Q99N88_RAT Loading...

Fucosyltransferase

Catalyzes alpha(1->3) linkage of fucosyl moiety transferred from GDP-beta-L-fucose to N-acetyl glucosamine (GlcNAc) within type 2 lactosamine (LacNAc, Gal-beta(1->4)GlcNAc) glycan attached to N- or O-linked glycoproteins. Robustly fucosylates nonsialylated distal LacNAc unit of the polylactosamine chain to form Lewis X antigen (CD15), a glycan determinant known to mediate important cellular functions in development and immunity. Fucosylates with lower efficiency sialylated LacNAc acceptors to form sialyl Lewis X and 6-sulfo sialyl Lewis X determinants that serve as recognition epitopes for C-type lectins. Together with FUT7 contributes to SELE, SELL and SELP selectin ligand biosynthesis and selectin-dependent lymphocyte homing, leukocyte migration and blood leukocyte homeostasis. In a cell type specific manner, may also fucosylate the internal LacNAc unit of the polylactosamine chain to form VIM-2 antigen that serves as recognition epitope for SELE.

AlphaFold DB , UniProt , Accession Q99N88, Species RAT (Rattus norvegicus, Rat), Gene Fut4, Length 433 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low33.5Very low251 Ų251156.9 Ų156.9100%1.23685%0.849SS**  0108.90-83163.6119.500108.6
2A36.4Very low33.2Very low93 Ų93153.6 Ų153.677%0.76985%0.846SS**  trans-89.4165.4157.300000108.3
3P49Very low32.9Very low123 Ų123158.7 Ų158.780%0.79985%0.845SS**  -137.9145.283.224.3-3.1000112.3
4A35.5Very low32.6Very low101 Ų101156.4 Ų156.484%0.83585%0.846SS**  67.3110.467.800000115.1
5G29.6Very low32.5Very low86 Ų86162.4 Ų162.489%0.88785%0.851SS**  trans-169.199.8167.100000112.2
6R33.5Very low32.9Very low238 Ų238159.8 Ų159.890%0.89885%0.847SS**  trans-92.6169.4178.8-90.3-179.3171.6-169-1.6112
7K32.6Very low32.7Very low189 Ų189157.6 Ų157.682%0.82285%0.848SS**  trans101.7139.1153.6-65-171.5-179.1-178.30114.4
8L30.9Very low32.8Very low157 Ų157162.3 Ų162.382%0.82285%0.851SS**  cis-156.6145.321.4-118.3142.2000111
9Q28.2Very low33.5Very low166 Ų166159.5 Ų159.578%0.77684%0.844SS**  trans-75.9149164.1-68.5166.7-42.500110.1
10H28.9Very low33.4Very low181 Ų181158.8 Ų158.884%0.83885%0.846SS**  trans-130.3111.8149-14944000109.6
11E28.6Very low33.4Very low141 Ų141158.5 Ų158.566%0.65984%0.844SS**  trans-75.3147.3168.3-68.7179.2122.700109.8
12S29.5Very low33.2Very low117 Ų117151 Ų15182%0.81882%0.822SS**  trans-135.595.6157.7-44.40000107.6
13R29.5Very low32.9Very low220 Ų220158.7 Ų158.783%0.8383%0.832SS**  trans-91.4134.5162.9-79.7-177.7177.2-158.2-0.1108.2
14C27.9Very low32.1Very low126 Ų126164.9 Ų164.985%0.85184%0.839SS**  177.997.3127.7-95.10000111.4
15R31.9Very low31.8Very low247 Ų247164.7 Ų164.793%0.93284%0.838SS**  27.6164.6120.8-96.3-165.4-174-167.93.9122.2
16P39.2Very low31.9Very low120 Ų120165.3 Ų165.378%0.77983%0.834SS**  -115.2172.7-119.743.2-32.3000114.4
17S29.5Very low31.7Very low123 Ų123157.9 Ų157.986%0.8682%0.823SS**  trans-142.8124.716442.20000111.8
18R34.2Very low31.7Very low242 Ų242154.9 Ų154.991%0.91382%0.821SS**  trans-106.6-175.3154.6-76.1-174.4168.4-177.5-2.4106.6
19P45.2Very low31.7Very low109 Ų109153.2 Ų153.271%0.70882%0.818SS**  -120.1172.3-66.335.5-20.2000109.5
20V33.1Very low31.8Very low146 Ų146156.8 Ų156.889%0.88582%0.824SS**  trans-139.3130.5165.3-168.30000111.4
21D31.8Very low31.8Very low152 Ų152151.5 Ų151.581%0.81382%0.819SS**  trans-66159.9177.8-57.7-64000114.6
22A32.2Very low31.8Very low93 Ų93156.5 Ų156.577%0.76983%0.831SS**  trans-171.198.9134.900000111.8
23W30.9Very low31.8Very low256 Ų256156.7 Ų156.797%0.9783%0.831SS**  trans-142.4114.2155.6-91.288.4000109.2
24R30.7Very low31.9Very low252 Ų252155.9 Ų155.995%0.95184%0.839SS**  trans161.2140164-93.9172.9-165.9-153.15.6104.7
25A30.7Very low31.9Very low98 Ų98153.5 Ų153.581%0.8184%0.836SS**  cis-149.8-174.810.700000105.3
26A30.8Very low32Very low99 Ų99148.3 Ų148.382%0.81883%0.832SS**  cis-168.1164.729.800000109.4
27A30.5Very low32.2Very low81 Ų81148.8 Ų148.867%0.66984%0.835SS**  trans-84.1161.6178.700000113.5
28T31.5Very low32.2Very low126 Ų126146.7 Ų146.777%0.77383%0.833SS**  trans59124.6144.449.90000120.5
29T31Very low32.1Very low123 Ų123140.2 Ų140.276%0.75583%0.831SS**  -178141.5107.418.10000114.9
30R31.1Very low31.4Very low241 Ų241146.8 Ų146.891%0.90984%0.842SS**  trans63.2136.4144.6-66.8170.3176.5-175.2-1.3118.6
31G27.1Very low31.3Very low70 Ų70151.9 Ų151.972%0.72285%0.845SS**  cis125.3123.512.500000110.7
32R29.7Very low31.6Very low245 Ų245156.7 Ų156.793%0.92585%0.852SS**  trans146.6115.7154.9-87.6176.1171.9-150.8-2.3109.9
33C29.1Very low31.5Very low121 Ų121157.2 Ų157.282%0.81886%0.857SS**  82.5116.465.2-74.80000114.3
34M31.8Very low31.6Very low203 Ų203156.8 Ų156.8100%186%0.855SS**  trans170.4138.1142.6-80.2-124.9-89.200105.5
35G28.6Very low32Very low76 Ų76157 Ų15778%0.78486%0.856SS**  cis158.1129.910.400000105.1
36T33.3Very low32Very low139 Ų139155.6 Ų155.685%0.85385%0.85SS**  trans-80.6174.3178.956.20000110.9
37P44.3Very low32.6Very low129 Ų129154.4 Ų154.484%0.83885%0.848SS**  -160.7173.974.839.7-16.3000118.7
38G29.8Very low32.9Very low79 Ų79162.2 Ų162.281%0.81486%0.86SS**  trans109129.6152.400000115.2
39A30.8Very low33.3Very low106 Ų106159.9 Ų159.988%0.87686%0.861SS**  cis-156.1151.114.800000111.3
40R31.8Very low34Very low248 Ų248161.8 Ų161.894%0.93687%0.866SS**  trans-83.6138.9171.7-74.4174.5170.3177.1-2.9110.6
41R30.7Very low34.6Very low253 Ų253154.4 Ų154.496%0.95585%0.849SS**  trans-128.5123.7145.8-87.4-170.7172.2-150.8-0.6109.7
42R36.6Very low35.8Very low253 Ų253162.8 Ų162.896%0.95586%0.859SS**  trans-73.1140.7168.3-90.6175.1164.4-179-4.3109.1
43A31Very low36.9Very low104 Ų104156 Ų15686%0.8685%0.845SS**  trans-146.7151.1150.100000110.1
44R32.8Very low37.9Very low247 Ų247153.8 Ų153.893%0.93283%0.831SS**  trans-79.4160.9-157.8-79.6164154.8177.5-7114
45R38.7Very low39Very low256 Ų256148.2 Ų148.297%0.96681%0.812SS**  trans-44.8132161.4-72.7176.8169.6-169.3-4.1112
46G31.5Very low40.2Very low68 Ų68147 Ų14770%0.70180%0.799SS**  trans-148.2111.5157.100000106.9
47G42.5Very low41.3Very low74 Ų74147 Ų14776%0.76379%0.793SS**  trans-77.7138.9178.300000110.9
48W36.3Very low42Very low245 Ų245143.6 Ų143.693%0.92878%0.776SS**  trans-141.4124.4160.6-74.284000107.5
49G41.4Very low43.4Very low77 Ų77142.2 Ų142.279%0.79476%0.756SS**PPolyproline II helixtrans-62.6141.5-175.700000112.7
50L45.3Very low45Very low163 Ų163139.9 Ų139.985%0.85374%0.737SS**PPolyproline II helixtrans-79.1130.5167.9-80.1158.6000109.2
51P44.3Very low46.7Very low86 Ų86129.8 Ų129.856%0.55871%0.711SS**PPolyproline II helixtrans-72.3147.2-179.928.9-32.3000111.2T53P51-T53 PolarHBondContact O-N 2.84Å
52R51.2Low48.6Very low247 Ų247123.5 Ų123.593%0.93270%0.695SS**THydrogen-bonded Turntrans-63.620.4-179.9-90.3175.6149.8157.6-6.8115.7
53T53.5Low50.3Low103 Ų103116.9 Ų116.963%0.63268%0.678SS**THydrogen-bonded Turntrans-106.4-4.8-176.8520000114.1P51P51-T53 PolarHBondContact O-N 2.84Å
54S50Low52.2Low74 Ų74115.8 Ų115.852%0.51766%0.663SS.*Hα-helixtrans-80.9-1418045.90000114.7
55S54.5Low54.1Low86 Ų86107.8 Ų107.860%0.60164%0.642SS**Hα-helixtrans-78-37.3-179.3-33.30000112.8A59S55-A59 WeakPolarHBondContact O-CB 3.38Å; S55-A59 PolarHBondContact O-N 3.35Å; S55-A59 VanDerWaalsContact O-N 3.15Å
56G53.9Low55.8Low50 Ų5098.1 Ų98.152%0.51562%0.617SS.*Hα-helixtrans-73.3-39.4-176.700000113.3A59 A60G56-A59 PolarHBondContact O-N 3.46Å; G56-A60 VanDerWaalsContact O-CB 3.25Å; G56-A60 WeakPolarHBondContact O-CB 3.31Å; G56-A60 PolarHBondContact O-N 2.89Å
57L56.7Low57.8Low140 Ų140100 Ų10073%0.73361%0.61SS**Hα-helixtrans-70.7-36.1178.7-72167.5000112.3G61L57-G61 PolarHBondContact O-N 3.43Å
58A58Low59.1Low57 Ų57100 Ų10047%0.47160%0.596SS.*Hα-helixtrans-67.9-42.4174.200000111.7G61 L62A58-G61 PolarHBondContact O-N 2.93Å; A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 2.92Å
59A60Low60.8Low49 Ų4990.9 Ų90.941%0.40557%0.572SS.*Hα-helixtrans-67.3-41.717700000112.4S55 G56 L62 L63S55-A59 WeakPolarHBondContact O-CB 3.38Å; S55-A59 PolarHBondContact O-N 3.35Å; S55-A59 VanDerWaalsContact O-N 3.15Å; G56-A59 PolarHBondContact O-N 3.46Å; A59-L62 PolarHBondContact O-N 3.15Å; A59-L63 WeakPolarHBondContact O-CB 3.37Å; A59-L63 PolarHBondContact O-N 2.99Å
60A63.3Low62.3Low57 Ų5791.7 Ų91.747%0.47157%0.565SS.*Hα-helixtrans-65.2-39.517500000111.8G56 L63 C64G56-A60 VanDerWaalsContact O-CB 3.25Å; G56-A60 WeakPolarHBondContact O-CB 3.31Å; G56-A60 PolarHBondContact O-N 2.89Å; A60-L63 PolarHBondContact O-N 3.47Å; A60-C64 VanDerWaalsContact O-CB 3.31Å; A60-C64 WeakPolarHBondContact O-CB 3.25Å; A60-C64 PolarHBondContact O-N 2.97Å
61G69.4Low63.6Low37 Ų3790 Ų9038%0.38156%0.556SS.*Hα-helixtrans-61.1-45.4173.500000112.5L57 A58 C64 T65L57-G61 PolarHBondContact O-N 3.43Å; A58-G61 PolarHBondContact O-N 2.93Å; G61-C64 PolarHBondContact O-N 3.37Å; G61-T65 WeakPolarHBondContact O-CG2 3.39Å; G61-T65 PolarHBondContact O-N 3.5Å; G61-T65 PolarHBondContact O-OG1 3.37Å
62L70.6Confident64.5Low120 Ų12089.2 Ų89.263%0.62855%0.552SS**Hα-helixtrans-64.2-43.3177.7-74.7164000112.3A58 A59 T65 A66A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 2.92Å; A59-L62 PolarHBondContact O-N 3.15Å; L62-T65 WeakPolarHBondContact CA-OG1 3.49Å; L62-T65 PolarHBondContact O-N 2.92Å; L62-T65 PolarHBondContact O-OG1 2.93Å; L62-A66 WeakPolarHBondContact O-CB 3.33Å; L62-A66 PolarHBondContact O-N 2.96Å
63L71.5Confident64.9Low115 Ų11587 Ų8760%0.60254%0.543SS*.Hα-helixtrans-63.3-41.3175.2-83.3159.3000112.3A59 A60 A66 L67A59-L63 WeakPolarHBondContact O-CB 3.37Å; A59-L63 PolarHBondContact O-N 2.99Å; A60-L63 PolarHBondContact O-N 3.47Å; L63-A66 PolarHBondContact O-N 2.91Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 PolarHBondContact O-N 3.3Å
64C71.5Confident65.1Low80 Ų8085.7 Ų85.754%0.54155%0.55SS.*Hα-helixtrans-65.7-42.2177.6-142.50000110.9A60 G61 A66 L67 T68A60-C64 VanDerWaalsContact O-CB 3.31Å; A60-C64 WeakPolarHBondContact O-CB 3.25Å; A60-C64 PolarHBondContact O-N 2.97Å; G61-C64 PolarHBondContact O-N 3.37Å; C64-A66 PolarHBondContact O-N 3.4Å; C64-L67 PolarHBondContact O-N 2.86Å; C64-T68 PolarHBondContact O-N 3.37Å; C64-T68 PolarHBondContact O-OG1 3.5Å
65T72.1Confident65.7Low80 Ų8090.1 Ų90.149%0.49156%0.563SS.*Hα-helixtrans-64.1-40174.854.70000112.8G61 L62 T68 A69G61-T65 WeakPolarHBondContact O-CG2 3.39Å; G61-T65 PolarHBondContact O-N 3.5Å; G61-T65 PolarHBondContact O-OG1 3.37Å; L62-T65 WeakPolarHBondContact CA-OG1 3.49Å; L62-T65 PolarHBondContact O-N 2.92Å; L62-T65 PolarHBondContact O-OG1 2.93Å; T65-T68 VanDerWaalsContact CA-OG1 3.29Å; T65-T68 WeakPolarHBondContact CA-OG1 3.35Å; T65-T68 PolarHBondContact O-N 2.89Å; T65-T68 PolarHBondContact O-OG1 3.16Å; T65-A69 VanDerWaalsContact O-CB 3.31Å; T65-A69 WeakPolarHBondContact O-CB 3.29Å; T65-A69 PolarHBondContact O-N 3.36Å
66A73.5Confident65.8Low53 Ų5391.6 Ų91.644%0.43856%0.564SS.*Hα-helixtrans-67-41.8177.200000111.8L62 L63 C64 A69 C70L62-A66 WeakPolarHBondContact O-CB 3.33Å; L62-A66 PolarHBondContact O-N 2.96Å; L63-A66 PolarHBondContact O-N 2.91Å; C64-A66 PolarHBondContact O-N 3.4Å; A66-A69 PolarHBondContact O-N 3.46Å; A66-C70 WeakPolarHBondContact O-CB 3.43Å; A66-C70 PolarHBondContact O-N 2.9Å; A66-C70 PolarHBondContact O-SG 2.87Å
67L73.3Confident66.1Low106 Ų10694.1 Ų94.156%0.55557%0.571SS**Hα-helixtrans-64.1-43.7174.4-84.5159.6000111.8L63 C64 A69 C70 L71L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 PolarHBondContact O-N 3.3Å; C64-L67 PolarHBondContact O-N 2.86Å; L67-A69 VanDerWaalsContact C-N 3.35Å; L67-A69 PolarHBondContact O-N 3.49Å; L67-C70 PolarHBondContact O-N 2.77Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.2Å; L67-L71 PolarHBondContact O-N 3.19Å
68T70.9Confident66.1Low76 Ų7693 Ų9347%0.46657%0.572SS.*Hα-helixtrans-64.9-37.5173.847.20000112.3C64 T65 L71 C72C64-T68 PolarHBondContact O-N 3.37Å; C64-T68 PolarHBondContact O-OG1 3.5Å; T65-T68 VanDerWaalsContact CA-OG1 3.29Å; T65-T68 WeakPolarHBondContact CA-OG1 3.35Å; T65-T68 PolarHBondContact O-N 2.89Å; T65-T68 PolarHBondContact O-OG1 3.16Å; T68-L71 PolarHBondContact O-N 2.86Å; T68-C72 WeakPolarHBondContact O-CB 3.4Å; T68-C72 PolarHBondContact O-N 2.86Å; T68-C72 PolarHBondContact O-SG 3.47Å
69A71.9Confident66Low52 Ų5295.5 Ų95.543%0.4358%0.577SS.*Hα-helixtrans-66.8-40.217600000111.8T65 A66 L67 W73T65-A69 VanDerWaalsContact O-CB 3.31Å; T65-A69 WeakPolarHBondContact O-CB 3.29Å; T65-A69 PolarHBondContact O-N 3.36Å; A66-A69 PolarHBondContact O-N 3.46Å; L67-A69 VanDerWaalsContact C-N 3.35Å; L67-A69 PolarHBondContact O-N 3.49Å; A69-W73 PolarHBondContact O-N 3.3Å
70C72.4Confident65.7Low94 Ų9499.6 Ų99.664%0.63560%0.599SS**Hα-helixtrans-67.1-42174.6-78.50000112.6A66 L67 C72 W73A66-C70 WeakPolarHBondContact O-CB 3.43Å; A66-C70 PolarHBondContact O-N 2.9Å; A66-C70 PolarHBondContact O-SG 2.87Å; L67-C70 PolarHBondContact O-N 2.77Å; C70-C72 VanDerWaalsContact C-N 3.35Å; C70-W73 WeakPolarHBondContact O-CB 3.31Å; C70-W73 PolarHBondContact O-N 3.33Å
71L73.1Confident64.9Low128 Ų128106.1 Ų106.167%0.6761%0.612SS**Hα-helixtrans-67.9-34.8176.8-72.2167000111.9L67 T68L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.2Å; L67-L71 PolarHBondContact O-N 3.19Å; T68-L71 PolarHBondContact O-N 2.86Å
72C63Low63.5Low69 Ų69107.8 Ų107.847%0.46662%0.622SS.*Hα-helixtrans-78.9-16.6175.7-68.80000113.6T68 C70 G74 Q75 L76T68-C72 WeakPolarHBondContact O-CB 3.4Å; T68-C72 PolarHBondContact O-N 2.86Å; T68-C72 PolarHBondContact O-SG 3.47Å; C70-C72 VanDerWaalsContact C-N 3.35Å; C72-G74 PolarHBondContact O-N 3Å; C72-Q75 PolarHBondContact O-N 3.24Å; C72-L76 PolarHBondContact O-N 3Å
73W59.3Low62.3Low200 Ų200107.2 Ų107.276%0.75863%0.628SS**Hα-helixtrans-61.6-29.1178.6-154-72.8000112.4A69 C70A69-W73 PolarHBondContact O-N 3.3Å; C70-W73 WeakPolarHBondContact O-CB 3.31Å; C70-W73 PolarHBondContact O-N 3.33Å
74G58.2Low61.4Low76 Ų76106.8 Ų106.878%0.78463%0.632SS**THydrogen-bonded Turntrans-83.3-5.4174.900000115.3C72C72-G74 PolarHBondContact O-N 3Å
75Q62.1Low60.5Low167 Ų167106.8 Ų106.878%0.7864%0.638SS**THydrogen-bonded Turntrans-116.12.4-178.6-63.5-165.62.400113.6C72C72-Q75 PolarHBondContact O-N 3.24Å
76L57Low59.7Low118 Ų118109 Ų10962%0.61865%0.654SS**SBendtrans-65.6128173-72.2166.9000109C72C72-L76 PolarHBondContact O-N 3Å
77P59.8Low59.2Low102 Ų102110 Ų11066%0.66265%0.649SS**PPolyproline II helixtrans-56.9143.8168.224.1-31.1000108.3L79P77-L79 PolarHBondContact O-N 2.8Å
78P56.7Low59.5Low116 Ų116114.5 Ų114.575%0.75366%0.659SS**PPolyproline II helixtrans-53130.7177.921.6-31.2000108.7
79L56.5Low60.4Low110 Ų110116.1 Ų116.158%0.57667%0.671SS**PPolyproline II helixtrans-47.9132.9176.5-77.5172000109.4P77 W81 A82P77-L79 PolarHBondContact O-N 2.8Å; L79-W81 HydrophobicContact CD1-CZ2 4.18Å; L79-W81 PolarHBondContact O-N 3.08Å; L79-A82 PolarHBondContact O-N 3.18Å; L79-A82 VanDerWaalsContact O-N 3.08Å
80P52.9Low61.4Low136 Ų136114.1 Ų114.188%0.88365%0.653SS**THydrogen-bonded Turntrans-65.84.8-175.224.3-33.1000114.6
81W48.1Very low62.5Low193 Ų193110.3 Ų110.373%0.73163%0.628SS**THydrogen-bonded Turntrans-128.811.2-176.161.9-64.2000112.7L79 S83L79-W81 HydrophobicContact CD1-CZ2 4.18Å; L79-W81 PolarHBondContact O-N 3.08Å; W81-S83 VanDerWaalsContact C-N 3.32Å; W81-S83 PolarHBondContact O-N 2.91Å
82A39.5Very low63.6Low72 Ų72104.2 Ų104.260%0.59560%0.596SS**  trans-58.3104.4160.800000106.8L79 P84L79-A82 PolarHBondContact O-N 3.18Å; L79-A82 VanDerWaalsContact O-N 3.08Å; A82-P84 VanDerWaalsContact O-N 3.14Å
83S45.1Very low65.1Low108 Ų108101 Ų10176%0.75557%0.574SS**  trans-51.9125.1172.9-58.30000106.5W81 A85W81-S83 VanDerWaalsContact C-N 3.32Å; W81-S83 PolarHBondContact O-N 2.91Å; S83-A85 PolarHBondContact O-N 3.17Å; S83-A85 VanDerWaalsContact O-N 3.17Å
84P53.3Low66.8Low106 Ų10691.5 Ų91.569%0.68854%0.538SS*.  trans-52.8132.2174.820.2-29.1000107A82A82-P84 VanDerWaalsContact O-N 3.14Å
85A51.6Low68.3Low80 Ų8088.7 Ų88.766%0.66150%0.504SS*.  trans-46140.1174.700000108.6S83 Q87S83-A85 PolarHBondContact O-N 3.17Å; S83-A85 VanDerWaalsContact O-N 3.17Å; A85-Q87 PolarHBondContact O-N 2.84Å
86P54.6Low69Low127 Ų12781.5 Ų81.583%0.82547%0.469SS*.  trans-49.3115.3-177.4-23.830.7000109.2R88P86-R88 PolarHBondContact O-N 3.02Å
87Q64.8Low69.3Low73 Ų7381.5 Ų81.534%0.34147%0.466SS..PPolyproline II helixtrans-56.2131.2178.3-66.3-94.3-3500106.9A85 Q415A85-Q87 PolarHBondContact O-N 2.84Å; Q87-Q415 VanDerWaalsContact OE1-CB 3.31Å
88R78.1Confident69.1Low202 Ų20277.8 Ų77.876%0.76244%0.442SS*.PPolyproline II helixtrans-51128.4178.2-85-179.5169.7176.7-3.7108.5P86 V90 Q415P86-R88 PolarHBondContact O-N 3.02Å; R88-V90 PolarHBondContact O-N 2.97Å; R88-Q415 PolarHBondContact O-NE2 3.49Å
89P89.9Confident69.1Low110 Ų11075.3 Ų75.371%0.71442%0.42SS*.PPolyproline II helixtrans-57132.6173.2-24.734.3000109.9G120P89-G120 CarbonylContact C-O 3.49Å; P89-G120 VanDerWaalsContact CA-O 3.27Å; P89-G120 WeakPolarHBondContact CA-O 3.41Å
90V93.9Very high68.7Low9 Ų973 Ų736%0.05542%0.423CS..EExtended strand (participates in β ladder)trans-126.3143.8177.2-610000110.2R88 G120 R122 C411 V414 Q415R88-V90 PolarHBondContact O-N 2.97Å; V90-G120 PolarHBondContact N-O 2.8Å; V90-R122 PolarHBondContact O-N 3.47Å; V90-C411 HydrophobicContact CG2-CB 3.77Å; V90-V414 HydrophobicContact CB-CG1 4.13Å; V90-V414 HydrophobicContact CG1-CB 4.4Å; V90-V414 HydrophobicContact CG1-CG1 3.82Å; V90-Q415 HydrophobicContact CB-CG 4.22Å; V90-Q415 HydrophobicContact CG1-CB 4.48Å; V90-Q415 HydrophobicContact CG1-CG 3.57Å; V90-Q415 HydrophobicContact CG2-CG 3.57Å
91S95.5Very high68.3Low15 Ų1569.3 Ų69.311%0.10541%0.409CS..EExtended strand (participates in β ladder)trans-106.9132170.3540000111R122 E132 A133 Q134 A135S91-R122 CarbonylContact C-O 3.57Å; S91-R122 VanDerWaalsContact CA-O 3.26Å; S91-R122 WeakPolarHBondContact CA-O 3.26Å; S91-E132 PolarHBondContact OG-O 3.28Å; S91-A133 WeakPolarHBondContact OG-CA 3.27Å; S91-Q134 PolarHBondContact O-N 2.82Å; S91-Q134 PolarHBondContact OG-N 2.93Å; S91-Q134 PolarHBondContact OG-OE1 2.83Å; S91-A135 PolarHBondContact O-N 3.37Å
92V95.8Very high67.8Low0 Ų073 Ų730%042%0.422CS..EExtended strand (participates in β ladder)trans-119.6117.6172.7179.10000107.9R122 L123 L124 A135 L137 T410 C411V92-R122 PolarHBondContact N-O 3.17Å; V92-L123 HydrophobicContact CB-CD2 4.04Å; V92-L123 HydrophobicContact CG1-CD2 4.5Å; V92-L124 PolarHBondContact O-N 2.95Å; V92-A135 CarbonylContact C-O 3.48Å; V92-A135 WeakPolarHBondContact CA-O 3.32Å; V92-A135 HydrophobicContact CG1-CB 4.5Å; V92-A135 HydrophobicContact CG2-CB 4.31Å; V92-L137 HydrophobicContact CG1-CB 4.4Å; V92-T410 HydrophobicContact CG1-CG2 3.82Å; V92-T410 HydrophobicContact CG2-CG2 4.05Å; V92-C411 HydrophobicContact CG2-CB 4.39Å; V92-C411 VanDerWaalsContact CG2-SG 3.59Å
93L95.2Very high68.3Low0 Ų073 Ų730%043%0.43CS..EExtended strand (participates in β ladder)trans-85.2119.8175.2177.860.5000109.9W95 L124 D126 Y130 A133 A135 V136 L137L93-W95 HydrophobicContact CD2-CE3 3.79Å; L93-W95 HydrophobicContact CD2-CZ3 3.92Å; L93-W95 HydrophobicContact CG-CE3 4.4Å; L93-W95 PolarHBondContact O-N 2.87Å; L93-L124 HydrophobicContact CD1-CB 4.01Å; L93-D126 VanDerWaalsContact CD1-O 3.24Å; L93-D126 WeakPolarHBondContact CD1-O 3.25Å; L93-Y130 HydrophobicContact CD2-CD2 4.45Å; L93-A133 HydrophobicContact CB-CB 3.74Å; L93-A135 PolarHBondContact N-O 3.26Å; L93-V136 HydrophobicContact CB-CG1 4.45Å; L93-V136 HydrophobicContact CB-CG2 4.36Å; L93-V136 HydrophobicContact CD2-CG1 4.39Å; L93-V136 HydrophobicContact CG-CG1 4.44Å; L93-V136 CarbonylContact O-C 3.56Å; L93-V136 WeakPolarHBondContact O-CA 3.33Å; L93-L137 PolarHBondContact O-N 3.24Å
94L93.7Very high68.6Low1 Ų170.9 Ų70.91%0.00543%0.425CS..EExtended strand (participates in β ladder)trans-80.7104.1168.8-52.2-178.1000107.2W96 P109 L124 T125 L137 W407L94-W96 PolarHBondContact O-N 2.87Å; L94-P109 HydrophobicContact CD1-CG 4.32Å; L94-L124 PolarHBondContact N-O 3.26Å; L94-T125 HydrophobicContact CD1-CG2 4.35Å; L94-L137 HydrophobicContact CD2-CB 4.17Å; L94-L137 HydrophobicContact CD2-CD2 3.82Å; L94-W407 HydrophobicContact CD1-CD2 3.84Å; L94-W407 HydrophobicContact CD1-CE3 4.01Å; L94-W407 HydrophobicContact CD1-CG 4.28Å; L94-W407 HydrophobicContact CD1-CH2 4.38Å; L94-W407 HydrophobicContact CD1-CZ2 4.21Å; L94-W407 HydrophobicContact CD1-CZ3 4.29Å; L94-W407 HydrophobicContact CD2-CB 4.34Å; L94-W407 HydrophobicContact CD2-CD2 4.3Å; L94-W407 HydrophobicContact CD2-CG 3.92Å
95W89.8Confident68.5Low18 Ų1874.1 Ų74.17%0.06843%0.43CS..SBendtrans-64.8-28.3-172-170.2-107.6000113.1L93 R127 Y130 V136 L137 F138 D149 P151L93-W95 HydrophobicContact CD2-CE3 3.79Å; L93-W95 HydrophobicContact CD2-CZ3 3.92Å; L93-W95 HydrophobicContact CG-CE3 4.4Å; L93-W95 PolarHBondContact O-N 2.87Å; W95-R127 HydrophobicContact CE3-CG 4.43Å; W95-R127 HydrophobicContact CH2-CB 4.38Å; W95-R127 HydrophobicContact CH2-CG 4.27Å; W95-R127 HydrophobicContact CZ3-CB 4.27Å; W95-R127 HydrophobicContact CZ3-CG 4.12Å; W95-R127 PolarHBondContact O-NE 3.33Å; W95-R127 PolarHBondContact O-NH2 3.32Å; W95-Y130 HydrophobicContact CZ3-CD2 4.11Å; W95-Y130 HydrophobicContact CZ3-CG 4.23Å; W95-V136 HydrophobicContact CB-CG1 3.92Å; W95-V136 HydrophobicContact CD2-CG1 4.34Å; W95-V136 HydrophobicContact CE3-CG1 3.89Å; W95-V136 HydrophobicContact CG-CG1 4.38Å; W95-L137 WeakPolarHBondContact CB-O 3.35Å; W95-L137 PolarHBondContact N-O 2.71Å; W95-L137 VanDerWaalsContact N-O 3.08Å; W95-F138 HydrophobicContact CB-CD1 3.82Å; W95-F138 HydrophobicContact CB-CE1 3.79Å; W95-F138 HydrophobicContact CB-CG 4.49Å; W95-F138 HydrophobicContact CB-CZ 4.46Å; W95-F138 AromaticContact CD1-CD1 3.68Å; W95-F138 AromaticContact CD1-CE1 3.5Å; W95-F138 VanDerWaalsContact CD1-CE1 3.5Å; W95-F138 AromaticContact CD2-CE1 3.94Å; W95-F138 HydrophobicContact CD2-CE1 3.94Å; W95-F138 AromaticContact CG-CD1 3.78Å; W95-F138 HydrophobicContact CG-CD1 3.78Å; W95-F138 AromaticContact CG-CE1 3.42Å; W95-F138 HydrophobicContact CG-CE1 3.42Å; W95-F138 VanDerWaalsContact CG-CE1 3.42Å; W95-F138 HydrophobicContact CG-CZ 4.27Å; W95-D149 PolarHBondContact NE1-O 2.79Å; W95-P151 HydrophobicContact CD2-CG 3.84Å; W95-P151 HydrophobicContact CE3-CB 4.42Å; W95-P151 HydrophobicContact CE3-CG 3.81Å; W95-P151 HydrophobicContact CH2-CB 3.47Å; W95-P151 VanDerWaalsContact CH2-CB 3.47Å; W95-P151 HydrophobicContact CH2-CG 3.63Å; W95-P151 HydrophobicContact CZ2-CB 3.81Å; W95-P151 HydrophobicContact CZ2-CG 3.64Å; W95-P151 HydrophobicContact CZ3-CB 3.79Å; W95-P151 HydrophobicContact CZ3-CG 3.7Å
96W77.7Confident69Low16 Ų1673.5 Ų73.56%0.06142%0.421CS..SBendtrans-106.5133.5173.587.499.8000110.1L94 F99 L137 H139 D142 M198 W407L94-W96 PolarHBondContact O-N 2.87Å; W96-F99 AromaticContact CE2-CE2 3.92Å; W96-F99 AromaticContact CE2-CZ 3.95Å; W96-F99 HydrophobicContact CZ2-CE2 4.05Å; W96-F99 HydrophobicContact CZ2-CZ 4.25Å; W96-F99 AromaticContact NE1-CD2 3.89Å; W96-F99 AromaticContact NE1-CE1 3.92Å; W96-F99 AromaticContact NE1-CE2 3.19Å; W96-F99 AromaticContact NE1-CZ 3.22Å; W96-L137 HydrophobicContact CH2-CD2 4.02Å; W96-L137 HydrophobicContact CH2-CG 4.34Å; W96-L137 HydrophobicContact CZ3-CB 4.28Å; W96-L137 HydrophobicContact CZ3-CD2 4.08Å; W96-L137 HydrophobicContact CZ3-CG 3.95Å; W96-L137 WeakPolarHBondContact CZ3-O 3.44Å; W96-H139 HydrophobicContact CD2-CB 3.63Å; W96-H139 HydrophobicContact CE3-CB 3.63Å; W96-H139 HydrophobicContact CG-CB 4.43Å; W96-H139 HydrophobicContact CH2-CB 3.74Å; W96-H139 HydrophobicContact CZ2-CB 3.68Å; W96-H139 HydrophobicContact CZ3-CB 3.69Å; W96-D142 HydrophobicContact CB-CB 4.39Å; W96-D142 VanDerWaalsContact CD1-OD2 3.25Å; W96-D142 VanDerWaalsContact CG-OD2 3.29Å; W96-M198 HydrophobicContact CH2-CE 3.11Å; W96-M198 HydrophobicContact CH2-SD 4Å; W96-M198 HydrophobicContact CZ2-CE 3.51Å; W96-M198 HydrophobicContact CZ3-CE 4.05Å; W96-W407 AromaticContact CH2-NE1 3.5Å; W96-W407 HydrophobicContact CZ2-CZ2 4.18Å; W96-W407 AromaticContact CZ2-NE1 3.78Å
97E61.8Low69.9Low118 Ų11873.8 Ų73.855%0.55141%0.41SS*.  trans-73.9134.9170.4-166.7176-147.900108.9F99 S106E97-F99 PolarHBondContact O-N 3.11Å; E97-F99 VanDerWaalsContact O-N 3.16Å; E97-S106 VanDerWaalsContact CD-CB 3.43Å; E97-S106 WeakPolarHBondContact OE1-CB 3.41Å; E97-S106 PolarHBondContact OE1-OG 3.34Å
98P57.1Low70.8Confident23 Ų2375 Ų7515%0.14942%0.423CS..  trans-69.9122-16226.7-34.4000111.1G100 W407P98-G100 VanDerWaalsContact C-N 3.34Å; P98-G100 PolarHBondContact O-N 3.41Å; P98-W407 HydrophobicContact CB-CH2 3.88Å; P98-W407 HydrophobicContact CB-CZ2 4.22Å; P98-W407 HydrophobicContact CG-CH2 4.19Å
99F57Low71.3Confident65 Ų6567.2 Ų67.229%0.28540%0.399SS..  trans22.466.5149.8-44-76.1000114.9W96 E97 G101 H139 R141 W403W96-F99 AromaticContact CE2-CE2 3.92Å; W96-F99 AromaticContact CE2-CZ 3.95Å; W96-F99 HydrophobicContact CZ2-CE2 4.05Å; W96-F99 HydrophobicContact CZ2-CZ 4.25Å; W96-F99 AromaticContact NE1-CD2 3.89Å; W96-F99 AromaticContact NE1-CE1 3.92Å; W96-F99 AromaticContact NE1-CE2 3.19Å; W96-F99 AromaticContact NE1-CZ 3.22Å; E97-F99 PolarHBondContact O-N 3.11Å; E97-F99 VanDerWaalsContact O-N 3.16Å; F99-G101 PolarHBondContact O-N 3.28Å; F99-H139 AromaticContact CZ-CD2 3.61Å; F99-H139 AromaticContact CZ-NE2 3.88Å; F99-R141 VanDerWaalsContact CE1-NH1 3.28Å; F99-W403 AromaticContact CD2-CD1 3.82Å; F99-W403 AromaticContact CD2-NE1 3.5Å; F99-W403 AromaticContact CE2-CD1 3.65Å; F99-W403 HydrophobicContact CE2-CD2 4.25Å; F99-W403 AromaticContact CE2-CE2 3.59Å; F99-W403 HydrophobicContact CE2-CG 4.29Å; F99-W403 HydrophobicContact CE2-CZ2 4.09Å; F99-W403 AromaticContact CE2-NE1 3.16Å; F99-W403 HydrophobicContact CZ-CZ2 4.12Å; F99-W403 AromaticContact CZ-NE1 4Å
100G47.5Very low71.4Confident62 Ų6262.7 Ų62.764%0.63937%0.37SS*.  trans-54.8105.9167.400000108.1P98P98-G100 VanDerWaalsContact C-N 3.34Å; P98-G100 PolarHBondContact O-N 3.41Å
101G44.6Very low71.4Confident57 Ų5766.1 Ų66.159%0.58839%0.388SS*.  trans-57.3162164.800000109.2F99 G103 G104F99-G101 PolarHBondContact O-N 3.28Å; G101-G103 VanDerWaalsContact C-N 3.34Å; G101-G103 PolarHBondContact O-N 3.33Å; G101-G104 PolarHBondContact O-N 3.49Å
102R37.8Very low71.4Confident271 Ų27165.5 Ų65.5100%1.02338%0.384SS*.THydrogen-bonded Turntrans-52.699.1168.9-65.8-176-172.1-161.20.9108
103G48.6Very low71.4Confident73 Ų7368.1 Ų68.175%0.75340%0.402SS*.THydrogen-bonded Turntrans147.9-6.5-174.200000119G101G101-G103 VanDerWaalsContact C-N 3.34Å; G101-G103 PolarHBondContact O-N 3.33Å
104G51.4Low71.3Confident63 Ų6375 Ų7565%0.64944%0.438SS*.  trans77.828.5148.900000120.9G101G101-G104 PolarHBondContact O-N 3.49Å
105H52.3Low71.3Confident173 Ų17380.2 Ų80.280%0.80146%0.458SS*.  trans-128.2124.5164.8-64.1-41.4000111.2K107H105-K107 PolarHBondContact O-N 2.62Å
106S62.8Low71.5Confident68 Ų6881 Ų8148%0.47646%0.462SS..PPolyproline II helixtrans-69.7125.8169.7540000109.1E97E97-S106 VanDerWaalsContact CD-CB 3.43Å; E97-S106 WeakPolarHBondContact OE1-CB 3.41Å; E97-S106 PolarHBondContact OE1-OG 3.34Å
107K72.6Confident72.3Confident133 Ų13387 Ų8758%0.57850%0.495SS*.PPolyproline II helixtrans-80.6130.7176.3-173.7-173173.8-165.20107.7H105H105-K107 PolarHBondContact O-N 2.62Å
108P83.4Confident73.9Confident97 Ų9781.6 Ų81.663%0.6347%0.47SS*.PPolyproline II helixtrans-60.3148.8175.725.2-33.9000110.7
109P88.1Confident75.6Confident39 Ų3983.4 Ų83.425%0.25348%0.483SS..PPolyproline II helixtrans-54.5152.8172.3-24.533.8000112.3L94 L123 T125L94-P109 HydrophobicContact CD1-CG 4.32Å; P109-L123 HydrophobicContact CB-CB 3.58Å; P109-L123 HydrophobicContact CB-CD1 3.85Å; P109-L123 HydrophobicContact CB-CG 4.38Å; P109-L123 HydrophobicContact CG-CB 4.16Å; P109-T125 HydrophobicContact CG-CG2 3.67Å
110P92.7Very high77.4Confident15 Ų1582 Ų8210%0.09749%0.487CS..PPolyproline II helixtrans-66.2150177.732.1-39.9000112.1C112 L123 D404 W407P110-C112 PolarHBondContact O-N 3.47Å; P110-L123 HydrophobicContact CG-CD1 3.81Å; P110-D404 HydrophobicContact CB-CB 3.96Å; P110-D404 HydrophobicContact CG-CB 3.74Å; P110-W407 HydrophobicContact CG-CE3 4.24Å
111D94.2Very high79.6Confident82 Ų8280.2 Ų80.244%0.43946%0.464SS..  trans-74.6106.3161.2-173.9-36.7000109.3S113 L114 R115D111-S113 VanDerWaalsContact C-N 3.3Å; D111-S113 PolarHBondContact O-N 3.34Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.29Å; D111-S113 WeakPolarHBondContact OD1-CB 3.27Å; D111-S113 PolarHBondContact OD1-N 3.28Å; D111-L114 HydrophobicContact CB-CB 4.07Å; D111-L114 HydrophobicContact CB-CD1 3.96Å; D111-L114 HydrophobicContact CB-CG 4.18Å; D111-L114 PolarHBondContact OD1-N 3.1Å; D111-L114 VanDerWaalsContact OD2-CD1 3.28Å; D111-L114 WeakPolarHBondContact OD2-CD1 3.27Å; D111-L114 WeakPolarHBondContact OD2-CG 3.48Å; D111-R115 WeakPolarHBondContact O-CB 3.33Å; D111-R115 WeakPolarHBondContact O-CG 3.23Å; D111-R115 PolarHBondContact O-N 2.77Å
112C95.8Very high82.1Confident2 Ų285.7 Ų85.71%0.01447%0.467CS..Hα-helixtrans-69.8-26.4-177.3-59.90000113.5P110 F116 N117 I118 C121 C408P110-C112 PolarHBondContact O-N 3.47Å; C112-F116 CarbonylContact O-C 3.55Å; C112-F116 WeakPolarHBondContact O-CA 3.47Å; C112-F116 PolarHBondContact O-N 2.97Å; C112-N117 PolarHBondContact O-N 3.49Å; C112-I118 CarbonylContact C-O 3.6Å; C112-I118 HydrophobicContact CB-CB 4.07Å; C112-I118 PolarHBondContact O-N 2.99Å; C112-C121 HydrophobicContact CB-CB 3.9Å; C112-C121 PolarHBondContact SG-SG 3.48Å; C112-C408 WeakPolarHBondContact CA-SG 3.49Å; C112-C408 HydrophobicContact CB-CB 3.64Å; C112-C408 WeakPolarHBondContact CB-SG 3.39Å; C112-C408 WeakPolarHBondContact SG-CA 3.39Å; C112-C408 WeakPolarHBondContact SG-CB 3.3Å; C112-C408 CovalentContact SG-SG 2.03Å; C112-C408 PolarHBondContact SG-SG 2.89Å
113S95Very high84.8Confident55 Ų5573.9 Ų73.939%0.38542%0.424SS..Hα-helixtrans-69.4-51.6175.8-172.40000109.5D111 R115 N117 I118D111-S113 VanDerWaalsContact C-N 3.3Å; D111-S113 PolarHBondContact O-N 3.34Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.29Å; D111-S113 WeakPolarHBondContact OD1-CB 3.27Å; D111-S113 PolarHBondContact OD1-N 3.28Å; S113-R115 PolarHBondContact O-N 3.16Å; S113-N117 VanDerWaalsContact O-CA 3.26Å; S113-N117 WeakPolarHBondContact O-CA 3.43Å; S113-N117 PolarHBondContact O-N 2.94Å; S113-I118 WeakPolarHBondContact CA-O 3.32Å; S113-I118 PolarHBondContact N-O 3.32Å
114L94.6Very high86.9Confident144 Ų14471.5 Ų71.575%0.75439%0.394SS*.Hα-helixtrans-65.8-37.6-178.8-68.3177.3000113D111D111-L114 HydrophobicContact CB-CB 4.07Å; D111-L114 HydrophobicContact CB-CD1 3.96Å; D111-L114 HydrophobicContact CB-CG 4.18Å; D111-L114 PolarHBondContact OD1-N 3.1Å; D111-L114 VanDerWaalsContact OD2-CD1 3.28Å; D111-L114 WeakPolarHBondContact OD2-CD1 3.27Å; D111-L114 WeakPolarHBondContact OD2-CG 3.48Å
115R93.6Very high88.8Confident111 Ų11171.1 Ų71.142%0.41938%0.379SS..Hα-helixtrans-94.6-31.4-171.6-67.2-173.364.6-172.9-6.7114.9D111 S113 S401 D404D111-R115 WeakPolarHBondContact O-CB 3.33Å; D111-R115 WeakPolarHBondContact O-CG 3.23Å; D111-R115 PolarHBondContact O-N 2.77Å; S113-R115 PolarHBondContact O-N 3.16Å; R115-S401 PolarHBondContact NH2-OG 3.49Å; R115-S401 VanDerWaalsContact NH2-OG 3.1Å; R115-D404 IonicContact CZ-OD2 2.84Å; R115-D404 IonicContact NH1-OD1 3.16Å; R115-D404 IonicContact NH1-OD2 3.18Å; R115-D404 PolarHBondContact NH1-OD2 3.05Å; R115-D404 IonicContact NH2-OD2 2.65Å; R115-D404 PolarHBondContact NH2-OD2 3.28Å
