A0A0D9QZE3_CHLSB Loading...

E3 ubiquitin-protein ligase

E3 ubiquitin-protein ligase that mediates ubiquitination and subsequent proteasomal degradation of target proteins. E3 ubiquitin ligases accept ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates.

AlphaFold DB , UniProt , Accession A0A0D9QZE3, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene SIAH1, Length 313 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
1M40.9Very low31.8Very low249 Ų249150 Ų150100%1.22787%0.87SS**  0101.20-77.1175155.100107.9
2T33Very low31.2Very low147 Ų147146.2 Ų146.290%0.90286%0.858SS**  trans-91.7115.7-175.945.60000109.6
3G29.8Very low30.8Very low82 Ų82153.5 Ų153.585%0.84586%0.863SS**  trans-111.6115.9174.400000110.6
4K30.6Very low30.4Very low206 Ų206159.3 Ų159.390%0.89686%0.864SS**  trans-77.5140.9-176.7-75.2173171.5176.50111.9
5A29.8Very low30.1Very low103 Ų103152.7 Ų152.785%0.85185%0.849SS**  trans-81135.8162.600000110.7
6T33.6Very low30.1Very low132 Ų132150.8 Ų150.881%0.8184%0.842SS**  trans-109.5131.2173.5400000110.1
7P35.6Very low29.9Very low118 Ų118150.6 Ų150.677%0.76684%0.838SS**PPolyproline II helixtrans-90.5156.4168.633.5-30000112.3
8P32.2Very low29.7Very low131 Ų131152.9 Ų152.985%0.85184%0.838SS**PPolyproline II helixtrans-81.2162.6178.633.5-33.2000113.2
9S28.3Very low29.5Very low99 Ų99150.4 Ų150.469%0.69283%0.828SS**PPolyproline II helixtrans-71.8137.6-154.857.90000116.9
10L28Very low29.5Very low176 Ų176149.3 Ų149.392%0.92183%0.83SS**PPolyproline II helixtrans-61.4127160.6-74.9152.2000111.3
11Y27.6Very low29.5Very low207 Ų207149.5 Ų149.581%0.81283%0.828SS**PPolyproline II helixtrans-73.9125168.4-86.7-95.4000110.7W13Y11-W13 PolarHBondContact O-N 2.78Å
12S25.1Very low29.1Very low104 Ų104143.4 Ų143.473%0.72781%0.808SS**  trans-64112.7175.3142.40000111.3
13W25.6Very low29Very low241 Ų241141.1 Ų141.191%0.91380%0.804SS**  trans-95.2109.4159.1-7676000108.7Y11 G15Y11-W13 PolarHBondContact O-N 2.78Å; W13-G15 PolarHBondContact O-N 2.94Å
14R26.3Very low29Very low235 Ų235141.9 Ų141.989%0.88780%0.802SS**  trans-67.798.4166.3-81.6-177.2167.1-148.1-1.6108
15G25.6Very low29.1Very low61 Ų61143.9 Ų143.963%0.62980%0.804SS**  trans-73.1127.2171.900000111.2W13W13-G15 PolarHBondContact O-N 2.94Å
16V29.1Very low29Very low122 Ų122145.6 Ų145.674%0.73980%0.804SS**  trans-90.793.4156.6-178.50000106.1F18V16-F18 HydrophobicContact CG1-CD2 3.9Å; V16-F18 HydrophobicContact CG1-CE2 3.79Å; V16-F18 PolarHBondContact O-N 3.27Å
17L27Very low28.9Very low147 Ų147151 Ų15177%0.7781%0.809SS**  trans-71.4107.7168.3-91.193.2000108.5T19L17-T19 HydrophobicContact CB-CG2 4.46Å; L17-T19 HydrophobicContact CD2-CG2 4.32Å; L17-T19 PolarHBondContact O-N 3.13Å
18F26.8Very low28.6Very low193 Ų193155.1 Ų155.185%0.84682%0.815SS**  trans-82.393.6157.4-89.3-83.7000108.5V16 C20V16-F18 HydrophobicContact CG1-CD2 3.9Å; V16-F18 HydrophobicContact CG1-CE2 3.79Å; V16-F18 PolarHBondContact O-N 3.27Å; F18-C20 PolarHBondContact O-N 2.96Å
19T26.6Very low28.4Very low105 Ų105159.7 Ų159.764%0.64482%0.815SS**  trans-72.7109.8168.750.90000109.2L17 L21L17-T19 HydrophobicContact CB-CG2 4.46Å; L17-T19 HydrophobicContact CD2-CG2 4.32Å; L17-T19 PolarHBondContact O-N 3.13Å; T19-L21 PolarHBondContact O-N 2.89Å
20C28.6Very low28.6Very low128 Ų128164.5 Ų164.587%0.86582%0.824SS**  trans-78.9107.1162.5-85.50000108.9F18F18-C20 PolarHBondContact O-N 2.96Å
21L30.3Very low28.7Very low153 Ų153164.1 Ų164.180%0.80182%0.817SS**  trans-67.2139166.7-86.8123.7000110.3T19T19-L21 PolarHBondContact O-N 2.89Å
22P31.4Very low28.9Very low122 Ų122162.8 Ų162.879%0.79282%0.821SS**  trans-75.4128.5169.428.1-29.6000110.7A24P22-A24 PolarHBondContact O-N 3.3Å
23A31.6Very low29.2Very low99 Ų99163.4 Ų163.482%0.81883%0.825SS**  trans-72.6109.7168.900000109.9R25A23-R25 PolarHBondContact O-N 2.97Å
24A30.6Very low29.5Very low98 Ų98163.7 Ų163.781%0.8183%0.826SS**  trans-67.8112.317100000110.2P22P22-A24 PolarHBondContact O-N 3.3Å
25R30.9Very low29.8Very low247 Ų247161.9 Ų161.993%0.93283%0.828SS**  trans-91.7105.7164.5-97.8-178.3174.3-174.5-0.9109.2A23 R27A23-R25 PolarHBondContact O-N 2.97Å; R25-R27 PolarHBondContact O-N 3.34Å
26T28.8Very low30Very low139 Ų139165.3 Ų165.385%0.85384%0.836SS**  trans-64.3114.5166.945.40000110.1
27R30.7Very low30.3Very low246 Ų246164.4 Ų164.493%0.92884%0.842SS**  trans-90.9107.6172.4-155.4176-172.5-174.62108.4R25 R29R25-R27 PolarHBondContact O-N 3.34Å; R27-R29 PolarHBondContact O-N 3.28Å
28K29.4Very low30.6Very low204 Ų204163.9 Ų163.989%0.88785%0.845SS**  trans-61.9121.2171.1-87.2-179.3174.81780109.2K30K28-K30 PolarHBondContact O-N 3.31Å
29R28.8Very low30.9Very low227 Ų227159.5 Ų159.586%0.85784%0.844SS**  trans-72.1115.4171.3-164.1178.5-173.8-172.6-0.1107.6R27R27-R29 PolarHBondContact O-N 3.28Å
30K31.4Very low31.3Very low200 Ų200162.4 Ų162.487%0.8786%0.855SS**  trans-107113.6168.4-143.7179.7-173.6-174.50107.1K28K28-K30 PolarHBondContact O-N 3.31Å
31E30.5Very low31.7Very low168 Ų168162 Ų16279%0.78585%0.851SS**  trans-78.9130.3177.3-151.9148-154.700108
32M31.5Very low32Very low179 Ų179161.8 Ų161.888%0.88286%0.856SS**  trans-139.6130.7171.2-113.5173.976.200109.5
