T122-R182 HydrophobicContact CG2-CB 4.32Å; T122-R182 HydrophobicContact CG2-CG 4.02Å; S178-R182 PolarHBondContact O-N 2.95Å; E179-R182 PolarHBondContact O-N 2.95Å; E179-R182 VanDerWaalsContact O-N 3.1Å; L180-R182 VanDerWaalsContact C-N 3.33Å; R182-A184 VanDerWaalsContact C-N 3.32Å; R182-A184 PolarHBondContact O-N 2.8Å
183G81Confident88Confident36 Ų3657 Ų5737%0.37129%0.292SS..THydrogen-bonded Turntrans82.3-3.8177.800000116P175 V176 S178 E181P175-G183 CarbonylContact C-O 3.58Å; P175-G183 VanDerWaalsContact CA-O 3.32Å; P175-G183 WeakPolarHBondContact CA-O 3.44Å; V176-G183 PolarHBondContact N-O 2.87Å; V176-G183 CarbonylContact O-C 3.53Å; V176-G183 VanDerWaalsContact O-CA 3.24Å; V176-G183 WeakPolarHBondContact O-CA 3.39Å; S178-G183 PolarHBondContact O-N 3.41Å; E181-G183 PolarHBondContact O-N 3.42Å; E181-G183 VanDerWaalsContact O-N 3.1Å
184A86.9Confident87.6Confident31 Ų3157.5 Ų57.526%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-146.5122.4-176.200000113.2E181 R182E181-A184 PolarHBondContact O-N 3.48Å; E181-A184 VanDerWaalsContact O-N 3.12Å; E181-A184 VanDerWaalsContact O-O 3.1Å; R182-A184 VanDerWaalsContact C-N 3.32Å; R182-A184 PolarHBondContact O-N 2.8Å
185R91.5Very high87.2Confident54 Ų5456.1 Ų56.120%0.20429%0.291CS..EExtended strand (participates in β ladder)trans-95.8122.3173.2-170.6178.6-70.2164.9-1.3109.6N173 M174 V176 E181 L214N173-R185 WeakPolarHBondContact CA-O 3.21Å; M174-R185 PolarHBondContact N-O 3.48Å; M174-R185 PolarHBondContact O-N 2.82Å; V176-R185 HydrophobicContact CG1-CB 3.76Å; V176-R185 HydrophobicContact CG2-CB 4.19Å; E181-R185 IonicContact OE1-CZ 3.37Å; E181-R185 IonicContact OE1-NE 2.87Å; E181-R185 IonicContact OE1-NH2 3.18Å; E181-R185 PolarHBondContact OE1-NH2 3.46Å; E181-R185 WeakPolarHBondContact OE2-CB 3.41Å; E181-R185 IonicContact OE2-CZ 3.45Å; E181-R185 IonicContact OE2-NE 3.63Å; E181-R185 PolarHBondContact OE2-NE 3.38Å; E181-R185 IonicContact OE2-NH2 3.06Å; E181-R185 PolarHBondContact OE2-NH2 3.29Å; R185-L214 HydrophobicContact CB-CD2 4.13Å; R185-L214 WeakPolarHBondContact CD-O 3.3Å; R185-L214 HydrophobicContact CG-CD2 3.66Å; R185-L214 PolarHBondContact NH1-O 3.06Å; R185-L214 WeakPolarHBondContact O-CD2 3.1Å
186M94.6Very high87Confident18 Ų1851.6 Ų51.69%0.08926%0.26CS..EExtended strand (participates in β ladder)trans-123.9127.3-177.3-72.6179.1-72.700110.2F120 M146 H151 F171 N173F120-M186 HydrophobicContact CB-CB 4.08Å; F120-M186 HydrophobicContact CB-CE 4.09Å; F120-M186 HydrophobicContact CD1-CE 3.54Å; F120-M186 HydrophobicContact CD2-CE 4.47Å; F120-M186 HydrophobicContact CE1-CE 4.04Å; F120-M186 HydrophobicContact CG-CE 3.78Å; F120-M186 PolarHBondContact N-O 2.69Å; M146-M186 HydrophobicContact CE-CB 3.92Å; H151-M186 HydrophobicContact CB-CE 4.41Å; H151-M186 HydrophobicContact CB-SD 3.78Å; F171-M186 HydrophobicContact CE2-CB 3.99Å; F171-M186 HydrophobicContact CE2-CG 4.21Å; F171-M186 HydrophobicContact CZ-CB 4.36Å; F171-M186 HydrophobicContact CZ-CG 4.07Å; F171-M186 HydrophobicContact CZ-SD 4.23Å; N173-M186 HydrophobicContact CB-CG 3.92Å; N173-M186 WeakPolarHBondContact OD1-CG 3.35Å
187K96.8Very high86.7Confident5 Ų551.3 Ų51.32%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-137.5159.1176-71.4-165.6176.3-153.20111.2V117 V118 E129 F171 A172 V210 Q213 L214V117-K187 HydrophobicContact CG1-CD 4.37Å; V118-K187 CarbonylContact O-C 3.57Å; V118-K187 VanDerWaalsContact O-CA 3.28Å; V118-K187 WeakPolarHBondContact O-CA 3.45Å; E129-K187 IonicContact OE1-NZ 2.69Å; E129-K187 PolarHBondContact OE1-NZ 3.16Å; E129-K187 WeakPolarHBondContact OE2-CE 3.26Å; E129-K187 IonicContact OE2-NZ 2.73Å; E129-K187 PolarHBondContact OE2-NZ 3.44Å; F171-K187 WeakPolarHBondContact CA-O 3.41Å; F171-K187 VanDerWaalsContact CD2-O 3.3Å; F171-K187 WeakPolarHBondContact CD2-O 3.34Å; A172-K187 PolarHBondContact N-O 2.84Å; A172-K187 PolarHBondContact O-N 2.66Å; A172-K187 VanDerWaalsContact O-O 3.13Å; K187-V210 HydrophobicContact CB-CG2 4.02Å; K187-V210 VanDerWaalsContact O-CG2 3.27Å; K187-V210 WeakPolarHBondContact O-CG2 3.16Å; K187-Q213 HydrophobicContact CD-CB 3.71Å; K187-L214 HydrophobicContact CB-CD2 3.96Å; K187-L214 HydrophobicContact CB-CG 4.5Å; K187-L214 HydrophobicContact CD-CD2 4.46Å; K187-L214 HydrophobicContact CG-CD2 3.97Å
188S97.9Very high86.9Confident0 Ų041.5 Ų41.50%021%0.213CC..EExtended strand (participates in β ladder)trans-138.1133170.8-166.80000109.8V117 V118 S145 C170V117-S188 CarbonylContact C-O 3.57Å; V117-S188 WeakPolarHBondContact CA-O 3.47Å; V118-S188 PolarHBondContact N-O 2.93Å; V118-S188 PolarHBondContact O-N 2.78Å; S145-S188 VanDerWaalsContact O-CB 3.25Å; S145-S188 WeakPolarHBondContact O-CB 3.47Å; S145-S188 PolarHBondContact O-OG 2.89Å; C170-S188 CarbonylContact O-C 3.57Å; C170-S188 VanDerWaalsContact O-CA 3.29Å; C170-S188 WeakPolarHBondContact O-CA 3.19Å; C170-S188 PolarHBondContact O-OG 3.34Å
189V98.4Very high87.4Confident0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-116.6127.4178.6-1790000108.3F116 V117 A169 C170 L206 Q209 V210 Q213 L223F116-V189 WeakPolarHBondContact O-CA 3.33Å; V117-V189 HydrophobicContact CG1-CG2 4.3Å; V117-V189 HydrophobicContact CG2-CG2 4.13Å; A169-V189 CarbonylContact C-O 3.57Å; A169-V189 WeakPolarHBondContact CA-O 3.35Å; C170-V189 PolarHBondContact N-O 3.35Å; C170-V189 PolarHBondContact O-N 3.02Å; V189-L206 HydrophobicContact CG1-CD2 4.01Å; V189-Q209 HydrophobicContact CG1-CB 4.12Å; V189-V210 HydrophobicContact CB-CB 4.09Å; V189-V210 HydrophobicContact CG2-CB 3.69Å; V189-V210 HydrophobicContact CG2-CG2 4.05Å; V189-Q213 HydrophobicContact CG2-CG 4.09Å; V189-L223 HydrophobicContact CG1-CD1 4.06Å; V189-L223 HydrophobicContact CG1-CD2 3.78Å
190G97.9Very high88.2Confident0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-148.1172.2-174.100000115.1V115 F116 L168V115-G190 CarbonylContact C-O 3.49Å; V115-G190 WeakPolarHBondContact CA-O 3.47Å; F116-G190 WeakPolarHBondContact CD1-O 3.41Å; F116-G190 VanDerWaalsContact CE1-C 3.41Å; F116-G190 VanDerWaalsContact CZ-CA 3.47Å; F116-G190 PolarHBondContact N-O 2.77Å; F116-G190 PolarHBondContact O-N 2.97Å; L168-G190 CarbonylContact O-C 3.54Å; L168-G190 WeakPolarHBondContact O-CA 3.12Å
191I97.4Very high88.8Confident0 Ų031.7 Ų31.70%015%0.152CC..EExtended strand (participates in β ladder)trans-137.4153.2-174.161.4-179.2000110.2I112 A114 V115 G167 L168 L199 Y202 L206 F226I112-I191 HydrophobicContact CD1-CB 4.39Å; I112-I191 HydrophobicContact CD1-CD1 3.91Å; I112-I191 HydrophobicContact CG2-CB 4.47Å; A114-I191 CarbonylContact O-C 3.56Å; A114-I191 VanDerWaalsContact O-CA 3.26Å; A114-I191 WeakPolarHBondContact O-CA 3.32Å; V115-I191 HydrophobicContact CB-CG2 4.44Å; V115-I191 HydrophobicContact CG1-CG2 4.15Å; V115-I191 HydrophobicContact CG2-CG2 4.06Å; G167-I191 WeakPolarHBondContact CA-O 3.3Å; L168-I191 HydrophobicContact CB-CG1 4.34Å; L168-I191 PolarHBondContact N-O 3.33Å; L168-I191 VanDerWaalsContact N-O 3.08Å; L168-I191 PolarHBondContact O-N 3.11Å; I191-L199 HydrophobicContact CD1-CD2 3.6Å; I191-L199 HydrophobicContact CG1-CD2 3.77Å; I191-Y202 HydrophobicContact CD1-CD2 3.44Å; I191-Y202 VanDerWaalsContact CD1-CD2 3.44Å; I191-Y202 HydrophobicContact CD1-CE2 4.35Å; I191-Y202 HydrophobicContact CD1-CG 3.94Å; I191-L206 HydrophobicContact CD1-CD1 3.95Å; I191-L206 HydrophobicContact CG1-CD1 3.95Å; I191-L206 HydrophobicContact CG2-CD1 4.28Å; I191-L206 HydrophobicContact CG2-CD2 3.71Å; I191-F226 HydrophobicContact CG2-CE1 3.92Å
192L96Very high89.6Confident2 Ų229.7 Ų29.71%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-115.8141.9170.4-60.7-176.2000110.8V113 A114 F116 L138 F160 K162 F166V113-L192 HydrophobicContact CB-CB 4.31Å; V113-L192 PolarHBondContact N-O 3.3Å; A114-L192 HydrophobicContact CB-CB 4.29Å; A114-L192 HydrophobicContact CB-CD1 4.24Å; A114-L192 HydrophobicContact CB-CG 4.34Å; A114-L192 PolarHBondContact O-N 2.79Å; F116-L192 HydrophobicContact CE1-CD2 4.13Å; F116-L192 HydrophobicContact CE1-CG 4.1Å; L138-L192 HydrophobicContact CD2-CD1 3.69Å; F160-L192 HydrophobicContact CE2-CD2 3.81Å; F160-L192 HydrophobicContact CZ-CD2 4.01Å; K162-L192 HydrophobicContact CG-CD1 4.42Å; F166-L192 CarbonylContact O-C 3.59Å; F166-L192 WeakPolarHBondContact O-CA 3.28Å
193S91.9Very high90.3Very high7 Ų721.1 Ų21.15%0.04911%0.111CC..EExtended strand (participates in β ladder)trans-140.5153.2179.31710000110.8Y165 F166 S195Y165-S193 WeakPolarHBondContact CA-O 3.31Å; F166-S193 PolarHBondContact N-O 3.19Å; F166-S193 PolarHBondContact O-N 3.46Å; S193-S195 VanDerWaalsContact CB-O 3.27Å; S193-S195 WeakPolarHBondContact CB-O 3.45Å; S193-S195 PolarHBondContact O-N 2.88Å; S193-S195 PolarHBondContact OG-N 3.44Å; S193-S195 VanDerWaalsContact OG-N 3.1Å; S193-S195 PolarHBondContact OG-O 2.88Å
194P87.5Confident90.8Very high40 Ų4025.2 Ų25.226%0.2612%0.12SC..SBendtrans-65.2-20.1168.5-18.633.5000113.6Q111 V113 Y165Q111-P194 HydrophobicContact CB-CG 4.27Å; Q111-P194 WeakPolarHBondContact O-CD 3.26Å; V113-P194 HydrophobicContact CG2-CG 4.08Å; Y165-P194 HydrophobicContact CE1-CG 4.49Å
195S83.4Confident91.2Very high12 Ų1226.3 Ų26.38%0.08412%0.119CC..  trans-132.4138.6-178.2-173.40000111.3E108 S193 T197E108-S195 WeakPolarHBondContact OE1-CB 3.26Å; E108-S195 PolarHBondContact OE1-OG 3.28Å; S193-S195 VanDerWaalsContact CB-O 3.27Å; S193-S195 WeakPolarHBondContact CB-O 3.45Å; S193-S195 PolarHBondContact O-N 2.88Å; S193-S195 PolarHBondContact OG-N 3.44Å; S193-S195 VanDerWaalsContact OG-N 3.1Å; S193-S195 PolarHBondContact OG-O 2.88Å; S195-T197 PolarHBondContact OG-N 3.28Å; S195-T197 PolarHBondContact OG-OG1 2.77Å
196Y85.1Confident91.5Very high14 Ų1423.8 Ų23.86%0.05511%0.11CC..SBendtrans-83-19.2176.365.9-93.1000113.3F166 L198 L199 W248 M257 Y310 P332 F334F166-Y196 AromaticContact CD1-CD1 3.88Å; F166-Y196 HydrophobicContact CD1-CD1 3.88Å; F166-Y196 HydrophobicContact CD1-CG 4.32Å; F166-Y196 HydrophobicContact CD2-CD1 4.19Å; F166-Y196 AromaticContact CE1-CD1 3.72Å; F166-Y196 HydrophobicContact CE1-CD1 3.72Å; F166-Y196 HydrophobicContact CE1-CE1 4.43Å; F166-Y196 HydrophobicContact CE2-CD1 4.07Å; F166-Y196 HydrophobicContact CG-CD1 4.1Å; F166-Y196 HydrophobicContact CG-CG 4.43Å; F166-Y196 AromaticContact CZ-CD1 3.83Å; F166-Y196 HydrophobicContact CZ-CD1 3.83Å; F166-Y196 HydrophobicContact CZ-CE1 4.37Å; Y196-L198 PolarHBondContact O-N 3.04Å; Y196-L199 PolarHBondContact O-N 2.8Å; Y196-W248 HydrophobicContact CE1-CH2 4.41Å; Y196-M257 VanDerWaalsContact OH-CE 3.24Å; Y196-M257 WeakPolarHBondContact OH-CE 3.49Å; Y196-Y310 HydrophobicContact CE2-CD2 4.15Å; Y196-Y310 HydrophobicContact CE2-CE2 4.32Å; Y196-P332 HydrophobicContact CD1-CG 4.22Å; Y196-P332 HydrophobicContact CE1-CG 3.66Å; Y196-F334 HydrophobicContact CD1-CE2 4.24Å; Y196-F334 HydrophobicContact CD2-CE2 4.28Å; Y196-F334 AromaticContact CD2-CZ 3.82Å; Y196-F334 HydrophobicContact CD2-CZ 3.82Å; Y196-F334 HydrophobicContact CE2-CZ 4.32Å; Y196-F334 AromaticContact CG-CE2 3.91Å; Y196-F334 HydrophobicContact CG-CE2 3.91Å; Y196-F334 AromaticContact CG-CZ 3.94Å; Y196-F334 HydrophobicContact CG-CZ 3.94Å
197T81.2Confident91.5Very high17 Ų1725 Ų2510%0.10412%0.115CC..THydrogen-bonded Turntrans-59.3-30.8-171.155.90000113.6E108 S195 Y200 C256E108-T197 PolarHBondContact OE1-OG1 3.04Å; E108-T197 PolarHBondContact OE2-OG1 3.25Å; S195-T197 PolarHBondContact OG-N 3.28Å; S195-T197 PolarHBondContact OG-OG1 2.77Å; T197-Y200 WeakPolarHBondContact O-CD1 3.34Å; T197-Y200 WeakPolarHBondContact O-CE1 3.46Å; T197-C256 WeakPolarHBondContact CG2-O 3.42Å
198L83.3Confident91.5Very high9 Ų928 Ų285%0.04713%0.132CC..THydrogen-bonded Turntrans-100.6-9.7-177.4-56.5-170.1000113.9E108 Y196 Y200 R201E108-L198 HydrophobicContact CB-CD1 4.12Å; E108-L198 HydrophobicContact CG-CD1 3.78Å; E108-L198 HydrophobicContact CG-CG 4.19Å; Y196-L198 PolarHBondContact O-N 3.04Å; L198-Y200 VanDerWaalsContact C-N 3.25Å; L198-Y200 PolarHBondContact O-N 3.36Å; L198-R201 WeakPolarHBondContact O-CB 3.39Å; L198-R201 WeakPolarHBondContact O-CG 3.24Å; L198-R201 PolarHBondContact O-N 3.49Å
199L88.1Confident91.5Very high1 Ų129.1 Ų29.11%0.00514%0.137CC..G310 helixtrans-59.9-34.9-173.5-72.7177.3000112.6Y159 F166 L168 I191 Y196 R201 Y202Y159-L199 HydrophobicContact CD1-CD1 4.2Å; Y159-L199 HydrophobicContact CE1-CB 3.83Å; Y159-L199 HydrophobicContact CE1-CD1 4.11Å; F166-L199 HydrophobicContact CB-CD1 4.04Å; L168-L199 HydrophobicContact CB-CB 4Å; L168-L199 HydrophobicContact CB-CD1 3.99Å; L168-L199 HydrophobicContact CB-CD2 4.32Å; L168-L199 HydrophobicContact CB-CG 4.35Å; L168-L199 HydrophobicContact CD2-CB 4.11Å; L168-L199 WeakPolarHBondContact CD2-O 3.39Å; I191-L199 HydrophobicContact CD1-CD2 3.6Å; I191-L199 HydrophobicContact CG1-CD2 3.77Å; Y196-L199 PolarHBondContact O-N 2.8Å; L199-R201 PolarHBondContact O-N 2.98Å; L199-R201 VanDerWaalsContact O-N 3.09Å; L199-Y202 PolarHBondContact O-N 3.32Å
200Y86.6Confident91.4Very high42 Ų4229.2 Ų29.217%0.16514%0.137CC..G310 helixtrans-53.5-32.4179.478.5-85.3000113.3Y159 T197 L198 Y202 M203 E260Y159-Y200 WeakPolarHBondContact OH-CA 3.47Å; Y159-Y200 PolarHBondContact OH-N 3.03Å; T197-Y200 WeakPolarHBondContact O-CD1 3.34Å; T197-Y200 WeakPolarHBondContact O-CE1 3.46Å; L198-Y200 VanDerWaalsContact C-N 3.25Å; L198-Y200 PolarHBondContact O-N 3.36Å; Y200-Y202 PolarHBondContact O-N 3.17Å; Y200-Y202 VanDerWaalsContact O-N 3.12Å; Y200-M203 VanDerWaalsContact O-CB 3.31Å; Y200-M203 WeakPolarHBondContact O-CB 3.41Å; Y200-M203 PolarHBondContact O-N 2.93Å; Y200-M203 VanDerWaalsContact O-N 3.08Å; Y200-E260 WeakPolarHBondContact CD1-O 3.25Å; Y200-E260 WeakPolarHBondContact CD2-O 3.41Å; Y200-E260 HydrophobicContact CE1-CB 4.36Å; Y200-E260 WeakPolarHBondContact CE1-O 3.15Å; Y200-E260 HydrophobicContact CE2-CB 3.98Å; Y200-E260 WeakPolarHBondContact CE2-O 3.34Å; Y200-E260 VanDerWaalsContact CZ-O 3.28Å; Y200-E260 PolarHBondContact OH-OE2 3.14Å
201R87.4Confident91.3Very high123 Ų12333.8 Ų33.846%0.46415%0.154SC..G310 helixtrans-59.7-25.1179.9-63.1-179.9173.6173.7-1.3112.7D110 L198 L199D110-R201 IonicContact OD1-NH1 2.63Å; L198-R201 WeakPolarHBondContact O-CB 3.39Å; L198-R201 WeakPolarHBondContact O-CG 3.24Å; L198-R201 PolarHBondContact O-N 3.49Å; L199-R201 PolarHBondContact O-N 2.98Å; L199-R201 VanDerWaalsContact O-N 3.09Å
202Y91.4Very high91.2Very high17 Ų1736.8 Ų36.87%0.06717%0.168CC..G310 helixtrans-99.7-6.2-178.8-50.2-58.3000113.7D110 I112 I191 L199 Y200 H204 F205 L206 F226D110-Y202 WeakPolarHBondContact CB-OH 3.25Å; D110-Y202 PolarHBondContact OD1-OH 3.04Å; D110-Y202 PolarHBondContact OD2-OH 3.47Å; I112-Y202 HydrophobicContact CD1-CD2 4.25Å; I112-Y202 HydrophobicContact CD1-CE2 3.81Å; I191-Y202 HydrophobicContact CD1-CD2 3.44Å; I191-Y202 VanDerWaalsContact CD1-CD2 3.44Å; I191-Y202 HydrophobicContact CD1-CE2 4.35Å; I191-Y202 HydrophobicContact CD1-CG 3.94Å; L199-Y202 PolarHBondContact O-N 3.32Å; Y200-Y202 PolarHBondContact O-N 3.17Å; Y200-Y202 VanDerWaalsContact O-N 3.12Å; Y202-H204 VanDerWaalsContact C-N 3.34Å; Y202-H204 PolarHBondContact O-N 3.23Å; Y202-F205 WeakPolarHBondContact O-CA 3.37Å; Y202-F205 WeakPolarHBondContact O-CB 3.4Å; Y202-F205 PolarHBondContact O-N 2.96Å; Y202-L206 WeakPolarHBondContact O-CG 3.17Å; Y202-L206 PolarHBondContact O-N 2.88Å; Y202-F226 AromaticContact CD1-CE2 3.5Å; Y202-F226 HydrophobicContact CD1-CE2 3.5Å; Y202-F226 VanDerWaalsContact CD1-CE2 3.5Å; Y202-F226 AromaticContact CD1-CZ 3.72Å; Y202-F226 HydrophobicContact CD1-CZ 3.72Å; Y202-F226 HydrophobicContact CD2-CZ 4.33Å; Y202-F226 AromaticContact CE1-CE2 3.66Å; Y202-F226 HydrophobicContact CE1-CE2 3.66Å; Y202-F226 AromaticContact CE1-CZ 3.94Å; Y202-F226 HydrophobicContact CE1-CZ 3.94Å; Y202-F226 HydrophobicContact CE2-CZ 4.49Å; Y202-F226 HydrophobicContact CG-CE2 4.15Å; Y202-F226 AromaticContact CG-CZ 3.91Å; Y202-F226 HydrophobicContact CG-CZ 3.91Å
203M91.3Very high91.2Very high15 Ų1536.7 Ų36.77%0.07417%0.168CC..Hα-helixtrans-52.9-49.5-176.3-171.5173.374.100111.9F157 L168 Y200 F205 L206 E207F157-M203 HydrophobicContact CD1-SD 4.1Å; F157-M203 HydrophobicContact CD2-SD 4.01Å; F157-M203 HydrophobicContact CE1-SD 4.31Å; F157-M203 HydrophobicContact CE2-SD 4.22Å; F157-M203 HydrophobicContact CG-SD 3.95Å; F157-M203 HydrophobicContact CZ-SD 4.37Å; L168-M203 HydrophobicContact CD2-CB 4.13Å; Y200-M203 VanDerWaalsContact O-CB 3.31Å; Y200-M203 WeakPolarHBondContact O-CB 3.41Å; Y200-M203 PolarHBondContact O-N 2.93Å; Y200-M203 VanDerWaalsContact O-N 3.08Å; M203-F205 VanDerWaalsContact C-N 3.34Å; M203-F205 PolarHBondContact O-N 2.88Å; M203-L206 PolarHBondContact O-N 2.93Å; M203-E207 WeakPolarHBondContact O-CB 3.32Å; M203-E207 PolarHBondContact O-N 3.05Å
204H92.3Very high91.2Very high123 Ų12336.6 Ų36.657%0.56917%0.167SC*.Hα-helixtrans-64.4-34.8177.8-17561.7000113.5Y202 N208Y202-H204 VanDerWaalsContact C-N 3.34Å; Y202-H204 PolarHBondContact O-N 3.23Å; H204-N208 PolarHBondContact CD2-ND2 3.17Å; H204-N208 PolarHBondContact CE1-ND2 3.48Å; H204-N208 PolarHBondContact NE2-ND2 3.48Å; H204-N208 VanDerWaalsContact O-CG 3.22Å; H204-N208 PolarHBondContact O-N 3.04Å; H204-N208 VanDerWaalsContact O-N 3.11Å; H204-N208 PolarHBondContact O-ND2 3.49Å
205F95.4Very high91.5Very high54 Ų5441.1 Ų41.124%0.23718%0.184CC..Hα-helixtrans-64.4-49.9173.8168.6-102.3000110.7Y202 M203 E207 N208 Q209 L223 F226Y202-F205 WeakPolarHBondContact O-CA 3.37Å; Y202-F205 WeakPolarHBondContact O-CB 3.4Å; Y202-F205 PolarHBondContact O-N 2.96Å; M203-F205 VanDerWaalsContact C-N 3.34Å; M203-F205 PolarHBondContact O-N 2.88Å; F205-E207 PolarHBondContact O-N 3.06Å; F205-N208 PolarHBondContact O-N 3.38Å; F205-N208 VanDerWaalsContact O-N 3.15Å; F205-Q209 HydrophobicContact CD1-CG 4.27Å; F205-Q209 HydrophobicContact CD2-CG 4.1Å; F205-Q209 HydrophobicContact CE1-CG 3.9Å; F205-Q209 HydrophobicContact CE2-CG 3.7Å; F205-Q209 HydrophobicContact CG-CG 4.37Å; F205-Q209 HydrophobicContact CZ-CG 3.6Å; F205-Q209 VanDerWaalsContact O-CG 3.3Å; F205-Q209 WeakPolarHBondContact O-CG 3.46Å; F205-Q209 PolarHBondContact O-N 2.95Å; F205-L223 HydrophobicContact CE1-CD2 3.94Å; F205-L223 HydrophobicContact CZ-CD2 4.03Å; F205-F226 HydrophobicContact CD1-CD2 4.09Å; F205-F226 HydrophobicContact CD1-CE2 4.24Å; F205-F226 HydrophobicContact CD1-CG 4.3Å; F205-F226 HydrophobicContact CE1-CB 3.87Å; F205-F226 AromaticContact CE1-CD1 3.82Å; F205-F226 HydrophobicContact CE1-CD1 3.82Å; F205-F226 AromaticContact CE1-CD2 3.72Å; F205-F226 HydrophobicContact CE1-CD2 3.72Å; F205-F226 HydrophobicContact CE1-CE1 4.33Å; F205-F226 HydrophobicContact CE1-CE2 4.23Å; F205-F226 AromaticContact CE1-CG 3.5Å; F205-F226 HydrophobicContact CE1-CG 3.5Å; F205-F226 VanDerWaalsContact CE1-CG 3.5Å; F205-F226 HydrophobicContact CE2-CB 4.45Å; F205-F226 HydrophobicContact CZ-CB 3.56Å; F205-F226 HydrophobicContact CZ-CD1 4.4Å; F205-F226 HydrophobicContact CZ-CD2 4.03Å; F205-F226 AromaticContact CZ-CG 3.73Å; F205-F226 HydrophobicContact CZ-CG 3.73Å
206L96.8Very high91.9Very high0 Ų042.5 Ų42.50%019%0.194CC..Hα-helixtrans-63.7-39.9-179.6-61.2173000112.2L168 C170 V189 I191 Y202 M203 N208 Q209 V210L168-L206 HydrophobicContact CD2-CD1 4.02Å; L168-L206 HydrophobicContact CG-CD1 4.01Å; C170-L206 HydrophobicContact CB-CB 3.9Å; V189-L206 HydrophobicContact CG1-CD2 4.01Å; I191-L206 HydrophobicContact CD1-CD1 3.95Å; I191-L206 HydrophobicContact CG1-CD1 3.95Å; I191-L206 HydrophobicContact CG2-CD1 4.28Å; I191-L206 HydrophobicContact CG2-CD2 3.71Å; Y202-L206 WeakPolarHBondContact O-CG 3.17Å; Y202-L206 PolarHBondContact O-N 2.88Å; M203-L206 PolarHBondContact O-N 2.93Å; L206-N208 VanDerWaalsContact C-N 3.34Å; L206-N208 PolarHBondContact O-N 3.47Å; L206-Q209 PolarHBondContact O-N 3.01Å; L206-V210 PolarHBondContact O-N 3.18Å
207E95.7Very high92.1Very high43 Ų4344.7 Ų44.720%0.20121%0.21CC..Hα-helixtrans-56.6-43.1171-92.7-164.1-132.100113.4C170 M203 F205 V210 R211C170-E207 HydrophobicContact CB-CG 4.21Å; M203-E207 WeakPolarHBondContact O-CB 3.32Å; M203-E207 PolarHBondContact O-N 3.05Å; F205-E207 PolarHBondContact O-N 3.06Å; E207-V210 WeakPolarHBondContact O-CG1 3.3Å; E207-R211 WeakPolarHBondContact O-CG 3.33Å; E207-R211 PolarHBondContact O-N 3.23Å; E207-R211 IonicContact OE2-CZ 2.75Å; E207-R211 IonicContact OE2-NH1 2.69Å; E207-R211 PolarHBondContact OE2-NH1 3.15Å; E207-R211 IonicContact OE2-NH2 3.63Å; E207-R211 PolarHBondContact OE2-NH2 3.28Å
208N96.4Very high92.6Very high70 Ų7046 Ų4637%0.37423%0.226SC..Hα-helixtrans-71.7-38176.3-68.7-22.1000111.2H204 F205 L206 H212H204-N208 PolarHBondContact CD2-ND2 3.17Å; H204-N208 PolarHBondContact CE1-ND2 3.48Å; H204-N208 PolarHBondContact NE2-ND2 3.48Å; H204-N208 VanDerWaalsContact O-CG 3.22Å; H204-N208 PolarHBondContact O-N 3.04Å; H204-N208 VanDerWaalsContact O-N 3.11Å; H204-N208 PolarHBondContact O-ND2 3.49Å; F205-N208 PolarHBondContact O-N 3.38Å; F205-N208 VanDerWaalsContact O-N 3.15Å; L206-N208 VanDerWaalsContact C-N 3.34Å; L206-N208 PolarHBondContact O-N 3.47Å; N208-H212 WeakPolarHBondContact O-CB 3.42Å; N208-H212 PolarHBondContact O-N 3Å
209Q97.3Very high93.1Very high22 Ų2250.5 Ų50.510%0.10325%0.247CC..Hα-helixtrans-67-41.8177.9-68.9-58.4-41.300112.4V189 F205 L206 R211 H212 Q213 L223V189-Q209 HydrophobicContact CG1-CB 4.12Å; F205-Q209 HydrophobicContact CD1-CG 4.27Å; F205-Q209 HydrophobicContact CD2-CG 4.1Å; F205-Q209 HydrophobicContact CE1-CG 3.9Å; F205-Q209 HydrophobicContact CE2-CG 3.7Å; F205-Q209 HydrophobicContact CG-CG 4.37Å; F205-Q209 HydrophobicContact CZ-CG 3.6Å; F205-Q209 VanDerWaalsContact O-CG 3.3Å; F205-Q209 WeakPolarHBondContact O-CG 3.46Å; F205-Q209 PolarHBondContact O-N 2.95Å; L206-Q209 PolarHBondContact O-N 3.01Å; Q209-R211 PolarHBondContact O-N 3.37Å; Q209-H212 WeakPolarHBondContact O-CB 3.49Å; Q209-H212 PolarHBondContact O-N 3.24Å; Q209-Q213 WeakPolarHBondContact O-CG 3.39Å; Q209-Q213 PolarHBondContact O-N 2.84Å; Q209-L223 HydrophobicContact CB-CD2 3.97Å; Q209-L223 HydrophobicContact CG-CD2 3.72Å; Q209-L223 HydrophobicContact CG-CG 4.45Å
210V97.1Very high93.5Very high2 Ų252 Ų521%0.01225%0.252CS..Hα-helixtrans-65-40.8177.269.90000111.5C170 A172 K187 V189 L206 E207 H212 Q213 L214C170-V210 HydrophobicContact CB-CG1 4.31Å; C170-V210 WeakPolarHBondContact O-CB 3.43Å; C170-V210 WeakPolarHBondContact O-CG2 3.27Å; A172-V210 HydrophobicContact CB-CB 4.49Å; A172-V210 HydrophobicContact CB-CG1 3.79Å; A172-V210 HydrophobicContact CB-CG2 3.94Å; K187-V210 HydrophobicContact CB-CG2 4.02Å; K187-V210 VanDerWaalsContact O-CG2 3.27Å; K187-V210 WeakPolarHBondContact O-CG2 3.16Å; V189-V210 HydrophobicContact CB-CB 4.09Å; V189-V210 HydrophobicContact CG2-CB 3.69Å; V189-V210 HydrophobicContact CG2-CG2 4.05Å; L206-V210 PolarHBondContact O-N 3.18Å; E207-V210 WeakPolarHBondContact O-CG1 3.3Å; V210-H212 VanDerWaalsContact C-N 3.34Å; V210-H212 PolarHBondContact O-N 2.94Å; V210-Q213 PolarHBondContact O-N 3.41Å; V210-L214 WeakPolarHBondContact O-CG 3.37Å; V210-L214 PolarHBondContact O-N 3.35Å; V210-L214 VanDerWaalsContact O-N 3.12Å
211R96.1Very high94Very high96 Ų9653.9 Ų53.936%0.36227%0.272SS..Hα-helixtrans-61.3-42.2172.6-68.7175.1-173.7115.45.3111.4E207 Q209 L214 H215E207-R211 WeakPolarHBondContact O-CG 3.33Å; E207-R211 PolarHBondContact O-N 3.23Å; E207-R211 IonicContact OE2-CZ 2.75Å; E207-R211 IonicContact OE2-NH1 2.69Å; E207-R211 PolarHBondContact OE2-NH1 3.15Å; E207-R211 IonicContact OE2-NH2 3.63Å; E207-R211 PolarHBondContact OE2-NH2 3.28Å; Q209-R211 PolarHBondContact O-N 3.37Å; R211-L214 PolarHBondContact O-N 3.33Å; R211-H215 PolarHBondContact O-CD2 3.34Å; R211-H215 VanDerWaalsContact O-CD2 3.27Å; R211-H215 PolarHBondContact O-N 3.25Å
212H95.6Very high94.4Very high63 Ų6350.5 Ų50.529%0.29227%0.266SS..Hα-helixtrans-61-45.1173.6-174.2-95.6000112.4N208 Q209 V210 L214 H215 C216 Q219N208-H212 WeakPolarHBondContact O-CB 3.42Å; N208-H212 PolarHBondContact O-N 3Å; Q209-H212 WeakPolarHBondContact O-CB 3.49Å; Q209-H212 PolarHBondContact O-N 3.24Å; V210-H212 VanDerWaalsContact C-N 3.34Å; V210-H212 PolarHBondContact O-N 2.94Å; H212-L214 PolarHBondContact O-N 3.11Å; H212-H215 PolarHBondContact O-N 3.06Å; H212-C216 PolarHBondContact O-N 2.84Å; H212-Q219 PolarHBondContact CE1-OE1 2.92Å
213Q95.1Very high94.7Very high0 Ų049.7 Ų49.70%026%0.262CS..Hα-helixtrans-65-23.1178.8-69.2-55.4-35.400114.1V117 K187 V189 Q209 V210 P217 Q219V117-Q213 HydrophobicContact CG1-CG 4.44Å; K187-Q213 HydrophobicContact CD-CB 3.71Å; V189-Q213 HydrophobicContact CG2-CG 4.09Å; Q209-Q213 WeakPolarHBondContact O-CG 3.39Å; Q209-Q213 PolarHBondContact O-N 2.84Å; V210-Q213 PolarHBondContact O-N 3.41Å; Q213-P217 WeakPolarHBondContact O-CA 3.45Å; Q213-Q219 PolarHBondContact NE2-O 3Å
214L93.3Very high94.9Very high6 Ų652.9 Ų52.93%0.03128%0.277CS..Hα-helixtrans-74.1-40.5173.9-70.3173.3000112.1A172 M174 R185 K187 V210 R211 H212A172-L214 HydrophobicContact CB-CD1 3.54Å; M174-L214 HydrophobicContact CB-CD1 4.02Å; M174-L214 HydrophobicContact CE-CB 4.35Å; M174-L214 HydrophobicContact SD-CB 4.38Å; R185-L214 HydrophobicContact CB-CD2 4.13Å; R185-L214 WeakPolarHBondContact CD-O 3.3Å; R185-L214 HydrophobicContact CG-CD2 3.66Å; R185-L214 PolarHBondContact NH1-O 3.06Å; R185-L214 WeakPolarHBondContact O-CD2 3.1Å; K187-L214 HydrophobicContact CB-CD2 3.96Å; K187-L214 HydrophobicContact CB-CG 4.5Å; K187-L214 HydrophobicContact CD-CD2 4.46Å; K187-L214 HydrophobicContact CG-CD2 3.97Å; V210-L214 WeakPolarHBondContact O-CG 3.37Å; V210-L214 PolarHBondContact O-N 3.35Å; V210-L214 VanDerWaalsContact O-N 3.12Å; R211-L214 PolarHBondContact O-N 3.33Å; H212-L214 PolarHBondContact O-N 3.11Å
215H92.8Very high95.1Very high135 Ų13550 Ų5063%0.62528%0.275SS*.Hα-helixtrans-81.2-39177.8-68.1-65.3000113.2M174 R211 H212 P217M174-H215 PolarHBondContact SD-CE1 3.23Å; R211-H215 PolarHBondContact O-CD2 3.34Å; R211-H215 VanDerWaalsContact O-CD2 3.27Å; R211-H215 PolarHBondContact O-N 3.25Å; H212-H215 PolarHBondContact O-N 3.06Å; H215-P217 WeakPolarHBondContact O-CD 3.13Å