116F94.1Very high90.6Very high35 Ų3568 Ų6815%0.15437%0.368CS..Hα-helixtrans-131.88-171.4-53.5-73.2000113.2C112 I118 D404 E405 C408 R412C112-F116 CarbonylContact O-C 3.55Å; C112-F116 WeakPolarHBondContact O-CA 3.47Å; C112-F116 PolarHBondContact O-N 2.97Å; F116-I118 VanDerWaalsContact C-N 3.27Å; F116-I118 HydrophobicContact CB-CD1 4.02Å; F116-I118 HydrophobicContact CB-CG1 4.12Å; F116-I118 PolarHBondContact O-N 3.28Å; F116-D404 HydrophobicContact CE2-CB 3.94Å; F116-D404 HydrophobicContact CZ-CB 3.88Å; F116-E405 HydrophobicContact CD1-CB 4.35Å; F116-E405 HydrophobicContact CD1-CG 4.17Å; F116-E405 HydrophobicContact CE1-CB 3.63Å; F116-E405 HydrophobicContact CE1-CG 3.88Å; F116-E405 HydrophobicContact CE2-CB 4.45Å; F116-E405 HydrophobicContact CZ-CB 3.69Å; F116-E405 HydrophobicContact CZ-CG 4.39Å; F116-C408 HydrophobicContact CD2-CB 3.69Å; F116-C408 WeakPolarHBondContact CD2-SG 3.45Å; F116-C408 HydrophobicContact CE2-CB 4.19Å; F116-C408 HydrophobicContact CG-CB 4.39Å; F116-R412 PolarHBondContact O-NH2 3.16Å
117N94.4Very high91.8Very high141 Ų14169.4 Ų69.475%0.75436%0.363SS*.  trans55.442.5-177.4-163.733.8000112.2C112 S113C112-N117 PolarHBondContact O-N 3.49Å; S113-N117 VanDerWaalsContact O-CA 3.26Å; S113-N117 WeakPolarHBondContact O-CA 3.43Å; S113-N117 PolarHBondContact O-N 2.94Å
118I94.3Very high92.6Very high5 Ų567 Ų673%0.02637%0.368CS..  trans-112.690.1176.3-56.4176.1000108.4C112 S113 F116 C121 C408 C411 R412C112-I118 CarbonylContact C-O 3.6Å; C112-I118 HydrophobicContact CB-CB 4.07Å; C112-I118 PolarHBondContact O-N 2.99Å; S113-I118 WeakPolarHBondContact CA-O 3.32Å; S113-I118 PolarHBondContact N-O 3.32Å; F116-I118 VanDerWaalsContact C-N 3.27Å; F116-I118 HydrophobicContact CB-CD1 4.02Å; F116-I118 HydrophobicContact CB-CG1 4.12Å; F116-I118 PolarHBondContact O-N 3.28Å; I118-C121 HydrophobicContact CG2-CB 3.92Å; I118-C408 HydrophobicContact CD1-CB 3.91Å; I118-C408 VanDerWaalsContact CD1-O 3.27Å; I118-C408 WeakPolarHBondContact CD1-O 3.3Å; I118-C411 HydrophobicContact CG2-CB 4.35Å; I118-R412 HydrophobicContact CD1-CB 4.13Å; I118-R412 HydrophobicContact CG2-CB 4.33Å
119S93.9Very high93Very high61 Ų6163.1 Ų63.143%0.42734%0.344SS..THydrogen-bonded Turntrans-72.4151.3175.957.80000111.5C121 Q415S119-C121 VanDerWaalsContact C-N 3.28Å; S119-C121 PolarHBondContact O-N 2.74Å; S119-Q415 PolarHBondContact O-NE2 3.22Å
120G93.1Very high93.2Very high35 Ų3561.8 Ų61.836%0.36133%0.334SS..THydrogen-bonded Turntrans72.616.3176.900000114.5P89 V90 Q415P89-G120 CarbonylContact C-O 3.49Å; P89-G120 VanDerWaalsContact CA-O 3.27Å; P89-G120 WeakPolarHBondContact CA-O 3.41Å; V90-G120 PolarHBondContact N-O 2.8Å; G120-Q415 PolarHBondContact O-NE2 2.95Å
121C95.3Very high93.1Very high25 Ų2562.5 Ų62.517%0.16934%0.344CS..EExtended strand (participates in β ladder)trans-95.9121.2173.3173.40000110.6C112 I118 S119 C411C112-C121 HydrophobicContact CB-CB 3.9Å; C112-C121 PolarHBondContact SG-SG 3.48Å; I118-C121 HydrophobicContact CG2-CB 3.92Å; S119-C121 VanDerWaalsContact C-N 3.28Å; S119-C121 PolarHBondContact O-N 2.74Å; C121-C411 VanDerWaalsContact CA-SG 3.57Å; C121-C411 HydrophobicContact CB-CB 3.35Å; C121-C411 WeakPolarHBondContact CB-SG 3.41Å; C121-C411 WeakPolarHBondContact SG-CB 3.37Å; C121-C411 CovalentContact SG-SG 2.02Å; C121-C411 PolarHBondContact SG-SG 2.86Å
122R95.6Very high93Very high171 Ų17165.9 Ų65.965%0.64536%0.357SS*.EExtended strand (participates in β ladder)trans-112.7103173.7-169.4177.5-179.1-170.4-5.8109.6V90 S91 V92 L124V90-R122 PolarHBondContact O-N 3.47Å; S91-R122 CarbonylContact C-O 3.57Å; S91-R122 VanDerWaalsContact CA-O 3.26Å; S91-R122 WeakPolarHBondContact CA-O 3.26Å; V92-R122 PolarHBondContact N-O 3.17Å; R122-L124 HydrophobicContact CG-CD2 3.73Å; R122-L124 HydrophobicContact CG-CG 4.3Å
123L94.9Very high92.9Very high23 Ų2366 Ų6612%0.1236%0.358CS..EExtended strand (participates in β ladder)trans-80.9126.1171.5-62.2-179.4000109.4V92 P109 P110 W407V92-L123 HydrophobicContact CB-CD2 4.04Å; V92-L123 HydrophobicContact CG1-CD2 4.5Å; P109-L123 HydrophobicContact CB-CB 3.58Å; P109-L123 HydrophobicContact CB-CD1 3.85Å; P109-L123 HydrophobicContact CB-CG 4.38Å; P109-L123 HydrophobicContact CG-CB 4.16Å; P110-L123 HydrophobicContact CG-CD1 3.81Å; L123-W407 HydrophobicContact CD1-CB 3.83Å; L123-W407 HydrophobicContact CD1-CE3 4.48Å; L123-W407 HydrophobicContact CD2-CB 4.16Å
124L93.8Very high92.9Very high23 Ų2367 Ų6712%0.1236%0.357CS..EExtended strand (participates in β ladder)trans-114.6144.9-178.2-58.3178000109.8V92 L93 L94 R122 A129V92-L124 PolarHBondContact O-N 2.95Å; L93-L124 HydrophobicContact CD1-CB 4.01Å; L94-L124 PolarHBondContact N-O 3.26Å; R122-L124 HydrophobicContact CG-CD2 3.73Å; R122-L124 HydrophobicContact CG-CG 4.3Å; L124-A129 HydrophobicContact CD1-CB 3.57Å
125T90.8Very high92.9Very high56 Ų5660.2 Ų60.234%0.34432%0.321SS..  trans-121.4-10.4172.452.80000112.2L94 P109 R127L94-T125 HydrophobicContact CD1-CG2 4.35Å; P109-T125 HydrophobicContact CG-CG2 3.67Å; T125-R127 PolarHBondContact O-N 3.25Å
126D89.8Confident92.9Very high106 Ų10654.9 Ų54.957%0.56730%0.301SS*.  trans-78.8116.2175-176.2-1.6000110L93 A128 A129L93-D126 VanDerWaalsContact CD1-O 3.24Å; L93-D126 WeakPolarHBondContact CD1-O 3.25Å; D126-A128 PolarHBondContact O-N 3.37Å; D126-A128 WeakPolarHBondContact OD1-CB 3.5Å; D126-A128 PolarHBondContact OD1-N 2.9Å; D126-A129 WeakPolarHBondContact O-CB 3.32Å; D126-A129 PolarHBondContact O-N 3.03Å; D126-A129 VanDerWaalsContact O-N 3.11Å
127R88.6Confident93Very high99 Ų9953.2 Ų53.237%0.37429%0.294SS..G310 helixtrans-65.3-20.9-179.3-67.9-175.6174.4-172.3-2.5113.2W95 T125 A129 Y130 D149W95-R127 HydrophobicContact CE3-CG 4.43Å; W95-R127 HydrophobicContact CH2-CB 4.38Å; W95-R127 HydrophobicContact CH2-CG 4.27Å; W95-R127 HydrophobicContact CZ3-CB 4.27Å; W95-R127 HydrophobicContact CZ3-CG 4.12Å; W95-R127 PolarHBondContact O-NE 3.33Å; W95-R127 PolarHBondContact O-NH2 3.32Å; T125-R127 PolarHBondContact O-N 3.25Å; R127-A129 PolarHBondContact O-N 2.91Å; R127-A129 VanDerWaalsContact O-N 3.17Å; R127-Y130 VanDerWaalsContact O-CB 3.27Å; R127-Y130 WeakPolarHBondContact O-CB 3.25Å; R127-Y130 PolarHBondContact O-N 3.5Å; R127-D149 IonicContact CZ-OD1 2.93Å; R127-D149 IonicContact CZ-OD2 2.69Å; R127-D149 IonicContact NH1-OD1 3.66Å; R127-D149 PolarHBondContact NH1-OD1 3.21Å; R127-D149 IonicContact NH1-OD2 2.83Å; R127-D149 PolarHBondContact NH1-OD2 3.11Å; R127-D149 IonicContact NH2-OD2 2.74Å; R127-D149 PolarHBondContact NH2-OD2 3.23Å
128A89.8Confident92.9Very high83 Ų8346.6 Ų46.669%0.68626%0.258SS*.G310 helixtrans-59.4-25.3173.500000112D126 Y130D126-A128 PolarHBondContact O-N 3.37Å; D126-A128 WeakPolarHBondContact OD1-CB 3.5Å; D126-A128 PolarHBondContact OD1-N 2.9Å; A128-Y130 PolarHBondContact O-N 3.47Å
129A91.8Very high92.8Very high14 Ų1447.1 Ų47.112%0.11626%0.261CS..G310 helixtrans-77.85.1176.800000114.3L124 D126 R127 G131 E132 A133L124-A129 HydrophobicContact CD1-CB 3.57Å; D126-A129 WeakPolarHBondContact O-CB 3.32Å; D126-A129 PolarHBondContact O-N 3.03Å; D126-A129 VanDerWaalsContact O-N 3.11Å; R127-A129 PolarHBondContact O-N 2.91Å; R127-A129 VanDerWaalsContact O-N 3.17Å; A129-G131 VanDerWaalsContact C-N 3.32Å; A129-G131 PolarHBondContact O-N 3.33Å; A129-E132 PolarHBondContact O-N 3.12Å; A129-E132 VanDerWaalsContact O-N 3.12Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 2.83Å
130Y91.9Very high92.7Very high12 Ų1244.5 Ų44.55%0.04724%0.241CC..G310 helixtrans-53.6-45.4-179.3171.7-117.1000112.9L93 W95 R127 A128 E132 V136 P151 P152 Q193 W195L93-Y130 HydrophobicContact CD2-CD2 4.45Å; W95-Y130 HydrophobicContact CZ3-CD2 4.11Å; W95-Y130 HydrophobicContact CZ3-CG 4.23Å; R127-Y130 VanDerWaalsContact O-CB 3.27Å; R127-Y130 WeakPolarHBondContact O-CB 3.25Å; R127-Y130 PolarHBondContact O-N 3.5Å; A128-Y130 PolarHBondContact O-N 3.47Å; Y130-E132 VanDerWaalsContact C-N 3.26Å; Y130-E132 PolarHBondContact O-N 2.89Å; Y130-V136 HydrophobicContact CD2-CG2 3.82Å; Y130-V136 HydrophobicContact CE2-CG2 3.95Å; Y130-P151 HydrophobicContact CD1-CB 4.03Å; Y130-P151 HydrophobicContact CD2-CB 3.77Å; Y130-P151 HydrophobicContact CD2-CG 4.12Å; Y130-P151 HydrophobicContact CE1-CB 3.73Å; Y130-P151 HydrophobicContact CE2-CB 3.46Å; Y130-P151 VanDerWaalsContact CE2-CB 3.46Å; Y130-P151 HydrophobicContact CE2-CG 3.76Å; Y130-P151 HydrophobicContact CG-CB 4.06Å; Y130-P151 VanDerWaalsContact CZ-CB 3.46Å; Y130-P152 HydrophobicContact CD1-CG 4.42Å; Y130-P152 WeakPolarHBondContact CE1-O 3.18Å; Y130-Q193 PolarHBondContact O-NE2 3.11Å; Y130-W195 HydrophobicContact CE2-CZ2 4.21Å; Y130-W195 AromaticContact CE2-NE1 3.78Å; Y130-W195 WeakPolarHBondContact OH-CZ2 3.35Å
131G90.3Very high92.4Very high30 Ų3047 Ų4731%0.30924%0.24SC..G310 helixtrans-67.1-25.1-179.300000114.4A129A129-G131 VanDerWaalsContact C-N 3.32Å; A129-G131 PolarHBondContact O-N 3.33Å
132E91.3Very high91.7Very high153 Ų15348 Ų4872%0.71524%0.243SC*.THydrogen-bonded Turntrans-101.3-16.2-174.6-61-178.2178.900113.3S91 A129 Y130 Q134S91-E132 PolarHBondContact OG-O 3.28Å; A129-E132 PolarHBondContact O-N 3.12Å; A129-E132 VanDerWaalsContact O-N 3.12Å; Y130-E132 VanDerWaalsContact C-N 3.26Å; Y130-E132 PolarHBondContact O-N 2.89Å; E132-Q134 PolarHBondContact O-NE2 3.4Å
133A94.3Very high91.1Very high3 Ų340.7 Ų40.73%0.02522%0.217CC..  trans-68.4133.3-178.100000111.5S91 L93 A129 A135 V136 Q193S91-A133 WeakPolarHBondContact OG-CA 3.27Å; L93-A133 HydrophobicContact CB-CB 3.74Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 2.83Å; A133-A135 VanDerWaalsContact C-N 3.33Å; A133-V136 HydrophobicContact CB-CG2 4.47Å; A133-Q193 WeakPolarHBondContact O-CG 3.43Å; A133-Q193 PolarHBondContact O-NE2 3.38Å
134Q93.9Very high90.3Very high78 Ų7842.2 Ų42.236%0.36423%0.227SC..SBendtrans-73.5-28.6174.4-75.474.263.600112S91 E132 Q193 R194 V414S91-Q134 PolarHBondContact O-N 2.82Å; S91-Q134 PolarHBondContact OG-N 2.93Å; S91-Q134 PolarHBondContact OG-OE1 2.83Å; E132-Q134 PolarHBondContact O-NE2 3.4Å; Q134-Q193 WeakPolarHBondContact O-CA 3.29Å; Q134-R194 PolarHBondContact O-N 3.03Å; Q134-V414 HydrophobicContact CB-CG1 3.9Å
135A94.9Very high89.1Confident0 Ų047.7 Ų47.70%025%0.25CS..EExtended strand (participates in β ladder)trans-141.3152.9171.500000112.2S91 V92 L93 A133 R194 V196 V414S91-A135 PolarHBondContact O-N 3.37Å; V92-A135 CarbonylContact C-O 3.48Å; V92-A135 WeakPolarHBondContact CA-O 3.32Å; V92-A135 HydrophobicContact CG1-CB 4.5Å; V92-A135 HydrophobicContact CG2-CB 4.31Å; L93-A135 PolarHBondContact N-O 3.26Å; A133-A135 VanDerWaalsContact C-N 3.33Å; A135-R194 CarbonylContact C-O 3.51Å; A135-R194 WeakPolarHBondContact CA-O 3.15Å; A135-R194 HydrophobicContact CB-CB 4.02Å; A135-R194 WeakPolarHBondContact CB-O 3.42Å; A135-V196 HydrophobicContact CB-CG2 4.27Å; A135-V414 HydrophobicContact CB-CG2 3.68Å
136V95.2Very high87.8Confident0 Ų047.9 Ų47.90%026%0.263CS..EExtended strand (participates in β ladder)trans-124.9124.4176.5-171.10000108.4L93 W95 Y130 A133 F138 Q193 R194 V196L93-V136 HydrophobicContact CB-CG1 4.45Å; L93-V136 HydrophobicContact CB-CG2 4.36Å; L93-V136 HydrophobicContact CD2-CG1 4.39Å; L93-V136 HydrophobicContact CG-CG1 4.44Å; L93-V136 CarbonylContact O-C 3.56Å; L93-V136 WeakPolarHBondContact O-CA 3.33Å; W95-V136 HydrophobicContact CB-CG1 3.92Å; W95-V136 HydrophobicContact CD2-CG1 4.34Å; W95-V136 HydrophobicContact CE3-CG1 3.89Å; W95-V136 HydrophobicContact CG-CG1 4.38Å; Y130-V136 HydrophobicContact CD2-CG2 3.82Å; Y130-V136 HydrophobicContact CE2-CG2 3.95Å; A133-V136 HydrophobicContact CB-CG2 4.47Å; V136-F138 HydrophobicContact CB-CE2 3.71Å; V136-F138 HydrophobicContact CB-CZ 4.04Å; V136-F138 HydrophobicContact CG1-CD2 4.26Å; V136-F138 HydrophobicContact CG1-CE1 4.12Å; V136-F138 HydrophobicContact CG1-CE2 3.48Å; V136-F138 VanDerWaalsContact CG1-CE2 3.48Å; V136-F138 HydrophobicContact CG1-CZ 3.4Å; V136-F138 WeakPolarHBondContact O-CD2 3.25Å; V136-Q193 HydrophobicContact CG2-CG 4.17Å; V136-R194 PolarHBondContact N-O 3.07Å; V136-V196 PolarHBondContact O-N 3.21Å
137L94.8Very high86.7Confident0 Ų048.4 Ų48.40%027%0.272CS..EExtended strand (participates in β ladder)trans-101.5126.8-175.4-166.166.9000110.8V92 L93 L94 W95 W96 V196 M198 L221 W407V92-L137 HydrophobicContact CG1-CB 4.4Å; L93-L137 PolarHBondContact O-N 3.24Å; L94-L137 HydrophobicContact CD2-CB 4.17Å; L94-L137 HydrophobicContact CD2-CD2 3.82Å; W95-L137 WeakPolarHBondContact CB-O 3.35Å; W95-L137 PolarHBondContact N-O 2.71Å; W95-L137 VanDerWaalsContact N-O 3.08Å; W96-L137 HydrophobicContact CH2-CD2 4.02Å; W96-L137 HydrophobicContact CH2-CG 4.34Å; W96-L137 HydrophobicContact CZ3-CB 4.28Å; W96-L137 HydrophobicContact CZ3-CD2 4.08Å; W96-L137 HydrophobicContact CZ3-CG 3.95Å; W96-L137 WeakPolarHBondContact CZ3-O 3.44Å; L137-V196 HydrophobicContact CD1-CB 3.55Å; L137-V196 HydrophobicContact CD1-CG1 3.45Å; L137-V196 VanDerWaalsContact CD1-CG1 3.45Å; L137-M198 HydrophobicContact CD1-CB 3.87Å; L137-M198 HydrophobicContact CD2-SD 3.78Å; L137-M198 HydrophobicContact CG-CB 4.14Å; L137-M198 HydrophobicContact CG-SD 4.31Å; L137-L221 HydrophobicContact CD1-CD2 3.82Å; L137-L221 HydrophobicContact CD2-CD2 4.17Å; L137-W407 VanDerWaalsContact CD2-CD1 3.44Å; L137-W407 HydrophobicContact CD2-CG 4.47Å
138F92.9Very high85.6Confident2 Ų247.9 Ų47.91%0.00928%0.281CS..EExtended strand (participates in β ladder)trans-119.2113.5-177.8-61.9-89.6000110.8W95 V136 H140 L143 W150 P151 W195 V196 M198 F217W95-F138 HydrophobicContact CB-CD1 3.82Å; W95-F138 HydrophobicContact CB-CE1 3.79Å; W95-F138 HydrophobicContact CB-CG 4.49Å; W95-F138 HydrophobicContact CB-CZ 4.46Å; W95-F138 AromaticContact CD1-CD1 3.68Å; W95-F138 AromaticContact CD1-CE1 3.5Å; W95-F138 VanDerWaalsContact CD1-CE1 3.5Å; W95-F138 AromaticContact CD2-CE1 3.94Å; W95-F138 HydrophobicContact CD2-CE1 3.94Å; W95-F138 AromaticContact CG-CD1 3.78Å; W95-F138 HydrophobicContact CG-CD1 3.78Å; W95-F138 AromaticContact CG-CE1 3.42Å; W95-F138 HydrophobicContact CG-CE1 3.42Å; W95-F138 VanDerWaalsContact CG-CE1 3.42Å; W95-F138 HydrophobicContact CG-CZ 4.27Å; V136-F138 HydrophobicContact CB-CE2 3.71Å; V136-F138 HydrophobicContact CB-CZ 4.04Å; V136-F138 HydrophobicContact CG1-CD2 4.26Å; V136-F138 HydrophobicContact CG1-CE1 4.12Å; V136-F138 HydrophobicContact CG1-CE2 3.48Å; V136-F138 VanDerWaalsContact CG1-CE2 3.48Å; V136-F138 HydrophobicContact CG1-CZ 3.4Å; V136-F138 WeakPolarHBondContact O-CD2 3.25Å; F138-H140 PolarHBondContact O-N 2.93Å; F138-L143 HydrophobicContact CB-CD1 4.22Å; F138-L143 HydrophobicContact CB-CD2 4Å; F138-L143 HydrophobicContact CB-CG 4.39Å; F138-L143 HydrophobicContact CD1-CD2 3.95Å; F138-L143 HydrophobicContact CG-CD2 4.35Å; F138-W150 HydrophobicContact CD1-CE3 4.36Å; F138-W150 HydrophobicContact CD1-CZ3 4.1Å; F138-W150 HydrophobicContact CE1-CE3 4.08Å; F138-W150 HydrophobicContact CE1-CZ3 4.19Å; F138-P151 HydrophobicContact CE1-CG 3.9Å; F138-P151 HydrophobicContact CZ-CG 3.68Å; F138-W195 HydrophobicContact CD2-CB 4.4Å; F138-W195 HydrophobicContact CE2-CB 3.89Å; F138-W195 AromaticContact CE2-CD2 3.64Å; F138-W195 HydrophobicContact CE2-CD2 3.64Å; F138-W195 AromaticContact CE2-CE3 3.9Å; F138-W195 HydrophobicContact CE2-CE3 3.9Å; F138-W195 AromaticContact CE2-CG 3.66Å; F138-W195 HydrophobicContact CE2-CG 3.66Å; F138-W195 AromaticContact CZ-CD2 3.87Å; F138-W195 HydrophobicContact CZ-CD2 3.87Å; F138-W195 HydrophobicContact CZ-CE3 4Å; F138-W195 HydrophobicContact CZ-CG 4.31Å; F138-W195 HydrophobicContact CZ-CH2 4.44Å; F138-W195 HydrophobicContact CZ-CZ2 4.32Å; F138-W195 HydrophobicContact CZ-CZ3 4.28Å; F138-V196 PolarHBondContact N-O 3.46Å; F138-M198 PolarHBondContact O-N 2.89Å; F138-F217 HydrophobicContact CB-CE1 3.87Å; F138-F217 HydrophobicContact CB-CZ 4.28Å; F138-F217 HydrophobicContact CD2-CD1 4.36Å; F138-F217 AromaticContact CD2-CE1 3.61Å; F138-F217 HydrophobicContact CD2-CE1 3.61Å; F138-F217 HydrophobicContact CE2-CE1 4.34Å; F138-F217 AromaticContact CG-CE1 3.88Å; F138-F217 HydrophobicContact CG-CE1 3.88Å; F138-F217 HydrophobicContact CG-CZ 4.48Å
139H91.6Very high84.9Confident16 Ų1647.9 Ų47.97%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-75.1126.3172.4-173.5-63.2000110.3W96 F99 R141 D142 M198 W403W96-H139 HydrophobicContact CD2-CB 3.63Å; W96-H139 HydrophobicContact CE3-CB 3.63Å; W96-H139 HydrophobicContact CG-CB 4.43Å; W96-H139 HydrophobicContact CH2-CB 3.74Å; W96-H139 HydrophobicContact CZ2-CB 3.68Å; W96-H139 HydrophobicContact CZ3-CB 3.69Å; F99-H139 AromaticContact CZ-CD2 3.61Å; F99-H139 AromaticContact CZ-NE2 3.88Å; H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 VanDerWaalsContact CE1-CB 3.43Å; H139-R141 WeakPolarHBondContact CE1-CB 3.33Å; H139-R141 VanDerWaalsContact ND1-CB 3.3Å; H139-R141 WeakPolarHBondContact ND1-CB 3.22Å; H139-R141 PolarHBondContact ND1-N 2.9Å; H139-R141 PolarHBondContact O-N 2.74Å; H139-R141 VanDerWaalsContact O-N 3.13Å; H139-D142 WeakPolarHBondContact CB-OD2 3.21Å; H139-D142 IonicContact CG-OD2 3.15Å; H139-D142 IonicContact ND1-OD2 3.83Å; H139-D142 PolarHBondContact O-N 2.81Å; H139-M198 WeakPolarHBondContact CA-O 3.36Å; H139-M198 HydrophobicContact CB-CE 3.89Å; H139-M198 WeakPolarHBondContact CD2-CE 3.31Å; H139-W403 AromaticContact CD2-CH2 3.56Å; H139-W403 AromaticContact CD2-CZ2 3.87Å; H139-W403 AromaticContact NE2-CH2 3.23Å; H139-W403 WeakPolarHBondContact NE2-CH2 3.49Å; H139-W403 AromaticContact NE2-CZ2 3.51Å
140H91.3Very high84.5Confident5 Ų549.9 Ų49.92%0.02328%0.275CS..Hα-helixtrans-47.2-48.4-17617267000114.2F138 D142 L143 V144 W197 M198 N199 T206 P207F138-H140 PolarHBondContact O-N 2.93Å; H140-D142 PolarHBondContact O-N 2.9Å; H140-D142 VanDerWaalsContact O-N 3.12Å; H140-L143 VanDerWaalsContact O-CB 3.31Å; H140-L143 WeakPolarHBondContact O-CB 3.45Å; H140-L143 PolarHBondContact O-N 2.99Å; H140-V144 PolarHBondContact O-N 2.87Å; H140-W197 HydrophobicContact CB-CZ2 4.14Å; H140-W197 AromaticContact CG-NE1 3.86Å; H140-W197 AromaticContact ND1-NE1 3.59Å; H140-M198 PolarHBondContact N-O 2.96Å; H140-N199 HydrophobicContact CB-CB 3.9Å; H140-T206 WeakPolarHBondContact CD2-CG2 3.48Å; H140-T206 WeakPolarHBondContact NE2-CG2 3.48Å; H140-P207 PolarHBondContact CE1-O 2.66Å; H140-P207 PolarHBondContact NE2-O 2.77Å
141R86.9Confident84.2Confident89 Ų8949.7 Ų49.734%0.33628%0.275SS..Hα-helixtrans-51.6-35.9179.7-168.8-164.675.4169.24.8113.6F99 H139 L143 K145F99-R141 VanDerWaalsContact CE1-NH1 3.28Å; H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 VanDerWaalsContact CE1-CB 3.43Å; H139-R141 WeakPolarHBondContact CE1-CB 3.33Å; H139-R141 VanDerWaalsContact ND1-CB 3.3Å; H139-R141 WeakPolarHBondContact ND1-CB 3.22Å; H139-R141 PolarHBondContact ND1-N 2.9Å; H139-R141 PolarHBondContact O-N 2.74Å; H139-R141 VanDerWaalsContact O-N 3.13Å; R141-L143 VanDerWaalsContact C-N 3.33Å; R141-K145 HydrophobicContact CG-CD 3.78Å; R141-K145 HydrophobicContact CG-CG 4.28Å; R141-K145 WeakPolarHBondContact O-CB 3.42Å; R141-K145 VanDerWaalsContact O-CG 3.31Å; R141-K145 WeakPolarHBondContact O-CG 3.38Å; R141-K145 PolarHBondContact O-N 3.47Å
142D82.3Confident83.7Confident44 Ų4451.2 Ų51.224%0.23528%0.28CS..Hα-helixtrans-86.4-12.2-175.4-50.9-47.4000111.3W96 H139 H140W96-D142 HydrophobicContact CB-CB 4.39Å; W96-D142 VanDerWaalsContact CD1-OD2 3.25Å; W96-D142 VanDerWaalsContact CG-OD2 3.29Å; H139-D142 WeakPolarHBondContact CB-OD2 3.21Å; H139-D142 IonicContact CG-OD2 3.15Å; H139-D142 IonicContact ND1-OD2 3.83Å; H139-D142 PolarHBondContact O-N 2.81Å; H140-D142 PolarHBondContact O-N 2.9Å; H140-D142 VanDerWaalsContact O-N 3.12Å
143L82.9Confident83.1Confident19 Ų1945.9 Ų45.910%0.09926%0.258CS..Hα-helixtrans-79.4-21.5169.8-55178.8000113.2F138 H140 R141 W150 L212 F217F138-L143 HydrophobicContact CB-CD1 4.22Å; F138-L143 HydrophobicContact CB-CD2 4Å; F138-L143 HydrophobicContact CB-CG 4.39Å; F138-L143 HydrophobicContact CD1-CD2 3.95Å; F138-L143 HydrophobicContact CG-CD2 4.35Å; H140-L143 VanDerWaalsContact O-CB 3.31Å; H140-L143 WeakPolarHBondContact O-CB 3.45Å; H140-L143 PolarHBondContact O-N 2.99Å; R141-L143 VanDerWaalsContact C-N 3.33Å; L143-W150 HydrophobicContact CB-CH2 4.39Å; L143-W150 HydrophobicContact CD1-CH2 3.96Å; L143-W150 HydrophobicContact CD2-CE3 4.2Å; L143-W150 HydrophobicContact CD2-CH2 3.33Å; L143-W150 HydrophobicContact CD2-CZ2 3.97Å; L143-W150 HydrophobicContact CD2-CZ3 3.47Å; L143-W150 VanDerWaalsContact CD2-CZ3 3.47Å; L143-W150 HydrophobicContact CG-CH2 4.08Å; L143-L212 HydrophobicContact CB-CD2 4.32Å; L143-L212 HydrophobicContact CD1-CD1 4.39Å; L143-L212 HydrophobicContact CD1-CD2 4.41Å; L143-F217 HydrophobicContact CD1-CE2 4.09Å; L143-F217 HydrophobicContact CD1-CZ 3.53Å
144V77.5Confident82.2Confident54 Ų5451.7 Ų51.733%0.32728%0.279SS..Hα-helixtrans-118.8-3.1-171.5-57.50000113.7H140H140-V144 PolarHBondContact O-N 2.87Å
145K68Low80.9Confident139 Ų13949.2 Ų49.260%0.60428%0.275SS*.SBendtrans-106.8109.1175.9-75.5-169.2-178.6-1730110.5R141R141-K145 HydrophobicContact CG-CD 3.78Å; R141-K145 HydrophobicContact CG-CG 4.28Å; R141-K145 WeakPolarHBondContact O-CB 3.42Å; R141-K145 VanDerWaalsContact O-CG 3.31Å; R141-K145 WeakPolarHBondContact O-CG 3.38Å; R141-K145 PolarHBondContact O-N 3.47Å
146G64.8Low79.3Confident59 Ų5951.1 Ų51.161%0.60829%0.291SS*.SBendtrans89.3-174.4177.900000112.8
147P64.9Low77.3Confident117 Ų11758.5 Ų58.576%0.7633%0.325SS*.SBendtrans-59.2139.8173.825.7-32.5000109.6D149P147-D149 PolarHBondContact O-N 3.01Å; P147-D149 VanDerWaalsContact O-N 3.1Å
148P66.3Low75Confident88 Ų8866.2 Ų66.257%0.57136%0.361SS*.  trans-62.8115.6-178.5-17.729.3000111.2W150P148-W150 HydrophobicContact CB-CG 4.45Å; P148-W150 PolarHBondContact O-N 3.33Å
149D76.2Confident72.8Confident84 Ų8473.2 Ų73.245%0.44939%0.388SS..  trans-97.376.8177.6177.522.2000108.6W95 R127 P147W95-D149 PolarHBondContact NE1-O 2.79Å; R127-D149 IonicContact CZ-OD1 2.93Å; R127-D149 IonicContact CZ-OD2 2.69Å; R127-D149 IonicContact NH1-OD1 3.66Å; R127-D149 PolarHBondContact NH1-OD1 3.21Å; R127-D149 IonicContact NH1-OD2 2.83Å; R127-D149 PolarHBondContact NH1-OD2 3.11Å; R127-D149 IonicContact NH2-OD2 2.74Å; R127-D149 PolarHBondContact NH2-OD2 3.23Å; P147-D149 PolarHBondContact O-N 3.01Å; P147-D149 VanDerWaalsContact O-N 3.1Å
150W82.3Confident70.5Confident55 Ų5576.3 Ų76.321%0.20841%0.408CS..PPolyproline II helixtrans-90155.8-179.7-66.2110.3000111.6F138 L143 P148 W195 L212 L216 F217F138-W150 HydrophobicContact CD1-CE3 4.36Å; F138-W150 HydrophobicContact CD1-CZ3 4.1Å; F138-W150 HydrophobicContact CE1-CE3 4.08Å; F138-W150 HydrophobicContact CE1-CZ3 4.19Å; L143-W150 HydrophobicContact CB-CH2 4.39Å; L143-W150 HydrophobicContact CD1-CH2 3.96Å; L143-W150 HydrophobicContact CD2-CE3 4.2Å; L143-W150 HydrophobicContact CD2-CH2 3.33Å; L143-W150 HydrophobicContact CD2-CZ2 3.97Å; L143-W150 HydrophobicContact CD2-CZ3 3.47Å; L143-W150 VanDerWaalsContact CD2-CZ3 3.47Å; L143-W150 HydrophobicContact CG-CH2 4.08Å; P148-W150 HydrophobicContact CB-CG 4.45Å; P148-W150 PolarHBondContact O-N 3.33Å; W150-W195 HydrophobicContact CE3-CH2 4.4Å; W150-W195 AromaticContact CE3-CZ3 3.91Å; W150-W195 HydrophobicContact CE3-CZ3 3.91Å; W150-W195 HydrophobicContact CZ3-CZ3 4.09Å; W150-L212 HydrophobicContact CH2-CD2 4.13Å; W150-L212 HydrophobicContact CZ2-CD2 3.94Å; W150-L216 HydrophobicContact CH2-CD2 3.54Å; W150-L216 HydrophobicContact CZ2-CD2 3.96Å; W150-L216 HydrophobicContact CZ3-CD2 4.06Å; W150-F217 HydrophobicContact CH2-CE2 4.41Å; W150-F217 AromaticContact CH2-CZ 3.86Å; W150-F217 HydrophobicContact CH2-CZ 3.86Å; W150-F217 HydrophobicContact CZ3-CE1 4.49Å; W150-F217 AromaticContact CZ3-CZ 3.94Å; W150-F217 HydrophobicContact CZ3-CZ 3.94Å
151P85.1Confident68.1Low9 Ų982.8 Ų82.86%0.05844%0.443CS..PPolyproline II helixtrans-56.8147.7168.6-1727.5000111.2W95 Y130 F138 W195W95-P151 HydrophobicContact CD2-CG 3.84Å; W95-P151 HydrophobicContact CE3-CB 4.42Å; W95-P151 HydrophobicContact CE3-CG 3.81Å; W95-P151 HydrophobicContact CH2-CB 3.47Å; W95-P151 VanDerWaalsContact CH2-CB 3.47Å; W95-P151 HydrophobicContact CH2-CG 3.63Å; W95-P151 HydrophobicContact CZ2-CB 3.81Å; W95-P151 HydrophobicContact CZ2-CG 3.64Å; W95-P151 HydrophobicContact CZ3-CB 3.79Å; W95-P151 HydrophobicContact CZ3-CG 3.7Å; Y130-P151 HydrophobicContact CD1-CB 4.03Å; Y130-P151 HydrophobicContact CD2-CB 3.77Å; Y130-P151 HydrophobicContact CD2-CG 4.12Å; Y130-P151 HydrophobicContact CE1-CB 3.73Å; Y130-P151 HydrophobicContact CE2-CB 3.46Å; Y130-P151 VanDerWaalsContact CE2-CB 3.46Å; Y130-P151 HydrophobicContact CE2-CG 3.76Å; Y130-P151 HydrophobicContact CG-CB 4.06Å; Y130-P151 VanDerWaalsContact CZ-CB 3.46Å; F138-P151 HydrophobicContact CE1-CG 3.9Å; F138-P151 HydrophobicContact CZ-CG 3.68Å; P151-W195 HydrophobicContact CB-CZ2 4.17Å; P151-W195 HydrophobicContact CG-CH2 4.04Å; P151-W195 HydrophobicContact CG-CZ2 3.72Å
152P80.8Confident65.8Low62 Ų6286.8 Ų86.840%0.40347%0.465SS..PPolyproline II helixtrans-59.2147.8174.127.5-34.3000109.6Y130 W154Y130-P152 HydrophobicContact CD1-CG 4.42Å; Y130-P152 WeakPolarHBondContact CE1-O 3.18Å; P152-W154 PolarHBondContact O-N 2.86Å
153P78.1Confident63.9Low41 Ų4188 Ų8827%0.26648%0.482SS..PPolyproline II helixtrans-56.3132.9174.8-23.332.5000111.2G155 A156 T185 S188P153-G155 PolarHBondContact O-N 3.09Å; P153-A156 HydrophobicContact CB-CB 4.16Å; P153-A156 VanDerWaalsContact O-CB 3.28Å; P153-A156 WeakPolarHBondContact O-CB 3.35Å; P153-A156 PolarHBondContact O-N 2.94Å; P153-A156 VanDerWaalsContact O-N 3.09Å; P153-T185 WeakPolarHBondContact CG-OG1 3.26Å; P153-S188 WeakPolarHBondContact CA-OG 3.48Å; P153-S188 WeakPolarHBondContact CB-OG 3.43Å
154W76.1Confident61.8Low124 Ų12494.3 Ų94.347%0.4751%0.514SS..THydrogen-bonded Turntrans-58.1131.4173.1-177.1-112.5000110.5P152 A156 S188 P190P152-W154 PolarHBondContact O-N 2.86Å; W154-A156 VanDerWaalsContact C-N 3.34Å; W154-S188 VanDerWaalsContact CB-C 3.47Å; W154-S188 VanDerWaalsContact CB-O 3.23Å; W154-S188 WeakPolarHBondContact CB-O 3.36Å; W154-S188 PolarHBondContact N-O 2.94Å; W154-S188 PolarHBondContact N-OG 3.32Å; W154-S188 PolarHBondContact O-OG 2.85Å; W154-S188 VanDerWaalsContact O-OG 3.1Å; W154-P190 HydrophobicContact CD2-CB 4.23Å; W154-P190 HydrophobicContact CD2-CG 3.79Å; W154-P190 HydrophobicContact CE3-CB 4.41Å; W154-P190 HydrophobicContact CE3-CG 3.57Å; W154-P190 HydrophobicContact CG-CG 4.39Å; W154-P190 HydrophobicContact CH2-CG 4.29Å; W154-P190 HydrophobicContact CZ2-CB 4.4Å; W154-P190 HydrophobicContact CZ2-CG 4.49Å; W154-P190 HydrophobicContact CZ3-CG 3.85Å
155G66.9Low60Low27 Ų2799.6 Ų99.628%0.27854%0.535SS..THydrogen-bonded Turntrans83.2-3.2-176.400000115.5P153 Q157P153-G155 PolarHBondContact O-N 3.09Å; G155-Q157 VanDerWaalsContact C-N 3.31Å
156A61.2Low58.9Low39 Ų39100.1 Ų100.132%0.32254%0.544SS..Hα-helixtrans-71.5-27.1173.700000112.6P153 W154 R159 T160P153-A156 HydrophobicContact CB-CB 4.16Å; P153-A156 VanDerWaalsContact O-CB 3.28Å; P153-A156 WeakPolarHBondContact O-CB 3.35Å; P153-A156 PolarHBondContact O-N 2.94Å; P153-A156 VanDerWaalsContact O-N 3.09Å; W154-A156 VanDerWaalsContact C-N 3.34Å; A156-R159 PolarHBondContact O-N 2.86Å; A156-T160 PolarHBondContact O-N 2.84Å
157Q53Low57.9Low156 Ų156107.3 Ų107.373%0.72955%0.553SS**Hα-helixtrans-73.3-26.9-179.9-126.5163.6-36.800113.4G155 T160G155-Q157 VanDerWaalsContact C-N 3.31Å; Q157-T160 PolarHBondContact O-OG1 3.46Å
158E46.6Very low56.8Low162 Ų162108.8 Ų108.876%0.75756%0.56SS**Hα-helixtrans-77.6-26.4171.6-70.1-171.8160.900111.6
159R45.3Very low55.7Low148 Ų148111.8 Ų111.856%0.55856%0.564SS**Hα-helixtrans-80-20.9-176.8-130.5-177.7-74.8-173.9-3.9113.3A156 D161 E162 A163 E181A156-R159 PolarHBondContact O-N 2.86Å; R159-D161 VanDerWaalsContact C-N 3.3Å; R159-D161 PolarHBondContact O-N 3.16Å; R159-E162 PolarHBondContact O-N 2.91Å; R159-A163 WeakPolarHBondContact O-CB 3.43Å; R159-A163 PolarHBondContact O-N 2.93Å; R159-E181 IonicContact NH1-OE1 3.97Å
160T43.3Very low54.6Low81 Ų81114.4 Ų114.450%0.49758%0.578SS.*Hα-helixtrans-70.2-25.4176.943.40000113.4A156 Q157A156-T160 PolarHBondContact O-N 2.84Å; Q157-T160 PolarHBondContact O-OG1 3.46Å
161D41.1Very low53.8Low142 Ų142118.4 Ų118.476%0.75960%0.603SS**Hα-helixtrans-79.4-24.5176.1-73.2-8.9000112.2R159R159-D161 VanDerWaalsContact C-N 3.3Å; R159-D161 PolarHBondContact O-N 3.16Å
162E40.2Very low52.3Low173 Ų173125.6 Ų125.681%0.80864%0.636SS**Hα-helixtrans-97-21.8174.8-73.4-170.5152.400114.3R159R159-E162 PolarHBondContact O-N 2.91Å
163A40.6Very low51Low70 Ų70130.5 Ų130.558%0.57965%0.654SS**THydrogen-bonded Turntrans-93.36.9-176.500000114.6R159 E165R159-A163 WeakPolarHBondContact O-CB 3.43Å; R159-A163 PolarHBondContact O-N 2.93Å; A163-E165 PolarHBondContact O-N 2.92Å
164L39.7Very low49.9Very low150 Ų150129.9 Ų129.979%0.78565%0.654SS**THydrogen-bonded Turntrans-79.57175.9-117.9143.6000113.7
165E40.2Very low48.8Very low165 Ų165126.8 Ų126.877%0.77166%0.655SS**SBendtrans-115.6114162.5-77.6-165.5153.500112A163A163-E165 PolarHBondContact O-N 2.92Å
166L44.8Very low48.1Very low150 Ų150129.7 Ų129.779%0.78567%0.667SS**  trans71.6103.4161.4-71.9140.6000117.6
167R42.4Very low47.7Very low210 Ų210133.2 Ų133.279%0.79268%0.679SS**  179.3111.5109.7-88148.6-167-142.511.2111.1F169R167-F169 HydrophobicContact CB-CD2 3.77Å; R167-F169 HydrophobicContact CB-CE2 3.71Å; R167-F169 HydrophobicContact CG-CD2 4.12Å; R167-F169 HydrophobicContact CG-CE2 3.51Å; R167-F169 HydrophobicContact CG-CZ 4.3Å
168V43Very low47.9Very low149 Ų149131.3 Ų131.390%0.90367%0.673SS**  trans-84.5109.6162.7178.50000106.5
169F43.6Very low48.1Very low151 Ų151126.2 Ų126.266%0.66266%0.658SS**  trans-121.7146.2167.4-75.8-67.1000109.7R167R167-F169 HydrophobicContact CB-CD2 3.77Å; R167-F169 HydrophobicContact CB-CE2 3.71Å; R167-F169 HydrophobicContact CG-CD2 4.12Å; R167-F169 HydrophobicContact CG-CE2 3.51Å; R167-F169 HydrophobicContact CG-CZ 4.3Å
170D52.3Low48.5Very low138 Ų138126.4 Ų126.474%0.73866%0.659SS**  trans-51.5147.8-171.9-124.3-9.9000113.6Q172D170-Q172 VanDerWaalsContact C-N 3.33Å; D170-Q172 PolarHBondContact O-N 2.9Å
171D65Low48.9Very low140 Ų140126.9 Ų126.975%0.74966%0.656SS**THydrogen-bonded Turntrans-82.522.3-147.145.13.9000116.6
172Q53.9Low49.4Very low160 Ų160122.4 Ų122.475%0.74864%0.638SS**THydrogen-bonded Turntrans-129.3-40.3168.8-74.2-170.7-18.800113.8D170 A175 V176D170-Q172 VanDerWaalsContact C-N 3.33Å; D170-Q172 PolarHBondContact O-N 2.9Å; Q172-A175 PolarHBondContact O-N 3.32Å; Q172-V176 VanDerWaalsContact O-CG2 3.31Å; Q172-V176 WeakPolarHBondContact O-CG2 3.16Å; Q172-V176 PolarHBondContact O-N 3.35Å; Q172-V176 VanDerWaalsContact O-N 3.15Å
173E54.6Low50Low165 Ų165120.5 Ų120.577%0.77163%0.633SS**Hα-helixtrans-76-35.9-177.5-147.2167-158.300111.3V176 M177E173-V176 PolarHBondContact O-N 3.09Å; E173-M177 WeakPolarHBondContact O-CB 3.45Å; E173-M177 WeakPolarHBondContact O-CG 3.38Å; E173-M177 PolarHBondContact O-N 3.48Å
174G54.8Low50.5Low27 Ų27124.3 Ų124.328%0.27864%0.639SS.*Hα-helixtrans-64.3-38172.100000113.2M177 L178G174-M177 PolarHBondContact O-N 3.39Å; G174-L178 VanDerWaalsContact O-CB 3.31Å; G174-L178 WeakPolarHBondContact O-CB 3.28Å; G174-L178 VanDerWaalsContact O-CG 3.29Å; G174-L178 WeakPolarHBondContact O-CG 3.07Å; G174-L178 PolarHBondContact O-N 3.31Å
175A52.3Low51.1Low59 Ų59119 Ų11949%0.48861%0.612SS.*Hα-helixtrans-69-38.3176.700000112.2Q172 A179Q172-A175 PolarHBondContact O-N 3.32Å; A175-A179 VanDerWaalsContact O-CB 3.23Å; A175-A179 WeakPolarHBondContact O-CB 3.41Å; A175-A179 PolarHBondContact O-N 2.85Å
176V53.1Low51.7Low88 Ų88113.8 Ų113.853%0.53359%0.592SS.*Hα-helixtrans-69.8-39.2175.3173.60000111.3Q172 E173 A179 R180Q172-V176 VanDerWaalsContact O-CG2 3.31Å; Q172-V176 WeakPolarHBondContact O-CG2 3.16Å; Q172-V176 PolarHBondContact O-N 3.35Å; Q172-V176 VanDerWaalsContact O-N 3.15Å; E173-V176 PolarHBondContact O-N 3.09Å; V176-A179 PolarHBondContact O-N 2.83Å; V176-R180 WeakPolarHBondContact O-CB 3.31Å; V176-R180 WeakPolarHBondContact O-CG 3.25Å; V176-R180 PolarHBondContact O-N 2.81Å