33S32.2Very low32.2Very low117 Ų117159.5 Ų159.582%0.81885%0.854SS**  trans-66.3153.8-162.8-530000115Q35S33-Q35 PolarHBondContact O-N 3.39Å
34R31.6Very low32.6Very low248 Ų248161.2 Ų161.294%0.93686%0.855SS**  trans-53.4125.6167.1-77.4175.7168-177.3-4.3111.2
35Q32Very low33Very low196 Ų196162.2 Ų162.292%0.91686%0.856SS**  trans-138.9150.4152.7-73.7-171.8-14.500110.7S33S33-Q35 PolarHBondContact O-N 3.39Å
36T31Very low33.4Very low133 Ų133159.6 Ų159.682%0.81685%0.851SS**  trans-66.9155-158.7290000116.7
37A35.8Very low33.6Very low104 Ų104159 Ų15986%0.8685%0.851SS**  trans-68.3134.1173.500000112.1
38T31.7Very low34.1Very low136 Ų136152.7 Ų152.783%0.83484%0.842SS**  trans-137.5135.3166.3-5.60000108.9
39A34.4Very low34.7Very low100 Ų100148.7 Ų148.783%0.82684%0.837SS**PPolyproline II helixtrans-63.3143.1-16900000114.2
40L33.3Very low35.6Very low167 Ų167143.6 Ų143.687%0.87484%0.836SS**PPolyproline II helixtrans-76.7138.4169.1-102.184.9000110.8
41P37.3Very low36.2Very low118 Ų118142.8 Ų142.877%0.76684%0.836SS**PPolyproline II helixtrans-79.8138.4167.230.9-30000111.5G43P41-G43 PolarHBondContact O-N 3.04Å
42T37.5Very low36.8Very low150 Ų150146.4 Ų146.492%0.9284%0.842SS**  trans-66.1101.7169.239.30000110.6
43G34.9Very low37.7Very low73 Ų73144 Ų14475%0.75384%0.837SS**  trans-103.8110.7170.400000110.9P41 S45P41-G43 PolarHBondContact O-N 3.04Å; G43-S45 PolarHBondContact O-N 3.35Å
44T40.9Very low38.4Very low136 Ų136143.6 Ų143.683%0.83483%0.832SS**  trans-65.9106.8170.7470000110.2
45S37.8Very low39.1Very low119 Ų119136.3 Ų136.383%0.83283%0.825SS**  trans-87.6110.1172.4-168.70000109.8G43G43-S45 PolarHBondContact O-N 3.35Å
46K39Very low40.2Very low191 Ų191135.3 Ų135.383%0.8383%0.825SS**PPolyproline II helixtrans-82.1118.3171-70.7179.4177.2179.50108.5
47C32.9Very low41Very low126 Ų126135.3 Ų135.385%0.85182%0.824SS**PPolyproline II helixtrans-64.4130.1169.3-90.50000110.7
48P42Very low42Very low114 Ų114133.7 Ų133.774%0.7482%0.818SS**PPolyproline II helixtrans-75.3156.2163.9411.8000110.8
49P43.1Very low43.2Very low120 Ų120133.9 Ų133.978%0.77982%0.819SS**PPolyproline II helixtrans-73147.7-173.329.4-33.3000113.1Q51P49-Q51 PolarHBondContact O-N 2.98Å
50S46.2Very low44.6Very low120 Ų120135.5 Ų135.584%0.83982%0.819SS**  trans-31.2106.2174.6-1750000114.7
51Q45.4Very low46.5Very low183 Ų183130.1 Ų130.186%0.85580%0.799SS**  trans-74.1132161-76-177-15.700109.6P49 V53P49-Q51 PolarHBondContact O-N 2.98Å; Q51-V53 PolarHBondContact O-N 3.47Å
52R43.2Very low48.8Very low244 Ų244127 Ų12792%0.92178%0.779SS**  trans-62.9115.4-179.8-140.4178.7-88.6-158.9-5.2108.7
53V50.3Low51.4Low129 Ų129122.1 Ų122.178%0.78275%0.748SS**  trans-61.1129.8173.7-1720000108Q51 A55Q51-V53 PolarHBondContact O-N 3.47Å; V53-A55 PolarHBondContact O-N 3.23Å
54P46.3Very low53.9Low109 Ų109123.8 Ų123.871%0.70874%0.739SS**  trans-62.9124.6171.2-13.827.3000108.4L56P54-L56 PolarHBondContact O-N 3.47Å
55A47.1Very low56.2Low94 Ų94121.7 Ų121.778%0.77772%0.723SS**  trans-62.8107.9171.100000108.2V53 T57V53-A55 PolarHBondContact O-N 3.23Å; A55-T57 PolarHBondContact O-N 3.15Å
56L53.4Low58.8Low176 Ų176118.6 Ų118.692%0.92170%0.697SS**  trans-63.7101.9169.1-84.5158.4000107.6P54 G58P54-L56 PolarHBondContact O-N 3.47Å; L56-G58 PolarHBondContact O-N 2.91Å
57T48.8Very low61.4Low132 Ų132109.5 Ų109.581%0.8166%0.658SS**  trans-65.6113.5172.9440000109.6A55A55-T57 PolarHBondContact O-N 3.15Å
58G55.8Low64.2Low71 Ų71106.2 Ų106.273%0.73264%0.636SS**  trans67.877.914800000117.1L56L56-G58 PolarHBondContact O-N 2.91Å
59T56.9Low66.7Low139 Ų139105.8 Ų105.885%0.85363%0.627SS**  trans-133.773.4152.7-41.60000107.8A61T59-A61 PolarHBondContact O-N 2.77Å
60T64.8Low69.2Low135 Ų135100 Ų10083%0.82859%0.59SS**  trans-71.6106.2165.1490000106.3S62T60-S62 PolarHBondContact O-N 3.28Å
61A72.1Confident71.5Confident53 Ų5398.2 Ų98.244%0.43857%0.568SS.*  trans-51.9133.617100000108.7T59 L66T59-A61 PolarHBondContact O-N 2.77Å; A61-L66 HydrophobicContact CB-CD2 3.99Å; A61-L66 HydrophobicContact CB-CG 4.04Å
62S87.6Confident73.9Confident52 Ų5289.5 Ų89.536%0.36453%0.527SS..  trans-67.8155177.476.20000109.3T60 N64 D65 L66T60-S62 PolarHBondContact O-N 3.28Å; S62-N64 PolarHBondContact O-N 2.96Å; S62-D65 WeakPolarHBondContact CB-OD2 3.42Å; S62-D65 PolarHBondContact N-OD2 2.89Å; S62-D65 VanDerWaalsContact N-OD2 3.07Å; S62-D65 WeakPolarHBondContact O-CB 3.3Å; S62-D65 PolarHBondContact O-N 3.15Å; S62-D65 PolarHBondContact OG-N 2.95Å; S62-D65 PolarHBondContact OG-OD2 2.99Å; S62-L66 PolarHBondContact O-N 3.43Å
63N90.2Very high76.3Confident48 Ų4880.6 Ų80.626%0.25750%0.501SS..Hα-helixtrans-57.5-33.4177.7-179.274.8000112.1L66 A67 L126N63-L66 PolarHBondContact O-N 2.92Å; N63-A67 WeakPolarHBondContact O-CB 3.38Å; N63-A67 PolarHBondContact O-N 2.97Å; N63-L126 PolarHBondContact ND2-O 2.86Å; N63-L126 PolarHBondContact OD1-N 2.84Å
64N87.6Confident78.5Confident108 Ų10877.4 Ų77.458%0.57848%0.482SS*.Hα-helixtrans-66.7-42176.1-69-5.3000111.8S62 L66 A67 S68S62-N64 PolarHBondContact O-N 2.96Å; N64-L66 VanDerWaalsContact C-N 3.28Å; N64-L66 PolarHBondContact O-N 2.81Å; N64-A67 PolarHBondContact O-N 2.97Å; N64-S68 PolarHBondContact O-N 3.05Å