216C91.7Very high95.1Very high41 Ų4148.6 Ų48.628%0.27727%0.269SS..SBendtrans-125.169.2-175.3-63.50000111.5H212 Q219H212-C216 PolarHBondContact O-N 2.84Å; C216-Q219 HydrophobicContact CB-CG 4.34Å
217P90.2Very high95.1Very high60 Ų6049.8 Ų49.839%0.3927%0.273SS..THydrogen-bonded Turntrans-57146.1178.3-23.233.6000112.9Q213 H215 Q219Q213-P217 WeakPolarHBondContact O-CA 3.45Å; H215-P217 WeakPolarHBondContact O-CD 3.13Å; P217-Q219 VanDerWaalsContact C-N 3.33Å; P217-Q219 PolarHBondContact O-N 3.45Å
218G91.5Very high95Very high43 Ų4353 Ų5344%0.44329%0.289SS..THydrogen-bonded Turntrans82.8-0.3176.300000115.7
219Q93.8Very high94.9Very high104 Ų10455.4 Ų55.449%0.48630%0.301SS..  trans-99.285.8-178.1-64.6-172.48.900111.8H212 Q213 C216 P217H212-Q219 PolarHBondContact CE1-OE1 2.92Å; Q213-Q219 PolarHBondContact NE2-O 3Å; C216-Q219 HydrophobicContact CB-CG 4.34Å; P217-Q219 VanDerWaalsContact C-N 3.33Å; P217-Q219 PolarHBondContact O-N 3.45Å
220Y96.4Very high94.6Very high33 Ų3356.9 Ų56.913%0.12931%0.307CS..  trans-94.7-3.8-172.9-47-65.3000115.5V117 E129 W130 P222 L223 E224V117-Y220 HydrophobicContact CB-CE1 4.42Å; V117-Y220 HydrophobicContact CG2-CD1 4.07Å; V117-Y220 HydrophobicContact CG2-CE1 4.04Å; E129-Y220 VanDerWaalsContact CD-OH 3.29Å; E129-Y220 WeakPolarHBondContact CG-OH 3.46Å; E129-Y220 PolarHBondContact OE1-OH 3.33Å; W130-Y220 HydrophobicContact CB-CD1 4.13Å; W130-Y220 HydrophobicContact CB-CD2 4.25Å; W130-Y220 HydrophobicContact CB-CE1 3.75Å; W130-Y220 HydrophobicContact CB-CE2 3.87Å; W130-Y220 HydrophobicContact CB-CG 4.36Å; W130-Y220 AromaticContact CD1-CD2 3.27Å; W130-Y220 AromaticContact CD1-CE2 3.52Å; W130-Y220 AromaticContact CD1-CG 3.7Å; W130-Y220 AromaticContact CD2-CD1 3.9Å; W130-Y220 HydrophobicContact CD2-CD1 3.9Å; W130-Y220 HydrophobicContact CD2-CD2 4.12Å; W130-Y220 HydrophobicContact CD2-CE1 4.44Å; W130-Y220 AromaticContact CD2-CG 3.72Å; W130-Y220 HydrophobicContact CD2-CG 3.72Å; W130-Y220 AromaticContact CE2-CG 3.73Å; W130-Y220 HydrophobicContact CE3-CD1 4.28Å; W130-Y220 HydrophobicContact CE3-CG 4.42Å; W130-Y220 AromaticContact CG-CD1 3.87Å; W130-Y220 HydrophobicContact CG-CD1 3.87Å; W130-Y220 AromaticContact CG-CD2 3.65Å; W130-Y220 HydrophobicContact CG-CD2 3.65Å; W130-Y220 AromaticContact CG-CE1 3.98Å; W130-Y220 HydrophobicContact CG-CE1 3.98Å; W130-Y220 AromaticContact CG-CE2 3.75Å; W130-Y220 HydrophobicContact CG-CE2 3.75Å; W130-Y220 AromaticContact CG-CG 3.69Å; W130-Y220 HydrophobicContact CG-CG 3.69Å; W130-Y220 AromaticContact CG-CZ 3.91Å; W130-Y220 HydrophobicContact CZ2-CG 4.38Å; W130-Y220 AromaticContact NE1-CD2 3.51Å; W130-Y220 AromaticContact NE1-CG 3.71Å; Y220-P222 VanDerWaalsContact C-CD 3.43Å; Y220-P222 VanDerWaalsContact C-N 3.34Å; Y220-P222 VanDerWaalsContact O-N 3.1Å; Y220-L223 HydrophobicContact CD1-CD1 4.39Å; Y220-L223 WeakPolarHBondContact O-CA 3.25Å; Y220-L223 VanDerWaalsContact O-CB 3.32Å; Y220-L223 WeakPolarHBondContact O-CB 3.37Å; Y220-L223 PolarHBondContact O-N 3.14Å; Y220-E224 PolarHBondContact O-N 2.82Å
221S96.4Very high94.2Very high81 Ų8160.8 Ų60.857%0.56632%0.324SS*.Hα-helixtrans-49.1-39.1-174.9-178.50000116L223 E224 A225S221-L223 VanDerWaalsContact C-N 3.34Å; S221-L223 PolarHBondContact O-N 3.29Å; S221-E224 WeakPolarHBondContact CA-OE2 3.38Å; S221-E224 PolarHBondContact O-N 2.7Å; S221-A225 PolarHBondContact O-N 3.4Å
222P95.9Very high93.6Very high52 Ų5257 Ų5734%0.33831%0.313SS..Hα-helixtrans-66.5-31.8174-21.534.3000114Y220 F226Y220-P222 VanDerWaalsContact C-CD 3.43Å; Y220-P222 VanDerWaalsContact C-N 3.34Å; Y220-P222 VanDerWaalsContact O-N 3.1Å; P222-F226 VanDerWaalsContact O-CB 3.32Å; P222-F226 WeakPolarHBondContact O-CB 3.22Å; P222-F226 PolarHBondContact O-N 2.84Å; P222-F226 VanDerWaalsContact O-N 3.08Å
223L96.9Very high92.6Very high0 Ų060.7 Ų60.70%034%0.34CS..Hα-helixtrans-74.9-36.8175.6-62.8172.8000111.4V115 V117 W130 V189 F205 Q209 Y220 S221 F226 Y227V115-L223 HydrophobicContact CG1-CB 4.19Å; V115-L223 HydrophobicContact CG1-CD2 3.97Å; V117-L223 HydrophobicContact CG2-CD1 3.58Å; W130-L223 HydrophobicContact CE3-CD1 4.36Å; W130-L223 HydrophobicContact CH2-CB 3.64Å; W130-L223 HydrophobicContact CZ3-CB 3.8Å; W130-L223 HydrophobicContact CZ3-CD1 3.95Å; V189-L223 HydrophobicContact CG1-CD1 4.06Å; V189-L223 HydrophobicContact CG1-CD2 3.78Å; F205-L223 HydrophobicContact CE1-CD2 3.94Å; F205-L223 HydrophobicContact CZ-CD2 4.03Å; Q209-L223 HydrophobicContact CB-CD2 3.97Å; Q209-L223 HydrophobicContact CG-CD2 3.72Å; Q209-L223 HydrophobicContact CG-CG 4.45Å; Y220-L223 HydrophobicContact CD1-CD1 4.39Å; Y220-L223 WeakPolarHBondContact O-CA 3.25Å; Y220-L223 VanDerWaalsContact O-CB 3.32Å; Y220-L223 WeakPolarHBondContact O-CB 3.37Å; Y220-L223 PolarHBondContact O-N 3.14Å; S221-L223 VanDerWaalsContact C-N 3.34Å; S221-L223 PolarHBondContact O-N 3.29Å; L223-F226 PolarHBondContact O-N 3.41Å; L223-Y227 WeakPolarHBondContact O-CB 3.46Å; L223-Y227 PolarHBondContact O-N 3.09Å
224E96.9Very high90.9Very high83 Ų8365.3 Ų65.339%0.38836%0.364SS..Hα-helixtrans-60.4-51.1172.2-65169.8174.600110.8W130 L132 Y220 S221 F226 Y227 E228W130-E224 HydrophobicContact CH2-CG 4.34Å; W130-E224 HydrophobicContact CZ2-CG 3.68Å; L132-E224 HydrophobicContact CD1-CB 4.32Å; L132-E224 HydrophobicContact CD1-CG 4.01Å; Y220-E224 PolarHBondContact O-N 2.82Å; S221-E224 WeakPolarHBondContact CA-OE2 3.38Å; S221-E224 PolarHBondContact O-N 2.7Å; E224-F226 VanDerWaalsContact C-N 3.35Å; E224-F226 PolarHBondContact O-N 3.05Å; E224-Y227 PolarHBondContact O-N 2.87Å; E224-E228 WeakPolarHBondContact O-CG 3.43Å; E224-E228 PolarHBondContact O-N 3.16Å
225A96Very high88.8Confident63 Ų6370.2 Ų70.252%0.52140%0.396SS..Hα-helixtrans-61.9-40.7177.900000112.5S221 E228 D229S221-A225 PolarHBondContact O-N 3.4Å; A225-E228 PolarHBondContact O-N 2.98Å; A225-D229 PolarHBondContact O-N 3.1Å; A225-D229 VanDerWaalsContact O-N 3.14Å
226F95.6Very high86.4Confident23 Ų2369.9 Ų69.910%0.10141%0.406CS..Hα-helixtrans-62.9-43.9174.4170.8-95.1000112.4I112 V115 I191 Y202 F205 P222 L223 E224 D229 K230I112-F226 HydrophobicContact CD1-CZ 4.41Å; I112-F226 HydrophobicContact CG1-CE1 4.1Å; I112-F226 HydrophobicContact CG1-CZ 4.05Å; I112-F226 HydrophobicContact CG2-CE1 4.38Å; V115-F226 HydrophobicContact CG2-CD1 3.9Å; V115-F226 HydrophobicContact CG2-CE1 3.99Å; I191-F226 HydrophobicContact CG2-CE1 3.92Å; Y202-F226 AromaticContact CD1-CE2 3.5Å; Y202-F226 HydrophobicContact CD1-CE2 3.5Å; Y202-F226 VanDerWaalsContact CD1-CE2 3.5Å; Y202-F226 AromaticContact CD1-CZ 3.72Å; Y202-F226 HydrophobicContact CD1-CZ 3.72Å; Y202-F226 HydrophobicContact CD2-CZ 4.33Å; Y202-F226 AromaticContact CE1-CE2 3.66Å; Y202-F226 HydrophobicContact CE1-CE2 3.66Å; Y202-F226 AromaticContact CE1-CZ 3.94Å; Y202-F226 HydrophobicContact CE1-CZ 3.94Å; Y202-F226 HydrophobicContact CE2-CZ 4.49Å; Y202-F226 HydrophobicContact CG-CE2 4.15Å; Y202-F226 AromaticContact CG-CZ 3.91Å; Y202-F226 HydrophobicContact CG-CZ 3.91Å; F205-F226 HydrophobicContact CD1-CD2 4.09Å; F205-F226 HydrophobicContact CD1-CE2 4.24Å; F205-F226 HydrophobicContact CD1-CG 4.3Å; F205-F226 HydrophobicContact CE1-CB 3.87Å; F205-F226 AromaticContact CE1-CD1 3.82Å; F205-F226 HydrophobicContact CE1-CD1 3.82Å; F205-F226 AromaticContact CE1-CD2 3.72Å; F205-F226 HydrophobicContact CE1-CD2 3.72Å; F205-F226 HydrophobicContact CE1-CE1 4.33Å; F205-F226 HydrophobicContact CE1-CE2 4.23Å; F205-F226 AromaticContact CE1-CG 3.5Å; F205-F226 HydrophobicContact CE1-CG 3.5Å; F205-F226 VanDerWaalsContact CE1-CG 3.5Å; F205-F226 HydrophobicContact CE2-CB 4.45Å; F205-F226 HydrophobicContact CZ-CB 3.56Å; F205-F226 HydrophobicContact CZ-CD1 4.4Å; F205-F226 HydrophobicContact CZ-CD2 4.03Å; F205-F226 AromaticContact CZ-CG 3.73Å; F205-F226 HydrophobicContact CZ-CG 3.73Å; P222-F226 VanDerWaalsContact O-CB 3.32Å; P222-F226 WeakPolarHBondContact O-CB 3.22Å; P222-F226 PolarHBondContact O-N 2.84Å; P222-F226 VanDerWaalsContact O-N 3.08Å; L223-F226 PolarHBondContact O-N 3.41Å; E224-F226 VanDerWaalsContact C-N 3.35Å; E224-F226 PolarHBondContact O-N 3.05Å; F226-D229 PolarHBondContact O-N 2.89Å; F226-K230 HydrophobicContact CD2-CG 4.18Å; F226-K230 HydrophobicContact CE2-CG 3.85Å; F226-K230 HydrophobicContact CZ-CB 4.46Å; F226-K230 HydrophobicContact CZ-CG 4.2Å; F226-K230 WeakPolarHBondContact O-CB 3.17Å; F226-K230 PolarHBondContact O-N 3.19Å; F226-K230 VanDerWaalsContact O-N 3.09Å
227Y95.7Very high84.4Confident26 Ų2675.2 Ų75.210%0.10244%0.438CS..Hα-helixtrans-62.9-45.4176.6-179.7-109.7000111.3I112 V115 L132 P133 L223 E224 D229 K230 K231I112-Y227 HydrophobicContact CG2-CD2 4.16Å; V115-Y227 HydrophobicContact CG2-CD2 3.84Å; V115-Y227 HydrophobicContact CG2-CG 4.28Å; L132-Y227 HydrophobicContact CB-CD1 3.82Å; L132-Y227 HydrophobicContact CB-CE1 4.11Å; L132-Y227 HydrophobicContact CB-CG 4.03Å; L132-Y227 HydrophobicContact CD1-CD1 3.89Å; L132-Y227 HydrophobicContact CD1-CG 4.29Å; L132-Y227 HydrophobicContact CG-CD1 4.46Å; P133-Y227 WeakPolarHBondContact CD-OH 3.3Å; L223-Y227 WeakPolarHBondContact O-CB 3.46Å; L223-Y227 PolarHBondContact O-N 3.09Å; E224-Y227 PolarHBondContact O-N 2.87Å; Y227-D229 VanDerWaalsContact C-N 3.32Å; Y227-D229 PolarHBondContact O-N 3.18Å; Y227-K230 PolarHBondContact O-N 3.32Å; Y227-K231 HydrophobicContact CD1-CB 4.41Å; Y227-K231 HydrophobicContact CD1-CD 4.37Å; Y227-K231 HydrophobicContact CD2-CB 4.08Å; Y227-K231 HydrophobicContact CE1-CB 4.06Å; Y227-K231 HydrophobicContact CE1-CD 3.93Å; Y227-K231 HydrophobicContact CE2-CB 3.71Å; Y227-K231 HydrophobicContact CG-CB 4.44Å; Y227-K231 WeakPolarHBondContact O-CA 3.35Å; Y227-K231 WeakPolarHBondContact O-CB 3.46Å; Y227-K231 WeakPolarHBondContact O-CG 3.27Å; Y227-K231 PolarHBondContact O-N 3.19Å
228E94.9Very high81.7Confident111 Ų11175.3 Ų75.352%0.51945%0.45SS..Hα-helixtrans-63.1-34.7-179.7-73.7-63.7115.900113.5E224 A225 K231E224-E228 WeakPolarHBondContact O-CG 3.43Å; E224-E228 PolarHBondContact O-N 3.16Å; A225-E228 PolarHBondContact O-N 2.98Å; E228-K231 IonicContact OE1-NZ 2.87Å; E228-K231 PolarHBondContact OE1-NZ 3.13Å; E228-K231 WeakPolarHBondContact OE2-CE 3.48Å; E228-K231 IonicContact OE2-NZ 3.23Å; E228-K231 PolarHBondContact OE2-NZ 3.05Å
229D92.8Very high79Confident120 Ų12081 Ų8164%0.64247%0.47SS*.Hα-helixtrans-71.5-37.7174.2-177.369.6000113A225 F226 Y227A225-D229 PolarHBondContact O-N 3.1Å; A225-D229 VanDerWaalsContact O-N 3.14Å; F226-D229 PolarHBondContact O-N 2.89Å; Y227-D229 VanDerWaalsContact C-N 3.32Å; Y227-D229 PolarHBondContact O-N 3.18Å
230K90.9Very high76.3Confident53 Ų5380.4 Ų80.423%0.2349%0.491CS..Hα-helixtrans-109.7-1.1-168.3-58.8-58-169.6-1790115.7D110 I112 F226 Y227 A232D110-K230 HydrophobicContact CB-CD 4.01Å; D110-K230 WeakPolarHBondContact OD2-CE 3.31Å; D110-K230 IonicContact OD2-NZ 2.73Å; D110-K230 PolarHBondContact OD2-NZ 2.84Å; I112-K230 HydrophobicContact CB-CB 4.14Å; I112-K230 HydrophobicContact CG1-CB 3.62Å; I112-K230 PolarHBondContact N-O 3.22Å; F226-K230 HydrophobicContact CD2-CG 4.18Å; F226-K230 HydrophobicContact CE2-CG 3.85Å; F226-K230 HydrophobicContact CZ-CB 4.46Å; F226-K230 HydrophobicContact CZ-CG 4.2Å; F226-K230 WeakPolarHBondContact O-CB 3.17Å; F226-K230 PolarHBondContact O-N 3.19Å; F226-K230 VanDerWaalsContact O-N 3.09Å; Y227-K230 PolarHBondContact O-N 3.32Å; K230-A232 PolarHBondContact O-N 3.08Å
231K90.3Very high73.3Confident84 Ų8486.1 Ų86.137%0.36552%0.523SS..BIsolated β-bridgetrans-61.1135-174.357.6-176.7174.1-1730112.5I112 Y227 E228 V233I112-K231 CarbonylContact O-C 3.54Å; I112-K231 VanDerWaalsContact O-CA 3.3Å; I112-K231 WeakPolarHBondContact O-CA 3.44Å; Y227-K231 HydrophobicContact CD1-CB 4.41Å; Y227-K231 HydrophobicContact CD1-CD 4.37Å; Y227-K231 HydrophobicContact CD2-CB 4.08Å; Y227-K231 HydrophobicContact CE1-CB 4.06Å; Y227-K231 HydrophobicContact CE1-CD 3.93Å; Y227-K231 HydrophobicContact CE2-CB 3.71Å; Y227-K231 HydrophobicContact CG-CB 4.44Å; Y227-K231 WeakPolarHBondContact O-CA 3.35Å; Y227-K231 WeakPolarHBondContact O-CB 3.46Å; Y227-K231 WeakPolarHBondContact O-CG 3.27Å; Y227-K231 PolarHBondContact O-N 3.19Å; E228-K231 IonicContact OE1-NZ 2.87Å; E228-K231 PolarHBondContact OE1-NZ 3.13Å; E228-K231 WeakPolarHBondContact OE2-CE 3.48Å; E228-K231 IonicContact OE2-NZ 3.23Å; E228-K231 PolarHBondContact OE2-NZ 3.05Å; K231-V233 PolarHBondContact O-N 2.94Å
232A82.4Confident70.5Confident16 Ų1687.2 Ų87.213%0.13253%0.527CS..  trans-63.9124.217700000110.5Q111 I112 V113 K230 L234Q111-A232 HydrophobicContact CB-CB 3.93Å; Q111-A232 HydrophobicContact CG-CB 4.28Å; I112-A232 PolarHBondContact O-N 3.08Å; V113-A232 HydrophobicContact CG2-CB 4.39Å; K230-A232 PolarHBondContact O-N 3.08Å; A232-L234 HydrophobicContact CB-CD2 4.15Å; A232-L234 HydrophobicContact CB-CG 4.28Å; A232-L234 PolarHBondContact O-N 3.21Å
233V75.3Confident67.5Low140 Ų14089.8 Ų89.885%0.84855%0.545SS*.  trans-75.181.8168.5-1750000108.3K231K231-V233 PolarHBondContact O-N 2.94Å
234L58.9Low64.4Low98 Ų9896 Ų9651%0.51358%0.578SS.*PPolyproline II helixtrans-69.1136.4173.8-61.5178.6000109.4A232A232-L234 HydrophobicContact CB-CD2 4.15Å; A232-L234 HydrophobicContact CB-CG 4.28Å; A232-L234 PolarHBondContact O-N 3.21Å
235P49.5Very low61.4Low108 Ų10895.5 Ų95.570%0.70158%0.583SS**PPolyproline II helixtrans-58137.4175.8-23.933.6000111.1T237P235-T237 PolarHBondContact O-N 3.47Å
236P43.2Very low58.4Low128 Ų12897.4 Ų97.483%0.83159%0.59SS**PPolyproline II helixtrans-61.1132.8-179.924.8-33.4000110.8G238P236-G238 PolarHBondContact O-N 2.93Å
237T47.9Very low55.4Low154 Ų154100.6 Ų100.695%0.94561%0.611SS**  trans-57.8103.4-168.6-45.90000112.8P235P235-T237 PolarHBondContact O-N 3.47Å
238G35.5Very low52.9Low62 Ų62103.4 Ų103.464%0.63962%0.622SS**  trans-126.4104.5173.800000111.3P236P236-G238 PolarHBondContact O-N 2.93Å
239N33Very low49.8Very low162 Ų162101.8 Ų101.887%0.86662%0.62SS**SBendtrans4298.5167.4-66.8-4.9000118.6L241N239-L241 VanDerWaalsContact C-N 3.25Å; N239-L241 PolarHBondContact O-N 3.41Å
240G38.8Very low47.2Very low91 Ų9198 Ų9894%0.93860%0.601SS**SBendtrans74.2-8.4132.300000119
241L33.3Very low44.4Very low153 Ų15398.2 Ų98.280%0.80161%0.609SS**  trans-133.5100.9168.6-143.675.7000108.5N239 S243N239-L241 VanDerWaalsContact C-N 3.25Å; N239-L241 PolarHBondContact O-N 3.41Å; L241-S243 PolarHBondContact O-N 3.5Å
242V36Very low41.9Very low105 Ų10595.5 Ų95.564%0.63660%0.603SS**  trans-58.3108.1161.3172.80000105.2L244V242-L244 PolarHBondContact O-N 3.49Å
243S32.9Very low39.9Very low105 Ų10596.8 Ų96.873%0.73461%0.607SS**  trans-47.2121.1172.9-177.20000107.1L241 C245L241-S243 PolarHBondContact O-N 3.5Å; S243-C245 PolarHBondContact O-N 2.83Å
244L32Very low38.2Very low130 Ų13093.2 Ų93.268%0.68158%0.583SS**  trans-38.3130.4-169.6-65.6155.9000109.7V242 P246V242-L244 PolarHBondContact O-N 3.49Å; L244-P246 WeakPolarHBondContact O-CA 3.36Å
245C34.4Very low37.2Very low73 Ų7398 Ų9849%0.49359%0.594SS.*SBendtrans-44.4117.6158.5-63.30000105.2S243 T247S243-C245 PolarHBondContact O-N 2.83Å; C245-T247 VanDerWaalsContact O-CA 3.23Å; C245-T247 WeakPolarHBondContact O-CA 3.15Å; C245-T247 PolarHBondContact O-N 2.87Å
246P33.8Very low36.7Very low104 Ų10494.6 Ų94.668%0.67557%0.572SS**  trans-52.8108.1-154.719.1-33.2000107.2L244 W248L244-P246 WeakPolarHBondContact O-CA 3.36Å; P246-W248 PolarHBondContact O-N 2.77Å
247T32.9Very low36.6Very low89 Ų8990.7 Ų90.755%0.54654%0.544SS..  trans-49.3116.5-154.7-520000107.9C245 T249C245-T247 VanDerWaalsContact O-CA 3.23Å; C245-T247 WeakPolarHBondContact O-CA 3.15Å; C245-T247 PolarHBondContact O-N 2.87Å; T247-T249 PolarHBondContact O-N 2.82Å
248W41.3Very low36.3Very low85 Ų8588 Ų8832%0.32252%0.52SS..  trans-69.871.7-178.9-71.6-7.5000107.6F166 Y196 P246F166-W248 AromaticContact CE2-CH2 3.6Å; F166-W248 HydrophobicContact CE2-CH2 3.6Å; F166-W248 HydrophobicContact CE2-CZ3 4.2Å; F166-W248 AromaticContact CZ-CH2 3.99Å; F166-W248 HydrophobicContact CZ-CH2 3.99Å; F166-W248 HydrophobicContact CZ-CZ3 4.16Å; Y196-W248 HydrophobicContact CE1-CH2 4.41Å; P246-W248 PolarHBondContact O-N 2.77Å
249T31.7Very low36.5Very low77 Ų7787.9 Ų87.947%0.47251%0.508SS..  trans-57.1148.8169.554.10000106.9T247 S251 A252T247-T249 PolarHBondContact O-N 2.82Å; T249-S251 PolarHBondContact O-N 2.88Å; T249-A252 VanDerWaalsContact O-CB 3.3Å; T249-A252 WeakPolarHBondContact O-CB 3.47Å; T249-A252 PolarHBondContact O-N 3.38Å
250V37Very low37.4Very low40 Ų4083.8 Ų83.824%0.24248%0.484CS..Hα-helixtrans-52.3-26.2179.9-177.30000112.4A252 N254 I323V250-A252 VanDerWaalsContact C-N 3.27Å; V250-A252 PolarHBondContact O-N 3.34Å; V250-N254 PolarHBondContact O-N 3.31Å; V250-N254 PolarHBondContact O-ND2 3.29Å; V250-I323 WeakPolarHBondContact CG1-O 3.17Å
251S32.6Very low38.2Very low58 Ų5880 Ų8041%0.40644%0.442SS..Hα-helixtrans-67.3-11.6172.7-52.20000116.2T249 R255T249-S251 PolarHBondContact O-N 2.88Å; S251-R255 PolarHBondContact O-NE 2.85Å; S251-R255 PolarHBondContact O-NH2 3.24Å
252A36.4Very low39.3Very low28 Ų2877.4 Ų77.423%0.23142%0.424CS..Hα-helixtrans-92.5-47.6176.800000111T249 V250 N254 R255 C256T249-A252 VanDerWaalsContact O-CB 3.3Å; T249-A252 WeakPolarHBondContact O-CB 3.47Å; T249-A252 PolarHBondContact O-N 3.38Å; V250-A252 VanDerWaalsContact C-N 3.27Å; V250-A252 PolarHBondContact O-N 3.34Å; A252-N254 PolarHBondContact O-N 3.12Å; A252-R255 CarbonylContact O-C 3.48Å; A252-R255 WeakPolarHBondContact O-CA 3.39Å; A252-R255 PolarHBondContact O-N 3.4Å; A252-C256 PolarHBondContact O-N 3.23Å; A252-C256 PolarHBondContact O-SG 3.39Å
253I41.3Very low40.6Very low43 Ų4373.4 Ų73.422%0.22140%0.399CS..Hα-helixtrans-54.2-42.5175.8-54.5174.8000110.5R255 M257 E329I253-R255 PolarHBondContact O-N 2.75Å; I253-M257 HydrophobicContact CG2-CE 3.96Å; I253-M257 HydrophobicContact CG2-CG 4.24Å; I253-E329 HydrophobicContact CD1-CG 4.2Å
254N40.3Very low41.6Very low65 Ų6574.2 Ų74.235%0.34840%0.4SS..Hα-helixtrans-62.8-1.8173.2-91.2-64.6000116.2V250 A252 A318 S319V250-N254 PolarHBondContact O-N 3.31Å; V250-N254 PolarHBondContact O-ND2 3.29Å; A252-N254 PolarHBondContact O-N 3.12Å; N254-A318 PolarHBondContact ND2-O 3.34Å; N254-A318 PolarHBondContact OD1-O 3.44Å; N254-S319 VanDerWaalsContact OD1-CA 3.24Å; N254-S319 WeakPolarHBondContact OD1-CA 3.17Å; N254-S319 WeakPolarHBondContact OD1-CB 3.46Å
255R38Very low42.8Very low197 Ų19772.9 Ų72.974%0.74339%0.39SS*.Hα-helixtrans-136.9-11.7179.1-84.3-175-70.9-125.4-3.5115.3S251 A252 I253S251-R255 PolarHBondContact O-NE 2.85Å; S251-R255 PolarHBondContact O-NH2 3.24Å; A252-R255 CarbonylContact O-C 3.48Å; A252-R255 WeakPolarHBondContact O-CA 3.39Å; A252-R255 PolarHBondContact O-N 3.4Å; I253-R255 PolarHBondContact O-N 2.75Å
256C37.4Very low43.6Very low37 Ų3773.3 Ų73.325%0.2539%0.391CS..Hα-helixtrans-114.4-0.7-176.572.70000114.9T197 A252 H258T197-C256 WeakPolarHBondContact CG2-O 3.42Å; A252-C256 PolarHBondContact O-N 3.23Å; A252-C256 PolarHBondContact O-SG 3.39Å; C256-H258 PolarHBondContact O-N 3.35Å
257M41.9Very low44.6Very low47 Ų4769.8 Ų69.823%0.23237%0.371CS..  trans-72.477.7161.5-67.1-65.1-174.700109.2Y196 I253 Y310Y196-M257 VanDerWaalsContact OH-CE 3.24Å; Y196-M257 WeakPolarHBondContact OH-CE 3.49Å; I253-M257 HydrophobicContact CG2-CE 3.96Å; I253-M257 HydrophobicContact CG2-CG 4.24Å; M257-Y310 HydrophobicContact SD-CE2 4Å
258H42.7Very low46Very low96 Ų9665.6 Ų65.644%0.44435%0.346SS..  trans-64.8134.7167.3-80.9-66.2000109C256 E260C256-H258 PolarHBondContact O-N 3.35Å; H258-E260 PolarHBondContact O-N 3.34Å
259P39.4Very low47.9Very low60 Ų6063.2 Ų63.239%0.3934%0.342SS..SBendtrans-67.820.8-168.2-23.835.1000117.7
260E50.8Low50.6Low76 Ų7659.7 Ų59.736%0.35532%0.32SS..  trans-133.135.4-156.4-61-152.7135.500116.9Y200 H258 K262Y200-E260 WeakPolarHBondContact CD1-O 3.25Å; Y200-E260 WeakPolarHBondContact CD2-O 3.41Å; Y200-E260 HydrophobicContact CE1-CB 4.36Å; Y200-E260 WeakPolarHBondContact CE1-O 3.15Å; Y200-E260 HydrophobicContact CE2-CB 3.98Å; Y200-E260 WeakPolarHBondContact CE2-O 3.34Å; Y200-E260 VanDerWaalsContact CZ-O 3.28Å; Y200-E260 PolarHBondContact OH-OE2 3.14Å; H258-E260 PolarHBondContact O-N 3.34Å; E260-K262 HydrophobicContact CB-CD 4.43Å; E260-K262 HydrophobicContact CG-CD 4.29Å; E260-K262 PolarHBondContact O-N 3.06Å; E260-K262 IonicContact OE1-NZ 2.87Å; E260-K262 PolarHBondContact OE1-NZ 2.9Å
261M55Low53.1Low13 Ų1358 Ų586%0.06431%0.31CS..  trans-73.257.4154.9-160.5171.48400110.6Y159 I263 Y307 Y310 F334Y159-M261 HydrophobicContact CD1-SD 4.38Å; Y159-M261 HydrophobicContact CE1-SD 3.82Å; Y159-M261 HydrophobicContact CE2-SD 4.05Å; M261-I263 PolarHBondContact O-N 2.66Å; M261-I263 VanDerWaalsContact O-N 3.11Å; M261-Y307 HydrophobicContact CE-CD2 3.63Å; M261-Y307 HydrophobicContact CE-CG 4.09Å; M261-Y307 VanDerWaalsContact O-CD2 3.29Å; M261-Y307 WeakPolarHBondContact O-CD2 3.47Å; M261-Y307 WeakPolarHBondContact O-CE2 3.34Å; M261-Y310 HydrophobicContact CB-CD1 4.5Å; M261-Y310 HydrophobicContact CB-CE1 4.33Å; M261-Y310 HydrophobicContact CE-CD1 4.03Å; M261-Y310 HydrophobicContact CE-CG 3.79Å; M261-F334 HydrophobicContact CE-CE1 4.34Å
262K58.1Low55.7Low98 Ų9858.9 Ų58.943%0.42631%0.307SS..  trans-72103.6-174.9-79.2170.2178.3171.30110.3E260E260-K262 HydrophobicContact CB-CD 4.43Å; E260-K262 HydrophobicContact CG-CD 4.29Å; E260-K262 PolarHBondContact O-N 3.06Å; E260-K262 IonicContact OE1-NZ 2.87Å; E260-K262 PolarHBondContact OE1-NZ 2.9Å
263I61.5Low58.4Low20 Ų2057.6 Ų57.610%0.10330%0.297CS..  trans-72.2128.1162-68.1-178.9000108.2F157 M261 H265 G268 Y307F157-I263 HydrophobicContact CE2-CD1 4.09Å; F157-I263 HydrophobicContact CE2-CG1 4.22Å; F157-I263 HydrophobicContact CZ-CD1 3.55Å; F157-I263 HydrophobicContact CZ-CG1 3.7Å; F157-I263 HydrophobicContact CZ-CG2 4.29Å; M261-I263 PolarHBondContact O-N 2.66Å; M261-I263 VanDerWaalsContact O-N 3.11Å; I263-H265 VanDerWaalsContact C-N 3.3Å; I263-H265 HydrophobicContact CG2-CB 3.6Å; I263-H265 VanDerWaalsContact CG2-N 3.28Å; I263-H265 WeakPolarHBondContact CG2-O 3.41Å; I263-G268 WeakPolarHBondContact CB-O 2.96Å; I263-Y307 HydrophobicContact CD1-CD1 4.29Å; I263-Y307 HydrophobicContact CD1-CD2 3.91Å; I263-Y307 HydrophobicContact CD1-CG 3.56Å; I263-Y307 HydrophobicContact CG1-CD2 3.98Å; I263-Y307 HydrophobicContact CG1-CG 4.16Å
264T55.5Low60.9Low122 Ų12255.8 Ų55.875%0.74829%0.287SS*.SBendtrans-74.5-20.2174.8500000113.2
265H57.6Low63.4Low103 Ų10357 Ų5748%0.47729%0.291SS..SBendtrans-79.5125.1175.7-170.9-88.7000112.5I263 A267 G268I263-H265 VanDerWaalsContact C-N 3.3Å; I263-H265 HydrophobicContact CG2-CB 3.6Å; I263-H265 VanDerWaalsContact CG2-N 3.28Å; I263-H265 WeakPolarHBondContact CG2-O 3.41Å; H265-A267 VanDerWaalsContact C-N 3.3Å; H265-A267 VanDerWaalsContact CE1-CB 3.46Å; H265-A267 WeakPolarHBondContact CE1-CB 3.3Å; H265-A267 WeakPolarHBondContact ND1-CB 3.4Å; H265-A267 PolarHBondContact ND1-N 3.45Å; H265-A267 PolarHBondContact O-N 3.05Å; H265-A267 VanDerWaalsContact O-N 3.12Å; H265-G268 PolarHBondContact O-N 2.81Å
266P51.3Low66Low81 Ų8149.6 Ų49.653%0.52626%0.264SS..G310 helixtrans-52.6-40-175.5-29.535.4000115.2G268 C269 Q272P266-G268 PolarHBondContact O-N 3.3Å; P266-C269 PolarHBondContact O-N 3.49Å; P266-C269 PolarHBondContact O-SG 3.44Å; P266-Q272 PolarHBondContact O-NE2 2.88Å; P266-Q272 PolarHBondContact O-OE1 3.5Å
267A53Low68.8Low30 Ų3048.2 Ų48.225%0.24825%0.254CS..G310 helixtrans-64-11.6179.800000115.1H265 Q272 V304H265-A267 VanDerWaalsContact C-N 3.3Å; H265-A267 VanDerWaalsContact CE1-CB 3.46Å; H265-A267 WeakPolarHBondContact CE1-CB 3.3Å; H265-A267 WeakPolarHBondContact ND1-CB 3.4Å; H265-A267 PolarHBondContact ND1-N 3.45Å; H265-A267 PolarHBondContact O-N 3.05Å; H265-A267 VanDerWaalsContact O-N 3.12Å; A267-Q272 VanDerWaalsContact CA-OE1 3.28Å; A267-V304 HydrophobicContact CB-CG1 4.28Å; A267-V304 HydrophobicContact CB-CG2 4.49Å; A267-V304 WeakPolarHBondContact O-CG1 3.48Å
268G63.2Low71.3Confident1 Ų146.7 Ų46.71%0.0125%0.25CS..G310 helixtrans-109.125.7177.900000114.3I263 H265 P266 Y307I263-G268 WeakPolarHBondContact CB-O 2.96Å; H265-G268 PolarHBondContact O-N 2.81Å; P266-G268 PolarHBondContact O-N 3.3Å; G268-Y307 WeakPolarHBondContact O-CD1 3.35Å; G268-Y307 WeakPolarHBondContact O-CE1 3.43Å
269C81Confident73.8Confident35 Ų3545.3 Ų45.324%0.23624%0.244CC..SBendtrans-99.3154.5168.579.20000112.2P266 S271 Q272 F273 Y307P266-C269 PolarHBondContact O-N 3.49Å; P266-C269 PolarHBondContact O-SG 3.44Å; C269-S271 PolarHBondContact O-N 3.33Å; C269-Q272 PolarHBondContact O-N 3.38Å; C269-Q272 VanDerWaalsContact O-N 3.11Å; C269-F273 PolarHBondContact O-N 3.32Å; C269-F273 VanDerWaalsContact O-N 3.11Å; C269-Y307 VanDerWaalsContact C-CE1 3.48Å
270M88.1Confident76.5Confident3 Ų345.7 Ų45.72%0.01524%0.241CC..Hα-helixtrans-61.3-35.8-175.7-167.6168.7-175.200111.3Q272 F273 I274 Y307 C314 L315 E421 F424 I425M270-Q272 VanDerWaalsContact C-N 3.34Å; M270-Q272 PolarHBondContact O-N 2.96Å; M270-F273 WeakPolarHBondContact O-CB 3.27Å; M270-F273 PolarHBondContact O-N 3.43Å; M270-F273 VanDerWaalsContact O-N 3.1Å; M270-I274 HydrophobicContact CG-CG1 4.34Å; M270-I274 WeakPolarHBondContact O-CG1 3.34Å; M270-I274 PolarHBondContact O-N 3.38Å; M270-Y307 HydrophobicContact CB-CE1 4.48Å; M270-Y307 WeakPolarHBondContact CB-OH 3.47Å; M270-Y307 PolarHBondContact N-OH 3.13Å; M270-C314 HydrophobicContact CE-CB 4.37Å; M270-L315 HydrophobicContact CE-CD2 4.05Å; M270-E421 HydrophobicContact CB-CB 4.45Å; M270-E421 HydrophobicContact CB-CG 4.01Å; M270-F424 HydrophobicContact CB-CD2 4.28Å; M270-F424 HydrophobicContact CE-CB 3.69Å; M270-F424 HydrophobicContact CG-CB 4.31Å; M270-F424 HydrophobicContact CG-CD2 4Å; M270-F424 HydrophobicContact CG-CG 4.48Å; M270-F424 HydrophobicContact SD-CB 3.82Å; M270-F424 HydrophobicContact SD-CD2 4.39Å; M270-I425 HydrophobicContact CE-CG1 4.11Å; M270-I425 HydrophobicContact SD-CD1 4.44Å; M270-I425 HydrophobicContact SD-CG1 3.91Å