177M52.7Low52.2Low114 Ų114108.2 Ų108.256%0.56257%0.57SS**Hα-helixtrans-66.1-44.1174.1-77.5-65.4-68.800112E173 G174 A179 R180 E181E173-M177 WeakPolarHBondContact O-CB 3.45Å; E173-M177 WeakPolarHBondContact O-CG 3.38Å; E173-M177 PolarHBondContact O-N 3.48Å; G174-M177 PolarHBondContact O-N 3.39Å; M177-A179 VanDerWaalsContact C-N 3.34Å; M177-A179 PolarHBondContact O-N 2.86Å; M177-R180 PolarHBondContact O-N 3.01Å; M177-E181 WeakPolarHBondContact O-CB 3.37Å; M177-E181 PolarHBondContact O-N 2.84Å
178L55.6Low53.5Low116 Ų116100.2 Ų100.261%0.60755%0.547SS*.Hα-helixtrans-63.9-36.9173.5-77.4166.8000112.2G174 A182G174-L178 VanDerWaalsContact O-CB 3.31Å; G174-L178 WeakPolarHBondContact O-CB 3.28Å; G174-L178 VanDerWaalsContact O-CG 3.29Å; G174-L178 WeakPolarHBondContact O-CG 3.07Å; G174-L178 PolarHBondContact O-N 3.31Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.45Å
179A52Low55.4Low54 Ų5495.6 Ų95.645%0.44651%0.513SS..Hα-helixtrans-68.8-36.7174.800000112.2A175 V176 M177 L183A175-A179 VanDerWaalsContact O-CB 3.23Å; A175-A179 WeakPolarHBondContact O-CB 3.41Å; A175-A179 PolarHBondContact O-N 2.85Å; V176-A179 PolarHBondContact O-N 2.83Å; M177-A179 VanDerWaalsContact C-N 3.34Å; M177-A179 PolarHBondContact O-N 2.86Å; A179-L183 WeakPolarHBondContact O-CB 3.27Å; A179-L183 PolarHBondContact O-N 2.71Å
180R52.6Low57.4Low153 Ų15388.9 Ų88.958%0.57749%0.485SS*.Hα-helixtrans-70-43.8173.6-77.1178.575.5168.92.8111.7V176 M177 L183 E184V176-R180 WeakPolarHBondContact O-CB 3.31Å; V176-R180 WeakPolarHBondContact O-CG 3.25Å; V176-R180 PolarHBondContact O-N 2.81Å; M177-R180 PolarHBondContact O-N 3.01Å; R180-L183 CarbonylContact O-C 3.54Å; R180-L183 WeakPolarHBondContact O-CB 3.42Å; R180-L183 PolarHBondContact O-N 3.38Å; R180-L183 VanDerWaalsContact O-N 3.15Å; R180-E184 WeakPolarHBondContact O-CB 3.27Å; R180-E184 WeakPolarHBondContact O-CG 3.43Å; R180-E184 PolarHBondContact O-N 3.27Å
181E53.5Low59Low91 Ų9188.1 Ų88.143%0.42549%0.487SS..Hα-helixtrans-66.1-38.3175.6-168.6173.5-172.700110.9R159 M177 L183 E184 T185R159-E181 IonicContact NH1-OE1 3.97Å; M177-E181 WeakPolarHBondContact O-CB 3.37Å; M177-E181 PolarHBondContact O-N 2.84Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.43Å; E181-E184 PolarHBondContact O-N 3.3Å; E181-T185 HydrophobicContact CG-CG2 4.29Å; E181-T185 VanDerWaalsContact O-CB 3.25Å; E181-T185 WeakPolarHBondContact O-CB 2.93Å; E181-T185 WeakPolarHBondContact O-CG2 3.07Å; E181-T185 PolarHBondContact O-N 3.24Å; E181-T185 PolarHBondContact O-OG1 3.11Å
182A50.9Low60Low47 Ų4784.1 Ų84.139%0.38848%0.479SS..Hα-helixtrans-61.7-39.6170.300000111.7L178 T185 T186L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.45Å; A182-T185 WeakPolarHBondContact CA-OG1 3.39Å; A182-T185 PolarHBondContact O-OG1 3.38Å; A182-T186 WeakPolarHBondContact O-CG2 3.26Å; A182-T186 PolarHBondContact O-N 2.84Å
183L52.1Low61.7Low133 Ų13376.8 Ų76.870%0.69645%0.445SS*.Hα-helixtrans-70.7-34173.6-113.290.3000113.2A179 R180 E181 T185 T186A179-L183 WeakPolarHBondContact O-CB 3.27Å; A179-L183 PolarHBondContact O-N 2.71Å; R180-L183 CarbonylContact O-C 3.54Å; R180-L183 WeakPolarHBondContact O-CB 3.42Å; R180-L183 PolarHBondContact O-N 3.38Å; R180-L183 VanDerWaalsContact O-N 3.15Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.43Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-T186 VanDerWaalsContact C-OG1 3.31Å; L183-T186 WeakPolarHBondContact CA-OG1 3.4Å; L183-T186 PolarHBondContact O-OG1 3.41Å
184E51.7Low63.5Low151 Ų15169.8 Ų69.871%0.70641%0.411SS*.Hα-helixtrans-75.5-26.7176.7-74.4174.2-174.300111.7R180 E181R180-E184 WeakPolarHBondContact O-CB 3.27Å; R180-E184 WeakPolarHBondContact O-CG 3.43Å; R180-E184 PolarHBondContact O-N 3.27Å; E181-E184 PolarHBondContact O-N 3.3Å
185T51.9Low65.4Low37 Ų3768.8 Ų68.823%0.22740%0.399CS..Hα-helixtrans-95.8-10.7176.859.70000113.8P153 E181 A182 L183 G187 S188P153-T185 WeakPolarHBondContact CG-OG1 3.26Å; E181-T185 HydrophobicContact CG-CG2 4.29Å; E181-T185 VanDerWaalsContact O-CB 3.25Å; E181-T185 WeakPolarHBondContact O-CB 2.93Å; E181-T185 WeakPolarHBondContact O-CG2 3.07Å; E181-T185 PolarHBondContact O-N 3.24Å; E181-T185 PolarHBondContact O-OG1 3.11Å; A182-T185 WeakPolarHBondContact CA-OG1 3.39Å; A182-T185 PolarHBondContact O-OG1 3.38Å; L183-T185 VanDerWaalsContact C-N 3.34Å; T185-G187 PolarHBondContact O-N 3.28Å; T185-S188 PolarHBondContact O-N 3.13Å
186T52.2Low67.4Low57 Ų5766 Ų6635%0.3538%0.376SS..THydrogen-bonded Turntrans-59.7102.716746.80000109.2A182 L183A182-T186 WeakPolarHBondContact O-CG2 3.26Å; A182-T186 PolarHBondContact O-N 2.84Å; L183-T186 VanDerWaalsContact C-OG1 3.31Å; L183-T186 WeakPolarHBondContact CA-OG1 3.4Å; L183-T186 PolarHBondContact O-OG1 3.41Å
187G56Low69.4Low32 Ų3261.8 Ų61.833%0.3335%0.35SS..THydrogen-bonded Turntrans123.2-6.7-177.300000114.6T185 R189T185-G187 PolarHBondContact O-N 3.28Å; G187-R189 PolarHBondContact O-N 3.03Å; G187-R189 VanDerWaalsContact O-N 3.16Å
188S69.8Low71.5Confident42 Ų4256.3 Ų56.329%0.29432%0.324SS..  trans-71.9110.5165.177.80000108.6P153 W154 T185P153-S188 WeakPolarHBondContact CA-OG 3.48Å; P153-S188 WeakPolarHBondContact CB-OG 3.43Å; W154-S188 VanDerWaalsContact CB-C 3.47Å; W154-S188 VanDerWaalsContact CB-O 3.23Å; W154-S188 WeakPolarHBondContact CB-O 3.36Å; W154-S188 PolarHBondContact N-O 2.94Å; W154-S188 PolarHBondContact N-OG 3.32Å; W154-S188 PolarHBondContact O-OG 2.85Å; W154-S188 VanDerWaalsContact O-OG 3.1Å; T185-S188 PolarHBondContact O-N 3.13Å
189R82.3Confident73.4Confident52 Ų5250.9 Ų50.920%0.19630%0.295CS..  trans-126157.3178.959.9-177.9164-132.9-12.5109.4G187 Q193 W195 L216 N218G187-R189 PolarHBondContact O-N 3.03Å; G187-R189 VanDerWaalsContact O-N 3.16Å; R189-Q193 WeakPolarHBondContact CD-O 3.37Å; R189-W195 HydrophobicContact CB-CZ2 4.48Å; R189-L216 PolarHBondContact NH1-O 3.25Å; R189-N218 VanDerWaalsContact CZ-CG 3.46Å; R189-N218 PolarHBondContact NE-OD1 3.23Å; R189-N218 PolarHBondContact NH1-OD1 2.6Å; R189-N218 PolarHBondContact NH2-ND2 3.5Å; R189-N218 PolarHBondContact NH2-OD1 3.02Å
190P87.3Confident75.5Confident11 Ų1148.6 Ų48.67%0.07128%0.275CS..  trans-48.2136.3173.1-24.529.2000111.5W154 G192 Q193W154-P190 HydrophobicContact CD2-CB 4.23Å; W154-P190 HydrophobicContact CD2-CG 3.79Å; W154-P190 HydrophobicContact CE3-CB 4.41Å; W154-P190 HydrophobicContact CE3-CG 3.57Å; W154-P190 HydrophobicContact CG-CG 4.39Å; W154-P190 HydrophobicContact CH2-CG 4.29Å; W154-P190 HydrophobicContact CZ2-CB 4.4Å; W154-P190 HydrophobicContact CZ2-CG 4.49Å; W154-P190 HydrophobicContact CZ3-CG 3.85Å; P190-G192 PolarHBondContact O-N 2.02Å; P190-Q193 HydrophobicContact CB-CB 4.05Å; P190-Q193 HydrophobicContact CG-CB 4.36Å; P190-Q193 VanDerWaalsContact O-CB 3.3Å; P190-Q193 WeakPolarHBondContact O-CB 3.28Å; P190-Q193 PolarHBondContact O-N 2.94Å
191P84.6Confident77.6Confident122 Ų12245.1 Ų45.179%0.79227%0.266SS*.THydrogen-bonded Turntrans-52.2129.5176.5-27.334.8000111.3Q193P191-Q193 VanDerWaalsContact C-N 3.27Å; P191-Q193 PolarHBondContact O-N 3.34Å
192G85.3Confident79.6Confident56 Ų5640.8 Ų40.858%0.57725%0.245SC*.THydrogen-bonded Turntrans83.4-16.4-178.800000115.4P190 R194P190-G192 PolarHBondContact O-N 2.02Å; G192-R194 PolarHBondContact O-N 3.23Å; G192-R194 PolarHBondContact O-NH1 3.03Å
193Q90.6Very high81.7Confident5 Ų539.2 Ų39.22%0.02323%0.231CC..PPolyproline II helixtrans-63.9137176.5-177.3179.388.400111.5Y130 A133 Q134 V136 R189 P190 P191 W195 N218Y130-Q193 PolarHBondContact O-NE2 3.11Å; A133-Q193 WeakPolarHBondContact O-CG 3.43Å; A133-Q193 PolarHBondContact O-NE2 3.38Å; Q134-Q193 WeakPolarHBondContact O-CA 3.29Å; V136-Q193 HydrophobicContact CG2-CG 4.17Å; R189-Q193 WeakPolarHBondContact CD-O 3.37Å; P190-Q193 HydrophobicContact CB-CB 4.05Å; P190-Q193 HydrophobicContact CG-CB 4.36Å; P190-Q193 VanDerWaalsContact O-CB 3.3Å; P190-Q193 WeakPolarHBondContact O-CB 3.28Å; P190-Q193 PolarHBondContact O-N 2.94Å; P191-Q193 VanDerWaalsContact C-N 3.27Å; P191-Q193 PolarHBondContact O-N 3.34Å; Q193-W195 VanDerWaalsContact OE1-NE1 3.08Å; Q193-N218 PolarHBondContact O-OD1 2.87Å
194R92.2Very high83.7Confident19 Ų1936.8 Ų36.87%0.07223%0.225CC..EExtended strand (participates in β ladder)trans-99.2119.1177.8-57.8-63.9-172.7-108.85.1111.1Q134 A135 V136 G192 V196 N218 W219 G418 Q420Q134-R194 PolarHBondContact O-N 3.03Å; A135-R194 CarbonylContact C-O 3.51Å; A135-R194 WeakPolarHBondContact CA-O 3.15Å; A135-R194 HydrophobicContact CB-CB 4.02Å; A135-R194 WeakPolarHBondContact CB-O 3.42Å; V136-R194 PolarHBondContact N-O 3.07Å; G192-R194 PolarHBondContact O-N 3.23Å; G192-R194 PolarHBondContact O-NH1 3.03Å; R194-V196 HydrophobicContact CB-CG2 4.39Å; R194-N218 WeakPolarHBondContact CA-OD1 3.31Å; R194-W219 HydrophobicContact CB-CD2 4.33Å; R194-W219 HydrophobicContact CB-CE3 4.31Å; R194-W219 HydrophobicContact CG-CD2 4.27Å; R194-W219 HydrophobicContact CG-CE3 4.39Å; R194-W219 HydrophobicContact CG-CH2 4.14Å; R194-W219 HydrophobicContact CG-CZ2 4Å; R194-W219 HydrophobicContact CG-CZ3 4.34Å; R194-G418 PolarHBondContact NH2-O 2.94Å; R194-Q420 PolarHBondContact NH2-O 2.87Å
195W93.9Very high85.7Confident5 Ų532.4 Ų32.42%0.01921%0.205CC..EExtended strand (participates in β ladder)trans-87.1124.1163.8-72.117.1000109.5Y130 F138 W150 P151 R189 Q193 L216 F217 N218 W219Y130-W195 HydrophobicContact CE2-CZ2 4.21Å; Y130-W195 AromaticContact CE2-NE1 3.78Å; Y130-W195 WeakPolarHBondContact OH-CZ2 3.35Å; F138-W195 HydrophobicContact CD2-CB 4.4Å; F138-W195 HydrophobicContact CE2-CB 3.89Å; F138-W195 AromaticContact CE2-CD2 3.64Å; F138-W195 HydrophobicContact CE2-CD2 3.64Å; F138-W195 AromaticContact CE2-CE3 3.9Å; F138-W195 HydrophobicContact CE2-CE3 3.9Å; F138-W195 AromaticContact CE2-CG 3.66Å; F138-W195 HydrophobicContact CE2-CG 3.66Å; F138-W195 AromaticContact CZ-CD2 3.87Å; F138-W195 HydrophobicContact CZ-CD2 3.87Å; F138-W195 HydrophobicContact CZ-CE3 4Å; F138-W195 HydrophobicContact CZ-CG 4.31Å; F138-W195 HydrophobicContact CZ-CH2 4.44Å; F138-W195 HydrophobicContact CZ-CZ2 4.32Å; F138-W195 HydrophobicContact CZ-CZ3 4.28Å; W150-W195 HydrophobicContact CE3-CH2 4.4Å; W150-W195 AromaticContact CE3-CZ3 3.91Å; W150-W195 HydrophobicContact CE3-CZ3 3.91Å; W150-W195 HydrophobicContact CZ3-CZ3 4.09Å; P151-W195 HydrophobicContact CB-CZ2 4.17Å; P151-W195 HydrophobicContact CG-CH2 4.04Å; P151-W195 HydrophobicContact CG-CZ2 3.72Å; R189-W195 HydrophobicContact CB-CZ2 4.48Å; Q193-W195 VanDerWaalsContact OE1-NE1 3.08Å; W195-L216 HydrophobicContact CE3-CD1 4.07Å; W195-L216 HydrophobicContact CE3-CG 4.29Å; W195-L216 HydrophobicContact CZ3-CD1 3.67Å; W195-L216 HydrophobicContact CZ3-CG 4.26Å; W195-F217 HydrophobicContact CB-CD1 4.01Å; W195-N218 PolarHBondContact N-OD1 3.26Å; W195-N218 PolarHBondContact O-N 2.77Å; W195-W219 PolarHBondContact O-N 2.88Å; W195-W219 VanDerWaalsContact O-N 3.16Å
196V95.5Very high87.6Confident0 Ų030.8 Ų30.80%020%0.195CC..EExtended strand (participates in β ladder)trans-114.2115.1-173.9-172.50000108.9A135 V136 L137 F138 R194 W219 L221 I229 T410A135-V196 HydrophobicContact CB-CG2 4.27Å; V136-V196 PolarHBondContact O-N 3.21Å; L137-V196 HydrophobicContact CD1-CB 3.55Å; L137-V196 HydrophobicContact CD1-CG1 3.45Å; L137-V196 VanDerWaalsContact CD1-CG1 3.45Å; F138-V196 PolarHBondContact N-O 3.46Å; R194-V196 HydrophobicContact CB-CG2 4.39Å; V196-W219 WeakPolarHBondContact CA-O 3.38Å; V196-W219 HydrophobicContact CB-CB 4.46Å; V196-W219 HydrophobicContact CG1-CB 4.18Å; V196-W219 HydrophobicContact CG2-CB 4.13Å; V196-W219 HydrophobicContact CG2-CE3 4.07Å; V196-L221 HydrophobicContact CG1-CB 3.89Å; V196-I229 HydrophobicContact CG1-CD1 4Å; V196-T410 HydrophobicContact CG2-CG2 4.25Å
197W95.8Very high89.5Confident0 Ų032.3 Ų32.30%021%0.205CC..EExtended strand (participates in β ladder)trans-78.4123.8170.5176.480.3000109.7H140 N199 T206 L209 F217 W219 T220 L221 L427 W430 F431H140-W197 HydrophobicContact CB-CZ2 4.14Å; H140-W197 AromaticContact CG-NE1 3.86Å; H140-W197 AromaticContact ND1-NE1 3.59Å; W197-N199 HydrophobicContact CD2-CB 4.34Å; W197-N199 HydrophobicContact CE3-CB 4.29Å; W197-N199 HydrophobicContact CH2-CB 3.27Å; W197-N199 HydrophobicContact CZ2-CB 3.23Å; W197-N199 HydrophobicContact CZ3-CB 3.77Å; W197-T206 HydrophobicContact CZ2-CG2 4.13Å; W197-L209 HydrophobicContact CZ2-CD2 3.72Å; W197-F217 HydrophobicContact CB-CB 4.16Å; W197-F217 HydrophobicContact CB-CD1 3.7Å; W197-F217 HydrophobicContact CB-CD2 3.85Å; W197-F217 HydrophobicContact CB-CE1 4.03Å; W197-F217 HydrophobicContact CB-CE2 4.16Å; W197-F217 HydrophobicContact CB-CG 3.61Å; W197-F217 HydrophobicContact CB-CZ 4.26Å; W197-F217 AromaticContact CD1-CE2 3.98Å; W197-F217 HydrophobicContact CG-CD2 4.4Å; W197-F217 HydrophobicContact CG-CE2 4.41Å; W197-W219 PolarHBondContact N-O 2.83Å; W197-T220 HydrophobicContact CE3-CG2 3.84Å; W197-T220 HydrophobicContact CZ3-CG2 4.42Å; W197-T220 CarbonylContact O-C 3.59Å; W197-T220 WeakPolarHBondContact O-CA 3.29Å; W197-L221 PolarHBondContact O-N 2.66Å; W197-L427 HydrophobicContact CB-CD2 4.25Å; W197-L427 HydrophobicContact CD2-CD1 3.89Å; W197-L427 HydrophobicContact CD2-CD2 3.72Å; W197-L427 HydrophobicContact CD2-CG 4.31Å; W197-L427 HydrophobicContact CE3-CD1 3.82Å; W197-L427 HydrophobicContact CE3-CD2 4.49Å; W197-L427 HydrophobicContact CG-CD1 4.23Å; W197-L427 HydrophobicContact CG-CD2 3.6Å; W197-L427 HydrophobicContact CZ2-CD2 4.42Å; W197-L427 HydrophobicContact CZ3-CD1 4.25Å; W197-W430 HydrophobicContact CE3-CZ3 4.22Å; W197-W430 HydrophobicContact CH2-CZ3 4.42Å; W197-W430 HydrophobicContact CZ3-CH2 4.29Å; W197-W430 AromaticContact CZ3-CZ3 3.65Å; W197-W430 HydrophobicContact CZ3-CZ3 3.65Å; W197-F431 AromaticContact CH2-CD1 3.95Å; W197-F431 HydrophobicContact CH2-CD1 3.95Å; W197-F431 AromaticContact CH2-CD2 3.72Å; W197-F431 HydrophobicContact CH2-CD2 3.72Å; W197-F431 AromaticContact CH2-CE1 3.98Å; W197-F431 HydrophobicContact CH2-CE1 3.98Å; W197-F431 AromaticContact CH2-CE2 3.79Å; W197-F431 HydrophobicContact CH2-CE2 3.79Å; W197-F431 AromaticContact CH2-CG 3.81Å; W197-F431 HydrophobicContact CH2-CG 3.81Å; W197-F431 AromaticContact CH2-CZ 3.91Å; W197-F431 HydrophobicContact CH2-CZ 3.91Å; W197-F431 AromaticContact CZ3-CD2 3.99Å; W197-F431 HydrophobicContact CZ3-CD2 3.99Å; W197-F431 HydrophobicContact CZ3-CE2 4.11Å; W197-F431 HydrophobicContact CZ3-CG 4.43Å
198M95.9Very high91Very high0 Ų032.9 Ų32.90%021%0.212CC..EExtended strand (participates in β ladder)trans-114.2128.6179.2-172.2-176.177.800111.4W96 L137 F138 H139 H140 F200 L221 W403 P406W96-M198 HydrophobicContact CH2-CE 3.11Å; W96-M198 HydrophobicContact CH2-SD 4Å; W96-M198 HydrophobicContact CZ2-CE 3.51Å; W96-M198 HydrophobicContact CZ3-CE 4.05Å; L137-M198 HydrophobicContact CD1-CB 3.87Å; L137-M198 HydrophobicContact CD2-SD 3.78Å; L137-M198 HydrophobicContact CG-CB 4.14Å; L137-M198 HydrophobicContact CG-SD 4.31Å; F138-M198 PolarHBondContact O-N 2.89Å; H139-M198 WeakPolarHBondContact CA-O 3.36Å; H139-M198 HydrophobicContact CB-CE 3.89Å; H139-M198 WeakPolarHBondContact CD2-CE 3.31Å; H140-M198 PolarHBondContact N-O 2.96Å; M198-F200 HydrophobicContact CG-CD2 4.11Å; M198-F200 HydrophobicContact CG-CE2 3.6Å; M198-F200 HydrophobicContact SD-CE2 3.94Å; M198-L221 WeakPolarHBondContact CA-O 3.12Å; M198-L221 HydrophobicContact CB-CB 4.24Å; M198-L221 HydrophobicContact CB-CD2 4.24Å; M198-L221 HydrophobicContact CB-CG 4.44Å; M198-L221 HydrophobicContact CG-CB 4.1Å; M198-L221 HydrophobicContact CG-CD2 3.64Å; M198-L221 HydrophobicContact CG-CG 3.79Å; M198-L221 HydrophobicContact SD-CD2 3.61Å; M198-L221 HydrophobicContact SD-CG 4.33Å; M198-W403 HydrophobicContact CE-CD2 4.47Å; M198-W403 HydrophobicContact CE-CE3 3.58Å; M198-W403 HydrophobicContact CE-CH2 4.07Å; M198-W403 HydrophobicContact CE-CZ3 3.34Å; M198-W403 HydrophobicContact SD-CE3 4.1Å; M198-W403 HydrophobicContact SD-CZ3 4.01Å; M198-P406 HydrophobicContact SD-CB 4.38Å
199N95.9Very high91.9Very high2 Ų231 Ų311%0.01120%0.199CC..  trans-156.4139.6173-173.244000111.5H140 W197 E201 T206 L221 S222 F431H140-N199 HydrophobicContact CB-CB 3.9Å; W197-N199 HydrophobicContact CD2-CB 4.34Å; W197-N199 HydrophobicContact CE3-CB 4.29Å; W197-N199 HydrophobicContact CH2-CB 3.27Å; W197-N199 HydrophobicContact CZ2-CB 3.23Å; W197-N199 HydrophobicContact CZ3-CB 3.77Å; N199-E201 PolarHBondContact ND2-O 2.79Å; N199-E201 PolarHBondContact OD1-N 3.23Å; N199-T206 VanDerWaalsContact ND2-CG2 3.3Å; N199-T206 WeakPolarHBondContact ND2-CG2 3.44Å; N199-T206 PolarHBondContact ND2-OG1 3.26Å; N199-L221 PolarHBondContact N-O 3.44Å; N199-S222 VanDerWaalsContact O-CA 3.29Å; N199-S222 WeakPolarHBondContact O-CA 3.39Å; N199-S222 WeakPolarHBondContact O-CB 3.09Å; N199-F431 WeakPolarHBondContact ND2-CE1 3.34Å; N199-F431 WeakPolarHBondContact ND2-CZ 3.41Å
200F96.3Very high92.2Very high5 Ų537.7 Ų37.72%0.02222%0.224CC..  trans-121.5-1.9175.5-70.4-96.2000112.8M198 L221 Y223 V231 Y233 F402 W403 P406M198-F200 HydrophobicContact CG-CD2 4.11Å; M198-F200 HydrophobicContact CG-CE2 3.6Å; M198-F200 HydrophobicContact SD-CE2 3.94Å; F200-L221 HydrophobicContact CE2-CG 4.2Å; F200-L221 HydrophobicContact CZ-CD1 4.21Å; F200-L221 HydrophobicContact CZ-CG 4.12Å; F200-Y223 WeakPolarHBondContact O-CD1 3.16Å; F200-V231 HydrophobicContact CE1-CB 4.01Å; F200-V231 HydrophobicContact CE1-CG1 4.26Å; F200-V231 WeakPolarHBondContact CE1-O 3.42Å; F200-V231 HydrophobicContact CZ-CB 4.07Å; F200-V231 HydrophobicContact CZ-CG1 4.44Å; F200-Y233 HydrophobicContact CB-CE2 4.35Å; F200-Y233 HydrophobicContact CD1-CE2 4.45Å; F200-Y233 PolarHBondContact O-OH 2.73Å; F200-F402 AromaticContact CD1-CE1 3.34Å; F200-F402 HydrophobicContact CD1-CE1 3.34Å; F200-F402 AromaticContact CD1-CZ 3.55Å; F200-F402 HydrophobicContact CD1-CZ 3.55Å; F200-F402 HydrophobicContact CD2-CE1 4.02Å; F200-F402 AromaticContact CE1-CE1 3.32Å; F200-F402 HydrophobicContact CE1-CE1 3.32Å; F200-F402 AromaticContact CE1-CZ 3.63Å; F200-F402 HydrophobicContact CE1-CZ 3.63Å; F200-F402 AromaticContact CE2-CE1 4Å; F200-F402 HydrophobicContact CE2-CE1 4Å; F200-F402 AromaticContact CG-CE1 3.69Å; F200-F402 HydrophobicContact CG-CE1 3.69Å; F200-F402 HydrophobicContact CG-CZ 4.26Å; F200-F402 AromaticContact CZ-CE1 3.68Å; F200-F402 HydrophobicContact CZ-CE1 3.68Å; F200-F402 HydrophobicContact CZ-CZ 4.39Å; F200-W403 HydrophobicContact CD2-CH2 4.13Å; F200-W403 AromaticContact CD2-CZ3 3.53Å; F200-W403 HydrophobicContact CD2-CZ3 3.53Å; F200-W403 AromaticContact CE2-CZ3 3.94Å; F200-W403 HydrophobicContact CE2-CZ3 3.94Å; F200-W403 HydrophobicContact CG-CZ3 4.38Å; F200-P406 HydrophobicContact CE1-CG 4.46Å; F200-P406 HydrophobicContact CE2-CB 4.09Å; F200-P406 HydrophobicContact CE2-CG 4.12Å; F200-P406 HydrophobicContact CZ-CB 3.87Å; F200-P406 HydrophobicContact CZ-CG 3.74Å
201E95.4Very high92.1Very high81 Ų8140.6 Ų40.638%0.37926%0.256SS..SBendtrans-79.1148.6170.7-74.6-64.1161.900111.4N199 H205 T206 F431N199-E201 PolarHBondContact ND2-O 2.79Å; N199-E201 PolarHBondContact OD1-N 3.23Å; E201-H205 HydrophobicContact CB-CB 4.31Å; E201-T206 PolarHBondContact O-OG1 2.78Å; E201-F431 VanDerWaalsContact O-CZ 3.27Å; E201-F431 WeakPolarHBondContact O-CZ 3.31Å
202S95.8Very high92.1Very high0 Ų036.1 Ų36.10%023%0.225CC..  trans-59.6158.4173.461.40000113.5S204 H205 T206 S319S202-S204 PolarHBondContact O-N 3.4Å; S202-H205 CarbonylContact O-C 3.53Å; S202-H205 WeakPolarHBondContact O-CA 3.42Å; S202-H205 PolarHBondContact O-N 3.34Å; S202-H205 PolarHBondContact OG-N 3.3Å; S202-H205 PolarHBondContact OG-ND1 3.46Å; S202-T206 WeakPolarHBondContact O-CB 3.33Å; S202-T206 PolarHBondContact O-N 2.76Å; S202-T206 PolarHBondContact O-OG1 2.94Å; S202-S319 WeakPolarHBondContact CB-OG 3.34Å; S202-S319 PolarHBondContact OG-OG 3.06Å
203P95.6Very high91.8Very high13 Ų1336.1 Ų36.18%0.08422%0.219CC..G310 helixtrans-51.2-40.1172.9-29.332.2000114H205 T206 Y223 H321 F431 Q432P203-H205 PolarHBondContact O-N 3.37Å; P203-H205 VanDerWaalsContact O-N 3.16Å; P203-T206 PolarHBondContact O-N 3.03Å; P203-Y223 WeakPolarHBondContact CD-OH 3.37Å; P203-H321 HydrophobicContact CG-CB 4.4Å; P203-F431 HydrophobicContact CB-CD1 4.12Å; P203-F431 HydrophobicContact CB-CE1 4.19Å; P203-F431 HydrophobicContact CG-CD1 3.8Å; P203-F431 HydrophobicContact CG-CE1 3.72Å; P203-F431 HydrophobicContact CG-CG 4.39Å; P203-F431 HydrophobicContact CG-CZ 4.21Å; P203-F431 WeakPolarHBondContact CG-O 3.49Å; P203-Q432 HydrophobicContact CB-CG 4.43Å
204S94.3Very high91.5Very high83 Ų8342 Ų4258%0.5825%0.245SC*.G310 helixtrans-64.9-16.4176.9-63.60000114.5S202 H321S202-S204 PolarHBondContact O-N 3.4Å; S204-H321 PolarHBondContact N-NE2 3.18Å; S204-H321 PolarHBondContact OG-NE2 2.84Å
205H93.2Very high91.2Very high59 Ų5943.9 Ų43.927%0.27326%0.257SS..G310 helixtrans-118.218.4-180-60.685.8000112E201 S202 P203 P207 N318E201-H205 HydrophobicContact CB-CB 4.31Å; S202-H205 CarbonylContact O-C 3.53Å; S202-H205 WeakPolarHBondContact O-CA 3.42Å; S202-H205 PolarHBondContact O-N 3.34Å; S202-H205 PolarHBondContact OG-N 3.3Å; S202-H205 PolarHBondContact OG-ND1 3.46Å; P203-H205 PolarHBondContact O-N 3.37Å; P203-H205 VanDerWaalsContact O-N 3.16Å; H205-P207 WeakPolarHBondContact O-CD 3.32Å; H205-N318 PolarHBondContact CE1-ND2 3.45Å; H205-N318 VanDerWaalsContact CE1-ND2 3.33Å; H205-N318 PolarHBondContact ND1-ND2 3.03Å
206T92.8Very high90.9Very high2 Ų244.2 Ų44.21%0.01226%0.258CS..  trans-122.871.6-177.5-55.70000109.7H140 W197 N199 E201 S202 P203 L209 F431H140-T206 WeakPolarHBondContact CD2-CG2 3.48Å; H140-T206 WeakPolarHBondContact NE2-CG2 3.48Å; W197-T206 HydrophobicContact CZ2-CG2 4.13Å; N199-T206 VanDerWaalsContact ND2-CG2 3.3Å; N199-T206 WeakPolarHBondContact ND2-CG2 3.44Å; N199-T206 PolarHBondContact ND2-OG1 3.26Å; E201-T206 PolarHBondContact O-OG1 2.78Å; S202-T206 WeakPolarHBondContact O-CB 3.33Å; S202-T206 PolarHBondContact O-N 2.76Å; S202-T206 PolarHBondContact O-OG1 2.94Å; P203-T206 PolarHBondContact O-N 3.03Å; T206-L209 HydrophobicContact CG2-CD1 3.61Å; T206-L209 HydrophobicContact CG2-CD2 4.08Å; T206-L209 HydrophobicContact CG2-CG 3.77Å; T206-F431 HydrophobicContact CG2-CD1 4.27Å; T206-F431 HydrophobicContact CG2-CE1 3.98Å
207P90.6Very high90.7Very high89 Ų8944.4 Ų44.458%0.57826%0.259SS*.THydrogen-bonded Turntrans-71.8161.9-17732.3-36.6000112.2H140 H205 L209H140-P207 PolarHBondContact CE1-O 2.66Å; H140-P207 PolarHBondContact NE2-O 2.77Å; H205-P207 WeakPolarHBondContact O-CD 3.32Å; P207-L209 VanDerWaalsContact C-N 3.29Å; P207-L209 PolarHBondContact O-N 3.15Å
208G88.4Confident90.5Very high45 Ų4544.9 Ų44.946%0.46426%0.262SS..THydrogen-bonded Turntrans79.4-0.617100000116.1R210 G211G208-R210 VanDerWaalsContact C-N 3.25Å; G208-R210 PolarHBondContact O-N 3.47Å; G208-G211 PolarHBondContact O-N 2.86Å
209L88.7Confident90.5Very high3 Ų345.8 Ų45.82%0.01627%0.265CS..G310 helixtrans-54.4-39176.5-77.1172.2000113.9W197 T206 P207 G211 L212 L427 A428 F431 Q432W197-L209 HydrophobicContact CZ2-CD2 3.72Å; T206-L209 HydrophobicContact CG2-CD1 3.61Å; T206-L209 HydrophobicContact CG2-CD2 4.08Å; T206-L209 HydrophobicContact CG2-CG 3.77Å; P207-L209 VanDerWaalsContact C-N 3.29Å; P207-L209 PolarHBondContact O-N 3.15Å; L209-G211 PolarHBondContact O-N 3.25Å; L209-L212 HydrophobicContact CD2-CD1 4.14Å; L209-L212 WeakPolarHBondContact O-CB 3.43Å; L209-L212 PolarHBondContact O-N 2.89Å; L209-L427 HydrophobicContact CD2-CD2 3.83Å; L209-L427 HydrophobicContact CD2-CG 4.13Å; L209-A428 HydrophobicContact CB-CB 3.84Å; L209-F431 HydrophobicContact CD1-CB 4.15Å; L209-F431 HydrophobicContact CD1-CD1 3.62Å; L209-F431 HydrophobicContact CD1-CG 4.3Å; L209-Q432 HydrophobicContact CD1-CG 4.3Å
210R87.5Confident90.5Very high191 Ų19145.8 Ų45.872%0.72127%0.266SS*.G310 helixtrans-69.1-16.7-179.9-66.4-179.1-179.1-118.2-5113.5G208 L212 A428 Q432G208-R210 VanDerWaalsContact C-N 3.25Å; G208-R210 PolarHBondContact O-N 3.47Å; R210-L212 VanDerWaalsContact C-N 3.34Å; R210-A428 HydrophobicContact CG-CB 3.76Å; R210-Q432 VanDerWaalsContact NH2-OE1 3.16Å
211G85.1Confident90.6Very high73 Ų7345.6 Ų45.675%0.75327%0.265SS*.G310 helixtrans-85.1-7.4175.600000113.6G208 L209G208-G211 PolarHBondContact O-N 2.86Å; L209-G211 PolarHBondContact O-N 3.25Å
212L85.3Confident90.7Very high28 Ų2841.7 Ų41.715%0.14725%0.247CC..SBendtrans-80.4139.5176.2-61.6172.3000110L143 W150 L209 R210 F217 L427L143-L212 HydrophobicContact CB-CD2 4.32Å; L143-L212 HydrophobicContact CD1-CD1 4.39Å; L143-L212 HydrophobicContact CD1-CD2 4.41Å; W150-L212 HydrophobicContact CH2-CD2 4.13Å; W150-L212 HydrophobicContact CZ2-CD2 3.94Å; L209-L212 HydrophobicContact CD2-CD1 4.14Å; L209-L212 WeakPolarHBondContact O-CB 3.43Å; L209-L212 PolarHBondContact O-N 2.89Å; R210-L212 VanDerWaalsContact C-N 3.34Å; L212-F217 HydrophobicContact CD1-CE2 4.27Å; L212-L427 HydrophobicContact CD1-CD2 3.87Å
213A79.3Confident90.8Very high55 Ų5541.9 Ų41.946%0.45525%0.247SC..PPolyproline II helixtrans-59.3148177.100000111.5L216A213-L216 HydrophobicContact CB-CB 4.38Å; A213-L216 HydrophobicContact CB-CD2 4.48Å; A213-L216 WeakPolarHBondContact O-CB 3.39Å
214K84.7Confident90.8Very high130 Ų13041.8 Ų41.857%0.56525%0.245SC*.THydrogen-bonded Turntrans-64150.1171.8-66.6-173.1178.6-172.40110.4L216 H425K214-L216 PolarHBondContact O-N 3.28Å; K214-H425 VanDerWaalsContact CA-O 3.25Å; K214-H425 WeakPolarHBondContact CA-O 3.35Å; K214-H425 WeakPolarHBondContact CB-O 3.44Å; K214-H425 WeakPolarHBondContact CG-O 3.37Å
215D86.1Confident90.9Very high58 Ų5840 Ų4031%0.3123%0.231SC..THydrogen-bonded Turntrans58.511176.2-64.3-67.7000115.6F217 S423 I424 H425D215-F217 PolarHBondContact O-N 2.8Å; D215-S423 WeakPolarHBondContact OD1-CB 3.5Å; D215-S423 PolarHBondContact OD1-OG 3.31Å; D215-I424 WeakPolarHBondContact CA-O 3.34Å; D215-I424 PolarHBondContact N-O 3.29Å; D215-H425 PolarHBondContact N-O 2.76Å; D215-H425 VanDerWaalsContact OD1-CA 3.27Å; D215-H425 WeakPolarHBondContact OD1-CA 3.16Å; D215-H425 IonicContact OD1-ND1 3.72Å; D215-H425 IonicContact OD2-CE1 3.6Å; D215-H425 IonicContact OD2-CG 3.89Å; D215-H425 IonicContact OD2-ND1 2.83Å; D215-H425 PolarHBondContact OD2-ND1 3.37Å
216L86.9Confident91Very high11 Ų1141 Ų416%0.05824%0.238CC..  trans-63.8-43.9-176.7-173.860.8000112.2W150 R189 W195 A213 K214W150-L216 HydrophobicContact CH2-CD2 3.54Å; W150-L216 HydrophobicContact CZ2-CD2 3.96Å; W150-L216 HydrophobicContact CZ3-CD2 4.06Å; R189-L216 PolarHBondContact NH1-O 3.25Å; W195-L216 HydrophobicContact CE3-CD1 4.07Å; W195-L216 HydrophobicContact CE3-CG 4.29Å; W195-L216 HydrophobicContact CZ3-CD1 3.67Å; W195-L216 HydrophobicContact CZ3-CG 4.26Å; A213-L216 HydrophobicContact CB-CB 4.38Å; A213-L216 HydrophobicContact CB-CD2 4.48Å; A213-L216 WeakPolarHBondContact O-CB 3.39Å; K214-L216 PolarHBondContact O-N 3.28Å
217F91.7Very high91.2Very high4 Ų441.5 Ų41.52%0.01824%0.242CC..  trans-100.1141.6-178.6-65.2-75.7000111.7F138 L143 W150 W195 W197 L212 D215 I424 L427F138-F217 HydrophobicContact CB-CE1 3.87Å; F138-F217 HydrophobicContact CB-CZ 4.28Å; F138-F217 HydrophobicContact CD2-CD1 4.36Å; F138-F217 AromaticContact CD2-CE1 3.61Å; F138-F217 HydrophobicContact CD2-CE1 3.61Å; F138-F217 HydrophobicContact CE2-CE1 4.34Å; F138-F217 AromaticContact CG-CE1 3.88Å; F138-F217 HydrophobicContact CG-CE1 3.88Å; F138-F217 HydrophobicContact CG-CZ 4.48Å; L143-F217 HydrophobicContact CD1-CE2 4.09Å; L143-F217 HydrophobicContact CD1-CZ 3.53Å; W150-F217 HydrophobicContact CH2-CE2 4.41Å; W150-F217 AromaticContact CH2-CZ 3.86Å; W150-F217 HydrophobicContact CH2-CZ 3.86Å; W150-F217 HydrophobicContact CZ3-CE1 4.49Å; W150-F217 AromaticContact CZ3-CZ 3.94Å; W150-F217 HydrophobicContact CZ3-CZ 3.94Å; W195-F217 HydrophobicContact CB-CD1 4.01Å; W197-F217 HydrophobicContact CB-CB 4.16Å; W197-F217 HydrophobicContact CB-CD1 3.7Å; W197-F217 HydrophobicContact CB-CD2 3.85Å; W197-F217 HydrophobicContact CB-CE1 4.03Å; W197-F217 HydrophobicContact CB-CE2 4.16Å; W197-F217 HydrophobicContact CB-CG 3.61Å; W197-F217 HydrophobicContact CB-CZ 4.26Å; W197-F217 AromaticContact CD1-CE2 3.98Å; W197-F217 HydrophobicContact CG-CD2 4.4Å; W197-F217 HydrophobicContact CG-CE2 4.41Å; L212-F217 HydrophobicContact CD1-CE2 4.27Å; D215-F217 PolarHBondContact O-N 2.8Å; F217-I424 HydrophobicContact CB-CD1 4.13Å; F217-I424 PolarHBondContact O-N 2.78Å; F217-L427 HydrophobicContact CD2-CD2 4Å; F217-L427 HydrophobicContact CE2-CD2 4.27Å
218N91.8Very high91.4Very high10 Ų1039.6 Ų39.65%0.05323%0.226CC..SBendtrans-79.6-47.2169.4-58.5103.9000110.5R189 Q193 R194 W195 K422R189-N218 VanDerWaalsContact CZ-CG 3.46Å; R189-N218 PolarHBondContact NE-OD1 3.23Å; R189-N218 PolarHBondContact NH1-OD1 2.6Å; R189-N218 PolarHBondContact NH2-ND2 3.5Å; R189-N218 PolarHBondContact NH2-OD1 3.02Å; Q193-N218 PolarHBondContact O-OD1 2.87Å; R194-N218 WeakPolarHBondContact CA-OD1 3.31Å; W195-N218 PolarHBondContact N-OD1 3.26Å; W195-N218 PolarHBondContact O-N 2.77Å; N218-K422 VanDerWaalsContact CA-O 3.27Å; N218-K422 WeakPolarHBondContact CA-O 3.36Å; N218-K422 WeakPolarHBondContact CB-O 3.37Å; N218-K422 PolarHBondContact ND2-O 2.77Å
219W95.2Very high91.8Very high19 Ų1937.9 Ų37.97%0.07221%0.207CC..EExtended strand (participates in β ladder)trans-129.3159-166.9-68.2-10.6000112.9R194 W195 V196 W197 D228 I229 A413 V414 S417R194-W219 HydrophobicContact CB-CD2 4.33Å; R194-W219 HydrophobicContact CB-CE3 4.31Å; R194-W219 HydrophobicContact CG-CD2 4.27Å; R194-W219 HydrophobicContact CG-CE3 4.39Å; R194-W219 HydrophobicContact CG-CH2 4.14Å; R194-W219 HydrophobicContact CG-CZ2 4Å; R194-W219 HydrophobicContact CG-CZ3 4.34Å; W195-W219 PolarHBondContact O-N 2.88Å; W195-W219 VanDerWaalsContact O-N 3.16Å; V196-W219 WeakPolarHBondContact CA-O 3.38Å; V196-W219 HydrophobicContact CB-CB 4.46Å; V196-W219 HydrophobicContact CG1-CB 4.18Å; V196-W219 HydrophobicContact CG2-CB 4.13Å; V196-W219 HydrophobicContact CG2-CE3 4.07Å; W197-W219 PolarHBondContact N-O 2.83Å; W219-D228 VanDerWaalsContact CA-OD2 3.22Å; W219-D228 WeakPolarHBondContact CA-OD2 3.29Å; W219-D228 HydrophobicContact CB-CB 3.8Å; W219-D228 HydrophobicContact CD2-CB 4.44Å; W219-D228 HydrophobicContact CG-CB 3.89Å; W219-I229 HydrophobicContact CE3-CD1 4.09Å; W219-I229 HydrophobicContact CE3-CG1 4.49Å; W219-A413 HydrophobicContact CZ3-CB 4.03Å; W219-V414 HydrophobicContact CH2-CG2 4.15Å; W219-V414 HydrophobicContact CZ3-CB 4.45Å; W219-V414 HydrophobicContact CZ3-CG2 3.64Å; W219-S417 VanDerWaalsContact CH2-CB 3.44Å; W219-S417 WeakPolarHBondContact CH2-OG 3.26Å
220T96.5Very high92.3Very high3 Ų341.6 Ų41.62%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-117.7135.4174.546.40000111.4W197 S227 D228 I229 I424 L427 W430W197-T220 HydrophobicContact CE3-CG2 3.84Å; W197-T220 HydrophobicContact CZ3-CG2 4.42Å; W197-T220 CarbonylContact O-C 3.59Å; W197-T220 WeakPolarHBondContact O-CA 3.29Å; T220-S227 WeakPolarHBondContact OG1-CA 3.08Å; T220-D228 PolarHBondContact N-OD2 2.9Å; T220-D228 PolarHBondContact O-N 2.96Å; T220-D228 PolarHBondContact OG1-N 3.24Å; T220-D228 VanDerWaalsContact OG1-N 3.11Å; T220-D228 PolarHBondContact OG1-OD2 2.83Å; T220-I229 PolarHBondContact O-N 3.31Å; T220-I424 HydrophobicContact CG2-CD1 3.29Å; T220-I424 HydrophobicContact CG2-CG1 4.46Å; T220-L427 HydrophobicContact CG2-CD1 3.8Å; T220-W430 HydrophobicContact CG2-CE3 4Å; T220-W430 HydrophobicContact CG2-CH2 3.67Å; T220-W430 HydrophobicContact CG2-CZ2 4.39Å; T220-W430 HydrophobicContact CG2-CZ3 3.44Å; T220-W430 VanDerWaalsContact CG2-CZ3 3.44Å