65D89.9Confident80.7Confident92 Ų9274.9 Ų74.949%0.49247%0.466SS..Hα-helixtrans-61.2-41.7175.2-56.9-42000110.4S62 S68S62-D65 WeakPolarHBondContact CB-OD2 3.42Å; S62-D65 PolarHBondContact N-OD2 2.89Å; S62-D65 VanDerWaalsContact N-OD2 3.07Å; S62-D65 WeakPolarHBondContact O-CB 3.3Å; S62-D65 PolarHBondContact O-N 3.15Å; S62-D65 PolarHBondContact OG-N 2.95Å; S62-D65 PolarHBondContact OG-OD2 2.99Å; D65-S68 PolarHBondContact O-N 2.95Å; D65-S68 PolarHBondContact O-OG 3.47Å
66L92.3Very high82.8Confident54 Ų5477.9 Ų77.928%0.28346%0.462SS..Hα-helixtrans-67.1-43177-66.5175.4000112.6A61 S62 N63 N64 S68 L69 F70 V125A61-L66 HydrophobicContact CB-CD2 3.99Å; A61-L66 HydrophobicContact CB-CG 4.04Å; S62-L66 PolarHBondContact O-N 3.43Å; N63-L66 PolarHBondContact O-N 2.92Å; N64-L66 VanDerWaalsContact C-N 3.28Å; N64-L66 PolarHBondContact O-N 2.81Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 2.76Å; L66-L69 HydrophobicContact CD2-CD1 4.28Å; L66-L69 WeakPolarHBondContact O-CB 3.17Å; L66-L69 PolarHBondContact O-N 3.01Å; L66-F70 VanDerWaalsContact O-CD2 3.22Å; L66-F70 WeakPolarHBondContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CE2 3.24Å; L66-V125 HydrophobicContact CB-CG1 4.28Å; L66-V125 HydrophobicContact CB-CG2 3.78Å; L66-V125 HydrophobicContact CD1-CG2 4.26Å
67A92.8Very high84.7Confident1 Ų172.3 Ų72.31%0.00843%0.433CS..Hα-helixtrans-62-38177.800000111.9N63 N64 L69 F70 Y78 V125 F127N63-A67 WeakPolarHBondContact O-CB 3.38Å; N63-A67 PolarHBondContact O-N 2.97Å; N64-A67 PolarHBondContact O-N 2.97Å; A67-L69 PolarHBondContact O-N 2.8Å; A67-F70 WeakPolarHBondContact O-CB 3.41Å; A67-F70 PolarHBondContact O-N 2.86Å; A67-Y78 HydrophobicContact CB-CE1 4.13Å; A67-Y78 WeakPolarHBondContact O-CD1 3.35Å; A67-Y78 WeakPolarHBondContact O-CE1 3.42Å; A67-V125 HydrophobicContact CB-CG1 3.94Å; A67-F127 HydrophobicContact CB-CD1 4.31Å
68S93.3Very high86.9Confident57 Ų5768 Ų6840%0.39940%0.402SS..Hα-helixtrans-59.8-27.2178.677.70000113.5N64 D65 L66 F70 E71N64-S68 PolarHBondContact O-N 3.05Å; D65-S68 PolarHBondContact O-N 2.95Å; D65-S68 PolarHBondContact O-OG 3.47Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 2.76Å; S68-F70 PolarHBondContact O-N 3.25Å; S68-F70 VanDerWaalsContact O-N 3.16Å; S68-E71 PolarHBondContact O-N 3.29Å; S68-E71 VanDerWaalsContact O-N 3.14Å
69L93.8Very high88.7Confident104 Ų10464.7 Ų64.755%0.54537%0.368SS..THydrogen-bonded Turntrans-65.1-17.3175.8-58.7176000113.1L66 A67L66-L69 HydrophobicContact CD2-CD1 4.28Å; L66-L69 WeakPolarHBondContact O-CB 3.17Å; L66-L69 PolarHBondContact O-N 3.01Å; A67-L69 PolarHBondContact O-N 2.8Å
70F95.8Very high90.5Very high0 Ų060.5 Ų60.50%034%0.34CS..THydrogen-bonded Turntrans-99.24.1179.3-62.3-96.6000112.4L66 A67 S68 C72 Y78 V79 I83 M118 V121 A122 V125 F127L66-F70 VanDerWaalsContact O-CD2 3.22Å; L66-F70 WeakPolarHBondContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CE2 3.24Å; A67-F70 WeakPolarHBondContact O-CB 3.41Å; A67-F70 PolarHBondContact O-N 2.86Å; S68-F70 PolarHBondContact O-N 3.25Å; S68-F70 VanDerWaalsContact O-N 3.16Å; F70-C72 PolarHBondContact O-N 3.11Å; F70-Y78 HydrophobicContact CB-CD1 4.27Å; F70-Y78 CarbonylContact O-C 3.55Å; F70-Y78 WeakPolarHBondContact O-CA 3.33Å; F70-V79 WeakPolarHBondContact O-CB 3.39Å; F70-V79 WeakPolarHBondContact O-CG2 3.34Å; F70-V79 PolarHBondContact O-N 3Å; F70-I83 HydrophobicContact CD1-CD1 3.66Å; F70-I83 HydrophobicContact CE1-CD1 3.44Å; F70-I83 VanDerWaalsContact CE1-CD1 3.44Å; F70-M118 HydrophobicContact CD1-CE 4.17Å; F70-M118 HydrophobicContact CD2-CE 4.46Å; F70-M118 HydrophobicContact CE1-CB 4.3Å; F70-M118 HydrophobicContact CE1-CE 3.57Å; F70-M118 WeakPolarHBondContact CE1-O 3.39Å; F70-M118 HydrophobicContact CE2-CE 3.9Å; F70-M118 HydrophobicContact CZ-CE 3.42Å; F70-M118 VanDerWaalsContact CZ-CE 3.42Å; F70-V121 HydrophobicContact CE2-CG1 4.22Å; F70-V121 HydrophobicContact CZ-CB 4.12Å; F70-V121 HydrophobicContact CZ-CG1 3.87Å; F70-A122 HydrophobicContact CE1-CB 3.74Å; F70-A122 HydrophobicContact CZ-CB 4.03Å; F70-V125 HydrophobicContact CE2-CG2 4.22Å; F70-F127 HydrophobicContact CB-CE1 3.83Å; F70-F127 HydrophobicContact CD1-CE1 4.43Å; F70-F127 HydrophobicContact CD1-CZ 4.31Å; F70-F127 AromaticContact CD2-CE1 3.86Å; F70-F127 HydrophobicContact CD2-CE1 3.86Å; F70-F127 HydrophobicContact CD2-CZ 4.09Å; F70-F127 HydrophobicContact CE2-CZ 4.38Å; F70-F127 AromaticContact CG-CE1 3.79Å; F70-F127 HydrophobicContact CG-CE1 3.79Å; F70-F127 HydrophobicContact CG-CZ 4.06Å
71E95.1Very high91.9Very high82 Ų8255.9 Ų55.938%0.38331%0.312SS..BIsolated β-bridgetrans-70.2131.4-179.1-72.2177.7-164.400112.2S68 Y78S68-E71 PolarHBondContact O-N 3.29Å; S68-E71 VanDerWaalsContact O-N 3.14Å; E71-Y78 HydrophobicContact CG-CD1 3.95Å; E71-Y78 HydrophobicContact CG-CE1 3.6Å
72C94.9Very high92.9Very high0 Ų056.9 Ų56.90%031%0.314CS..  trans-75.7124.1173.5-179.30000109.5F70 V74 F76 D77 V79 C93F70-C72 PolarHBondContact O-N 3.11Å; C72-V74 PolarHBondContact O-N 2.84Å; C72-F76 VanDerWaalsContact O-CA 3.27Å; C72-F76 WeakPolarHBondContact O-CA 3.45Å; C72-F76 PolarHBondContact O-N 3.18Å; C72-D77 WeakPolarHBondContact CB-O 3.23Å; C72-D77 PolarHBondContact N-O 2.86Å; C72-V79 HydrophobicContact CB-CG2 3.94Å; C72-C93 HydrophobicContact CB-CB 4.02Å; C72-C93 PolarHBondContact SG-N 2.86Å