271S89Confident78.7Confident4 Ų442.1 Ų42.13%0.02822%0.224CC..Hα-helixtrans-55.6-45.6175.3-161.40000112.5C269 Q275 R403 E420 F424C269-S271 PolarHBondContact O-N 3.33Å; S271-Q275 WeakPolarHBondContact O-CB 3.48Å; S271-Q275 WeakPolarHBondContact O-CG 3.24Å; S271-Q275 PolarHBondContact O-N 3.26Å; S271-Q275 PolarHBondContact O-NE2 2.9Å; S271-Q275 PolarHBondContact OG-NE2 2.89Å; S271-Q275 VanDerWaalsContact OG-NE2 3.12Å; S271-R403 PolarHBondContact OG-NE 3.07Å; S271-R403 PolarHBondContact OG-NH2 2.72Å; S271-E420 WeakPolarHBondContact CB-OE2 3.42Å; S271-E420 PolarHBondContact OG-OE1 2.99Å; S271-E420 VanDerWaalsContact OG-OE1 3.06Å; S271-E420 PolarHBondContact OG-OE2 3.09Å; S271-F424 VanDerWaalsContact CA-CE2 3.47Å
272Q89.1Confident80.7Confident77 Ų7741.5 Ų41.536%0.3622%0.221SC..Hα-helixtrans-72.7-31.4176.2-68.8-164.627.600112.6P266 A267 C269 M270 F276P266-Q272 PolarHBondContact O-NE2 2.88Å; P266-Q272 PolarHBondContact O-OE1 3.5Å; A267-Q272 VanDerWaalsContact CA-OE1 3.28Å; C269-Q272 PolarHBondContact O-N 3.38Å; C269-Q272 VanDerWaalsContact O-N 3.11Å; M270-Q272 VanDerWaalsContact C-N 3.34Å; M270-Q272 PolarHBondContact O-N 2.96Å; Q272-F276 WeakPolarHBondContact O-CB 3.4Å; Q272-F276 PolarHBondContact O-N 2.96Å
273F92.2Very high82.6Confident2 Ų236.8 Ų36.81%0.00920%0.2CC..Hα-helixtrans-63.3-47171.7166.7-104.2000112.4C269 M270 F276 F277 I281 L284 R308 C311 L315C269-F273 PolarHBondContact O-N 3.32Å; C269-F273 VanDerWaalsContact O-N 3.11Å; M270-F273 WeakPolarHBondContact O-CB 3.27Å; M270-F273 PolarHBondContact O-N 3.43Å; M270-F273 VanDerWaalsContact O-N 3.1Å; F273-F276 PolarHBondContact O-N 2.98Å; F273-F277 AromaticContact CD2-CD2 3.92Å; F273-F277 HydrophobicContact CD2-CD2 3.92Å; F273-F277 AromaticContact CD2-CE2 3.75Å; F273-F277 HydrophobicContact CD2-CE2 3.75Å; F273-F277 AromaticContact CE2-CD2 3.78Å; F273-F277 HydrophobicContact CE2-CD2 3.78Å; F273-F277 AromaticContact CE2-CE2 3.49Å; F273-F277 HydrophobicContact CE2-CE2 3.49Å; F273-F277 VanDerWaalsContact CE2-CE2 3.49Å; F273-F277 HydrophobicContact CZ-CD2 4.43Å; F273-F277 HydrophobicContact CZ-CE2 4.43Å; F273-F277 WeakPolarHBondContact O-CD2 3.36Å; F273-F277 PolarHBondContact O-N 2.8Å; F273-I281 HydrophobicContact CD1-CD1 4.2Å; F273-I281 HydrophobicContact CE1-CD1 3.56Å; F273-I281 HydrophobicContact CZ-CD1 3.84Å; F273-L284 HydrophobicContact CE2-CD2 4Å; F273-L284 HydrophobicContact CZ-CD2 3.66Å; F273-R308 HydrophobicContact CD2-CB 3.88Å; F273-R308 HydrophobicContact CD2-CG 3.78Å; F273-R308 HydrophobicContact CE2-CB 4.05Å; F273-R308 HydrophobicContact CE2-CG 4.44Å; F273-C311 HydrophobicContact CD1-CB 3.42Å; F273-C311 VanDerWaalsContact CD1-CB 3.42Å; F273-C311 HydrophobicContact CD2-CB 4.45Å; F273-C311 HydrophobicContact CE1-CB 3.43Å; F273-C311 VanDerWaalsContact CE1-CB 3.43Å; F273-C311 HydrophobicContact CE2-CB 4.45Å; F273-C311 HydrophobicContact CG-CB 3.94Å; F273-C311 HydrophobicContact CZ-CB 3.98Å; F273-L315 HydrophobicContact CE1-CD1 4.27Å; F273-L315 HydrophobicContact CZ-CD1 4.45Å
274I93.9Very high84.2Confident4 Ų435.9 Ų35.92%0.02120%0.196CC..Hα-helixtrans-62-47.7176-59.1-63.1000110.4M270 F276 F277 G278 I281 L315 Y396 L399 F424 F428M270-I274 HydrophobicContact CG-CG1 4.34Å; M270-I274 WeakPolarHBondContact O-CG1 3.34Å; M270-I274 PolarHBondContact O-N 3.38Å; I274-F276 PolarHBondContact O-N 3.43Å; I274-F277 PolarHBondContact O-N 2.79Å; I274-G278 PolarHBondContact O-N 2.86Å; I274-I281 HydrophobicContact CD1-CD1 3.85Å; I274-I281 HydrophobicContact CD1-CG1 3.65Å; I274-L315 HydrophobicContact CD1-CD2 4.34Å; I274-Y396 HydrophobicContact CG2-CE2 4.17Å; I274-L399 HydrophobicContact CG2-CD2 4Å; I274-F424 HydrophobicContact CB-CE1 4.31Å; I274-F424 HydrophobicContact CB-CZ 4.45Å; I274-F424 HydrophobicContact CG1-CD1 3.89Å; I274-F424 HydrophobicContact CG1-CD2 4.18Å; I274-F424 HydrophobicContact CG1-CE1 4.07Å; I274-F424 HydrophobicContact CG1-CE2 4.36Å; I274-F424 HydrophobicContact CG1-CG 3.97Å; I274-F424 HydrophobicContact CG1-CZ 4.31Å; I274-F424 HydrophobicContact CG2-CD1 4.48Å; I274-F424 HydrophobicContact CG2-CE1 4.13Å; I274-F428 HydrophobicContact CD1-CE2 3.96Å
275Q92.4Very high86.2Confident91 Ų9130.1 Ų30.143%0.42516%0.16SC..Hα-helixtrans-63.6-38179.3-71.6169.640.700113S271 F277 G278S271-Q275 WeakPolarHBondContact O-CB 3.48Å; S271-Q275 WeakPolarHBondContact O-CG 3.24Å; S271-Q275 PolarHBondContact O-N 3.26Å; S271-Q275 PolarHBondContact O-NE2 2.9Å; S271-Q275 PolarHBondContact OG-NE2 2.89Å; S271-Q275 VanDerWaalsContact OG-NE2 3.12Å; Q275-F277 PolarHBondContact O-N 2.86Å; Q275-G278 PolarHBondContact O-N 2.82Å
276F93.1Very high88.1Confident42 Ų4225.3 Ų25.318%0.18414%0.138CC..Hα-helixtrans-65.2-34.9-179.1171.8-90.9000112.8Q272 F273 I274 N372 Q373Q272-F276 WeakPolarHBondContact O-CB 3.4Å; Q272-F276 PolarHBondContact O-N 2.96Å; F273-F276 PolarHBondContact O-N 2.98Å; I274-F276 PolarHBondContact O-N 3.43Å; F276-N372 WeakPolarHBondContact CE1-O 3.26Å; F276-N372 WeakPolarHBondContact CE2-OD1 3.42Å; F276-N372 WeakPolarHBondContact CZ-OD1 3.21Å; F276-Q373 HydrophobicContact CD1-CG 4.13Å; F276-Q373 HydrophobicContact CD2-CG 4.37Å; F276-Q373 HydrophobicContact CE1-CG 3.71Å; F276-Q373 HydrophobicContact CE2-CG 3.97Å; F276-Q373 HydrophobicContact CG-CG 4.45Å; F276-Q373 HydrophobicContact CZ-CG 3.63Å; F276-Q373 VanDerWaalsContact O-CG 3.3Å; F276-Q373 WeakPolarHBondContact O-CG 3.37Å; F276-Q373 PolarHBondContact O-NE2 3.27Å
277F94.9Very high90.3Very high8 Ų821.4 Ų21.44%0.03511%0.113CC..Hα-helixtrans-88.3-22.9173.1-74.6-74.9000113.4F273 I274 Q275 E279 Q280 I281 L284 I370F273-F277 AromaticContact CD2-CD2 3.92Å; F273-F277 HydrophobicContact CD2-CD2 3.92Å; F273-F277 AromaticContact CD2-CE2 3.75Å; F273-F277 HydrophobicContact CD2-CE2 3.75Å; F273-F277 AromaticContact CE2-CD2 3.78Å; F273-F277 HydrophobicContact CE2-CD2 3.78Å; F273-F277 AromaticContact CE2-CE2 3.49Å; F273-F277 HydrophobicContact CE2-CE2 3.49Å; F273-F277 VanDerWaalsContact CE2-CE2 3.49Å; F273-F277 HydrophobicContact CZ-CD2 4.43Å; F273-F277 HydrophobicContact CZ-CE2 4.43Å; F273-F277 WeakPolarHBondContact O-CD2 3.36Å; F273-F277 PolarHBondContact O-N 2.8Å; I274-F277 PolarHBondContact O-N 2.79Å; Q275-F277 PolarHBondContact O-N 2.86Å; F277-E279 PolarHBondContact O-N 3.17Å; F277-Q280 HydrophobicContact CB-CB 4.42Å; F277-Q280 VanDerWaalsContact O-CB 3.28Å; F277-Q280 WeakPolarHBondContact O-CB 3.24Å; F277-Q280 PolarHBondContact O-N 2.92Å; F277-I281 HydrophobicContact CB-CB 4.24Å; F277-I281 HydrophobicContact CB-CD1 4.35Å; F277-I281 HydrophobicContact CD2-CD1 4.48Å; F277-L284 HydrophobicContact CD2-CD2 4.21Å; F277-L284 HydrophobicContact CE2-CD2 4.13Å; F277-L284 HydrophobicContact CZ-CD2 4.37Å; F277-I370 HydrophobicContact CE1-CG2 3.87Å; F277-I370 HydrophobicContact CZ-CG2 3.84Å
278G95.6Very high92.2Very high15 Ų1520 Ų2016%0.15510%0.101CC..G310 helixtrans56.2-134.8-177.400000111.6I274 Q275 Q280 I281 Y396I274-G278 PolarHBondContact O-N 2.86Å; Q275-G278 PolarHBondContact O-N 2.82Å; G278-Q280 PolarHBondContact O-N 3.06Å; G278-Q280 VanDerWaalsContact O-N 3.13Å; G278-I281 WeakPolarHBondContact O-CB 3.23Å; G278-I281 WeakPolarHBondContact O-CG2 3.39Å; G278-I281 PolarHBondContact O-N 2.9Å; G278-I281 VanDerWaalsContact O-N 3.09Å; G278-Y396 WeakPolarHBondContact O-CD2 3.41Å; G278-Y396 VanDerWaalsContact O-CE2 3.25Å; G278-Y396 WeakPolarHBondContact O-CE2 3.4Å
279E95.9Very high93.7Very high67 Ų6720 Ų2031%0.31310%0.101SC..G310 helixtrans-55.2-30.5176.2-61.8-173.7159.100112.9F277 I281 M282 L388 K393 Y396F277-E279 PolarHBondContact O-N 3.17Å; E279-I281 PolarHBondContact O-N 2.77Å; E279-I281 VanDerWaalsContact O-N 3.08Å; E279-M282 PolarHBondContact O-N 3.45Å; E279-M282 VanDerWaalsContact O-N 3.08Å; E279-L388 HydrophobicContact CB-CD1 3.6Å; E279-L388 HydrophobicContact CB-CD2 4.23Å; E279-L388 VanDerWaalsContact O-CD2 3.26Å; E279-L388 WeakPolarHBondContact O-CD2 3.49Å; E279-K393 WeakPolarHBondContact OE1-CG 3.41Å; E279-K393 IonicContact OE1-NZ 2.92Å; E279-K393 WeakPolarHBondContact OE2-CE 3.33Å; E279-K393 IonicContact OE2-NZ 3.48Å; E279-K393 PolarHBondContact OE2-NZ 3.26Å; E279-Y396 HydrophobicContact CG-CD1 3.92Å; E279-Y396 HydrophobicContact CG-CE1 4.48Å; E279-Y396 HydrophobicContact CG-CG 4.33Å
280Q95.7Very high94.3Very high68 Ų6818.4 Ų18.432%0.3189%0.09SC..G310 helixtrans-65.2-12.3-179.5-60.6-69.3600113.6F277 G278 M282 V283 L284F277-Q280 HydrophobicContact CB-CB 4.42Å; F277-Q280 VanDerWaalsContact O-CB 3.28Å; F277-Q280 WeakPolarHBondContact O-CB 3.24Å; F277-Q280 PolarHBondContact O-N 2.92Å; G278-Q280 PolarHBondContact O-N 3.06Å; G278-Q280 VanDerWaalsContact O-N 3.13Å; Q280-M282 PolarHBondContact O-N 3.34Å; Q280-V283 WeakPolarHBondContact O-CB 3.48Å; Q280-V283 PolarHBondContact O-N 3Å; Q280-V283 VanDerWaalsContact O-N 3.09Å; Q280-L284 PolarHBondContact O-N 3.11Å
281I96.9Very high94.5Very high0 Ų020.1 Ų20.10%010%0.096CC..Hα-helixtrans-58-29170.8-16264.2000112F273 I274 F277 G278 E279 L284 W285 L315 Y396 F428F273-I281 HydrophobicContact CD1-CD1 4.2Å; F273-I281 HydrophobicContact CE1-CD1 3.56Å; F273-I281 HydrophobicContact CZ-CD1 3.84Å; I274-I281 HydrophobicContact CD1-CD1 3.85Å; I274-I281 HydrophobicContact CD1-CG1 3.65Å; F277-I281 HydrophobicContact CB-CB 4.24Å; F277-I281 HydrophobicContact CB-CD1 4.35Å; F277-I281 HydrophobicContact CD2-CD1 4.48Å; G278-I281 WeakPolarHBondContact O-CB 3.23Å; G278-I281 WeakPolarHBondContact O-CG2 3.39Å; G278-I281 PolarHBondContact O-N 2.9Å; G278-I281 VanDerWaalsContact O-N 3.09Å; E279-I281 PolarHBondContact O-N 2.77Å; E279-I281 VanDerWaalsContact O-N 3.08Å; I281-L284 HydrophobicContact CD1-CD2 4.17Å; I281-L284 PolarHBondContact O-N 2.86Å; I281-W285 VanDerWaalsContact O-CB 3.27Å; I281-W285 WeakPolarHBondContact O-CB 3.38Å; I281-W285 PolarHBondContact O-N 3.32Å; I281-L315 HydrophobicContact CD1-CD1 3.88Å; I281-L315 HydrophobicContact CG1-CD1 4.32Å; I281-Y396 HydrophobicContact CG2-CD2 3.79Å; I281-Y396 HydrophobicContact CG2-CE2 4.22Å; I281-F428 HydrophobicContact CG1-CZ 4.06Å; I281-F428 HydrophobicContact CG2-CZ 4.32Å
282M97.2Very high94.8Very high0 Ų021.3 Ų21.30%010%0.101CC..Hα-helixtrans-72.5-34.2177.5-61.6-59.5157.900112E279 Q280 W285 K286 L388 D392 K395 Y396 L399 F427 F428E279-M282 PolarHBondContact O-N 3.45Å; E279-M282 VanDerWaalsContact O-N 3.08Å; Q280-M282 PolarHBondContact O-N 3.34Å; M282-W285 HydrophobicContact SD-CE3 4.37Å; M282-K286 WeakPolarHBondContact O-CG 3.13Å; M282-K286 PolarHBondContact O-N 3.29Å; M282-K286 VanDerWaalsContact O-N 3.14Å; M282-L388 HydrophobicContact CB-CD2 4.36Å; M282-D392 HydrophobicContact CB-CB 3.83Å; M282-D392 HydrophobicContact CG-CB 4.13Å; M282-K395 HydrophobicContact CE-CB 3.78Å; M282-K395 HydrophobicContact CG-CB 4.48Å; M282-K395 HydrophobicContact SD-CB 3.78Å; M282-K395 HydrophobicContact SD-CD 3.91Å; M282-Y396 HydrophobicContact CE-CD2 4.43Å; M282-L399 HydrophobicContact CE-CD2 4.39Å; M282-F427 HydrophobicContact CE-CE1 4.17Å; M282-F428 HydrophobicContact CE-CE1 4.13Å; M282-F428 HydrophobicContact CE-CZ 3.94Å; M282-F428 HydrophobicContact SD-CE1 4.06Å; M282-F428 HydrophobicContact SD-CZ 4.4Å
283V96.9Very high95.1Very high0 Ų019 Ų190%09%0.089CC..Hα-helixtrans-66.2-45171.2170.40000110.2Q280 K286 F287 V375 L386 L388Q280-V283 WeakPolarHBondContact O-CB 3.48Å; Q280-V283 PolarHBondContact O-N 3Å; Q280-V283 VanDerWaalsContact O-N 3.09Å; V283-K286 PolarHBondContact O-N 3.48Å; V283-F287 HydrophobicContact CG1-CD2 3.95Å; V283-F287 HydrophobicContact CG1-CE2 3.53Å; V283-F287 WeakPolarHBondContact O-CD2 3.47Å; V283-F287 PolarHBondContact O-N 3.31Å; V283-V375 HydrophobicContact CG1-CG1 4.19Å; V283-L386 HydrophobicContact CG1-CD2 4Å; V283-L388 HydrophobicContact CG2-CD2 3.79Å; V283-L388 HydrophobicContact CG2-CG 4.12Å
284L96.6Very high95.4Very high0 Ų018.9 Ų18.90%09%0.088CC..Hα-helixtrans-62-45.3178.3-171.458.1000111.9F273 F277 Q280 I281 K286 F287 V288 L294 L315 I370F273-L284 HydrophobicContact CE2-CD2 4Å; F273-L284 HydrophobicContact CZ-CD2 3.66Å; F277-L284 HydrophobicContact CD2-CD2 4.21Å; F277-L284 HydrophobicContact CE2-CD2 4.13Å; F277-L284 HydrophobicContact CZ-CD2 4.37Å; Q280-L284 PolarHBondContact O-N 3.11Å; I281-L284 HydrophobicContact CD1-CD2 4.17Å; I281-L284 PolarHBondContact O-N 2.86Å; L284-K286 PolarHBondContact O-N 3.09Å; L284-F287 PolarHBondContact O-N 3.14Å; L284-V288 WeakPolarHBondContact O-CB 3.4Å; L284-V288 VanDerWaalsContact O-CG2 3.3Å; L284-V288 WeakPolarHBondContact O-CG2 3.47Å; L284-V288 PolarHBondContact O-N 2.95Å; L284-L294 HydrophobicContact CD1-CD2 3.57Å; L284-L315 HydrophobicContact CG-CD1 4.48Å; L284-I370 HydrophobicContact CD1-CD1 3.45Å; L284-I370 VanDerWaalsContact CD1-CD1 3.45Å
285W96.8Very high95.6Very high1 Ų118.7 Ų18.70%0.0049%0.087CC..Hα-helixtrans-55.6-45.1173.8163.166.4000112.6I281 M282 V288 L289 L315 K395 F428 L431 N432 I435 L460 F468I281-W285 VanDerWaalsContact O-CB 3.27Å; I281-W285 WeakPolarHBondContact O-CB 3.38Å; I281-W285 PolarHBondContact O-N 3.32Å; M282-W285 HydrophobicContact SD-CE3 4.37Å; W285-V288 WeakPolarHBondContact O-CB 3.47Å; W285-V288 PolarHBondContact O-N 2.83Å; W285-L289 HydrophobicContact CZ2-CD2 4.32Å; W285-L289 WeakPolarHBondContact O-CB 3.42Å; W285-L289 PolarHBondContact O-N 2.63Å; W285-L315 HydrophobicContact CB-CB 4.49Å; W285-L315 HydrophobicContact CB-CD1 4.27Å; W285-K395 HydrophobicContact CH2-CD 4.48Å; W285-K395 HydrophobicContact CZ3-CD 4.09Å; W285-F428 HydrophobicContact CB-CD1 4.25Å; W285-F428 HydrophobicContact CB-CE1 3.83Å; W285-F428 AromaticContact CD1-CD1 3.52Å; W285-F428 AromaticContact CD1-CE1 3.98Å; W285-F428 HydrophobicContact CD2-CD1 4.38Å; W285-F428 HydrophobicContact CD2-CE1 4.35Å; W285-F428 AromaticContact CG-CD1 3.78Å; W285-F428 HydrophobicContact CG-CD1 3.78Å; W285-F428 AromaticContact CG-CE1 3.76Å; W285-F428 HydrophobicContact CG-CE1 3.76Å; W285-F428 AromaticContact NE1-CD1 3.95Å; W285-L431 HydrophobicContact CZ2-CB 4.3Å; W285-N432 PolarHBondContact NE1-OD1 3.02Å; W285-I435 HydrophobicContact CH2-CD1 3.72Å; W285-I435 HydrophobicContact CZ2-CD1 3.6Å; W285-L460 HydrophobicContact CH2-CD2 4.31Å; W285-F468 HydrophobicContact CH2-CE1 4.48Å; W285-F468 HydrophobicContact CH2-CZ 4.46Å
286K96.9Very high95.9Very high2 Ų214.8 Ų14.81%0.0097%0.069CC..Hα-helixtrans-58.9-50.2177-71.9174.8-161.5-179.20111.8M282 V283 L284 V288 L289 L290 D392 D465 F468M282-K286 WeakPolarHBondContact O-CG 3.13Å; M282-K286 PolarHBondContact O-N 3.29Å; M282-K286 VanDerWaalsContact O-N 3.14Å; V283-K286 PolarHBondContact O-N 3.48Å; L284-K286 PolarHBondContact O-N 3.09Å; K286-V288 VanDerWaalsContact C-N 3.32Å; K286-V288 PolarHBondContact O-N 2.75Å; K286-L289 PolarHBondContact O-N 2.77Å; K286-L290 WeakPolarHBondContact O-CB 3.23Å; K286-L290 VanDerWaalsContact O-CG 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.45Å; K286-L290 PolarHBondContact O-N 2.86Å; K286-D392 WeakPolarHBondContact CE-OD1 3.31Å; K286-D392 IonicContact NZ-OD1 3.79Å; K286-D392 PolarHBondContact NZ-OD1 3.18Å; K286-D392 IonicContact NZ-OD2 2.68Å; K286-D392 PolarHBondContact NZ-OD2 3.47Å; K286-D465 WeakPolarHBondContact CE-OD1 3.35Å; K286-D465 IonicContact NZ-OD1 3.54Å; K286-D465 PolarHBondContact NZ-OD1 3.43Å; K286-F468 HydrophobicContact CB-CD2 3.66Å; K286-F468 HydrophobicContact CB-CE2 3.57Å; K286-F468 HydrophobicContact CB-CZ 4.36Å; K286-F468 HydrophobicContact CD-CD2 4.12Å; K286-F468 HydrophobicContact CD-CG 4.18Å; K286-F468 HydrophobicContact CG-CD1 4.49Å; K286-F468 HydrophobicContact CG-CD2 3.72Å; K286-F468 HydrophobicContact CG-CE1 4.42Å; K286-F468 HydrophobicContact CG-CE2 3.64Å; K286-F468 HydrophobicContact CG-CG 4.15Å; K286-F468 HydrophobicContact CG-CZ 3.99Å
287F97.1Very high96.1Very high0 Ų014.2 Ų14.20%07%0.067CC..Hα-helixtrans-63.6-37.6179.5-70.8-60000113.5V283 L284 L290 R291 K292 L294 V368 V375 L382 L385 L386V283-F287 HydrophobicContact CG1-CD2 3.95Å; V283-F287 HydrophobicContact CG1-CE2 3.53Å; V283-F287 WeakPolarHBondContact O-CD2 3.47Å; V283-F287 PolarHBondContact O-N 3.31Å; L284-F287 PolarHBondContact O-N 3.14Å; F287-L290 CarbonylContact O-C 3.58Å; F287-L290 PolarHBondContact O-N 3.32Å; F287-R291 PolarHBondContact O-N 2.86Å; F287-K292 HydrophobicContact CD1-CG 4.17Å; F287-K292 PolarHBondContact O-N 3.03Å; F287-K292 VanDerWaalsContact O-N 3.15Å; F287-L294 HydrophobicContact CB-CD1 4.11Å; F287-V368 HydrophobicContact CB-CG2 4.1Å; F287-V368 HydrophobicContact CD1-CG2 3.61Å; F287-V368 HydrophobicContact CD2-CG1 4.3Å; F287-V368 HydrophobicContact CD2-CG2 3.88Å; F287-V368 HydrophobicContact CE1-CG2 3.88Å; F287-V368 HydrophobicContact CE2-CG1 4.46Å; F287-V368 HydrophobicContact CE2-CG2 4.11Å; F287-V368 HydrophobicContact CG-CG2 3.62Å; F287-V368 HydrophobicContact CZ-CG2 4.12Å; F287-V375 HydrophobicContact CD2-CG1 4.28Å; F287-V375 HydrophobicContact CE2-CG1 4Å; F287-L382 HydrophobicContact CE1-CB 4.02Å; F287-L382 HydrophobicContact CE1-CD1 4.32Å; F287-L382 HydrophobicContact CE1-CD2 4.34Å; F287-L382 HydrophobicContact CE1-CG 4.45Å; F287-L385 HydrophobicContact CD1-CD1 4.12Å; F287-L385 HydrophobicContact CE1-CB 3.81Å; F287-L385 HydrophobicContact CE1-CD1 3.64Å; F287-L385 HydrophobicContact CE1-CG 4.36Å; F287-L385 HydrophobicContact CE2-CB 4.48Å; F287-L385 HydrophobicContact CZ-CB 3.71Å; F287-L385 HydrophobicContact CZ-CD1 4.41Å; F287-L386 HydrophobicContact CE2-CD2 3.72Å; F287-L386 HydrophobicContact CZ-CD2 3.94Å; F287-L386 HydrophobicContact CZ-CG 4.33Å
288V94.6Very high96.1Very high0 Ų015.3 Ų15.30%08%0.075CC..Hα-helixtrans-61.3-47.3173.31570000111.2L284 W285 K286 L290 R291 L294 C312 L315 A316 L330L284-V288 WeakPolarHBondContact O-CB 3.4Å; L284-V288 VanDerWaalsContact O-CG2 3.3Å; L284-V288 WeakPolarHBondContact O-CG2 3.47Å; L284-V288 PolarHBondContact O-N 2.95Å; W285-V288 WeakPolarHBondContact O-CB 3.47Å; W285-V288 PolarHBondContact O-N 2.83Å; K286-V288 VanDerWaalsContact C-N 3.32Å; K286-V288 PolarHBondContact O-N 2.75Å; V288-L290 VanDerWaalsContact C-N 3.32Å; V288-L290 PolarHBondContact O-N 3.21Å; V288-R291 PolarHBondContact O-N 2.72Å; V288-L294 HydrophobicContact CG2-CD2 3.57Å; V288-C312 WeakPolarHBondContact CG1-O 3.48Å; V288-C312 HydrophobicContact CG2-CB 4.1Å; V288-L315 HydrophobicContact CG1-CB 4.13Å; V288-A316 HydrophobicContact CG1-CB 3.52Å; V288-L330 HydrophobicContact CG1-CD2 3.73Å
289L93.4Very high96Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-66-37.7179.5-158.470.5000111.4W285 K286 R291 N432 I435 F436 F468 L472 Y476W285-L289 HydrophobicContact CZ2-CD2 4.32Å; W285-L289 WeakPolarHBondContact O-CB 3.42Å; W285-L289 PolarHBondContact O-N 2.63Å; K286-L289 PolarHBondContact O-N 2.77Å; L289-R291 PolarHBondContact O-N 2.74Å; L289-N432 HydrophobicContact CD1-CB 4.33Å; L289-N432 WeakPolarHBondContact CD1-OD1 3.42Å; L289-I435 HydrophobicContact CD2-CD1 4.35Å; L289-F436 HydrophobicContact CD1-CE2 3.97Å; L289-F436 HydrophobicContact CD1-CZ 4.11Å; L289-F436 HydrophobicContact CD2-CE2 4.45Å; L289-F436 HydrophobicContact CD2-CZ 4.25Å; L289-F436 HydrophobicContact CG-CE2 4.44Å; L289-F436 HydrophobicContact CG-CZ 4.15Å; L289-F468 HydrophobicContact CD2-CZ 3.92Å; L289-L472 HydrophobicContact CD2-CD1 4.07Å; L289-L472 HydrophobicContact CD2-CD2 4.4Å; L289-L472 HydrophobicContact CG-CD1 4.1Å; L289-Y476 WeakPolarHBondContact O-CE2 3.43Å; L289-Y476 PolarHBondContact O-OH 2.9Å
290L94.3Very high95.9Very high2 Ų216.5 Ų16.51%0.019%0.086CC..THydrogen-bonded Turntrans-72.15.7171.8-66.2-177.8000114.6K286 F287 V288 K292 L385 F468 D471 L472K286-L290 WeakPolarHBondContact O-CB 3.23Å; K286-L290 VanDerWaalsContact O-CG 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.45Å; K286-L290 PolarHBondContact O-N 2.86Å; F287-L290 CarbonylContact O-C 3.58Å; F287-L290 PolarHBondContact O-N 3.32Å; V288-L290 VanDerWaalsContact C-N 3.32Å; V288-L290 PolarHBondContact O-N 3.21Å; L290-K292 HydrophobicContact CB-CD 4.26Å; L290-K292 HydrophobicContact CB-CG 3.97Å; L290-K292 PolarHBondContact O-N 2.88Å; L290-L385 HydrophobicContact CD1-CD1 3.62Å; L290-F468 HydrophobicContact CD1-CD2 3.92Å; L290-F468 HydrophobicContact CD1-CE2 4.35Å; L290-F468 HydrophobicContact CD2-CD2 4.19Å; L290-F468 HydrophobicContact CD2-CE2 4.15Å; L290-F468 HydrophobicContact CG-CD2 3.95Å; L290-F468 HydrophobicContact CG-CE2 3.9Å; L290-D471 HydrophobicContact CD1-CB 3.74Å; L290-D471 HydrophobicContact CD2-CB 3.69Å; L290-D471 HydrophobicContact CG-CB 4.35Å; L290-L472 VanDerWaalsContact CD2-CA 3.44Å; L290-L472 HydrophobicContact CD2-CB 3.71Å; L290-L472 HydrophobicContact CD2-CD1 3.9Å; L290-L472 HydrophobicContact CD2-CG 4.44Å; L290-L472 VanDerWaalsContact CD2-N 3.34Å
291R92.4Very high95.8Very high39 Ų3916.4 Ų16.415%0.1479%0.091CC..THydrogen-bonded Turntrans57.623.1175.6-55.2-61.5176.1116.3-14.3114.8F287 V288 L289 V327 P328 S349 V475 Y476F287-R291 PolarHBondContact O-N 2.86Å; V288-R291 PolarHBondContact O-N 2.72Å; L289-R291 PolarHBondContact O-N 2.74Å; R291-V327 HydrophobicContact CG-CG1 3.77Å; R291-P328 PolarHBondContact NH1-O 3.3Å; R291-S349 WeakPolarHBondContact CB-OG 3.47Å; R291-S349 WeakPolarHBondContact O-CA 3.16Å; R291-S349 WeakPolarHBondContact O-CB 3.45Å; R291-S349 PolarHBondContact O-OG 2.84Å; R291-V475 HydrophobicContact CB-CG1 4.35Å; R291-V475 HydrophobicContact CG-CG1 4.18Å; R291-Y476 PolarHBondContact NE-OH 2.99Å; R291-Y476 PolarHBondContact NH2-OH 3.44Å
292K95.1Very high95.7Very high29 Ų2916.4 Ų16.413%0.1269%0.091CC..  trans-65.8163.9-180-54.7-58-172.7-179.10111.3F287 L290 L294 D367 L382 D471F287-K292 HydrophobicContact CD1-CG 4.17Å; F287-K292 PolarHBondContact O-N 3.03Å; F287-K292 VanDerWaalsContact O-N 3.15Å; L290-K292 HydrophobicContact CB-CD 4.26Å; L290-K292 HydrophobicContact CB-CG 3.97Å; L290-K292 PolarHBondContact O-N 2.88Å; K292-L294 HydrophobicContact CB-CD1 4.04Å; K292-L294 WeakPolarHBondContact O-CD1 3.39Å; K292-L294 PolarHBondContact O-N 3.09Å; K292-D367 HydrophobicContact CB-CB 4.05Å; K292-L382 HydrophobicContact CD-CD1 4.43Å; K292-L382 HydrophobicContact CD-CD2 4.41Å; K292-D471 WeakPolarHBondContact CE-OD2 3.4Å; K292-D471 IonicContact NZ-OD2 3.65Å; K292-D471 PolarHBondContact NZ-OD2 3.36Å
293R96.3Very high95.4Very high29 Ų2916.4 Ų16.411%0.1099%0.091CC..EExtended strand (participates in β ladder)trans-84.4109.8177.1-60.1169.8-60.9150.99.3110.1E347 Y350 E364 L365 Y366 D367 V368R293-E347 VanDerWaalsContact CD-O 3.22Å; R293-E347 WeakPolarHBondContact CD-O 3.25Å; R293-Y350 HydrophobicContact CB-CD1 4.02Å; R293-Y350 HydrophobicContact CB-CE1 3.68Å; R293-Y350 HydrophobicContact CB-CE2 4.37Å; R293-Y350 HydrophobicContact CG-CD1 3.85Å; R293-Y350 HydrophobicContact CG-CE1 3.77Å; R293-E364 PolarHBondContact NH1-O 3.24Å; R293-E364 PolarHBondContact NH2-O 3.03Å; R293-L365 PolarHBondContact NH1-O 3.31Å; R293-Y366 PolarHBondContact NH2-O 2.84Å; R293-D367 WeakPolarHBondContact CB-OD2 3.32Å; R293-D367 WeakPolarHBondContact CG-OD2 3.25Å; R293-D367 IonicContact CZ-OD1 3.23Å; R293-D367 IonicContact CZ-OD2 2.78Å; R293-D367 PolarHBondContact N-OD2 3.19Å; R293-D367 IonicContact NE-OD1 2.76Å; R293-D367 PolarHBondContact NE-OD1 2.87Å; R293-D367 IonicContact NE-OD2 3.69Å; R293-D367 PolarHBondContact NE-OD2 3.26Å; R293-D367 IonicContact NH2-OD1 2.77Å; R293-D367 PolarHBondContact NH2-OD1 3.32Å; R293-D367 IonicContact NH2-OD2 3.77Å; R293-D367 PolarHBondContact O-N 3.21Å; R293-V368 PolarHBondContact O-N 3.31Å
294L97.5Very high95.1Very high0 Ų017.1 Ų17.10%010%0.096CC..EExtended strand (participates in β ladder)trans-104.5129.1-176.7-83.163.2000111L284 F287 V288 K292 Y350 V351 A352 V368 I370L284-L294 HydrophobicContact CD1-CD2 3.57Å; F287-L294 HydrophobicContact CB-CD1 4.11Å; V288-L294 HydrophobicContact CG2-CD2 3.57Å; K292-L294 HydrophobicContact CB-CD1 4.04Å; K292-L294 WeakPolarHBondContact O-CD1 3.39Å; K292-L294 PolarHBondContact O-N 3.09Å; L294-Y350 PolarHBondContact N-O 3.42Å; L294-Y350 WeakPolarHBondContact O-CE2 3.45Å; L294-V351 HydrophobicContact CB-CB 4.47Å; L294-V351 HydrophobicContact CB-CG1 4.03Å; L294-V351 HydrophobicContact CB-CG2 4.33Å; L294-V351 HydrophobicContact CD2-CG2 4.42Å; L294-A352 PolarHBondContact O-N 3.42Å; L294-V368 HydrophobicContact CD1-CB 4.33Å; L294-V368 HydrophobicContact CD1-CG2 4.38Å; L294-V368 HydrophobicContact CG-CB 4.16Å; L294-I370 HydrophobicContact CD2-CD1 4.49Å
295L98Very high95Very high0 Ų017.3 Ų17.30%010%0.097CC..EExtended strand (participates in β ladder)trans-124.5118.3175.3-178.850.8000111.5I336 A352 T354 F359 Y366 V368 Y369 I370L295-I336 HydrophobicContact CD1-CD1 3.75Å; L295-I336 HydrophobicContact CD1-CG1 4.18Å; L295-I336 HydrophobicContact CD2-CD1 4.48Å; L295-A352 HydrophobicContact CD1-CB 4.25Å; L295-T354 HydrophobicContact CD1-CG2 3.87Å; L295-T354 HydrophobicContact CD2-CG2 4.38Å; L295-T354 HydrophobicContact CG-CG2 4.32Å; L295-F359 HydrophobicContact CD2-CB 3.64Å; L295-F359 HydrophobicContact CD2-CD1 3.66Å; L295-F359 HydrophobicContact CD2-CE1 4.5Å; L295-F359 HydrophobicContact CD2-CG 3.75Å; L295-Y366 HydrophobicContact CB-CG 4.37Å; L295-Y366 HydrophobicContact CD2-CD1 4.1Å; L295-V368 PolarHBondContact N-O 3.35Å; L295-Y369 HydrophobicContact CB-CD2 4.43Å; L295-Y369 HydrophobicContact CD2-CD2 4.37Å; L295-Y369 HydrophobicContact CD2-CE2 4.49Å; L295-Y369 HydrophobicContact CG-CD2 4.26Å; L295-Y369 HydrophobicContact CG-CE2 4.48Å; L295-Y369 CarbonylContact O-C 3.54Å; L295-Y369 WeakPolarHBondContact O-CA 3.35Å; L295-I370 PolarHBondContact O-N 2.82Å
296I97.8Very high94.9Very high8 Ų817.3 Ų17.34%0.04110%0.097CC..EExtended strand (participates in β ladder)trans-96118.3175.6-53.5173.1000109.7V305 R308 V309 A352 C353 T354 I370I296-V305 HydrophobicContact CB-CG1 4.31Å; I296-V305 HydrophobicContact CG2-CG1 3.75Å; I296-R308 HydrophobicContact CD1-CB 4.28Å; I296-V309 HydrophobicContact CD1-CG2 4.07Å; I296-A352 PolarHBondContact N-O 2.87Å; I296-C353 HydrophobicContact CB-CB 4.12Å; I296-C353 CarbonylContact O-C 3.6Å; I296-C353 WeakPolarHBondContact O-CA 3.04Å; I296-C353 WeakPolarHBondContact O-CB 3.46Å; I296-T354 PolarHBondContact O-N 3.14Å; I296-I370 HydrophobicContact CG1-CB 4.2Å; I296-I370 HydrophobicContact CG1-CD1 3.98Å