221L97.7Very high92.8Very high0 Ų032.8 Ų32.80%019%0.19CC..EExtended strand (participates in β ladder)trans-119.4105.3170.3171.862.7000108.5L137 V196 W197 M198 N199 F200 I229 V231 P406 T410L137-L221 HydrophobicContact CD1-CD2 3.82Å; L137-L221 HydrophobicContact CD2-CD2 4.17Å; V196-L221 HydrophobicContact CG1-CB 3.89Å; W197-L221 PolarHBondContact O-N 2.66Å; M198-L221 WeakPolarHBondContact CA-O 3.12Å; M198-L221 HydrophobicContact CB-CB 4.24Å; M198-L221 HydrophobicContact CB-CD2 4.24Å; M198-L221 HydrophobicContact CB-CG 4.44Å; M198-L221 HydrophobicContact CG-CB 4.1Å; M198-L221 HydrophobicContact CG-CD2 3.64Å; M198-L221 HydrophobicContact CG-CG 3.79Å; M198-L221 HydrophobicContact SD-CD2 3.61Å; M198-L221 HydrophobicContact SD-CG 4.33Å; N199-L221 PolarHBondContact N-O 3.44Å; F200-L221 HydrophobicContact CE2-CG 4.2Å; F200-L221 HydrophobicContact CZ-CD1 4.21Å; F200-L221 HydrophobicContact CZ-CG 4.12Å; L221-I229 WeakPolarHBondContact CA-O 3.41Å; L221-I229 HydrophobicContact CB-CB 4.21Å; L221-I229 HydrophobicContact CB-CD1 4.34Å; L221-I229 HydrophobicContact CD1-CB 3.6Å; L221-I229 HydrophobicContact CD1-CG2 3.45Å; L221-I229 VanDerWaalsContact CD1-CG2 3.45Å; L221-I229 WeakPolarHBondContact CD1-O 3.41Å; L221-I229 HydrophobicContact CG-CB 4.47Å; L221-V231 HydrophobicContact CD1-CB 4.3Å; L221-V231 HydrophobicContact CD1-CG2 3.66Å; L221-P406 HydrophobicContact CD1-CB 4.25Å; L221-P406 HydrophobicContact CD2-CB 3.86Å; L221-P406 HydrophobicContact CG-CB 4.38Å; L221-T410 WeakPolarHBondContact CD2-OG1 3.36Å
222S97.8Very high93.3Very high0 Ų030.1 Ų30.10%016%0.16CC..EExtended strand (participates in β ladder)trans-154.2-179.7-177.989.10000113N199 R224 S227 I229 V231N199-S222 VanDerWaalsContact O-CA 3.29Å; N199-S222 WeakPolarHBondContact O-CA 3.39Å; N199-S222 WeakPolarHBondContact O-CB 3.09Å; S222-R224 VanDerWaalsContact C-N 3.27Å; S222-R224 PolarHBondContact O-N 3.47Å; S222-R224 PolarHBondContact OG-N 2.78Å; S222-S227 PolarHBondContact OG-OG 2.8Å; S222-I229 PolarHBondContact N-O 3.08Å; S222-V231 PolarHBondContact O-N 3.13Å
223Y97.4Very high94Very high3 Ų330.2 Ų30.21%0.01216%0.158CC..SBendtrans-75.5-9.4172.369.1-98.9000113.7F200 P203 F230 V231 Y233 V322 D323 Y324 F431F200-Y223 WeakPolarHBondContact O-CD1 3.16Å; P203-Y223 WeakPolarHBondContact CD-OH 3.37Å; Y223-F230 WeakPolarHBondContact O-CD2 3.34Å; Y223-F230 WeakPolarHBondContact O-CE2 3.45Å; Y223-V231 WeakPolarHBondContact CA-O 3.43Å; Y223-Y233 HydrophobicContact CD1-CE2 4.5Å; Y223-V322 WeakPolarHBondContact CE2-O 3.03Å; Y223-D323 HydrophobicContact CD2-CB 4.28Å; Y223-D323 WeakPolarHBondContact CD2-O 3.31Å; Y223-Y324 AromaticContact CD1-CD2 3.82Å; Y223-Y324 HydrophobicContact CD1-CD2 3.82Å; Y223-Y324 HydrophobicContact CD1-CE2 4.29Å; Y223-Y324 HydrophobicContact CD2-CD2 4.12Å; Y223-Y324 AromaticContact CE1-CD2 3.41Å; Y223-Y324 HydrophobicContact CE1-CD2 3.41Å; Y223-Y324 VanDerWaalsContact CE1-CD2 3.41Å; Y223-Y324 AromaticContact CE1-CE2 3.94Å; Y223-Y324 HydrophobicContact CE1-CE2 3.94Å; Y223-Y324 HydrophobicContact CE1-CG 4.41Å; Y223-Y324 AromaticContact CE2-CD2 3.76Å; Y223-Y324 HydrophobicContact CE2-CD2 3.76Å; Y223-Y324 HydrophobicContact CE2-CG 4.13Å; Y223-Y324 HydrophobicContact CG-CD2 4.17Å; Y223-Y324 AromaticContact CZ-CD2 3.38Å; Y223-Y324 AromaticContact CZ-CG 3.96Å; Y223-F431 HydrophobicContact CE1-CE2 4.49Å; Y223-F431 HydrophobicContact CE1-CZ 4.14Å
224R96.5Very high94.8Very high12 Ų1227.6 Ų27.65%0.04514%0.137CC..SBendtrans-76.6136.7179.5-70.8179.954.4153.6-9111.2S222 D226 S227 F230 W430 F431S222-R224 VanDerWaalsContact C-N 3.27Å; S222-R224 PolarHBondContact O-N 3.47Å; S222-R224 PolarHBondContact OG-N 2.78Å; R224-D226 VanDerWaalsContact CB-OD1 3.29Å; R224-D226 WeakPolarHBondContact CB-OD1 3.49Å; R224-D226 IonicContact CZ-OD1 3.92Å; R224-D226 IonicContact CZ-OD2 2.96Å; R224-D226 IonicContact NE-OD1 3.52Å; R224-D226 PolarHBondContact NE-OD1 3.14Å; R224-D226 IonicContact NE-OD2 3.07Å; R224-D226 IonicContact NH2-OD1 3.87Å; R224-D226 PolarHBondContact NH2-OD1 2.76Å; R224-D226 IonicContact NH2-OD2 3.72Å; R224-D226 PolarHBondContact NH2-OD2 3.5Å; R224-D226 PolarHBondContact O-N 3.19Å; R224-S227 WeakPolarHBondContact O-CB 3.34Å; R224-S227 PolarHBondContact O-N 2.64Å; R224-S227 VanDerWaalsContact O-N 3.09Å; R224-S227 PolarHBondContact O-OG 2.98Å; R224-F230 WeakPolarHBondContact O-CD2 3.13Å; R224-W430 HydrophobicContact CB-CZ2 4.33Å; R224-W430 PolarHBondContact NH1-O 3.14Å; R224-W430 PolarHBondContact NH2-O 3.45Å; R224-F431 HydrophobicContact CG-CE2 4.29Å; R224-F431 PolarHBondContact NH1-O 3.48Å
225T96.6Very high95.3Very high46 Ų4625.2 Ų25.228%0.28213%0.127SC..THydrogen-bonded Turntrans-65.5-20.7-177.751.90000114F230 D323 R352 F353T225-F230 HydrophobicContact CG2-CD2 4.27Å; T225-F230 HydrophobicContact CG2-CE1 4.22Å; T225-F230 HydrophobicContact CG2-CE2 3.84Å; T225-F230 HydrophobicContact CG2-CZ 3.81Å; T225-D323 VanDerWaalsContact CB-OD2 3.31Å; T225-D323 WeakPolarHBondContact CB-OD2 3.25Å; T225-D323 WeakPolarHBondContact CG2-OD2 3.44Å; T225-D323 PolarHBondContact N-OD2 2.95Å; T225-D323 PolarHBondContact OG1-OD2 2.78Å; T225-R352 PolarHBondContact OG1-NH2 3.02Å; T225-F353 HydrophobicContact CG2-CE1 3.54Å; T225-F353 HydrophobicContact CG2-CZ 3.47Å; T225-F353 VanDerWaalsContact CG2-CZ 3.47Å
226D95Very high95.7Very high79 Ų7924 Ų2442%0.42212%0.12SC..THydrogen-bonded Turntrans-94.413.317769-26.2000113.6R224 W430R224-D226 VanDerWaalsContact CB-OD1 3.29Å; R224-D226 WeakPolarHBondContact CB-OD1 3.49Å; R224-D226 IonicContact CZ-OD1 3.92Å; R224-D226 IonicContact CZ-OD2 2.96Å; R224-D226 IonicContact NE-OD1 3.52Å; R224-D226 PolarHBondContact NE-OD1 3.14Å; R224-D226 IonicContact NE-OD2 3.07Å; R224-D226 IonicContact NH2-OD1 3.87Å; R224-D226 PolarHBondContact NH2-OD1 2.76Å; R224-D226 IonicContact NH2-OD2 3.72Å; R224-D226 PolarHBondContact NH2-OD2 3.5Å; R224-D226 PolarHBondContact O-N 3.19Å; D226-W430 PolarHBondContact OD2-NE1 3.02Å
227S96.1Very high95.9Very high12 Ų1226.8 Ų26.88%0.08413%0.13CC..SBendtrans-74.7153.3170.2-480000111.1T220 S222 R224 I229T220-S227 WeakPolarHBondContact OG1-CA 3.08Å; S222-S227 PolarHBondContact OG-OG 2.8Å; R224-S227 WeakPolarHBondContact O-CB 3.34Å; R224-S227 PolarHBondContact O-N 2.64Å; R224-S227 VanDerWaalsContact O-N 3.09Å; R224-S227 PolarHBondContact O-OG 2.98Å; S227-I229 PolarHBondContact O-N 2.8Å
228D95.6Very high95.9Very high49 Ų4930.9 Ų30.926%0.26216%0.157SC..SBendtrans-59.4-37172-62.4-81.5000112.1W219 T220 K422W219-D228 VanDerWaalsContact CA-OD2 3.22Å; W219-D228 WeakPolarHBondContact CA-OD2 3.29Å; W219-D228 HydrophobicContact CB-CB 3.8Å; W219-D228 HydrophobicContact CD2-CB 4.44Å; W219-D228 HydrophobicContact CG-CB 3.89Å; T220-D228 PolarHBondContact N-OD2 2.9Å; T220-D228 PolarHBondContact O-N 2.96Å; T220-D228 PolarHBondContact OG1-N 3.24Å; T220-D228 VanDerWaalsContact OG1-N 3.11Å; T220-D228 PolarHBondContact OG1-OD2 2.83Å; D228-K422 WeakPolarHBondContact OD1-CD 3.43Å; D228-K422 WeakPolarHBondContact OD1-CE 3.14Å; D228-K422 IonicContact OD1-NZ 2.62Å; D228-K422 PolarHBondContact OD1-NZ 2.99Å; D228-K422 IonicContact OD2-NZ 3.73Å
229I97.2Very high95.5Very high10 Ų1032.7 Ų32.75%0.05116%0.163CC..EExtended strand (participates in β ladder)trans-12595.9175.1-45.2165.4000107V196 W219 T220 L221 S222 S227 V231 Q409 T410 A413V196-I229 HydrophobicContact CG1-CD1 4Å; W219-I229 HydrophobicContact CE3-CD1 4.09Å; W219-I229 HydrophobicContact CE3-CG1 4.49Å; T220-I229 PolarHBondContact O-N 3.31Å; L221-I229 WeakPolarHBondContact CA-O 3.41Å; L221-I229 HydrophobicContact CB-CB 4.21Å; L221-I229 HydrophobicContact CB-CD1 4.34Å; L221-I229 HydrophobicContact CD1-CB 3.6Å; L221-I229 HydrophobicContact CD1-CG2 3.45Å; L221-I229 VanDerWaalsContact CD1-CG2 3.45Å; L221-I229 WeakPolarHBondContact CD1-O 3.41Å; L221-I229 HydrophobicContact CG-CB 4.47Å; S222-I229 PolarHBondContact N-O 3.08Å; S227-I229 PolarHBondContact O-N 2.8Å; I229-V231 HydrophobicContact CG2-CG2 4.25Å; I229-Q409 HydrophobicContact CG2-CB 4.02Å; I229-T410 HydrophobicContact CD1-CG2 3.94Å; I229-A413 HydrophobicContact CD1-CB 3.88Å; I229-A413 HydrophobicContact CG1-CB 3.61Å; I229-A413 HydrophobicContact CG2-CB 4.44Å
230F97.6Very high94.6Very high81 Ų8136.5 Ų36.536%0.35519%0.193SC..EExtended strand (participates in β ladder)trans-82119.1176.9166.7-121.3000110.4Y223 R224 T225 P232 F353Y223-F230 WeakPolarHBondContact O-CD2 3.34Å; Y223-F230 WeakPolarHBondContact O-CE2 3.45Å; R224-F230 WeakPolarHBondContact O-CD2 3.13Å; T225-F230 HydrophobicContact CG2-CD2 4.27Å; T225-F230 HydrophobicContact CG2-CE1 4.22Å; T225-F230 HydrophobicContact CG2-CE2 3.84Å; T225-F230 HydrophobicContact CG2-CZ 3.81Å; F230-P232 HydrophobicContact CE1-CG 4.13Å; F230-P232 HydrophobicContact CE2-CB 3.84Å; F230-P232 HydrophobicContact CE2-CG 4.16Å; F230-P232 HydrophobicContact CZ-CB 3.68Å; F230-P232 HydrophobicContact CZ-CG 3.66Å; F230-F353 AromaticContact CZ-CE1 3.87Å; F230-F353 HydrophobicContact CZ-CE1 3.87Å
231V98Very high93.2Very high5 Ų542.7 Ų42.73%0.0322%0.221CC..  trans-131.9105.8173.2-179.40000108.3F200 L221 S222 Y223 I229 T400 P406 Q409F200-V231 HydrophobicContact CE1-CB 4.01Å; F200-V231 HydrophobicContact CE1-CG1 4.26Å; F200-V231 WeakPolarHBondContact CE1-O 3.42Å; F200-V231 HydrophobicContact CZ-CB 4.07Å; F200-V231 HydrophobicContact CZ-CG1 4.44Å; L221-V231 HydrophobicContact CD1-CB 4.3Å; L221-V231 HydrophobicContact CD1-CG2 3.66Å; S222-V231 PolarHBondContact O-N 3.13Å; Y223-V231 WeakPolarHBondContact CA-O 3.43Å; I229-V231 HydrophobicContact CG2-CG2 4.25Å; V231-T400 HydrophobicContact CG1-CG2 3.54Å; V231-P406 HydrophobicContact CG1-CG 4.06Å; V231-Q409 HydrophobicContact CG2-CB 4.05Å; V231-Q409 HydrophobicContact CG2-CG 4.06Å
232P97.6Very high91.3Very high18 Ų1848.1 Ų48.112%0.11726%0.257CS..  trans-77173.3176.731.5-34.1000111.1F230 G234 F235 T400F230-P232 HydrophobicContact CE1-CG 4.13Å; F230-P232 HydrophobicContact CE2-CB 3.84Å; F230-P232 HydrophobicContact CE2-CG 4.16Å; F230-P232 HydrophobicContact CZ-CB 3.68Å; F230-P232 HydrophobicContact CZ-CG 3.66Å; P232-G234 WeakPolarHBondContact CB-O 3.45Å; P232-G234 WeakPolarHBondContact CG-O 3.4Å; P232-G234 PolarHBondContact O-N 3.06Å; P232-F235 HydrophobicContact CG-CB 4.33Å; P232-F235 HydrophobicContact CG-CD1 4.21Å; P232-T400 VanDerWaalsContact O-CB 3.3Å; P232-T400 WeakPolarHBondContact O-CB 3.47Å; P232-T400 PolarHBondContact O-OG1 3.1Å
233Y98Very high89.4Confident30 Ų3052.6 Ų52.612%0.11829%0.293CS..SBendtrans-71.3-17.7172.9-79.4-104.3000114F200 Y223 Y324 T326 T400 F402F200-Y233 HydrophobicContact CB-CE2 4.35Å; F200-Y233 HydrophobicContact CD1-CE2 4.45Å; F200-Y233 PolarHBondContact O-OH 2.73Å; Y223-Y233 HydrophobicContact CD1-CE2 4.5Å; Y233-Y324 HydrophobicContact CE2-CE2 4.42Å; Y233-T326 HydrophobicContact CD2-CG2 4.13Å; Y233-T326 HydrophobicContact CE1-CG2 4.44Å; Y233-T326 HydrophobicContact CE2-CG2 3.91Å; Y233-T326 HydrophobicContact CG-CG2 4.5Å; Y233-T400 PolarHBondContact O-N 2.88Å; Y233-F402 AromaticContact CD1-CE2 3.85Å; Y233-F402 HydrophobicContact CD1-CE2 3.85Å; Y233-F402 HydrophobicContact CD1-CZ 4.4Å; Y233-F402 HydrophobicContact CE1-CE2 4.29Å; Y233-F402 HydrophobicContact CG-CE2 4.13Å; Y233-F402 HydrophobicContact CG-CZ 4.43Å
234G96.8Very high87.7Confident0 Ų056.5 Ų56.50%031%0.312CS..EExtended strand (participates in β ladder)trans-176.3168.8174.400000109.6P232 W330 H398P232-G234 WeakPolarHBondContact CB-O 3.45Å; P232-G234 WeakPolarHBondContact CG-O 3.4Å; P232-G234 PolarHBondContact O-N 3.06Å; G234-W330 WeakPolarHBondContact O-CZ2 2.97Å; G234-W330 PolarHBondContact O-NE1 2.94Å; G234-H398 CarbonylContact C-O 3.47Å; G234-H398 WeakPolarHBondContact CA-O 3.25Å
235F96.3Very high85.9Confident80 Ų8064.8 Ų64.835%0.35135%0.351SS..EExtended strand (participates in β ladder)trans-152.8162.3176.458.8-93.8000111.3P232 H398P232-F235 HydrophobicContact CG-CB 4.33Å; P232-F235 HydrophobicContact CG-CD1 4.21Å; F235-H398 HydrophobicContact CD1-CB 4.13Å; F235-H398 AromaticContact CD1-CD2 3.73Å; F235-H398 HydrophobicContact CD2-CB 4.06Å; F235-H398 HydrophobicContact CE1-CB 3.85Å; F235-H398 AromaticContact CE1-CD2 3.06Å; F235-H398 WeakPolarHBondContact CE1-CD2 3.33Å; F235-H398 AromaticContact CE1-CG 3.59Å; F235-H398 AromaticContact CE1-NE2 3.83Å; F235-H398 HydrophobicContact CE2-CB 3.74Å; F235-H398 HydrophobicContact CG-CB 4.23Å; F235-H398 HydrophobicContact CZ-CB 3.62Å; F235-H398 AromaticContact CZ-CD2 3.49Å; F235-H398 VanDerWaalsContact CZ-CD2 3.49Å; F235-H398 WeakPolarHBondContact CZ-CD2 3.43Å; F235-H398 AromaticContact CZ-CG 3.53Å; F235-H398 PolarHBondContact N-O 2.88Å; F235-H398 VanDerWaalsContact N-O 3.12Å; F235-H398 PolarHBondContact O-N 2.97Å
236L94.3Very high84.2Confident32 Ų3263.7 Ų63.717%0.16835%0.345CS..EExtended strand (participates in β ladder)trans-89.3132.9171.7-62-175.5000110.2W330 F334 V354 P355 W391 Y395 A396 V397L236-W330 HydrophobicContact CD2-CZ3 3.96Å; L236-W330 HydrophobicContact CG-CH2 4.44Å; L236-W330 HydrophobicContact CG-CZ3 3.96Å; L236-F334 HydrophobicContact CD2-CD2 4.47Å; L236-F334 HydrophobicContact CD2-CE2 4.35Å; L236-V354 HydrophobicContact CD1-CB 4.36Å; L236-V354 HydrophobicContact CD1-CG1 4.2Å; L236-V354 HydrophobicContact CG-CG1 4.43Å; L236-P355 VanDerWaalsContact CD1-CD 3.46Å; L236-P355 HydrophobicContact CD1-CG 4.34Å; L236-W391 HydrophobicContact CD1-CE3 4.3Å; L236-W391 HydrophobicContact CD2-CE3 4.07Å; L236-W391 HydrophobicContact CD2-CH2 4.24Å; L236-W391 HydrophobicContact CD2-CZ3 3.57Å; L236-Y395 HydrophobicContact CB-CD1 4.19Å; L236-Y395 HydrophobicContact CB-CG 4.32Å; L236-Y395 HydrophobicContact CD1-CG 4.4Å; L236-A396 VanDerWaalsContact CA-O 3.29Å; L236-A396 WeakPolarHBondContact CA-O 3.33Å; L236-V397 HydrophobicContact CD2-CG2 3.77Å
237Y91.4Very high82.5Confident69 Ų6963.5 Ų63.527%0.27135%0.349SS..EExtended strand (participates in β ladder)trans-119.1145.6169.666.5-88.6000110.4Y395 A396 H398Y237-Y395 VanDerWaalsContact O-CA 3.31Å; Y237-Y395 WeakPolarHBondContact O-CA 3.49Å; Y237-A396 HydrophobicContact CD1-CB 4.03Å; Y237-A396 HydrophobicContact CD2-CB 4.06Å; Y237-A396 HydrophobicContact CE1-CB 3.51Å; Y237-A396 HydrophobicContact CE2-CB 3.52Å; Y237-A396 HydrophobicContact CG-CB 4.29Å; Y237-A396 PolarHBondContact N-O 3.01Å; Y237-A396 PolarHBondContact O-N 2.97Å; Y237-A396 WeakPolarHBondContact OH-CB 3.38Å; Y237-H398 HydrophobicContact CD1-CB 4.05Å; Y237-H398 HydrophobicContact CE1-CB 4.21Å
238P90.4Very high80.7Confident90 Ų9064.8 Ų64.858%0.58436%0.364SS*.EExtended strand (participates in β ladder)trans-64.4138.4179.427.4-34.1000110.3S394P238-S394 WeakPolarHBondContact CA-O 3.45Å
239R83.9Confident79Confident48 Ų4864.9 Ų64.918%0.18137%0.365CS..  trans-79.2125.7173.4-68.9178.766.7-147.7-5.8109.1H241 P242 E244 R392 S394 A396R239-H241 PolarHBondContact NH2-O 3.38Å; R239-P242 PolarHBondContact NH2-O 3.17Å; R239-E244 PolarHBondContact NE-O 2.96Å; R239-E244 PolarHBondContact NH2-O 3.27Å; R239-R392 PolarHBondContact NH1-O 2.94Å; R239-R392 VanDerWaalsContact NH1-O 3.15Å; R239-S394 PolarHBondContact N-O 2.85Å; R239-A396 HydrophobicContact CG-CB 3.86Å
240S75.1Confident77.5Confident99 Ų9966.9 Ų66.969%0.69239%0.388SS*.SBendtrans-74.3-32.3177.2-56.70000111.1
241H68Low76Confident133 Ų13365 Ų6562%0.61638%0.384SS*.  trans-139.9140.5177.5-73.5-63.8000114.4R239 A243 E244R239-H241 PolarHBondContact NH2-O 3.38Å; H241-A243 PolarHBondContact O-N 2.82Å; H241-A243 VanDerWaalsContact O-N 3.15Å; H241-E244 VanDerWaalsContact O-CB 3.25Å; H241-E244 WeakPolarHBondContact O-CB 3.46Å; H241-E244 PolarHBondContact O-N 3.35Å; H241-E244 VanDerWaalsContact O-N 3.12Å
242P58.1Low74.6Confident115 Ų11566 Ų6675%0.74739%0.39SS*.THydrogen-bonded Turntrans-62.3-19.7177.7-23.833.5000115.6R239R239-P242 PolarHBondContact NH2-O 3.17Å
243A58.1Low73.7Confident93 Ų9367.7 Ų67.777%0.76940%0.398SS*.THydrogen-bonded Turntrans-86.5-15.6177.900000113.6H241 Q245H241-A243 PolarHBondContact O-N 2.82Å; H241-A243 VanDerWaalsContact O-N 3.15Å; A243-Q245 PolarHBondContact O-N 2.9Å; A243-Q245 VanDerWaalsContact O-N 3.09Å
244E61.5Low72.8Confident85 Ų8571.3 Ų71.340%0.39743%0.434SS..SBendtrans-67.1106.6177.9-169.8175.3-155.800108.4R239 H241 P246R239-E244 PolarHBondContact NE-O 2.96Å; R239-E244 PolarHBondContact NH2-O 3.27Å; H241-E244 VanDerWaalsContact O-CB 3.25Å; H241-E244 WeakPolarHBondContact O-CB 3.46Å; H241-E244 PolarHBondContact O-N 3.35Å; H241-E244 VanDerWaalsContact O-N 3.12Å; E244-P246 WeakPolarHBondContact O-CD 3.29Å; E244-P246 VanDerWaalsContact O-N 3.1Å
245Q58.3Low72.2Confident186 Ų18679.4 Ų79.487%0.86946%0.464SS*.  trans-72103.9178.8-70-167.89.900108.6A243A243-Q245 PolarHBondContact O-N 2.9Å; A243-Q245 VanDerWaalsContact O-N 3.09Å
246P60.9Low71.9Confident24 Ų2476.9 Ų76.916%0.15645%0.453CS..  trans-68.6154.8-178.432.8-34.1000109.6E244 G248 A396E244-P246 WeakPolarHBondContact O-CD 3.29Å; E244-P246 VanDerWaalsContact O-N 3.1Å; P246-G248 PolarHBondContact O-N 2.85Å; P246-A396 HydrophobicContact CB-CB 3.31Å; P246-A396 HydrophobicContact CG-CB 4.36Å
247S59.1Low71.7Confident74 Ų7485.9 Ų85.952%0.51749%0.485SS..SBendtrans-50.6141.4176.8-53.70000111.8L335S247-L335 VanDerWaalsContact O-CD2 3.26Å; S247-L335 WeakPolarHBondContact O-CD2 3.31Å
248G58.8Low71.9Confident39 Ų3983.3 Ų83.340%0.40248%0.48SS..SBendtrans106.5165.8-179.700000114.1P246 L335P246-G248 PolarHBondContact O-N 2.85Å; G248-L335 CarbonylContact C-O 3.59Å; G248-L335 WeakPolarHBondContact CA-O 3.18Å
249L60.6Low72.2Confident52 Ų5280.5 Ų80.527%0.27246%0.46SS..  trans-79.3124.1179.4-60.7172.1000108.8A308 L335L249-A308 HydrophobicContact CD1-CB 3.52Å; L249-L335 PolarHBondContact N-O 2.65Å
250G65.2Low72.9Confident51 Ų5178.3 Ų78.353%0.52645%0.452SS..  trans-53.8138.2165.100000109P252G250-P252 WeakPolarHBondContact O-CD 3.24Å
251P65.6Low74Confident43 Ų4373.6 Ų73.628%0.27942%0.419SS..  trans-58.2104.1-168.521-31.1000109.6L253 F389P251-L253 VanDerWaalsContact C-N 3.25Å; P251-L253 PolarHBondContact O-N 2.96Å; P251-F389 HydrophobicContact CB-CD1 3.88Å; P251-F389 HydrophobicContact CB-CD2 4.21Å; P251-F389 HydrophobicContact CB-CE1 3.8Å; P251-F389 HydrophobicContact CB-CE2 4.14Å; P251-F389 HydrophobicContact CB-CG 4.08Å; P251-F389 HydrophobicContact CB-CZ 3.92Å; P251-F389 HydrophobicContact CG-CB 4.29Å; P251-F389 HydrophobicContact CG-CD1 3.97Å; P251-F389 HydrophobicContact CG-CD2 4.33Å; P251-F389 HydrophobicContact CG-CE1 4.4Å; P251-F389 HydrophobicContact CG-CG 3.91Å
252P68.2Low75.5Confident24 Ų2467.4 Ų67.416%0.15639%0.39CS..  trans-88.775.6-164.734-30.7000107.4G250 A254 R255 K256 A308G250-P252 WeakPolarHBondContact O-CD 3.24Å; P252-A254 PolarHBondContact O-N 3.01Å; P252-A254 VanDerWaalsContact O-N 3.13Å; P252-R255 HydrophobicContact CB-CB 3.91Å; P252-R255 HydrophobicContact CB-CG 3.99Å; P252-R255 HydrophobicContact CG-CB 4.16Å; P252-R255 CarbonylContact O-C 3.5Å; P252-R255 WeakPolarHBondContact O-CA 3.49Å; P252-R255 WeakPolarHBondContact O-CB 3.06Å; P252-R255 PolarHBondContact O-N 3.07Å; P252-K256 PolarHBondContact O-N 2.03Å; P252-A308 HydrophobicContact CG-CB 4.48Å
253L78.3Confident77.3Confident55 Ų5563 Ų6329%0.28836%0.361SS..G310 helixtrans-51.2-41.4-173.3-61.4-176.6000112.1P251 R255 K256 V382 Y385 R386P251-L253 VanDerWaalsContact C-N 3.25Å; P251-L253 PolarHBondContact O-N 2.96Å; L253-R255 PolarHBondContact O-N 3.18Å; L253-K256 WeakPolarHBondContact O-CB 3.31Å; L253-K256 PolarHBondContact O-N 3.23Å; L253-V382 HydrophobicContact CD1-CG1 4.46Å; L253-Y385 HydrophobicContact CD2-CD1 4.07Å; L253-Y385 HydrophobicContact CD2-CE1 3.45Å; L253-Y385 VanDerWaalsContact CD2-CE1 3.45Å; L253-R386 HydrophobicContact CD1-CG 3.92Å
254A81Confident78.9Confident105 Ų10558.7 Ų58.787%0.86833%0.325SS*.G310 helixtrans-66.8-18.6177.100000114.3P252P252-A254 PolarHBondContact O-N 3.01Å; P252-A254 VanDerWaalsContact O-N 3.13Å
255R82.9Confident80.1Confident171 Ų17159.9 Ų59.965%0.64534%0.343SS*.G310 helixtrans-99-4.2177.4-56.8-176178.2169.3-2.9112.8P252 L253 R257P252-R255 HydrophobicContact CB-CB 3.91Å; P252-R255 HydrophobicContact CB-CG 3.99Å; P252-R255 HydrophobicContact CG-CB 4.16Å; P252-R255 CarbonylContact O-C 3.5Å; P252-R255 WeakPolarHBondContact O-CA 3.49Å; P252-R255 WeakPolarHBondContact O-CB 3.06Å; P252-R255 PolarHBondContact O-N 3.07Å; L253-R255 PolarHBondContact O-N 3.18Å; R255-R257 PolarHBondContact O-N 3.14Å
256K90.6Very high81.4Confident26 Ų2655.6 Ų55.611%0.11332%0.323CS..  trans-70.3114.6175.1-60.8-71.6-177.7-161.40108.4P252 L253 A308 R309 Y310 K311 G337P252-K256 PolarHBondContact O-N 2.03Å; L253-K256 WeakPolarHBondContact O-CB 3.31Å; L253-K256 PolarHBondContact O-N 3.23Å; K256-A308 WeakPolarHBondContact CD-O 3.03Å; K256-A308 PolarHBondContact NZ-O 3.1Å; K256-R309 CarbonylContact C-O 3.29Å; K256-R309 WeakPolarHBondContact CA-O 3.46Å; K256-Y310 WeakPolarHBondContact CD-O 3.41Å; K256-Y310 VanDerWaalsContact CE-O 3.26Å; K256-Y310 WeakPolarHBondContact CE-O 3.35Å; K256-Y310 PolarHBondContact NZ-O 2.59Å; K256-K311 HydrophobicContact CB-CG 4.13Å; K256-K311 HydrophobicContact CD-CG 4.3Å; K256-K311 HydrophobicContact CG-CG 4.25Å; K256-G337 WeakPolarHBondContact CE-O 3.25Å; K256-G337 PolarHBondContact NZ-O 3.36Å
257R90.6Very high82.8Confident221 Ų22156.9 Ų56.983%0.83432%0.324SS*.  trans-115.2-31179.4-62.3-176.2-175.1-84.21.5112.6R255 R309R255-R257 PolarHBondContact O-N 3.14Å; R257-R309 PolarHBondContact N-O 2.87Å
258G94.9Very high84.5Confident16 Ų1656.4 Ų56.417%0.16532%0.316CS..EExtended strand (participates in β ladder)trans-105.3158.3178.200000112.4R309 Y310 K311G258-R309 PolarHBondContact N-O 3.46Å; G258-Y310 VanDerWaalsContact O-CA 3.32Å; G258-Y310 WeakPolarHBondContact O-CA 3.42Å; G258-K311 PolarHBondContact O-N 3.24Å; G258-K311 VanDerWaalsContact O-N 3.1Å
259L97.6Very high86.2Confident31 Ų3159.5 Ų59.516%0.16232%0.32CS..EExtended strand (participates in β ladder)trans-86.8-65.9-179.1-175.459.9000111.5V284 K311 F312 L376 D379L259-V284 HydrophobicContact CD2-CG2 3.42Å; L259-V284 VanDerWaalsContact CD2-CG2 3.42Å; L259-V284 HydrophobicContact CG-CG2 4.38Å; L259-K311 HydrophobicContact CD1-CD 4.42Å; L259-K311 PolarHBondContact O-N 3.26Å; L259-F312 HydrophobicContact CD1-CD2 3.91Å; L259-F312 HydrophobicContact CD1-CE2 3.81Å; L259-F312 HydrophobicContact CG-CD2 4.42Å; L259-F312 WeakPolarHBondContact O-CD2 3.18Å; L259-F312 PolarHBondContact O-N 3.03Å; L259-L376 HydrophobicContact CD2-CD2 3.76Å; L259-D379 HydrophobicContact CD1-CB 3.7Å
260V98.7Very high87.8Confident2 Ų267.1 Ų67.11%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-123.6128.8-178.7-168.60000109.9V284 V286 D287 Y310 F312 L314 L375V260-V284 HydrophobicContact CG2-CG2 4.18Å; V260-V286 HydrophobicContact CB-CG2 4.15Å; V260-V286 HydrophobicContact CG1-CG1 4.14Å; V260-V286 HydrophobicContact CG1-CG2 4.09Å; V260-D287 PolarHBondContact O-N 2.96Å; V260-Y310 VanDerWaalsContact C-CD1 3.5Å; V260-F312 WeakPolarHBondContact CA-O 3.41Å; V260-F312 HydrophobicContact CG1-CB 4.37Å; V260-F312 HydrophobicContact CG2-CB 4.26Å; V260-F312 HydrophobicContact CG2-CD2 4.38Å; V260-L314 HydrophobicContact CG1-CD1 4.3Å; V260-L314 HydrophobicContact CG1-CD2 3.59Å; V260-L314 HydrophobicContact CG1-CG 3.7Å; V260-L375 HydrophobicContact CG2-CD1 3.89Å
261A97.9Very high89.2Confident0 Ų065.6 Ų65.60%032%0.324CS..EExtended strand (participates in β ladder)trans-115149.7169.300000111.5D287 F289 Y310 F312 Y313 L314A261-D287 CarbonylContact C-O 3.42Å; A261-D287 WeakPolarHBondContact CA-O 3.44Å; A261-F289 HydrophobicContact CB-CD2 4.49Å; A261-F289 HydrophobicContact CB-CE2 4.23Å; A261-Y310 HydrophobicContact CB-CD1 3.54Å; A261-Y310 HydrophobicContact CB-CD2 3.58Å; A261-Y310 HydrophobicContact CB-CE1 3.91Å; A261-Y310 HydrophobicContact CB-CE2 3.95Å; A261-Y310 HydrophobicContact CB-CG 3.37Å; A261-F312 PolarHBondContact N-O 3.21Å; A261-Y313 HydrophobicContact CB-CD2 4.47Å; A261-Y313 CarbonylContact O-C 3.4Å; A261-Y313 WeakPolarHBondContact O-CA 3.42Å; A261-L314 PolarHBondContact O-N 3.38Å
262W97.9Very high90.7Very high2 Ų264.6 Ų64.61%0.00832%0.319CS..EExtended strand (participates in β ladder)trans-136.4125168.9-173.528.8000110.1V264 W267 R273 V274 Y277 V286 D287 V288 F289 L314 F316W262-V264 HydrophobicContact CD2-CB 4.22Å; W262-V264 HydrophobicContact CD2-CG1 4.24Å; W262-V264 HydrophobicContact CE3-CG1 4.31Å; W262-V264 HydrophobicContact CH2-CB 4.44Å; W262-V264 HydrophobicContact CH2-CG1 4.44Å; W262-V264 HydrophobicContact CH2-CG2 4.3Å; W262-V264 HydrophobicContact CZ2-CB 3.92Å; W262-V264 HydrophobicContact CZ2-CG1 4.36Å; W262-V264 HydrophobicContact CZ2-CG2 3.84Å; W262-V264 HydrophobicContact CZ3-CG1 4.41Å; W262-W267 HydrophobicContact CE3-CZ3 4.25Å; W262-W267 HydrophobicContact CH2-CE3 4.3Å; W262-W267 HydrophobicContact CH2-CH2 4.45Å; W262-W267 AromaticContact CH2-CZ3 3.81Å; W262-W267 HydrophobicContact CH2-CZ3 3.81Å; W262-W267 HydrophobicContact CZ3-CE3 4.28Å; W262-W267 AromaticContact CZ3-CH2 3.9Å; W262-W267 HydrophobicContact CZ3-CH2 3.9Å; W262-W267 AromaticContact CZ3-CZ3 3.39Å; W262-W267 HydrophobicContact CZ3-CZ3 3.39Å; W262-R273 HydrophobicContact CH2-CG 4.34Å; W262-R273 HydrophobicContact CZ2-CB 4.27Å; W262-R273 HydrophobicContact CZ2-CG 4.01Å; W262-V274 HydrophobicContact CH2-CG2 4.12Å; W262-Y277 AromaticContact CE3-CD2 3.67Å; W262-Y277 HydrophobicContact CE3-CD2 3.67Å; W262-Y277 HydrophobicContact CE3-CE2 4.21Å; W262-Y277 AromaticContact CE3-CG 3.84Å; W262-Y277 HydrophobicContact CE3-CG 3.84Å; W262-Y277 HydrophobicContact CH2-CG 4.46Å; W262-Y277 AromaticContact CZ3-CD1 3.89Å; W262-Y277 HydrophobicContact CZ3-CD1 3.89Å; W262-Y277 AromaticContact CZ3-CD2 3.81Å; W262-Y277 HydrophobicContact CZ3-CD2 3.81Å; W262-Y277 HydrophobicContact CZ3-CE2 4.5Å; W262-Y277 AromaticContact CZ3-CG 3.45Å; W262-Y277 HydrophobicContact CZ3-CG 3.45Å; W262-Y277 VanDerWaalsContact CZ3-CG 3.45Å; W262-V286 HydrophobicContact CB-CG1 4.13Å; W262-D287 PolarHBondContact N-O 2.96Å; W262-V288 HydrophobicContact CE3-CG1 4.26Å; W262-V288 HydrophobicContact CE3-CG2 4.26Å; W262-V288 CarbonylContact O-C 3.54Å; W262-V288 WeakPolarHBondContact O-CA 3.48Å; W262-F289 PolarHBondContact O-N 2.88Å; W262-L314 HydrophobicContact CB-CB 3.92Å; W262-L314 HydrophobicContact CB-CD1 3.98Å; W262-L314 HydrophobicContact CB-CG 4.12Å; W262-L314 HydrophobicContact CD2-CD1 4.4Å; W262-L314 HydrophobicContact CG-CB 3.81Å; W262-L314 HydrophobicContact CG-CD1 4.13Å; W262-L314 HydrophobicContact CG-CG 4.4Å; W262-F316 HydrophobicContact CZ2-CD2 4.5Å
263V96.3Very high92.1Very high23 Ų2363.9 Ų63.914%0.13931%0.314CS..EExtended strand (participates in β ladder)trans-107.5115.9174.5-178.60000107.7F289 V298 L303 V307 Y313V263-F289 CarbonylContact C-O 3.54Å; V263-F289 WeakPolarHBondContact CA-O 3.37Å; V263-F289 HydrophobicContact CB-CB 4.49Å; V263-F289 HydrophobicContact CG2-CB 3.96Å; V263-F289 HydrophobicContact CG2-CD2 4.4Å; V263-V298 HydrophobicContact CG1-CG2 3.98Å; V263-L303 HydrophobicContact CG1-CD1 4.02Å; V263-L303 HydrophobicContact CG2-CG 4.37Å; V263-V307 HydrophobicContact CG2-CG2 4.05Å; V263-Y313 HydrophobicContact CB-CE2 4.04Å; V263-Y313 HydrophobicContact CG2-CE2 3.87Å
264V93.1Very high93Very high3 Ų361.3 Ų61.32%0.01830%0.3CS..  trans-132.7127.1-174.560.10000111.3W262 W267 V288 F289 G290W262-V264 HydrophobicContact CD2-CB 4.22Å; W262-V264 HydrophobicContact CD2-CG1 4.24Å; W262-V264 HydrophobicContact CE3-CG1 4.31Å; W262-V264 HydrophobicContact CH2-CB 4.44Å; W262-V264 HydrophobicContact CH2-CG1 4.44Å; W262-V264 HydrophobicContact CH2-CG2 4.3Å; W262-V264 HydrophobicContact CZ2-CB 3.92Å; W262-V264 HydrophobicContact CZ2-CG1 4.36Å; W262-V264 HydrophobicContact CZ2-CG2 3.84Å; W262-V264 HydrophobicContact CZ3-CG1 4.41Å; V264-W267 HydrophobicContact CG1-CE3 3.91Å; V264-W267 HydrophobicContact CG1-CZ3 4.1Å; V264-W267 HydrophobicContact CG2-CE3 4.43Å; V264-V288 HydrophobicContact CG1-CG1 3.72Å; V264-F289 PolarHBondContact N-O 3.47Å; V264-G290 WeakPolarHBondContact O-CA 3.47Å
265S84.8Confident93.8Very high110 Ų11062.6 Ų62.677%0.76928%0.283SS*.SBendtrans-105.5-17.3179.751.70000113.7A292S265-A292 WeakPolarHBondContact O-CB 3.38Å
266H86.3Confident94.5Very high96 Ų9655.9 Ų55.944%0.44426%0.257SS..  trans-127.2105.1-179.4-169.7-73.1000109.6R273H266-R273 PolarHBondContact O-NH2 3.22Å
267W91.4Very high94.9Very high50 Ų5055.3 Ų55.319%0.18926%0.255CS..  trans-102.2126.7-177.4-171.4-83.4000110.6W262 V264 E269 V274 Y277 H278 V288 A292 G293 P294W262-W267 HydrophobicContact CE3-CZ3 4.25Å; W262-W267 HydrophobicContact CH2-CE3 4.3Å; W262-W267 HydrophobicContact CH2-CH2 4.45Å; W262-W267 AromaticContact CH2-CZ3 3.81Å; W262-W267 HydrophobicContact CH2-CZ3 3.81Å; W262-W267 HydrophobicContact CZ3-CE3 4.28Å; W262-W267 AromaticContact CZ3-CH2 3.9Å; W262-W267 HydrophobicContact CZ3-CH2 3.9Å; W262-W267 AromaticContact CZ3-CZ3 3.39Å; W262-W267 HydrophobicContact CZ3-CZ3 3.39Å; V264-W267 HydrophobicContact CG1-CE3 3.91Å; V264-W267 HydrophobicContact CG1-CZ3 4.1Å; V264-W267 HydrophobicContact CG2-CE3 4.43Å; W267-E269 PolarHBondContact NE1-OE1 2.72Å; W267-V274 HydrophobicContact CD2-CG1 4.35Å; W267-V274 HydrophobicContact CD2-CG2 4.08Å; W267-V274 HydrophobicContact CE3-CG2 4.32Å; W267-V274 HydrophobicContact CG-CG2 4.48Å; W267-V274 HydrophobicContact CH2-CG1 4.14Å; W267-V274 HydrophobicContact CZ2-CG1 3.47Å; W267-V274 VanDerWaalsContact CZ2-CG1 3.47Å; W267-V274 HydrophobicContact CZ2-CG2 4.48Å; W267-Y277 AromaticContact CH2-CD1 3.61Å; W267-Y277 HydrophobicContact CH2-CD1 3.61Å; W267-Y277 AromaticContact CH2-CE1 3.6Å; W267-Y277 HydrophobicContact CH2-CE1 3.6Å; W267-Y277 HydrophobicContact CZ2-CD1 4.4Å; W267-Y277 HydrophobicContact CZ2-CE1 4.44Å; W267-Y277 HydrophobicContact CZ3-CD1 4.45Å; W267-Y277 HydrophobicContact CZ3-CE1 4.48Å; W267-H278 AromaticContact CZ2-NE2 3.84Å; W267-V288 HydrophobicContact CZ3-CG1 4.49Å; W267-A292 HydrophobicContact CB-CB 3.67Å; W267-G293 VanDerWaalsContact CD2-CA 3.49Å; W267-P294 HydrophobicContact CH2-CG 3.92Å; W267-P294 HydrophobicContact CZ2-CG 4.5Å; W267-P294 VanDerWaalsContact CZ3-CD 3.47Å; W267-P294 HydrophobicContact CZ3-CG 4.23Å
268N93.5Very high95.2Very high65 Ų6546.9 Ų46.935%0.34823%0.225SC..  trans-149.5121.1172.6-178.5-28.1000109.2R270 Q271 V274N268-R270 PolarHBondContact O-N 3.26Å; N268-R270 VanDerWaalsContact OD1-CB 3.3Å; N268-R270 WeakPolarHBondContact OD1-CB 3.46Å; N268-R270 PolarHBondContact OD1-N 3.12Å; N268-Q271 HydrophobicContact CB-CG 3.98Å; N268-Q271 WeakPolarHBondContact O-CB 3.32Å; N268-Q271 PolarHBondContact O-N 3.15Å; N268-V274 WeakPolarHBondContact O-CB 3.38Å; N268-V274 VanDerWaalsContact O-CG2 3.28Å; N268-V274 WeakPolarHBondContact O-CG2 3.36Å
269E94.8Very high95.4Very high104 Ų10450.8 Ų50.849%0.48624%0.239SC..THydrogen-bonded Turntrans-56.9-23.2-178.7-64.7-59.6155.900113.8W267 Q271 V274 R275 H278W267-E269 PolarHBondContact NE1-OE1 2.72Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; E269-V274 WeakPolarHBondContact OE2-CG1 3.04Å; E269-R275 WeakPolarHBondContact O-CG 3.47Å; E269-H278 IonicContact OE1-NE2 3.94Å; E269-H278 IonicContact OE2-CD2 3.75Å; E269-H278 IonicContact OE2-NE2 3.59Å; E269-H278 PolarHBondContact OE2-NE2 2.65Å
270R94.5Very high95.5Very high212 Ų21249.3 Ų49.380%0.823%0.231SC*.THydrogen-bonded Turntrans-80.3-12.5177.4-56.3-175.4-178.1-163.10.6113.3N268 R275N268-R270 PolarHBondContact O-N 3.26Å; N268-R270 VanDerWaalsContact OD1-CB 3.3Å; N268-R270 WeakPolarHBondContact OD1-CB 3.46Å; N268-R270 PolarHBondContact OD1-N 3.12Å; R270-R275 PolarHBondContact O-NH1 3Å