73P94.7Very high93.3Very high57 Ų5754.4 Ų54.437%0.3730%0.297SS..THydrogen-bonded Turntrans-70-0.1-176.329.7-37.6000114.3L91 P104P73-L91 WeakPolarHBondContact CD-O 3.33Å; P73-P104 HydrophobicContact CG-CG 3.67Å
74V94.7Very high93.4Very high62 Ų6253.6 Ų53.638%0.37629%0.293SS..THydrogen-bonded Turntrans-106.2-48.6-176.6-178.70000111.8C72 C96 L100 P104C72-V74 PolarHBondContact O-N 2.84Å; V74-C96 HydrophobicContact CB-CB 4.1Å; V74-C96 HydrophobicContact CG1-CB 4.19Å; V74-C96 HydrophobicContact CG2-CB 4.48Å; V74-L100 HydrophobicContact CG2-CD1 4Å; V74-P104 HydrophobicContact CG2-CB 4.24Å; V74-P104 HydrophobicContact CG2-CG 3.95Å
75C93.5Very high93.8Very high56 Ų5650.3 Ų50.338%0.37827%0.274SS..THydrogen-bonded Turntrans-109.8-4.8-177.264.90000113.6D77C75-D77 PolarHBondContact O-N 3.34Å; C75-D77 VanDerWaalsContact O-N 3.14Å; C75-D77 VanDerWaalsContact SG-CB 3.57Å
76F91.6Very high94Very high157 Ų15746 Ų4669%0.68925%0.251SS*.  trans5820.7-176.1-52.3-79.6000114.2C72C72-F76 VanDerWaalsContact O-CA 3.27Å; C72-F76 WeakPolarHBondContact O-CA 3.45Å; C72-F76 PolarHBondContact O-N 3.18Å
77D92.4Very high94.1Very high58 Ų5850 Ų5031%0.3127%0.268SS..  trans-97.5161.7172.2-160.8-2000109.9C72 C75C72-D77 WeakPolarHBondContact CB-O 3.23Å; C72-D77 PolarHBondContact N-O 2.86Å; C75-D77 PolarHBondContact O-N 3.34Å; C75-D77 VanDerWaalsContact O-N 3.14Å; C75-D77 VanDerWaalsContact SG-CB 3.57Å
78Y94.4Very high94.2Very high41 Ų4153.7 Ų53.716%0.16129%0.294CS..BIsolated β-bridgetrans-78.2136.2-175.7-61.2-74.2000112.3A67 F70 E71 L80 F127 P128A67-Y78 HydrophobicContact CB-CE1 4.13Å; A67-Y78 WeakPolarHBondContact O-CD1 3.35Å; A67-Y78 WeakPolarHBondContact O-CE1 3.42Å; F70-Y78 HydrophobicContact CB-CD1 4.27Å; F70-Y78 CarbonylContact O-C 3.55Å; F70-Y78 WeakPolarHBondContact O-CA 3.33Å; E71-Y78 HydrophobicContact CG-CD1 3.95Å; E71-Y78 HydrophobicContact CG-CE1 3.6Å; Y78-L80 PolarHBondContact O-N 3.34Å; Y78-F127 AromaticContact CD1-CD1 3.81Å; Y78-F127 HydrophobicContact CD1-CD1 3.81Å; Y78-F127 HydrophobicContact CD1-CE1 4.24Å; Y78-F127 HydrophobicContact CD2-CB 4.5Å; Y78-F127 HydrophobicContact CD2-CD1 4.28Å; Y78-F127 HydrophobicContact CE1-CD1 4.44Å; Y78-F127 AromaticContact CG-CD1 3.72Å; Y78-F127 HydrophobicContact CG-CD1 3.72Å; Y78-F127 HydrophobicContact CG-CE1 4.39Å; Y78-P128 HydrophobicContact CE2-CG 3.65Å; Y78-P128 WeakPolarHBondContact OH-CG 3.42Å
79V95.1Very high94.2Very high2 Ų252.6 Ų52.61%0.01229%0.292CS..  trans-80.893173.6-175.50000108.3F70 C72 I83 L91 C93F70-V79 WeakPolarHBondContact O-CB 3.39Å; F70-V79 WeakPolarHBondContact O-CG2 3.34Å; F70-V79 PolarHBondContact O-N 3Å; C72-V79 HydrophobicContact CB-CG2 3.94Å; V79-I83 HydrophobicContact CG1-CG1 4.38Å; V79-I83 HydrophobicContact CG1-CG2 4.01Å; V79-I83 WeakPolarHBondContact O-CD1 3.46Å; V79-L91 HydrophobicContact CB-CB 4.4Å; V79-L91 HydrophobicContact CG1-CB 4.34Å; V79-L91 HydrophobicContact CG2-CB 4.09Å; V79-C93 HydrophobicContact CG2-CB 4.05Å
80L94.1Very high94.3Very high51 Ų5150.8 Ų50.827%0.26728%0.28SS..PPolyproline II helixtrans-88.3159.4178.4-53-177.7000111.7Y78 P82 F127 H142 K145Y78-L80 PolarHBondContact O-N 3.34Å; L80-P82 CarbonylContact O-C 3.6Å; L80-F127 HydrophobicContact CD2-CD1 4.08Å; L80-F127 HydrophobicContact CD2-CD2 4.04Å; L80-F127 HydrophobicContact CD2-CE1 4.07Å; L80-F127 HydrophobicContact CD2-CE2 4.04Å; L80-F127 HydrophobicContact CD2-CG 4.06Å; L80-F127 HydrophobicContact CD2-CZ 4.05Å; L80-H142 HydrophobicContact CB-CB 4.46Å; L80-H142 HydrophobicContact CD1-CB 4.32Å; L80-H142 HydrophobicContact CD2-CB 3.83Å; L80-H142 HydrophobicContact CG-CB 4.41Å; L80-K145 HydrophobicContact CD1-CD 4.02Å
81P93.4Very high94.3Very high39 Ų3951.7 Ų51.725%0.25329%0.285SS..SBendtrans-52.4139175.1-28.837.7000113.8I83 E119 A122P81-I83 HydrophobicContact CG-CD1 4.31Å; P81-I83 HydrophobicContact CG-CG1 4.21Å; P81-E119 HydrophobicContact CB-CG 4.08Å; P81-E119 HydrophobicContact CG-CB 4.37Å; P81-E119 HydrophobicContact CG-CG 4.14Å; P81-A122 HydrophobicContact CG-CB 4.11Å
82P93.7Very high94.2Very high73 Ų7348 Ų4847%0.47427%0.268SS..SBendcis-71.6126.3-1.429.3-34.6000112.9L80 E119L80-P82 CarbonylContact O-C 3.6Å; P82-E119 VanDerWaalsContact CA-OE1 3.3Å; P82-E119 WeakPolarHBondContact CA-OE1 3.31Å
83I95Very high94.2Very high0 Ų048.4 Ų48.40%027%0.271CS..PPolyproline II helixtrans-89127.8-173.9-62.2-177000109.6F70 V79 P81 L91 R114 N115 M118 E119 A122F70-I83 HydrophobicContact CD1-CD1 3.66Å; F70-I83 HydrophobicContact CE1-CD1 3.44Å; F70-I83 VanDerWaalsContact CE1-CD1 3.44Å; V79-I83 HydrophobicContact CG1-CG1 4.38Å; V79-I83 HydrophobicContact CG1-CG2 4.01Å; V79-I83 WeakPolarHBondContact O-CD1 3.46Å; P81-I83 HydrophobicContact CG-CD1 4.31Å; P81-I83 HydrophobicContact CG-CG1 4.21Å; I83-L91 HydrophobicContact CG2-CD1 4.04Å; I83-L91 HydrophobicContact CG2-CD2 3.69Å; I83-L91 HydrophobicContact CG2-CG 4.43Å; I83-R114 CarbonylContact O-C 3.59Å; I83-R114 WeakPolarHBondContact O-CA 3.24Å; I83-N115 HydrophobicContact CG2-CB 4.21Å; I83-N115 PolarHBondContact O-N 2.79Å; I83-M118 HydrophobicContact CD1-CB 4.07Å; I83-M118 HydrophobicContact CG2-CB 4.06Å; I83-E119 HydrophobicContact CB-CG 3.87Å; I83-E119 HydrophobicContact CD1-CG 4.22Å; I83-E119 HydrophobicContact CG1-CG 3.88Å; I83-E119 PolarHBondContact N-OE1 2.81Å; I83-A122 HydrophobicContact CD1-CB 4.11Å