297F97.5Very high94.6Very high31 Ų3117.3 Ų17.314%0.13610%0.097CC..EExtended strand (participates in β ladder)trans-87.3134.9168.5171.7-99000110.9T354 T355 K357 Y369 I370F297-T354 WeakPolarHBondContact CA-O 3.44Å; F297-T355 WeakPolarHBondContact CE2-O 3.42Å; F297-K357 HydrophobicContact CE2-CB 3.85Å; F297-K357 HydrophobicContact CE2-CG 4.41Å; F297-K357 HydrophobicContact CZ-CB 4.16Å; F297-K357 HydrophobicContact CZ-CD 4.41Å; F297-K357 HydrophobicContact CZ-CG 4.44Å; F297-Y369 HydrophobicContact CB-CE1 4.25Å; F297-Y369 HydrophobicContact CB-CE2 3.96Å; F297-Y369 WeakPolarHBondContact CB-OH 3.29Å; F297-Y369 WeakPolarHBondContact CG-OH 3.49Å; F297-I370 PolarHBondContact N-O 3.44Å
298S95.7Very high94.4Very high31 Ų3119.2 Ų19.222%0.21710%0.104CC..  trans-161.2139.8171.3-166.90000110.3I302 T354 T355S298-I302 WeakPolarHBondContact O-CD1 3.42Å; S298-T354 PolarHBondContact N-O 3.37Å; S298-T355 WeakPolarHBondContact O-CA 3.44Å; S298-T355 WeakPolarHBondContact O-CG2 3.36Å
299P94.3Very high94.4Very high81 Ų8119.2 Ų19.253%0.52610%0.104SC..PPolyproline II helixtrans-66.2163.1164.831.1-35.3000111
300P93.2Very high94.2Very high25 Ų2519.9 Ų19.916%0.16211%0.107CC..SBendtrans-58.5148.3173.1-23.635.6000112.5S148 I153 I302 T355S148-P300 WeakPolarHBondContact O-CG 3.44Å; I153-P300 HydrophobicContact CD1-CB 3.6Å; I153-P300 HydrophobicContact CG1-CB 4.41Å; P300-I302 HydrophobicContact CB-CG1 4.49Å; P300-I302 HydrophobicContact CG-CG1 4.44Å; P300-T355 HydrophobicContact CG-CG2 3.77Å
301P93.8Very high94.1Very high66 Ų6619.8 Ų19.843%0.42911%0.106SC..PPolyproline II helixcis-80.313711.731.4-35.9000114.7I153 D156I153-P301 HydrophobicContact CD1-CB 4.14Å; D156-P301 WeakPolarHBondContact OD1-CB 3.42Å; D156-P301 WeakPolarHBondContact OD2-CA 3.18Å
302I93.5Very high94.1Very high0 Ų018 Ų180%010%0.099CC..  trans-93.4-19.9-172.8-70.9-51.7000113.6A147 D156 I158 S298 P300 V304 V305 C306 Y335 T355A147-I302 HydrophobicContact CB-CG1 4.43Å; D156-I302 PolarHBondContact OD1-N 3.29Å; D156-I302 PolarHBondContact OD2-N 3.13Å; I158-I302 HydrophobicContact CG1-CB 4.43Å; I158-I302 HydrophobicContact CG1-CG2 4.44Å; I158-I302 HydrophobicContact CG2-CG2 4.13Å; S298-I302 WeakPolarHBondContact O-CD1 3.42Å; P300-I302 HydrophobicContact CB-CG1 4.49Å; P300-I302 HydrophobicContact CG-CG1 4.44Å; I302-V304 VanDerWaalsContact C-N 3.31Å; I302-V304 PolarHBondContact O-N 3.11Å; I302-V305 HydrophobicContact CD1-CB 4.46Å; I302-V305 HydrophobicContact CD1-CG2 4.12Å; I302-V305 CarbonylContact O-C 3.48Å; I302-V305 WeakPolarHBondContact O-CA 3.39Å; I302-V305 WeakPolarHBondContact O-CB 3.43Å; I302-V305 PolarHBondContact O-N 2.79Å; I302-C306 PolarHBondContact O-N 3.31Å; I302-C306 PolarHBondContact O-SG 3.33Å; I302-C306 VanDerWaalsContact O-SG 3.39Å; I302-Y335 HydrophobicContact CG1-CD2 4.4Å; I302-Y335 HydrophobicContact CG1-CE2 4.45Å; I302-Y335 HydrophobicContact CG2-CD2 3.72Å; I302-Y335 HydrophobicContact CG2-CG 4.07Å; I302-T355 HydrophobicContact CD1-CG2 3.53Å; I302-T355 HydrophobicContact CG1-CG2 3.56Å
303G92.6Very high93.9Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-58.7-42.1-179.500000113.8D156 F157 V305 C306 Y307D156-G303 PolarHBondContact OD1-N 2.86Å; D156-G303 VanDerWaalsContact OD1-N 3.07Å; F157-G303 VanDerWaalsContact CE2-C 3.48Å; F157-G303 WeakPolarHBondContact CE2-O 3.45Å; F157-G303 VanDerWaalsContact CZ-C 3.41Å; F157-G303 VanDerWaalsContact CZ-CA 3.48Å; F157-G303 WeakPolarHBondContact O-CA 3.41Å; F157-G303 PolarHBondContact O-N 3.37Å; G303-V305 VanDerWaalsContact C-N 3.28Å; G303-V305 PolarHBondContact O-N 2.87Å; G303-C306 WeakPolarHBondContact O-CB 3.32Å; G303-C306 PolarHBondContact O-N 2.99Å; G303-Y307 PolarHBondContact O-N 2.95Å
304V90.4Very high93.4Very high16 Ų1615.5 Ų15.510%0.0979%0.09CC..Hα-helixtrans-59-40.2172.3169.60000111.5A267 I302 Y307 R308A267-V304 HydrophobicContact CB-CG1 4.28Å; A267-V304 HydrophobicContact CB-CG2 4.49Å; A267-V304 WeakPolarHBondContact O-CG1 3.48Å; I302-V304 VanDerWaalsContact C-N 3.31Å; I302-V304 PolarHBondContact O-N 3.11Å; V304-Y307 PolarHBondContact O-N 3.25Å; V304-R308 WeakPolarHBondContact O-CG 3.05Å; V304-R308 PolarHBondContact O-N 3.38Å; V304-R308 VanDerWaalsContact O-N 3.08Å
305V94.1Very high93.1Very high4 Ų415.5 Ų15.52%0.0249%0.09CC..Hα-helixtrans-74.6-35.6-177.9-162.90000111.3I296 I302 G303 Y307 R308 V309 C353I296-V305 HydrophobicContact CB-CG1 4.31Å; I296-V305 HydrophobicContact CG2-CG1 3.75Å; I302-V305 HydrophobicContact CD1-CB 4.46Å; I302-V305 HydrophobicContact CD1-CG2 4.12Å; I302-V305 CarbonylContact O-C 3.48Å; I302-V305 WeakPolarHBondContact O-CA 3.39Å; I302-V305 WeakPolarHBondContact O-CB 3.43Å; I302-V305 PolarHBondContact O-N 2.79Å; G303-V305 VanDerWaalsContact C-N 3.28Å; G303-V305 PolarHBondContact O-N 2.87Å; V305-Y307 PolarHBondContact O-N 2.94Å; V305-R308 WeakPolarHBondContact O-CB 3.39Å; V305-R308 PolarHBondContact O-N 3.38Å; V305-R308 VanDerWaalsContact O-N 3.09Å; V305-V309 PolarHBondContact O-N 3.14Å; V305-C353 HydrophobicContact CB-CB 4.33Å; V305-C353 HydrophobicContact CG1-CB 3.54Å
306C93.7Very high92.6Very high0 Ų015.9 Ų15.90%09%0.093CC..Hα-helixtrans-59.7-35.4170.5-69.20000112Y159 I302 G303 V309 Y310 F334Y159-C306 HydrophobicContact CD2-CB 4.27Å; Y159-C306 PolarHBondContact O-SG 3.45Å; Y159-C306 VanDerWaalsContact O-SG 3.42Å; I302-C306 PolarHBondContact O-N 3.31Å; I302-C306 PolarHBondContact O-SG 3.33Å; I302-C306 VanDerWaalsContact O-SG 3.39Å; G303-C306 WeakPolarHBondContact O-CB 3.32Å; G303-C306 PolarHBondContact O-N 2.99Å; C306-V309 WeakPolarHBondContact O-CB 3.19Å; C306-V309 PolarHBondContact O-N 3.06Å; C306-Y310 PolarHBondContact O-N 3.35Å; C306-Y310 VanDerWaalsContact O-N 3.12Å; C306-F334 HydrophobicContact CB-CB 4.42Å; C306-F334 HydrophobicContact CB-CD1 3.96Å; C306-F334 WeakPolarHBondContact O-CD1 3.24Å
307Y91.3Very high91.8Very high2 Ų216.6 Ų16.61%0.00810%0.097CC..Hα-helixtrans-74.8-32.3172.4175.4-80.9000113M261 I263 G268 C269 M270 G303 V304 V305 V309 Y310 C311 E421M261-Y307 HydrophobicContact CE-CD2 3.63Å; M261-Y307 HydrophobicContact CE-CG 4.09Å; M261-Y307 VanDerWaalsContact O-CD2 3.29Å; M261-Y307 WeakPolarHBondContact O-CD2 3.47Å; M261-Y307 WeakPolarHBondContact O-CE2 3.34Å; I263-Y307 HydrophobicContact CD1-CD1 4.29Å; I263-Y307 HydrophobicContact CD1-CD2 3.91Å; I263-Y307 HydrophobicContact CD1-CG 3.56Å; I263-Y307 HydrophobicContact CG1-CD2 3.98Å; I263-Y307 HydrophobicContact CG1-CG 4.16Å; G268-Y307 WeakPolarHBondContact O-CD1 3.35Å; G268-Y307 WeakPolarHBondContact O-CE1 3.43Å; C269-Y307 VanDerWaalsContact C-CE1 3.48Å; M270-Y307 HydrophobicContact CB-CE1 4.48Å; M270-Y307 WeakPolarHBondContact CB-OH 3.47Å; M270-Y307 PolarHBondContact N-OH 3.13Å; G303-Y307 PolarHBondContact O-N 2.95Å; V304-Y307 PolarHBondContact O-N 3.25Å; V305-Y307 PolarHBondContact O-N 2.94Å; Y307-V309 PolarHBondContact O-N 3.41Å; Y307-Y310 HydrophobicContact CD2-CD1 4.08Å; Y307-Y310 HydrophobicContact CE2-CD1 4.09Å; Y307-Y310 HydrophobicContact CE2-CE1 4.37Å; Y307-Y310 CarbonylContact O-C 3.51Å; Y307-Y310 WeakPolarHBondContact O-CA 3.4Å; Y307-Y310 WeakPolarHBondContact O-CB 3.49Å; Y307-Y310 PolarHBondContact O-N 3.3Å; Y307-Y310 VanDerWaalsContact O-N 3.08Å; Y307-C311 VanDerWaalsContact CD1-SG 3.56Å; Y307-C311 WeakPolarHBondContact CE1-SG 3.4Å; Y307-C311 PolarHBondContact O-N 3.36Å; Y307-C311 PolarHBondContact O-SG 3.33Å; Y307-E421 PolarHBondContact OH-OE1 3.2Å
308R92.9Very high91Very high41 Ų4116 Ų1616%0.15510%0.098CC..Hα-helixtrans-58.8-38.5168.2-62.7179.4179.9-159.7-4.9111.4F273 I296 V304 V305 C311 C312F273-R308 HydrophobicContact CD2-CB 3.88Å; F273-R308 HydrophobicContact CD2-CG 3.78Å; F273-R308 HydrophobicContact CE2-CB 4.05Å; F273-R308 HydrophobicContact CE2-CG 4.44Å; I296-R308 HydrophobicContact CD1-CB 4.28Å; V304-R308 WeakPolarHBondContact O-CG 3.05Å; V304-R308 PolarHBondContact O-N 3.38Å; V304-R308 VanDerWaalsContact O-N 3.08Å; V305-R308 WeakPolarHBondContact O-CB 3.39Å; V305-R308 PolarHBondContact O-N 3.38Å; V305-R308 VanDerWaalsContact O-N 3.09Å; R308-C311 PolarHBondContact O-N 3.07Å; R308-C312 PolarHBondContact O-N 2.85Å; R308-C312 PolarHBondContact O-SG 3.35Å
309V93.9Very high90Very high0 Ų017.1 Ų17.10%011%0.106CC..Hα-helixtrans-60.1-44.4171.6168.30000111.6I296 V305 C306 Y307 C312 C313 P332 F334 V351 C353I296-V309 HydrophobicContact CD1-CG2 4.07Å; V305-V309 PolarHBondContact O-N 3.14Å; C306-V309 WeakPolarHBondContact O-CB 3.19Å; C306-V309 PolarHBondContact O-N 3.06Å; Y307-V309 PolarHBondContact O-N 3.41Å; V309-C312 WeakPolarHBondContact O-CB 3.23Å; V309-C312 PolarHBondContact O-N 2.96Å; V309-C313 PolarHBondContact O-N 3Å; V309-C313 PolarHBondContact O-SG 3.35Å; V309-P332 HydrophobicContact CG1-CB 3.98Å; V309-F334 HydrophobicContact CB-CD1 4.42Å; V309-F334 HydrophobicContact CG1-CD1 4.16Å; V309-V351 HydrophobicContact CB-CG1 4.23Å; V309-V351 HydrophobicContact CG1-CB 3.98Å; V309-V351 HydrophobicContact CG1-CG1 3.92Å; V309-V351 WeakPolarHBondContact CG1-O 3.45Å; V309-V351 HydrophobicContact CG2-CG1 4.17Å; V309-C353 HydrophobicContact CG2-CB 3.87Å
310Y90.8Very high88.9Confident14 Ų1415.1 Ų15.16%0.0559%0.09CC..Hα-helixtrans-61.5-48.3173168.3-103.4000112.5Y196 M257 M261 C306 Y307 C312 C313 C314Y196-Y310 HydrophobicContact CE2-CD2 4.15Å; Y196-Y310 HydrophobicContact CE2-CE2 4.32Å; M257-Y310 HydrophobicContact SD-CE2 4Å; M261-Y310 HydrophobicContact CB-CD1 4.5Å; M261-Y310 HydrophobicContact CB-CE1 4.33Å; M261-Y310 HydrophobicContact CE-CD1 4.03Å; M261-Y310 HydrophobicContact CE-CG 3.79Å; C306-Y310 PolarHBondContact O-N 3.35Å; C306-Y310 VanDerWaalsContact O-N 3.12Å; Y307-Y310 HydrophobicContact CD2-CD1 4.08Å; Y307-Y310 HydrophobicContact CE2-CD1 4.09Å; Y307-Y310 HydrophobicContact CE2-CE1 4.37Å; Y307-Y310 CarbonylContact O-C 3.51Å; Y307-Y310 WeakPolarHBondContact O-CA 3.4Å; Y307-Y310 WeakPolarHBondContact O-CB 3.49Å; Y307-Y310 PolarHBondContact O-N 3.3Å; Y307-Y310 VanDerWaalsContact O-N 3.08Å; Y310-C312 VanDerWaalsContact C-N 3.3Å; Y310-C312 PolarHBondContact O-N 3.49Å; Y310-C313 WeakPolarHBondContact O-CA 3.47Å; Y310-C313 WeakPolarHBondContact O-CB 3.3Å; Y310-C313 PolarHBondContact O-N 3.23Å; Y310-C314 VanDerWaalsContact CZ-SG 3.6Å; Y310-C314 PolarHBondContact O-N 3.5Å; Y310-C314 PolarHBondContact O-SG 3.38Å
311C91.3Very high87.5Confident0 Ų019.4 Ų19.40%012%0.118CC..Hα-helixtrans-57.9-41176.9-700000112.5F273 Y307 R308 C313 C314 L315F273-C311 HydrophobicContact CD1-CB 3.42Å; F273-C311 VanDerWaalsContact CD1-CB 3.42Å; F273-C311 HydrophobicContact CD2-CB 4.45Å; F273-C311 HydrophobicContact CE1-CB 3.43Å; F273-C311 VanDerWaalsContact CE1-CB 3.43Å; F273-C311 HydrophobicContact CE2-CB 4.45Å; F273-C311 HydrophobicContact CG-CB 3.94Å; F273-C311 HydrophobicContact CZ-CB 3.98Å; Y307-C311 VanDerWaalsContact CD1-SG 3.56Å; Y307-C311 WeakPolarHBondContact CE1-SG 3.4Å; Y307-C311 PolarHBondContact O-N 3.36Å; Y307-C311 PolarHBondContact O-SG 3.33Å; R308-C311 PolarHBondContact O-N 3.07Å; C311-C313 VanDerWaalsContact C-N 3.29Å; C311-C313 PolarHBondContact O-N 3.29Å; C311-C314 WeakPolarHBondContact O-CB 3.47Å; C311-C314 PolarHBondContact O-N 3.12Å; C311-C314 VanDerWaalsContact O-N 3.14Å; C311-L315 WeakPolarHBondContact O-CG 3.39Å; C311-L315 PolarHBondContact O-N 3.11Å
312C92.9Very high86.1Confident0 Ų019.2 Ų19.20%013%0.128CC..Hα-helixtrans-55.5-46.3173.4-67.20000110.9V288 R308 V309 Y310 C314 L315 V351V288-C312 WeakPolarHBondContact CG1-O 3.48Å; V288-C312 HydrophobicContact CG2-CB 4.1Å; R308-C312 PolarHBondContact O-N 2.85Å; R308-C312 PolarHBondContact O-SG 3.35Å; V309-C312 WeakPolarHBondContact O-CB 3.23Å; V309-C312 PolarHBondContact O-N 2.96Å; Y310-C312 VanDerWaalsContact C-N 3.3Å; Y310-C312 PolarHBondContact O-N 3.49Å; C312-C314 VanDerWaalsContact C-N 3.3Å; C312-C314 PolarHBondContact O-N 3.43Å; C312-L315 WeakPolarHBondContact O-CB 3.43Å; C312-L315 PolarHBondContact O-N 3.1Å; C312-L315 VanDerWaalsContact O-N 3.13Å; C312-V351 HydrophobicContact CB-CG1 3.84Å; C312-V351 HydrophobicContact CB-CG2 4.24Å
313C89.8Confident84.8Confident5 Ų520.4 Ų20.43%0.03413%0.134CC..Hα-helixtrans-61.2-39.1178-59.10000111.8V309 Y310 C311 L315 A316V309-C313 PolarHBondContact O-N 3Å; V309-C313 PolarHBondContact O-SG 3.35Å; Y310-C313 WeakPolarHBondContact O-CA 3.47Å; Y310-C313 WeakPolarHBondContact O-CB 3.3Å; Y310-C313 PolarHBondContact O-N 3.23Å; C311-C313 VanDerWaalsContact C-N 3.29Å; C311-C313 PolarHBondContact O-N 3.29Å; C313-L315 VanDerWaalsContact C-N 3.27Å; C313-L315 PolarHBondContact O-N 3.09Å; C313-A316 WeakPolarHBondContact O-CB 3.3Å; C313-A316 PolarHBondContact O-N 3.37Å; C313-A316 VanDerWaalsContact O-N 3.09Å
314C87.3Confident83.3Confident1 Ų120.8 Ų20.81%0.00714%0.139CC..Hα-helixtrans-62.9-27.3176-64.50000114.1M270 Y310 C311 C312 A316 N317 I425M270-C314 HydrophobicContact CE-CB 4.37Å; Y310-C314 VanDerWaalsContact CZ-SG 3.6Å; Y310-C314 PolarHBondContact O-N 3.5Å; Y310-C314 PolarHBondContact O-SG 3.38Å; C311-C314 WeakPolarHBondContact O-CB 3.47Å; C311-C314 PolarHBondContact O-N 3.12Å; C311-C314 VanDerWaalsContact O-N 3.14Å; C312-C314 VanDerWaalsContact C-N 3.3Å; C312-C314 PolarHBondContact O-N 3.43Å; C314-A316 PolarHBondContact O-N 2.94Å; C314-N317 WeakPolarHBondContact O-CB 3.35Å; C314-N317 PolarHBondContact O-N 3.45Å; C314-N317 PolarHBondContact O-ND2 3.34Å; C314-I425 HydrophobicContact CB-CG1 4.25Å
315L91.2Very high82Confident0 Ų023 Ų230%017%0.165CC..Hα-helixtrans-66.3-21.3175-47.8178.3000112.3M270 F273 I274 I281 L284 W285 V288 C311 C312 C313 F428 N432M270-L315 HydrophobicContact CE-CD2 4.05Å; F273-L315 HydrophobicContact CE1-CD1 4.27Å; F273-L315 HydrophobicContact CZ-CD1 4.45Å; I274-L315 HydrophobicContact CD1-CD2 4.34Å; I281-L315 HydrophobicContact CD1-CD1 3.88Å; I281-L315 HydrophobicContact CG1-CD1 4.32Å; L284-L315 HydrophobicContact CG-CD1 4.48Å; W285-L315 HydrophobicContact CB-CB 4.49Å; W285-L315 HydrophobicContact CB-CD1 4.27Å; V288-L315 HydrophobicContact CG1-CB 4.13Å; C311-L315 WeakPolarHBondContact O-CG 3.39Å; C311-L315 PolarHBondContact O-N 3.11Å; C312-L315 WeakPolarHBondContact O-CB 3.43Å; C312-L315 PolarHBondContact O-N 3.1Å; C312-L315 VanDerWaalsContact O-N 3.13Å; C313-L315 VanDerWaalsContact C-N 3.27Å; C313-L315 PolarHBondContact O-N 3.09Å; L315-F428 HydrophobicContact CB-CD1 4.5Å; L315-F428 HydrophobicContact CB-CG 4.48Å; L315-F428 HydrophobicContact CD2-CD1 4.29Å; L315-F428 HydrophobicContact CD2-CD2 3.52Å; L315-F428 HydrophobicContact CD2-CE1 4.33Å; L315-F428 HydrophobicContact CD2-CE2 3.59Å; L315-F428 HydrophobicContact CD2-CG 3.9Å; L315-F428 HydrophobicContact CD2-CZ 4Å; L315-N432 PolarHBondContact O-ND2 3.01Å
316A87.8Confident80.5Confident8 Ų827.6 Ų27.67%0.06620%0.197CC..THydrogen-bonded Turntrans-84.4-4.6178.500000114.5V288 C313 C314 A318 L330V288-A316 HydrophobicContact CG1-CB 3.52Å; C313-A316 WeakPolarHBondContact O-CB 3.3Å; C313-A316 PolarHBondContact O-N 3.37Å; C313-A316 VanDerWaalsContact O-N 3.09Å; C314-A316 PolarHBondContact O-N 2.94Å; A316-A318 PolarHBondContact O-N 2.88Å; A316-L330 HydrophobicContact CB-CD2 3.8Å
317N80.8Confident79.4Confident23 Ų2328.3 Ų28.312%0.12320%0.201CC..  trans-63.4132.4-169.6-75.3-14.4000111.5C314 M429 N432C314-N317 WeakPolarHBondContact O-CB 3.35Å; C314-N317 PolarHBondContact O-N 3.45Å; C314-N317 PolarHBondContact O-ND2 3.34Å; N317-M429 WeakPolarHBondContact O-CA 3.42Å; N317-N432 WeakPolarHBondContact O-CB 3.13Å; N317-N432 PolarHBondContact O-ND2 3.44Å
318A80.3Confident78.4Confident18 Ų1831.2 Ų31.215%0.14922%0.22CC..  trans-143.2138.3175.600000109.4N254 A316 N432 N433 F436N254-A318 PolarHBondContact ND2-O 3.34Å; N254-A318 PolarHBondContact OD1-O 3.44Å; A316-A318 PolarHBondContact O-N 2.88Å; A318-N432 HydrophobicContact CB-CB 4.1Å; A318-N433 WeakPolarHBondContact CA-OD1 3.36Å; A318-F436 HydrophobicContact CB-CD2 4.07Å; A318-F436 HydrophobicContact CB-CE2 4.18Å
319S74.6Confident77.4Confident55 Ų5530.8 Ų30.839%0.38522%0.22SC..  trans-10310.2-172.574.70000114.8N254 N433N254-S319 VanDerWaalsContact OD1-CA 3.24Å; N254-S319 WeakPolarHBondContact OD1-CA 3.17Å; N254-S319 WeakPolarHBondContact OD1-CB 3.46Å; S319-N433 PolarHBondContact N-OD1 2.8Å; S319-N433 PolarHBondContact OG-ND2 3.08Å
320I70Confident76.6Confident40 Ų4031.6 Ų31.621%0.20522%0.224CC..  trans-84.3124.5179.4-46.1-171.5000110.1I323 N433 F436 Q437I320-I323 HydrophobicContact CB-CD1 3.51Å; I320-I323 HydrophobicContact CD1-CD1 3.99Å; I320-I323 HydrophobicContact CG1-CD1 4.26Å; I320-I323 HydrophobicContact CG2-CD1 3.46Å; I320-I323 VanDerWaalsContact CG2-CD1 3.46Å; I320-N433 HydrophobicContact CD1-CB 4.45Å; I320-N433 WeakPolarHBondContact CD1-O 3.44Å; I320-N433 HydrophobicContact CG1-CB 4.43Å; I320-F436 HydrophobicContact CD1-CB 3.92Å; I320-Q437 HydrophobicContact CD1-CB 3.9Å
321P64.8Low76Confident115 Ų11535 Ų3575%0.74724%0.237SC*.THydrogen-bonded Turntrans-61.1137.3177.7-23.334.2000112.9I323P321-I323 VanDerWaalsContact C-N 3.35Å; P321-I323 PolarHBondContact O-N 3.39Å
322G64.7Low76Confident62 Ų6235.2 Ų35.264%0.63924%0.239SC*.THydrogen-bonded Turntrans90.5-27.6172.900000115.6G325G322-G325 PolarHBondContact O-N 2.86Å
323I65.9Low76Confident24 Ų2435.5 Ų35.512%0.12324%0.24CC..THydrogen-bonded Turntrans-63.9134.9174.2-83.7136.9000110.8V250 I320 P321 G325 F436 Y476V250-I323 WeakPolarHBondContact CG1-O 3.17Å; I320-I323 HydrophobicContact CB-CD1 3.51Å; I320-I323 HydrophobicContact CD1-CD1 3.99Å; I320-I323 HydrophobicContact CG1-CD1 4.26Å; I320-I323 HydrophobicContact CG2-CD1 3.46Å; I320-I323 VanDerWaalsContact CG2-CD1 3.46Å; P321-I323 VanDerWaalsContact C-N 3.35Å; P321-I323 PolarHBondContact O-N 3.39Å; I323-G325 VanDerWaalsContact C-N 3.27Å; I323-G325 PolarHBondContact O-N 3.02Å; I323-F436 HydrophobicContact CD1-CB 3.66Å; I323-F436 HydrophobicContact CD1-CG 4.32Å; I323-F436 HydrophobicContact CG1-CB 4.29Å; I323-F436 HydrophobicContact CG1-CG 4.49Å; I323-F436 HydrophobicContact CG2-CB 4.44Å; I323-F436 HydrophobicContact CG2-CD1 3.98Å; I323-F436 HydrophobicContact CG2-CD2 3.96Å; I323-F436 HydrophobicContact CG2-CE1 4.2Å; I323-F436 HydrophobicContact CG2-CE2 4.18Å; I323-F436 HydrophobicContact CG2-CG 3.88Å; I323-F436 HydrophobicContact CG2-CZ 4.31Å; I323-Y476 HydrophobicContact CG2-CD1 4.08Å; I323-Y476 HydrophobicContact CG2-CE1 3.85Å
324G60.8Low76.3Confident9 Ų935.3 Ų35.39%0.09324%0.238CC..THydrogen-bonded Turntrans77.72.1-177.400000115S326 V327G324-S326 PolarHBondContact O-N 3.48Å; G324-V327 PolarHBondContact O-N 2.91Å; G324-V327 VanDerWaalsContact O-N 3.12Å
325G62.6Low76.8Confident63 Ų6335.3 Ų35.365%0.64924%0.238SC*.THydrogen-bonded Turntrans-66.2-24.2177.500000114.4G322 I323G322-G325 PolarHBondContact O-N 2.86Å; I323-G325 VanDerWaalsContact C-N 3.27Å; I323-G325 PolarHBondContact O-N 3.02Å
326S62.4Low77.1Confident100 Ų10035.3 Ų35.370%0.69924%0.238SC*.THydrogen-bonded Turntrans-91.2-10.3172.846.20000113.7G324G324-S326 PolarHBondContact O-N 3.48Å
327V71.3Confident77.4Confident14 Ų1435.2 Ų35.29%0.08524%0.237CC..SBendtrans-106.2141-164.9-170.80000109.9R291 G324 E329 V475 Y476R291-V327 HydrophobicContact CG-CG1 3.77Å; G324-V327 PolarHBondContact O-N 2.91Å; G324-V327 VanDerWaalsContact O-N 3.12Å; V327-E329 PolarHBondContact O-N 2.9Å; V327-V475 HydrophobicContact CG1-CG1 3.75Å; V327-V475 VanDerWaalsContact CG2-O 3.3Å; V327-V475 WeakPolarHBondContact CG2-O 3.27Å; V327-Y476 HydrophobicContact CG2-CD1 3.86Å; V327-Y476 HydrophobicContact CG2-CE1 4.22Å; V327-Y476 HydrophobicContact CG2-CG 4.06Å
328P69.7Low78.1Confident64 Ų6438.1 Ų38.142%0.41625%0.251SS..  trans-51.2131.8172.3-28.936.5000112.6R291 L330 F348R291-P328 PolarHBondContact NH1-O 3.3Å; P328-L330 PolarHBondContact O-N 3.47Å; P328-F348 HydrophobicContact CG-CB 4.26Å
329E71.8Confident78.7Confident31 Ų3140.6 Ų40.615%0.14527%0.271CS..  trans-61.4130172.9179.7179.7-139.100110.4I253 V327 R331I253-E329 HydrophobicContact CD1-CG 4.2Å; V327-E329 PolarHBondContact O-N 2.9Å; E329-R331 HydrophobicContact CB-CG 4.3Å; E329-R331 HydrophobicContact CG-CG 3.94Å; E329-R331 PolarHBondContact O-N 2.96Å; E329-R331 IonicContact OE2-CZ 3.06Å; E329-R331 IonicContact OE2-NE 2.66Å; E329-R331 PolarHBondContact OE2-NE 3.48Å; E329-R331 IonicContact OE2-NH2 2.69Å; E329-R331 PolarHBondContact OE2-NH2 3.2Å
330L78.6Confident79.6Confident17 Ų1739 Ų399%0.08926%0.258CS..  trans-7597.8174.4-174.569000109V288 A316 P328 S349 V351V288-L330 HydrophobicContact CG1-CD2 3.73Å; A316-L330 HydrophobicContact CB-CD2 3.8Å; P328-L330 PolarHBondContact O-N 3.47Å; L330-S349 WeakPolarHBondContact CD1-OG 2.93Å; L330-V351 HydrophobicContact CD1-CG2 3.77Å; L330-V351 HydrophobicContact CD2-CG2 4.16Å; L330-V351 HydrophobicContact CG-CG2 4.04Å
331R78.1Confident80.8Confident86 Ų8638.1 Ų38.133%0.32525%0.254SS..EExtended strand (participates in β ladder)trans-92.9133-174.6-69.9173.6-176.4141.85.6111.7E329 F333 E347 V351E329-R331 HydrophobicContact CB-CG 4.3Å; E329-R331 HydrophobicContact CG-CG 3.94Å; E329-R331 PolarHBondContact O-N 2.96Å; E329-R331 IonicContact OE2-CZ 3.06Å; E329-R331 IonicContact OE2-NE 2.66Å; E329-R331 PolarHBondContact OE2-NE 3.48Å; E329-R331 IonicContact OE2-NH2 2.69Å; E329-R331 PolarHBondContact OE2-NH2 3.2Å; R331-F333 HydrophobicContact CB-CD1 4.07Å; R331-F333 HydrophobicContact CB-CE1 3.92Å; R331-F333 PolarHBondContact O-N 2.98Å; R331-E347 IonicContact NH1-OE2 3.12Å; R331-V351 PolarHBondContact O-N 2.6Å; R331-V351 VanDerWaalsContact O-N 3.09Å
332P90.4Very high82.1Confident5 Ų536.3 Ų36.33%0.03224%0.244CC..EExtended strand (participates in β ladder)trans-73.5111.4165.730.1-31.5000108.8Y196 V309 F334Y196-P332 HydrophobicContact CD1-CG 4.22Å; Y196-P332 HydrophobicContact CE1-CG 3.66Å; V309-P332 HydrophobicContact CG1-CB 3.98Å; P332-F334 VanDerWaalsContact C-N 3.3Å; P332-F334 HydrophobicContact CB-CD1 4.36Å; P332-F334 HydrophobicContact CB-CD2 4.14Å; P332-F334 HydrophobicContact CB-CE1 4Å; P332-F334 HydrophobicContact CB-CE2 3.76Å; P332-F334 HydrophobicContact CB-CG 4.44Å; P332-F334 HydrophobicContact CB-CZ 3.69Å; P332-F334 HydrophobicContact CG-CE2 3.9Å; P332-F334 HydrophobicContact CG-CZ 3.94Å
333F93.6Very high83.4Confident6 Ų636.1 Ų36.13%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-82.6-18.8171.4-83.847.6000111.3R161 R331 I336 T343 L344 E347 Y350 V351 A352R161-F333 PolarHBondContact N-O 3.21Å; R331-F333 HydrophobicContact CB-CD1 4.07Å; R331-F333 HydrophobicContact CB-CE1 3.92Å; R331-F333 PolarHBondContact O-N 2.98Å; F333-I336 HydrophobicContact CB-CG2 4.13Å; F333-I336 HydrophobicContact CD2-CG2 4.37Å; F333-T343 HydrophobicContact CE2-CG2 4.27Å; F333-L344 HydrophobicContact CD2-CD2 4.02Å; F333-L344 HydrophobicContact CE2-CD2 4.06Å; F333-E347 HydrophobicContact CE2-CB 4.49Å; F333-E347 HydrophobicContact CE2-CG 4.19Å; F333-E347 HydrophobicContact CZ-CB 3.89Å; F333-E347 HydrophobicContact CZ-CG 3.64Å; F333-E347 WeakPolarHBondContact CZ-OE1 3.44Å; F333-Y350 HydrophobicContact CD1-CG 4.47Å; F333-Y350 VanDerWaalsContact CE1-CB 3.44Å; F333-Y350 HydrophobicContact CE1-CG 4.44Å; F333-V351 PolarHBondContact N-O 2.76Å; F333-A352 HydrophobicContact CB-CB 3.9Å
334F95.8Very high84.7Confident0 Ų035 Ų350%023%0.225CC..EExtended strand (participates in β ladder)trans54.9-133.3-173-54.8-78.2000110.5Y159 F166 Y196 M261 C306 V309 P332 A352 C353Y159-F334 VanDerWaalsContact C-CB 3.44Å; Y159-F334 HydrophobicContact CD1-CE2 4.49Å; Y159-F334 HydrophobicContact CD1-CZ 4.37Å; Y159-F334 HydrophobicContact CG-CD1 4.39Å; Y159-F334 HydrophobicContact CG-CE1 4.45Å; Y159-F334 WeakPolarHBondContact O-CB 3.08Å; F166-F334 HydrophobicContact CD1-CD2 4.28Å; F166-F334 AromaticContact CD1-CE2 3.98Å; F166-F334 HydrophobicContact CD1-CE2 3.98Å; F166-F334 HydrophobicContact CE1-CE2 4.32Å; Y196-F334 HydrophobicContact CD1-CE2 4.24Å; Y196-F334 HydrophobicContact CD2-CE2 4.28Å; Y196-F334 AromaticContact CD2-CZ 3.82Å; Y196-F334 HydrophobicContact CD2-CZ 3.82Å; Y196-F334 HydrophobicContact CE2-CZ 4.32Å; Y196-F334 AromaticContact CG-CE2 3.91Å; Y196-F334 HydrophobicContact CG-CE2 3.91Å; Y196-F334 AromaticContact CG-CZ 3.94Å; Y196-F334 HydrophobicContact CG-CZ 3.94Å; M261-F334 HydrophobicContact CE-CE1 4.34Å; C306-F334 HydrophobicContact CB-CB 4.42Å; C306-F334 HydrophobicContact CB-CD1 3.96Å; C306-F334 WeakPolarHBondContact O-CD1 3.24Å; V309-F334 HydrophobicContact CB-CD1 4.42Å; V309-F334 HydrophobicContact CG1-CD1 4.16Å; P332-F334 VanDerWaalsContact C-N 3.3Å; P332-F334 HydrophobicContact CB-CD1 4.36Å; P332-F334 HydrophobicContact CB-CD2 4.14Å; P332-F334 HydrophobicContact CB-CE1 4Å; P332-F334 HydrophobicContact CB-CE2 3.76Å; P332-F334 HydrophobicContact CB-CG 4.44Å; P332-F334 HydrophobicContact CB-CZ 3.69Å; P332-F334 HydrophobicContact CG-CE2 3.9Å; P332-F334 HydrophobicContact CG-CZ 3.94Å; F334-A352 CarbonylContact O-C 3.58Å; F334-A352 WeakPolarHBondContact O-CA 3.46Å; F334-C353 PolarHBondContact O-N 2.89Å
335Y97.8Very high86.3Confident1 Ų140.8 Ų40.80%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-71.5129.6-177.6-177.5-111000113.1A147 I158 Y159 I302 C353 T355A147-Y335 WeakPolarHBondContact CA-OH 3.41Å; A147-Y335 HydrophobicContact CB-CE1 3.93Å; A147-Y335 HydrophobicContact CB-CE2 3.97Å; A147-Y335 VanDerWaalsContact CB-CZ 3.5Å; A147-Y335 WeakPolarHBondContact CB-OH 3.41Å; I158-Y335 VanDerWaalsContact CG2-CB 3.5Å; I158-Y335 HydrophobicContact CG2-CD1 3.92Å; I158-Y335 HydrophobicContact CG2-CG 3.86Å; Y159-Y335 VanDerWaalsContact O-CB 3.31Å; Y159-Y335 WeakPolarHBondContact O-CB 3.43Å; Y159-Y335 PolarHBondContact O-N 3.04Å; I302-Y335 HydrophobicContact CG1-CD2 4.4Å; I302-Y335 HydrophobicContact CG1-CE2 4.45Å; I302-Y335 HydrophobicContact CG2-CD2 3.72Å; I302-Y335 HydrophobicContact CG2-CG 4.07Å; Y335-C353 WeakPolarHBondContact CA-O 3.41Å; Y335-T355 HydrophobicContact CE2-CG2 4.01Å; Y335-T355 PolarHBondContact OH-OG1 2.73Å; Y335-T355 VanDerWaalsContact OH-OG1 3.11Å