271Q95.3Very high95.4Very high19 Ų1954.7 Ų54.79%0.08925%0.251CS..SBendtrans-78138.1178.5-70.1177.4-20.400110.9N268 E269 R273 V274 R275N268-Q271 HydrophobicContact CB-CG 3.98Å; N268-Q271 WeakPolarHBondContact O-CB 3.32Å; N268-Q271 PolarHBondContact O-N 3.15Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; Q271-R273 HydrophobicContact CB-CG 4.06Å; Q271-R273 PolarHBondContact O-N 3.37Å; Q271-R273 VanDerWaalsContact OE1-NH2 3.08Å; Q271-V274 HydrophobicContact CB-CG2 4.48Å; Q271-V274 PolarHBondContact O-N 3.23Å; Q271-R275 PolarHBondContact O-N 3.05Å
272A96.8Very high95.4Very high21 Ų2164 Ų6417%0.17429%0.286CS..Hα-helixtrans-52.9-41.2178.900000112.6V274 R275 Y276 Q320 L343A272-V274 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 2.72Å; A272-R275 PolarHBondContact O-N 3.01Å; A272-Y276 WeakPolarHBondContact O-CB 3.25Å; A272-Y276 PolarHBondContact O-N 2.91Å; A272-Q320 VanDerWaalsContact CB-OE1 3.23Å; A272-L343 HydrophobicContact CB-CD2 4.23Å
273R96.5Very high95.5Very high10 Ų1068.6 Ų68.64%0.03831%0.308CS..Hα-helixtrans-58.7-38.4177.670.5-175.6-178.5-178.6-5.8114.6W262 H266 Q271 Y277 F316 E317 L343W262-R273 HydrophobicContact CH2-CG 4.34Å; W262-R273 HydrophobicContact CZ2-CB 4.27Å; W262-R273 HydrophobicContact CZ2-CG 4.01Å; H266-R273 PolarHBondContact O-NH2 3.22Å; Q271-R273 HydrophobicContact CB-CG 4.06Å; Q271-R273 PolarHBondContact O-N 3.37Å; Q271-R273 VanDerWaalsContact OE1-NH2 3.08Å; R273-Y277 WeakPolarHBondContact O-CB 3.45Å; R273-Y277 PolarHBondContact O-N 3.04Å; R273-F316 HydrophobicContact CB-CB 3.65Å; R273-F316 HydrophobicContact CB-CD2 3.9Å; R273-F316 HydrophobicContact CB-CG 4.19Å; R273-F316 PolarHBondContact NH1-O 3.34Å; R273-E317 WeakPolarHBondContact CD-O 3.46Å; R273-L343 HydrophobicContact CB-CD2 4.3Å
274V97Very high95.6Very high0 Ų068 Ų680%030%0.304CS..Hα-helixtrans-74.5-45.1-179.21750000109.3W262 W267 N268 E269 Q271 A272 Y276 Y277 H278W262-V274 HydrophobicContact CH2-CG2 4.12Å; W267-V274 HydrophobicContact CD2-CG1 4.35Å; W267-V274 HydrophobicContact CD2-CG2 4.08Å; W267-V274 HydrophobicContact CE3-CG2 4.32Å; W267-V274 HydrophobicContact CG-CG2 4.48Å; W267-V274 HydrophobicContact CH2-CG1 4.14Å; W267-V274 HydrophobicContact CZ2-CG1 3.47Å; W267-V274 VanDerWaalsContact CZ2-CG1 3.47Å; W267-V274 HydrophobicContact CZ2-CG2 4.48Å; N268-V274 WeakPolarHBondContact O-CB 3.38Å; N268-V274 VanDerWaalsContact O-CG2 3.28Å; N268-V274 WeakPolarHBondContact O-CG2 3.36Å; E269-V274 WeakPolarHBondContact OE2-CG1 3.04Å; Q271-V274 HydrophobicContact CB-CG2 4.48Å; Q271-V274 PolarHBondContact O-N 3.23Å; A272-V274 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 2.72Å; V274-Y276 VanDerWaalsContact C-N 3.33Å; V274-Y276 PolarHBondContact O-N 2.99Å; V274-Y277 WeakPolarHBondContact O-CB 3.24Å; V274-Y277 PolarHBondContact O-N 3.42Å; V274-H278 PolarHBondContact O-CD2 3.19Å; V274-H278 PolarHBondContact O-N 2.89Å
275R97.8Very high95.8Very high133 Ų13372 Ų7250%0.50233%0.332SS..Hα-helixtrans-57.1-45.4173.5-64.1-168.5-63.8-111.6-2.7112E269 R270 Q271 A272 H278 Q279E269-R275 WeakPolarHBondContact O-CG 3.47Å; R270-R275 PolarHBondContact O-NH1 3Å; Q271-R275 PolarHBondContact O-N 3.05Å; A272-R275 PolarHBondContact O-N 3.01Å; R275-H278 WeakPolarHBondContact O-CB 3.48Å; R275-H278 PolarHBondContact O-N 3.29Å; R275-Q279 WeakPolarHBondContact O-CG 3.23Å; R275-Q279 PolarHBondContact O-N 3.4Å
276Y98.4Very high96.4Very high29 Ų2967.4 Ų67.411%0.11430%0.299CS..Hα-helixtrans-66.2-41179.3-162.8-87.8000111.8A272 V274 H278 Q279 L280 F316 L343 V362 A368 L371A272-Y276 WeakPolarHBondContact O-CB 3.25Å; A272-Y276 PolarHBondContact O-N 2.91Å; V274-Y276 VanDerWaalsContact C-N 3.33Å; V274-Y276 PolarHBondContact O-N 2.99Å; Y276-H278 VanDerWaalsContact C-N 3.32Å; Y276-H278 PolarHBondContact O-N 3.47Å; Y276-Q279 PolarHBondContact O-N 3.15Å; Y276-Q279 VanDerWaalsContact O-N 3.16Å; Y276-L280 HydrophobicContact CE1-CB 4.46Å; Y276-L280 WeakPolarHBondContact O-CB 3.29Å; Y276-L280 PolarHBondContact O-N 2.9Å; Y276-F316 AromaticContact CD1-CE2 3.9Å; Y276-F316 HydrophobicContact CD1-CE2 3.9Å; Y276-F316 AromaticContact CD1-CZ 3.73Å; Y276-F316 HydrophobicContact CD1-CZ 3.73Å; Y276-F316 HydrophobicContact CE1-CZ 4.18Å; Y276-L343 HydrophobicContact CD1-CD1 4.4Å; Y276-L343 HydrophobicContact CD2-CD1 4.22Å; Y276-L343 HydrophobicContact CG-CD1 3.87Å; Y276-V362 HydrophobicContact CD1-CG1 4.02Å; Y276-V362 HydrophobicContact CE1-CB 4.05Å; Y276-V362 HydrophobicContact CE1-CG1 3.44Å; Y276-V362 VanDerWaalsContact CE1-CG1 3.44Å; Y276-V362 HydrophobicContact CE2-CB 3.98Å; Y276-V362 HydrophobicContact CE2-CG1 4.25Å; Y276-A368 HydrophobicContact CE1-CB 4.42Å; Y276-A368 HydrophobicContact CE2-CB 4.48Å; Y276-L371 HydrophobicContact CE1-CD2 3.73Å; Y276-L371 VanDerWaalsContact OH-CD2 3.27Å; Y276-L371 WeakPolarHBondContact OH-CD2 3.2Å
277Y98.1Very high96.9Very high14 Ų1465.8 Ų65.86%0.05529%0.294CS..Hα-helixtrans-56.3-44171.5163.7-99.7000112.4W262 W267 R273 V274 Q279 L280 R281 V286 V288 P294W262-Y277 AromaticContact CE3-CD2 3.67Å; W262-Y277 HydrophobicContact CE3-CD2 3.67Å; W262-Y277 HydrophobicContact CE3-CE2 4.21Å; W262-Y277 AromaticContact CE3-CG 3.84Å; W262-Y277 HydrophobicContact CE3-CG 3.84Å; W262-Y277 HydrophobicContact CH2-CG 4.46Å; W262-Y277 AromaticContact CZ3-CD1 3.89Å; W262-Y277 HydrophobicContact CZ3-CD1 3.89Å; W262-Y277 AromaticContact CZ3-CD2 3.81Å; W262-Y277 HydrophobicContact CZ3-CD2 3.81Å; W262-Y277 HydrophobicContact CZ3-CE2 4.5Å; W262-Y277 AromaticContact CZ3-CG 3.45Å; W262-Y277 HydrophobicContact CZ3-CG 3.45Å; W262-Y277 VanDerWaalsContact CZ3-CG 3.45Å; W267-Y277 AromaticContact CH2-CD1 3.61Å; W267-Y277 HydrophobicContact CH2-CD1 3.61Å; W267-Y277 AromaticContact CH2-CE1 3.6Å; W267-Y277 HydrophobicContact CH2-CE1 3.6Å; W267-Y277 HydrophobicContact CZ2-CD1 4.4Å; W267-Y277 HydrophobicContact CZ2-CE1 4.44Å; W267-Y277 HydrophobicContact CZ3-CD1 4.45Å; W267-Y277 HydrophobicContact CZ3-CE1 4.48Å; R273-Y277 WeakPolarHBondContact O-CB 3.45Å; R273-Y277 PolarHBondContact O-N 3.04Å; V274-Y277 WeakPolarHBondContact O-CB 3.24Å; V274-Y277 PolarHBondContact O-N 3.42Å; Y277-Q279 VanDerWaalsContact C-N 3.26Å; Y277-Q279 PolarHBondContact O-N 3.49Å; Y277-L280 PolarHBondContact O-N 2.88Å; Y277-R281 HydrophobicContact CD2-CB 4.49Å; Y277-R281 HydrophobicContact CE2-CB 4.08Å; Y277-R281 WeakPolarHBondContact O-CB 3.15Å; Y277-R281 WeakPolarHBondContact O-CG 3.3Å; Y277-R281 PolarHBondContact O-N 3.23Å; Y277-V286 HydrophobicContact CD2-CB 4.34Å; Y277-V286 HydrophobicContact CD2-CG1 4.03Å; Y277-V286 HydrophobicContact CE2-CB 3.84Å; Y277-V286 HydrophobicContact CE2-CG1 3.76Å; Y277-V288 HydrophobicContact CD2-CG2 4.42Å; Y277-V288 HydrophobicContact CE2-CG2 3.47Å; Y277-V288 VanDerWaalsContact CE2-CG2 3.47Å; Y277-V288 VanDerWaalsContact OH-CG2 3.31Å; Y277-V288 WeakPolarHBondContact OH-CG2 3.38Å; Y277-P294 HydrophobicContact CE1-CG 4.41Å
278H98.1Very high97.2Very high44 Ų4464 Ų6420%0.20429%0.288CS..Hα-helixtrans-61.2-33.3177.3-80.5-66.1000113.6W267 E269 V274 R275 Y276 R281 R282W267-H278 AromaticContact CZ2-NE2 3.84Å; E269-H278 IonicContact OE1-NE2 3.94Å; E269-H278 IonicContact OE2-CD2 3.75Å; E269-H278 IonicContact OE2-NE2 3.59Å; E269-H278 PolarHBondContact OE2-NE2 2.65Å; V274-H278 PolarHBondContact O-CD2 3.19Å; V274-H278 PolarHBondContact O-N 2.89Å; R275-H278 WeakPolarHBondContact O-CB 3.48Å; R275-H278 PolarHBondContact O-N 3.29Å; Y276-H278 VanDerWaalsContact C-N 3.32Å; Y276-H278 PolarHBondContact O-N 3.47Å; H278-R281 PolarHBondContact ND1-NE 3.17Å; H278-R281 PolarHBondContact ND1-NH2 2.9Å; H278-R281 VanDerWaalsContact ND1-NH2 3.18Å; H278-R282 WeakPolarHBondContact O-CG 3.24Å
279Q98.6Very high97.3Very high99 Ų9961.6 Ų61.646%0.46328%0.275SS..Hα-helixtrans-72.9-50.5173.6-62.1173.723.500110.5R275 Y276 Y277 R281 R282 H283 A368R275-Q279 WeakPolarHBondContact O-CG 3.23Å; R275-Q279 PolarHBondContact O-N 3.4Å; Y276-Q279 PolarHBondContact O-N 3.15Å; Y276-Q279 VanDerWaalsContact O-N 3.16Å; Y277-Q279 VanDerWaalsContact C-N 3.26Å; Y277-Q279 PolarHBondContact O-N 3.49Å; Q279-R281 PolarHBondContact O-N 3.06Å; Q279-R282 WeakPolarHBondContact O-CB 3.47Å; Q279-R282 PolarHBondContact O-N 3.06Å; Q279-H283 PolarHBondContact O-CD2 3Å; Q279-H283 VanDerWaalsContact O-CD2 3.31Å; Q279-A368 HydrophobicContact CB-CB 3.7Å
280L98.8Very high97.1Very high0 Ų057.1 Ų57.10%026%0.257CS..Hα-helixtrans-62.4-43.7-175.3-176.563.3000113Y276 Y277 R282 H283 V284 V286 L314 A368 L371 A372Y276-L280 HydrophobicContact CE1-CB 4.46Å; Y276-L280 WeakPolarHBondContact O-CB 3.29Å; Y276-L280 PolarHBondContact O-N 2.9Å; Y277-L280 PolarHBondContact O-N 2.88Å; L280-R282 PolarHBondContact O-N 3.08Å; L280-H283 PolarHBondContact O-N 3.25Å; L280-V284 HydrophobicContact CD1-CG1 3.72Å; L280-V284 HydrophobicContact CG-CG1 3.79Å; L280-V284 PolarHBondContact O-N 3.38Å; L280-V286 HydrophobicContact CD2-CG2 4.35Å; L280-V286 HydrophobicContact CG-CG2 4.48Å; L280-L314 HydrophobicContact CD2-CD1 4.17Å; L280-L314 HydrophobicContact CD2-CD2 4.06Å; L280-A368 HydrophobicContact CB-CB 4.28Å; L280-A368 HydrophobicContact CD1-CB 4.47Å; L280-A368 WeakPolarHBondContact CD1-O 3.48Å; L280-L371 HydrophobicContact CD1-CD2 4.11Å; L280-L371 HydrophobicContact CD1-CG 4.23Å; L280-L371 HydrophobicContact CD2-CD2 4.49Å; L280-A372 HydrophobicContact CD1-CB 3.98Å
281R97.8Very high96.4Very high114 Ų11459 Ų5943%0.4326%0.264SS..THydrogen-bonded Turntrans-62.7-15.8-17677.6-177.5-169.1172.60.9114.1Y277 H278 Q279 H283 V284Y277-R281 HydrophobicContact CD2-CB 4.49Å; Y277-R281 HydrophobicContact CE2-CB 4.08Å; Y277-R281 WeakPolarHBondContact O-CB 3.15Å; Y277-R281 WeakPolarHBondContact O-CG 3.3Å; Y277-R281 PolarHBondContact O-N 3.23Å; H278-R281 PolarHBondContact ND1-NE 3.17Å; H278-R281 PolarHBondContact ND1-NH2 2.9Å; H278-R281 VanDerWaalsContact ND1-NH2 3.18Å; Q279-R281 PolarHBondContact O-N 3.06Å; R281-H283 PolarHBondContact O-N 3.33Å; R281-V284 WeakPolarHBondContact CA-O 3.31Å
282R98.5Very high95.7Very high197 Ų19758.8 Ų58.874%0.74327%0.265SS*.THydrogen-bonded Turntrans-72.7-18.7175-64.4174.7178.5-170.8-3112.3H278 Q279 L280H278-R282 WeakPolarHBondContact O-CG 3.24Å; Q279-R282 WeakPolarHBondContact O-CB 3.47Å; Q279-R282 PolarHBondContact O-N 3.06Å; L280-R282 PolarHBondContact O-N 3.08Å
283H98.7Very high95Very high98 Ų9860.1 Ų60.145%0.45428%0.281SS..THydrogen-bonded Turntrans-120.7-18.1-171-55.5-69.1000113.3Q279 L280 R281 A372Q279-H283 PolarHBondContact O-CD2 3Å; Q279-H283 VanDerWaalsContact O-CD2 3.31Å; L280-H283 PolarHBondContact O-N 3.25Å; R281-H283 PolarHBondContact O-N 3.33Å; H283-A372 HydrophobicContact CB-CB 3.43Å; H283-A372 VanDerWaalsContact CB-CB 3.43Å
284V98.4Very high94.4Very high10 Ų1063 Ų636%0.06130%0.301CS..SBendtrans-149.7144.1176.764.60000110.5L259 V260 L280 R281 V286 A372 L376L259-V284 HydrophobicContact CD2-CG2 3.42Å; L259-V284 VanDerWaalsContact CD2-CG2 3.42Å; L259-V284 HydrophobicContact CG-CG2 4.38Å; V260-V284 HydrophobicContact CG2-CG2 4.18Å; L280-V284 HydrophobicContact CD1-CG1 3.72Å; L280-V284 HydrophobicContact CG-CG1 3.79Å; L280-V284 PolarHBondContact O-N 3.38Å; R281-V284 WeakPolarHBondContact CA-O 3.31Å; V284-V286 HydrophobicContact CG1-CG2 4.29Å; V284-V286 PolarHBondContact O-N 3.43Å; V284-A372 HydrophobicContact CB-CB 3.9Å; V284-A372 HydrophobicContact CG1-CB 3.83Å; V284-L376 HydrophobicContact CG2-CD2 4.44Å
285S97.1Very high93.8Very high87 Ų8763.9 Ų63.961%0.60831%0.31SS*.  trans-67131.8174.8-165.20000110.7
286V98.2Very high93.5Very high13 Ų1363.8 Ų63.88%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-128.4115176.8179.90000108.2V260 W262 Y277 L280 V284 V288 L314V260-V286 HydrophobicContact CB-CG2 4.15Å; V260-V286 HydrophobicContact CG1-CG1 4.14Å; V260-V286 HydrophobicContact CG1-CG2 4.09Å; W262-V286 HydrophobicContact CB-CG1 4.13Å; Y277-V286 HydrophobicContact CD2-CB 4.34Å; Y277-V286 HydrophobicContact CD2-CG1 4.03Å; Y277-V286 HydrophobicContact CE2-CB 3.84Å; Y277-V286 HydrophobicContact CE2-CG1 3.76Å; L280-V286 HydrophobicContact CD2-CG2 4.35Å; L280-V286 HydrophobicContact CG-CG2 4.48Å; V284-V286 HydrophobicContact CG1-CG2 4.29Å; V284-V286 PolarHBondContact O-N 3.43Å; V286-V288 HydrophobicContact CG1-CG2 4.31Å; V286-V288 PolarHBondContact O-N 3.11Å; V286-L314 HydrophobicContact CG1-CD1 3.81Å
287D97.6Very high93.2Very high62 Ų6267.5 Ų67.533%0.33234%0.343SS..EExtended strand (participates in β ladder)trans-82.5116.8177.1-67-7.2000109V260 A261 W262 F289 Y310V260-D287 PolarHBondContact O-N 2.96Å; A261-D287 CarbonylContact C-O 3.42Å; A261-D287 WeakPolarHBondContact CA-O 3.44Å; W262-D287 PolarHBondContact N-O 2.96Å; D287-F289 HydrophobicContact CB-CE2 3.89Å; D287-F289 HydrophobicContact CB-CZ 4.25Å; D287-Y310 HydrophobicContact CB-CE1 3.76Å; D287-Y310 WeakPolarHBondContact CB-OH 3.11Å; D287-Y310 WeakPolarHBondContact OD2-CE1 3.47Å; D287-Y310 VanDerWaalsContact OD2-CZ 3.26Å; D287-Y310 PolarHBondContact OD2-OH 3.19Å
288V97.3Very high92.9Very high13 Ų1369.2 Ų69.28%0.07936%0.355CS..EExtended strand (participates in β ladder)trans-100129.6-177-170.80000110.2W262 V264 W267 Y277 V286 P294 G295 Q296W262-V288 HydrophobicContact CE3-CG1 4.26Å; W262-V288 HydrophobicContact CE3-CG2 4.26Å; W262-V288 CarbonylContact O-C 3.54Å; W262-V288 WeakPolarHBondContact O-CA 3.48Å; V264-V288 HydrophobicContact CG1-CG1 3.72Å; W267-V288 HydrophobicContact CZ3-CG1 4.49Å; Y277-V288 HydrophobicContact CD2-CG2 4.42Å; Y277-V288 HydrophobicContact CE2-CG2 3.47Å; Y277-V288 VanDerWaalsContact CE2-CG2 3.47Å; Y277-V288 VanDerWaalsContact OH-CG2 3.31Å; Y277-V288 WeakPolarHBondContact OH-CG2 3.38Å; V286-V288 HydrophobicContact CG1-CG2 4.31Å; V286-V288 PolarHBondContact O-N 3.11Å; V288-P294 HydrophobicContact CB-CG 4.48Å; V288-P294 HydrophobicContact CG1-CG 4.47Å; V288-P294 HydrophobicContact CG2-CG 4.46Å; V288-G295 WeakPolarHBondContact O-CA 3.35Å; V288-Q296 PolarHBondContact O-N 3.04Å
289F96Very high92.5Very high15 Ų1569.4 Ų69.47%0.06636%0.36CS..EExtended strand (participates in β ladder)trans-122.9161.9177-59.8-83000111.2A261 W262 V263 V264 D287 Q296 V298 T306 Y310A261-F289 HydrophobicContact CB-CD2 4.49Å; A261-F289 HydrophobicContact CB-CE2 4.23Å; W262-F289 PolarHBondContact O-N 2.88Å; V263-F289 CarbonylContact C-O 3.54Å; V263-F289 WeakPolarHBondContact CA-O 3.37Å; V263-F289 HydrophobicContact CB-CB 4.49Å; V263-F289 HydrophobicContact CG2-CB 3.96Å; V263-F289 HydrophobicContact CG2-CD2 4.4Å; V264-F289 PolarHBondContact N-O 3.47Å; D287-F289 HydrophobicContact CB-CE2 3.89Å; D287-F289 HydrophobicContact CB-CZ 4.25Å; F289-Q296 CarbonylContact C-O 3.49Å; F289-Q296 WeakPolarHBondContact CA-O 3.49Å; F289-Q296 HydrophobicContact CD1-CB 4.45Å; F289-V298 HydrophobicContact CB-CG2 4.03Å; F289-T306 HydrophobicContact CD1-CG2 4.47Å; F289-T306 HydrophobicContact CD2-CG2 4.36Å; F289-T306 HydrophobicContact CE1-CG2 4.16Å; F289-T306 HydrophobicContact CE2-CG2 4.05Å; F289-T306 HydrophobicContact CZ-CG2 3.95Å; F289-Y310 AromaticContact CE2-CE2 3.94Å; F289-Y310 HydrophobicContact CE2-CE2 3.94Å; F289-Y310 AromaticContact CE2-CZ 3.87Å; F289-Y310 HydrophobicContact CZ-CE2 4.19Å; F289-Y310 WeakPolarHBondContact CZ-OH 3.31Å
290G89.1Confident91.9Very high10 Ų1070.3 Ų70.310%0.10338%0.384CS..SBendtrans110.7174.7-17700000111.6V264 A292 G295 Q296V264-G290 WeakPolarHBondContact O-CA 3.47Å; G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 3.01Å; G290-G295 CarbonylContact O-C 3.58Å; G290-G295 VanDerWaalsContact O-C 3.29Å; G290-Q296 PolarHBondContact N-O 3.34Å; G290-Q296 CarbonylContact O-C 3.58Å
291R80.8Confident91.2Very high250 Ų25074 Ų7494%0.94341%0.407SS*.SBendtrans-86.93.6-175.2-65.2-176.9178.6173.2-1.1113.6
292A79.5Confident90.9Very high15 Ų1569.9 Ų69.912%0.12440%0.4CS..SBendtrans-120.7149.5-17100000111.5S265 W267 G290 G295S265-A292 WeakPolarHBondContact O-CB 3.38Å; W267-A292 HydrophobicContact CB-CB 3.67Å; G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 3.01Å; A292-G295 PolarHBondContact O-N 2.9Å
293G82Confident90.6Very high49 Ų4962.3 Ų62.351%0.50537%0.374SS..THydrogen-bonded Turntrans61.7-144.2-179.500000112.9W267 G295W267-G293 VanDerWaalsContact CD2-CA 3.49Å; G293-G295 PolarHBondContact O-N 2.86Å; G293-G295 VanDerWaalsContact O-N 3.14Å
294P85.1Confident90.4Very high71 Ų7159.7 Ų59.746%0.46136%0.363SS..THydrogen-bonded Turntrans-77.31317635.7-35.7000112.8W267 Y277 V288W267-P294 HydrophobicContact CH2-CG 3.92Å; W267-P294 HydrophobicContact CZ2-CG 4.5Å; W267-P294 VanDerWaalsContact CZ3-CD 3.47Å; W267-P294 HydrophobicContact CZ3-CG 4.23Å; Y277-P294 HydrophobicContact CE1-CG 4.41Å; V288-P294 HydrophobicContact CB-CG 4.48Å; V288-P294 HydrophobicContact CG1-CG 4.47Å; V288-P294 HydrophobicContact CG2-CG 4.46Å
295G84.3Confident90Very high18 Ų1863.8 Ų63.819%0.18638%0.381CS..PPolyproline II helixtrans-68.8138.2-173.300000113.1V288 G290 A292 G293V288-G295 WeakPolarHBondContact O-CA 3.35Å; G290-G295 CarbonylContact O-C 3.58Å; G290-G295 VanDerWaalsContact O-C 3.29Å; A292-G295 PolarHBondContact O-N 2.9Å; G293-G295 PolarHBondContact O-N 2.86Å; G293-G295 VanDerWaalsContact O-N 3.14Å
296Q91.6Very high89.9Confident131 Ų13159.6 Ų59.661%0.61235%0.352SS*.BIsolated β-bridgetrans-87.5153.8169.5-63.8-177.3-3.200110.8V288 F289 G290 V298V288-Q296 PolarHBondContact O-N 3.04Å; F289-Q296 CarbonylContact C-O 3.49Å; F289-Q296 WeakPolarHBondContact CA-O 3.49Å; F289-Q296 HydrophobicContact CD1-CB 4.45Å; G290-Q296 PolarHBondContact N-O 3.34Å; G290-Q296 CarbonylContact O-C 3.58Å; Q296-V298 PolarHBondContact O-N 2.87Å
297P91.7Very high89.7Confident108 Ų10859 Ų5970%0.70135%0.349SS*.PPolyproline II helixtrans-52.8136.7172.7-25.134.5000111.6P299P297-P299 WeakPolarHBondContact O-CD 3.4Å
298V91.8Very high89.6Confident49 Ų4956.3 Ų56.330%0.29734%0.335SS..PPolyproline II helixtrans-61.9128.2171.7177.80000107.8V263 F289 Q296 L303V263-V298 HydrophobicContact CG1-CG2 3.98Å; F289-V298 HydrophobicContact CB-CG2 4.03Å; Q296-V298 PolarHBondContact O-N 2.87Å; V298-L303 HydrophobicContact CG1-CB 4.34Å
299P89Confident89.5Confident49 Ų4960.2 Ų60.232%0.31835%0.348SS..PPolyproline II helixtrans-57154.3-179.4-25.833.1000113.1P297 V301 G302 T306P297-P299 WeakPolarHBondContact O-CD 3.4Å; P299-V301 HydrophobicContact CB-CG1 4.14Å; P299-V301 PolarHBondContact O-N 3.49Å; P299-G302 PolarHBondContact O-N 3.42Å; P299-T306 WeakPolarHBondContact CD-OG1 3.27Å; P299-T306 HydrophobicContact CG-CG2 4.26Å
300A85.9Confident89.5Confident117 Ų11760.5 Ų60.597%0.96735%0.349SS*.THydrogen-bonded Turntrans-58.2-23.3-177.500000114.2G302A300-G302 PolarHBondContact O-N 2.84Å; A300-G302 VanDerWaalsContact O-N 3.07Å
301V85.2Confident89.9Confident78 Ų7861.6 Ų61.647%0.47335%0.351SS..THydrogen-bonded Turntrans-61.2-13.5171.9780000112.9P299 H305P299-V301 HydrophobicContact CB-CG1 4.14Å; P299-V301 PolarHBondContact O-N 3.49Å; V301-H305 HydrophobicContact CB-CB 4.23Å; V301-H305 HydrophobicContact CG1-CB 3.84Å; V301-H305 HydrophobicContact CG2-CB 3.57Å; V301-H305 PolarHBondContact O-CD2 3.46Å; V301-H305 VanDerWaalsContact O-CD2 3.25Å
302G91.8Very high90.8Very high28 Ų2849.7 Ų49.729%0.28931%0.306SS..  trans92.6168.8175.300000113.7P299 A300 T306P299-G302 PolarHBondContact O-N 3.42Å; A300-G302 PolarHBondContact O-N 2.84Å; A300-G302 VanDerWaalsContact O-N 3.07Å; G302-T306 WeakPolarHBondContact O-CB 3.3Å; G302-T306 PolarHBondContact O-N 3.26Å; G302-T306 PolarHBondContact O-OG1 2.91Å
303L92.5Very high91.7Very high37 Ų3749 Ų4919%0.19430%0.3CS..Hα-helixtrans-59.8-53.7-174.9-173.1161.2000111.8V263 V298 H305 T306 V307 N332V263-L303 HydrophobicContact CG1-CD1 4.02Å; V263-L303 HydrophobicContact CG2-CG 4.37Å; V298-L303 HydrophobicContact CG1-CB 4.34Å; L303-H305 PolarHBondContact O-N 2.86Å; L303-T306 WeakPolarHBondContact O-CB 3.47Å; L303-T306 PolarHBondContact O-N 2.93Å; L303-T306 VanDerWaalsContact O-N 3.08Å; L303-V307 HydrophobicContact CD2-CG2 3.89Å; L303-V307 HydrophobicContact CG-CG2 4.5Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.41Å; L303-N332 HydrophobicContact CD2-CB 3.81Å; L303-N332 VanDerWaalsContact CD2-CG 3.47Å; L303-N332 WeakPolarHBondContact CD2-OD1 3.36Å
304L92.7Very high92.5Very high43 Ų4346.6 Ų46.623%0.22528%0.276CS..Hα-helixtrans-60.1-46.7-174-68-177.8000111.9T306 V307 A308 R331 L335 A336L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 2.73Å; L304-V307 PolarHBondContact O-N 2.99Å; L304-A308 VanDerWaalsContact O-CB 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.4Å; L304-A308 PolarHBondContact O-N 3.09Å; L304-R331 HydrophobicContact CD2-CG 3.92Å; L304-R331 WeakPolarHBondContact CD2-O 3.22Å; L304-L335 HydrophobicContact CD2-CB 4.34Å; L304-A336 HydrophobicContact CD2-CB 4.45Å
305H91.8Very high93.1Very high96 Ų9643.3 Ų43.344%0.44425%0.254SS..Hα-helixtrans-66.7-31.8177.1-72.9-73.2000112.7V301 L303V301-H305 HydrophobicContact CB-CB 4.23Å; V301-H305 HydrophobicContact CG1-CB 3.84Å; V301-H305 HydrophobicContact CG2-CB 3.57Å; V301-H305 PolarHBondContact O-CD2 3.46Å; V301-H305 VanDerWaalsContact O-CD2 3.25Å; L303-H305 PolarHBondContact O-N 2.86Å
306T93.8Very high93.8Very high0 Ų042.4 Ų42.40%025%0.246CC..Hα-helixtrans-66.3-54.2174.3-62.60000110.7F289 P299 G302 L303 L304 A308 R309 Y310F289-T306 HydrophobicContact CD1-CG2 4.47Å; F289-T306 HydrophobicContact CD2-CG2 4.36Å; F289-T306 HydrophobicContact CE1-CG2 4.16Å; F289-T306 HydrophobicContact CE2-CG2 4.05Å; F289-T306 HydrophobicContact CZ-CG2 3.95Å; P299-T306 WeakPolarHBondContact CD-OG1 3.27Å; P299-T306 HydrophobicContact CG-CG2 4.26Å; G302-T306 WeakPolarHBondContact O-CB 3.3Å; G302-T306 PolarHBondContact O-N 3.26Å; G302-T306 PolarHBondContact O-OG1 2.91Å; L303-T306 WeakPolarHBondContact O-CB 3.47Å; L303-T306 PolarHBondContact O-N 2.93Å; L303-T306 VanDerWaalsContact O-N 3.08Å; L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 2.73Å; T306-A308 VanDerWaalsContact C-N 3.26Å; T306-A308 PolarHBondContact O-N 3.24Å; T306-R309 WeakPolarHBondContact O-CB 3.19Å; T306-R309 PolarHBondContact O-N 2.98Å; T306-R309 VanDerWaalsContact O-N 3.16Å; T306-R309 PolarHBondContact OG1-NH2 2.87Å; T306-Y310 WeakPolarHBondContact O-CD2 3.47Å
307V95.3Very high94.1Very high0 Ų036.2 Ų36.20%022%0.216CC..Hα-helixtrans-63.6-31.8179.81800000111.9V263 L303 L304 R309 Y310 Y313 N332 A336 A338V263-V307 HydrophobicContact CG2-CG2 4.05Å; L303-V307 HydrophobicContact CD2-CG2 3.89Å; L303-V307 HydrophobicContact CG-CG2 4.5Å; L303-V307 WeakPolarHBondContact O-CG2 3.39Å; L303-V307 PolarHBondContact O-N 3.41Å; L304-V307 PolarHBondContact O-N 2.99Å; V307-R309 PolarHBondContact O-N 3.18Å; V307-Y310 PolarHBondContact O-N 3.12Å; V307-Y313 HydrophobicContact CB-CD2 4.33Å; V307-Y313 HydrophobicContact CG1-CD2 3.57Å; V307-Y313 HydrophobicContact CG1-CE2 4.38Å; V307-Y313 HydrophobicContact CG1-CG 3.8Å; V307-Y313 HydrophobicContact CG2-CD2 3.72Å; V307-Y313 HydrophobicContact CG2-CE2 3.76Å; V307-N332 WeakPolarHBondContact CG1-O 3.42Å; V307-A336 HydrophobicContact CB-CB 3.81Å; V307-A336 HydrophobicContact CG1-CB 3.77Å; V307-A338 HydrophobicContact CG1-CB 3.9Å
308A94.5Very high94.3Very high6 Ų632.2 Ų32.25%0.0519%0.189CC..Hα-helixtrans-60.1-21.7178.300000113.9L249 P252 K256 L304 T306 Y310 A336L249-A308 HydrophobicContact CD1-CB 3.52Å; P252-A308 HydrophobicContact CG-CB 4.48Å; K256-A308 WeakPolarHBondContact CD-O 3.03Å; K256-A308 PolarHBondContact NZ-O 3.1Å; L304-A308 VanDerWaalsContact O-CB 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.4Å; L304-A308 PolarHBondContact O-N 3.09Å; T306-A308 VanDerWaalsContact C-N 3.26Å; T306-A308 PolarHBondContact O-N 3.24Å; A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 PolarHBondContact O-N 3.38Å; A308-A336 VanDerWaalsContact CA-O 3.24Å; A308-A336 WeakPolarHBondContact CA-O 3.34Å; A308-A336 HydrophobicContact CB-CB 4.38Å; A308-A336 VanDerWaalsContact CB-O 3.27Å; A308-A336 WeakPolarHBondContact CB-O 3.35Å
309R94.7Very high94.5Very high94 Ų9430.2 Ų30.236%0.35518%0.177SC..THydrogen-bonded Turntrans-80.3-1.8174.8-63.6-179.8-75.6-172.9-2113.7K256 R257 G258 T306 V307K256-R309 CarbonylContact C-O 3.29Å; K256-R309 WeakPolarHBondContact CA-O 3.46Å; R257-R309 PolarHBondContact N-O 2.87Å; G258-R309 PolarHBondContact N-O 3.46Å; T306-R309 WeakPolarHBondContact O-CB 3.19Å; T306-R309 PolarHBondContact O-N 2.98Å; T306-R309 VanDerWaalsContact O-N 3.16Å; T306-R309 PolarHBondContact OG1-NH2 2.87Å; V307-R309 PolarHBondContact O-N 3.18Å
310Y97.1Very high94.8Very high22 Ų2232.2 Ų32.29%0.08618%0.182CC..EExtended strand (participates in β ladder)trans-114.5142.3-178.5-70.3-97.3000112.4K256 G258 V260 A261 D287 F289 T306 V307 A308K256-Y310 WeakPolarHBondContact CD-O 3.41Å; K256-Y310 VanDerWaalsContact CE-O 3.26Å; K256-Y310 WeakPolarHBondContact CE-O 3.35Å; K256-Y310 PolarHBondContact NZ-O 2.59Å; G258-Y310 VanDerWaalsContact O-CA 3.32Å; G258-Y310 WeakPolarHBondContact O-CA 3.42Å; V260-Y310 VanDerWaalsContact C-CD1 3.5Å; A261-Y310 HydrophobicContact CB-CD1 3.54Å; A261-Y310 HydrophobicContact CB-CD2 3.58Å; A261-Y310 HydrophobicContact CB-CE1 3.91Å; A261-Y310 HydrophobicContact CB-CE2 3.95Å; A261-Y310 HydrophobicContact CB-CG 3.37Å; D287-Y310 HydrophobicContact CB-CE1 3.76Å; D287-Y310 WeakPolarHBondContact CB-OH 3.11Å; D287-Y310 WeakPolarHBondContact OD2-CE1 3.47Å; D287-Y310 VanDerWaalsContact OD2-CZ 3.26Å; D287-Y310 PolarHBondContact OD2-OH 3.19Å; F289-Y310 AromaticContact CE2-CE2 3.94Å; F289-Y310 HydrophobicContact CE2-CE2 3.94Å; F289-Y310 AromaticContact CE2-CZ 3.87Å; F289-Y310 HydrophobicContact CZ-CE2 4.19Å; F289-Y310 WeakPolarHBondContact CZ-OH 3.31Å; T306-Y310 WeakPolarHBondContact O-CD2 3.47Å; V307-Y310 PolarHBondContact O-N 3.12Å; A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 PolarHBondContact O-N 3.38Å
311K97.3Very high95.4Very high32 Ų3228.4 Ų28.414%0.13915%0.145CC..EExtended strand (participates in β ladder)trans-67-45.8176.6-74-172.9176.71780111K256 G258 L259 V339 D379 Y385K256-K311 HydrophobicContact CB-CG 4.13Å; K256-K311 HydrophobicContact CD-CG 4.3Å; K256-K311 HydrophobicContact CG-CG 4.25Å; G258-K311 PolarHBondContact O-N 3.24Å; G258-K311 VanDerWaalsContact O-N 3.1Å; L259-K311 HydrophobicContact CD1-CD 4.42Å; L259-K311 PolarHBondContact O-N 3.26Å; K311-V339 PolarHBondContact O-N 3.12Å; K311-D379 VanDerWaalsContact CD-OD1 3.26Å; K311-D379 WeakPolarHBondContact CD-OD1 3.36Å; K311-D379 VanDerWaalsContact CE-OD1 3.26Å; K311-D379 WeakPolarHBondContact CE-OD1 3.37Å; K311-D379 PolarHBondContact NZ-O 3.46Å; K311-D379 IonicContact NZ-OD1 3.23Å; K311-D379 PolarHBondContact NZ-OD1 3.27Å; K311-Y385 WeakPolarHBondContact CA-OH 3.43Å; K311-Y385 HydrophobicContact CB-CE2 3.88Å; K311-Y385 HydrophobicContact CD-CE2 4.5Å; K311-Y385 HydrophobicContact CG-CE2 4.29Å; K311-Y385 PolarHBondContact O-OH 2.9Å
312F98.6Very high96Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-116.9144.2-177.6-54.7-74.7000111.4L259 V260 A261 V339 V341 I360 L375 L378 Y385L259-F312 HydrophobicContact CD1-CD2 3.91Å; L259-F312 HydrophobicContact CD1-CE2 3.81Å; L259-F312 HydrophobicContact CG-CD2 4.42Å; L259-F312 WeakPolarHBondContact O-CD2 3.18Å; L259-F312 PolarHBondContact O-N 3.03Å; V260-F312 WeakPolarHBondContact CA-O 3.41Å; V260-F312 HydrophobicContact CG1-CB 4.37Å; V260-F312 HydrophobicContact CG2-CB 4.26Å; V260-F312 HydrophobicContact CG2-CD2 4.38Å; A261-F312 PolarHBondContact N-O 3.21Å; F312-V339 WeakPolarHBondContact CA-O 3.27Å; F312-V339 HydrophobicContact CD1-CB 3.81Å; F312-V339 HydrophobicContact CD1-CG1 4.16Å; F312-V339 HydrophobicContact CE1-CB 4.02Å; F312-V339 HydrophobicContact CE1-CG1 4.22Å; F312-V341 HydrophobicContact CB-CG2 4.14Å; F312-V341 HydrophobicContact CD1-CG2 4.28Å; F312-I360 HydrophobicContact CD1-CD1 4.1Å; F312-I360 HydrophobicContact CE1-CD1 3.79Å; F312-L375 HydrophobicContact CD1-CD2 3.73Å; F312-L375 HydrophobicContact CD2-CB 4.3Å; F312-L375 HydrophobicContact CD2-CD2 4.08Å; F312-L375 HydrophobicContact CE1-CD2 3.76Å; F312-L375 HydrophobicContact CE2-CB 4.09Å; F312-L375 HydrophobicContact CE2-CD2 4.1Å; F312-L375 HydrophobicContact CG-CD2 3.91Å; F312-L375 HydrophobicContact CZ-CD2 3.96Å; F312-L378 HydrophobicContact CE1-CD1 3.8Å; F312-L378 HydrophobicContact CZ-CB 3.71Å; F312-L378 HydrophobicContact CZ-CD1 3.77Å; F312-L378 HydrophobicContact CZ-CG 4.42Å; F312-Y385 HydrophobicContact CE1-CD2 4.06Å; F312-Y385 AromaticContact CE1-CE2 3.95Å; F312-Y385 HydrophobicContact CE1-CE2 3.95Å; F312-Y385 AromaticContact CZ-CD2 3.86Å; F312-Y385 HydrophobicContact CZ-CD2 3.86Å; F312-Y385 AromaticContact CZ-CE2 3.96Å; F312-Y385 HydrophobicContact CZ-CE2 3.96Å
313Y98.6Very high96.3Very high0 Ų026.5 Ų26.50%013%0.127CC..EExtended strand (participates in β ladder)trans-123.4128.7170.9177.9-102.7000109.5A261 V263 V307 A315 K328 N332 A333 V339 P340 V341A261-Y313 HydrophobicContact CB-CD2 4.47Å; A261-Y313 CarbonylContact O-C 3.4Å; A261-Y313 WeakPolarHBondContact O-CA 3.42Å; V263-Y313 HydrophobicContact CB-CE2 4.04Å; V263-Y313 HydrophobicContact CG2-CE2 3.87Å; V307-Y313 HydrophobicContact CB-CD2 4.33Å; V307-Y313 HydrophobicContact CG1-CD2 3.57Å; V307-Y313 HydrophobicContact CG1-CE2 4.38Å; V307-Y313 HydrophobicContact CG1-CG 3.8Å; V307-Y313 HydrophobicContact CG2-CD2 3.72Å; V307-Y313 HydrophobicContact CG2-CE2 3.76Å; Y313-A315 HydrophobicContact CD1-CB 3.98Å; Y313-A315 HydrophobicContact CE1-CB 4.14Å; Y313-A315 PolarHBondContact O-N 3.13Å; Y313-K328 HydrophobicContact CE1-CB 4.37Å; Y313-K328 WeakPolarHBondContact CE1-O 3.47Å; Y313-N332 HydrophobicContact CD1-CB 4.26Å; Y313-N332 HydrophobicContact CE1-CB 3.53Å; Y313-N332 HydrophobicContact CE2-CB 4.35Å; Y313-N332 PolarHBondContact OH-ND2 3.15Å; Y313-N332 VanDerWaalsContact OH-ND2 3.12Å; Y313-A333 HydrophobicContact CD1-CB 3.9Å; Y313-A333 HydrophobicContact CG-CB 4.49Å; Y313-V339 PolarHBondContact N-O 2.95Å; Y313-P340 WeakPolarHBondContact O-CA 3.3Å; Y313-V341 PolarHBondContact O-N 3.1Å
314L98.8Very high96.5Very high0 Ų025 Ų250%012%0.119CC..EExtended strand (participates in β ladder)trans-7594.6173.1-57-169.6000109V260 A261 W262 L280 V286 F316 V341V260-L314 HydrophobicContact CG1-CD1 4.3Å; V260-L314 HydrophobicContact CG1-CD2 3.59Å; V260-L314 HydrophobicContact CG1-CG 3.7Å; A261-L314 PolarHBondContact O-N 3.38Å; W262-L314 HydrophobicContact CB-CB 3.92Å; W262-L314 HydrophobicContact CB-CD1 3.98Å; W262-L314 HydrophobicContact CB-CG 4.12Å; W262-L314 HydrophobicContact CD2-CD1 4.4Å; W262-L314 HydrophobicContact CG-CB 3.81Å; W262-L314 HydrophobicContact CG-CD1 4.13Å; W262-L314 HydrophobicContact CG-CG 4.4Å; L280-L314 HydrophobicContact CD2-CD1 4.17Å; L280-L314 HydrophobicContact CD2-CD2 4.06Å; V286-L314 HydrophobicContact CG1-CD1 3.81Å; L314-F316 HydrophobicContact CB-CD1 4.11Å; L314-F316 HydrophobicContact CB-CD2 4.21Å; L314-F316 HydrophobicContact CB-CE1 4.14Å; L314-F316 HydrophobicContact CB-CE2 4.23Å; L314-F316 HydrophobicContact CB-CG 4.17Å; L314-F316 HydrophobicContact CB-CZ 4.21Å; L314-F316 HydrophobicContact CD1-CD2 4.35Å; L314-F316 HydrophobicContact CD1-CE2 3.81Å; L314-F316 HydrophobicContact CD1-CZ 4.06Å; L314-F316 HydrophobicContact CD2-CE1 4.13Å; L314-F316 HydrophobicContact CD2-CE2 4.46Å; L314-F316 HydrophobicContact CD2-CZ 3.89Å; L314-F316 HydrophobicContact CG-CE2 4.39Å; L314-F316 HydrophobicContact CG-CZ 4.27Å; L314-F316 PolarHBondContact O-N 2.89Å; L314-V341 CarbonylContact C-O 3.58Å; L314-V341 HydrophobicContact CD2-CB 3.81Å; L314-V341 HydrophobicContact CD2-CG1 4.08Å; L314-V341 HydrophobicContact CD2-CG2 4.3Å
315A98.6Very high96.8Very high1 Ų123.2 Ų23.21%0.00811%0.11CC..EExtended strand (participates in β ladder)trans-84.158.4175.900000110.2Y313 K328 P340 V341 V342Y313-A315 HydrophobicContact CD1-CB 3.98Å; Y313-A315 HydrophobicContact CE1-CB 4.14Å; Y313-A315 PolarHBondContact O-N 3.13Å; A315-K328 HydrophobicContact CB-CB 4.04Å; A315-P340 HydrophobicContact CB-CB 4.05Å; A315-V341 PolarHBondContact N-O 3.13Å; A315-V342 HydrophobicContact CB-CG1 4.19Å