84L93.5Very high94Very high32 Ų3249.4 Ų49.417%0.16828%0.279CS..EExtended strand (participates in β ladder)trans-118135.8-172.5-70.3179.2000110.7R97 I113 R114L84-R97 VanDerWaalsContact CG-NH1 3.26Å; L84-I113 WeakPolarHBondContact CA-O 3.49Å; L84-R114 HydrophobicContact CD2-CB 4.17Å; L84-R114 HydrophobicContact CD2-CG 4.45Å
85Q94.9Very high93.9Very high38 Ų3851.8 Ų51.818%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-125.2156179.866.4-175.4-29.300112.4H90 L91 R97 I113 N115Q85-H90 CarbonylContact C-O 3.53Å; Q85-H90 VanDerWaalsContact CA-O 3.27Å; Q85-H90 WeakPolarHBondContact CA-O 3.43Å; Q85-L91 HydrophobicContact CB-CD2 3.92Å; Q85-R97 PolarHBondContact O-NH2 3.3Å; Q85-R97 VanDerWaalsContact O-NH2 3.1Å; Q85-I113 HydrophobicContact CG-CB 3.99Å; Q85-I113 HydrophobicContact CG-CG2 3.81Å; Q85-I113 PolarHBondContact N-O 2.87Å; Q85-N115 HydrophobicContact CB-CB 4.5Å; Q85-N115 HydrophobicContact CG-CB 4.18Å; Q85-N115 PolarHBondContact NE2-ND2 2.75Å; Q85-N115 PolarHBondContact OE1-ND2 2.84Å; Q85-N115 VanDerWaalsContact OE1-ND2 3.11Å
86C95.2Very high93.9Very high2 Ų249.5 Ų49.51%0.01427%0.274CS..  trans-77.8174.4164.578.70000111.4S88 G89 H90 C103 C106 L110C86-S88 PolarHBondContact O-N 2.86Å; C86-S88 VanDerWaalsContact O-N 3.1Å; C86-S88 PolarHBondContact SG-N 2.88Å; C86-S88 VanDerWaalsContact SG-N 3.4Å; C86-G89 PolarHBondContact O-N 3.01Å; C86-H90 PolarHBondContact N-O 2.88Å; C86-H90 PolarHBondContact SG-N 3.36Å; C86-H90 VanDerWaalsContact SG-N 3.43Å; C86-C103 HydrophobicContact CB-CB 3.95Å; C86-C103 VanDerWaalsContact SG-SG 3.66Å; C86-C106 VanDerWaalsContact SG-SG 3.64Å; C86-L110 WeakPolarHBondContact CA-O 3.46Å; C86-L110 HydrophobicContact CB-CD2 4.36Å
87Q93.9Very high94Very high138 Ų13843.4 Ų43.465%0.64525%0.247SC*.THydrogen-bonded Turntrans-59.6-22.6178.3-68.41804.100114P109 I113Q87-P109 VanDerWaalsContact CD-CG 3.45Å; Q87-P109 HydrophobicContact CG-CG 4.19Å; Q87-I113 HydrophobicContact CG-CD1 3.98Å
88S94.4Very high94Very high79 Ų7945.7 Ų45.755%0.55227%0.265SS*.THydrogen-bonded Turntrans-94.82.4177.5-47.20000113.8C86 C106C86-S88 PolarHBondContact O-N 2.86Å; C86-S88 VanDerWaalsContact O-N 3.1Å; C86-S88 PolarHBondContact SG-N 2.88Å; C86-S88 VanDerWaalsContact SG-N 3.4Å; S88-C106 PolarHBondContact OG-SG 3.09Å
89G93.7Very high94Very high34 Ų3452 Ų5235%0.35129%0.293SS..  trans931.8175.700000117C86C86-G89 PolarHBondContact O-N 3.01Å
90H95.8Very high93.8Very high66 Ų6654.4 Ų54.431%0.30631%0.306SS..  trans-77.9138.1178.9-57.1106.1000112.2Q85 C86 T105Q85-H90 CarbonylContact C-O 3.53Å; Q85-H90 VanDerWaalsContact CA-O 3.27Å; Q85-H90 WeakPolarHBondContact CA-O 3.43Å; C86-H90 PolarHBondContact N-O 2.88Å; C86-H90 PolarHBondContact SG-N 3.36Å; C86-H90 VanDerWaalsContact SG-N 3.43Å; H90-T105 VanDerWaalsContact CD2-CG2 3.47Å; H90-T105 WeakPolarHBondContact CD2-CG2 3.41Å; H90-T105 WeakPolarHBondContact NE2-CG2 3.5Å
91L95.6Very high93.8Very high19 Ų1958.8 Ų58.810%0.09934%0.335CS..BIsolated β-bridgetrans-90.4143.7-178.3-52.3-173.6000111.8P73 V79 I83 Q85 M118P73-L91 WeakPolarHBondContact CD-O 3.33Å; V79-L91 HydrophobicContact CB-CB 4.4Å; V79-L91 HydrophobicContact CG1-CB 4.34Å; V79-L91 HydrophobicContact CG2-CB 4.09Å; I83-L91 HydrophobicContact CG2-CD1 4.04Å; I83-L91 HydrophobicContact CG2-CD2 3.69Å; I83-L91 HydrophobicContact CG2-CG 4.43Å; Q85-L91 HydrophobicContact CB-CD2 3.92Å; L91-M118 HydrophobicContact CD1-CE 4.22Å
92V94.8Very high93.8Very high4 Ų459.3 Ų59.32%0.02434%0.339CS..  trans-142.7135.1170.7179.90000107.9C96 R97 L100 P104 L110V92-C96 HydrophobicContact CG1-CB 3.79Å; V92-R97 HydrophobicContact CG1-CB 4.32Å; V92-L100 HydrophobicContact CG1-CD1 3.85Å; V92-P104 HydrophobicContact CG2-CG 4.02Å; V92-L110 HydrophobicContact CG2-CD2 4.07Å
93C93.6Very high93.9Very high9 Ų955.9 Ų55.96%0.06132%0.316CS..  trans-66157.2-178.473.20000112.1C72 V79 N95 C96 R97C72-C93 HydrophobicContact CB-CB 4.02Å; C72-C93 PolarHBondContact SG-N 2.86Å; V79-C93 HydrophobicContact CG2-CB 4.05Å; C93-N95 PolarHBondContact O-N 3.28Å; C93-C96 PolarHBondContact O-N 2.85Å; C93-C96 PolarHBondContact SG-N 3.27Å; C93-C96 VanDerWaalsContact SG-N 3.42Å; C93-R97 WeakPolarHBondContact O-CB 3.36Å; C93-R97 PolarHBondContact O-N 3.22Å
94S91.5Very high93.9Very high78 Ų7858.5 Ų58.555%0.54533%0.334SS..THydrogen-bonded Turntrans-56.3-32.8178.751.80000113.1P98S94-P98 WeakPolarHBondContact O-CD 3.43Å
95N91.8Very high94Very high111 Ų11160.7 Ų60.759%0.59435%0.348SS*.THydrogen-bonded Turntrans-74.7-34.1-179.7-69.5-18.5000113.7C93 K99C93-N95 PolarHBondContact O-N 3.28Å; N95-K99 WeakPolarHBondContact O-CE 3.33Å
96C93.9Very high94.1Very high9 Ų961.1 Ų61.16%0.06136%0.355CS..THydrogen-bonded Turntrans-87.1-35.7-179-72.30000111.9V74 V92 C93 P98 K99 L100V74-C96 HydrophobicContact CB-CB 4.1Å; V74-C96 HydrophobicContact CG1-CB 4.19Å; V74-C96 HydrophobicContact CG2-CB 4.48Å; V92-C96 HydrophobicContact CG1-CB 3.79Å; C93-C96 PolarHBondContact O-N 2.85Å; C93-C96 PolarHBondContact SG-N 3.27Å; C93-C96 VanDerWaalsContact SG-N 3.42Å; C96-P98 VanDerWaalsContact C-CD 3.49Å; C96-K99 WeakPolarHBondContact O-CB 3.25Å; C96-K99 PolarHBondContact O-N 2.94Å; C96-L100 WeakPolarHBondContact O-CG 3.34Å