336I97.1Very high87.7Confident1 Ų142.4 Ų42.41%0.00525%0.247CC..  trans-127.3154.5175.360.8156.2000111.8L295 F333 D340 L344 A352 C353 T354 F359L295-I336 HydrophobicContact CD1-CD1 3.75Å; L295-I336 HydrophobicContact CD1-CG1 4.18Å; L295-I336 HydrophobicContact CD2-CD1 4.48Å; F333-I336 HydrophobicContact CB-CG2 4.13Å; F333-I336 HydrophobicContact CD2-CG2 4.37Å; I336-D340 VanDerWaalsContact CA-OD2 3.24Å; I336-D340 WeakPolarHBondContact CA-OD2 3.03Å; I336-D340 HydrophobicContact CB-CB 4.2Å; I336-D340 HydrophobicContact CG2-CB 4.39Å; I336-L344 HydrophobicContact CD1-CD1 3.44Å; I336-L344 VanDerWaalsContact CD1-CD1 3.44Å; I336-L344 HydrophobicContact CD1-CD2 4.03Å; I336-L344 HydrophobicContact CD1-CG 4.37Å; I336-A352 HydrophobicContact CD1-CB 3.93Å; I336-A352 HydrophobicContact CG1-CB 3.93Å; I336-A352 HydrophobicContact CG2-CB 4.05Å; I336-C353 WeakPolarHBondContact CG1-O 3.44Å; I336-C353 PolarHBondContact N-O 2.8Å; I336-T354 WeakPolarHBondContact O-CB 3.39Å; I336-T354 PolarHBondContact O-OG1 3.01Å; I336-F359 HydrophobicContact CD1-CE1 4.27Å; I336-F359 HydrophobicContact CD1-CZ 4.21Å
337N95.3Very high89.1Confident6 Ų639.3 Ų39.33%0.03222%0.221CC..  trans-137.3-178.4175.765.536000111.6F143 A339 D340 E356F143-N337 WeakPolarHBondContact CB-ND2 3.39Å; F143-N337 PolarHBondContact O-ND2 2.93Å; N337-A339 PolarHBondContact O-N 2.72Å; N337-A339 VanDerWaalsContact O-N 3.07Å; N337-A339 VanDerWaalsContact OD1-CB 3.24Å; N337-A339 WeakPolarHBondContact OD1-CB 3.34Å; N337-A339 PolarHBondContact OD1-N 3.04Å; N337-D340 PolarHBondContact N-OD2 2.64Å; N337-D340 WeakPolarHBondContact O-CB 2.83Å; N337-D340 PolarHBondContact O-N 3.14Å; N337-E356 VanDerWaalsContact C-OE2 3.31Å; N337-E356 WeakPolarHBondContact CA-OE2 3.32Å; N337-E356 WeakPolarHBondContact CB-OE2 3.48Å
338I94.6Very high89.9Confident84 Ų8446.7 Ų46.743%0.43125%0.253SS..G310 helixtrans-51.3-30.6179.5-74.1149.8000113.2D340 I341 E356 I358I338-D340 PolarHBondContact O-N 3.39Å; I338-I341 HydrophobicContact CB-CD1 4.34Å; I338-I341 HydrophobicContact CG1-CD1 4.48Å; I338-I341 HydrophobicContact CG2-CD1 4.07Å; I338-I341 WeakPolarHBondContact O-CD1 3.27Å; I338-I341 VanDerWaalsContact O-CG1 3.25Å; I338-I341 WeakPolarHBondContact O-CG1 3.47Å; I338-I341 PolarHBondContact O-N 2.79Å; I338-E356 VanDerWaalsContact CG1-OE2 3.27Å; I338-E356 WeakPolarHBondContact CG1-OE2 3.4Å; I338-E356 PolarHBondContact N-OE2 3.47Å; I338-I358 HydrophobicContact CD1-CG2 4.02Å; I338-I358 HydrophobicContact CG1-CG2 3.84Å
339A92.5Very high90.9Very high69 Ų6943.8 Ų43.857%0.5723%0.234SC*.G310 helixtrans-69.2-20.9178.200000112.9N337N337-A339 PolarHBondContact O-N 2.72Å; N337-A339 VanDerWaalsContact O-N 3.07Å; N337-A339 VanDerWaalsContact OD1-CB 3.24Å; N337-A339 WeakPolarHBondContact OD1-CB 3.34Å; N337-A339 PolarHBondContact OD1-N 3.04Å
340D93.9Very high92Very high21 Ų2142.3 Ų42.311%0.11223%0.227CC..G310 helixtrans-83.4-8.1178.6-63.2-59.8000113.9K144 I336 N337 I338 S342 T343 L344K144-D340 VanDerWaalsContact CE-OD1 3.27Å; K144-D340 WeakPolarHBondContact CE-OD1 2.92Å; K144-D340 IonicContact NZ-OD1 2.65Å; K144-D340 PolarHBondContact NZ-OD1 3.35Å; K144-D340 IonicContact NZ-OD2 3.35Å; K144-D340 PolarHBondContact NZ-OD2 3.48Å; I336-D340 VanDerWaalsContact CA-OD2 3.24Å; I336-D340 WeakPolarHBondContact CA-OD2 3.03Å; I336-D340 HydrophobicContact CB-CB 4.2Å; I336-D340 HydrophobicContact CG2-CB 4.39Å; N337-D340 PolarHBondContact N-OD2 2.64Å; N337-D340 WeakPolarHBondContact O-CB 2.83Å; N337-D340 PolarHBondContact O-N 3.14Å; I338-D340 PolarHBondContact O-N 3.39Å; D340-S342 VanDerWaalsContact C-N 3.29Å; D340-S342 PolarHBondContact O-N 3.05Å; D340-S342 VanDerWaalsContact O-N 3.17Å; D340-T343 WeakPolarHBondContact O-CA 3.17Å; D340-T343 WeakPolarHBondContact O-CB 3.45Å; D340-T343 PolarHBondContact O-N 3.44Å; D340-L344 HydrophobicContact CB-CD1 4.32Å; D340-L344 HydrophobicContact CB-CG 4.44Å; D340-L344 WeakPolarHBondContact O-CG 3.09Å; D340-L344 PolarHBondContact O-N 2.76Å
341I95Very high92.8Very high23 Ų2341.5 Ų41.512%0.11822%0.223CC..Hα-helixtrans-49.6-47.7-174-72.5172.2000112.3I338 T343 L344 E345 F359 K362 L365I338-I341 HydrophobicContact CB-CD1 4.34Å; I338-I341 HydrophobicContact CG1-CD1 4.48Å; I338-I341 HydrophobicContact CG2-CD1 4.07Å; I338-I341 WeakPolarHBondContact O-CD1 3.27Å; I338-I341 VanDerWaalsContact O-CG1 3.25Å; I338-I341 WeakPolarHBondContact O-CG1 3.47Å; I338-I341 PolarHBondContact O-N 2.79Å; I341-T343 PolarHBondContact O-N 2.87Å; I341-L344 PolarHBondContact O-N 2.9Å; I341-L344 VanDerWaalsContact O-N 3.14Å; I341-E345 WeakPolarHBondContact O-CG 3.45Å; I341-E345 PolarHBondContact O-N 3.07Å; I341-F359 HydrophobicContact CG1-CE1 4.04Å; I341-F359 HydrophobicContact CG1-CZ 4.02Å; I341-K362 HydrophobicContact CD1-CD 3.9Å; I341-L365 HydrophobicContact CB-CD1 4.46Å; I341-L365 HydrophobicContact CG1-CD1 3.95Å; I341-L365 HydrophobicContact CG2-CD1 4.06Å; I341-L365 HydrophobicContact CG2-CD2 4.12Å
342S93.3Very high93.7Very high77 Ų7737.4 Ų37.454%0.53821%0.207SC..Hα-helixtrans-63.3-25.5179.455.90000113.9D340D340-S342 VanDerWaalsContact C-N 3.29Å; D340-S342 PolarHBondContact O-N 3.05Å; D340-S342 VanDerWaalsContact O-N 3.17Å
343T91.8Very high94.1Very high57 Ų5737.2 Ų37.235%0.3521%0.206SC..Hα-helixtrans-78.2-44173.8-56.90000110.4F333 D340 I341 E345 T346 E347F333-T343 HydrophobicContact CE2-CG2 4.27Å; D340-T343 WeakPolarHBondContact O-CA 3.17Å; D340-T343 WeakPolarHBondContact O-CB 3.45Å; D340-T343 PolarHBondContact O-N 3.44Å; I341-T343 PolarHBondContact O-N 2.87Å; T343-E345 VanDerWaalsContact C-N 3.3Å; T343-E345 PolarHBondContact O-N 3.36Å; T343-T346 PolarHBondContact O-N 3.24Å; T343-T346 PolarHBondContact O-OG1 3.17Å; T343-E347 HydrophobicContact CG2-CG 4.29Å; T343-E347 WeakPolarHBondContact O-CG 3.28Å; T343-E347 PolarHBondContact O-N 2.87Å
344L93.1Very high94.3Very high1 Ų136.9 Ų36.91%0.00521%0.205CC..Hα-helixtrans-64.4-32.7-178.8-58166.6000112.7F333 I336 D340 I341 T346 E347 Y350 F359F333-L344 HydrophobicContact CD2-CD2 4.02Å; F333-L344 HydrophobicContact CE2-CD2 4.06Å; I336-L344 HydrophobicContact CD1-CD1 3.44Å; I336-L344 VanDerWaalsContact CD1-CD1 3.44Å; I336-L344 HydrophobicContact CD1-CD2 4.03Å; I336-L344 HydrophobicContact CD1-CG 4.37Å; D340-L344 HydrophobicContact CB-CD1 4.32Å; D340-L344 HydrophobicContact CB-CG 4.44Å; D340-L344 WeakPolarHBondContact O-CG 3.09Å; D340-L344 PolarHBondContact O-N 2.76Å; I341-L344 PolarHBondContact O-N 2.9Å; I341-L344 VanDerWaalsContact O-N 3.14Å; L344-T346 PolarHBondContact O-N 3.43Å; L344-E347 PolarHBondContact O-N 3.49Å; L344-Y350 HydrophobicContact CB-CE1 4.31Å; L344-Y350 HydrophobicContact CD2-CD1 4.21Å; L344-Y350 HydrophobicContact CD2-CE1 3.73Å; L344-Y350 HydrophobicContact CD2-CE2 4.16Å; L344-F359 HydrophobicContact CD1-CE1 3.78Å; L344-F359 HydrophobicContact CD1-CZ 4.22Å
345E93.4Very high94.3Very high131 Ų13137.7 Ų37.761%0.61221%0.209SC*.THydrogen-bonded Turntrans-61.5-22.7173-72.9173.617300113.2I341 T343 L365I341-E345 WeakPolarHBondContact O-CG 3.45Å; I341-E345 PolarHBondContact O-N 3.07Å; T343-E345 VanDerWaalsContact C-N 3.3Å; T343-E345 PolarHBondContact O-N 3.36Å; E345-L365 HydrophobicContact CG-CD2 3.4Å
346T91.9Very high94.2Very high97 Ų9739.4 Ų39.460%0.59522%0.217SC*.THydrogen-bonded Turntrans-103.7-11.6-176.765.40000114.9T343 L344T343-T346 PolarHBondContact O-N 3.24Å; T343-T346 PolarHBondContact O-OG1 3.17Å; L344-T346 PolarHBondContact O-N 3.43Å
347E91.4Very high94Very high34 Ų3445 Ų4516%0.15924%0.242CC..  trans-100.9119.2-171.3-72.2-95.4-142.600110.4R161 R293 R331 F333 T343 L344 S349 Y350R161-E347 IonicContact CZ-OE1 2.75Å; R161-E347 IonicContact NH1-OE1 3.82Å; R161-E347 PolarHBondContact NH1-OE1 3Å; R161-E347 IonicContact NH2-OE1 2.7Å; R161-E347 PolarHBondContact NH2-OE1 3.3Å; R293-E347 VanDerWaalsContact CD-O 3.22Å; R293-E347 WeakPolarHBondContact CD-O 3.25Å; R331-E347 IonicContact NH1-OE2 3.12Å; F333-E347 HydrophobicContact CE2-CB 4.49Å; F333-E347 HydrophobicContact CE2-CG 4.19Å; F333-E347 HydrophobicContact CZ-CB 3.89Å; F333-E347 HydrophobicContact CZ-CG 3.64Å; F333-E347 WeakPolarHBondContact CZ-OE1 3.44Å; T343-E347 HydrophobicContact CG2-CG 4.29Å; T343-E347 WeakPolarHBondContact O-CG 3.28Å; T343-E347 PolarHBondContact O-N 2.87Å; L344-E347 PolarHBondContact O-N 3.49Å; E347-S349 PolarHBondContact O-N 3.23Å; E347-Y350 HydrophobicContact CB-CD1 4.39Å
348F88.6Confident94Very high170 Ų17048.4 Ų48.475%0.74626%0.259SS*.SBendtrans-75.1-21.6-173.5-64.3-83.2000114.3P328P328-F348 HydrophobicContact CG-CB 4.26Å
349S91.8Very high94.1Very high3 Ų344.4 Ų44.42%0.02124%0.239CC..SBendtrans-150.3127-176.4-169.50000110.7R291 L330 E347R291-S349 WeakPolarHBondContact CB-OG 3.47Å; R291-S349 WeakPolarHBondContact O-CA 3.16Å; R291-S349 WeakPolarHBondContact O-CB 3.45Å; R291-S349 PolarHBondContact O-OG 2.84Å; L330-S349 WeakPolarHBondContact CD1-OG 2.93Å; E347-S349 PolarHBondContact O-N 3.23Å
350Y93.9Very high94.3Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-161.1159.3174.966.5-104.8000111.6R293 L294 F333 L344 E347 A352 L365R293-Y350 HydrophobicContact CB-CD1 4.02Å; R293-Y350 HydrophobicContact CB-CE1 3.68Å; R293-Y350 HydrophobicContact CB-CE2 4.37Å; R293-Y350 HydrophobicContact CG-CD1 3.85Å; R293-Y350 HydrophobicContact CG-CE1 3.77Å; L294-Y350 PolarHBondContact N-O 3.42Å; L294-Y350 WeakPolarHBondContact O-CE2 3.45Å; F333-Y350 HydrophobicContact CD1-CG 4.47Å; F333-Y350 VanDerWaalsContact CE1-CB 3.44Å; F333-Y350 HydrophobicContact CE1-CG 4.44Å; L344-Y350 HydrophobicContact CB-CE1 4.31Å; L344-Y350 HydrophobicContact CD2-CD1 4.21Å; L344-Y350 HydrophobicContact CD2-CE1 3.73Å; L344-Y350 HydrophobicContact CD2-CE2 4.16Å; E347-Y350 HydrophobicContact CB-CD1 4.39Å; Y350-A352 HydrophobicContact CD2-CB 3.72Å; Y350-A352 HydrophobicContact CE2-CB 3.83Å; Y350-L365 PolarHBondContact OH-O 2.94Å
351V95.9Very high94.4Very high0 Ų048.5 Ų48.50%025%0.25CC..EExtended strand (participates in β ladder)trans-120.1128.3158.6-168.20000108.5L294 V309 C312 L330 R331 F333L294-V351 HydrophobicContact CB-CB 4.47Å; L294-V351 HydrophobicContact CB-CG1 4.03Å; L294-V351 HydrophobicContact CB-CG2 4.33Å; L294-V351 HydrophobicContact CD2-CG2 4.42Å; V309-V351 HydrophobicContact CB-CG1 4.23Å; V309-V351 HydrophobicContact CG1-CB 3.98Å; V309-V351 HydrophobicContact CG1-CG1 3.92Å; V309-V351 WeakPolarHBondContact CG1-O 3.45Å; V309-V351 HydrophobicContact CG2-CG1 4.17Å; C312-V351 HydrophobicContact CB-CG1 3.84Å; C312-V351 HydrophobicContact CB-CG2 4.24Å; L330-V351 HydrophobicContact CD1-CG2 3.77Å; L330-V351 HydrophobicContact CD2-CG2 4.16Å; L330-V351 HydrophobicContact CG-CG2 4.04Å; R331-V351 PolarHBondContact O-N 2.6Å; R331-V351 VanDerWaalsContact O-N 3.09Å; F333-V351 PolarHBondContact N-O 2.76Å
352A97.4Very high94.4Very high0 Ų051.1 Ų51.10%026%0.26CS..EExtended strand (participates in β ladder)trans-141.4164.2-175.900000112L294 L295 I296 F333 F334 I336 Y350L294-A352 PolarHBondContact O-N 3.42Å; L295-A352 HydrophobicContact CD1-CB 4.25Å; I296-A352 PolarHBondContact N-O 2.87Å; F333-A352 HydrophobicContact CB-CB 3.9Å; F334-A352 CarbonylContact O-C 3.58Å; F334-A352 WeakPolarHBondContact O-CA 3.46Å; I336-A352 HydrophobicContact CD1-CB 3.93Å; I336-A352 HydrophobicContact CG1-CB 3.93Å; I336-A352 HydrophobicContact CG2-CB 4.05Å; Y350-A352 HydrophobicContact CD2-CB 3.72Å; Y350-A352 HydrophobicContact CE2-CB 3.83Å
353C97.6Very high94.5Very high0 Ų052.2 Ų52.20%026%0.255CS..EExtended strand (participates in β ladder)trans-132.1154.8171.263.20000112.7I296 V305 V309 F334 Y335 I336I296-C353 HydrophobicContact CB-CB 4.12Å; I296-C353 CarbonylContact O-C 3.6Å; I296-C353 WeakPolarHBondContact O-CA 3.04Å; I296-C353 WeakPolarHBondContact O-CB 3.46Å; V305-C353 HydrophobicContact CB-CB 4.33Å; V305-C353 HydrophobicContact CG1-CB 3.54Å; V309-C353 HydrophobicContact CG2-CB 3.87Å; F334-C353 PolarHBondContact O-N 2.89Å; Y335-C353 WeakPolarHBondContact CA-O 3.41Å; I336-C353 WeakPolarHBondContact CG1-O 3.44Å; I336-C353 PolarHBondContact N-O 2.8Å
354T97.7Very high94.6Very high0 Ų055.3 Ų55.30%027%0.266CS..EExtended strand (participates in β ladder)trans-149.9155.2-179.7-165.80000112.7L295 I296 F297 S298 I336 E356 F359L295-T354 HydrophobicContact CD1-CG2 3.87Å; L295-T354 HydrophobicContact CD2-CG2 4.38Å; L295-T354 HydrophobicContact CG-CG2 4.32Å; I296-T354 PolarHBondContact O-N 3.14Å; F297-T354 WeakPolarHBondContact CA-O 3.44Å; S298-T354 PolarHBondContact N-O 3.37Å; I336-T354 WeakPolarHBondContact O-CB 3.39Å; I336-T354 PolarHBondContact O-OG1 3.01Å; T354-E356 PolarHBondContact OG1-N 2.74Å; T354-F359 HydrophobicContact CG2-CB 4.31Å; T354-F359 HydrophobicContact CG2-CD2 3.76Å; T354-F359 HydrophobicContact CG2-CE2 4.43Å; T354-F359 HydrophobicContact CG2-CG 4.23Å
355T96.9Very high94.8Very high16 Ų1655.6 Ų55.610%0.09827%0.267CS..SBendtrans-95.1-4170.154.50000112.9A147 S148 F297 S298 P300 I302 Y335A147-T355 HydrophobicContact CB-CG2 4.15Å; S148-T355 WeakPolarHBondContact O-CB 3.49Å; S148-T355 WeakPolarHBondContact O-CG2 3.48Å; S148-T355 PolarHBondContact O-OG1 2.97Å; F297-T355 WeakPolarHBondContact CE2-O 3.42Å; S298-T355 WeakPolarHBondContact O-CA 3.44Å; S298-T355 WeakPolarHBondContact O-CG2 3.36Å; P300-T355 HydrophobicContact CG-CG2 3.77Å; I302-T355 HydrophobicContact CD1-CG2 3.53Å; I302-T355 HydrophobicContact CG1-CG2 3.56Å; Y335-T355 HydrophobicContact CE2-CG2 4.01Å; Y335-T355 PolarHBondContact OH-OG1 2.73Å; Y335-T355 VanDerWaalsContact OH-OG1 3.11Å
356E95.1Very high94.9Very high37 Ų3749.9 Ų49.917%0.17324%0.24CC..  trans-102103-165.2-61.6179.7150.600111.2N337 I338 T354 I358 F359N337-E356 VanDerWaalsContact C-OE2 3.31Å; N337-E356 WeakPolarHBondContact CA-OE2 3.32Å; N337-E356 WeakPolarHBondContact CB-OE2 3.48Å; I338-E356 VanDerWaalsContact CG1-OE2 3.27Å; I338-E356 WeakPolarHBondContact CG1-OE2 3.4Å; I338-E356 PolarHBondContact N-OE2 3.47Å; T354-E356 PolarHBondContact OG1-N 2.74Å; E356-I358 HydrophobicContact CB-CG2 4.09Å; E356-I358 PolarHBondContact O-N 2.82Å; E356-F359 HydrophobicContact CB-CD2 4.09Å; E356-F359 HydrophobicContact CB-CE2 4.28Å; E356-F359 WeakPolarHBondContact O-CD2 3.49Å; E356-F359 PolarHBondContact O-N 3.1Å; E356-F359 VanDerWaalsContact O-N 3.11Å
357K94.1Very high95.2Very high120 Ų12046.2 Ų46.252%0.52222%0.217SC..G310 helixtrans-62-15.8-174.9-165.3164-175.3169.30114.5F297 F359 E360F297-K357 HydrophobicContact CE2-CB 3.85Å; F297-K357 HydrophobicContact CE2-CG 4.41Å; F297-K357 HydrophobicContact CZ-CB 4.16Å; F297-K357 HydrophobicContact CZ-CD 4.41Å; F297-K357 HydrophobicContact CZ-CG 4.44Å; K357-F359 PolarHBondContact O-N 3.17Å; K357-E360 WeakPolarHBondContact CE-OE2 3.11Å; K357-E360 IonicContact NZ-OE2 3.68Å; K357-E360 WeakPolarHBondContact O-CB 3.27Å; K357-E360 PolarHBondContact O-N 3.33Å
358I95.2Very high95.5Very high76 Ų7644.6 Ų44.639%0.3921%0.209SC..G310 helixtrans-54.2-24.5171.8-164172.6000113.3I338 E356 E360 D361 K362I338-I358 HydrophobicContact CD1-CG2 4.02Å; I338-I358 HydrophobicContact CG1-CG2 3.84Å; E356-I358 HydrophobicContact CB-CG2 4.09Å; E356-I358 PolarHBondContact O-N 2.82Å; I358-E360 VanDerWaalsContact C-N 3.29Å; I358-E360 PolarHBondContact O-N 3.03Å; I358-D361 PolarHBondContact O-N 3.39Å; I358-K362 HydrophobicContact CG1-CD 4.32Å; I358-K362 PolarHBondContact O-N 3.37Å
359F96.3Very high95.9Very high0 Ų036.6 Ų36.60%017%0.174CC..G310 helixtrans-65.9-28.6174.9-78.7-82.5000112.7L295 I336 I341 L344 T354 E356 K357 D361 K362 L365 Y366 Y369L295-F359 HydrophobicContact CD2-CB 3.64Å; L295-F359 HydrophobicContact CD2-CD1 3.66Å; L295-F359 HydrophobicContact CD2-CE1 4.5Å; L295-F359 HydrophobicContact CD2-CG 3.75Å; I336-F359 HydrophobicContact CD1-CE1 4.27Å; I336-F359 HydrophobicContact CD1-CZ 4.21Å; I341-F359 HydrophobicContact CG1-CE1 4.04Å; I341-F359 HydrophobicContact CG1-CZ 4.02Å; L344-F359 HydrophobicContact CD1-CE1 3.78Å; L344-F359 HydrophobicContact CD1-CZ 4.22Å; T354-F359 HydrophobicContact CG2-CB 4.31Å; T354-F359 HydrophobicContact CG2-CD2 3.76Å; T354-F359 HydrophobicContact CG2-CE2 4.43Å; T354-F359 HydrophobicContact CG2-CG 4.23Å; E356-F359 HydrophobicContact CB-CD2 4.09Å; E356-F359 HydrophobicContact CB-CE2 4.28Å; E356-F359 WeakPolarHBondContact O-CD2 3.49Å; E356-F359 PolarHBondContact O-N 3.1Å; E356-F359 VanDerWaalsContact O-N 3.11Å; K357-F359 PolarHBondContact O-N 3.17Å; F359-D361 PolarHBondContact O-N 3.12Å; F359-K362 PolarHBondContact O-N 3.49Å; F359-L365 HydrophobicContact CD1-CD1 3.85Å; F359-L365 HydrophobicContact CE1-CD1 3.66Å; F359-Y366 VanDerWaalsContact O-CE1 3.27Å; F359-Y366 WeakPolarHBondContact O-CE1 3.21Å; F359-Y369 HydrophobicContact CB-CE2 4.41Å
360E95.8Very high96.2Very high49 Ų4936.5 Ų36.523%0.22917%0.173CC..G310 helixtrans-59.4-31.9178.5-167.2162.9-151.900112.7K357 I358 Y366 Y369 K376K357-E360 WeakPolarHBondContact CE-OE2 3.11Å; K357-E360 IonicContact NZ-OE2 3.68Å; K357-E360 WeakPolarHBondContact O-CB 3.27Å; K357-E360 PolarHBondContact O-N 3.33Å; I358-E360 VanDerWaalsContact C-N 3.29Å; I358-E360 PolarHBondContact O-N 3.03Å; E360-Y366 PolarHBondContact O-OH 2.93Å; E360-Y369 HydrophobicContact CB-CE1 4.04Å; E360-Y369 HydrophobicContact CB-CE2 4.37Å; E360-Y369 HydrophobicContact CG-CD1 4.42Å; E360-Y369 HydrophobicContact CG-CE1 3.82Å; E360-K376 IonicContact OE1-NZ 2.75Å; E360-K376 PolarHBondContact OE1-NZ 3.42Å
361D95.6Very high96.3Very high128 Ų12838.3 Ų38.368%0.68418%0.183SC*.THydrogen-bonded Turntrans-83.3-28.6176-67.1-46.2000113.1I358 F359 K363I358-D361 PolarHBondContact O-N 3.39Å; F359-D361 PolarHBondContact O-N 3.12Å; D361-K363 PolarHBondContact O-N 2.8Å
362K95.7Very high96Very high77 Ų7742.9 Ų42.934%0.33521%0.207SC..  trans-82.556-176.4-71.3174.9165.9-73.60112.4I341 I358 F359 E364 L365I341-K362 HydrophobicContact CD1-CD 3.9Å; I358-K362 HydrophobicContact CG1-CD 4.32Å; I358-K362 PolarHBondContact O-N 3.37Å; F359-K362 PolarHBondContact O-N 3.49Å; K362-E364 VanDerWaalsContact C-N 3.27Å; K362-E364 PolarHBondContact O-N 3.08Å; K362-E364 VanDerWaalsContact O-N 3.11Å; K362-L365 HydrophobicContact CB-CD1 3.76Å; K362-L365 HydrophobicContact CB-CG 4.15Å; K362-L365 HydrophobicContact CD-CD1 4.02Å; K362-L365 HydrophobicContact CG-CD1 4.45Å; K362-L365 WeakPolarHBondContact O-CB 3.42Å; K362-L365 PolarHBondContact O-N 2.79Å; K362-L365 VanDerWaalsContact O-N 3.13Å
363K94.9Very high95.7Very high101 Ų10147.4 Ų47.444%0.43923%0.228SC..G310 helixtrans-52.6-36-170.6-71.9165.2-172.21690114.8D361 L365 H378D361-K363 PolarHBondContact O-N 2.8Å; K363-L365 PolarHBondContact O-N 3.31Å; K363-H378 HydrophobicContact CD-CB 4.29Å; K363-H378 HydrophobicContact CG-CB 4.41Å; K363-H378 PolarHBondContact O-CE1 3.17Å
364E94.9Very high95.5Very high122 Ų12251.8 Ų51.857%0.5725%0.252SS*.G310 helixtrans-65.6-21-177.3-59.4-54.1148.500114.7R293 K362 Y366 R379R293-E364 PolarHBondContact NH1-O 3.24Å; R293-E364 PolarHBondContact NH2-O 3.03Å; K362-E364 VanDerWaalsContact C-N 3.27Å; K362-E364 PolarHBondContact O-N 3.08Å; K362-E364 VanDerWaalsContact O-N 3.11Å; E364-Y366 PolarHBondContact O-N 3.07Å; E364-R379 IonicContact OE1-NH1 2.75Å; E364-R379 IonicContact OE2-CZ 3.78Å; E364-R379 VanDerWaalsContact OE2-CZ 3.23Å; E364-R379 IonicContact OE2-NH1 3.34Å; E364-R379 PolarHBondContact OE2-NH1 3.09Å; E364-R379 IonicContact OE2-NH2 3.5Å; E364-R379 PolarHBondContact OE2-NH2 3.08Å
365L95.8Very high95.5Very high7 Ų752.7 Ų52.74%0.03726%0.258CS..G310 helixtrans-71.8-28.3-175.1-60.6-176.5000113.5R293 I341 E345 Y350 F359 K362 K363R293-L365 PolarHBondContact NH1-O 3.31Å; I341-L365 HydrophobicContact CB-CD1 4.46Å; I341-L365 HydrophobicContact CG1-CD1 3.95Å; I341-L365 HydrophobicContact CG2-CD1 4.06Å; I341-L365 HydrophobicContact CG2-CD2 4.12Å; E345-L365 HydrophobicContact CG-CD2 3.4Å; Y350-L365 PolarHBondContact OH-O 2.94Å; F359-L365 HydrophobicContact CD1-CD1 3.85Å; F359-L365 HydrophobicContact CE1-CD1 3.66Å; K362-L365 HydrophobicContact CB-CD1 3.76Å; K362-L365 HydrophobicContact CB-CG 4.15Å; K362-L365 HydrophobicContact CD-CD1 4.02Å; K362-L365 HydrophobicContact CG-CD1 4.45Å; K362-L365 WeakPolarHBondContact O-CB 3.42Å; K362-L365 PolarHBondContact O-N 2.79Å; K362-L365 VanDerWaalsContact O-N 3.13Å; K363-L365 PolarHBondContact O-N 3.31Å
366Y96.9Very high95.4Very high10 Ų1055.6 Ų55.64%0.03927%0.269CS..  trans-127.8172.2-17858.3-91.5000110.7R293 L295 F359 E360 E364 Y369 H378R293-Y366 PolarHBondContact NH2-O 2.84Å; L295-Y366 HydrophobicContact CB-CG 4.37Å; L295-Y366 HydrophobicContact CD2-CD1 4.1Å; F359-Y366 VanDerWaalsContact O-CE1 3.27Å; F359-Y366 WeakPolarHBondContact O-CE1 3.21Å; E360-Y366 PolarHBondContact O-OH 2.93Å; E364-Y366 PolarHBondContact O-N 3.07Å; Y366-Y369 HydrophobicContact CE1-CD2 4.23Å; Y366-Y369 VanDerWaalsContact CE2-CB 3.46Å; Y366-Y369 HydrophobicContact CE2-CG 4.37Å; Y366-H378 AromaticContact CE2-ND1 3.96Å; Y366-H378 PolarHBondContact O-CE1 3.09Å
367D97.1Very high95.5Very high20 Ų2054.6 Ų54.611%0.10727%0.265CS..SBendtrans-109.4-30.8170.3-56.1-53000111K292 R293 T377 R379 L382K292-D367 HydrophobicContact CB-CB 4.05Å; R293-D367 WeakPolarHBondContact CB-OD2 3.32Å; R293-D367 WeakPolarHBondContact CG-OD2 3.25Å; R293-D367 IonicContact CZ-OD1 3.23Å; R293-D367 IonicContact CZ-OD2 2.78Å; R293-D367 PolarHBondContact N-OD2 3.19Å; R293-D367 IonicContact NE-OD1 2.76Å; R293-D367 PolarHBondContact NE-OD1 2.87Å; R293-D367 IonicContact NE-OD2 3.69Å; R293-D367 PolarHBondContact NE-OD2 3.26Å; R293-D367 IonicContact NH2-OD1 2.77Å; R293-D367 PolarHBondContact NH2-OD1 3.32Å; R293-D367 IonicContact NH2-OD2 3.77Å; R293-D367 PolarHBondContact O-N 3.21Å; D367-T377 WeakPolarHBondContact O-CB 3.43Å; D367-T377 PolarHBondContact O-OG1 3.08Å; D367-R379 IonicContact OD1-NE 2.93Å; D367-L382 HydrophobicContact CB-CD1 3.94Å
368V97.8Very high95.5Very high0 Ų051.6 Ų51.60%025%0.253CS..EExtended strand (participates in β ladder)trans-129.6127.7177.8-175.20000109.9F287 R293 L294 L295 I370 V375 K376F287-V368 HydrophobicContact CB-CG2 4.1Å; F287-V368 HydrophobicContact CD1-CG2 3.61Å; F287-V368 HydrophobicContact CD2-CG1 4.3Å; F287-V368 HydrophobicContact CD2-CG2 3.88Å; F287-V368 HydrophobicContact CE1-CG2 3.88Å; F287-V368 HydrophobicContact CE2-CG1 4.46Å; F287-V368 HydrophobicContact CE2-CG2 4.11Å; F287-V368 HydrophobicContact CG-CG2 3.62Å; F287-V368 HydrophobicContact CZ-CG2 4.12Å; R293-V368 PolarHBondContact O-N 3.31Å; L294-V368 HydrophobicContact CD1-CB 4.33Å; L294-V368 HydrophobicContact CD1-CG2 4.38Å; L294-V368 HydrophobicContact CG-CB 4.16Å; L295-V368 PolarHBondContact N-O 3.35Å; V368-I370 HydrophobicContact CG1-CG1 4.11Å; V368-V375 HydrophobicContact CG1-CG1 3.45Å; V368-V375 VanDerWaalsContact CG1-CG1 3.45Å; V368-K376 WeakPolarHBondContact CA-O 3.42Å
369Y97.9Very high95.4Very high2 Ų250.8 Ų50.81%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-110.9133172.9-173.5-102.6000109.3L295 F297 F359 E360 Y366 D371 K376L295-Y369 HydrophobicContact CB-CD2 4.43Å; L295-Y369 HydrophobicContact CD2-CD2 4.37Å; L295-Y369 HydrophobicContact CD2-CE2 4.49Å; L295-Y369 HydrophobicContact CG-CD2 4.26Å; L295-Y369 HydrophobicContact CG-CE2 4.48Å; L295-Y369 CarbonylContact O-C 3.54Å; L295-Y369 WeakPolarHBondContact O-CA 3.35Å; F297-Y369 HydrophobicContact CB-CE1 4.25Å; F297-Y369 HydrophobicContact CB-CE2 3.96Å; F297-Y369 WeakPolarHBondContact CB-OH 3.29Å; F297-Y369 WeakPolarHBondContact CG-OH 3.49Å; F359-Y369 HydrophobicContact CB-CE2 4.41Å; E360-Y369 HydrophobicContact CB-CE1 4.04Å; E360-Y369 HydrophobicContact CB-CE2 4.37Å; E360-Y369 HydrophobicContact CG-CD1 4.42Å; E360-Y369 HydrophobicContact CG-CE1 3.82Å; Y366-Y369 HydrophobicContact CE1-CD2 4.23Å; Y366-Y369 VanDerWaalsContact CE2-CB 3.46Å; Y366-Y369 HydrophobicContact CE2-CG 4.37Å; Y369-D371 HydrophobicContact CD1-CB 4.28Å; Y369-D371 HydrophobicContact CE1-CB 3.9Å; Y369-K376 HydrophobicContact CD1-CD 4.35Å; Y369-K376 PolarHBondContact N-O 3.39Å; Y369-K376 PolarHBondContact O-N 2.95Å
370I97.5Very high95.3Very high1 Ų155.7 Ų55.71%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-121.1118.1-175.4-59165.3000107.6F277 L284 L294 L295 I296 F297 V368 N374 V375F277-I370 HydrophobicContact CE1-CG2 3.87Å; F277-I370 HydrophobicContact CZ-CG2 3.84Å; L284-I370 HydrophobicContact CD1-CD1 3.45Å; L284-I370 VanDerWaalsContact CD1-CD1 3.45Å; L294-I370 HydrophobicContact CD2-CD1 4.49Å; L295-I370 PolarHBondContact O-N 2.82Å; I296-I370 HydrophobicContact CG1-CB 4.2Å; I296-I370 HydrophobicContact CG1-CD1 3.98Å; F297-I370 PolarHBondContact N-O 3.44Å; V368-I370 HydrophobicContact CG1-CG1 4.11Å; I370-N374 WeakPolarHBondContact CA-O 3.25Å; I370-V375 HydrophobicContact CG1-CG1 4.42Å; I370-V375 HydrophobicContact CG1-CG2 4.49Å
371D95.3Very high95.1Very high38 Ų3858.1 Ų58.120%0.20329%0.29CS..EExtended strand (participates in β ladder)trans-126111.4-180177.319.2000108.9Y369 Q373 N374 K376Y369-D371 HydrophobicContact CD1-CB 4.28Å; Y369-D371 HydrophobicContact CE1-CB 3.9Å; D371-Q373 PolarHBondContact O-N 2.96Å; D371-N374 PolarHBondContact N-O 3.49Å; D371-N374 VanDerWaalsContact N-O 3.1Å; D371-N374 VanDerWaalsContact O-CB 3.3Å; D371-N374 WeakPolarHBondContact O-CB 3.36Å; D371-N374 PolarHBondContact O-N 3.05Å; D371-N374 PolarHBondContact O-ND2 3.41Å; D371-K376 IonicContact OD2-NZ 3.77Å; D371-K376 PolarHBondContact OD2-NZ 2.89Å
372N90.8Very high95.1Very high96 Ų9652 Ų5251%0.51326%0.258SS..THydrogen-bonded Turntrans53.8-114.9-164.1-16935.1000110.6F276F276-N372 WeakPolarHBondContact CE1-O 3.26Å; F276-N372 WeakPolarHBondContact CE2-OD1 3.42Å; F276-N372 WeakPolarHBondContact CZ-OD1 3.21Å