316F98.4Very high97.1Very high0 Ų018.7 Ų18.70%09%0.089CC..EExtended strand (participates in β ladder)trans-89116.3-174.6-66.9-5.5000112.3W262 R273 Y276 L314 K328 V341 L343 V362W262-F316 HydrophobicContact CZ2-CD2 4.5Å; R273-F316 HydrophobicContact CB-CB 3.65Å; R273-F316 HydrophobicContact CB-CD2 3.9Å; R273-F316 HydrophobicContact CB-CG 4.19Å; R273-F316 PolarHBondContact NH1-O 3.34Å; Y276-F316 AromaticContact CD1-CE2 3.9Å; Y276-F316 HydrophobicContact CD1-CE2 3.9Å; Y276-F316 AromaticContact CD1-CZ 3.73Å; Y276-F316 HydrophobicContact CD1-CZ 3.73Å; Y276-F316 HydrophobicContact CE1-CZ 4.18Å; L314-F316 HydrophobicContact CB-CD1 4.11Å; L314-F316 HydrophobicContact CB-CD2 4.21Å; L314-F316 HydrophobicContact CB-CE1 4.14Å; L314-F316 HydrophobicContact CB-CE2 4.23Å; L314-F316 HydrophobicContact CB-CG 4.17Å; L314-F316 HydrophobicContact CB-CZ 4.21Å; L314-F316 HydrophobicContact CD1-CD2 4.35Å; L314-F316 HydrophobicContact CD1-CE2 3.81Å; L314-F316 HydrophobicContact CD1-CZ 4.06Å; L314-F316 HydrophobicContact CD2-CE1 4.13Å; L314-F316 HydrophobicContact CD2-CE2 4.46Å; L314-F316 HydrophobicContact CD2-CZ 3.89Å; L314-F316 HydrophobicContact CG-CE2 4.39Å; L314-F316 HydrophobicContact CG-CZ 4.27Å; L314-F316 PolarHBondContact O-N 2.89Å; F316-K328 WeakPolarHBondContact O-CD 3.2Å; F316-K328 WeakPolarHBondContact O-CE 3.22Å; F316-V341 WeakPolarHBondContact CD1-O 3.23Å; F316-V341 HydrophobicContact CE1-CG1 4.14Å; F316-V341 WeakPolarHBondContact CE1-O 3.43Å; F316-L343 HydrophobicContact CB-CB 4.29Å; F316-L343 HydrophobicContact CD1-CB 3.41Å; F316-L343 VanDerWaalsContact CD1-CB 3.41Å; F316-L343 HydrophobicContact CE1-CB 3.73Å; F316-L343 HydrophobicContact CG-CB 3.85Å; F316-L343 HydrophobicContact CZ-CB 4.4Å; F316-V362 HydrophobicContact CE1-CG1 3.88Å; F316-V362 HydrophobicContact CZ-CG1 4Å
317E98.1Very high97.3Very high0 Ų021.8 Ų21.80%010%0.103CC..  trans-69.1151.2176.5-61-59.6168.700112.3R273 S319 Y324 T326 K328 L343R273-E317 WeakPolarHBondContact CD-O 3.46Å; E317-S319 VanDerWaalsContact CB-O 3.31Å; E317-S319 WeakPolarHBondContact CB-O 3.08Å; E317-S319 PolarHBondContact O-N 3.1Å; E317-Y324 HydrophobicContact CB-CD1 4.15Å; E317-Y324 HydrophobicContact CB-CE1 4.19Å; E317-Y324 HydrophobicContact CG-CD1 4.29Å; E317-Y324 WeakPolarHBondContact CG-O 3.39Å; E317-T326 WeakPolarHBondContact OE1-CB 3.36Å; E317-T326 PolarHBondContact OE1-N 2.93Å; E317-T326 PolarHBondContact OE1-OG1 3.46Å; E317-T326 VanDerWaalsContact OE2-CG2 3.25Å; E317-T326 WeakPolarHBondContact OE2-CG2 3.29Å; E317-T326 PolarHBondContact OE2-OG1 2.84Å; E317-K328 WeakPolarHBondContact OE2-CD 3.28Å; E317-K328 WeakPolarHBondContact OE2-CE 3.38Å; E317-K328 IonicContact OE2-NZ 2.64Å; E317-K328 PolarHBondContact OE2-NZ 2.65Å; E317-L343 PolarHBondContact N-O 3.44Å
318N95.8Very high97.4Very high24 Ų2422.8 Ų22.813%0.12811%0.108CC..SBendtrans-70.9-13.2179.962.7-3.2000113H205 Y324H205-N318 PolarHBondContact CE1-ND2 3.45Å; H205-N318 VanDerWaalsContact CE1-ND2 3.33Å; H205-N318 PolarHBondContact ND1-ND2 3.03Å; N318-Y324 WeakPolarHBondContact OD1-CE1 3.44Å; N318-Y324 PolarHBondContact OD1-OH 3.13Å
319S95.8Very high97.6Very high7 Ų722.5 Ų22.55%0.04911%0.105CC..SBendtrans-158.4164178.456.30000109.6S202 E317 H321S202-S319 WeakPolarHBondContact CB-OG 3.34Å; S202-S319 PolarHBondContact OG-OG 3.06Å; E317-S319 VanDerWaalsContact CB-O 3.31Å; E317-S319 WeakPolarHBondContact CB-O 3.08Å; E317-S319 PolarHBondContact O-N 3.1Å; S319-H321 PolarHBondContact OG-CD2 3.28Å
320Q96.7Very high97.7Very high91 Ų9118.1 Ų18.143%0.4259%0.089SC..  trans-112.296.8-174.8-66.475.678.600107.6A272 L343 G344A272-Q320 VanDerWaalsContact CB-OE1 3.23Å; Q320-L343 HydrophobicContact CG-CD2 4.35Å; Q320-G344 VanDerWaalsContact CB-O 3.25Å; Q320-G344 WeakPolarHBondContact CB-O 3.3Å; Q320-G344 WeakPolarHBondContact CG-O 3.27Å
321H97.3Very high97.7Very high37 Ų3721.7 Ų21.717%0.17110%0.102CC..  trans-135.8146.5-178.9-72.5-75.8000110P203 S204 S319 D323 Y324 P345P203-H321 HydrophobicContact CG-CB 4.4Å; S204-H321 PolarHBondContact N-NE2 3.18Å; S204-H321 PolarHBondContact OG-NE2 2.84Å; S319-H321 PolarHBondContact OG-CD2 3.28Å; H321-D323 PolarHBondContact O-N 3.28Å; H321-Y324 VanDerWaalsContact O-CB 3.3Å; H321-Y324 WeakPolarHBondContact O-CB 3.35Å; H321-Y324 PolarHBondContact O-N 3.09Å; H321-Y324 VanDerWaalsContact O-N 3.11Å; H321-P345 WeakPolarHBondContact O-CB 3.3Å
322V97.1Very high97.6Very high60 Ų6020.5 Ų20.536%0.36410%0.097SC..THydrogen-bonded Turntrans-50.4134.317968.10000111Y223 Y324 N349Y223-V322 WeakPolarHBondContact CE2-O 3.03Å; V322-Y324 PolarHBondContact O-N 3.47Å; V322-N349 WeakPolarHBondContact CG2-ND2 3.3Å
323D97.9Very high97.5Very high7 Ų720.5 Ų20.54%0.03710%0.097CC..THydrogen-bonded Turntrans62.7-0.5179.1-53-19.4000115.7Y223 T225 H321 I325 N349 R352 F353Y223-D323 HydrophobicContact CD2-CB 4.28Å; Y223-D323 WeakPolarHBondContact CD2-O 3.31Å; T225-D323 VanDerWaalsContact CB-OD2 3.31Å; T225-D323 WeakPolarHBondContact CB-OD2 3.25Å; T225-D323 WeakPolarHBondContact CG2-OD2 3.44Å; T225-D323 PolarHBondContact N-OD2 2.95Å; T225-D323 PolarHBondContact OG1-OD2 2.78Å; H321-D323 PolarHBondContact O-N 3.28Å; D323-I325 VanDerWaalsContact C-N 3.31Å; D323-I325 PolarHBondContact O-N 2.64Å; D323-N349 WeakPolarHBondContact CA-OD1 3.13Å; D323-N349 PolarHBondContact N-ND2 3.34Å; D323-N349 PolarHBondContact N-OD1 2.74Å; D323-N349 PolarHBondContact OD1-ND2 2.69Å; D323-R352 IonicContact OD1-CZ 3.7Å; D323-R352 IonicContact OD1-NH1 2.74Å; D323-R352 PolarHBondContact OD1-NH1 3.16Å; D323-R352 IonicContact OD2-NH1 3.87Å; D323-F353 HydrophobicContact CB-CE2 4.3Å; D323-F353 HydrophobicContact CB-CZ 3.95Å; D323-F353 WeakPolarHBondContact OD1-CZ 3.46Å
324Y98.3Very high97.4Very high5 Ų520.6 Ų20.62%0.0210%0.098CC..  trans-78.379.3-177.2-171.5-116.5000111.6Y223 Y233 E317 N318 H321 V322 T326Y223-Y324 AromaticContact CD1-CD2 3.82Å; Y223-Y324 HydrophobicContact CD1-CD2 3.82Å; Y223-Y324 HydrophobicContact CD1-CE2 4.29Å; Y223-Y324 HydrophobicContact CD2-CD2 4.12Å; Y223-Y324 AromaticContact CE1-CD2 3.41Å; Y223-Y324 HydrophobicContact CE1-CD2 3.41Å; Y223-Y324 VanDerWaalsContact CE1-CD2 3.41Å; Y223-Y324 AromaticContact CE1-CE2 3.94Å; Y223-Y324 HydrophobicContact CE1-CE2 3.94Å; Y223-Y324 HydrophobicContact CE1-CG 4.41Å; Y223-Y324 AromaticContact CE2-CD2 3.76Å; Y223-Y324 HydrophobicContact CE2-CD2 3.76Å; Y223-Y324 HydrophobicContact CE2-CG 4.13Å; Y223-Y324 HydrophobicContact CG-CD2 4.17Å; Y223-Y324 AromaticContact CZ-CD2 3.38Å; Y223-Y324 AromaticContact CZ-CG 3.96Å; Y233-Y324 HydrophobicContact CE2-CE2 4.42Å; E317-Y324 HydrophobicContact CB-CD1 4.15Å; E317-Y324 HydrophobicContact CB-CE1 4.19Å; E317-Y324 HydrophobicContact CG-CD1 4.29Å; E317-Y324 WeakPolarHBondContact CG-O 3.39Å; N318-Y324 WeakPolarHBondContact OD1-CE1 3.44Å; N318-Y324 PolarHBondContact OD1-OH 3.13Å; H321-Y324 VanDerWaalsContact O-CB 3.3Å; H321-Y324 WeakPolarHBondContact O-CB 3.35Å; H321-Y324 PolarHBondContact O-N 3.09Å; H321-Y324 VanDerWaalsContact O-N 3.11Å; V322-Y324 PolarHBondContact O-N 3.47Å; Y324-T326 HydrophobicContact CD1-CG2 4.29Å; Y324-T326 HydrophobicContact CD2-CG2 4Å; Y324-T326 HydrophobicContact CE1-CG2 3.86Å; Y324-T326 HydrophobicContact CE2-CG2 3.57Å; Y324-T326 HydrophobicContact CG-CG2 4.37Å
325I98.6Very high97.1Very high6 Ų621.4 Ų21.43%0.03110%0.102CC..  trans-121.1108.8-178.8-58.7172.6000108.6D323 L329 W330 P345 Y350 F353D323-I325 VanDerWaalsContact C-N 3.31Å; D323-I325 PolarHBondContact O-N 2.64Å; I325-L329 HydrophobicContact CG2-CB 3.75Å; I325-L329 HydrophobicContact CG2-CD2 3.31Å; I325-L329 HydrophobicContact CG2-CG 4.14Å; I325-W330 HydrophobicContact CG2-CZ2 4.4Å; I325-W330 PolarHBondContact O-NE1 3.2Å; I325-P345 HydrophobicContact CD1-CG 4.28Å; I325-P345 HydrophobicContact CG1-CG 3.83Å; I325-Y350 HydrophobicContact CB-CE1 4.37Å; I325-Y350 HydrophobicContact CD1-CD1 3.52Å; I325-Y350 HydrophobicContact CD1-CE1 3.77Å; I325-Y350 HydrophobicContact CD1-CG 4.05Å; I325-Y350 HydrophobicContact CG1-CD1 3.99Å; I325-Y350 HydrophobicContact CG1-CE1 3.67Å; I325-Y350 HydrophobicContact CG2-CD1 4.36Å; I325-Y350 HydrophobicContact CG2-CE1 3.86Å; I325-F353 HydrophobicContact CD1-CD2 3.51Å; I325-F353 HydrophobicContact CD1-CE2 4.02Å; I325-F353 HydrophobicContact CD1-CG 4.26Å
326T98.3Very high96.8Very high0 Ų021.3 Ų21.30%010%0.101CC..  trans-104.7-166.1-162.571.80000114Y233 E317 Y324 K328 L329 W330Y233-T326 HydrophobicContact CD2-CG2 4.13Å; Y233-T326 HydrophobicContact CE1-CG2 4.44Å; Y233-T326 HydrophobicContact CE2-CG2 3.91Å; Y233-T326 HydrophobicContact CG-CG2 4.5Å; E317-T326 WeakPolarHBondContact OE1-CB 3.36Å; E317-T326 PolarHBondContact OE1-N 2.93Å; E317-T326 PolarHBondContact OE1-OG1 3.46Å; E317-T326 VanDerWaalsContact OE2-CG2 3.25Å; E317-T326 WeakPolarHBondContact OE2-CG2 3.29Å; E317-T326 PolarHBondContact OE2-OG1 2.84Å; Y324-T326 HydrophobicContact CD1-CG2 4.29Å; Y324-T326 HydrophobicContact CD2-CG2 4Å; Y324-T326 HydrophobicContact CE1-CG2 3.86Å; Y324-T326 HydrophobicContact CE2-CG2 3.57Å; Y324-T326 HydrophobicContact CG-CG2 4.37Å; T326-K328 PolarHBondContact O-N 3.41Å; T326-K328 PolarHBondContact OG1-N 2.82Å; T326-K328 PolarHBondContact OG1-NZ 2.88Å; T326-L329 PolarHBondContact O-N 2.87Å; T326-W330 PolarHBondContact O-N 3.18Å
327E97.4Very high96.6Very high66 Ų6621.3 Ų21.331%0.30810%0.101SC..Hα-helixtrans-53.4-21.3173.779.4-65.3152.300113.4R331 N332E327-R331 HydrophobicContact CB-CB 4.13Å; E327-R331 CarbonylContact O-C 3.57Å; E327-R331 WeakPolarHBondContact O-CA 3.3Å; E327-R331 WeakPolarHBondContact O-CB 3.33Å; E327-R331 PolarHBondContact O-N 3.21Å; E327-N332 PolarHBondContact O-N 3.16Å
328K97.9Very high96.5Very high20 Ų2021.4 Ų21.49%0.08710%0.102CC..Iπ-helixtrans-61.3-45178.8-64.3174.7-156.5620111.8Y313 A315 F316 E317 T326 A333Y313-K328 HydrophobicContact CE1-CB 4.37Å; Y313-K328 WeakPolarHBondContact CE1-O 3.47Å; A315-K328 HydrophobicContact CB-CB 4.04Å; F316-K328 WeakPolarHBondContact O-CD 3.2Å; F316-K328 WeakPolarHBondContact O-CE 3.22Å; E317-K328 WeakPolarHBondContact OE2-CD 3.28Å; E317-K328 WeakPolarHBondContact OE2-CE 3.38Å; E317-K328 IonicContact OE2-NZ 2.64Å; E317-K328 PolarHBondContact OE2-NZ 2.65Å; T326-K328 PolarHBondContact O-N 3.41Å; T326-K328 PolarHBondContact OG1-N 2.82Å; T326-K328 PolarHBondContact OG1-NZ 2.88Å; K328-A333 PolarHBondContact O-N 3.5Å; K328-A333 VanDerWaalsContact O-N 3.16Å
329L98.4Very high96.6Very high0 Ų020.3 Ų20.30%010%0.096CC..Iπ-helixtrans-74.9-57.8174.2-175.576.8000110.1I325 T326 A333 F334 P340 V342 Y350 V354I325-L329 HydrophobicContact CG2-CB 3.75Å; I325-L329 HydrophobicContact CG2-CD2 3.31Å; I325-L329 HydrophobicContact CG2-CG 4.14Å; T326-L329 PolarHBondContact O-N 2.87Å; L329-A333 WeakPolarHBondContact O-CB 3.44Å; L329-A333 PolarHBondContact O-N 2.68Å; L329-F334 HydrophobicContact CD1-CE1 4.13Å; L329-F334 HydrophobicContact CD1-CZ 4.1Å; L329-F334 HydrophobicContact CD2-CE2 4.25Å; L329-F334 HydrophobicContact CD2-CZ 4.32Å; L329-F334 HydrophobicContact CG-CE1 4.49Å; L329-F334 HydrophobicContact CG-CE2 4.21Å; L329-F334 HydrophobicContact CG-CZ 4.17Å; L329-F334 PolarHBondContact O-N 2.76Å; L329-P340 HydrophobicContact CD1-CB 3.64Å; L329-P340 HydrophobicContact CD1-CG 3.54Å; L329-V342 HydrophobicContact CD1-CG1 3.79Å; L329-Y350 HydrophobicContact CD2-CD1 4.27Å; L329-Y350 HydrophobicContact CD2-CE1 4.24Å; L329-V354 HydrophobicContact CD2-CG1 4.07Å
330W97.4Very high96.8Very high3 Ų320 Ų201%0.0119%0.094CC..Iπ-helixtrans-70.5-57.4-166-59.3113.5000112.5G234 L236 I325 T326 F334 L335 F353 V354 V397 I399G234-W330 WeakPolarHBondContact O-CZ2 2.97Å; G234-W330 PolarHBondContact O-NE1 2.94Å; L236-W330 HydrophobicContact CD2-CZ3 3.96Å; L236-W330 HydrophobicContact CG-CH2 4.44Å; L236-W330 HydrophobicContact CG-CZ3 3.96Å; I325-W330 HydrophobicContact CG2-CZ2 4.4Å; I325-W330 PolarHBondContact O-NE1 3.2Å; T326-W330 PolarHBondContact O-N 3.18Å; W330-F334 AromaticContact CE3-CD2 3.91Å; W330-F334 HydrophobicContact CE3-CD2 3.91Å; W330-F334 HydrophobicContact CE3-CE2 4.11Å; W330-F334 HydrophobicContact CZ3-CD2 4.16Å; W330-F334 AromaticContact CZ3-CE2 3.96Å; W330-F334 HydrophobicContact CZ3-CE2 3.96Å; W330-F334 WeakPolarHBondContact O-CB 3.25Å; W330-L335 PolarHBondContact O-N 3.19Å; W330-F353 HydrophobicContact CH2-CB 4.34Å; W330-F353 HydrophobicContact CZ2-CB 4.23Å; W330-V354 HydrophobicContact CH2-CG1 3.42Å; W330-V354 VanDerWaalsContact CH2-CG1 3.42Å; W330-V354 HydrophobicContact CZ2-CG1 4.2Å; W330-V354 HydrophobicContact CZ3-CG1 3.8Å; W330-V397 HydrophobicContact CE3-CG1 4.06Å; W330-I399 HydrophobicContact CB-CD1 3.53Å
331R95.6Very high96.9Very high96 Ų9615.7 Ų15.736%0.3627%0.074SC..Iπ-helixtrans-82.2-53.4-175.8-177.2176.7-177.6-77.52110.8L304 E327 L335 I399L304-R331 HydrophobicContact CD2-CG 3.92Å; L304-R331 WeakPolarHBondContact CD2-O 3.22Å; E327-R331 HydrophobicContact CB-CB 4.13Å; E327-R331 CarbonylContact O-C 3.57Å; E327-R331 WeakPolarHBondContact O-CA 3.3Å; E327-R331 WeakPolarHBondContact O-CB 3.33Å; E327-R331 PolarHBondContact O-N 3.21Å; R331-L335 HydrophobicContact CG-CD1 4.48Å; R331-L335 WeakPolarHBondContact O-CB 3.37Å; R331-I399 HydrophobicContact CB-CD1 4.09Å
332N96.3Very high96.9Very high7 Ų714 Ų144%0.0377%0.066CC..Iπ-helixtrans-77.3-37.1-166.5-59.4-13.7000112.5L303 V307 Y313 E327 A336L303-N332 HydrophobicContact CD2-CB 3.81Å; L303-N332 VanDerWaalsContact CD2-CG 3.47Å; L303-N332 WeakPolarHBondContact CD2-OD1 3.36Å; V307-N332 WeakPolarHBondContact CG1-O 3.42Å; Y313-N332 HydrophobicContact CD1-CB 4.26Å; Y313-N332 HydrophobicContact CE1-CB 3.53Å; Y313-N332 HydrophobicContact CE2-CB 4.35Å; Y313-N332 PolarHBondContact OH-ND2 3.15Å; Y313-N332 VanDerWaalsContact OH-ND2 3.12Å; E327-N332 PolarHBondContact O-N 3.16Å; N332-A336 WeakPolarHBondContact O-CB 3.49Å
333A97Very high97Very high0 Ų011.7 Ų11.70%05%0.052CC..Iπ-helixtrans-91.8-63.6176.900000112.4Y313 K328 L329 A336 G337 A338 P340Y313-A333 HydrophobicContact CD1-CB 3.9Å; Y313-A333 HydrophobicContact CG-CB 4.49Å; K328-A333 PolarHBondContact O-N 3.5Å; K328-A333 VanDerWaalsContact O-N 3.16Å; L329-A333 WeakPolarHBondContact O-CB 3.44Å; L329-A333 PolarHBondContact O-N 2.68Å; A333-A336 PolarHBondContact O-N 2.96Å; A333-G337 PolarHBondContact O-N 3.02Å; A333-A338 PolarHBondContact O-N 2.85Å; A333-P340 HydrophobicContact CB-CB 3.62Å; A333-P340 HydrophobicContact CB-CG 4.14Å
334F95.6Very high97Very high2 Ų211.8 Ų11.81%0.0095%0.054CC..Iπ-helixtrans-62.9-51.9-171.9-72.7-9.9000111.9L236 L329 W330 A336 G337 P340 V354 W391 R392 V397L236-F334 HydrophobicContact CD2-CD2 4.47Å; L236-F334 HydrophobicContact CD2-CE2 4.35Å; L329-F334 HydrophobicContact CD1-CE1 4.13Å; L329-F334 HydrophobicContact CD1-CZ 4.1Å; L329-F334 HydrophobicContact CD2-CE2 4.25Å; L329-F334 HydrophobicContact CD2-CZ 4.32Å; L329-F334 HydrophobicContact CG-CE1 4.49Å; L329-F334 HydrophobicContact CG-CE2 4.21Å; L329-F334 HydrophobicContact CG-CZ 4.17Å; L329-F334 PolarHBondContact O-N 2.76Å; W330-F334 AromaticContact CE3-CD2 3.91Å; W330-F334 HydrophobicContact CE3-CD2 3.91Å; W330-F334 HydrophobicContact CE3-CE2 4.11Å; W330-F334 HydrophobicContact CZ3-CD2 4.16Å; W330-F334 AromaticContact CZ3-CE2 3.96Å; W330-F334 HydrophobicContact CZ3-CE2 3.96Å; W330-F334 WeakPolarHBondContact O-CB 3.25Å; F334-A336 VanDerWaalsContact C-N 3.27Å; F334-A336 PolarHBondContact O-N 2.91Å; F334-G337 PolarHBondContact O-N 2.85Å; F334-P340 HydrophobicContact CD1-CG 4.02Å; F334-P340 HydrophobicContact CE1-CG 3.56Å; F334-V354 HydrophobicContact CE2-CB 4.4Å; F334-V354 HydrophobicContact CE2-CG1 3.66Å; F334-V354 HydrophobicContact CZ-CB 4.24Å; F334-V354 HydrophobicContact CZ-CG1 3.94Å; F334-W391 HydrophobicContact CB-CH2 4.16Å; F334-W391 HydrophobicContact CB-CZ2 4.27Å; F334-W391 HydrophobicContact CD1-CH2 4.4Å; F334-W391 AromaticContact CD1-CZ2 3.8Å; F334-W391 HydrophobicContact CD1-CZ2 3.8Å; F334-W391 AromaticContact CD2-CH2 3.95Å; F334-W391 HydrophobicContact CD2-CH2 3.95Å; F334-W391 HydrophobicContact CD2-CZ2 4.1Å; F334-W391 HydrophobicContact CE1-CZ2 4.03Å; F334-W391 HydrophobicContact CE2-CH2 4.38Å; F334-W391 HydrophobicContact CE2-CZ2 4.33Å; F334-W391 AromaticContact CG-CH2 3.95Å; F334-W391 HydrophobicContact CG-CH2 3.95Å; F334-W391 AromaticContact CG-CZ2 3.82Å; F334-W391 HydrophobicContact CG-CZ2 3.82Å; F334-W391 HydrophobicContact CZ-CZ2 4.31Å; F334-R392 PolarHBondContact O-NH2 3.29Å; F334-V397 HydrophobicContact CB-CG2 3.93Å; F334-V397 HydrophobicContact CD2-CG2 3.99Å; F334-V397 HydrophobicContact CG-CG2 4.42Å
335L92.6Very high97Very high17 Ų1711.9 Ų11.99%0.0896%0.055CC..THydrogen-bonded Turntrans-66.2-26.5178.5-62.5-169.2000113.7S247 G248 L249 L304 W330 R331 G337 V397 I399S247-L335 VanDerWaalsContact O-CD2 3.26Å; S247-L335 WeakPolarHBondContact O-CD2 3.31Å; G248-L335 CarbonylContact C-O 3.59Å; G248-L335 WeakPolarHBondContact CA-O 3.18Å; L249-L335 PolarHBondContact N-O 2.65Å; L304-L335 HydrophobicContact CD2-CB 4.34Å; W330-L335 PolarHBondContact O-N 3.19Å; R331-L335 HydrophobicContact CG-CD1 4.48Å; R331-L335 WeakPolarHBondContact O-CB 3.37Å; L335-G337 PolarHBondContact O-N 3.26Å; L335-V397 HydrophobicContact CD2-CB 3.84Å; L335-V397 HydrophobicContact CD2-CG1 4.01Å; L335-I399 HydrophobicContact CD1-CD1 3.97Å; L335-I399 HydrophobicContact CD1-CG1 3.41Å; L335-I399 VanDerWaalsContact CD1-CG1 3.41Å; L335-I399 HydrophobicContact CD2-CG1 4.49Å; L335-I399 HydrophobicContact CG-CD1 4.08Å; L335-I399 HydrophobicContact CG-CG1 4.03Å
336A93.2Very high96.9Very high0 Ų016.2 Ų16.20%08%0.079CC..THydrogen-bonded Turntrans-77.8-9.9174.100000113L304 V307 A308 N332 A333 F334 A338L304-A336 HydrophobicContact CD2-CB 4.45Å; V307-A336 HydrophobicContact CB-CB 3.81Å; V307-A336 HydrophobicContact CG1-CB 3.77Å; A308-A336 VanDerWaalsContact CA-O 3.24Å; A308-A336 WeakPolarHBondContact CA-O 3.34Å; A308-A336 HydrophobicContact CB-CB 4.38Å; A308-A336 VanDerWaalsContact CB-O 3.27Å; A308-A336 WeakPolarHBondContact CB-O 3.35Å; N332-A336 WeakPolarHBondContact O-CB 3.49Å; A333-A336 PolarHBondContact O-N 2.96Å; F334-A336 VanDerWaalsContact C-N 3.27Å; F334-A336 PolarHBondContact O-N 2.91Å; A336-A338 VanDerWaalsContact C-N 3.33Å
337G93.3Very high96.9Very high0 Ų019.4 Ų19.40%09%0.091CC..THydrogen-bonded Turntrans68.432.1-176.400000112.7K256 A333 F334 L335K256-G337 WeakPolarHBondContact CE-O 3.25Å; K256-G337 PolarHBondContact NZ-O 3.36Å; A333-G337 PolarHBondContact O-N 3.02Å; F334-G337 PolarHBondContact O-N 2.85Å; L335-G337 PolarHBondContact O-N 3.26Å
338A96.2Very high96.9Very high1 Ų119.4 Ų19.41%0.00810%0.102CC..PPolyproline II helixtrans-100.1151169.300000109.9V307 A333 A336 P340V307-A338 HydrophobicContact CG1-CB 3.9Å; A333-A338 PolarHBondContact O-N 2.85Å; A336-A338 VanDerWaalsContact C-N 3.33Å; A338-P340 WeakPolarHBondContact O-CD 3.42Å
339V98.1Very high97Very high2 Ų218.9 Ų18.91%0.01210%0.1CC..EExtended strand (participates in β ladder)trans-78.2119.7172.1179.80000108.2K311 F312 Y313 I360 Y385 Y388 F389K311-V339 PolarHBondContact O-N 3.12Å; F312-V339 WeakPolarHBondContact CA-O 3.27Å; F312-V339 HydrophobicContact CD1-CB 3.81Å; F312-V339 HydrophobicContact CD1-CG1 4.16Å; F312-V339 HydrophobicContact CE1-CB 4.02Å; F312-V339 HydrophobicContact CE1-CG1 4.22Å; Y313-V339 PolarHBondContact N-O 2.95Å; V339-I360 HydrophobicContact CG1-CD1 3.99Å; V339-I360 HydrophobicContact CG1-CG1 4.09Å; V339-Y385 HydrophobicContact CB-CE2 4.27Å; V339-Y385 HydrophobicContact CG2-CD2 4.11Å; V339-Y385 HydrophobicContact CG2-CE2 3.44Å; V339-Y385 VanDerWaalsContact CG2-CE2 3.44Å; V339-Y388 HydrophobicContact CG1-CD1 3.72Å; V339-Y388 HydrophobicContact CG1-CD2 4.36Å; V339-Y388 HydrophobicContact CG1-CE1 4.28Å; V339-Y388 HydrophobicContact CG1-CG 3.76Å; V339-Y388 HydrophobicContact CG2-CG 4.07Å; V339-F389 HydrophobicContact CG2-CE1 4.21Å; V339-F389 HydrophobicContact CG2-CE2 3.75Å; V339-F389 HydrophobicContact CG2-CZ 3.48Å; V339-F389 VanDerWaalsContact CG2-CZ 3.48Å
340P98.6Very high97Very high1 Ų118.9 Ų18.91%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-72.2131.9177.625.9-29.5000111.1Y313 A315 L329 A333 F334 A338 V342 S358 F359 I360Y313-P340 WeakPolarHBondContact O-CA 3.3Å; A315-P340 HydrophobicContact CB-CB 4.05Å; L329-P340 HydrophobicContact CD1-CB 3.64Å; L329-P340 HydrophobicContact CD1-CG 3.54Å; A333-P340 HydrophobicContact CB-CB 3.62Å; A333-P340 HydrophobicContact CB-CG 4.14Å; F334-P340 HydrophobicContact CD1-CG 4.02Å; F334-P340 HydrophobicContact CE1-CG 3.56Å; A338-P340 WeakPolarHBondContact O-CD 3.42Å; P340-V342 HydrophobicContact CB-CG1 3.92Å; P340-S358 WeakPolarHBondContact CD-O 3.13Å; P340-F359 HydrophobicContact CG-CB 3.76Å; P340-I360 PolarHBondContact O-N 3.27Å
341V98.9Very high97Very high0 Ų022.4 Ų22.40%012%0.116CC..EExtended strand (participates in β ladder)trans-100114160.4-1760000106.3F312 Y313 L314 A315 F316 I360 V362 L371 L375F312-V341 HydrophobicContact CB-CG2 4.14Å; F312-V341 HydrophobicContact CD1-CG2 4.28Å; Y313-V341 PolarHBondContact O-N 3.1Å; L314-V341 CarbonylContact C-O 3.58Å; L314-V341 HydrophobicContact CD2-CB 3.81Å; L314-V341 HydrophobicContact CD2-CG1 4.08Å; L314-V341 HydrophobicContact CD2-CG2 4.3Å; A315-V341 PolarHBondContact N-O 3.13Å; F316-V341 WeakPolarHBondContact CD1-O 3.23Å; F316-V341 HydrophobicContact CE1-CG1 4.14Å; F316-V341 WeakPolarHBondContact CE1-O 3.43Å; V341-I360 CarbonylContact C-O 3.56Å; V341-I360 VanDerWaalsContact CA-O 3.32Å; V341-I360 WeakPolarHBondContact CA-O 3.46Å; V341-I360 HydrophobicContact CG2-CB 4.33Å; V341-I360 HydrophobicContact CG2-CD1 4.45Å; V341-V362 HydrophobicContact CG1-CG1 4.25Å; V341-L371 HydrophobicContact CG1-CD1 4.3Å; V341-L371 HydrophobicContact CG1-CD2 3.95Å; V341-L375 HydrophobicContact CG2-CD1 4.38Å; V341-L375 HydrophobicContact CG2-CD2 3.99Å
342V98.9Very high97.1Very high0 Ų024.7 Ų24.70%013%0.125CC..EExtended strand (participates in β ladder)trans-106.7144.8-167.1-55.50000112A315 L329 P340 Y350 F359 I360 H361 V362A315-V342 HydrophobicContact CB-CG1 4.19Å; L329-V342 HydrophobicContact CD1-CG1 3.79Å; P340-V342 HydrophobicContact CB-CG1 3.92Å; V342-Y350 HydrophobicContact CB-CE1 4.03Å; V342-Y350 HydrophobicContact CB-CE2 4.03Å; V342-Y350 HydrophobicContact CG1-CE1 3.97Å; V342-Y350 HydrophobicContact CG2-CD1 4.47Å; V342-Y350 HydrophobicContact CG2-CD2 4.02Å; V342-Y350 HydrophobicContact CG2-CE1 4.21Å; V342-Y350 HydrophobicContact CG2-CE2 3.71Å; V342-Y350 HydrophobicContact CG2-CG 4.4Å; V342-F359 HydrophobicContact CG1-CB 4.28Å; V342-F359 HydrophobicContact CG1-CD2 4.42Å; V342-F359 HydrophobicContact CG2-CD2 3.58Å; V342-F359 HydrophobicContact CG2-CE2 4.03Å; V342-I360 PolarHBondContact N-O 3.24Å; V342-H361 HydrophobicContact CG2-CB 4.29Å; V342-H361 VanDerWaalsContact CG2-CD2 3.44Å; V342-H361 WeakPolarHBondContact CG2-CD2 3.39Å; V342-V362 WeakPolarHBondContact O-CG1 3.46Å; V342-V362 PolarHBondContact O-N 3.36Å
343L98.6Very high97.2Very high13 Ų1326.4 Ų26.47%0.06813%0.132CC..EExtended strand (participates in β ladder)trans-143.2112.8169.5-178.6155.7000106A272 R273 Y276 F316 E317 Q320 V362A272-L343 HydrophobicContact CB-CD2 4.23Å; R273-L343 HydrophobicContact CB-CD2 4.3Å; Y276-L343 HydrophobicContact CD1-CD1 4.4Å; Y276-L343 HydrophobicContact CD2-CD1 4.22Å; Y276-L343 HydrophobicContact CG-CD1 3.87Å; F316-L343 HydrophobicContact CB-CB 4.29Å; F316-L343 HydrophobicContact CD1-CB 3.41Å; F316-L343 VanDerWaalsContact CD1-CB 3.41Å; F316-L343 HydrophobicContact CE1-CB 3.73Å; F316-L343 HydrophobicContact CG-CB 3.85Å; F316-L343 HydrophobicContact CZ-CB 4.4Å; E317-L343 PolarHBondContact N-O 3.44Å; Q320-L343 HydrophobicContact CG-CD2 4.35Å; L343-V362 HydrophobicContact CB-CG1 4.22Å; L343-V362 HydrophobicContact CB-CG2 3.98Å; L343-V362 HydrophobicContact CD1-CG1 4.45Å; L343-V362 HydrophobicContact CD1-CG2 4.05Å; L343-V362 HydrophobicContact CG-CG2 4.04Å
344G97.8Very high97.2Very high8 Ų826.6 Ų26.68%0.08213%0.133CC..SBendtrans-174.5-129.2-170.400000109.9Q320Q320-G344 VanDerWaalsContact CB-O 3.25Å; Q320-G344 WeakPolarHBondContact CB-O 3.3Å; Q320-G344 WeakPolarHBondContact CG-O 3.27Å
345P97.6Very high97.3Very high7 Ų728.7 Ų28.75%0.04515%0.148CC..SBendtrans-61.7170.5167.227.5-33.7000111.7H321 I325 N349 Y350 H361H321-P345 WeakPolarHBondContact O-CB 3.3Å; I325-P345 HydrophobicContact CD1-CG 4.28Å; I325-P345 HydrophobicContact CG1-CG 3.83Å; P345-N349 HydrophobicContact CB-CB 3.85Å; P345-N349 WeakPolarHBondContact CB-OD1 3.49Å; P345-N349 HydrophobicContact CG-CB 4.4Å; P345-N349 WeakPolarHBondContact CG-OD1 3.41Å; P345-Y350 HydrophobicContact CG-CD2 4.07Å; P345-Y350 HydrophobicContact CG-CE2 3.72Å; P345-Y350 VanDerWaalsContact O-CE2 3.29Å; P345-Y350 WeakPolarHBondContact O-CE2 3.43Å; P345-H361 PolarHBondContact O-NE2 3.23Å; P345-H361 VanDerWaalsContact O-NE2 3.13Å
346D97.6Very high97.5Very high98 Ų9836.8 Ų36.852%0.52418%0.177SC..  trans-61.7163.4178.169.150.7000112.9A348 N349 Y350D346-A348 VanDerWaalsContact C-N 3.31Å; D346-A348 PolarHBondContact O-N 3.26Å; D346-A348 WeakPolarHBondContact OD1-CA 3.43Å; D346-A348 WeakPolarHBondContact OD1-CB 3.37Å; D346-A348 PolarHBondContact OD1-N 2.97Å; D346-N349 WeakPolarHBondContact O-CB 3.48Å; D346-N349 PolarHBondContact O-N 2.97Å; D346-N349 WeakPolarHBondContact OD1-CB 3.4Å; D346-N349 PolarHBondContact OD1-N 3.2Å; D346-Y350 WeakPolarHBondContact O-CD2 3.42Å; D346-Y350 PolarHBondContact O-N 3.17Å
347R98.1Very high97.7Very high67 Ų6738.7 Ų38.725%0.25320%0.196SC..Hα-helixtrans-57.5-42.2-179.1177.1169.9179.5105.216.2112.8N349 Y350 E351 R356 F359 H361 D364R347-N349 PolarHBondContact O-N 3.1Å; R347-Y350 PolarHBondContact O-N 3.18Å; R347-E351 HydrophobicContact CG-CG 4.49Å; R347-E351 IonicContact CZ-OE1 3.49Å; R347-E351 VanDerWaalsContact CZ-OE1 3.31Å; R347-E351 IonicContact NE-OE1 3.87Å; R347-E351 PolarHBondContact NE-OE1 3.19Å; R347-E351 IonicContact NH2-OE1 3.26Å; R347-E351 PolarHBondContact NH2-OE1 3.05Å; R347-E351 WeakPolarHBondContact O-CG 3.26Å; R347-E351 PolarHBondContact O-N 3.27Å; R347-E351 VanDerWaalsContact O-N 3.08Å; R347-R356 PolarHBondContact NH2-O 3.04Å; R347-F359 HydrophobicContact CG-CE2 4.33Å; R347-F359 HydrophobicContact CG-CZ 4.23Å; R347-H361 HydrophobicContact CB-CB 4.31Å; R347-H361 HydrophobicContact CG-CB 4.39Å; R347-D364 WeakPolarHBondContact CD-OD1 2.94Å; R347-D364 IonicContact CZ-OD1 3.89Å; R347-D364 IonicContact CZ-OD2 2.8Å; R347-D364 IonicContact NE-OD1 2.88Å; R347-D364 IonicContact NH1-OD1 3.97Å; R347-D364 PolarHBondContact NH1-OD1 2.86Å; R347-D364 IonicContact NH1-OD2 2.78Å; R347-D364 PolarHBondContact NH1-OD2 2.87Å
348A98.3Very high97.9Very high66 Ų6638.7 Ų38.755%0.54520%0.196SC..Hα-helixtrans-64.3-34.8-177.900000111.1D346 E351 R352D346-A348 VanDerWaalsContact C-N 3.31Å; D346-A348 PolarHBondContact O-N 3.26Å; D346-A348 WeakPolarHBondContact OD1-CA 3.43Å; D346-A348 WeakPolarHBondContact OD1-CB 3.37Å; D346-A348 PolarHBondContact OD1-N 2.97Å; A348-E351 PolarHBondContact O-N 2.99Å; A348-R352 PolarHBondContact O-N 3.18Å
349N98.3Very high98Very high8 Ų838.7 Ų38.74%0.04320%0.196CC..Hα-helixtrans-64.7-45.9175-170.1-95.8000111.6V322 D323 P345 D346 R347 E351 R352 F353V322-N349 WeakPolarHBondContact CG2-ND2 3.3Å; D323-N349 WeakPolarHBondContact CA-OD1 3.13Å; D323-N349 PolarHBondContact N-ND2 3.34Å; D323-N349 PolarHBondContact N-OD1 2.74Å; D323-N349 PolarHBondContact OD1-ND2 2.69Å; P345-N349 HydrophobicContact CB-CB 3.85Å; P345-N349 WeakPolarHBondContact CB-OD1 3.49Å; P345-N349 HydrophobicContact CG-CB 4.4Å; P345-N349 WeakPolarHBondContact CG-OD1 3.41Å; D346-N349 WeakPolarHBondContact O-CB 3.48Å; D346-N349 PolarHBondContact O-N 2.97Å; D346-N349 WeakPolarHBondContact OD1-CB 3.4Å; D346-N349 PolarHBondContact OD1-N 3.2Å; R347-N349 PolarHBondContact O-N 3.1Å; N349-E351 VanDerWaalsContact C-N 3.27Å; N349-E351 PolarHBondContact O-N 2.96Å; N349-R352 PolarHBondContact ND2-NH1 2.67Å; N349-R352 WeakPolarHBondContact O-CB 3.4Å; N349-R352 PolarHBondContact O-N 3.48Å; N349-R352 VanDerWaalsContact O-N 3.14Å; N349-F353 WeakPolarHBondContact O-CD2 3.32Å; N349-F353 WeakPolarHBondContact O-CE2 3.43Å
350Y98.6Very high98.1Very high1 Ų138.7 Ų38.70%0.00420%0.196CC..Hα-helixtrans-56.8-41.5172.1-83.2-81.5000112.1I325 L329 V342 P345 D346 R347 R352 F353 V354 F359 H361I325-Y350 HydrophobicContact CB-CE1 4.37Å; I325-Y350 HydrophobicContact CD1-CD1 3.52Å; I325-Y350 HydrophobicContact CD1-CE1 3.77Å; I325-Y350 HydrophobicContact CD1-CG 4.05Å; I325-Y350 HydrophobicContact CG1-CD1 3.99Å; I325-Y350 HydrophobicContact CG1-CE1 3.67Å; I325-Y350 HydrophobicContact CG2-CD1 4.36Å; I325-Y350 HydrophobicContact CG2-CE1 3.86Å; L329-Y350 HydrophobicContact CD2-CD1 4.27Å; L329-Y350 HydrophobicContact CD2-CE1 4.24Å; V342-Y350 HydrophobicContact CB-CE1 4.03Å; V342-Y350 HydrophobicContact CB-CE2 4.03Å; V342-Y350 HydrophobicContact CG1-CE1 3.97Å; V342-Y350 HydrophobicContact CG2-CD1 4.47Å; V342-Y350 HydrophobicContact CG2-CD2 4.02Å; V342-Y350 HydrophobicContact CG2-CE1 4.21Å; V342-Y350 HydrophobicContact CG2-CE2 3.71Å; V342-Y350 HydrophobicContact CG2-CG 4.4Å; P345-Y350 HydrophobicContact CG-CD2 4.07Å; P345-Y350 HydrophobicContact CG-CE2 3.72Å; P345-Y350 VanDerWaalsContact O-CE2 3.29Å; P345-Y350 WeakPolarHBondContact O-CE2 3.43Å; D346-Y350 WeakPolarHBondContact O-CD2 3.42Å; D346-Y350 PolarHBondContact O-N 3.17Å; R347-Y350 PolarHBondContact O-N 3.18Å; Y350-R352 PolarHBondContact O-N 2.91Å; Y350-F353 PolarHBondContact O-N 3.33Å; Y350-V354 WeakPolarHBondContact O-CG2 3.38Å; Y350-V354 PolarHBondContact O-N 3.13Å; Y350-F359 VanDerWaalsContact CB-CZ 3.45Å; Y350-F359 HydrophobicContact CG-CE2 4.22Å; Y350-F359 HydrophobicContact CG-CZ 4.31Å; Y350-H361 AromaticContact CD2-CD2 3.85Å; Y350-H361 AromaticContact CD2-NE2 3.99Å; Y350-H361 AromaticContact CE2-NE2 3.99Å
351E98.3Very high98.1Very high76 Ų7638.7 Ų38.736%0.35520%0.196SC..Hα-helixtrans-66.3-15.2-179.2-68.6-171.8-175.300113.9R347 A348 N349 F353 V354 R356 F359R347-E351 HydrophobicContact CG-CG 4.49Å; R347-E351 IonicContact CZ-OE1 3.49Å; R347-E351 VanDerWaalsContact CZ-OE1 3.31Å; R347-E351 IonicContact NE-OE1 3.87Å; R347-E351 PolarHBondContact NE-OE1 3.19Å; R347-E351 IonicContact NH2-OE1 3.26Å; R347-E351 PolarHBondContact NH2-OE1 3.05Å; R347-E351 WeakPolarHBondContact O-CG 3.26Å; R347-E351 PolarHBondContact O-N 3.27Å; R347-E351 VanDerWaalsContact O-N 3.08Å; A348-E351 PolarHBondContact O-N 2.99Å; N349-E351 VanDerWaalsContact C-N 3.27Å; N349-E351 PolarHBondContact O-N 2.96Å; E351-F353 VanDerWaalsContact C-N 3.29Å; E351-V354 WeakPolarHBondContact CA-O 3.31Å; E351-R356 HydrophobicContact CG-CB 4.05Å; E351-R356 VanDerWaalsContact OE1-CB 3.24Å; E351-R356 WeakPolarHBondContact OE1-CB 3.37Å; E351-F359 HydrophobicContact CG-CE1 4.09Å; E351-F359 HydrophobicContact CG-CZ 3.9Å
352R97.7Very high98.1Very high144 Ų14438.9 Ų38.954%0.54320%0.197SC..THydrogen-bonded Turntrans-70-25.7169.6-64.3168.667.2-151.7-1.5112.6T225 D323 A348 N349 Y350T225-R352 PolarHBondContact OG1-NH2 3.02Å; D323-R352 IonicContact OD1-CZ 3.7Å; D323-R352 IonicContact OD1-NH1 2.74Å; D323-R352 PolarHBondContact OD1-NH1 3.16Å; D323-R352 IonicContact OD2-NH1 3.87Å; A348-R352 PolarHBondContact O-N 3.18Å; N349-R352 PolarHBondContact ND2-NH1 2.67Å; N349-R352 WeakPolarHBondContact O-CB 3.4Å; N349-R352 PolarHBondContact O-N 3.48Å; N349-R352 VanDerWaalsContact O-N 3.14Å; Y350-R352 PolarHBondContact O-N 2.91Å