97R92.6Very high94.1Very high28 Ų2871.2 Ų71.211%0.10639%0.393CS..G310 helixtrans-49.6-48.1-176.5-164178-160.6169.425.4115L84 Q85 V92 C93 K99 L100 L110 G111L84-R97 VanDerWaalsContact CG-NH1 3.26Å; Q85-R97 PolarHBondContact O-NH2 3.3Å; Q85-R97 VanDerWaalsContact O-NH2 3.1Å; V92-R97 HydrophobicContact CG1-CB 4.32Å; C93-R97 WeakPolarHBondContact O-CB 3.36Å; C93-R97 PolarHBondContact O-N 3.22Å; R97-K99 PolarHBondContact O-N 3.03Å; R97-L100 PolarHBondContact O-N 3.03Å; R97-L100 VanDerWaalsContact O-N 3.17Å; R97-L110 HydrophobicContact CG-CD1 4.39Å; R97-L110 PolarHBondContact NH2-O 3.46Å; R97-G111 PolarHBondContact NE-O 2.73Å; R97-G111 PolarHBondContact NH2-O 2.94Å
98P92.6Very high94Very high107 Ų10765.5 Ų65.570%0.69537%0.371SS*.G310 helixtrans-67.8-16.1-178.426.9-35.5000113.6S94 C96 L100S94-P98 WeakPolarHBondContact O-CD 3.43Å; C96-P98 VanDerWaalsContact C-CD 3.49Å; P98-L100 VanDerWaalsContact C-N 3.33Å
99K94.1Very high93.9Very high172 Ų17265 Ų6575%0.74837%0.366SS*.G310 helixtrans-88.3-2.8179-54.7176.1-174.1174.20112.5N95 C96 R97N95-K99 WeakPolarHBondContact O-CE 3.33Å; C96-K99 WeakPolarHBondContact O-CB 3.25Å; C96-K99 PolarHBondContact O-N 2.94Å; R97-K99 PolarHBondContact O-N 3.03Å
100L92.7Very high93.7Very high53 Ų5364.1 Ų64.128%0.27735%0.353SS..  trans-119.1141-172.1-59.8172.1000111.2V74 V92 C96 R97 P98 P104 L110V74-L100 HydrophobicContact CG2-CD1 4Å; V92-L100 HydrophobicContact CG1-CD1 3.85Å; C96-L100 WeakPolarHBondContact O-CG 3.34Å; R97-L100 PolarHBondContact O-N 3.03Å; R97-L100 VanDerWaalsContact O-N 3.17Å; P98-L100 VanDerWaalsContact C-N 3.33Å; L100-P104 HydrophobicContact CD1-CG 4.42Å; L100-L110 HydrophobicContact CB-CD1 3.66Å
101T92.8Very high93.1Very high143 Ų14363.2 Ų63.288%0.87736%0.361SS*.SBendtrans-94.5-25.1175.353.90000112.7
102C94.1Very high92.7Very high51 Ų5167.1 Ų67.135%0.34539%0.39SS..SBendtrans-143.2166.1178.2660000111.6
103C95.8Very high92.7Very high0 Ų070.3 Ų70.30%041%0.406CS..  trans-65.1126.8179176.70000110.3C86 T105 R107 G108 L110C86-C103 HydrophobicContact CB-CB 3.95Å; C86-C103 VanDerWaalsContact SG-SG 3.66Å; C103-T105 PolarHBondContact O-N 2.87Å; C103-R107 WeakPolarHBondContact O-CA 3.43Å; C103-R107 PolarHBondContact O-N 3.07Å; C103-G108 WeakPolarHBondContact CB-O 3.37Å; C103-G108 PolarHBondContact N-O 2.84Å; C103-L110 HydrophobicContact CB-CD2 4.01Å; C103-L110 HydrophobicContact CB-CG 4.46Å
104P94.9Very high92.7Very high56 Ų5676.4 Ų76.436%0.36443%0.428SS..THydrogen-bonded Turntrans-65.1-27-178.626.4-34.1000112.5P73 V74 V92 L100P73-P104 HydrophobicContact CG-CG 3.67Å; V74-P104 HydrophobicContact CG2-CB 4.24Å; V74-P104 HydrophobicContact CG2-CG 3.95Å; V92-P104 HydrophobicContact CG2-CG 4.02Å; L100-P104 HydrophobicContact CD1-CG 4.42Å
105T95.1Very high92.9Very high77 Ų7773.8 Ų73.847%0.47241%0.408SS..THydrogen-bonded Turntrans-85.3-51.9-177.7-41.30000112.8H90 C103H90-T105 VanDerWaalsContact CD2-CG2 3.47Å; H90-T105 WeakPolarHBondContact CD2-CG2 3.41Å; H90-T105 WeakPolarHBondContact NE2-CG2 3.5Å; C103-T105 PolarHBondContact O-N 2.87Å
106C96.4Very high93.1Very high47 Ų4773.6 Ų73.632%0.31841%0.406SS..THydrogen-bonded Turntrans-108-2.7-175.2690000115.3C86 S88 G108C86-C106 VanDerWaalsContact SG-SG 3.64Å; S88-C106 PolarHBondContact OG-SG 3.09Å; C106-G108 PolarHBondContact O-N 3.08Å
107R95.4Very high93.2Very high215 Ų21576.2 Ų76.281%0.81143%0.428SS*.  trans59.88-175.1-52.2179.9-178.3-176.1-0.2115C103C103-R107 WeakPolarHBondContact O-CA 3.43Å; C103-R107 PolarHBondContact O-N 3.07Å
108G93.3Very high93.3Very high17 Ų1776.7 Ų76.718%0.17543%0.432CS..SBendtrans-76.1172.3175.200000113.2C103 C106 L110C103-G108 WeakPolarHBondContact CB-O 3.37Å; C103-G108 PolarHBondContact N-O 2.84Å; C106-G108 PolarHBondContact O-N 3.08Å; G108-L110 PolarHBondContact O-N 2.9Å
109P92.4Very high93.5Very high70 Ų7072.5 Ų72.546%0.45540%0.404SS..  trans-63.9131.917627.8-35.1000110.8Q87Q87-P109 VanDerWaalsContact CD-CG 3.45Å; Q87-P109 HydrophobicContact CG-CG 4.19Å
110L88.1Confident93.5Very high15 Ų1571.7 Ų71.78%0.07940%0.4CS..  trans-68-34.7178.4-79.8166.3000112C86 V92 R97 L100 C103 G108C86-L110 WeakPolarHBondContact CA-O 3.46Å; C86-L110 HydrophobicContact CB-CD2 4.36Å; V92-L110 HydrophobicContact CG2-CD2 4.07Å; R97-L110 HydrophobicContact CG-CD1 4.39Å; R97-L110 PolarHBondContact NH2-O 3.46Å; L100-L110 HydrophobicContact CB-CD1 3.66Å; C103-L110 HydrophobicContact CB-CD2 4.01Å; C103-L110 HydrophobicContact CB-CG 4.46Å; G108-L110 PolarHBondContact O-N 2.9Å
111G84.3Confident93.6Very high46 Ų4672 Ų7247%0.47440%0.404SS..THydrogen-bonded Turntrans55.3-160.6-17600000113R97R97-G111 PolarHBondContact NE-O 2.73Å; R97-G111 PolarHBondContact NH2-O 2.94Å
112S87.6Confident93.7Very high102 Ų10265.2 Ų65.271%0.71336%0.362SS*.THydrogen-bonded Turntrans-134.255.8169.5-163.30000110.5
113I93.3Very high93.7Very high70 Ų7067.7 Ų67.736%0.35937%0.372SS..EExtended strand (participates in β ladder)trans-90.2119.5-178.3-54.7170.6000108.5L84 Q85 Q87L84-I113 WeakPolarHBondContact CA-O 3.49Å; Q85-I113 HydrophobicContact CG-CB 3.99Å; Q85-I113 HydrophobicContact CG-CG2 3.81Å; Q85-I113 PolarHBondContact N-O 2.87Å; Q87-I113 HydrophobicContact CG-CD1 3.98Å