373Q91.1Very high95.1Very high95 Ų9552.2 Ų52.244%0.44426%0.26SS..THydrogen-bonded Turntrans-95.3-5.1174.9-61.1176.810.800113.1F276 D371 V375F276-Q373 HydrophobicContact CD1-CG 4.13Å; F276-Q373 HydrophobicContact CD2-CG 4.37Å; F276-Q373 HydrophobicContact CE1-CG 3.71Å; F276-Q373 HydrophobicContact CE2-CG 3.97Å; F276-Q373 HydrophobicContact CG-CG 4.45Å; F276-Q373 HydrophobicContact CZ-CG 3.63Å; F276-Q373 VanDerWaalsContact O-CG 3.3Å; F276-Q373 WeakPolarHBondContact O-CG 3.37Å; F276-Q373 PolarHBondContact O-NE2 3.27Å; D371-Q373 PolarHBondContact O-N 2.96Å; Q373-V375 PolarHBondContact O-N 3.45Å
374N94Very high95Very high93 Ų9350.1 Ų50.150%0.49726%0.257SS..EExtended strand (participates in β ladder)trans-83101.6-173.8-58.2-71.9000110.5I370 D371 K376I370-N374 WeakPolarHBondContact CA-O 3.25Å; D371-N374 PolarHBondContact N-O 3.49Å; D371-N374 VanDerWaalsContact N-O 3.1Å; D371-N374 VanDerWaalsContact O-CB 3.3Å; D371-N374 WeakPolarHBondContact O-CB 3.36Å; D371-N374 PolarHBondContact O-N 3.05Å; D371-N374 PolarHBondContact O-ND2 3.41Å; N374-K376 HydrophobicContact CB-CG 4.49Å; N374-K376 PolarHBondContact O-N 3.49Å
375V96.1Very high95Very high19 Ų1944.6 Ų44.612%0.11523%0.231CC..EExtended strand (participates in β ladder)trans-78.2115.9168.7-1700000108.3V283 F287 V368 I370 Q373 L386V283-V375 HydrophobicContact CG1-CG1 4.19Å; F287-V375 HydrophobicContact CD2-CG1 4.28Å; F287-V375 HydrophobicContact CE2-CG1 4Å; V368-V375 HydrophobicContact CG1-CG1 3.45Å; V368-V375 VanDerWaalsContact CG1-CG1 3.45Å; I370-V375 HydrophobicContact CG1-CG1 4.42Å; I370-V375 HydrophobicContact CG1-CG2 4.49Å; Q373-V375 PolarHBondContact O-N 3.45Å; V375-L386 HydrophobicContact CB-CD2 4.08Å; V375-L386 HydrophobicContact CG1-CD2 3.73Å; V375-L386 WeakPolarHBondContact O-CD2 3.46Å
376K95.5Very high95Very high76 Ų7646 Ų4633%0.3324%0.238SC..EExtended strand (participates in β ladder)trans-119.2140-178.6-59.4169.5-176.1161.40109.3E360 V368 Y369 D371 N374E360-K376 IonicContact OE1-NZ 2.75Å; E360-K376 PolarHBondContact OE1-NZ 3.42Å; V368-K376 WeakPolarHBondContact CA-O 3.42Å; Y369-K376 HydrophobicContact CD1-CD 4.35Å; Y369-K376 PolarHBondContact N-O 3.39Å; Y369-K376 PolarHBondContact O-N 2.95Å; D371-K376 IonicContact OD2-NZ 3.77Å; D371-K376 PolarHBondContact OD2-NZ 2.89Å; N374-K376 HydrophobicContact CB-CG 4.49Å; N374-K376 PolarHBondContact O-N 3.49Å
377T96.4Very high94.9Very high16 Ų1655.1 Ų55.110%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-126.1155.4162.1-172.70000109.8D367 R379 L382 Q383 L386D367-T377 WeakPolarHBondContact O-CB 3.43Å; D367-T377 PolarHBondContact O-OG1 3.08Å; T377-R379 PolarHBondContact OG1-N 3.01Å; T377-L382 HydrophobicContact CG2-CB 3.75Å; T377-Q383 HydrophobicContact CG2-CG 4.3Å; T377-Q383 PolarHBondContact O-NE2 3.25Å; T377-L386 HydrophobicContact CG2-CD1 3.96Å; T377-L386 HydrophobicContact CG2-CG 4.37Å
378H94.5Very high94.9Very high57 Ų5756.3 Ų56.326%0.26428%0.279SS..  trans-106.8-11.5171.172.9-84.2000111.9K363 Y366K363-H378 HydrophobicContact CD-CB 4.29Å; K363-H378 HydrophobicContact CG-CB 4.41Å; K363-H378 PolarHBondContact O-CE1 3.17Å; Y366-H378 AromaticContact CE2-ND1 3.96Å; Y366-H378 PolarHBondContact O-CE1 3.09Å
379R94.4Very high94.8Very high60 Ų6057.1 Ų57.123%0.22628%0.283CS..  trans-78.7124.3179.4-60.3-67-172.3-150.9-2.2109.1E364 D367 T377 H381 L382 Q383E364-R379 IonicContact OE1-NH1 2.75Å; E364-R379 IonicContact OE2-CZ 3.78Å; E364-R379 VanDerWaalsContact OE2-CZ 3.23Å; E364-R379 IonicContact OE2-NH1 3.34Å; E364-R379 PolarHBondContact OE2-NH1 3.09Å; E364-R379 IonicContact OE2-NH2 3.5Å; E364-R379 PolarHBondContact OE2-NH2 3.08Å; D367-R379 IonicContact OD1-NE 2.93Å; T377-R379 PolarHBondContact OG1-N 3.01Å; R379-H381 PolarHBondContact O-N 3.11Å; R379-L382 HydrophobicContact CB-CB 4.17Å; R379-L382 HydrophobicContact CB-CD1 3.9Å; R379-L382 HydrophobicContact CB-CG 3.9Å; R379-L382 HydrophobicContact CG-CD1 4.12Å; R379-L382 PolarHBondContact O-N 3.26Å; R379-Q383 PolarHBondContact O-N 3.38Å
380S93.2Very high94.6Very high102 Ų10260.5 Ų60.571%0.71331%0.311SS*.G310 helixtrans-60.6-42-175.649.80000113.6L382 Q383S380-L382 PolarHBondContact O-N 2.95Å; S380-Q383 PolarHBondContact O-N 3.04Å
381H92.9Very high94.5Very high100 Ų10061.4 Ų61.446%0.46332%0.319SS..G310 helixtrans-65.1-22.9178.667.5-89.2000113.5R379 P384R379-H381 PolarHBondContact O-N 3.11Å; H381-P384 VanDerWaalsContact O-CD 3.31Å; H381-P384 WeakPolarHBondContact O-CD 3.2Å
382L95.2Very high94.6Very high0 Ų059.6 Ų59.60%031%0.309CS..G310 helixtrans-89.7-13.9179.3-61.2-173.5000113.9F287 K292 D367 T377 R379 S380 L385F287-L382 HydrophobicContact CE1-CB 4.02Å; F287-L382 HydrophobicContact CE1-CD1 4.32Å; F287-L382 HydrophobicContact CE1-CD2 4.34Å; F287-L382 HydrophobicContact CE1-CG 4.45Å; K292-L382 HydrophobicContact CD-CD1 4.43Å; K292-L382 HydrophobicContact CD-CD2 4.41Å; D367-L382 HydrophobicContact CB-CD1 3.94Å; T377-L382 HydrophobicContact CG2-CB 3.75Å; R379-L382 HydrophobicContact CB-CB 4.17Å; R379-L382 HydrophobicContact CB-CD1 3.9Å; R379-L382 HydrophobicContact CB-CG 3.9Å; R379-L382 HydrophobicContact CG-CD1 4.12Å; R379-L382 PolarHBondContact O-N 3.26Å; S380-L382 PolarHBondContact O-N 2.95Å; L382-L385 HydrophobicContact CD2-CD1 3.79Å; L382-L385 WeakPolarHBondContact O-CB 3.35Å; L382-L385 PolarHBondContact O-N 3.22Å; L382-L385 VanDerWaalsContact O-N 3.16Å
383Q94.8Very high94.9Very high81 Ų8159.5 Ų59.538%0.37930%0.304SS..G310 helixtrans-57.4-37.6179.3-63.2-66.1-1900114.5T377 R379 S380 L385 L386T377-Q383 HydrophobicContact CG2-CG 4.3Å; T377-Q383 PolarHBondContact O-NE2 3.25Å; R379-Q383 PolarHBondContact O-N 3.38Å; S380-Q383 PolarHBondContact O-N 3.04Å; Q383-L385 PolarHBondContact O-N 3.39Å; Q383-L386 PolarHBondContact O-N 3.37Å
384P93.9Very high95.1Very high58 Ų5858.2 Ų58.238%0.37730%0.298SS..G310 helixtrans-59.4-34.8176.6-24.736.2000113.1H381 L386 R387H381-P384 VanDerWaalsContact O-CD 3.31Å; H381-P384 WeakPolarHBondContact O-CD 3.2Å; P384-L386 PolarHBondContact O-N 3.19Å; P384-R387 WeakPolarHBondContact O-CB 3.41Å; P384-R387 PolarHBondContact O-N 3.12Å; P384-R387 VanDerWaalsContact O-N 3.09Å
385L94.9Very high95.3Very high5 Ų554.3 Ų54.33%0.02628%0.277CS..G310 helixtrans-67.3-19.8-176.6-56177000113.4F287 L290 L382 Q383 R387 F468F287-L385 HydrophobicContact CD1-CD1 4.12Å; F287-L385 HydrophobicContact CE1-CB 3.81Å; F287-L385 HydrophobicContact CE1-CD1 3.64Å; F287-L385 HydrophobicContact CE1-CG 4.36Å; F287-L385 HydrophobicContact CE2-CB 4.48Å; F287-L385 HydrophobicContact CZ-CB 3.71Å; F287-L385 HydrophobicContact CZ-CD1 4.41Å; L290-L385 HydrophobicContact CD1-CD1 3.62Å; L382-L385 HydrophobicContact CD2-CD1 3.79Å; L382-L385 WeakPolarHBondContact O-CB 3.35Å; L382-L385 PolarHBondContact O-N 3.22Å; L382-L385 VanDerWaalsContact O-N 3.16Å; Q383-L385 PolarHBondContact O-N 3.39Å; L385-R387 PolarHBondContact O-N 2.7Å; L385-F468 HydrophobicContact CD2-CB 3.56Å; L385-F468 HydrophobicContact CD2-CD2 4.48Å
386L95.8Very high95.3Very high38 Ų3855.5 Ų55.520%0.19928%0.28CS..G310 helixtrans-71.7-12.2173.8-65.5178.1000113.5V283 F287 V375 T377 Q383 P384V283-L386 HydrophobicContact CG1-CD2 4Å; F287-L386 HydrophobicContact CE2-CD2 3.72Å; F287-L386 HydrophobicContact CZ-CD2 3.94Å; F287-L386 HydrophobicContact CZ-CG 4.33Å; V375-L386 HydrophobicContact CB-CD2 4.08Å; V375-L386 HydrophobicContact CG1-CD2 3.73Å; V375-L386 WeakPolarHBondContact O-CD2 3.46Å; T377-L386 HydrophobicContact CG2-CD1 3.96Å; T377-L386 HydrophobicContact CG2-CG 4.37Å; Q383-L386 PolarHBondContact O-N 3.37Å; P384-L386 PolarHBondContact O-N 3.19Å
387R94.5Very high95.4Very high200 Ų20056.8 Ų56.876%0.75528%0.282SS*.SBendtrans-92.1114.3-177-63-177.3177.6-179.3-0.7110.6P384 L385 N389P384-R387 WeakPolarHBondContact O-CB 3.41Å; P384-R387 PolarHBondContact O-N 3.12Å; P384-R387 VanDerWaalsContact O-N 3.09Å; L385-R387 PolarHBondContact O-N 2.7Å; R387-N389 PolarHBondContact O-N 3.06Å
388L95.6Very high95.4Very high45 Ų4560.5 Ų60.524%0.23630%0.297CS..  trans-62.6129.4170-69.2166.8000110.9E279 M282 V283 D392E279-L388 HydrophobicContact CB-CD1 3.6Å; E279-L388 HydrophobicContact CB-CD2 4.23Å; E279-L388 VanDerWaalsContact O-CD2 3.26Å; E279-L388 WeakPolarHBondContact O-CD2 3.49Å; M282-L388 HydrophobicContact CB-CD2 4.36Å; V283-L388 HydrophobicContact CG2-CD2 3.79Å; V283-L388 HydrophobicContact CG2-CG 4.12Å; L388-D392 HydrophobicContact CD2-CB 4Å
389N95.6Very high95.5Very high18 Ų1857.9 Ų57.910%0.09629%0.285CS..  trans-106.2177.9174.370.243000111.9R387 A391 D392 K393 D461 D465R387-N389 PolarHBondContact O-N 3.06Å; N389-A391 VanDerWaalsContact C-N 3.33Å; N389-A391 PolarHBondContact O-N 3.36Å; N389-A391 WeakPolarHBondContact OD1-CA 3.29Å; N389-A391 VanDerWaalsContact OD1-CB 3.31Å; N389-A391 WeakPolarHBondContact OD1-CB 3.24Å; N389-A391 PolarHBondContact OD1-N 2.94Å; N389-D392 VanDerWaalsContact CG-OD2 3.26Å; N389-D392 PolarHBondContact N-OD2 3.06Å; N389-D392 VanDerWaalsContact N-OD2 3.11Å; N389-D392 PolarHBondContact ND2-OD2 2.75Å; N389-D392 PolarHBondContact O-N 3.42Å; N389-D392 PolarHBondContact OD1-N 2.7Å; N389-D392 PolarHBondContact OD1-OD2 2.85Å; N389-K393 WeakPolarHBondContact O-CG 3.4Å; N389-K393 PolarHBondContact O-N 3.34Å; N389-D461 HydrophobicContact CB-CB 4.29Å; N389-D465 PolarHBondContact ND2-OD1 3.27Å; N389-D465 PolarHBondContact ND2-OD2 3.35Å
390A94.9Very high95.6Very high72 Ų7257.2 Ų57.260%0.59529%0.289SS*.Hα-helixtrans-64-36.5-179.200000112.9D392 K393 E394A390-D392 VanDerWaalsContact C-N 3.34Å; A390-D392 PolarHBondContact O-N 3Å; A390-K393 PolarHBondContact O-N 2.93Å; A390-E394 WeakPolarHBondContact O-CB 3.14Å; A390-E394 PolarHBondContact O-N 3.45Å
391A96Very high95.7Very high20 Ų2056.5 Ų56.517%0.16528%0.275CS..Hα-helixtrans-66.7-33.8176.800000112.1N389 E394 K395 D461N389-A391 VanDerWaalsContact C-N 3.33Å; N389-A391 PolarHBondContact O-N 3.36Å; N389-A391 WeakPolarHBondContact OD1-CA 3.29Å; N389-A391 VanDerWaalsContact OD1-CB 3.31Å; N389-A391 WeakPolarHBondContact OD1-CB 3.24Å; N389-A391 PolarHBondContact OD1-N 2.94Å; A391-E394 PolarHBondContact O-N 3.23Å; A391-K395 VanDerWaalsContact O-CG 3.26Å; A391-K395 WeakPolarHBondContact O-CG 3.49Å; A391-K395 PolarHBondContact O-N 2.9Å; A391-K395 PolarHBondContact O-NZ 2.85Å; A391-D461 HydrophobicContact CB-CB 4.06Å
392D96.9Very high95.7Very high0 Ų054.8 Ų54.80%027%0.267CS..Hα-helixtrans-67.5-44.8175.9-61.5-35.7000112.2M282 K286 L388 N389 A390 E394 K395 Y396M282-D392 HydrophobicContact CB-CB 3.83Å; M282-D392 HydrophobicContact CG-CB 4.13Å; K286-D392 WeakPolarHBondContact CE-OD1 3.31Å; K286-D392 IonicContact NZ-OD1 3.79Å; K286-D392 PolarHBondContact NZ-OD1 3.18Å; K286-D392 IonicContact NZ-OD2 2.68Å; K286-D392 PolarHBondContact NZ-OD2 3.47Å; L388-D392 HydrophobicContact CD2-CB 4Å; N389-D392 VanDerWaalsContact CG-OD2 3.26Å; N389-D392 PolarHBondContact N-OD2 3.06Å; N389-D392 VanDerWaalsContact N-OD2 3.11Å; N389-D392 PolarHBondContact ND2-OD2 2.75Å; N389-D392 PolarHBondContact O-N 3.42Å; N389-D392 PolarHBondContact OD1-N 2.7Å; N389-D392 PolarHBondContact OD1-OD2 2.85Å; A390-D392 VanDerWaalsContact C-N 3.34Å; A390-D392 PolarHBondContact O-N 3Å; D392-E394 VanDerWaalsContact C-N 3.27Å; D392-E394 PolarHBondContact O-N 3.23Å; D392-K395 WeakPolarHBondContact O-CB 3.32Å; D392-K395 PolarHBondContact O-N 3.22Å; D392-K395 IonicContact OD1-NZ 2.63Å; D392-K395 PolarHBondContact OD1-NZ 2.94Å; D392-Y396 PolarHBondContact O-N 3.46Å
393K96.6Very high95.6Very high95 Ų9557.7 Ų57.741%0.41328%0.278SS..Hα-helixtrans-61.5-39.6175.5-60.7-169.8179-126.80111.3E279 N389 A390 Y396 R397E279-K393 WeakPolarHBondContact OE1-CG 3.41Å; E279-K393 IonicContact OE1-NZ 2.92Å; E279-K393 WeakPolarHBondContact OE2-CE 3.33Å; E279-K393 IonicContact OE2-NZ 3.48Å; E279-K393 PolarHBondContact OE2-NZ 3.26Å; N389-K393 WeakPolarHBondContact O-CG 3.4Å; N389-K393 PolarHBondContact O-N 3.34Å; A390-K393 PolarHBondContact O-N 2.93Å; K393-Y396 PolarHBondContact O-N 3.36Å; K393-R397 WeakPolarHBondContact O-CB 3.31Å; K393-R397 PolarHBondContact O-N 3.33Å
394E96.4Very high95.5Very high67 Ų6759.2 Ų59.231%0.31329%0.285SS..Hα-helixtrans-66.7-38.3175.3176.261.8-175.400112.9A390 A391 D392 R397 K398A390-E394 WeakPolarHBondContact O-CB 3.14Å; A390-E394 PolarHBondContact O-N 3.45Å; A391-E394 PolarHBondContact O-N 3.23Å; D392-E394 VanDerWaalsContact C-N 3.27Å; D392-E394 PolarHBondContact O-N 3.23Å; E394-R397 IonicContact OE1-CZ 2.72Å; E394-R397 IonicContact OE1-NH2 2.74Å; E394-R397 PolarHBondContact OE1-NH2 3.06Å; E394-R397 IonicContact OE2-CZ 3.5Å; E394-R397 VanDerWaalsContact OE2-CZ 3.23Å; E394-R397 IonicContact OE2-NE 2.86Å; E394-R397 PolarHBondContact OE2-NE 3.35Å; E394-R397 IonicContact OE2-NH2 3.21Å; E394-R397 PolarHBondContact OE2-NH2 3.13Å; E394-K398 WeakPolarHBondContact O-CG 3.35Å; E394-K398 PolarHBondContact O-N 3.19Å; E394-K398 VanDerWaalsContact O-N 3.14Å; E394-K398 WeakPolarHBondContact OE1-CE 3.35Å; E394-K398 IonicContact OE1-NZ 2.77Å; E394-K398 PolarHBondContact OE1-NZ 2.86Å
395K96.5Very high95.3Very high11 Ų1162.3 Ų62.35%0.04830%0.296CS..Hα-helixtrans-59.8-49.6169.6-68.6170.7-156.987.20110.3M282 W285 A391 D392 R397 K398 L399 F427 L431 G459M282-K395 HydrophobicContact CE-CB 3.78Å; M282-K395 HydrophobicContact CG-CB 4.48Å; M282-K395 HydrophobicContact SD-CB 3.78Å; M282-K395 HydrophobicContact SD-CD 3.91Å; W285-K395 HydrophobicContact CH2-CD 4.48Å; W285-K395 HydrophobicContact CZ3-CD 4.09Å; A391-K395 VanDerWaalsContact O-CG 3.26Å; A391-K395 WeakPolarHBondContact O-CG 3.49Å; A391-K395 PolarHBondContact O-N 2.9Å; A391-K395 PolarHBondContact O-NZ 2.85Å; D392-K395 WeakPolarHBondContact O-CB 3.32Å; D392-K395 PolarHBondContact O-N 3.22Å; D392-K395 IonicContact OD1-NZ 2.63Å; D392-K395 PolarHBondContact OD1-NZ 2.94Å; K395-R397 PolarHBondContact O-N 2.86Å; K395-K398 PolarHBondContact O-N 3.08Å; K395-L399 PolarHBondContact O-N 2.79Å; K395-F427 HydrophobicContact CB-CZ 4.45Å; K395-F427 WeakPolarHBondContact O-CZ 3.29Å; K395-L431 HydrophobicContact CD-CD1 4.17Å; K395-L431 HydrophobicContact CG-CD1 4.42Å; K395-L431 HydrophobicContact CG-CD2 4.43Å; K395-G459 WeakPolarHBondContact CE-O 3.5Å; K395-G459 PolarHBondContact NZ-O 2.71Å; K395-G459 VanDerWaalsContact NZ-O 3.16Å
396Y97.4Very high95.1Very high45 Ų4563 Ų6318%0.17630%0.3CS..Hα-helixtrans-66.9-37-176.9-176.9-98.3000112.8I274 G278 E279 I281 M282 D392 K393 L399 S400I274-Y396 HydrophobicContact CG2-CE2 4.17Å; G278-Y396 WeakPolarHBondContact O-CD2 3.41Å; G278-Y396 VanDerWaalsContact O-CE2 3.25Å; G278-Y396 WeakPolarHBondContact O-CE2 3.4Å; E279-Y396 HydrophobicContact CG-CD1 3.92Å; E279-Y396 HydrophobicContact CG-CE1 4.48Å; E279-Y396 HydrophobicContact CG-CG 4.33Å; I281-Y396 HydrophobicContact CG2-CD2 3.79Å; I281-Y396 HydrophobicContact CG2-CE2 4.22Å; M282-Y396 HydrophobicContact CE-CD2 4.43Å; D392-Y396 PolarHBondContact O-N 3.46Å; K393-Y396 PolarHBondContact O-N 3.36Å; Y396-L399 PolarHBondContact O-N 2.8Å; Y396-S400 WeakPolarHBondContact CE1-OG 3.06Å; Y396-S400 WeakPolarHBondContact O-CB 3.48Å; Y396-S400 PolarHBondContact O-N 3.1Å; Y396-S400 PolarHBondContact O-OG 2.89Å
397R97.4Very high94.7Very high103 Ų10363 Ų6339%0.38930%0.3SS..Hα-helixtrans-58.8-49.6171.9-173.2-173.567.6786.5111.2K393 E394 K395 L399 S400 E401K393-R397 WeakPolarHBondContact O-CB 3.31Å; K393-R397 PolarHBondContact O-N 3.33Å; E394-R397 IonicContact OE1-CZ 2.72Å; E394-R397 IonicContact OE1-NH2 2.74Å; E394-R397 PolarHBondContact OE1-NH2 3.06Å; E394-R397 IonicContact OE2-CZ 3.5Å; E394-R397 VanDerWaalsContact OE2-CZ 3.23Å; E394-R397 IonicContact OE2-NE 2.86Å; E394-R397 PolarHBondContact OE2-NE 3.35Å; E394-R397 IonicContact OE2-NH2 3.21Å; E394-R397 PolarHBondContact OE2-NH2 3.13Å; K395-R397 PolarHBondContact O-N 2.86Å; R397-L399 PolarHBondContact O-N 3.26Å; R397-S400 WeakPolarHBondContact O-CB 3.12Å; R397-S400 PolarHBondContact O-N 2.93Å; R397-E401 IonicContact CZ-OE1 2.73Å; R397-E401 IonicContact CZ-OE2 3.75Å; R397-E401 IonicContact NH1-OE1 2.87Å; R397-E401 PolarHBondContact NH1-OE1 2.69Å; R397-E401 IonicContact NH1-OE2 3.77Å; R397-E401 PolarHBondContact NH1-OE2 3.49Å; R397-E401 WeakPolarHBondContact O-CG 3.33Å; R397-E401 PolarHBondContact O-N 2.88Å
398K96.8Very high94.4Very high94 Ų9460.7 Ų60.741%0.40929%0.292SS..Hα-helixtrans-59.8-43.3177-76.2171.3177.9146.10112.6E394 K395 S400 E401 Q402 F427E394-K398 WeakPolarHBondContact O-CG 3.35Å; E394-K398 PolarHBondContact O-N 3.19Å; E394-K398 VanDerWaalsContact O-N 3.14Å; E394-K398 WeakPolarHBondContact OE1-CE 3.35Å; E394-K398 IonicContact OE1-NZ 2.77Å; E394-K398 PolarHBondContact OE1-NZ 2.86Å; K395-K398 PolarHBondContact O-N 3.08Å; K398-S400 VanDerWaalsContact C-N 3.32Å; K398-S400 PolarHBondContact O-N 2.94Å; K398-E401 PolarHBondContact O-N 3.14Å; K398-Q402 WeakPolarHBondContact O-CG 3.36Å; K398-Q402 PolarHBondContact O-N 3.2Å; K398-F427 HydrophobicContact CB-CE2 4.31Å
399L96.3Very high94Very high1 Ų160.7 Ų60.71%0.00530%0.296CS..Hα-helixtrans-60.5-43.6176-174.758.7000111.7I274 M282 K395 Y396 R397 Q402 R403 F424 F427 F428I274-L399 HydrophobicContact CG2-CD2 4Å; M282-L399 HydrophobicContact CE-CD2 4.39Å; K395-L399 PolarHBondContact O-N 2.79Å; Y396-L399 PolarHBondContact O-N 2.8Å; R397-L399 PolarHBondContact O-N 3.26Å; L399-Q402 PolarHBondContact O-N 2.73Å; L399-R403 WeakPolarHBondContact O-CB 3.11Å; L399-R403 PolarHBondContact O-N 2.91Å; L399-F424 HydrophobicContact CD1-CD1 3.6Å; L399-F424 HydrophobicContact CD1-CE1 4.07Å; L399-F424 HydrophobicContact CD2-CD1 4.08Å; L399-F424 HydrophobicContact CD2-CE1 4.38Å; L399-F424 HydrophobicContact CG-CD1 4.01Å; L399-F424 HydrophobicContact CG-CE1 4.12Å; L399-F427 HydrophobicContact CB-CD1 4.24Å; L399-F427 HydrophobicContact CB-CE1 3.87Å; L399-F427 HydrophobicContact CB-CE2 4.18Å; L399-F427 HydrophobicContact CB-CZ 3.84Å; L399-F427 HydrophobicContact CD1-CB 3.73Å; L399-F427 HydrophobicContact CD1-CD1 3.49Å; L399-F427 VanDerWaalsContact CD1-CD1 3.49Å; L399-F427 HydrophobicContact CD1-CD2 3.93Å; L399-F427 HydrophobicContact CD1-CE1 4.02Å; L399-F427 HydrophobicContact CD1-CE2 4.41Å; L399-F427 HydrophobicContact CD1-CG 3.43Å; L399-F427 VanDerWaalsContact CD1-CG 3.43Å; L399-F427 HydrophobicContact CD1-CZ 4.46Å; L399-F427 HydrophobicContact CD2-CD1 4.1Å; L399-F427 HydrophobicContact CD2-CE1 4.12Å; L399-F427 HydrophobicContact CG-CD1 4.14Å; L399-F427 HydrophobicContact CG-CE1 4.22Å; L399-F427 HydrophobicContact CG-CG 4.46Å; L399-F428 HydrophobicContact CD2-CE2 3.91Å; L399-F428 HydrophobicContact CD2-CZ 4.17Å
400S95.1Very high93.5Very high46 Ų4663 Ų6332%0.32231%0.306SS..Hα-helixtrans-64.9-39.2177.2-57.50000112.3Y396 R397 K398 R403 Q404Y396-S400 WeakPolarHBondContact CE1-OG 3.06Å; Y396-S400 WeakPolarHBondContact O-CB 3.48Å; Y396-S400 PolarHBondContact O-N 3.1Å; Y396-S400 PolarHBondContact O-OG 2.89Å; R397-S400 WeakPolarHBondContact O-CB 3.12Å; R397-S400 PolarHBondContact O-N 2.93Å; K398-S400 VanDerWaalsContact C-N 3.32Å; K398-S400 PolarHBondContact O-N 2.94Å; S400-R403 PolarHBondContact O-N 3.19Å; S400-Q404 WeakPolarHBondContact O-CB 3.47Å; S400-Q404 PolarHBondContact O-N 3.17Å
401E95.4Very high92.9Very high87 Ų8766.8 Ų66.841%0.40731%0.312SS..Hα-helixtrans-68.5-43.6176.5-75.5169.7-179.700112.1R397 K398 R403 Q404 M405R397-E401 IonicContact CZ-OE1 2.73Å; R397-E401 IonicContact CZ-OE2 3.75Å; R397-E401 IonicContact NH1-OE1 2.87Å; R397-E401 PolarHBondContact NH1-OE1 2.69Å; R397-E401 IonicContact NH1-OE2 3.77Å; R397-E401 PolarHBondContact NH1-OE2 3.49Å; R397-E401 WeakPolarHBondContact O-CG 3.33Å; R397-E401 PolarHBondContact O-N 2.88Å; K398-E401 PolarHBondContact O-N 3.14Å; E401-R403 VanDerWaalsContact C-N 3.32Å; E401-R403 PolarHBondContact O-N 2.81Å; E401-Q404 PolarHBondContact O-N 2.77Å; E401-M405 WeakPolarHBondContact O-CG 3.23Å; E401-M405 PolarHBondContact O-N 3.1Å
402Q94Very high92.3Very high65 Ų6570.6 Ų70.630%0.30433%0.332SS..Hα-helixtrans-60.7-41.9173.7-73.5-180-9.900111.8K398 L399 M405 L406 L423 F427K398-Q402 WeakPolarHBondContact O-CG 3.36Å; K398-Q402 PolarHBondContact O-N 3.2Å; L399-Q402 PolarHBondContact O-N 2.73Å; Q402-M405 HydrophobicContact CB-CE 4.49Å; Q402-M405 HydrophobicContact CG-CE 4.14Å; Q402-M405 PolarHBondContact O-N 3.42Å; Q402-L406 PolarHBondContact O-N 3.37Å; Q402-L423 HydrophobicContact CB-CD1 4.15Å; Q402-L423 HydrophobicContact CB-CD2 4.24Å; Q402-F427 VanDerWaalsContact OE1-CD2 3.28Å
403R93.1Very high91.5Very high61 Ų6174.4 Ų74.423%0.2335%0.353CS..Hα-helixtrans-60.5-45.4173.7-174.4-167.6178.8-101.6-20.6111.6S271 L399 S400 E401 M405 L406 L407 E420 L423 F424S271-R403 PolarHBondContact OG-NE 3.07Å; S271-R403 PolarHBondContact OG-NH2 2.72Å; L399-R403 WeakPolarHBondContact O-CB 3.11Å; L399-R403 PolarHBondContact O-N 2.91Å; S400-R403 PolarHBondContact O-N 3.19Å; E401-R403 VanDerWaalsContact C-N 3.32Å; E401-R403 PolarHBondContact O-N 2.81Å; R403-M405 VanDerWaalsContact C-N 3.33Å; R403-M405 PolarHBondContact O-N 3.19Å; R403-L406 WeakPolarHBondContact O-CB 3.48Å; R403-L406 PolarHBondContact O-N 2.78Å; R403-L407 HydrophobicContact CG-CD1 4.45Å; R403-L407 WeakPolarHBondContact O-CG 3.41Å; R403-L407 PolarHBondContact O-N 3.36Å; R403-E420 IonicContact CZ-OE1 3.64Å; R403-E420 IonicContact NE-OE1 3.65Å; R403-E420 PolarHBondContact NE-OE1 3.17Å; R403-E420 IonicContact NH2-OE1 2.76Å; R403-E420 PolarHBondContact NH2-OE1 3.44Å; R403-E420 IonicContact NH2-OE2 2.77Å; R403-L423 HydrophobicContact CB-CD2 4.24Å; R403-F424 HydrophobicContact CG-CZ 4.26Å
404Q91.8Very high90Very high113 Ų11379.2 Ų79.253%0.52838%0.377SS..Hα-helixtrans-64.8-37.4179.2-170.660.550.400112.3S400 E401 Y408S400-Q404 WeakPolarHBondContact O-CB 3.47Å; S400-Q404 PolarHBondContact O-N 3.17Å; E401-Q404 PolarHBondContact O-N 2.77Å; Q404-Y408 WeakPolarHBondContact O-CB 3.35Å; Q404-Y408 PolarHBondContact O-N 3.48Å
405M91.1Very high88.6Confident123 Ų12382.3 Ų82.361%0.60640%0.395SS*.Hα-helixtrans-66.1-39.4173.2-70.3-173.2-64.700112.3E401 Q402 R403 Y408 S409E401-M405 WeakPolarHBondContact O-CG 3.23Å; E401-M405 PolarHBondContact O-N 3.1Å; Q402-M405 HydrophobicContact CB-CE 4.49Å; Q402-M405 HydrophobicContact CG-CE 4.14Å; Q402-M405 PolarHBondContact O-N 3.42Å; R403-M405 VanDerWaalsContact C-N 3.33Å; R403-M405 PolarHBondContact O-N 3.19Å; M405-Y408 PolarHBondContact O-N 3.34Å; M405-S409 WeakPolarHBondContact O-CB 3.26Å; M405-S409 PolarHBondContact O-N 3.37Å
406L89.8Confident87.1Confident19 Ų1983.8 Ų83.810%0.09941%0.407CS..Hα-helixtrans-60.3-51.8174.9173.963.8000111Q402 R403 Y408 S409 Q410 A418 E420 L423Q402-L406 PolarHBondContact O-N 3.37Å; R403-L406 WeakPolarHBondContact O-CB 3.48Å; R403-L406 PolarHBondContact O-N 2.78Å; L406-Y408 VanDerWaalsContact C-N 3.35Å; L406-Y408 PolarHBondContact O-N 3.12Å; L406-S409 PolarHBondContact O-N 3.1Å; L406-S409 PolarHBondContact O-OG 3.05Å; L406-Q410 HydrophobicContact CD1-CG 4.48Å; L406-Q410 WeakPolarHBondContact O-CG 3.19Å; L406-Q410 PolarHBondContact O-N 2.84Å; L406-A418 HydrophobicContact CD1-CB 3.49Å; L406-A418 VanDerWaalsContact CD1-CB 3.49Å; L406-E420 HydrophobicContact CD2-CB 4.48Å; L406-E420 HydrophobicContact CD2-CG 4.12Å; L406-L423 HydrophobicContact CB-CD2 4.15Å; L406-L423 HydrophobicContact CD2-CB 4.07Å; L406-L423 HydrophobicContact CD2-CD2 3.78Å
407L87.9Confident85.6Confident39 Ų3988.2 Ų88.220%0.20444%0.439CS..Hα-helixtrans-58.3-46.1178.5-66.5172.2000111.6R403 S409 Q410 E411R403-L407 HydrophobicContact CG-CD1 4.45Å; R403-L407 WeakPolarHBondContact O-CG 3.41Å; R403-L407 PolarHBondContact O-N 3.36Å; L407-S409 VanDerWaalsContact C-N 3.28Å; L407-S409 PolarHBondContact O-N 3.11Å; L407-Q410 PolarHBondContact O-N 3.45Å; L407-Q410 VanDerWaalsContact O-N 3.15Å; L407-E411 WeakPolarHBondContact O-CG 3.43Å; L407-E411 PolarHBondContact O-N 2.63Å
408Y87.9Confident84.3Confident150 Ų15085.5 Ų85.559%0.58844%0.438SS*.Hα-helixtrans-60.2-36.8175.5-178.8-103000112.7Q404 M405 L406 E411 V412Q404-Y408 WeakPolarHBondContact O-CB 3.35Å; Q404-Y408 PolarHBondContact O-N 3.48Å; M405-Y408 PolarHBondContact O-N 3.34Å; L406-Y408 VanDerWaalsContact C-N 3.35Å; L406-Y408 PolarHBondContact O-N 3.12Å; Y408-E411 PolarHBondContact O-N 3.5Å; Y408-V412 HydrophobicContact CD1-CG2 4.46Å; Y408-V412 HydrophobicContact CD2-CG2 4.39Å; Y408-V412 HydrophobicContact CE1-CG2 4.04Å; Y408-V412 HydrophobicContact CE2-CG2 3.97Å; Y408-V412 VanDerWaalsContact O-CG2 3.3Å; Y408-V412 WeakPolarHBondContact O-CG2 3.48Å; Y408-V412 PolarHBondContact O-N 3.22Å
409S86.4Confident83.6Confident45 Ų4583.2 Ų83.232%0.31543%0.431SS..Hα-helixtrans-68.4-34.5176.1750000113.1M405 L406 L407 V412 D413M405-S409 WeakPolarHBondContact O-CB 3.26Å; M405-S409 PolarHBondContact O-N 3.37Å; L406-S409 PolarHBondContact O-N 3.1Å; L406-S409 PolarHBondContact O-OG 3.05Å; L407-S409 VanDerWaalsContact C-N 3.28Å; L407-S409 PolarHBondContact O-N 3.11Å; S409-V412 PolarHBondContact O-N 3.28Å; S409-D413 PolarHBondContact O-N 2.88Å
410Q85.1Confident83.1Confident67 Ų6785 Ų8531%0.31344%0.439SS..Hα-helixtrans-70.6-34.2174.4-67.6168.8-13.800112.2L406 L407 V412 C416 A418L406-Q410 HydrophobicContact CD1-CG 4.48Å; L406-Q410 WeakPolarHBondContact O-CG 3.19Å; L406-Q410 PolarHBondContact O-N 2.84Å; L407-Q410 PolarHBondContact O-N 3.45Å; L407-Q410 VanDerWaalsContact O-N 3.15Å; Q410-V412 VanDerWaalsContact C-N 3.32Å; Q410-C416 HydrophobicContact CG-CB 4.23Å; Q410-A418 PolarHBondContact NE2-O 3.12Å
411E82.8Confident82.6Confident152 Ų15284 Ų8471%0.7143%0.429SS*.Hα-helixtrans-69.7-27.2174.6-72.2176.8176.600113L407 Y408L407-E411 WeakPolarHBondContact O-CG 3.43Å; L407-E411 PolarHBondContact O-N 2.63Å; Y408-E411 PolarHBondContact O-N 3.5Å
412V84Confident82Confident99 Ų9982.8 Ų82.860%0.643%0.426SS*.Hα-helixtrans-98.4-30.5-174.9174.40000113.3Y408 S409 Q410Y408-V412 HydrophobicContact CD1-CG2 4.46Å; Y408-V412 HydrophobicContact CD2-CG2 4.39Å; Y408-V412 HydrophobicContact CE1-CG2 4.04Å; Y408-V412 HydrophobicContact CE2-CG2 3.97Å; Y408-V412 VanDerWaalsContact O-CG2 3.3Å; Y408-V412 WeakPolarHBondContact O-CG2 3.48Å; Y408-V412 PolarHBondContact O-N 3.22Å; S409-V412 PolarHBondContact O-N 3.28Å; Q410-V412 VanDerWaalsContact C-N 3.32Å