353F97.8Very high98Very high43 Ų4344.7 Ų44.719%0.18923%0.228CC..THydrogen-bonded Turntrans-111-28.2-173.6-56.7-80.6000113.7T225 F230 D323 I325 W330 N349 Y350 E351T225-F353 HydrophobicContact CG2-CE1 3.54Å; T225-F353 HydrophobicContact CG2-CZ 3.47Å; T225-F353 VanDerWaalsContact CG2-CZ 3.47Å; F230-F353 AromaticContact CZ-CE1 3.87Å; F230-F353 HydrophobicContact CZ-CE1 3.87Å; D323-F353 HydrophobicContact CB-CE2 4.3Å; D323-F353 HydrophobicContact CB-CZ 3.95Å; D323-F353 WeakPolarHBondContact OD1-CZ 3.46Å; I325-F353 HydrophobicContact CD1-CD2 3.51Å; I325-F353 HydrophobicContact CD1-CE2 4.02Å; I325-F353 HydrophobicContact CD1-CG 4.26Å; W330-F353 HydrophobicContact CH2-CB 4.34Å; W330-F353 HydrophobicContact CZ2-CB 4.23Å; N349-F353 WeakPolarHBondContact O-CD2 3.32Å; N349-F353 WeakPolarHBondContact O-CE2 3.43Å; Y350-F353 PolarHBondContact O-N 3.33Å; E351-F353 VanDerWaalsContact C-N 3.29Å
354V97.8Very high98Very high4 Ų447.2 Ų47.22%0.02424%0.241CC..SBendtrans-138.9150.7-176-59.10000111.9L236 L329 W330 F334 Y350 E351 R356 F359L236-V354 HydrophobicContact CD1-CB 4.36Å; L236-V354 HydrophobicContact CD1-CG1 4.2Å; L236-V354 HydrophobicContact CG-CG1 4.43Å; L329-V354 HydrophobicContact CD2-CG1 4.07Å; W330-V354 HydrophobicContact CH2-CG1 3.42Å; W330-V354 VanDerWaalsContact CH2-CG1 3.42Å; W330-V354 HydrophobicContact CZ2-CG1 4.2Å; W330-V354 HydrophobicContact CZ3-CG1 3.8Å; F334-V354 HydrophobicContact CE2-CB 4.4Å; F334-V354 HydrophobicContact CE2-CG1 3.66Å; F334-V354 HydrophobicContact CZ-CB 4.24Å; F334-V354 HydrophobicContact CZ-CG1 3.94Å; Y350-V354 WeakPolarHBondContact O-CG2 3.38Å; Y350-V354 PolarHBondContact O-N 3.13Å; E351-V354 WeakPolarHBondContact CA-O 3.31Å; V354-R356 PolarHBondContact O-N 2.86Å; V354-F359 HydrophobicContact CG2-CD1 3.61Å; V354-F359 HydrophobicContact CG2-CE1 3.74Å
355P97.4Very high98Very high47 Ų4748.7 Ų48.731%0.30525%0.246SC..  trans-59.3138.1178.8-27.136.7000112.8L236 G357 S358 W391L236-P355 VanDerWaalsContact CD1-CD 3.46Å; L236-P355 HydrophobicContact CD1-CG 4.34Å; P355-G357 PolarHBondContact O-N 2.8Å; P355-S358 WeakPolarHBondContact O-CB 3.5Å; P355-S358 PolarHBondContact O-N 3.45Å; P355-S358 PolarHBondContact O-OG 3.17Å; P355-W391 HydrophobicContact CB-CB 4.34Å; P355-W391 HydrophobicContact CG-CB 3.86Å
356R96.9Very high98Very high187 Ų18754.5 Ų54.571%0.70628%0.283SS*.THydrogen-bonded Turntrans-47.6-29.9178.872.1-179.680.4149.13.8115.6R347 E351 V354R347-R356 PolarHBondContact NH2-O 3.04Å; E351-R356 HydrophobicContact CG-CB 4.05Å; E351-R356 VanDerWaalsContact OE1-CB 3.24Å; E351-R356 WeakPolarHBondContact OE1-CB 3.37Å; V354-R356 PolarHBondContact O-N 2.86Å
357G96.7Very high98.1Very high39 Ų3952.3 Ų52.340%0.40228%0.276SS..THydrogen-bonded Turntrans-91.910.4-179.600000114.6P355 Y388P355-G357 PolarHBondContact O-N 2.8Å; G357-Y388 VanDerWaalsContact O-CA 3.3Å; G357-Y388 WeakPolarHBondContact O-CA 3.48Å; G357-Y388 VanDerWaalsContact O-CD1 3.27Å; G357-Y388 WeakPolarHBondContact O-CD1 3.47Å
358S97.8Very high98.1Very high1 Ų149.3 Ų49.31%0.00727%0.266CS..SBendtrans-98.9-7.4-179.669.90000114.4P340 P355P340-S358 WeakPolarHBondContact CD-O 3.13Å; P355-S358 WeakPolarHBondContact O-CB 3.5Å; P355-S358 PolarHBondContact O-N 3.45Å; P355-S358 PolarHBondContact O-OG 3.17Å
359F98.7Very high98.2Very high1 Ų147.9 Ų47.90%0.00425%0.253CS..  trans-148.3164.4-174.869.6-83.9000111.7P340 V342 R347 Y350 E351 V354 H361 Y388P340-F359 HydrophobicContact CG-CB 3.76Å; V342-F359 HydrophobicContact CG1-CB 4.28Å; V342-F359 HydrophobicContact CG1-CD2 4.42Å; V342-F359 HydrophobicContact CG2-CD2 3.58Å; V342-F359 HydrophobicContact CG2-CE2 4.03Å; R347-F359 HydrophobicContact CG-CE2 4.33Å; R347-F359 HydrophobicContact CG-CZ 4.23Å; Y350-F359 VanDerWaalsContact CB-CZ 3.45Å; Y350-F359 HydrophobicContact CG-CE2 4.22Å; Y350-F359 HydrophobicContact CG-CZ 4.31Å; E351-F359 HydrophobicContact CG-CE1 4.09Å; E351-F359 HydrophobicContact CG-CZ 3.9Å; V354-F359 HydrophobicContact CG2-CD1 3.61Å; V354-F359 HydrophobicContact CG2-CE1 3.74Å; F359-H361 HydrophobicContact CD2-CB 4.42Å; F359-H361 HydrophobicContact CE2-CB 4.04Å; F359-Y388 WeakPolarHBondContact O-CE1 3.36Å
360I98.9Very high98.2Very high1 Ų149 Ų491%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-114.9120.7174.2-60.1173.4000107.2F312 V339 P340 V341 V342 F365 L371 Y374 L375 L378 Y388F312-I360 HydrophobicContact CD1-CD1 4.1Å; F312-I360 HydrophobicContact CE1-CD1 3.79Å; V339-I360 HydrophobicContact CG1-CD1 3.99Å; V339-I360 HydrophobicContact CG1-CG1 4.09Å; P340-I360 PolarHBondContact O-N 3.27Å; V341-I360 CarbonylContact C-O 3.56Å; V341-I360 VanDerWaalsContact CA-O 3.32Å; V341-I360 WeakPolarHBondContact CA-O 3.46Å; V341-I360 HydrophobicContact CG2-CB 4.33Å; V341-I360 HydrophobicContact CG2-CD1 4.45Å; V342-I360 PolarHBondContact N-O 3.24Å; I360-F365 HydrophobicContact CG2-CE2 3.55Å; I360-F365 HydrophobicContact CG2-CZ 4.09Å; I360-L371 HydrophobicContact CG2-CD1 3.7Å; I360-Y374 HydrophobicContact CD1-CD1 4.35Å; I360-Y374 HydrophobicContact CD1-CE1 4.02Å; I360-Y374 HydrophobicContact CG1-CE1 4.37Å; I360-L375 HydrophobicContact CD1-CD2 3.73Å; I360-L378 HydrophobicContact CD1-CD1 3.74Å; I360-Y388 HydrophobicContact CD1-CE1 4.38Å; I360-Y388 HydrophobicContact CD1-CE2 4.46Å; I360-Y388 HydrophobicContact CG1-CD1 4.48Å; I360-Y388 HydrophobicContact CG1-CE1 3.63Å
361H98.9Very high98.2Very high2 Ų249 Ų491%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-89.9140176.5-157.7-87.1000109.7V342 P345 R347 Y350 F359 D363 D364 F365V342-H361 HydrophobicContact CG2-CB 4.29Å; V342-H361 VanDerWaalsContact CG2-CD2 3.44Å; V342-H361 WeakPolarHBondContact CG2-CD2 3.39Å; P345-H361 PolarHBondContact O-NE2 3.23Å; P345-H361 VanDerWaalsContact O-NE2 3.13Å; R347-H361 HydrophobicContact CB-CB 4.31Å; R347-H361 HydrophobicContact CG-CB 4.39Å; Y350-H361 AromaticContact CD2-CD2 3.85Å; Y350-H361 AromaticContact CD2-NE2 3.99Å; Y350-H361 AromaticContact CE2-NE2 3.99Å; F359-H361 HydrophobicContact CD2-CB 4.42Å; F359-H361 HydrophobicContact CE2-CB 4.04Å; H361-D363 IonicContact CE1-OD2 3.62Å; H361-D363 PolarHBondContact CE1-OD2 3.3Å; H361-D363 WeakPolarHBondContact ND1-CB 3.39Å; H361-D363 PolarHBondContact ND1-N 3.22Å; H361-D363 VanDerWaalsContact ND1-N 3.17Å; H361-D363 IonicContact ND1-OD2 2.64Å; H361-D363 PolarHBondContact O-N 3.17Å; H361-D364 WeakPolarHBondContact CB-OD2 3.32Å; H361-D364 PolarHBondContact N-OD2 2.83Å; H361-D364 WeakPolarHBondContact O-CB 3.46Å; H361-D364 PolarHBondContact O-N 3.33Å; H361-F365 WeakPolarHBondContact O-CD2 3.38Å
362V98.7Very high98.2Very high4 Ų445.5 Ų45.52%0.02425%0.246CC..G310 helixtrans-60-38.1177.2-71.10000112.3Y276 F316 V341 V342 L343 D364 F365 L371Y276-V362 HydrophobicContact CD1-CG1 4.02Å; Y276-V362 HydrophobicContact CE1-CB 4.05Å; Y276-V362 HydrophobicContact CE1-CG1 3.44Å; Y276-V362 VanDerWaalsContact CE1-CG1 3.44Å; Y276-V362 HydrophobicContact CE2-CB 3.98Å; Y276-V362 HydrophobicContact CE2-CG1 4.25Å; F316-V362 HydrophobicContact CE1-CG1 3.88Å; F316-V362 HydrophobicContact CZ-CG1 4Å; V341-V362 HydrophobicContact CG1-CG1 4.25Å; V342-V362 WeakPolarHBondContact O-CG1 3.46Å; V342-V362 PolarHBondContact O-N 3.36Å; L343-V362 HydrophobicContact CB-CG1 4.22Å; L343-V362 HydrophobicContact CB-CG2 3.98Å; L343-V362 HydrophobicContact CD1-CG1 4.45Å; L343-V362 HydrophobicContact CD1-CG2 4.05Å; L343-V362 HydrophobicContact CG-CG2 4.04Å; V362-D364 PolarHBondContact O-N 3.48Å; V362-F365 PolarHBondContact O-N 3.44Å; V362-L371 HydrophobicContact CG1-CD2 4.11Å
363D97.6Very high98.3Very high121 Ų12141.4 Ų41.465%0.64724%0.243SC*.G310 helixtrans-76.5-0.6-178.6-56.7-27.3000114.2H361 F365H361-D363 IonicContact CE1-OD2 3.62Å; H361-D363 PolarHBondContact CE1-OD2 3.3Å; H361-D363 WeakPolarHBondContact ND1-CB 3.39Å; H361-D363 PolarHBondContact ND1-N 3.22Å; H361-D363 VanDerWaalsContact ND1-N 3.17Å; H361-D363 IonicContact ND1-OD2 2.64Å; H361-D363 PolarHBondContact O-N 3.17Å; D363-F365 PolarHBondContact O-N 2.81Å
364D98.3Very high98.3Very high66 Ų6642.5 Ų42.535%0.35325%0.247SC..G310 helixtrans-69-12.5167.7-60.7-32.9000112R347 H361 V362R347-D364 WeakPolarHBondContact CD-OD1 2.94Å; R347-D364 IonicContact CZ-OD1 3.89Å; R347-D364 IonicContact CZ-OD2 2.8Å; R347-D364 IonicContact NE-OD1 2.88Å; R347-D364 IonicContact NH1-OD1 3.97Å; R347-D364 PolarHBondContact NH1-OD1 2.86Å; R347-D364 IonicContact NH1-OD2 2.78Å; R347-D364 PolarHBondContact NH1-OD2 2.87Å; H361-D364 WeakPolarHBondContact CB-OD2 3.32Å; H361-D364 PolarHBondContact N-OD2 2.83Å; H361-D364 WeakPolarHBondContact O-CB 3.46Å; H361-D364 PolarHBondContact O-N 3.33Å; V362-D364 PolarHBondContact O-N 3.48Å
365F98.6Very high98.4Very high39 Ų3942.3 Ų42.317%0.17125%0.245CC..SBendtrans-120.7138.7-170.8-59.7-84.1000110.5I360 H361 V362 D363 S367 L371 Y374I360-F365 HydrophobicContact CG2-CE2 3.55Å; I360-F365 HydrophobicContact CG2-CZ 4.09Å; H361-F365 WeakPolarHBondContact O-CD2 3.38Å; V362-F365 PolarHBondContact O-N 3.44Å; D363-F365 PolarHBondContact O-N 2.81Å; F365-S367 PolarHBondContact O-N 3.04Å; F365-L371 HydrophobicContact CB-CB 4.1Å; F365-L371 HydrophobicContact CD1-CB 4.33Å; F365-L371 HydrophobicContact CD2-CB 3.85Å; F365-L371 HydrophobicContact CD2-CD1 3.67Å; F365-L371 HydrophobicContact CD2-CG 4.27Å; F365-L371 HydrophobicContact CE2-CB 4.45Å; F365-L371 HydrophobicContact CE2-CD1 3.49Å; F365-L371 VanDerWaalsContact CE2-CD1 3.49Å; F365-L371 HydrophobicContact CG-CB 3.8Å; F365-L371 HydrophobicContact CG-CD1 4.38Å; F365-L371 HydrophobicContact CZ-CD1 4.05Å; F365-Y374 VanDerWaalsContact CE1-CB 3.42Å; F365-Y374 AromaticContact CE1-CD1 3.79Å; F365-Y374 HydrophobicContact CE1-CD1 3.79Å; F365-Y374 HydrophobicContact CE1-CD2 4.34Å; F365-Y374 AromaticContact CE1-CG 3.6Å; F365-Y374 HydrophobicContact CE1-CG 3.6Å; F365-Y374 HydrophobicContact CE2-CD1 4.35Å; F365-Y374 AromaticContact CZ-CD1 3.3Å; F365-Y374 HydrophobicContact CZ-CD1 3.3Å; F365-Y374 AromaticContact CZ-CE1 3.93Å; F365-Y374 HydrophobicContact CZ-CE1 3.93Å; F365-Y374 AromaticContact CZ-CG 3.65Å; F365-Y374 HydrophobicContact CZ-CG 3.65Å
366P98.1Very high98.4Very high129 Ų12943 Ų4384%0.83825%0.246SC*.SBendtrans-67.2-16.7177.127.5-35.5000113.1S370P366-S370 VanDerWaalsContact CD-OG 3.3Å; P366-S370 WeakPolarHBondContact CD-OG 3.44Å; P366-S370 WeakPolarHBondContact CG-OG 3.27Å
367S98.6Very high98.5Very high53 Ų5338.5 Ų38.537%0.37123%0.232SC..SBendtrans-158.4161.8178.268.50000113.1F365 A369 S370 L371F365-S367 PolarHBondContact O-N 3.04Å; S367-A369 PolarHBondContact O-N 2.83Å; S367-A369 PolarHBondContact OG-N 3Å; S367-S370 PolarHBondContact N-OG 3.42Å; S367-S370 PolarHBondContact O-N 3.46Å; S367-S370 VanDerWaalsContact O-N 3.15Å; S367-S370 PolarHBondContact O-OG 3.06Å; S367-S370 PolarHBondContact OG-N 3.14Å; S367-S370 VanDerWaalsContact OG-N 3.14Å; S367-S370 PolarHBondContact OG-OG 3.16Å; S367-L371 PolarHBondContact O-N 2.78Å
368A98.7Very high98.6Very high4 Ų436.6 Ų36.63%0.03321%0.213CC..Hα-helixtrans-60.3-29.517100000112.9Y276 Q279 L280 L371 A372Y276-A368 HydrophobicContact CE1-CB 4.42Å; Y276-A368 HydrophobicContact CE2-CB 4.48Å; Q279-A368 HydrophobicContact CB-CB 3.7Å; L280-A368 HydrophobicContact CB-CB 4.28Å; L280-A368 HydrophobicContact CD1-CB 4.47Å; L280-A368 WeakPolarHBondContact CD1-O 3.48Å; A368-L371 PolarHBondContact O-N 3.05Å; A368-A372 WeakPolarHBondContact O-CB 3.05Å; A368-A372 PolarHBondContact O-N 2.91Å
369A98.8Very high98.5Very high35 Ų3539.2 Ų39.229%0.28923%0.226SC..Hα-helixtrans-66-43.9174.300000111.8S367 A372 A373S367-A369 PolarHBondContact O-N 2.83Å; S367-A369 PolarHBondContact OG-N 3Å; A369-A372 WeakPolarHBondContact O-CB 3.18Å; A369-A372 PolarHBondContact O-N 3.14Å; A369-A373 PolarHBondContact O-N 2.9Å
370S98.8Very high98.4Very high33 Ų3348.6 Ų48.623%0.23126%0.262CS..Hα-helixtrans-66.9-37175.444.70000112.7P366 S367 A373 Y374P366-S370 VanDerWaalsContact CD-OG 3.3Å; P366-S370 WeakPolarHBondContact CD-OG 3.44Å; P366-S370 WeakPolarHBondContact CG-OG 3.27Å; S367-S370 PolarHBondContact N-OG 3.42Å; S367-S370 PolarHBondContact O-N 3.46Å; S367-S370 VanDerWaalsContact O-N 3.15Å; S367-S370 PolarHBondContact O-OG 3.06Å; S367-S370 PolarHBondContact OG-N 3.14Å; S367-S370 VanDerWaalsContact OG-N 3.14Å; S367-S370 PolarHBondContact OG-OG 3.16Å; S370-A373 PolarHBondContact O-N 3.05Å; S370-Y374 PolarHBondContact O-N 3.07Å
371L98.9Very high98.4Very high0 Ų051.7 Ų51.70%028%0.278CS..Hα-helixtrans-61.5-48.5170.8171.461.9000110.8Y276 L280 V341 I360 V362 F365 S367 A368 A373 Y374 L375Y276-L371 HydrophobicContact CE1-CD2 3.73Å; Y276-L371 VanDerWaalsContact OH-CD2 3.27Å; Y276-L371 WeakPolarHBondContact OH-CD2 3.2Å; L280-L371 HydrophobicContact CD1-CD2 4.11Å; L280-L371 HydrophobicContact CD1-CG 4.23Å; L280-L371 HydrophobicContact CD2-CD2 4.49Å; V341-L371 HydrophobicContact CG1-CD1 4.3Å; V341-L371 HydrophobicContact CG1-CD2 3.95Å; I360-L371 HydrophobicContact CG2-CD1 3.7Å; V362-L371 HydrophobicContact CG1-CD2 4.11Å; F365-L371 HydrophobicContact CB-CB 4.1Å; F365-L371 HydrophobicContact CD1-CB 4.33Å; F365-L371 HydrophobicContact CD2-CB 3.85Å; F365-L371 HydrophobicContact CD2-CD1 3.67Å; F365-L371 HydrophobicContact CD2-CG 4.27Å; F365-L371 HydrophobicContact CE2-CB 4.45Å; F365-L371 HydrophobicContact CE2-CD1 3.49Å; F365-L371 VanDerWaalsContact CE2-CD1 3.49Å; F365-L371 HydrophobicContact CG-CB 3.8Å; F365-L371 HydrophobicContact CG-CD1 4.38Å; F365-L371 HydrophobicContact CZ-CD1 4.05Å; S367-L371 PolarHBondContact O-N 2.78Å; A368-L371 PolarHBondContact O-N 3.05Å; L371-A373 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 3.4Å; L371-Y374 WeakPolarHBondContact O-CB 3.02Å; L371-Y374 PolarHBondContact O-N 2.79Å; L371-Y374 VanDerWaalsContact O-N 3.08Å; L371-L375 HydrophobicContact CD1-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CD2 4.17Å; L371-L375 HydrophobicContact CD1-CG 4.13Å; L371-L375 HydrophobicContact CG-CD1 4.47Å; L371-L375 HydrophobicContact CG-CG 4.45Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 2.87Å
372A98.9Very high98.1Very high2 Ų254.5 Ų54.52%0.01730%0.296CS..Hα-helixtrans-56.8-45177.200000112.3L280 H283 V284 A368 A369 Y374 L375 L376L280-A372 HydrophobicContact CD1-CB 3.98Å; H283-A372 HydrophobicContact CB-CB 3.43Å; H283-A372 VanDerWaalsContact CB-CB 3.43Å; V284-A372 HydrophobicContact CB-CB 3.9Å; V284-A372 HydrophobicContact CG1-CB 3.83Å; A368-A372 WeakPolarHBondContact O-CB 3.05Å; A368-A372 PolarHBondContact O-N 2.91Å; A369-A372 WeakPolarHBondContact O-CB 3.18Å; A369-A372 PolarHBondContact O-N 3.14Å; A372-Y374 VanDerWaalsContact C-N 3.3Å; A372-Y374 PolarHBondContact O-N 3.24Å; A372-L375 PolarHBondContact O-N 3.06Å; A372-L376 WeakPolarHBondContact O-CG 3Å; A372-L376 PolarHBondContact O-N 2.86Å
373A98.9Very high97.9Very high59 Ų5957.8 Ų57.849%0.48832%0.323SS..Hα-helixtrans-59.4-40.9175.200000111.8A369 S370 L371 L376 F377A369-A373 PolarHBondContact O-N 2.9Å; S370-A373 PolarHBondContact O-N 3.05Å; L371-A373 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 3.4Å; A373-L376 PolarHBondContact O-N 3.47Å; A373-F377 WeakPolarHBondContact O-CB 3.36Å; A373-F377 PolarHBondContact O-N 3.03Å
374Y98.9Very high97.9Very high65 Ų6553.8 Ų53.826%0.25530%0.303SS..Hα-helixtrans-66.5-40.4175.9-175.4-112.5000113I360 F365 S370 L371 A372 L376 F377 L378 Y388I360-Y374 HydrophobicContact CD1-CD1 4.35Å; I360-Y374 HydrophobicContact CD1-CE1 4.02Å; I360-Y374 HydrophobicContact CG1-CE1 4.37Å; F365-Y374 VanDerWaalsContact CE1-CB 3.42Å; F365-Y374 AromaticContact CE1-CD1 3.79Å; F365-Y374 HydrophobicContact CE1-CD1 3.79Å; F365-Y374 HydrophobicContact CE1-CD2 4.34Å; F365-Y374 AromaticContact CE1-CG 3.6Å; F365-Y374 HydrophobicContact CE1-CG 3.6Å; F365-Y374 HydrophobicContact CE2-CD1 4.35Å; F365-Y374 AromaticContact CZ-CD1 3.3Å; F365-Y374 HydrophobicContact CZ-CD1 3.3Å; F365-Y374 AromaticContact CZ-CE1 3.93Å; F365-Y374 HydrophobicContact CZ-CE1 3.93Å; F365-Y374 AromaticContact CZ-CG 3.65Å; F365-Y374 HydrophobicContact CZ-CG 3.65Å; S370-Y374 PolarHBondContact O-N 3.07Å; L371-Y374 WeakPolarHBondContact O-CB 3.02Å; L371-Y374 PolarHBondContact O-N 2.79Å; L371-Y374 VanDerWaalsContact O-N 3.08Å; A372-Y374 VanDerWaalsContact C-N 3.3Å; A372-Y374 PolarHBondContact O-N 3.24Å; Y374-L376 VanDerWaalsContact C-N 3.34Å; Y374-L376 PolarHBondContact O-N 2.79Å; Y374-F377 HydrophobicContact CD2-CD1 4.16Å; Y374-F377 HydrophobicContact CE2-CD1 4.14Å; Y374-F377 WeakPolarHBondContact O-CB 3.37Å; Y374-F377 PolarHBondContact O-N 2.68Å; Y374-L378 HydrophobicContact CD1-CD1 3.97Å; Y374-L378 HydrophobicContact CD1-CG 4.39Å; Y374-L378 HydrophobicContact CE1-CD1 3.5Å; Y374-L378 HydrophobicContact CE1-CG 4.05Å; Y374-L378 HydrophobicContact CE2-CD2 4.34Å; Y374-L378 HydrophobicContact CE2-CG 4.29Å; Y374-L378 WeakPolarHBondContact O-CG 3.27Å; Y374-L378 PolarHBondContact O-N 3.14Å; Y374-Y388 WeakPolarHBondContact CE1-OH 3.26Å; Y374-Y388 PolarHBondContact OH-OH 3.24Å
375L98.8Very high97.8Very high0 Ų050.8 Ų50.80%029%0.287CS..Hα-helixtrans-62.3-41.5174.7-61.7-175000111.6V260 F312 V341 I360 L371 A372 L378 D379V260-L375 HydrophobicContact CG2-CD1 3.89Å; F312-L375 HydrophobicContact CD1-CD2 3.73Å; F312-L375 HydrophobicContact CD2-CB 4.3Å; F312-L375 HydrophobicContact CD2-CD2 4.08Å; F312-L375 HydrophobicContact CE1-CD2 3.76Å; F312-L375 HydrophobicContact CE2-CB 4.09Å; F312-L375 HydrophobicContact CE2-CD2 4.1Å; F312-L375 HydrophobicContact CG-CD2 3.91Å; F312-L375 HydrophobicContact CZ-CD2 3.96Å; V341-L375 HydrophobicContact CG2-CD1 4.38Å; V341-L375 HydrophobicContact CG2-CD2 3.99Å; I360-L375 HydrophobicContact CD1-CD2 3.73Å; L371-L375 HydrophobicContact CD1-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CD2 4.17Å; L371-L375 HydrophobicContact CD1-CG 4.13Å; L371-L375 HydrophobicContact CG-CD1 4.47Å; L371-L375 HydrophobicContact CG-CG 4.45Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 2.87Å; A372-L375 PolarHBondContact O-N 3.06Å; L375-L378 PolarHBondContact O-N 3.15Å; L375-D379 WeakPolarHBondContact O-CB 3.33Å; L375-D379 PolarHBondContact O-N 2.81Å
376L98.7Very high97.6Very high61 Ų6155.6 Ų55.632%0.31930%0.304SS..Hα-helixtrans-67.5-36.2174.8-68.9168.8000112.3L259 V284 A372 A373 Y374 D379 R380L259-L376 HydrophobicContact CD2-CD2 3.76Å; V284-L376 HydrophobicContact CG2-CD2 4.44Å; A372-L376 WeakPolarHBondContact O-CG 3Å; A372-L376 PolarHBondContact O-N 2.86Å; A373-L376 PolarHBondContact O-N 3.47Å; Y374-L376 VanDerWaalsContact C-N 3.34Å; Y374-L376 PolarHBondContact O-N 2.79Å; L376-D379 WeakPolarHBondContact O-CB 3.27Å; L376-D379 PolarHBondContact O-N 2.85Å; L376-R380 WeakPolarHBondContact O-CG 3.24Å; L376-R380 PolarHBondContact O-N 2.76Å
377F98.6Very high97.5Very high93 Ų9357 Ų5741%0.40829%0.292SS..Hα-helixtrans-61.4-49.1172166.9-97.9000111A373 Y374 D379 R380 N381 V384A373-F377 WeakPolarHBondContact O-CB 3.36Å; A373-F377 PolarHBondContact O-N 3.03Å; Y374-F377 HydrophobicContact CD2-CD1 4.16Å; Y374-F377 HydrophobicContact CE2-CD1 4.14Å; Y374-F377 WeakPolarHBondContact O-CB 3.37Å; Y374-F377 PolarHBondContact O-N 2.68Å; F377-D379 VanDerWaalsContact C-N 3.28Å; F377-D379 PolarHBondContact O-N 2.99Å; F377-R380 PolarHBondContact O-N 3.05Å; F377-N381 VanDerWaalsContact CD2-ND2 3.26Å; F377-N381 WeakPolarHBondContact CD2-ND2 3.44Å; F377-N381 HydrophobicContact CE1-CB 4.44Å; F377-N381 HydrophobicContact CE2-CB 4.38Å; F377-N381 WeakPolarHBondContact CE2-ND2 3.38Å; F377-N381 HydrophobicContact CZ-CB 4.2Å; F377-N381 WeakPolarHBondContact O-CB 3.23Å; F377-N381 PolarHBondContact O-N 3.35Å; F377-N381 PolarHBondContact O-ND2 3.19Å; F377-V384 HydrophobicContact CE1-CG1 4.29Å; F377-V384 HydrophobicContact CE1-CG2 4.41Å; F377-V384 HydrophobicContact CZ-CG2 4.41Å
378L98Very high97.4Very high0 Ų055.9 Ų55.90%028%0.28CS..Hα-helixtrans-63.4-33.9176.9-70.6180000112.6F312 I360 Y374 L375 R380 N381 V384 Y388F312-L378 HydrophobicContact CE1-CD1 3.8Å; F312-L378 HydrophobicContact CZ-CB 3.71Å; F312-L378 HydrophobicContact CZ-CD1 3.77Å; F312-L378 HydrophobicContact CZ-CG 4.42Å; I360-L378 HydrophobicContact CD1-CD1 3.74Å; Y374-L378 HydrophobicContact CD1-CD1 3.97Å; Y374-L378 HydrophobicContact CD1-CG 4.39Å; Y374-L378 HydrophobicContact CE1-CD1 3.5Å; Y374-L378 HydrophobicContact CE1-CG 4.05Å; Y374-L378 HydrophobicContact CE2-CD2 4.34Å; Y374-L378 HydrophobicContact CE2-CG 4.29Å; Y374-L378 WeakPolarHBondContact O-CG 3.27Å; Y374-L378 PolarHBondContact O-N 3.14Å; L375-L378 PolarHBondContact O-N 3.15Å; L378-R380 VanDerWaalsContact C-N 3.3Å; L378-R380 PolarHBondContact O-N 3.34Å; L378-N381 CarbonylContact O-C 3.58Å; L378-N381 PolarHBondContact O-N 2.85Å; L378-V384 HydrophobicContact CD2-CB 4.02Å; L378-V384 HydrophobicContact CD2-CG1 3.57Å; L378-Y388 HydrophobicContact CD1-CD2 4.38Å; L378-Y388 HydrophobicContact CD1-CE2 3.65Å; L378-Y388 HydrophobicContact CD2-CE2 4.05Å
379D96.3Very high97.1Very high55 Ų5556.7 Ų56.729%0.29428%0.283SS..Hα-helixtrans-57.9-44.2175.2-174.554.8000111.8L259 K311 L375 L376 F377L259-D379 HydrophobicContact CD1-CB 3.7Å; K311-D379 VanDerWaalsContact CD-OD1 3.26Å; K311-D379 WeakPolarHBondContact CD-OD1 3.36Å; K311-D379 VanDerWaalsContact CE-OD1 3.26Å; K311-D379 WeakPolarHBondContact CE-OD1 3.37Å; K311-D379 PolarHBondContact NZ-O 3.46Å; K311-D379 IonicContact NZ-OD1 3.23Å; K311-D379 PolarHBondContact NZ-OD1 3.27Å; L375-D379 WeakPolarHBondContact O-CB 3.33Å; L375-D379 PolarHBondContact O-N 2.81Å; L376-D379 WeakPolarHBondContact O-CB 3.27Å; L376-D379 PolarHBondContact O-N 2.85Å; F377-D379 VanDerWaalsContact C-N 3.28Å; F377-D379 PolarHBondContact O-N 2.99Å
380R96.9Very high96.9Very high199 Ų19959.2 Ų59.275%0.75129%0.289SS*.Hα-helixtrans-79.8-23.2178.6-63.6175.4-175.7176.11.1113.4L376 F377 L378L376-R380 WeakPolarHBondContact O-CG 3.24Å; L376-R380 PolarHBondContact O-N 2.76Å; F377-R380 PolarHBondContact O-N 3.05Å; L378-R380 VanDerWaalsContact C-N 3.3Å; L378-R380 PolarHBondContact O-N 3.34Å
381N97.5Very high96.6Very high65 Ų6558.5 Ų58.535%0.34828%0.281SS..  trans-112.474.7-174.4-68.8-84.8000111.9F377 L378 A383 V384 Y385F377-N381 VanDerWaalsContact CD2-ND2 3.26Å; F377-N381 WeakPolarHBondContact CD2-ND2 3.44Å; F377-N381 HydrophobicContact CE1-CB 4.44Å; F377-N381 HydrophobicContact CE2-CB 4.38Å; F377-N381 WeakPolarHBondContact CE2-ND2 3.38Å; F377-N381 HydrophobicContact CZ-CB 4.2Å; F377-N381 WeakPolarHBondContact O-CB 3.23Å; F377-N381 PolarHBondContact O-N 3.35Å; F377-N381 PolarHBondContact O-ND2 3.19Å; L378-N381 CarbonylContact O-C 3.58Å; L378-N381 PolarHBondContact O-N 2.85Å; N381-A383 PolarHBondContact O-N 3.2Å; N381-A383 VanDerWaalsContact O-N 3.14Å; N381-V384 HydrophobicContact CB-CB 4.35Å; N381-V384 HydrophobicContact CB-CG2 4.14Å; N381-V384 PolarHBondContact O-N 3.41Å; N381-Y385 PolarHBondContact O-N 3.05Å
382V92.9Very high96.1Very high62 Ų6259.8 Ų59.838%0.37629%0.286SS..Hα-helixtrans-55.7-35.8-174.8179.30000113L253 V384 Y385 R386L253-V382 HydrophobicContact CD1-CG1 4.46Å; V382-V384 VanDerWaalsContact C-N 3.33Å; V382-V384 PolarHBondContact O-N 3.08Å; V382-Y385 PolarHBondContact O-N 2.91Å; V382-R386 HydrophobicContact CG1-CG 4.26Å; V382-R386 WeakPolarHBondContact O-CB 3.42Å; V382-R386 VanDerWaalsContact O-CG 3.27Å; V382-R386 WeakPolarHBondContact O-CG 3.26Å; V382-R386 PolarHBondContact O-N 2.92Å
383A95.1Very high95.5Very high73 Ų7367.6 Ų67.660%0.60332%0.315SS*.Hα-helixtrans-63.3-38.4178.500000112.5N381N381-A383 PolarHBondContact O-N 3.2Å; N381-A383 VanDerWaalsContact O-N 3.14Å
384V96.9Very high95Very high37 Ų3768 Ų6822%0.22431%0.314CS..Hα-helixtrans-73.7-45.9176.5-1740000109.9F377 L378 N381 V382 R386 R387F377-V384 HydrophobicContact CE1-CG1 4.29Å; F377-V384 HydrophobicContact CE1-CG2 4.41Å; F377-V384 HydrophobicContact CZ-CG2 4.41Å; L378-V384 HydrophobicContact CD2-CB 4.02Å; L378-V384 HydrophobicContact CD2-CG1 3.57Å; N381-V384 HydrophobicContact CB-CB 4.35Å; N381-V384 HydrophobicContact CB-CG2 4.14Å; N381-V384 PolarHBondContact O-N 3.41Å; V382-V384 VanDerWaalsContact C-N 3.33Å; V382-V384 PolarHBondContact O-N 3.08Å; V384-R386 VanDerWaalsContact C-N 3.27Å; V384-R386 PolarHBondContact O-N 3Å; V384-R387 VanDerWaalsContact O-CB 3.25Å; V384-R387 WeakPolarHBondContact O-CB 3.46Å; V384-R387 PolarHBondContact O-N 3.3Å
385Y96.7Very high94.6Very high2 Ų269.2 Ų69.21%0.00832%0.319CS..Hα-helixtrans-54.8-40.8175.8172.5-99.9000112.7L253 K311 F312 V339 N381 V382 R387 Y388 F389L253-Y385 HydrophobicContact CD2-CD1 4.07Å; L253-Y385 HydrophobicContact CD2-CE1 3.45Å; L253-Y385 VanDerWaalsContact CD2-CE1 3.45Å; K311-Y385 WeakPolarHBondContact CA-OH 3.43Å; K311-Y385 HydrophobicContact CB-CE2 3.88Å; K311-Y385 HydrophobicContact CD-CE2 4.5Å; K311-Y385 HydrophobicContact CG-CE2 4.29Å; K311-Y385 PolarHBondContact O-OH 2.9Å; F312-Y385 HydrophobicContact CE1-CD2 4.06Å; F312-Y385 AromaticContact CE1-CE2 3.95Å; F312-Y385 HydrophobicContact CE1-CE2 3.95Å; F312-Y385 AromaticContact CZ-CD2 3.86Å; F312-Y385 HydrophobicContact CZ-CD2 3.86Å; F312-Y385 AromaticContact CZ-CE2 3.96Å; F312-Y385 HydrophobicContact CZ-CE2 3.96Å; V339-Y385 HydrophobicContact CB-CE2 4.27Å; V339-Y385 HydrophobicContact CG2-CD2 4.11Å; V339-Y385 HydrophobicContact CG2-CE2 3.44Å; V339-Y385 VanDerWaalsContact CG2-CE2 3.44Å; N381-Y385 PolarHBondContact O-N 3.05Å; V382-Y385 PolarHBondContact O-N 2.91Å; Y385-R387 PolarHBondContact O-N 3.49Å; Y385-R387 VanDerWaalsContact O-N 3.17Å; Y385-Y388 PolarHBondContact O-N 3.4Å; Y385-F389 HydrophobicContact CD1-CE2 4.25Å; Y385-F389 AromaticContact CE1-CE2 3.57Å; Y385-F389 HydrophobicContact CE1-CE2 3.57Å; Y385-F389 HydrophobicContact CE1-CZ 4.28Å; Y385-F389 HydrophobicContact CE2-CE2 4.3Å; Y385-F389 AromaticContact CZ-CE2 3.59Å; Y385-F389 AromaticContact CZ-CZ 3.91Å; Y385-F389 WeakPolarHBondContact OH-CZ 3.32Å
386R94.3Very high94.2Very high140 Ų14069.3 Ų69.353%0.52832%0.32SS..Hα-helixtrans-59.9-25.5177.3-80.2175178.9179.32.1113.7L253 V382 V384 Y388 F389L253-R386 HydrophobicContact CD1-CG 3.92Å; V382-R386 HydrophobicContact CG1-CG 4.26Å; V382-R386 WeakPolarHBondContact O-CB 3.42Å; V382-R386 VanDerWaalsContact O-CG 3.27Å; V382-R386 WeakPolarHBondContact O-CG 3.26Å; V382-R386 PolarHBondContact O-N 2.92Å; V384-R386 VanDerWaalsContact C-N 3.27Å; V384-R386 PolarHBondContact O-N 3Å; R386-Y388 PolarHBondContact O-N 2.9Å; R386-F389 PolarHBondContact O-N 3.38Å; R386-F389 VanDerWaalsContact O-N 3.13Å
387R95.6Very high93.8Very high158 Ų15866.5 Ų66.560%0.59631%0.305SS*.Hα-helixtrans-62.1-29.4179.3-60.9179.4-179-176.3-1.5112.1V384 Y385 F389 H390V384-R387 VanDerWaalsContact O-CB 3.25Å; V384-R387 WeakPolarHBondContact O-CB 3.46Å; V384-R387 PolarHBondContact O-N 3.3Å; Y385-R387 PolarHBondContact O-N 3.49Å; Y385-R387 VanDerWaalsContact O-N 3.17Å; R387-F389 PolarHBondContact O-N 3.43Å; R387-H390 WeakPolarHBondContact O-CB 3.33Å; R387-H390 PolarHBondContact O-N 2.99Å
388Y96.8Very high93.5Very high30 Ų3064.6 Ų64.612%0.11830%0.297CS..THydrogen-bonded Turntrans-63.6-12.5177-76-80.9000114.9V339 G357 F359 I360 Y374 L378 Y385 R386 W391V339-Y388 HydrophobicContact CG1-CD1 3.72Å; V339-Y388 HydrophobicContact CG1-CD2 4.36Å; V339-Y388 HydrophobicContact CG1-CE1 4.28Å; V339-Y388 HydrophobicContact CG1-CG 3.76Å; V339-Y388 HydrophobicContact CG2-CG 4.07Å; G357-Y388 VanDerWaalsContact O-CA 3.3Å; G357-Y388 WeakPolarHBondContact O-CA 3.48Å; G357-Y388 VanDerWaalsContact O-CD1 3.27Å; G357-Y388 WeakPolarHBondContact O-CD1 3.47Å; F359-Y388 WeakPolarHBondContact O-CE1 3.36Å; I360-Y388 HydrophobicContact CD1-CE1 4.38Å; I360-Y388 HydrophobicContact CD1-CE2 4.46Å; I360-Y388 HydrophobicContact CG1-CD1 4.48Å; I360-Y388 HydrophobicContact CG1-CE1 3.63Å; Y374-Y388 WeakPolarHBondContact CE1-OH 3.26Å; Y374-Y388 PolarHBondContact OH-OH 3.24Å; L378-Y388 HydrophobicContact CD1-CD2 4.38Å; L378-Y388 HydrophobicContact CD1-CE2 3.65Å; L378-Y388 HydrophobicContact CD2-CE2 4.05Å; Y385-Y388 PolarHBondContact O-N 3.4Å; R386-Y388 PolarHBondContact O-N 2.9Å; Y388-W391 PolarHBondContact O-NE1 3.24Å
389F93.8Very high93.4Very high22 Ų2267 Ų6710%0.09631%0.309CS..THydrogen-bonded Turntrans-105.93.2177.4-57.7-75.1000113.3P251 V339 Y385 R386 R387 W391 R392P251-F389 HydrophobicContact CB-CD1 3.88Å; P251-F389 HydrophobicContact CB-CD2 4.21Å; P251-F389 HydrophobicContact CB-CE1 3.8Å; P251-F389 HydrophobicContact CB-CE2 4.14Å; P251-F389 HydrophobicContact CB-CG 4.08Å; P251-F389 HydrophobicContact CB-CZ 3.92Å; P251-F389 HydrophobicContact CG-CB 4.29Å; P251-F389 HydrophobicContact CG-CD1 3.97Å; P251-F389 HydrophobicContact CG-CD2 4.33Å; P251-F389 HydrophobicContact CG-CE1 4.4Å; P251-F389 HydrophobicContact CG-CG 3.91Å; V339-F389 HydrophobicContact CG2-CE1 4.21Å; V339-F389 HydrophobicContact CG2-CE2 3.75Å; V339-F389 HydrophobicContact CG2-CZ 3.48Å; V339-F389 VanDerWaalsContact CG2-CZ 3.48Å; Y385-F389 HydrophobicContact CD1-CE2 4.25Å; Y385-F389 AromaticContact CE1-CE2 3.57Å; Y385-F389 HydrophobicContact CE1-CE2 3.57Å; Y385-F389 HydrophobicContact CE1-CZ 4.28Å; Y385-F389 HydrophobicContact CE2-CE2 4.3Å; Y385-F389 AromaticContact CZ-CE2 3.59Å; Y385-F389 AromaticContact CZ-CZ 3.91Å; Y385-F389 WeakPolarHBondContact OH-CZ 3.32Å; R386-F389 PolarHBondContact O-N 3.38Å; R386-F389 VanDerWaalsContact O-N 3.13Å; R387-F389 PolarHBondContact O-N 3.43Å; F389-W391 PolarHBondContact O-N 3.47Å; F389-R392 WeakPolarHBondContact O-CB 3.13Å; F389-R392 PolarHBondContact O-N 2.64Å; F389-R392 VanDerWaalsContact O-N 3.09Å
390H92.6Very high93.3Very high87 Ų8764.7 Ų64.740%0.40330%0.297SS..G310 helixtrans-59.6-33.7-177.5-78-168.3000113.3R387 R392 R393R387-H390 WeakPolarHBondContact O-CB 3.33Å; R387-H390 PolarHBondContact O-N 2.99Å; H390-R392 PolarHBondContact O-N 2.83Å; H390-R393 PolarHBondContact CD2-NH2 3.23Å; H390-R393 PolarHBondContact CE1-NH2 3.44Å; H390-R393 PolarHBondContact NE2-NH2 3.39Å; H390-R393 WeakPolarHBondContact O-CB 3.48Å; H390-R393 VanDerWaalsContact O-CG 3.28Å; H390-R393 WeakPolarHBondContact O-CG 3.4Å; H390-R393 PolarHBondContact O-N 2.86Å; H390-R393 VanDerWaalsContact O-N 3.1Å
391W92.6Very high93.2Very high19 Ų1957 Ų577%0.07227%0.274CS..G310 helixtrans-58.5-27.8177.764.2-92.1000113.1L236 F334 P355 Y388 F389 R393 S394 Y395 V397L236-W391 HydrophobicContact CD1-CE3 4.3Å; L236-W391 HydrophobicContact CD2-CE3 4.07Å; L236-W391 HydrophobicContact CD2-CH2 4.24Å; L236-W391 HydrophobicContact CD2-CZ3 3.57Å; F334-W391 HydrophobicContact CB-CH2 4.16Å; F334-W391 HydrophobicContact CB-CZ2 4.27Å; F334-W391 HydrophobicContact CD1-CH2 4.4Å; F334-W391 AromaticContact CD1-CZ2 3.8Å; F334-W391 HydrophobicContact CD1-CZ2 3.8Å; F334-W391 AromaticContact CD2-CH2 3.95Å; F334-W391 HydrophobicContact CD2-CH2 3.95Å; F334-W391 HydrophobicContact CD2-CZ2 4.1Å; F334-W391 HydrophobicContact CE1-CZ2 4.03Å; F334-W391 HydrophobicContact CE2-CH2 4.38Å; F334-W391 HydrophobicContact CE2-CZ2 4.33Å; F334-W391 AromaticContact CG-CH2 3.95Å; F334-W391 HydrophobicContact CG-CH2 3.95Å; F334-W391 AromaticContact CG-CZ2 3.82Å; F334-W391 HydrophobicContact CG-CZ2 3.82Å; F334-W391 HydrophobicContact CZ-CZ2 4.31Å; P355-W391 HydrophobicContact CB-CB 4.34Å; P355-W391 HydrophobicContact CG-CB 3.86Å; Y388-W391 PolarHBondContact O-NE1 3.24Å; F389-W391 PolarHBondContact O-N 3.47Å; W391-R393 PolarHBondContact O-N 3.4Å; W391-R393 VanDerWaalsContact O-N 3.13Å; W391-S394 PolarHBondContact O-N 2.98Å; W391-Y395 WeakPolarHBondContact O-CD2 3.44Å; W391-Y395 PolarHBondContact O-N 2.91Å; W391-V397 HydrophobicContact CH2-CG2 3.55Å; W391-V397 HydrophobicContact CZ3-CG2 3.82Å