114R95.1Very high93.5Very high137 Ų13772.7 Ų72.752%0.51741%0.407SS..EExtended strand (participates in β ladder)trans-87.1132175.4-168.8175172.3-177.1-4.2110.3I83 L84 L116 E119I83-R114 CarbonylContact O-C 3.59Å; I83-R114 WeakPolarHBondContact O-CA 3.24Å; L84-R114 HydrophobicContact CD2-CB 4.17Å; L84-R114 HydrophobicContact CD2-CG 4.45Å; R114-L116 HydrophobicContact CG-CD2 4.18Å; R114-E119 VanDerWaalsContact CG-OE1 3.24Å; R114-E119 WeakPolarHBondContact CG-OE1 3.43Å; R114-E119 IonicContact CZ-OE1 3.59Å; R114-E119 IonicContact CZ-OE2 3.43Å; R114-E119 IonicContact NE-OE1 3.72Å; R114-E119 PolarHBondContact NE-OE1 2.85Å; R114-E119 IonicContact NE-OE2 2.9Å; R114-E119 PolarHBondContact NE-OE2 2.9Å; R114-E119 IonicContact NH2-OE1 3.78Å; R114-E119 PolarHBondContact NH2-OE1 2.85Å; R114-E119 IonicContact NH2-OE2 3.73Å; R114-E119 PolarHBondContact NH2-OE2 2.95Å
115N95.4Very high93.6Very high24 Ų2470.1 Ų70.113%0.12839%0.39CS..  trans-10083.4-178.8-167.7-25.3000110.5I83 Q85 A117 M118 E119I83-N115 HydrophobicContact CG2-CB 4.21Å; I83-N115 PolarHBondContact O-N 2.79Å; Q85-N115 HydrophobicContact CB-CB 4.5Å; Q85-N115 HydrophobicContact CG-CB 4.18Å; Q85-N115 PolarHBondContact NE2-ND2 2.75Å; Q85-N115 PolarHBondContact OE1-ND2 2.84Å; Q85-N115 VanDerWaalsContact OE1-ND2 3.11Å; N115-A117 PolarHBondContact O-N 2.61Å; N115-A117 PolarHBondContact OD1-N 2.88Å; N115-M118 HydrophobicContact CB-CB 4.15Å; N115-M118 HydrophobicContact CB-CG 4.38Å; N115-M118 VanDerWaalsContact CG-CG 3.47Å; N115-M118 WeakPolarHBondContact ND2-CG 3.34Å; N115-M118 PolarHBondContact O-N 3.43Å; N115-M118 PolarHBondContact OD1-N 3.07Å; N115-E119 WeakPolarHBondContact O-CG 3.28Å; N115-E119 PolarHBondContact O-N 3.36Å; N115-E119 VanDerWaalsContact O-N 3.07Å
116L96.1Very high93.6Very high107 Ų10769.8 Ų69.856%0.5639%0.385SS*.Hα-helixtrans-61.3-27.4-179.8-58.6177.2000113.2R114 K120R114-L116 HydrophobicContact CG-CD2 4.18Å; L116-K120 WeakPolarHBondContact O-CG 3.31Å; L116-K120 PolarHBondContact O-N 3.29Å
117A95Very high93.6Very high63 Ų6367.6 Ų67.652%0.52137%0.37SS..Hα-helixtrans-69.3-47.7176.600000110.6N115 E119 K120 V121N115-A117 PolarHBondContact O-N 2.61Å; N115-A117 PolarHBondContact OD1-N 2.88Å; A117-E119 VanDerWaalsContact C-N 3.27Å; A117-E119 PolarHBondContact O-N 3.14Å; A117-K120 WeakPolarHBondContact O-CB 3.41Å; A117-K120 PolarHBondContact O-N 3.36Å; A117-K120 VanDerWaalsContact O-N 3.11Å; A117-V121 WeakPolarHBondContact O-CG2 3.38Å; A117-V121 PolarHBondContact O-N 2.94Å
118M95.4Very high93.6Very high38 Ų3858.4 Ų58.419%0.18734%0.339CS..Hα-helixtrans-65.2-31176.4-70.7-57.4-68.700112.5F70 I83 L91 N115 K120 V121 A122F70-M118 HydrophobicContact CD1-CE 4.17Å; F70-M118 HydrophobicContact CD2-CE 4.46Å; F70-M118 HydrophobicContact CE1-CB 4.3Å; F70-M118 HydrophobicContact CE1-CE 3.57Å; F70-M118 WeakPolarHBondContact CE1-O 3.39Å; F70-M118 HydrophobicContact CE2-CE 3.9Å; F70-M118 HydrophobicContact CZ-CE 3.42Å; F70-M118 VanDerWaalsContact CZ-CE 3.42Å; I83-M118 HydrophobicContact CD1-CB 4.07Å; I83-M118 HydrophobicContact CG2-CB 4.06Å; L91-M118 HydrophobicContact CD1-CE 4.22Å; N115-M118 HydrophobicContact CB-CB 4.15Å; N115-M118 HydrophobicContact CB-CG 4.38Å; N115-M118 VanDerWaalsContact CG-CG 3.47Å; N115-M118 WeakPolarHBondContact ND2-CG 3.34Å; N115-M118 PolarHBondContact O-N 3.43Å; N115-M118 PolarHBondContact OD1-N 3.07Å; M118-K120 VanDerWaalsContact C-N 3.35Å; M118-V121 PolarHBondContact O-N 2.98Å; M118-A122 WeakPolarHBondContact O-CB 3.42Å; M118-A122 PolarHBondContact O-N 3.07Å
119E95.7Very high93.6Very high20 Ų2057.8 Ų57.89%0.09333%0.332CS..Hα-helixtrans-63.3-40.4171.6-69.3177.8-170.400112.3P81 P82 I83 R114 N115 A117 V121 A122 N123P81-E119 HydrophobicContact CB-CG 4.08Å; P81-E119 HydrophobicContact CG-CB 4.37Å; P81-E119 HydrophobicContact CG-CG 4.14Å; P82-E119 VanDerWaalsContact CA-OE1 3.3Å; P82-E119 WeakPolarHBondContact CA-OE1 3.31Å; I83-E119 HydrophobicContact CB-CG 3.87Å; I83-E119 HydrophobicContact CD1-CG 4.22Å; I83-E119 HydrophobicContact CG1-CG 3.88Å; I83-E119 PolarHBondContact N-OE1 2.81Å; R114-E119 VanDerWaalsContact CG-OE1 3.24Å; R114-E119 WeakPolarHBondContact CG-OE1 3.43Å; R114-E119 IonicContact CZ-OE1 3.59Å; R114-E119 IonicContact CZ-OE2 3.43Å; R114-E119 IonicContact NE-OE1 3.72Å; R114-E119 PolarHBondContact NE-OE1 2.85Å; R114-E119 IonicContact NE-OE2 2.9Å; R114-E119 PolarHBondContact NE-OE2 2.9Å; R114-E119 IonicContact NH2-OE1 3.78Å; R114-E119 PolarHBondContact NH2-OE1 2.85Å; R114-E119 IonicContact NH2-OE2 3.73Å; R114-E119 PolarHBondContact NH2-OE2 2.95Å; N115-E119 WeakPolarHBondContact O-CG 3.28Å; N115-E119 PolarHBondContact O-N 3.36Å; N115-E119 VanDerWaalsContact O-N 3.07Å; A117-E119 VanDerWaalsContact C-N 3.27Å; A117-E119 PolarHBondContact O-N 3.14Å; E119-V121 VanDerWaalsContact C-N 3.33Å; E119-A122 PolarHBondContact O-N 2.8Å; E119-N123 PolarHBondContact O-N 2.98Å
120K94.9Very high93.6Very high155 Ų15558.8 Ų58.867%0.67433%0.329SS*.Hα-helixtrans-65.1-38.8174.2-71.7178.5179.2-175.50111.9L116 A117 M118 N123L116-K120 WeakPolarHBondContact O-CG 3.31Å; L116-K120 PolarHBondContact O-N 3.29Å; A117-K120 WeakPolarHBondContact O-CB 3.41Å; A117-K120 PolarHBondContact O-N 3.36Å; A117-K120 VanDerWaalsContact O-N 3.11Å; M118-K120 VanDerWaalsContact C-N 3.35Å; K120-N123 WeakPolarHBondContact O-CB 3.42Å; K120-N123 PolarHBondContact O-N 3Å