413D79.1Confident81.8Confident80 Ų8081.4 Ų81.443%0.42842%0.42SS..  trans-120.2104.4175.9-177.48.2000111.1S409 N415 C416S409-D413 PolarHBondContact O-N 2.88Å; D413-N415 PolarHBondContact O-N 3.43Å; D413-N415 WeakPolarHBondContact OD1-CB 3.46Å; D413-N415 PolarHBondContact OD1-N 2.92Å; D413-N415 PolarHBondContact OD1-ND2 3.05Å; D413-N415 VanDerWaalsContact OD1-ND2 3.09Å; D413-C416 HydrophobicContact CB-CB 4.47Å; D413-C416 VanDerWaalsContact O-CB 3.29Å; D413-C416 WeakPolarHBondContact O-CB 3.07Å; D413-C416 PolarHBondContact O-N 3.2Å
414E64.7Low81.7Confident196 Ų19678.6 Ų78.692%0.91641%0.409SS*.THydrogen-bonded Turntrans-58.5-11.6177-64-176.215200113.8
415N67.1Low81.6Confident132 Ų13274.6 Ų74.671%0.70639%0.391SS*.THydrogen-bonded Turntrans-98.22.9176.3-51.8-84000113.7D413 T417D413-N415 PolarHBondContact O-N 3.43Å; D413-N415 WeakPolarHBondContact OD1-CB 3.46Å; D413-N415 PolarHBondContact OD1-N 2.92Å; D413-N415 PolarHBondContact OD1-ND2 3.05Å; D413-N415 VanDerWaalsContact OD1-ND2 3.09Å; N415-T417 PolarHBondContact O-N 3.25Å; N415-T417 VanDerWaalsContact O-N 3.16Å
416C65.8Low81.5Confident43 Ų4373.5 Ų73.529%0.29139%0.388SS..  trans-69.2110.8-179.1-168.60000111.5Q410 D413Q410-C416 HydrophobicContact CG-CB 4.23Å; D413-C416 HydrophobicContact CB-CB 4.47Å; D413-C416 VanDerWaalsContact O-CB 3.29Å; D413-C416 WeakPolarHBondContact O-CB 3.07Å; D413-C416 PolarHBondContact O-N 3.2Å
417T67.1Low81.7Confident138 Ų13873.2 Ų73.285%0.84739%0.386SS*.  trans-94.85.4179.652.80000114.3N415 N419N415-T417 PolarHBondContact O-N 3.25Å; N415-T417 VanDerWaalsContact O-N 3.16Å; T417-N419 PolarHBondContact O-N 3.45Å
418A69.8Low82Confident46 Ų4671.4 Ų71.438%0.3838%0.376SS..  trans-69.7130.1-176.200000111.6L406 Q410L406-A418 HydrophobicContact CD1-CB 3.49Å; L406-A418 VanDerWaalsContact CD1-CB 3.49Å; Q410-A418 PolarHBondContact NE2-O 3.12Å
419N81.4Confident82.1Confident46 Ų4666.4 Ų66.425%0.24636%0.359CS..  trans-95.4143.9-177.6-174.75.7000111.4T417 E421 D422 L423T417-N419 PolarHBondContact O-N 3.45Å; N419-E421 VanDerWaalsContact C-N 3.28Å; N419-E421 PolarHBondContact ND2-OE2 3.42Å; N419-E421 PolarHBondContact O-N 3.02Å; N419-E421 PolarHBondContact OD1-N 2.68Å; N419-D422 HydrophobicContact CB-CB 4.3Å; N419-D422 WeakPolarHBondContact CB-OD2 3.37Å; N419-D422 PolarHBondContact O-N 2.96Å; N419-L423 PolarHBondContact O-N 3.33Å
420E85.1Confident82.4Confident37 Ų3770 Ų7017%0.17337%0.37CS..Hα-helixtrans-61.3-37.6171.7-65.5-165.5109.500111.6S271 R403 L406 D422 L423 F424S271-E420 WeakPolarHBondContact CB-OE2 3.42Å; S271-E420 PolarHBondContact OG-OE1 2.99Å; S271-E420 VanDerWaalsContact OG-OE1 3.06Å; S271-E420 PolarHBondContact OG-OE2 3.09Å; R403-E420 IonicContact CZ-OE1 3.64Å; R403-E420 IonicContact NE-OE1 3.65Å; R403-E420 PolarHBondContact NE-OE1 3.17Å; R403-E420 IonicContact NH2-OE1 2.76Å; R403-E420 PolarHBondContact NH2-OE1 3.44Å; R403-E420 IonicContact NH2-OE2 2.77Å; L406-E420 HydrophobicContact CD2-CB 4.48Å; L406-E420 HydrophobicContact CD2-CG 4.12Å; E420-D422 PolarHBondContact O-N 3.49Å; E420-L423 WeakPolarHBondContact O-CB 3.22Å; E420-L423 PolarHBondContact O-N 2.99Å; E420-F424 HydrophobicContact CB-CD2 4.44Å; E420-F424 HydrophobicContact CB-CE2 3.86Å; E420-F424 WeakPolarHBondContact O-CD2 3.17Å; E420-F424 WeakPolarHBondContact O-CE2 3.13Å; E420-F424 WeakPolarHBondContact O-CG 3.46Å; E420-F424 PolarHBondContact O-N 3Å
421E84.4Confident82.8Confident26 Ų2667.9 Ų67.912%0.12136%0.361CS..Hα-helixtrans-62.4-45-179.9-55175.4123.800111.5M270 Y307 N419 L423 F424 I425M270-E421 HydrophobicContact CB-CB 4.45Å; M270-E421 HydrophobicContact CB-CG 4.01Å; Y307-E421 PolarHBondContact OH-OE1 3.2Å; N419-E421 VanDerWaalsContact C-N 3.28Å; N419-E421 PolarHBondContact ND2-OE2 3.42Å; N419-E421 PolarHBondContact O-N 3.02Å; N419-E421 PolarHBondContact OD1-N 2.68Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 3.07Å; E421-F424 PolarHBondContact O-N 3.37Å; E421-I425 VanDerWaalsContact O-CG1 3.27Å; E421-I425 WeakPolarHBondContact O-CG1 3.28Å; E421-I425 PolarHBondContact O-N 2.79Å
422D84.3Confident83.3Confident62 Ų6260.7 Ų60.733%0.33233%0.327SS..Hα-helixtrans-62-41.4176.8-68.1-38000111N419 E420 F424 I425 L426N419-D422 HydrophobicContact CB-CB 4.3Å; N419-D422 WeakPolarHBondContact CB-OD2 3.37Å; N419-D422 PolarHBondContact O-N 2.96Å; E420-D422 PolarHBondContact O-N 3.49Å; D422-F424 PolarHBondContact O-N 3.12Å; D422-I425 PolarHBondContact O-N 3.18Å; D422-L426 VanDerWaalsContact O-CB 3.28Å; D422-L426 WeakPolarHBondContact O-CB 3.27Å; D422-L426 WeakPolarHBondContact O-CG 3.46Å; D422-L426 PolarHBondContact O-N 3.01Å
423L89.8Confident83.7Confident35 Ų3557.2 Ų57.218%0.18331%0.306CS..Hα-helixtrans-58-48.9175.117567.3000111.7Q402 R403 L406 N419 E420 E421 L426 F427Q402-L423 HydrophobicContact CB-CD1 4.15Å; Q402-L423 HydrophobicContact CB-CD2 4.24Å; R403-L423 HydrophobicContact CB-CD2 4.24Å; L406-L423 HydrophobicContact CB-CD2 4.15Å; L406-L423 HydrophobicContact CD2-CB 4.07Å; L406-L423 HydrophobicContact CD2-CD2 3.78Å; N419-L423 PolarHBondContact O-N 3.33Å; E420-L423 WeakPolarHBondContact O-CB 3.22Å; E420-L423 PolarHBondContact O-N 2.99Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 3.07Å; L423-L426 PolarHBondContact O-N 3.35Å; L423-F427 WeakPolarHBondContact O-CB 3.49Å; L423-F427 PolarHBondContact O-N 2.81Å
424F91.3Very high84.4Confident2 Ų259.2 Ų59.21%0.00931%0.307CS..Hα-helixtrans-64.7-44.3179.8-61.9-56.9000111.9M270 S271 I274 L399 R403 E420 E421 D422 L426 F427 F428M270-F424 HydrophobicContact CB-CD2 4.28Å; M270-F424 HydrophobicContact CE-CB 3.69Å; M270-F424 HydrophobicContact CG-CB 4.31Å; M270-F424 HydrophobicContact CG-CD2 4Å; M270-F424 HydrophobicContact CG-CG 4.48Å; M270-F424 HydrophobicContact SD-CB 3.82Å; M270-F424 HydrophobicContact SD-CD2 4.39Å; S271-F424 VanDerWaalsContact CA-CE2 3.47Å; I274-F424 HydrophobicContact CB-CE1 4.31Å; I274-F424 HydrophobicContact CB-CZ 4.45Å; I274-F424 HydrophobicContact CG1-CD1 3.89Å; I274-F424 HydrophobicContact CG1-CD2 4.18Å; I274-F424 HydrophobicContact CG1-CE1 4.07Å; I274-F424 HydrophobicContact CG1-CE2 4.36Å; I274-F424 HydrophobicContact CG1-CG 3.97Å; I274-F424 HydrophobicContact CG1-CZ 4.31Å; I274-F424 HydrophobicContact CG2-CD1 4.48Å; I274-F424 HydrophobicContact CG2-CE1 4.13Å; L399-F424 HydrophobicContact CD1-CD1 3.6Å; L399-F424 HydrophobicContact CD1-CE1 4.07Å; L399-F424 HydrophobicContact CD2-CD1 4.08Å; L399-F424 HydrophobicContact CD2-CE1 4.38Å; L399-F424 HydrophobicContact CG-CD1 4.01Å; L399-F424 HydrophobicContact CG-CE1 4.12Å; R403-F424 HydrophobicContact CG-CZ 4.26Å; E420-F424 HydrophobicContact CB-CD2 4.44Å; E420-F424 HydrophobicContact CB-CE2 3.86Å; E420-F424 WeakPolarHBondContact O-CD2 3.17Å; E420-F424 WeakPolarHBondContact O-CE2 3.13Å; E420-F424 WeakPolarHBondContact O-CG 3.46Å; E420-F424 PolarHBondContact O-N 3Å; E421-F424 PolarHBondContact O-N 3.37Å; D422-F424 PolarHBondContact O-N 3.12Å; F424-L426 PolarHBondContact O-N 3.03Å; F424-F427 PolarHBondContact O-N 2.91Å; F424-F428 WeakPolarHBondContact O-CD2 3.3Å; F424-F428 PolarHBondContact O-N 2.89Å; F424-F428 VanDerWaalsContact O-N 3.12Å
425I88.3Confident85.9Confident30 Ų3049.9 Ų49.915%0.15426%0.264CS..Hα-helixtrans-61.4-46.3178.9-66.8167.1000110.5M270 C314 E421 D422 M429M270-I425 HydrophobicContact CE-CG1 4.11Å; M270-I425 HydrophobicContact SD-CD1 4.44Å; M270-I425 HydrophobicContact SD-CG1 3.91Å; C314-I425 HydrophobicContact CB-CG1 4.25Å; E421-I425 VanDerWaalsContact O-CG1 3.27Å; E421-I425 WeakPolarHBondContact O-CG1 3.28Å; E421-I425 PolarHBondContact O-N 2.79Å; D422-I425 PolarHBondContact O-N 3.18Å; I425-M429 VanDerWaalsContact O-CB 3.23Å; I425-M429 WeakPolarHBondContact O-CB 3.49Å; I425-M429 PolarHBondContact O-N 3.28Å
426L88.9Confident87.2Confident100 Ų10043.7 Ų43.752%0.52423%0.23SC..Hα-helixtrans-63.3-41.6178.1-70.9172.7000112D422 L423 F424 M429 E430D422-L426 VanDerWaalsContact O-CB 3.28Å; D422-L426 WeakPolarHBondContact O-CB 3.27Å; D422-L426 WeakPolarHBondContact O-CG 3.46Å; D422-L426 PolarHBondContact O-N 3.01Å; L423-L426 PolarHBondContact O-N 3.35Å; F424-L426 PolarHBondContact O-N 3.03Å; L426-M429 HydrophobicContact CD2-CE 3.71Å; L426-M429 PolarHBondContact O-N 2.83Å; L426-E430 WeakPolarHBondContact O-CB 3.49Å; L426-E430 PolarHBondContact O-N 2.88Å
427F94Very high88.4Confident13 Ų1346.4 Ų46.46%0.05724%0.239CC..Hα-helixtrans-60.5-50.8178.2177.5-94.5000112.5M282 K395 K398 L399 Q402 L423 F424 M429 E430 L431M282-F427 HydrophobicContact CE-CE1 4.17Å; K395-F427 HydrophobicContact CB-CZ 4.45Å; K395-F427 WeakPolarHBondContact O-CZ 3.29Å; K398-F427 HydrophobicContact CB-CE2 4.31Å; L399-F427 HydrophobicContact CB-CD1 4.24Å; L399-F427 HydrophobicContact CB-CE1 3.87Å; L399-F427 HydrophobicContact CB-CE2 4.18Å; L399-F427 HydrophobicContact CB-CZ 3.84Å; L399-F427 HydrophobicContact CD1-CB 3.73Å; L399-F427 HydrophobicContact CD1-CD1 3.49Å; L399-F427 VanDerWaalsContact CD1-CD1 3.49Å; L399-F427 HydrophobicContact CD1-CD2 3.93Å; L399-F427 HydrophobicContact CD1-CE1 4.02Å; L399-F427 HydrophobicContact CD1-CE2 4.41Å; L399-F427 HydrophobicContact CD1-CG 3.43Å; L399-F427 VanDerWaalsContact CD1-CG 3.43Å; L399-F427 HydrophobicContact CD1-CZ 4.46Å; L399-F427 HydrophobicContact CD2-CD1 4.1Å; L399-F427 HydrophobicContact CD2-CE1 4.12Å; L399-F427 HydrophobicContact CG-CD1 4.14Å; L399-F427 HydrophobicContact CG-CE1 4.22Å; L399-F427 HydrophobicContact CG-CG 4.46Å; Q402-F427 VanDerWaalsContact OE1-CD2 3.28Å; L423-F427 WeakPolarHBondContact O-CB 3.49Å; L423-F427 PolarHBondContact O-N 2.81Å; F424-F427 PolarHBondContact O-N 2.91Å; F427-M429 VanDerWaalsContact C-N 3.34Å; F427-M429 PolarHBondContact O-N 2.86Å; F427-E430 PolarHBondContact O-N 2.94Å; F427-L431 HydrophobicContact CD1-CD1 3.99Å; F427-L431 HydrophobicContact CE1-CD1 3.42Å; F427-L431 VanDerWaalsContact CE1-CD1 3.42Å; F427-L431 HydrophobicContact CE1-CG 4.21Å; F427-L431 HydrophobicContact CZ-CD1 3.91Å; F427-L431 HydrophobicContact CZ-CG 4.4Å; F427-L431 WeakPolarHBondContact O-CG 3.38Å; F427-L431 PolarHBondContact O-N 2.68Å
428F94.1Very high89.7Confident0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-67.7-35.2178-77.4-76.5000111.9I274 I281 M282 W285 L315 L399 F424 L431 N432I274-F428 HydrophobicContact CD1-CE2 3.96Å; I281-F428 HydrophobicContact CG1-CZ 4.06Å; I281-F428 HydrophobicContact CG2-CZ 4.32Å; M282-F428 HydrophobicContact CE-CE1 4.13Å; M282-F428 HydrophobicContact CE-CZ 3.94Å; M282-F428 HydrophobicContact SD-CE1 4.06Å; M282-F428 HydrophobicContact SD-CZ 4.4Å; W285-F428 HydrophobicContact CB-CD1 4.25Å; W285-F428 HydrophobicContact CB-CE1 3.83Å; W285-F428 AromaticContact CD1-CD1 3.52Å; W285-F428 AromaticContact CD1-CE1 3.98Å; W285-F428 HydrophobicContact CD2-CD1 4.38Å; W285-F428 HydrophobicContact CD2-CE1 4.35Å; W285-F428 AromaticContact CG-CD1 3.78Å; W285-F428 HydrophobicContact CG-CD1 3.78Å; W285-F428 AromaticContact CG-CE1 3.76Å; W285-F428 HydrophobicContact CG-CE1 3.76Å; W285-F428 AromaticContact NE1-CD1 3.95Å; L315-F428 HydrophobicContact CB-CD1 4.5Å; L315-F428 HydrophobicContact CB-CG 4.48Å; L315-F428 HydrophobicContact CD2-CD1 4.29Å; L315-F428 HydrophobicContact CD2-CD2 3.52Å; L315-F428 HydrophobicContact CD2-CE1 4.33Å; L315-F428 HydrophobicContact CD2-CE2 3.59Å; L315-F428 HydrophobicContact CD2-CG 3.9Å; L315-F428 HydrophobicContact CD2-CZ 4Å; L399-F428 HydrophobicContact CD2-CE2 3.91Å; L399-F428 HydrophobicContact CD2-CZ 4.17Å; F424-F428 WeakPolarHBondContact O-CD2 3.3Å; F424-F428 PolarHBondContact O-N 2.89Å; F424-F428 VanDerWaalsContact O-N 3.12Å; F428-L431 HydrophobicContact CD1-CD1 4.27Å; F428-L431 PolarHBondContact O-N 2.65Å; F428-N432 WeakPolarHBondContact O-CB 3.31Å; F428-N432 PolarHBondContact O-N 2.88Å; F428-N432 PolarHBondContact O-ND2 2.86Å
429M90Very high90.9Very high46 Ų4638.6 Ų38.623%0.22719%0.186CC..Hα-helixtrans-64.3-39.3174-172.9-178.371.300112.5N317 I425 L426 F427 N432 N433N317-M429 WeakPolarHBondContact O-CA 3.42Å; I425-M429 VanDerWaalsContact O-CB 3.23Å; I425-M429 WeakPolarHBondContact O-CB 3.49Å; I425-M429 PolarHBondContact O-N 3.28Å; L426-M429 HydrophobicContact CD2-CE 3.71Å; L426-M429 PolarHBondContact O-N 2.83Å; F427-M429 VanDerWaalsContact C-N 3.34Å; F427-M429 PolarHBondContact O-N 2.86Å; M429-N432 PolarHBondContact O-N 3.01Å; M429-N433 VanDerWaalsContact O-CB 3.23Å; M429-N433 WeakPolarHBondContact O-CB 3.06Å; M429-N433 PolarHBondContact O-N 2.92Å; M429-N433 PolarHBondContact O-ND2 3.12Å
430E92.8Very high91.3Very high120 Ų12039.3 Ų39.356%0.56119%0.194SC*.Hα-helixtrans-64.5-44174.5-170.9179.8176.200111.3L426 F427 N433 R434L426-E430 WeakPolarHBondContact O-CB 3.49Å; L426-E430 PolarHBondContact O-N 2.88Å; F427-E430 PolarHBondContact O-N 2.94Å; E430-N433 PolarHBondContact O-N 2.91Å; E430-R434 WeakPolarHBondContact O-CB 3.42Å; E430-R434 PolarHBondContact O-N 3.27Å
431L94.4Very high91.6Very high23 Ų2342.9 Ų42.912%0.1221%0.211CC..Hα-helixtrans-58.2-48.8173.8-70.5178.9000112W285 K395 F427 F428 R434 I435W285-L431 HydrophobicContact CZ2-CB 4.3Å; K395-L431 HydrophobicContact CD-CD1 4.17Å; K395-L431 HydrophobicContact CG-CD1 4.42Å; K395-L431 HydrophobicContact CG-CD2 4.43Å; F427-L431 HydrophobicContact CD1-CD1 3.99Å; F427-L431 HydrophobicContact CE1-CD1 3.42Å; F427-L431 VanDerWaalsContact CE1-CD1 3.42Å; F427-L431 HydrophobicContact CE1-CG 4.21Å; F427-L431 HydrophobicContact CZ-CD1 3.91Å; F427-L431 HydrophobicContact CZ-CG 4.4Å; F427-L431 WeakPolarHBondContact O-CG 3.38Å; F427-L431 PolarHBondContact O-N 2.68Å; F428-L431 HydrophobicContact CD1-CD1 4.27Å; F428-L431 PolarHBondContact O-N 2.65Å; L431-R434 PolarHBondContact O-N 2.79Å; L431-I435 WeakPolarHBondContact O-CG1 3.4Å; L431-I435 PolarHBondContact O-N 2.95Å
432N94.1Very high92.1Very high0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-64-46.7-179.3-66.5-21.9000111.6W285 L289 L315 N317 A318 F428 M429 R434 I435 F436W285-N432 PolarHBondContact NE1-OD1 3.02Å; L289-N432 HydrophobicContact CD1-CB 4.33Å; L289-N432 WeakPolarHBondContact CD1-OD1 3.42Å; L315-N432 PolarHBondContact O-ND2 3.01Å; N317-N432 WeakPolarHBondContact O-CB 3.13Å; N317-N432 PolarHBondContact O-ND2 3.44Å; A318-N432 HydrophobicContact CB-CB 4.1Å; F428-N432 WeakPolarHBondContact O-CB 3.31Å; F428-N432 PolarHBondContact O-N 2.88Å; F428-N432 PolarHBondContact O-ND2 2.86Å; M429-N432 PolarHBondContact O-N 3.01Å; N432-R434 VanDerWaalsContact C-N 3.31Å; N432-R434 PolarHBondContact O-N 3.09Å; N432-I435 PolarHBondContact O-N 3.18Å; N432-F436 HydrophobicContact CB-CE2 4.4Å; N432-F436 WeakPolarHBondContact O-CD2 3.37Å; N432-F436 PolarHBondContact O-N 3.22Å
433N91.6Very high92.4Very high27 Ų2741.2 Ų41.214%0.14421%0.209CC..Hα-helixtrans-58.8-44.5176-75.8-14.3000111.3A318 S319 I320 M429 E430 I435 F436 Q437A318-N433 WeakPolarHBondContact CA-OD1 3.36Å; S319-N433 PolarHBondContact N-OD1 2.8Å; S319-N433 PolarHBondContact OG-ND2 3.08Å; I320-N433 HydrophobicContact CD1-CB 4.45Å; I320-N433 WeakPolarHBondContact CD1-O 3.44Å; I320-N433 HydrophobicContact CG1-CB 4.43Å; M429-N433 VanDerWaalsContact O-CB 3.23Å; M429-N433 WeakPolarHBondContact O-CB 3.06Å; M429-N433 PolarHBondContact O-N 2.92Å; M429-N433 PolarHBondContact O-ND2 3.12Å; E430-N433 PolarHBondContact O-N 2.91Å; N433-I435 VanDerWaalsContact C-N 3.34Å; N433-I435 PolarHBondContact O-N 2.82Å; N433-F436 PolarHBondContact O-N 2.82Å; N433-Q437 WeakPolarHBondContact O-CB 3Å; N433-Q437 PolarHBondContact O-N 2.9Å
434R94.8Very high92.4Very high121 Ų12142.8 Ų42.846%0.45723%0.234SC..Hα-helixtrans-62-40.5179.9-176.5172.4174.6164.9-1.9112.4E430 L431 N432 T438 A457E430-R434 WeakPolarHBondContact O-CB 3.42Å; E430-R434 PolarHBondContact O-N 3.27Å; L431-R434 PolarHBondContact O-N 2.79Å; N432-R434 VanDerWaalsContact C-N 3.31Å; N432-R434 PolarHBondContact O-N 3.09Å; R434-T438 PolarHBondContact O-N 2.85Å; R434-T438 PolarHBondContact O-OG1 2.87Å; R434-A457 PolarHBondContact NE-O 2.99Å; R434-A457 PolarHBondContact NH2-O 3.29Å
435I95.2Very high92.5Very high1 Ų145.3 Ų45.31%0.00525%0.252CS..Hα-helixtrans-61.1-62.8171.8-68161.2000109.8W285 L289 L431 N432 N433 Q437 T438 L439 M458 L460 L472W285-I435 HydrophobicContact CH2-CD1 3.72Å; W285-I435 HydrophobicContact CZ2-CD1 3.6Å; L289-I435 HydrophobicContact CD2-CD1 4.35Å; L431-I435 WeakPolarHBondContact O-CG1 3.4Å; L431-I435 PolarHBondContact O-N 2.95Å; N432-I435 PolarHBondContact O-N 3.18Å; N433-I435 VanDerWaalsContact C-N 3.34Å; N433-I435 PolarHBondContact O-N 2.82Å; I435-Q437 VanDerWaalsContact C-N 3.29Å; I435-Q437 PolarHBondContact O-N 2.76Å; I435-T438 PolarHBondContact O-N 2.73Å; I435-L439 HydrophobicContact CG2-CD1 3.79Å; I435-L439 HydrophobicContact CG2-CG 4.31Å; I435-L439 WeakPolarHBondContact O-CG 3.42Å; I435-L439 PolarHBondContact O-N 3.06Å; I435-M458 HydrophobicContact CB-SD 4.38Å; I435-M458 HydrophobicContact CG1-CB 4.07Å; I435-M458 HydrophobicContact CG2-SD 4Å; I435-L460 HydrophobicContact CD1-CD2 4.31Å; I435-L472 HydrophobicContact CG2-CD2 3.66Å
436F93.4Very high92.5Very high1 Ų150.2 Ų50.20%0.00429%0.289CS..Hα-helixtrans-64.4-31.2-172.2-67.3-60.1000113.7L289 A318 I320 I323 N432 N433 L439 C440 L472 Y476L289-F436 HydrophobicContact CD1-CE2 3.97Å; L289-F436 HydrophobicContact CD1-CZ 4.11Å; L289-F436 HydrophobicContact CD2-CE2 4.45Å; L289-F436 HydrophobicContact CD2-CZ 4.25Å; L289-F436 HydrophobicContact CG-CE2 4.44Å; L289-F436 HydrophobicContact CG-CZ 4.15Å; A318-F436 HydrophobicContact CB-CD2 4.07Å; A318-F436 HydrophobicContact CB-CE2 4.18Å; I320-F436 HydrophobicContact CD1-CB 3.92Å; I323-F436 HydrophobicContact CD1-CB 3.66Å; I323-F436 HydrophobicContact CD1-CG 4.32Å; I323-F436 HydrophobicContact CG1-CB 4.29Å; I323-F436 HydrophobicContact CG1-CG 4.49Å; I323-F436 HydrophobicContact CG2-CB 4.44Å; I323-F436 HydrophobicContact CG2-CD1 3.98Å; I323-F436 HydrophobicContact CG2-CD2 3.96Å; I323-F436 HydrophobicContact CG2-CE1 4.2Å; I323-F436 HydrophobicContact CG2-CE2 4.18Å; I323-F436 HydrophobicContact CG2-CG 3.88Å; I323-F436 HydrophobicContact CG2-CZ 4.31Å; N432-F436 HydrophobicContact CB-CE2 4.4Å; N432-F436 WeakPolarHBondContact O-CD2 3.37Å; N432-F436 PolarHBondContact O-N 3.22Å; N433-F436 PolarHBondContact O-N 2.82Å; F436-L439 HydrophobicContact CD1-CD1 4.36Å; F436-L439 PolarHBondContact O-N 3.18Å; F436-C440 WeakPolarHBondContact O-CB 3.45Å; F436-C440 PolarHBondContact O-N 3.49Å; F436-C440 PolarHBondContact O-SG 3.15Å; F436-C440 VanDerWaalsContact O-SG 3.38Å; F436-L472 HydrophobicContact CE1-CD1 4.18Å; F436-L472 HydrophobicContact CE1-CD2 4.37Å; F436-L472 HydrophobicContact CE1-CG 4.41Å; F436-L472 HydrophobicContact CZ-CD1 4.23Å; F436-Y476 HydrophobicContact CD1-CD1 4.47Å; F436-Y476 AromaticContact CE1-CD1 3.67Å; F436-Y476 HydrophobicContact CE1-CD1 3.67Å; F436-Y476 HydrophobicContact CE1-CD2 4.1Å; F436-Y476 AromaticContact CE1-CE1 3.62Å; F436-Y476 HydrophobicContact CE1-CE1 3.62Å; F436-Y476 HydrophobicContact CE1-CE2 4.07Å; F436-Y476 AromaticContact CE1-CG 3.92Å; F436-Y476 HydrophobicContact CE1-CG 3.92Å; F436-Y476 AromaticContact CE1-CZ 3.83Å; F436-Y476 HydrophobicContact CE2-CE1 4.43Å; F436-Y476 HydrophobicContact CZ-CD1 4.1Å; F436-Y476 HydrophobicContact CZ-CD2 4.43Å; F436-Y476 AromaticContact CZ-CE1 3.53Å; F436-Y476 HydrophobicContact CZ-CE1 3.53Å; F436-Y476 AromaticContact CZ-CE2 3.93Å; F436-Y476 HydrophobicContact CZ-CE2 3.93Å; F436-Y476 AromaticContact CZ-CZ 3.44Å; F436-Y476 VanDerWaalsContact CZ-CZ 3.44Å
437Q92.9Very high92.6Very high100 Ų10050 Ų5047%0.46729%0.288SS..Hα-helixtrans-62.6-51.9174.1179.1174.1-1100110.8I320 N433 I435 L439 C440 E441I320-Q437 HydrophobicContact CD1-CB 3.9Å; N433-Q437 WeakPolarHBondContact O-CB 3Å; N433-Q437 PolarHBondContact O-N 2.9Å; I435-Q437 VanDerWaalsContact C-N 3.29Å; I435-Q437 PolarHBondContact O-N 2.76Å; Q437-L439 VanDerWaalsContact C-N 3.29Å; Q437-L439 PolarHBondContact O-N 2.69Å; Q437-C440 PolarHBondContact O-N 2.77Å; Q437-E441 HydrophobicContact CG-CG 4.38Å; Q437-E441 VanDerWaalsContact CG-OE1 3.25Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.44Å; Q437-E441 PolarHBondContact NE2-OE1 3.41Å; Q437-E441 WeakPolarHBondContact O-CB 3.32Å; Q437-E441 VanDerWaalsContact O-CG 3.3Å; Q437-E441 WeakPolarHBondContact O-CG 3.36Å; Q437-E441 PolarHBondContact O-N 3.43Å
438T94.3Very high92.5Very high21 Ų2151.6 Ų51.613%0.12930%0.3CS..Hα-helixtrans-61.1-38.3177.2-61.70000111.7R434 I435 E441 V442 H454 M458R434-T438 PolarHBondContact O-N 2.85Å; R434-T438 PolarHBondContact O-OG1 2.87Å; I435-T438 PolarHBondContact O-N 2.73Å; T438-E441 PolarHBondContact O-N 3.18Å; T438-V442 HydrophobicContact CG2-CG2 4.42Å; T438-V442 WeakPolarHBondContact O-CG2 3.29Å; T438-V442 PolarHBondContact O-N 2.96Å; T438-H454 HydrophobicContact CG2-CB 4.32Å; T438-M458 HydrophobicContact CG2-CG 3.79Å; T438-M458 HydrophobicContact CG2-SD 4.18Å
439L93.4Very high92.4Very high0 Ų052.7 Ų52.70%031%0.307CS..Hα-helixtrans-63.8-43.8175.9-62.6179.9000112.5I435 F436 Q437 V442 A443 I450 M458 L469 L472 L473 I478I435-L439 HydrophobicContact CG2-CD1 3.79Å; I435-L439 HydrophobicContact CG2-CG 4.31Å; I435-L439 WeakPolarHBondContact O-CG 3.42Å; I435-L439 PolarHBondContact O-N 3.06Å; F436-L439 HydrophobicContact CD1-CD1 4.36Å; F436-L439 PolarHBondContact O-N 3.18Å; Q437-L439 VanDerWaalsContact C-N 3.29Å; Q437-L439 PolarHBondContact O-N 2.69Å; L439-V442 PolarHBondContact O-N 2.9Å; L439-A443 VanDerWaalsContact O-CB 3.26Å; L439-A443 WeakPolarHBondContact O-CB 3.3Å; L439-A443 PolarHBondContact O-N 3.31Å; L439-I450 HydrophobicContact CD2-CD1 3.43Å; L439-I450 VanDerWaalsContact CD2-CD1 3.43Å; L439-M458 HydrophobicContact CD2-CE 4.01Å; L439-M458 HydrophobicContact CD2-SD 3.67Å; L439-M458 HydrophobicContact CG-SD 3.86Å; L439-L469 HydrophobicContact CD1-CD1 4.31Å; L439-L469 HydrophobicContact CD2-CD1 3.95Å; L439-L472 HydrophobicContact CD1-CD2 4.04Å; L439-L473 HydrophobicContact CD1-CD2 4.35Å; L439-L473 HydrophobicContact CD2-CD2 4.12Å; L439-I478 HydrophobicContact CB-CD1 4.08Å; L439-I478 HydrophobicContact CD1-CD1 4Å
440C90.6Very high92.6Very high61 Ų6150.5 Ų50.541%0.41230%0.296SS..Hα-helixtrans-67.2-36.5175.4-73.70000113F436 Q437 G444F436-C440 WeakPolarHBondContact O-CB 3.45Å; F436-C440 PolarHBondContact O-N 3.49Å; F436-C440 PolarHBondContact O-SG 3.15Å; F436-C440 VanDerWaalsContact O-SG 3.38Å; Q437-C440 PolarHBondContact O-N 2.77Å; C440-G444 PolarHBondContact O-N 2.84Å
441E92Very high92.6Very high111 Ų11147 Ų4752%0.51928%0.283SS..Hα-helixtrans-64.8-43.5175.5-74.8169.3179.300111.6Q437 T438 S445Q437-E441 HydrophobicContact CG-CG 4.38Å; Q437-E441 VanDerWaalsContact CG-OE1 3.25Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.44Å; Q437-E441 PolarHBondContact NE2-OE1 3.41Å; Q437-E441 WeakPolarHBondContact O-CB 3.32Å; Q437-E441 VanDerWaalsContact O-CG 3.3Å; Q437-E441 WeakPolarHBondContact O-CG 3.36Å; Q437-E441 PolarHBondContact O-N 3.43Å; T438-E441 PolarHBondContact O-N 3.18Å; E441-S445 PolarHBondContact O-N 3.44Å
442V93.6Very high92.6Very high10 Ų1047 Ų476%0.06129%0.286CS..Hα-helixtrans-67.9-47.2176173.10000111.3T438 L439 G444 S445 T449 I450 V480T438-V442 HydrophobicContact CG2-CG2 4.42Å; T438-V442 WeakPolarHBondContact O-CG2 3.29Å; T438-V442 PolarHBondContact O-N 2.96Å; L439-V442 PolarHBondContact O-N 2.9Å; V442-G444 VanDerWaalsContact C-N 3.26Å; V442-G444 PolarHBondContact O-N 2.83Å; V442-S445 VanDerWaalsContact O-CB 3.3Å; V442-S445 WeakPolarHBondContact O-CB 3.21Å; V442-S445 PolarHBondContact O-N 2.79Å; V442-S445 PolarHBondContact O-OG 2.9Å; V442-T449 WeakPolarHBondContact CG1-O 3.41Å; V442-I450 HydrophobicContact CG1-CG1 4.05Å; V442-V480 HydrophobicContact CG1-CG1 4.03Å
443A90.9Very high92.6Very high43 Ų4351.9 Ų51.936%0.35531%0.312SS..Hα-helixtrans-64.2-28.5179.400000113.3L439 S445 I478 V480L439-A443 VanDerWaalsContact O-CB 3.26Å; L439-A443 WeakPolarHBondContact O-CB 3.3Å; L439-A443 PolarHBondContact O-N 3.31Å; A443-S445 VanDerWaalsContact C-N 3.35Å; A443-I478 HydrophobicContact CB-CG2 4.1Å; A443-V480 HydrophobicContact CB-CG1 3.78Å
444G90.4Very high92.7Very high69 Ų6953.7 Ų53.771%0.71132%0.319SS*.THydrogen-bonded Turntrans-85.2-0.8173.800000115C440 V442C440-G444 PolarHBondContact O-N 2.84Å; V442-G444 VanDerWaalsContact C-N 3.26Å; V442-G444 PolarHBondContact O-N 2.83Å
445S92.5Very high92.7Very high55 Ų5547.9 Ų47.939%0.38530%0.298SS..SBendtrans-85.8172.3-177.181.50000113E441 V442 A443 D447E441-S445 PolarHBondContact O-N 3.44Å; V442-S445 VanDerWaalsContact O-CB 3.3Å; V442-S445 WeakPolarHBondContact O-CB 3.21Å; V442-S445 PolarHBondContact O-N 2.79Å; V442-S445 PolarHBondContact O-OG 2.9Å; A443-S445 VanDerWaalsContact C-N 3.35Å; S445-D447 VanDerWaalsContact C-N 3.26Å; S445-D447 PolarHBondContact O-N 2.89Å; S445-D447 VanDerWaalsContact OG-C 3.3Å; S445-D447 PolarHBondContact OG-N 3.09Å; S445-D447 PolarHBondContact OG-O 3.19Å
446S89.5Confident92.7Very high133 Ų13354.6 Ų54.693%0.9332%0.323SS*.SBendtrans-73.9-15.1175.355.60000114.4
447D90.4Very high92.7Very high95 Ų9556.6 Ų56.651%0.50834%0.34SS..SBendtrans-137.792.7177.2-179.540.1000108.5S445 T449S445-D447 VanDerWaalsContact C-N 3.26Å; S445-D447 PolarHBondContact O-N 2.89Å; S445-D447 VanDerWaalsContact OG-C 3.3Å; S445-D447 PolarHBondContact OG-N 3.09Å; S445-D447 PolarHBondContact OG-O 3.19Å; D447-T449 PolarHBondContact O-N 3.13Å; D447-T449 VanDerWaalsContact OD1-CG2 3.32Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.15Å; D447-T449 PolarHBondContact OD2-OG1 3.36Å
448P92Very high92.8Very high47 Ų4751.9 Ų51.931%0.30532%0.318SS..  trans-76.160.9-173.332.1-36.2000111.6V480 T481P448-V480 HydrophobicContact CB-CG1 4.12Å; P448-V480 CarbonylContact O-C 3.6Å; P448-V480 WeakPolarHBondContact O-CA 3.32Å; P448-V480 WeakPolarHBondContact O-CB 3.39Å; P448-T481 PolarHBondContact O-N 2.82Å