392R89.2Confident92.9Very high26 Ų2657 Ų5710%0.09827%0.272CS..G310 helixtrans-67.2-11.4178.4-68.1179.4146.9-92.11.6113.9R239 F334 F389 H390 S394R239-R392 PolarHBondContact NH1-O 2.94Å; R239-R392 VanDerWaalsContact NH1-O 3.15Å; F334-R392 PolarHBondContact O-NH2 3.29Å; F389-R392 WeakPolarHBondContact O-CB 3.13Å; F389-R392 PolarHBondContact O-N 2.64Å; F389-R392 VanDerWaalsContact O-N 3.09Å; H390-R392 PolarHBondContact O-N 2.83Å; R392-S394 VanDerWaalsContact C-N 3.31Å
393R87.2Confident92.8Very high166 Ų16657.1 Ų57.163%0.62627%0.265SS*.G310 helixtrans-67-37170.9-62.7-179.1-142-111.47.9111.3H390 W391H390-R393 PolarHBondContact CD2-NH2 3.23Å; H390-R393 PolarHBondContact CE1-NH2 3.44Å; H390-R393 PolarHBondContact NE2-NH2 3.39Å; H390-R393 WeakPolarHBondContact O-CB 3.48Å; H390-R393 VanDerWaalsContact O-CG 3.28Å; H390-R393 WeakPolarHBondContact O-CG 3.4Å; H390-R393 PolarHBondContact O-N 2.86Å; H390-R393 VanDerWaalsContact O-N 3.1Å; W391-R393 PolarHBondContact O-N 3.4Å; W391-R393 VanDerWaalsContact O-N 3.13Å
394S88.1Confident92.8Very high67 Ų6754.3 Ų54.347%0.46924%0.24SC..THydrogen-bonded Turntrans-107.7-22.9-172.3-54.60000113.1P238 R239 W391 R392P238-S394 WeakPolarHBondContact CA-O 3.45Å; R239-S394 PolarHBondContact N-O 2.85Å; W391-S394 PolarHBondContact O-N 2.98Å; R392-S394 VanDerWaalsContact C-N 3.31Å
395Y90.6Very high92.7Very high92 Ų9253.2 Ų53.236%0.36123%0.232SC..EExtended strand (participates in β ladder)trans-129.1152-173-56.6-81.1000113.4L236 Y237 W391L236-Y395 HydrophobicContact CB-CD1 4.19Å; L236-Y395 HydrophobicContact CB-CG 4.32Å; L236-Y395 HydrophobicContact CD1-CG 4.4Å; Y237-Y395 VanDerWaalsContact O-CA 3.31Å; Y237-Y395 WeakPolarHBondContact O-CA 3.49Å; W391-Y395 WeakPolarHBondContact O-CD2 3.44Å; W391-Y395 PolarHBondContact O-N 2.91Å
396A89.3Confident92.7Very high2 Ų253.1 Ų53.12%0.01723%0.232CC..EExtended strand (participates in β ladder)trans-116.6161.8170.100000109.6L236 Y237 R239 P246L236-A396 VanDerWaalsContact CA-O 3.29Å; L236-A396 WeakPolarHBondContact CA-O 3.33Å; Y237-A396 HydrophobicContact CD1-CB 4.03Å; Y237-A396 HydrophobicContact CD2-CB 4.06Å; Y237-A396 HydrophobicContact CE1-CB 3.51Å; Y237-A396 HydrophobicContact CE2-CB 3.52Å; Y237-A396 HydrophobicContact CG-CB 4.29Å; Y237-A396 PolarHBondContact N-O 3.01Å; Y237-A396 PolarHBondContact O-N 2.97Å; Y237-A396 WeakPolarHBondContact OH-CB 3.38Å; R239-A396 HydrophobicContact CG-CB 3.86Å; P246-A396 HydrophobicContact CB-CB 3.31Å; P246-A396 HydrophobicContact CG-CB 4.36Å
397V91.3Very high92.8Very high2 Ų247 Ų471%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-105.2125-179.8-178.90000109.2L236 W330 F334 L335 W391 I399L236-V397 HydrophobicContact CD2-CG2 3.77Å; W330-V397 HydrophobicContact CE3-CG1 4.06Å; F334-V397 HydrophobicContact CB-CG2 3.93Å; F334-V397 HydrophobicContact CD2-CG2 3.99Å; F334-V397 HydrophobicContact CG-CG2 4.42Å; L335-V397 HydrophobicContact CD2-CB 3.84Å; L335-V397 HydrophobicContact CD2-CG1 4.01Å; W391-V397 HydrophobicContact CH2-CG2 3.55Å; W391-V397 HydrophobicContact CZ3-CG2 3.82Å; V397-I399 HydrophobicContact CG1-CD1 3.72Å; V397-I399 HydrophobicContact CG1-CG1 4.48Å
398H92.6Very high92.8Very high52 Ų5239.4 Ų39.424%0.24118%0.18CC..EExtended strand (participates in β ladder)trans-91.5137162.8-179.178.9000109.5G234 F235 Y237 E405G234-H398 CarbonylContact C-O 3.47Å; G234-H398 WeakPolarHBondContact CA-O 3.25Å; F235-H398 HydrophobicContact CD1-CB 4.13Å; F235-H398 AromaticContact CD1-CD2 3.73Å; F235-H398 HydrophobicContact CD2-CB 4.06Å; F235-H398 HydrophobicContact CE1-CB 3.85Å; F235-H398 AromaticContact CE1-CD2 3.06Å; F235-H398 WeakPolarHBondContact CE1-CD2 3.33Å; F235-H398 AromaticContact CE1-CG 3.59Å; F235-H398 AromaticContact CE1-NE2 3.83Å; F235-H398 HydrophobicContact CE2-CB 3.74Å; F235-H398 HydrophobicContact CG-CB 4.23Å; F235-H398 HydrophobicContact CZ-CB 3.62Å; F235-H398 AromaticContact CZ-CD2 3.49Å; F235-H398 VanDerWaalsContact CZ-CD2 3.49Å; F235-H398 WeakPolarHBondContact CZ-CD2 3.43Å; F235-H398 AromaticContact CZ-CG 3.53Å; F235-H398 PolarHBondContact N-O 2.88Å; F235-H398 VanDerWaalsContact N-O 3.12Å; F235-H398 PolarHBondContact O-N 2.97Å; Y237-H398 HydrophobicContact CD1-CB 4.05Å; Y237-H398 HydrophobicContact CE1-CB 4.21Å; H398-E405 IonicContact CD2-OE1 3.82Å; H398-E405 IonicContact CE1-OE1 3.57Å; H398-E405 IonicContact CE1-OE2 2.9Å; H398-E405 IonicContact NE2-OE1 2.88Å; H398-E405 PolarHBondContact NE2-OE1 3.13Å; H398-E405 IonicContact NE2-OE2 3.31Å; H398-E405 PolarHBondContact NE2-OE2 3.16Å
399I94.6Very high92.8Very high50 Ų5040 Ų4026%0.25618%0.184SC..EExtended strand (participates in β ladder)trans-110.5124.7170.1-57.5-57.1000107.9W330 R331 L335 V397 S401W330-I399 HydrophobicContact CB-CD1 3.53Å; R331-I399 HydrophobicContact CB-CD1 4.09Å; L335-I399 HydrophobicContact CD1-CD1 3.97Å; L335-I399 HydrophobicContact CD1-CG1 3.41Å; L335-I399 VanDerWaalsContact CD1-CG1 3.41Å; L335-I399 HydrophobicContact CD2-CG1 4.49Å; L335-I399 HydrophobicContact CG-CD1 4.08Å; L335-I399 HydrophobicContact CG-CG1 4.03Å; V397-I399 HydrophobicContact CG1-CD1 3.72Å; V397-I399 HydrophobicContact CG1-CG1 4.48Å; I399-S401 PolarHBondContact O-N 2.7Å
400T95.4Very high93Very high7 Ų739 Ų394%0.04318%0.18CC..  trans-64130.5-178.9-58.60000110.7V231 P232 Y233 F402 E405V231-T400 HydrophobicContact CG1-CG2 3.54Å; P232-T400 VanDerWaalsContact O-CB 3.3Å; P232-T400 WeakPolarHBondContact O-CB 3.47Å; P232-T400 PolarHBondContact O-OG1 3.1Å; Y233-T400 PolarHBondContact O-N 2.88Å; T400-F402 HydrophobicContact CG2-CD2 3.94Å; T400-F402 HydrophobicContact CG2-CE1 4.17Å; T400-F402 HydrophobicContact CG2-CE2 3.51Å; T400-F402 HydrophobicContact CG2-CG 4.46Å; T400-F402 HydrophobicContact CG2-CZ 3.63Å; T400-F402 PolarHBondContact O-N 3.12Å; T400-F402 VanDerWaalsContact O-N 3.13Å; T400-E405 VanDerWaalsContact CA-OE2 3.27Å; T400-E405 WeakPolarHBondContact CA-OE2 3.45Å; T400-E405 HydrophobicContact CG2-CB 4.09Å; T400-E405 HydrophobicContact CG2-CG 4.23Å
401S94.3Very high93.1Very high38 Ų3834.9 Ų34.927%0.26616%0.161SC..  trans-84.186.2179.4-168.80000110.8R115 I399 W403 D404 E405R115-S401 PolarHBondContact NH2-OG 3.49Å; R115-S401 VanDerWaalsContact NH2-OG 3.1Å; I399-S401 PolarHBondContact O-N 2.7Å; S401-W403 CarbonylContact O-C 3.46Å; S401-D404 PolarHBondContact O-N 2.89Å; S401-E405 PolarHBondContact N-OE2 2.91Å; S401-E405 PolarHBondContact O-N 3.21Å
402F91.6Very high93.3Very high66 Ų6638.5 Ų38.529%0.28917%0.174SC..THydrogen-bonded Turntrans-74132175.5-71.6-80.9000112.2F200 Y233 T400 P406F200-F402 AromaticContact CD1-CE1 3.34Å; F200-F402 HydrophobicContact CD1-CE1 3.34Å; F200-F402 AromaticContact CD1-CZ 3.55Å; F200-F402 HydrophobicContact CD1-CZ 3.55Å; F200-F402 HydrophobicContact CD2-CE1 4.02Å; F200-F402 AromaticContact CE1-CE1 3.32Å; F200-F402 HydrophobicContact CE1-CE1 3.32Å; F200-F402 AromaticContact CE1-CZ 3.63Å; F200-F402 HydrophobicContact CE1-CZ 3.63Å; F200-F402 AromaticContact CE2-CE1 4Å; F200-F402 HydrophobicContact CE2-CE1 4Å; F200-F402 AromaticContact CG-CE1 3.69Å; F200-F402 HydrophobicContact CG-CE1 3.69Å; F200-F402 HydrophobicContact CG-CZ 4.26Å; F200-F402 AromaticContact CZ-CE1 3.68Å; F200-F402 HydrophobicContact CZ-CE1 3.68Å; F200-F402 HydrophobicContact CZ-CZ 4.39Å; Y233-F402 AromaticContact CD1-CE2 3.85Å; Y233-F402 HydrophobicContact CD1-CE2 3.85Å; Y233-F402 HydrophobicContact CD1-CZ 4.4Å; Y233-F402 HydrophobicContact CE1-CE2 4.29Å; Y233-F402 HydrophobicContact CG-CE2 4.13Å; Y233-F402 HydrophobicContact CG-CZ 4.43Å; T400-F402 HydrophobicContact CG2-CD2 3.94Å; T400-F402 HydrophobicContact CG2-CE1 4.17Å; T400-F402 HydrophobicContact CG2-CE2 3.51Å; T400-F402 HydrophobicContact CG2-CG 4.46Å; T400-F402 HydrophobicContact CG2-CZ 3.63Å; T400-F402 PolarHBondContact O-N 3.12Å; T400-F402 VanDerWaalsContact O-N 3.13Å; F402-P406 HydrophobicContact CD1-CG 3.62Å; F402-P406 HydrophobicContact CE1-CG 3.52Å; F402-P406 HydrophobicContact CZ-CG 4.49Å
403W90.9Very high93.5Very high63 Ų6338.1 Ų38.124%0.23918%0.177CC..THydrogen-bonded Turncis-94.8-3.31.5-68.1105.1000114.9F99 H139 M198 F200 S401 E405 P406 W407F99-W403 AromaticContact CD2-CD1 3.82Å; F99-W403 AromaticContact CD2-NE1 3.5Å; F99-W403 AromaticContact CE2-CD1 3.65Å; F99-W403 HydrophobicContact CE2-CD2 4.25Å; F99-W403 AromaticContact CE2-CE2 3.59Å; F99-W403 HydrophobicContact CE2-CG 4.29Å; F99-W403 HydrophobicContact CE2-CZ2 4.09Å; F99-W403 AromaticContact CE2-NE1 3.16Å; F99-W403 HydrophobicContact CZ-CZ2 4.12Å; F99-W403 AromaticContact CZ-NE1 4Å; H139-W403 AromaticContact CD2-CH2 3.56Å; H139-W403 AromaticContact CD2-CZ2 3.87Å; H139-W403 AromaticContact NE2-CH2 3.23Å; H139-W403 WeakPolarHBondContact NE2-CH2 3.49Å; H139-W403 AromaticContact NE2-CZ2 3.51Å; M198-W403 HydrophobicContact CE-CD2 4.47Å; M198-W403 HydrophobicContact CE-CE3 3.58Å; M198-W403 HydrophobicContact CE-CH2 4.07Å; M198-W403 HydrophobicContact CE-CZ3 3.34Å; M198-W403 HydrophobicContact SD-CE3 4.1Å; M198-W403 HydrophobicContact SD-CZ3 4.01Å; F200-W403 HydrophobicContact CD2-CH2 4.13Å; F200-W403 AromaticContact CD2-CZ3 3.53Å; F200-W403 HydrophobicContact CD2-CZ3 3.53Å; F200-W403 AromaticContact CE2-CZ3 3.94Å; F200-W403 HydrophobicContact CE2-CZ3 3.94Å; F200-W403 HydrophobicContact CG-CZ3 4.38Å; S401-W403 CarbonylContact O-C 3.46Å; W403-E405 PolarHBondContact O-N 3.22Å; W403-P406 WeakPolarHBondContact O-CD 3.5Å; W403-W407 HydrophobicContact CB-CD2 3.99Å; W403-W407 VanDerWaalsContact CB-CE2 3.42Å; W403-W407 HydrophobicContact CB-CE3 4.31Å; W403-W407 HydrophobicContact CB-CH2 3.69Å; W403-W407 HydrophobicContact CB-CZ2 3.29Å; W403-W407 HydrophobicContact CB-CZ3 4.17Å; W403-W407 AromaticContact CG-CZ2 3.98Å; W403-W407 HydrophobicContact CG-CZ2 3.98Å; W403-W407 VanDerWaalsContact O-CD2 3.27Å; W403-W407 VanDerWaalsContact O-CG 3.25Å; W403-W407 PolarHBondContact O-N 2.89Å
404D93.8Very high93.8Very high15 Ų1531 Ų318%0.0815%0.152CC..Hα-helixtrans-57.7-45.6-169.3-57.4-40.9000113.7P110 R115 F116 S401 C408P110-D404 HydrophobicContact CB-CB 3.96Å; P110-D404 HydrophobicContact CG-CB 3.74Å; R115-D404 IonicContact CZ-OD2 2.84Å; R115-D404 IonicContact NH1-OD1 3.16Å; R115-D404 IonicContact NH1-OD2 3.18Å; R115-D404 PolarHBondContact NH1-OD2 3.05Å; R115-D404 IonicContact NH2-OD2 2.65Å; R115-D404 PolarHBondContact NH2-OD2 3.28Å; F116-D404 HydrophobicContact CE2-CB 3.94Å; F116-D404 HydrophobicContact CZ-CB 3.88Å; S401-D404 PolarHBondContact O-N 2.89Å; D404-C408 PolarHBondContact O-N 3.44Å; D404-C408 VanDerWaalsContact O-N 3.14Å; D404-C408 PolarHBondContact O-SG 3.43Å
405E95.9Very high94Very high13 Ų1329.2 Ų29.26%0.06114%0.136CC..Hα-helixtrans-70.7-49.2-175.1-175.8169.5-179.600113F116 H398 T400 S401 W403 W407 C408 Q409F116-E405 HydrophobicContact CD1-CB 4.35Å; F116-E405 HydrophobicContact CD1-CG 4.17Å; F116-E405 HydrophobicContact CE1-CB 3.63Å; F116-E405 HydrophobicContact CE1-CG 3.88Å; F116-E405 HydrophobicContact CE2-CB 4.45Å; F116-E405 HydrophobicContact CZ-CB 3.69Å; F116-E405 HydrophobicContact CZ-CG 4.39Å; H398-E405 IonicContact CD2-OE1 3.82Å; H398-E405 IonicContact CE1-OE1 3.57Å; H398-E405 IonicContact CE1-OE2 2.9Å; H398-E405 IonicContact NE2-OE1 2.88Å; H398-E405 PolarHBondContact NE2-OE1 3.13Å; H398-E405 IonicContact NE2-OE2 3.31Å; H398-E405 PolarHBondContact NE2-OE2 3.16Å; T400-E405 VanDerWaalsContact CA-OE2 3.27Å; T400-E405 WeakPolarHBondContact CA-OE2 3.45Å; T400-E405 HydrophobicContact CG2-CB 4.09Å; T400-E405 HydrophobicContact CG2-CG 4.23Å; S401-E405 PolarHBondContact N-OE2 2.91Å; S401-E405 PolarHBondContact O-N 3.21Å; W403-E405 PolarHBondContact O-N 3.22Å; E405-W407 VanDerWaalsContact C-N 3.28Å; E405-W407 PolarHBondContact O-N 3.3Å; E405-C408 PolarHBondContact O-N 2.77Å; E405-Q409 HydrophobicContact CG-CG 4.27Å; E405-Q409 VanDerWaalsContact O-CG 3.31Å; E405-Q409 WeakPolarHBondContact O-CG 3.44Å; E405-Q409 PolarHBondContact O-N 3.08Å
406P96.4Very high94Very high0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-51.3-42.5171.7-26.629.8000114.5M198 F200 L221 V231 F402 W403 Q409 T410M198-P406 HydrophobicContact SD-CB 4.38Å; F200-P406 HydrophobicContact CE1-CG 4.46Å; F200-P406 HydrophobicContact CE2-CB 4.09Å; F200-P406 HydrophobicContact CE2-CG 4.12Å; F200-P406 HydrophobicContact CZ-CB 3.87Å; F200-P406 HydrophobicContact CZ-CG 3.74Å; L221-P406 HydrophobicContact CD1-CB 4.25Å; L221-P406 HydrophobicContact CD2-CB 3.86Å; L221-P406 HydrophobicContact CG-CB 4.38Å; V231-P406 HydrophobicContact CG1-CG 4.06Å; F402-P406 HydrophobicContact CD1-CG 3.62Å; F402-P406 HydrophobicContact CE1-CG 3.52Å; F402-P406 HydrophobicContact CZ-CG 4.49Å; W403-P406 WeakPolarHBondContact O-CD 3.5Å; P406-Q409 PolarHBondContact O-N 3.04Å; P406-T410 PolarHBondContact O-N 3.48Å; P406-T410 VanDerWaalsContact O-N 3.11Å; P406-T410 PolarHBondContact O-OG1 3.31Å
407W95.8Very high93.8Very high11 Ų1131.2 Ų31.24%0.04216%0.16CC..Hα-helixtrans-62.8-48.8177.8-61-21.1000111.5L94 W96 P98 P110 L123 L137 W403 E405 Q409 T410L94-W407 HydrophobicContact CD1-CD2 3.84Å; L94-W407 HydrophobicContact CD1-CE3 4.01Å; L94-W407 HydrophobicContact CD1-CG 4.28Å; L94-W407 HydrophobicContact CD1-CH2 4.38Å; L94-W407 HydrophobicContact CD1-CZ2 4.21Å; L94-W407 HydrophobicContact CD1-CZ3 4.29Å; L94-W407 HydrophobicContact CD2-CB 4.34Å; L94-W407 HydrophobicContact CD2-CD2 4.3Å; L94-W407 HydrophobicContact CD2-CG 3.92Å; W96-W407 AromaticContact CH2-NE1 3.5Å; W96-W407 HydrophobicContact CZ2-CZ2 4.18Å; W96-W407 AromaticContact CZ2-NE1 3.78Å; P98-W407 HydrophobicContact CB-CH2 3.88Å; P98-W407 HydrophobicContact CB-CZ2 4.22Å; P98-W407 HydrophobicContact CG-CH2 4.19Å; P110-W407 HydrophobicContact CG-CE3 4.24Å; L123-W407 HydrophobicContact CD1-CB 3.83Å; L123-W407 HydrophobicContact CD1-CE3 4.48Å; L123-W407 HydrophobicContact CD2-CB 4.16Å; L137-W407 VanDerWaalsContact CD2-CD1 3.44Å; L137-W407 HydrophobicContact CD2-CG 4.47Å; W403-W407 HydrophobicContact CB-CD2 3.99Å; W403-W407 VanDerWaalsContact CB-CE2 3.42Å; W403-W407 HydrophobicContact CB-CE3 4.31Å; W403-W407 HydrophobicContact CB-CH2 3.69Å; W403-W407 HydrophobicContact CB-CZ2 3.29Å; W403-W407 HydrophobicContact CB-CZ3 4.17Å; W403-W407 AromaticContact CG-CZ2 3.98Å; W403-W407 HydrophobicContact CG-CZ2 3.98Å; W403-W407 VanDerWaalsContact O-CD2 3.27Å; W403-W407 VanDerWaalsContact O-CG 3.25Å; W403-W407 PolarHBondContact O-N 2.89Å; E405-W407 VanDerWaalsContact C-N 3.28Å; E405-W407 PolarHBondContact O-N 3.3Å; W407-Q409 VanDerWaalsContact C-N 3.35Å; W407-Q409 PolarHBondContact O-N 3.4Å; W407-T410 VanDerWaalsContact O-CB 3.25Å; W407-T410 WeakPolarHBondContact O-CB 3.41Å; W407-T410 PolarHBondContact O-N 2.76Å; W407-T410 VanDerWaalsContact O-N 3.13Å
408C96.7Very high92.9Very high0 Ų033.5 Ų33.50%018%0.183CC..Hα-helixtrans-66.3-35.2179.1-67.40000112.7C112 F116 I118 D404 E405 T410 C411 R412C112-C408 WeakPolarHBondContact CA-SG 3.49Å; C112-C408 HydrophobicContact CB-CB 3.64Å; C112-C408 WeakPolarHBondContact CB-SG 3.39Å; C112-C408 WeakPolarHBondContact SG-CA 3.39Å; C112-C408 WeakPolarHBondContact SG-CB 3.3Å; C112-C408 CovalentContact SG-SG 2.03Å; C112-C408 PolarHBondContact SG-SG 2.89Å; F116-C408 HydrophobicContact CD2-CB 3.69Å; F116-C408 WeakPolarHBondContact CD2-SG 3.45Å; F116-C408 HydrophobicContact CE2-CB 4.19Å; F116-C408 HydrophobicContact CG-CB 4.39Å; I118-C408 HydrophobicContact CD1-CB 3.91Å; I118-C408 VanDerWaalsContact CD1-O 3.27Å; I118-C408 WeakPolarHBondContact CD1-O 3.3Å; D404-C408 PolarHBondContact O-N 3.44Å; D404-C408 VanDerWaalsContact O-N 3.14Å; D404-C408 PolarHBondContact O-SG 3.43Å; E405-C408 PolarHBondContact O-N 2.77Å; C408-T410 PolarHBondContact O-N 3.25Å; C408-C411 WeakPolarHBondContact O-CB 3.45Å; C408-C411 PolarHBondContact O-N 3.36Å; C408-R412 PolarHBondContact O-N 3.45Å
409Q97.2Very high91.8Very high43 Ų4338 Ų3820%0.20121%0.209CC..Hα-helixtrans-65.4-27.9173.7-69.5-60.9-16.700112.4I229 V231 E405 P406 W407 R412 A413I229-Q409 HydrophobicContact CG2-CB 4.02Å; V231-Q409 HydrophobicContact CG2-CB 4.05Å; V231-Q409 HydrophobicContact CG2-CG 4.06Å; E405-Q409 HydrophobicContact CG-CG 4.27Å; E405-Q409 VanDerWaalsContact O-CG 3.31Å; E405-Q409 WeakPolarHBondContact O-CG 3.44Å; E405-Q409 PolarHBondContact O-N 3.08Å; P406-Q409 PolarHBondContact O-N 3.04Å; W407-Q409 VanDerWaalsContact C-N 3.35Å; W407-Q409 PolarHBondContact O-N 3.4Å; Q409-R412 PolarHBondContact O-N 3.24Å; Q409-A413 WeakPolarHBondContact O-CB 3.37Å; Q409-A413 PolarHBondContact O-N 3.39Å
410T96.5Very high90.6Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-61.7-45.3172.8-530000111.2V92 V196 L221 I229 P406 W407 C408 R412 A413 V414V92-T410 HydrophobicContact CG1-CG2 3.82Å; V92-T410 HydrophobicContact CG2-CG2 4.05Å; V196-T410 HydrophobicContact CG2-CG2 4.25Å; L221-T410 WeakPolarHBondContact CD2-OG1 3.36Å; I229-T410 HydrophobicContact CD1-CG2 3.94Å; P406-T410 PolarHBondContact O-N 3.48Å; P406-T410 VanDerWaalsContact O-N 3.11Å; P406-T410 PolarHBondContact O-OG1 3.31Å; W407-T410 VanDerWaalsContact O-CB 3.25Å; W407-T410 WeakPolarHBondContact O-CB 3.41Å; W407-T410 PolarHBondContact O-N 2.76Å; W407-T410 VanDerWaalsContact O-N 3.13Å; C408-T410 PolarHBondContact O-N 3.25Å; T410-R412 VanDerWaalsContact C-N 3.34Å; T410-R412 PolarHBondContact O-N 3.32Å; T410-A413 PolarHBondContact O-N 3.25Å; T410-V414 VanDerWaalsContact O-CG2 3.32Å; T410-V414 WeakPolarHBondContact O-CG2 3.41Å; T410-V414 PolarHBondContact O-N 2.87Å
411C95.8Very high89.4Confident0 Ų048 Ų480%026%0.264CS..Hα-helixtrans-57.2-47.4173.7-74.90000112V90 V92 I118 C121 C408 A413 V414 Q415V90-C411 HydrophobicContact CG2-CB 3.77Å; V92-C411 HydrophobicContact CG2-CB 4.39Å; V92-C411 VanDerWaalsContact CG2-SG 3.59Å; I118-C411 HydrophobicContact CG2-CB 4.35Å; C121-C411 VanDerWaalsContact CA-SG 3.57Å; C121-C411 HydrophobicContact CB-CB 3.35Å; C121-C411 WeakPolarHBondContact CB-SG 3.41Å; C121-C411 WeakPolarHBondContact SG-CB 3.37Å; C121-C411 CovalentContact SG-SG 2.02Å; C121-C411 PolarHBondContact SG-SG 2.86Å; C408-C411 WeakPolarHBondContact O-CB 3.45Å; C408-C411 PolarHBondContact O-N 3.36Å; C411-A413 VanDerWaalsContact C-N 3.29Å; C411-A413 PolarHBondContact O-N 3.06Å; C411-V414 PolarHBondContact O-N 2.92Å; C411-V414 VanDerWaalsContact O-N 3.17Å; C411-Q415 WeakPolarHBondContact O-CB 3.28Å; C411-Q415 VanDerWaalsContact O-CG 3.26Å; C411-Q415 WeakPolarHBondContact O-CG 3.45Å; C411-Q415 PolarHBondContact O-N 2.9Å
412R95.6Very high88.8Confident95 Ų9550.8 Ų50.836%0.35827%0.271SS..Hα-helixtrans-60.4-40.5179.8-173.8179.8-63-161.11.5111.7F116 I118 C408 Q409 T410 Q415 T416F116-R412 PolarHBondContact O-NH2 3.16Å; I118-R412 HydrophobicContact CD1-CB 4.13Å; I118-R412 HydrophobicContact CG2-CB 4.33Å; C408-R412 PolarHBondContact O-N 3.45Å; Q409-R412 PolarHBondContact O-N 3.24Å; T410-R412 VanDerWaalsContact C-N 3.34Å; T410-R412 PolarHBondContact O-N 3.32Å; R412-Q415 PolarHBondContact O-N 3.03Å; R412-T416 WeakPolarHBondContact O-CB 3.48Å; R412-T416 WeakPolarHBondContact O-CG2 3.44Å; R412-T416 PolarHBondContact O-N 3.26Å; R412-T416 VanDerWaalsContact O-N 3.11Å; R412-T416 PolarHBondContact O-OG1 2.99Å
413A94.9Very high88.2Confident19 Ų1950.5 Ų50.516%0.15728%0.278CS..Hα-helixtrans-63.9-44175.100000111.9W219 I229 Q409 T410 C411 T416 S417W219-A413 HydrophobicContact CZ3-CB 4.03Å; I229-A413 HydrophobicContact CD1-CB 3.88Å; I229-A413 HydrophobicContact CG1-CB 3.61Å; I229-A413 HydrophobicContact CG2-CB 4.44Å; Q409-A413 WeakPolarHBondContact O-CB 3.37Å; Q409-A413 PolarHBondContact O-N 3.39Å; T410-A413 PolarHBondContact O-N 3.25Å; C411-A413 VanDerWaalsContact C-N 3.29Å; C411-A413 PolarHBondContact O-N 3.06Å; A413-T416 PolarHBondContact O-N 2.89Å; A413-T416 PolarHBondContact O-OG1 3.25Å; A413-S417 VanDerWaalsContact O-CB 3.25Å; A413-S417 WeakPolarHBondContact O-CB 3.26Å; A413-S417 PolarHBondContact O-N 3.15Å; A413-S417 PolarHBondContact O-OG 3.23Å
414V93.3Very high88Confident16 Ų1648.5 Ų48.510%0.09727%0.271CS..Hα-helixtrans-62.7-44.9175.91790000111.6V90 Q134 A135 W219 T410 C411 T416 S417V90-V414 HydrophobicContact CB-CG1 4.13Å; V90-V414 HydrophobicContact CG1-CB 4.4Å; V90-V414 HydrophobicContact CG1-CG1 3.82Å; Q134-V414 HydrophobicContact CB-CG1 3.9Å; A135-V414 HydrophobicContact CB-CG2 3.68Å; W219-V414 HydrophobicContact CH2-CG2 4.15Å; W219-V414 HydrophobicContact CZ3-CB 4.45Å; W219-V414 HydrophobicContact CZ3-CG2 3.64Å; T410-V414 VanDerWaalsContact O-CG2 3.32Å; T410-V414 WeakPolarHBondContact O-CG2 3.41Å; T410-V414 PolarHBondContact O-N 2.87Å; C411-V414 PolarHBondContact O-N 2.92Å; C411-V414 VanDerWaalsContact O-N 3.17Å; V414-T416 VanDerWaalsContact C-N 3.28Å; V414-T416 PolarHBondContact O-N 3.4Å; V414-S417 PolarHBondContact O-N 3.38Å; V414-S417 PolarHBondContact O-OG 2.64Å
415Q92.1Very high87.5Confident29 Ų2952.9 Ų52.914%0.13629%0.291CS..Hα-helixtrans-61.6-35.8179.9-72.9171.3-25.900113.3Q87 R88 V90 S119 G120 C411 R412Q87-Q415 VanDerWaalsContact OE1-CB 3.31Å; R88-Q415 PolarHBondContact O-NE2 3.49Å; V90-Q415 HydrophobicContact CB-CG 4.22Å; V90-Q415 HydrophobicContact CG1-CB 4.48Å; V90-Q415 HydrophobicContact CG1-CG 3.57Å; V90-Q415 HydrophobicContact CG2-CG 3.57Å; S119-Q415 PolarHBondContact O-NE2 3.22Å; G120-Q415 PolarHBondContact O-NE2 2.95Å; C411-Q415 WeakPolarHBondContact O-CB 3.28Å; C411-Q415 VanDerWaalsContact O-CG 3.26Å; C411-Q415 WeakPolarHBondContact O-CG 3.45Å; C411-Q415 PolarHBondContact O-N 2.9Å; R412-Q415 PolarHBondContact O-N 3.03Å
416T89.6Confident87.1Confident96 Ų9654.2 Ų54.259%0.58930%0.299SS*.Hα-helixtrans-93.3-14.3-177.454.60000112.8R412 A413 V414R412-T416 WeakPolarHBondContact O-CB 3.48Å; R412-T416 WeakPolarHBondContact O-CG2 3.44Å; R412-T416 PolarHBondContact O-N 3.26Å; R412-T416 VanDerWaalsContact O-N 3.11Å; R412-T416 PolarHBondContact O-OG1 2.99Å; A413-T416 PolarHBondContact O-N 2.89Å; A413-T416 PolarHBondContact O-OG1 3.25Å; V414-T416 VanDerWaalsContact C-N 3.28Å; V414-T416 PolarHBondContact O-N 3.4Å
417S85.3Confident86.9Confident41 Ų4154.8 Ų54.829%0.28730%0.301SS..  trans-70.9134.1174710000110.9W219 A413 V414W219-S417 VanDerWaalsContact CH2-CB 3.44Å; W219-S417 WeakPolarHBondContact CH2-OG 3.26Å; A413-S417 VanDerWaalsContact O-CB 3.25Å; A413-S417 WeakPolarHBondContact O-CB 3.26Å; A413-S417 PolarHBondContact O-N 3.15Å; A413-S417 PolarHBondContact O-OG 3.23Å; V414-S417 PolarHBondContact O-N 3.38Å; V414-S417 PolarHBondContact O-OG 2.64Å
418G72.2Confident86.7Confident49 Ų4954.3 Ų54.351%0.50530%0.3SS..  trans-75.7-179.116200000111.5R194 Q420R194-G418 PolarHBondContact NH2-O 2.94Å; G418-Q420 PolarHBondContact O-N 3.28Å
419D71.3Confident86.4Confident148 Ų14857.9 Ų57.979%0.79132%0.319SS*.SBendtrans-75.413.2-176.3-61.6-41.5000114.4P421D419-P421 WeakPolarHBondContact O-CD 3.37Å
420Q67.9Low86.1Confident155 Ų15557.2 Ų57.272%0.72432%0.315SS*.  trans-65.8121.2-174.9-66.9-61.7-25.800111.7R194 G418 K422R194-Q420 PolarHBondContact NH2-O 2.87Å; G418-Q420 PolarHBondContact O-N 3.28Å; Q420-K422 PolarHBondContact O-N 2.84Å
421P70.6Confident86Confident110 Ų11057.2 Ų57.271%0.71432%0.315SS*.  trans-69.1132176.227.3-31.3000109.9D419D419-P421 WeakPolarHBondContact O-CD 3.37Å
422K80.9Confident85.7Confident97 Ų9760.5 Ų60.542%0.42233%0.33SS..  trans-135.1138.6172.9-172.5177.6-179.7-178.20109N218 D228 Q420N218-K422 VanDerWaalsContact CA-O 3.27Å; N218-K422 WeakPolarHBondContact CA-O 3.36Å; N218-K422 WeakPolarHBondContact CB-O 3.37Å; N218-K422 PolarHBondContact ND2-O 2.77Å; D228-K422 WeakPolarHBondContact OD1-CD 3.43Å; D228-K422 WeakPolarHBondContact OD1-CE 3.14Å; D228-K422 IonicContact OD1-NZ 2.62Å; D228-K422 PolarHBondContact OD1-NZ 2.99Å; D228-K422 IonicContact OD2-NZ 3.73Å; Q420-K422 PolarHBondContact O-N 2.84Å
423S80.9Confident85.1Confident61 Ų6166.6 Ų66.643%0.42735%0.353SS..  trans-130149.9168.164.80000109.9D215D215-S423 WeakPolarHBondContact OD1-CB 3.5Å; D215-S423 PolarHBondContact OD1-OG 3.31Å
424I84.9Confident84.6Confident20 Ų2069 Ų6910%0.10336%0.363CS..  trans-96.8101.7172.5-60.8155.7000107D215 F217 T220 N426 L427D215-I424 WeakPolarHBondContact CA-O 3.34Å; D215-I424 PolarHBondContact N-O 3.29Å; F217-I424 HydrophobicContact CB-CD1 4.13Å; F217-I424 PolarHBondContact O-N 2.78Å; T220-I424 HydrophobicContact CG2-CD1 3.29Å; T220-I424 HydrophobicContact CG2-CG1 4.46Å; I424-N426 PolarHBondContact O-N 2.81Å; I424-L427 HydrophobicContact CD1-CD1 4.44Å; I424-L427 HydrophobicContact CG2-CB 4.16Å; I424-L427 HydrophobicContact CG2-CD1 4.19Å
425H84.6Confident84.2Confident107 Ų10771.8 Ų71.850%0.49538%0.377SS..SBendtrans-56.9-48.2-174.6-17561.4000112.9K214 D215K214-H425 VanDerWaalsContact CA-O 3.25Å; K214-H425 WeakPolarHBondContact CA-O 3.35Å; K214-H425 WeakPolarHBondContact CB-O 3.44Å; K214-H425 WeakPolarHBondContact CG-O 3.37Å; D215-H425 PolarHBondContact N-O 2.76Å; D215-H425 VanDerWaalsContact OD1-CA 3.27Å; D215-H425 WeakPolarHBondContact OD1-CA 3.16Å; D215-H425 IonicContact OD1-ND1 3.72Å; D215-H425 IonicContact OD2-CE1 3.6Å; D215-H425 IonicContact OD2-CG 3.89Å; D215-H425 IonicContact OD2-ND1 2.83Å; D215-H425 PolarHBondContact OD2-ND1 3.37Å
426N87Confident83.7Confident42 Ų4274.2 Ų74.223%0.22539%0.39CS..  trans-137.8102.4174.5-171.3-24.1000110.4I424 A428 D429 W430I424-N426 PolarHBondContact O-N 2.81Å; N426-A428 VanDerWaalsContact C-N 3.31Å; N426-A428 PolarHBondContact O-N 2.84Å; N426-A428 WeakPolarHBondContact OD1-CB 3.43Å; N426-A428 PolarHBondContact OD1-N 3.04Å; N426-D429 HydrophobicContact CB-CB 3.93Å; N426-D429 VanDerWaalsContact CG-OD2 3.24Å; N426-D429 PolarHBondContact ND2-OD1 3.49Å; N426-D429 PolarHBondContact ND2-OD2 3.45Å; N426-D429 PolarHBondContact O-N 3.07Å; N426-D429 PolarHBondContact OD1-N 3.23Å; N426-W430 PolarHBondContact O-N 3.18Å
427L91.3Very high83.4Confident11 Ų1172.9 Ų72.96%0.05838%0.379CS..Hα-helixtrans-63.2-37.6-179.7-17867.8000112.1W197 L209 L212 F217 T220 I424 W430 F431W197-L427 HydrophobicContact CB-CD2 4.25Å; W197-L427 HydrophobicContact CD2-CD1 3.89Å; W197-L427 HydrophobicContact CD2-CD2 3.72Å; W197-L427 HydrophobicContact CD2-CG 4.31Å; W197-L427 HydrophobicContact CE3-CD1 3.82Å; W197-L427 HydrophobicContact CE3-CD2 4.49Å; W197-L427 HydrophobicContact CG-CD1 4.23Å; W197-L427 HydrophobicContact CG-CD2 3.6Å; W197-L427 HydrophobicContact CZ2-CD2 4.42Å; W197-L427 HydrophobicContact CZ3-CD1 4.25Å; L209-L427 HydrophobicContact CD2-CD2 3.83Å; L209-L427 HydrophobicContact CD2-CG 4.13Å; L212-L427 HydrophobicContact CD1-CD2 3.87Å; F217-L427 HydrophobicContact CD2-CD2 4Å; F217-L427 HydrophobicContact CE2-CD2 4.27Å; T220-L427 HydrophobicContact CG2-CD1 3.8Å; I424-L427 HydrophobicContact CD1-CD1 4.44Å; I424-L427 HydrophobicContact CG2-CB 4.16Å; I424-L427 HydrophobicContact CG2-CD1 4.19Å; L427-W430 HydrophobicContact CD1-CE3 3.86Å; L427-W430 HydrophobicContact CD1-CZ3 4.06Å; L427-W430 PolarHBondContact O-N 2.78Å; L427-F431 WeakPolarHBondContact O-CB 3.34Å; L427-F431 PolarHBondContact O-N 2.93Å
428A92Very high83.3Confident1 Ų174.9 Ų74.91%0.00838%0.384CS..Hα-helixtrans-66.2-47.1178.300000111L209 R210 N426 W430 F431 Q432L209-A428 HydrophobicContact CB-CB 3.84Å; R210-A428 HydrophobicContact CG-CB 3.76Å; N426-A428 VanDerWaalsContact C-N 3.31Å; N426-A428 PolarHBondContact O-N 2.84Å; N426-A428 WeakPolarHBondContact OD1-CB 3.43Å; N426-A428 PolarHBondContact OD1-N 3.04Å; A428-W430 VanDerWaalsContact C-N 3.27Å; A428-W430 PolarHBondContact O-N 3.47Å; A428-F431 PolarHBondContact O-N 3.24Å; A428-Q432 VanDerWaalsContact O-CB 3.24Å; A428-Q432 WeakPolarHBondContact O-CB 3.45Å; A428-Q432 VanDerWaalsContact O-CG 3.3Å; A428-Q432 WeakPolarHBondContact O-CG 3.38Å; A428-Q432 PolarHBondContact O-N 2.58Å
429D90.6Very high84Confident75 Ų7576.6 Ų76.640%0.40138%0.376SS..Hα-helixtrans-63.9-34.5178.8-68.9-9.7000111.6N426 R433N426-D429 HydrophobicContact CB-CB 3.93Å; N426-D429 VanDerWaalsContact CG-OD2 3.24Å; N426-D429 PolarHBondContact ND2-OD1 3.49Å; N426-D429 PolarHBondContact ND2-OD2 3.45Å; N426-D429 PolarHBondContact O-N 3.07Å; N426-D429 PolarHBondContact OD1-N 3.23Å; D429-R433 VanDerWaalsContact O-CD 3.31Å; D429-R433 WeakPolarHBondContact O-CD 3.45Å; D429-R433 WeakPolarHBondContact O-CG 3.37Å; D429-R433 PolarHBondContact O-NE 3.35Å
430W92.1Very high84.9Confident30 Ų3071.5 Ų71.511%0.11435%0.347CS..Hα-helixtrans-69.1-51.3174.3167.475.6000111.1W197 T220 R224 D226 N426 L427 A428W197-W430 HydrophobicContact CE3-CZ3 4.22Å; W197-W430 HydrophobicContact CH2-CZ3 4.42Å; W197-W430 HydrophobicContact CZ3-CH2 4.29Å; W197-W430 AromaticContact CZ3-CZ3 3.65Å; W197-W430 HydrophobicContact CZ3-CZ3 3.65Å; T220-W430 HydrophobicContact CG2-CE3 4Å; T220-W430 HydrophobicContact CG2-CH2 3.67Å; T220-W430 HydrophobicContact CG2-CZ2 4.39Å; T220-W430 HydrophobicContact CG2-CZ3 3.44Å; T220-W430 VanDerWaalsContact CG2-CZ3 3.44Å; R224-W430 HydrophobicContact CB-CZ2 4.33Å; R224-W430 PolarHBondContact NH1-O 3.14Å; R224-W430 PolarHBondContact NH2-O 3.45Å; D226-W430 PolarHBondContact OD2-NE1 3.02Å; N426-W430 PolarHBondContact O-N 3.18Å; L427-W430 HydrophobicContact CD1-CE3 3.86Å; L427-W430 HydrophobicContact CD1-CZ3 4.06Å; L427-W430 PolarHBondContact O-N 2.78Å; A428-W430 VanDerWaalsContact C-N 3.27Å; A428-W430 PolarHBondContact O-N 3.47Å
431F93.6Very high86.2Confident0 Ų065.1 Ų65.10%032%0.318CS..Hα-helixtrans-73.7-32.4-169.7-163.3-117.5000113.5W197 N199 E201 P203 T206 L209 Y223 R224 L427 A428W197-F431 AromaticContact CH2-CD1 3.95Å; W197-F431 HydrophobicContact CH2-CD1 3.95Å; W197-F431 AromaticContact CH2-CD2 3.72Å; W197-F431 HydrophobicContact CH2-CD2 3.72Å; W197-F431 AromaticContact CH2-CE1 3.98Å; W197-F431 HydrophobicContact CH2-CE1 3.98Å; W197-F431 AromaticContact CH2-CE2 3.79Å; W197-F431 HydrophobicContact CH2-CE2 3.79Å; W197-F431 AromaticContact CH2-CG 3.81Å; W197-F431 HydrophobicContact CH2-CG 3.81Å; W197-F431 AromaticContact CH2-CZ 3.91Å; W197-F431 HydrophobicContact CH2-CZ 3.91Å; W197-F431 AromaticContact CZ3-CD2 3.99Å; W197-F431 HydrophobicContact CZ3-CD2 3.99Å; W197-F431 HydrophobicContact CZ3-CE2 4.11Å; W197-F431 HydrophobicContact CZ3-CG 4.43Å; N199-F431 WeakPolarHBondContact ND2-CE1 3.34Å; N199-F431 WeakPolarHBondContact ND2-CZ 3.41Å; E201-F431 VanDerWaalsContact O-CZ 3.27Å; E201-F431 WeakPolarHBondContact O-CZ 3.31Å; P203-F431 HydrophobicContact CB-CD1 4.12Å; P203-F431 HydrophobicContact CB-CE1 4.19Å; P203-F431 HydrophobicContact CG-CD1 3.8Å; P203-F431 HydrophobicContact CG-CE1 3.72Å; P203-F431 HydrophobicContact CG-CG 4.39Å; P203-F431 HydrophobicContact CG-CZ 4.21Å; P203-F431 WeakPolarHBondContact CG-O 3.49Å; T206-F431 HydrophobicContact CG2-CD1 4.27Å; T206-F431 HydrophobicContact CG2-CE1 3.98Å; L209-F431 HydrophobicContact CD1-CB 4.15Å; L209-F431 HydrophobicContact CD1-CD1 3.62Å; L209-F431 HydrophobicContact CD1-CG 4.3Å; Y223-F431 HydrophobicContact CE1-CE2 4.49Å; Y223-F431 HydrophobicContact CE1-CZ 4.14Å; R224-F431 HydrophobicContact CG-CE2 4.29Å; R224-F431 PolarHBondContact NH1-O 3.48Å; L427-F431 WeakPolarHBondContact O-CB 3.34Å; L427-F431 PolarHBondContact O-N 2.93Å; A428-F431 PolarHBondContact O-N 3.24Å
432Q90.3Very high87.5Confident69 Ų6961.3 Ų61.332%0.32229%0.285SS..THydrogen-bonded Turntrans-90.94.6-174.6-60.7-178.3-21.100114.7P203 L209 R210 A428P203-Q432 HydrophobicContact CB-CG 4.43Å; L209-Q432 HydrophobicContact CD1-CG 4.3Å; R210-Q432 VanDerWaalsContact NH2-OE1 3.16Å; A428-Q432 VanDerWaalsContact O-CB 3.24Å; A428-Q432 WeakPolarHBondContact O-CB 3.45Å; A428-Q432 VanDerWaalsContact O-CG 3.3Å; A428-Q432 WeakPolarHBondContact O-CG 3.38Å; A428-Q432 PolarHBondContact O-N 2.58Å
433R82.3Confident88.1Confident223 Ų22358.1 Ų58.184%0.84227%0.272SS*.  trans-62.70176.5-88.4164.5-150.9-165.65.7113.8D429D429-R433 VanDerWaalsContact O-CD 3.31Å; D429-R433 WeakPolarHBondContact O-CD 3.45Å; D429-R433 WeakPolarHBondContact O-CG 3.37Å; D429-R433 PolarHBondContact O-NE 3.35Å

Retrieved 433 of 433 residues in 1012.5 ms (Link to these results)