449T92.8Very high92.7Very high23 Ų2352 Ų5214%0.14132%0.324CS..EExtended strand (participates in β ladder)trans-110.3127.9-179.558.40000111.9V442 D447 H454 T481V442-T449 WeakPolarHBondContact CG1-O 3.41Å; D447-T449 PolarHBondContact O-N 3.13Å; D447-T449 VanDerWaalsContact OD1-CG2 3.32Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.15Å; D447-T449 PolarHBondContact OD2-OG1 3.36Å; T449-H454 PolarHBondContact O-CE1 2.8Å; T449-H454 VanDerWaalsContact O-CE1 3.31Å; T449-H454 PolarHBondContact O-ND1 3.03Å; T449-T481 CarbonylContact C-O 3.52Å; T449-T481 VanDerWaalsContact CA-O 3.31Å; T449-T481 WeakPolarHBondContact CA-O 3.38Å
450I93.4Very high92.8Very high0 Ų052.2 Ų52.20%033%0.325CS..EExtended strand (participates in β ladder)trans-91.6119.5171.9-65.5-177.5000108.9L439 V442 H454 M455 M458 L469 L473 V480 T481 L482 L483L439-I450 HydrophobicContact CD2-CD1 3.43Å; L439-I450 VanDerWaalsContact CD2-CD1 3.43Å; V442-I450 HydrophobicContact CG1-CG1 4.05Å; I450-H454 HydrophobicContact CG2-CB 4.09Å; I450-M455 HydrophobicContact CG2-CG 3.96Å; I450-M458 HydrophobicContact CG2-CE 4.49Å; I450-L469 HydrophobicContact CD1-CD2 4.23Å; I450-L469 HydrophobicContact CG2-CD2 4.01Å; I450-L473 HydrophobicContact CD1-CD1 4.26Å; I450-L473 HydrophobicContact CD1-CD2 4.32Å; I450-V480 HydrophobicContact CD1-CB 4.35Å; I450-V480 HydrophobicContact CD1-CG2 3.55Å; I450-V480 HydrophobicContact CG1-CB 4.3Å; I450-V480 HydrophobicContact CG1-CG2 4.01Å; I450-T481 PolarHBondContact N-O 2.79Å; I450-L482 HydrophobicContact CB-CD2 3.71Å; I450-L482 HydrophobicContact CB-CG 4.43Å; I450-L482 HydrophobicContact CD1-CD2 4.23Å; I450-L482 HydrophobicContact CG2-CD2 3.62Å; I450-L483 CarbonylContact O-C 3.47Å; I450-L483 PolarHBondContact O-N 3.27Å
451T93.6Very high93Very high46 Ų4651.5 Ų51.528%0.28232%0.316SS..  trans-99.2169.1176.766.70000111.3D453 H454 M455T451-D453 PolarHBondContact O-N 2.85Å; T451-D453 PolarHBondContact OG1-N 3.24Å; T451-H454 PolarHBondContact N-ND1 2.75Å; T451-H454 PolarHBondContact O-N 2.73Å; T451-H454 VanDerWaalsContact O-N 3.14Å; T451-H454 PolarHBondContact OG1-N 2.81Å; T451-H454 VanDerWaalsContact OG1-N 3.16Å; T451-M455 PolarHBondContact O-N 3Å; T451-M455 VanDerWaalsContact O-N 3.09Å
452A93.8Very high93.1Very high23 Ų2347 Ų4719%0.1930%0.297CS..Hα-helixtrans-58.5-29.2170.700000113M455 R456 P462A452-M455 PolarHBondContact O-N 2.88Å; A452-R456 VanDerWaalsContact O-CG 3.32Å; A452-R456 WeakPolarHBondContact O-CG 3.35Å; A452-R456 PolarHBondContact O-N 2.91Å; A452-P462 HydrophobicContact CB-CB 3.95Å; A452-P462 HydrophobicContact CB-CG 4.06Å
453D92.9Very high92.9Very high103 Ų10351.3 Ų51.355%0.55132%0.317SS*.Hα-helixtrans-75.5-35176-71-34.5000112.3T451 M455 R456 A457T451-D453 PolarHBondContact O-N 2.85Å; T451-D453 PolarHBondContact OG1-N 3.24Å; D453-M455 VanDerWaalsContact C-N 3.32Å; D453-M455 PolarHBondContact O-N 3.45Å; D453-R456 PolarHBondContact O-N 2.84Å; D453-R456 IonicContact OD1-CZ 3.3Å; D453-R456 IonicContact OD1-NH1 2.77Å; D453-R456 PolarHBondContact OD1-NH1 3.39Å; D453-A457 WeakPolarHBondContact O-CB 3.3Å; D453-A457 PolarHBondContact O-N 3.21Å
454H94.5Very high92.9Very high64 Ų6451 Ų5130%0.29632%0.318SS..Hα-helixtrans-61.1-41.4169-61.3160.6000110.9T438 T449 I450 T451 A457 M458T438-H454 HydrophobicContact CG2-CB 4.32Å; T449-H454 PolarHBondContact O-CE1 2.8Å; T449-H454 VanDerWaalsContact O-CE1 3.31Å; T449-H454 PolarHBondContact O-ND1 3.03Å; I450-H454 HydrophobicContact CG2-CB 4.09Å; T451-H454 PolarHBondContact N-ND1 2.75Å; T451-H454 PolarHBondContact O-N 2.73Å; T451-H454 VanDerWaalsContact O-N 3.14Å; T451-H454 PolarHBondContact OG1-N 2.81Å; T451-H454 VanDerWaalsContact OG1-N 3.16Å; H454-A457 WeakPolarHBondContact O-CB 3.41Å; H454-A457 PolarHBondContact O-N 3.49Å; H454-M458 WeakPolarHBondContact O-CG 3.44Å; H454-M458 PolarHBondContact O-N 3.23Å
455M94.9Very high93.2Very high0 Ų047.8 Ų47.80%028%0.284CS..Hα-helixtrans-64.4-45.7175.5-68.4-172.473.200113.2I450 T451 A452 D453 A457 M458 G459 L460 D461 P462 D465 L469 I484I450-M455 HydrophobicContact CG2-CG 3.96Å; T451-M455 PolarHBondContact O-N 3Å; T451-M455 VanDerWaalsContact O-N 3.09Å; A452-M455 PolarHBondContact O-N 2.88Å; D453-M455 VanDerWaalsContact C-N 3.32Å; D453-M455 PolarHBondContact O-N 3.45Å; M455-A457 VanDerWaalsContact C-N 3.29Å; M455-A457 PolarHBondContact O-N 2.89Å; M455-M458 HydrophobicContact CG-CE 4.19Å; M455-M458 CarbonylContact O-C 3.55Å; M455-M458 WeakPolarHBondContact O-CB 3.42Å; M455-M458 PolarHBondContact O-N 3.46Å; M455-M458 VanDerWaalsContact O-N 3.12Å; M455-G459 PolarHBondContact O-N 3.15Å; M455-L460 CarbonylContact C-O 3.46Å; M455-L460 HydrophobicContact CB-CB 4.42Å; M455-L460 HydrophobicContact CE-CB 4.3Å; M455-L460 PolarHBondContact O-N 3.27Å; M455-D461 WeakPolarHBondContact CE-O 3.15Å; M455-P462 HydrophobicContact CB-CG 4.27Å; M455-P462 HydrophobicContact SD-CB 4.38Å; M455-D465 HydrophobicContact CE-CB 4.19Å; M455-L469 HydrophobicContact CE-CB 4.37Å; M455-L469 HydrophobicContact CE-CD2 3.88Å; M455-L469 HydrophobicContact CG-CD2 3.76Å; M455-L469 HydrophobicContact SD-CD2 3.92Å; M455-I484 HydrophobicContact CE-CD1 4.49Å; M455-I484 HydrophobicContact SD-CD1 3.4Å; M455-I484 WeakPolarHBondContact SD-CD1 3.45Å; M455-I484 HydrophobicContact SD-CG1 3.84Å
456R94.1Very high93.2Very high141 Ų14148.5 Ų48.553%0.53228%0.279SS..Hα-helixtrans-61.4-39.1173-68.4168.5-168.8129.74111.7A452 D453 M458 G459 P462A452-R456 VanDerWaalsContact O-CG 3.32Å; A452-R456 WeakPolarHBondContact O-CG 3.35Å; A452-R456 PolarHBondContact O-N 2.91Å; D453-R456 PolarHBondContact O-N 2.84Å; D453-R456 IonicContact OD1-CZ 3.3Å; D453-R456 IonicContact OD1-NH1 2.77Å; D453-R456 PolarHBondContact OD1-NH1 3.39Å; R456-M458 VanDerWaalsContact C-N 3.26Å; R456-M458 PolarHBondContact O-N 2.82Å; R456-G459 PolarHBondContact O-N 3.4Å; R456-P462 HydrophobicContact CG-CG 4.01Å
457A93.7Very high93.4Very high43 Ų4343.5 Ų43.536%0.35524%0.243SC..Hα-helixtrans-63.5-31.7175.700000111.9R434 D453 H454 M455 G459R434-A457 PolarHBondContact NE-O 2.99Å; R434-A457 PolarHBondContact NH2-O 3.29Å; D453-A457 WeakPolarHBondContact O-CB 3.3Å; D453-A457 PolarHBondContact O-N 3.21Å; H454-A457 WeakPolarHBondContact O-CB 3.41Å; H454-A457 PolarHBondContact O-N 3.49Å; M455-A457 VanDerWaalsContact C-N 3.29Å; M455-A457 PolarHBondContact O-N 2.89Å; A457-G459 VanDerWaalsContact C-N 3.32Å
458M94.9Very high93.6Very high1 Ų139 Ų391%0.00522%0.219CC..THydrogen-bonded Turntrans-78.3-8.6170.5-68.7-173.9-72.700114.4I435 T438 L439 I450 H454 M455 R456 L460 L469I435-M458 HydrophobicContact CB-SD 4.38Å; I435-M458 HydrophobicContact CG1-CB 4.07Å; I435-M458 HydrophobicContact CG2-SD 4Å; T438-M458 HydrophobicContact CG2-CG 3.79Å; T438-M458 HydrophobicContact CG2-SD 4.18Å; L439-M458 HydrophobicContact CD2-CE 4.01Å; L439-M458 HydrophobicContact CD2-SD 3.67Å; L439-M458 HydrophobicContact CG-SD 3.86Å; I450-M458 HydrophobicContact CG2-CE 4.49Å; H454-M458 WeakPolarHBondContact O-CG 3.44Å; H454-M458 PolarHBondContact O-N 3.23Å; M455-M458 HydrophobicContact CG-CE 4.19Å; M455-M458 CarbonylContact O-C 3.55Å; M455-M458 WeakPolarHBondContact O-CB 3.42Å; M455-M458 PolarHBondContact O-N 3.46Å; M455-M458 VanDerWaalsContact O-N 3.12Å; R456-M458 VanDerWaalsContact C-N 3.26Å; R456-M458 PolarHBondContact O-N 2.82Å; M458-L460 HydrophobicContact CB-CD1 4.25Å; M458-L460 HydrophobicContact CB-CG 4.07Å; M458-L460 HydrophobicContact CE-CD1 4.27Å; M458-L469 HydrophobicContact CE-CD1 4.35Å; M458-L469 HydrophobicContact CE-CD2 3.82Å
459G93.4Very high93.8Very high25 Ų2536.7 Ų36.726%0.25821%0.205SC..THydrogen-bonded Turntrans79.220.2-174.100000114.2K395 M455 R456 A457K395-G459 WeakPolarHBondContact CE-O 3.5Å; K395-G459 PolarHBondContact NZ-O 2.71Å; K395-G459 VanDerWaalsContact NZ-O 3.16Å; M455-G459 PolarHBondContact O-N 3.15Å; R456-G459 PolarHBondContact O-N 3.4Å; A457-G459 VanDerWaalsContact C-N 3.32Å
460L95.8Very high93.8Very high4 Ų439.2 Ų39.22%0.02121%0.214CC..  trans-100.5150.4178.4-59.2-177.6000111W285 I435 M455 M458 D465 F468W285-L460 HydrophobicContact CH2-CD2 4.31Å; I435-L460 HydrophobicContact CD1-CD2 4.31Å; M455-L460 CarbonylContact C-O 3.46Å; M455-L460 HydrophobicContact CB-CB 4.42Å; M455-L460 HydrophobicContact CE-CB 4.3Å; M455-L460 PolarHBondContact O-N 3.27Å; M458-L460 HydrophobicContact CB-CD1 4.25Å; M458-L460 HydrophobicContact CB-CG 4.07Å; M458-L460 HydrophobicContact CE-CD1 4.27Å; L460-D465 WeakPolarHBondContact CA-OD2 3.46Å; L460-D465 HydrophobicContact CB-CB 3.87Å; L460-D465 HydrophobicContact CD2-CB 4.32Å; L460-D465 HydrophobicContact CG-CB 4.48Å; L460-F468 HydrophobicContact CD1-CD1 4.18Å; L460-F468 HydrophobicContact CD1-CE1 4.15Å; L460-F468 HydrophobicContact CD2-CD1 4.12Å; L460-F468 HydrophobicContact CD2-CE1 3.87Å
461D94.5Very high93.9Very high45 Ų4540.2 Ų40.224%0.24122%0.22CC..  trans-78.5122.5171.5-171.2-73000110.4N389 A391 M455 Q463 G464 D465N389-D461 HydrophobicContact CB-CB 4.29Å; A391-D461 HydrophobicContact CB-CB 4.06Å; M455-D461 WeakPolarHBondContact CE-O 3.15Å; D461-Q463 PolarHBondContact O-N 3.32Å; D461-Q463 PolarHBondContact OD1-N 3.12Å; D461-G464 PolarHBondContact OD1-N 3.46Å; D461-D465 PolarHBondContact N-OD2 3.11Å; D461-D465 WeakPolarHBondContact O-CB 3.32Å; D461-D465 PolarHBondContact O-N 2.93Å
462P92.9Very high93.9Very high18 Ų1838 Ų3812%0.11721%0.207CC..THydrogen-bonded Turntrans-57.8-24.4-175.8-28.136.2000115.7A452 M455 R456 I484A452-P462 HydrophobicContact CB-CB 3.95Å; A452-P462 HydrophobicContact CB-CG 4.06Å; M455-P462 HydrophobicContact CB-CG 4.27Å; M455-P462 HydrophobicContact SD-CB 4.38Å; R456-P462 HydrophobicContact CG-CG 4.01Å; P462-I484 HydrophobicContact CB-CG2 4.3Å
463Q90.4Very high93.9Very high100 Ų10037.6 Ų37.647%0.46720%0.201SC..THydrogen-bonded Turntrans-107.2-44.6-179.2-67.8-68.4-16.200111.1D461 N486D461-Q463 PolarHBondContact O-N 3.32Å; D461-Q463 PolarHBondContact OD1-N 3.12Å; Q463-N486 PolarHBondContact NE2-OD1 3Å
464G91.3Very high93.8Very high37 Ų3740.3 Ų40.338%0.38121%0.21SC..THydrogen-bonded Turntrans-70.2-35.8-179.400000114.3D461D461-G464 PolarHBondContact OD1-N 3.46Å
465D94.9Very high93.6Very high0 Ų039.4 Ų39.40%021%0.209CC..THydrogen-bonded Turntrans-99.510.5-178.5-68.4-41.4000113.4K286 N389 M455 L460 D461 F468 L469K286-D465 WeakPolarHBondContact CE-OD1 3.35Å; K286-D465 IonicContact NZ-OD1 3.54Å; K286-D465 PolarHBondContact NZ-OD1 3.43Å; N389-D465 PolarHBondContact ND2-OD1 3.27Å; N389-D465 PolarHBondContact ND2-OD2 3.35Å; M455-D465 HydrophobicContact CE-CB 4.19Å; L460-D465 WeakPolarHBondContact CA-OD2 3.46Å; L460-D465 HydrophobicContact CB-CB 3.87Å; L460-D465 HydrophobicContact CD2-CB 4.32Å; L460-D465 HydrophobicContact CG-CB 4.48Å; D461-D465 PolarHBondContact N-OD2 3.11Å; D461-D465 WeakPolarHBondContact O-CB 3.32Å; D461-D465 PolarHBondContact O-N 2.93Å; D465-F468 HydrophobicContact CB-CB 4.42Å; D465-F468 HydrophobicContact CB-CD1 4.36Å; D465-F468 WeakPolarHBondContact O-CB 3.48Å; D465-F468 PolarHBondContact O-N 3.16Å; D465-L469 WeakPolarHBondContact O-CB 3.36Å; D465-L469 PolarHBondContact O-N 2.96Å
466R92.8Very high93.4Very high71 Ų7140 Ų4027%0.26821%0.212SC..Hα-helixtrans-58.6-51.8178.5178175.9175.3129.517.2112.1F468 L469 E470 I484R466-F468 VanDerWaalsContact C-N 3.32Å; R466-F468 PolarHBondContact O-N 2.95Å; R466-L469 PolarHBondContact O-N 3.23Å; R466-L469 VanDerWaalsContact O-N 3.15Å; R466-E470 HydrophobicContact CG-CG 4.5Å; R466-E470 IonicContact CZ-OE1 3.88Å; R466-E470 VanDerWaalsContact CZ-OE1 3.3Å; R466-E470 IonicContact NE-OE1 2.82Å; R466-E470 PolarHBondContact NE-OE1 2.69Å; R466-E470 IonicContact NH2-OE1 2.77Å; R466-E470 PolarHBondContact NH2-OE1 3.46Å; R466-E470 WeakPolarHBondContact O-CG 3.45Å; R466-E470 PolarHBondContact O-N 2.99Å; R466-I484 HydrophobicContact CB-CD1 4.21Å; R466-I484 HydrophobicContact CG-CD1 3.8Å
467S93.4Very high93.1Very high27 Ų2736.4 Ų36.419%0.18922%0.218CC..Hα-helixtrans-63.1-37.1178.254.70000112.8L469 E470 D471S467-L469 VanDerWaalsContact C-N 3.32Å; S467-L469 PolarHBondContact O-N 3.47Å; S467-E470 PolarHBondContact O-N 3.09Å; S467-D471 WeakPolarHBondContact O-CB 3.3Å; S467-D471 PolarHBondContact O-N 2.95Å
468F96Very high92.9Very high0 Ų035.8 Ų35.80%021%0.208CC..Hα-helixtrans-59.7-43.8172.8169.1-113.4000111.6W285 K286 L289 L290 L385 L460 D465 R466 L472W285-F468 HydrophobicContact CH2-CE1 4.48Å; W285-F468 HydrophobicContact CH2-CZ 4.46Å; K286-F468 HydrophobicContact CB-CD2 3.66Å; K286-F468 HydrophobicContact CB-CE2 3.57Å; K286-F468 HydrophobicContact CB-CZ 4.36Å; K286-F468 HydrophobicContact CD-CD2 4.12Å; K286-F468 HydrophobicContact CD-CG 4.18Å; K286-F468 HydrophobicContact CG-CD1 4.49Å; K286-F468 HydrophobicContact CG-CD2 3.72Å; K286-F468 HydrophobicContact CG-CE1 4.42Å; K286-F468 HydrophobicContact CG-CE2 3.64Å; K286-F468 HydrophobicContact CG-CG 4.15Å; K286-F468 HydrophobicContact CG-CZ 3.99Å; L289-F468 HydrophobicContact CD2-CZ 3.92Å; L290-F468 HydrophobicContact CD1-CD2 3.92Å; L290-F468 HydrophobicContact CD1-CE2 4.35Å; L290-F468 HydrophobicContact CD2-CD2 4.19Å; L290-F468 HydrophobicContact CD2-CE2 4.15Å; L290-F468 HydrophobicContact CG-CD2 3.95Å; L290-F468 HydrophobicContact CG-CE2 3.9Å; L385-F468 HydrophobicContact CD2-CB 3.56Å; L385-F468 HydrophobicContact CD2-CD2 4.48Å; L460-F468 HydrophobicContact CD1-CD1 4.18Å; L460-F468 HydrophobicContact CD1-CE1 4.15Å; L460-F468 HydrophobicContact CD2-CD1 4.12Å; L460-F468 HydrophobicContact CD2-CE1 3.87Å; D465-F468 HydrophobicContact CB-CB 4.42Å; D465-F468 HydrophobicContact CB-CD1 4.36Å; D465-F468 WeakPolarHBondContact O-CB 3.48Å; D465-F468 PolarHBondContact O-N 3.16Å; R466-F468 VanDerWaalsContact C-N 3.32Å; R466-F468 PolarHBondContact O-N 2.95Å; F468-L472 HydrophobicContact CZ-CD2 4.45Å; F468-L472 VanDerWaalsContact O-CB 3.29Å; F468-L472 WeakPolarHBondContact O-CB 3.47Å; F468-L472 PolarHBondContact O-N 3.47Å
469L95.5Very high92.5Very high0 Ų042.7 Ų42.70%025%0.245CC..Hα-helixtrans-72.2-39.5-179.6-17653.9000112L439 I450 M455 M458 D465 R466 S467 L472 L473 L482L439-L469 HydrophobicContact CD1-CD1 4.31Å; L439-L469 HydrophobicContact CD2-CD1 3.95Å; I450-L469 HydrophobicContact CD1-CD2 4.23Å; I450-L469 HydrophobicContact CG2-CD2 4.01Å; M455-L469 HydrophobicContact CE-CB 4.37Å; M455-L469 HydrophobicContact CE-CD2 3.88Å; M455-L469 HydrophobicContact CG-CD2 3.76Å; M455-L469 HydrophobicContact SD-CD2 3.92Å; M458-L469 HydrophobicContact CE-CD1 4.35Å; M458-L469 HydrophobicContact CE-CD2 3.82Å; D465-L469 WeakPolarHBondContact O-CB 3.36Å; D465-L469 PolarHBondContact O-N 2.96Å; R466-L469 PolarHBondContact O-N 3.23Å; R466-L469 VanDerWaalsContact O-N 3.15Å; S467-L469 VanDerWaalsContact C-N 3.32Å; S467-L469 PolarHBondContact O-N 3.47Å; L469-L472 HydrophobicContact CD1-CD2 4.4Å; L469-L472 PolarHBondContact O-N 3.14Å; L469-L473 HydrophobicContact CD1-CG 4.25Å; L469-L473 HydrophobicContact CG-CD1 4.43Å; L469-L473 VanDerWaalsContact O-CG 3.25Å; L469-L473 WeakPolarHBondContact O-CG 3.43Å; L469-L473 PolarHBondContact O-N 3.24Å; L469-L482 HydrophobicContact CD2-CD2 3.71Å; L469-L482 HydrophobicContact CG-CD2 4.13Å
470E93.7Very high92.3Very high75 Ų7542.3 Ų42.335%0.3524%0.238SC..Hα-helixtrans-57-51.6172.8-72.6169.1171.200111R466 S467 L472 L473 E474 L482R466-E470 HydrophobicContact CG-CG 4.5Å; R466-E470 IonicContact CZ-OE1 3.88Å; R466-E470 VanDerWaalsContact CZ-OE1 3.3Å; R466-E470 IonicContact NE-OE1 2.82Å; R466-E470 PolarHBondContact NE-OE1 2.69Å; R466-E470 IonicContact NH2-OE1 2.77Å; R466-E470 PolarHBondContact NH2-OE1 3.46Å; R466-E470 WeakPolarHBondContact O-CG 3.45Å; R466-E470 PolarHBondContact O-N 2.99Å; S467-E470 PolarHBondContact O-N 3.09Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 PolarHBondContact O-N 2.63Å; E470-L473 PolarHBondContact O-N 3.39Å; E470-E474 PolarHBondContact O-N 2.99Å; E470-L482 HydrophobicContact CB-CD1 4.4Å; E470-L482 HydrophobicContact CG-CD1 3.32Å
471D94.1Very high91.9Very high22 Ų2246.2 Ų46.212%0.11826%0.262CS..Hα-helixtrans-58.4-39173.6-93.747.5000112.4L290 K292 S467 E474 V475L290-D471 HydrophobicContact CD1-CB 3.74Å; L290-D471 HydrophobicContact CD2-CB 3.69Å; L290-D471 HydrophobicContact CG-CB 4.35Å; K292-D471 WeakPolarHBondContact CE-OD2 3.4Å; K292-D471 IonicContact NZ-OD2 3.65Å; K292-D471 PolarHBondContact NZ-OD2 3.36Å; S467-D471 WeakPolarHBondContact O-CB 3.3Å; S467-D471 PolarHBondContact O-N 2.95Å; D471-E474 PolarHBondContact O-N 3.45Å; D471-V475 WeakPolarHBondContact O-CB 3.41Å; D471-V475 VanDerWaalsContact O-CG2 3.25Å; D471-V475 WeakPolarHBondContact O-CG2 3.48Å; D471-V475 PolarHBondContact O-N 3.24Å
472L94Very high91.6Very high0 Ų045.6 Ų45.60%026%0.259CS..Hα-helixtrans-69.1-39.9-177.3-172.570.7000111.8L289 L290 I435 F436 L439 F468 L469 E470 Y476L289-L472 HydrophobicContact CD2-CD1 4.07Å; L289-L472 HydrophobicContact CD2-CD2 4.4Å; L289-L472 HydrophobicContact CG-CD1 4.1Å; L290-L472 VanDerWaalsContact CD2-CA 3.44Å; L290-L472 HydrophobicContact CD2-CB 3.71Å; L290-L472 HydrophobicContact CD2-CD1 3.9Å; L290-L472 HydrophobicContact CD2-CG 4.44Å; L290-L472 VanDerWaalsContact CD2-N 3.34Å; I435-L472 HydrophobicContact CG2-CD2 3.66Å; F436-L472 HydrophobicContact CE1-CD1 4.18Å; F436-L472 HydrophobicContact CE1-CD2 4.37Å; F436-L472 HydrophobicContact CE1-CG 4.41Å; F436-L472 HydrophobicContact CZ-CD1 4.23Å; L439-L472 HydrophobicContact CD1-CD2 4.04Å; F468-L472 HydrophobicContact CZ-CD2 4.45Å; F468-L472 VanDerWaalsContact O-CB 3.29Å; F468-L472 WeakPolarHBondContact O-CB 3.47Å; F468-L472 PolarHBondContact O-N 3.47Å; L469-L472 HydrophobicContact CD1-CD2 4.4Å; L469-L472 PolarHBondContact O-N 3.14Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 PolarHBondContact O-N 2.63Å; L472-Y476 HydrophobicContact CD1-CD2 3.67Å; L472-Y476 HydrophobicContact CD1-CE2 3.59Å; L472-Y476 HydrophobicContact CG-CD2 4.28Å; L472-Y476 WeakPolarHBondContact O-CB 3.34Å; L472-Y476 WeakPolarHBondContact O-CD2 3.33Å; L472-Y476 PolarHBondContact O-N 3.23Å
473L93.4Very high91.1Very high13 Ų1349 Ų497%0.06828%0.275CS..Hα-helixtrans-64.3-42.4175.9-67.5172.6000111.3L439 I450 L469 E470 G477 I478 V480 L482L439-L473 HydrophobicContact CD1-CD2 4.35Å; L439-L473 HydrophobicContact CD2-CD2 4.12Å; I450-L473 HydrophobicContact CD1-CD1 4.26Å; I450-L473 HydrophobicContact CD1-CD2 4.32Å; L469-L473 HydrophobicContact CD1-CG 4.25Å; L469-L473 HydrophobicContact CG-CD1 4.43Å; L469-L473 VanDerWaalsContact O-CG 3.25Å; L469-L473 WeakPolarHBondContact O-CG 3.43Å; L469-L473 PolarHBondContact O-N 3.24Å; E470-L473 PolarHBondContact O-N 3.39Å; L473-G477 WeakPolarHBondContact O-CA 3.48Å; L473-G477 PolarHBondContact O-N 3.48Å; L473-I478 HydrophobicContact CD2-CB 3.72Å; L473-I478 HydrophobicContact CD2-CG2 3.73Å; L473-I478 PolarHBondContact O-N 3.09Å; L473-V480 HydrophobicContact CD1-CG2 3.53Å; L473-V480 HydrophobicContact CD2-CG2 3.41Å; L473-V480 VanDerWaalsContact CD2-CG2 3.41Å; L473-V480 HydrophobicContact CG-CG2 4.08Å; L473-L482 HydrophobicContact CD1-CD1 3.71Å; L473-L482 HydrophobicContact CD1-CG 4.07Å
474E91.9Very high90.2Very high161 Ų16144.7 Ų44.775%0.75226%0.256SS*.Hα-helixtrans-62.2-52.7175.2-174.2-177.8171.700111.3E470 D471 Y476 G477E470-E474 PolarHBondContact O-N 2.99Å; D471-E474 PolarHBondContact O-N 3.45Å; E474-Y476 VanDerWaalsContact C-N 3.28Å; E474-Y476 PolarHBondContact O-N 3Å; E474-G477 PolarHBondContact O-N 3.08Å
475V90.9Very high88.6Confident44 Ų4448.4 Ų48.427%0.26727%0.267SS..Hα-helixtrans-60-37.6-177.4168.90000112.1R291 V327 D471R291-V475 HydrophobicContact CB-CG1 4.35Å; R291-V475 HydrophobicContact CG-CG1 4.18Å; V327-V475 HydrophobicContact CG1-CG1 3.75Å; V327-V475 VanDerWaalsContact CG2-O 3.3Å; V327-V475 WeakPolarHBondContact CG2-O 3.27Å; D471-V475 WeakPolarHBondContact O-CB 3.41Å; D471-V475 VanDerWaalsContact O-CG2 3.25Å; D471-V475 WeakPolarHBondContact O-CG2 3.48Å; D471-V475 PolarHBondContact O-N 3.24Å
476Y90.2Very high86.6Confident14 Ų1453.5 Ų53.56%0.05529%0.294CS..Hα-helixtrans-94.4-5.2-178.1-75.9-103.2000114.2L289 R291 I323 V327 F436 L472 E474L289-Y476 WeakPolarHBondContact O-CE2 3.43Å; L289-Y476 PolarHBondContact O-OH 2.9Å; R291-Y476 PolarHBondContact NE-OH 2.99Å; R291-Y476 PolarHBondContact NH2-OH 3.44Å; I323-Y476 HydrophobicContact CG2-CD1 4.08Å; I323-Y476 HydrophobicContact CG2-CE1 3.85Å; V327-Y476 HydrophobicContact CG2-CD1 3.86Å; V327-Y476 HydrophobicContact CG2-CE1 4.22Å; V327-Y476 HydrophobicContact CG2-CG 4.06Å; F436-Y476 HydrophobicContact CD1-CD1 4.47Å; F436-Y476 AromaticContact CE1-CD1 3.67Å; F436-Y476 HydrophobicContact CE1-CD1 3.67Å; F436-Y476 HydrophobicContact CE1-CD2 4.1Å; F436-Y476 AromaticContact CE1-CE1 3.62Å; F436-Y476 HydrophobicContact CE1-CE1 3.62Å; F436-Y476 HydrophobicContact CE1-CE2 4.07Å; F436-Y476 AromaticContact CE1-CG 3.92Å; F436-Y476 HydrophobicContact CE1-CG 3.92Å; F436-Y476 AromaticContact CE1-CZ 3.83Å; F436-Y476 HydrophobicContact CE2-CE1 4.43Å; F436-Y476 HydrophobicContact CZ-CD1 4.1Å; F436-Y476 HydrophobicContact CZ-CD2 4.43Å; F436-Y476 AromaticContact CZ-CE1 3.53Å; F436-Y476 HydrophobicContact CZ-CE1 3.53Å; F436-Y476 AromaticContact CZ-CE2 3.93Å; F436-Y476 HydrophobicContact CZ-CE2 3.93Å; F436-Y476 AromaticContact CZ-CZ 3.44Å; F436-Y476 VanDerWaalsContact CZ-CZ 3.44Å; L472-Y476 HydrophobicContact CD1-CD2 3.67Å; L472-Y476 HydrophobicContact CD1-CE2 3.59Å; L472-Y476 HydrophobicContact CG-CD2 4.28Å; L472-Y476 WeakPolarHBondContact O-CB 3.34Å; L472-Y476 WeakPolarHBondContact O-CD2 3.33Å; L472-Y476 PolarHBondContact O-N 3.23Å; E474-Y476 VanDerWaalsContact C-N 3.28Å; E474-Y476 PolarHBondContact O-N 3Å
477G88.4Confident84.3Confident65 Ų6557.9 Ų57.967%0.6732%0.322SS*.THydrogen-bonded Turntrans6638.8179.200000113.7L473 E474L473-G477 WeakPolarHBondContact O-CA 3.48Å; L473-G477 PolarHBondContact O-N 3.48Å; E474-G477 PolarHBondContact O-N 3.08Å
478I88.3Confident81.8Confident29 Ų2961.9 Ų61.915%0.14935%0.349CS..  trans-96.1111.4-177.1-59.8174.1000109.2L439 A443 L473 V480L439-I478 HydrophobicContact CB-CD1 4.08Å; L439-I478 HydrophobicContact CD1-CD1 4Å; A443-I478 HydrophobicContact CB-CG2 4.1Å; L473-I478 HydrophobicContact CD2-CB 3.72Å; L473-I478 HydrophobicContact CD2-CG2 3.73Å; L473-I478 PolarHBondContact O-N 3.09Å; I478-V480 HydrophobicContact CG2-CG1 4.11Å; I478-V480 HydrophobicContact CG2-CG2 4.29Å; I478-V480 PolarHBondContact O-N 3.48Å
479D86.8Confident79.2Confident146 Ų14667.9 Ų67.978%0.78139%0.389SS*.  trans-83.498.9-177.5-17116000111.7
480V89.4Confident76.2Confident18 Ų1877.5 Ų77.511%0.10946%0.456CS..  trans-149.5149.1178.6-65.70000110.5V442 A443 P448 I450 L473 I478V442-V480 HydrophobicContact CG1-CG1 4.03Å; A443-V480 HydrophobicContact CB-CG1 3.78Å; P448-V480 HydrophobicContact CB-CG1 4.12Å; P448-V480 CarbonylContact O-C 3.6Å; P448-V480 WeakPolarHBondContact O-CA 3.32Å; P448-V480 WeakPolarHBondContact O-CB 3.39Å; I450-V480 HydrophobicContact CD1-CB 4.35Å; I450-V480 HydrophobicContact CD1-CG2 3.55Å; I450-V480 HydrophobicContact CG1-CB 4.3Å; I450-V480 HydrophobicContact CG1-CG2 4.01Å; L473-V480 HydrophobicContact CD1-CG2 3.53Å; L473-V480 HydrophobicContact CD2-CG2 3.41Å; L473-V480 VanDerWaalsContact CD2-CG2 3.41Å; L473-V480 HydrophobicContact CG-CG2 4.08Å; I478-V480 HydrophobicContact CG2-CG1 4.11Å; I478-V480 HydrophobicContact CG2-CG2 4.29Å; I478-V480 PolarHBondContact O-N 3.48Å
481T88.1Confident75.4Confident86 Ų8677.6 Ų77.653%0.52846%0.461SS..EExtended strand (participates in β ladder)trans-95.6127.2178.3-62.20000111.3P448 T449 I450 L483P448-T481 PolarHBondContact O-N 2.82Å; T449-T481 CarbonylContact C-O 3.52Å; T449-T481 VanDerWaalsContact CA-O 3.31Å; T449-T481 WeakPolarHBondContact CA-O 3.38Å; I450-T481 PolarHBondContact N-O 2.79Å; T481-L483 PolarHBondContact O-N 3.22Å
482L86.3Confident74.4Confident31 Ų3180.5 Ų80.516%0.16248%0.48CS..EExtended strand (participates in β ladder)trans-85.8107.6177.3-79.6157.8000111.7I450 L469 E470 L473 I484I450-L482 HydrophobicContact CB-CD2 3.71Å; I450-L482 HydrophobicContact CB-CG 4.43Å; I450-L482 HydrophobicContact CD1-CD2 4.23Å; I450-L482 HydrophobicContact CG2-CD2 3.62Å; L469-L482 HydrophobicContact CD2-CD2 3.71Å; L469-L482 HydrophobicContact CG-CD2 4.13Å; E470-L482 HydrophobicContact CB-CD1 4.4Å; E470-L482 HydrophobicContact CG-CD1 3.32Å; L473-L482 HydrophobicContact CD1-CD1 3.71Å; L473-L482 HydrophobicContact CD1-CG 4.07Å; L482-I484 HydrophobicContact CD2-CD1 4Å
483L82.6Confident73.3Confident89 Ų8985 Ų8547%0.46651%0.506SS..  trans-114.374-180-146.8166.5000109.5I450 T481I450-L483 CarbonylContact O-C 3.47Å; I450-L483 PolarHBondContact O-N 3.27Å; T481-L483 PolarHBondContact O-N 3.22Å
484I72.8Confident72.1Confident11 Ų1189.2 Ų89.26%0.05653%0.532CS..  trans-100.1103.6175.5-54.6154.3000107M455 P462 R466 L482 N486M455-I484 HydrophobicContact CE-CD1 4.49Å; M455-I484 HydrophobicContact SD-CD1 3.4Å; M455-I484 WeakPolarHBondContact SD-CD1 3.45Å; M455-I484 HydrophobicContact SD-CG1 3.84Å; P462-I484 HydrophobicContact CB-CG2 4.3Å; R466-I484 HydrophobicContact CB-CD1 4.21Å; R466-I484 HydrophobicContact CG-CD1 3.8Å; L482-I484 HydrophobicContact CD2-CD1 4Å; I484-N486 PolarHBondContact O-N 3.43Å
485D57.6Low70.9Confident114 Ų11484.8 Ų84.861%0.6152%0.518SS*.  trans-61.4119.1-179.9-73.4-41.8000111.4L487D485-L487 HydrophobicContact CB-CG 4.39Å; D485-L487 PolarHBondContact O-N 3.36Å
486N51.4Low69.5Low107 Ų10787.5 Ų87.557%0.57254%0.535SS*.  trans-75.279.6162.6-78.9-13.1000108.9Q463 I484 C488Q463-N486 PolarHBondContact NE2-OD1 3Å; I484-N486 PolarHBondContact O-N 3.43Å; N486-C488 PolarHBondContact O-N 3.49Å
487L46Very low68.1Low163 Ų16392.7 Ų92.785%0.85357%0.569SS**  trans-70.463.5162-76.3168.2000110.1D485D485-L487 HydrophobicContact CB-CG 4.39Å; D485-L487 PolarHBondContact O-N 3.36Å
488C41.4Very low66.5Low112 Ų11294.8 Ų94.876%0.75756%0.562SS**  trans-11760.6170.1-69.30000109.7N486N486-C488 PolarHBondContact O-N 3.49Å
489C41.3Very low64.7Low125 Ų125100.3 Ų100.385%0.84560%0.596SS**  trans-116.993.6159.4-76.20000108.7
490S32.5Very low62.7Low202 Ų20296.2 Ų96.2100%1.41358%0.579SS**  trans-1570167.4-70.20000109.2

Retrieved 490 of 490 residues in 308.6 ms (Link to these results)