121V94.6Very high93.8Very high59 Ų5959.6 Ų59.636%0.35833%0.331SS..Hα-helixtrans-64.9-42.3175.5178.20000110.5F70 A117 M118 E119 N123 S124 V125F70-V121 HydrophobicContact CE2-CG1 4.22Å; F70-V121 HydrophobicContact CZ-CB 4.12Å; F70-V121 HydrophobicContact CZ-CG1 3.87Å; A117-V121 WeakPolarHBondContact O-CG2 3.38Å; A117-V121 PolarHBondContact O-N 2.94Å; M118-V121 PolarHBondContact O-N 2.98Å; E119-V121 VanDerWaalsContact C-N 3.33Å; V121-N123 PolarHBondContact O-N 2.85Å; V121-N123 VanDerWaalsContact O-N 3.16Å; V121-S124 PolarHBondContact O-N 2.86Å; V121-V125 HydrophobicContact CG1-CG2 4.19Å; V121-V125 WeakPolarHBondContact O-CG2 3.37Å; V121-V125 PolarHBondContact O-N 3.11Å
122A94.6Very high94.2Very high0 Ų059.6 Ų59.60%033%0.326CS..Hα-helixtrans-58-29.8178.500000113.1F70 P81 I83 M118 E119 S124 V125 F127F70-A122 HydrophobicContact CE1-CB 3.74Å; F70-A122 HydrophobicContact CZ-CB 4.03Å; P81-A122 HydrophobicContact CG-CB 4.11Å; I83-A122 HydrophobicContact CD1-CB 4.11Å; M118-A122 WeakPolarHBondContact O-CB 3.42Å; M118-A122 PolarHBondContact O-N 3.07Å; E119-A122 PolarHBondContact O-N 2.8Å; A122-S124 PolarHBondContact O-N 2.79Å; A122-V125 PolarHBondContact O-N 2.87Å; A122-F127 HydrophobicContact CB-CE2 4.34Å; A122-F127 HydrophobicContact CB-CZ 4.14Å
123N93.9Very high94.4Very high104 Ų10460.3 Ų60.356%0.55633%0.331SS*.THydrogen-bonded Turntrans-66.3-17.4175.2-67-27.7000113.8E119 K120 V121 H142E119-N123 PolarHBondContact O-N 2.98Å; K120-N123 WeakPolarHBondContact O-CB 3.42Å; K120-N123 PolarHBondContact O-N 3Å; V121-N123 PolarHBondContact O-N 2.85Å; V121-N123 VanDerWaalsContact O-N 3.16Å; N123-H142 PolarHBondContact OD1-NE2 2.78Å
124S93.1Very high94.1Very high104 Ų10460 Ų6073%0.72734%0.335SS*.THydrogen-bonded Turntrans-109.75.2-179.6-55.40000113V121 A122V121-S124 PolarHBondContact O-N 2.86Å; A122-S124 PolarHBondContact O-N 2.79Å
125V95.3Very high94Very high3 Ų355.1 Ų55.12%0.01833%0.328CS..  trans-112.5135-179.8177.30000109.1L66 A67 F70 V121 A122 F127L66-V125 HydrophobicContact CB-CG1 4.28Å; L66-V125 HydrophobicContact CB-CG2 3.78Å; L66-V125 HydrophobicContact CD1-CG2 4.26Å; A67-V125 HydrophobicContact CB-CG1 3.94Å; F70-V125 HydrophobicContact CE2-CG2 4.22Å; V121-V125 HydrophobicContact CG1-CG2 4.19Å; V121-V125 WeakPolarHBondContact O-CG2 3.37Å; V121-V125 PolarHBondContact O-N 3.11Å; A122-V125 PolarHBondContact O-N 2.87Å; V125-F127 HydrophobicContact CB-CE2 4.15Å; V125-F127 HydrophobicContact CB-CZ 4.07Å; V125-F127 HydrophobicContact CG1-CD1 4.49Å; V125-F127 HydrophobicContact CG1-CE1 4.09Å; V125-F127 HydrophobicContact CG1-CE2 4.21Å; V125-F127 HydrophobicContact CG1-CZ 3.94Å; V125-F127 WeakPolarHBondContact O-CE2 3.39Å
126L95.9Very high93.9Very high70 Ų7054.2 Ų54.237%0.36632%0.323SS..PPolyproline II helixtrans-91.5130.8169.4-55.8175.8000108.8N63 L140 P141N63-L126 PolarHBondContact ND2-O 2.86Å; N63-L126 PolarHBondContact OD1-N 2.84Å; L126-L140 CarbonylContact C-O 3.58Å; L126-L140 WeakPolarHBondContact CA-O 3.29Å; L126-P141 HydrophobicContact CD2-CG 3.89Å
127F95.6Very high93.9Very high0 Ų057.9 Ų57.90%034%0.338CS..EExtended strand (participates in β ladder)trans-102.8132.8179.9-62.9-85.1000109.3A67 F70 Y78 L80 A122 V125 T139 L140 H142 K145A67-F127 HydrophobicContact CB-CD1 4.31Å; F70-F127 HydrophobicContact CB-CE1 3.83Å; F70-F127 HydrophobicContact CD1-CE1 4.43Å; F70-F127 HydrophobicContact CD1-CZ 4.31Å; F70-F127 AromaticContact CD2-CE1 3.86Å; F70-F127 HydrophobicContact CD2-CE1 3.86Å; F70-F127 HydrophobicContact CD2-CZ 4.09Å; F70-F127 HydrophobicContact CE2-CZ 4.38Å; F70-F127 AromaticContact CG-CE1 3.79Å; F70-F127 HydrophobicContact CG-CE1 3.79Å; F70-F127 HydrophobicContact CG-CZ 4.06Å; Y78-F127 AromaticContact CD1-CD1 3.81Å; Y78-F127 HydrophobicContact CD1-CD1 3.81Å; Y78-F127 HydrophobicContact CD1-CE1 4.24Å; Y78-F127 HydrophobicContact CD2-CB 4.5Å; Y78-F127 HydrophobicContact CD2-CD1 4.28Å; Y78-F127 HydrophobicContact CE1-CD1 4.44Å; Y78-F127 AromaticContact CG-CD1 3.72Å; Y78-F127 HydrophobicContact CG-CD1 3.72Å; Y78-F127 HydrophobicContact CG-CE1 4.39Å; L80-F127 HydrophobicContact CD2-CD1 4.08Å; L80-F127 HydrophobicContact CD2-CD2 4.04Å; L80-F127 HydrophobicContact CD2-CE1 4.07Å; L80-F127 HydrophobicContact CD2-CE2 4.04Å; L80-F127 HydrophobicContact CD2-CG 4.06Å; L80-F127 HydrophobicContact CD2-CZ 4.05Å; A122-F127 HydrophobicContact CB-CE2 4.34Å; A122-F127 HydrophobicContact CB-CZ 4.14Å; V125-F127 HydrophobicContact CB-CE2 4.15Å; V125-F127 HydrophobicContact CB-CZ 4.07Å; V125-F127 HydrophobicContact CG1-CD1 4.49Å; V125-F127 HydrophobicContact CG1-CE1 4.09Å; V125-F127 HydrophobicContact CG1-CE2 4.21Å; V125-F127 HydrophobicContact CG1-CZ 3.94Å; V125-F127 WeakPolarHBondContact O-CE2 3.39Å; F127-T139 WeakPolarHBondContact O-CA 3.44Å; F127-L140 PolarHBondContact N-O 3.01Å; F127-L140 PolarHBondContact O-N 3.04Å; F127-H142 HydrophobicContact CD2-CB 3.99Å; F127-H142 HydrophobicContact CE2-CB 3.88Å; F127-K145 HydrophobicContact CB-CD 3.75Å
128P95.3Very high94Very high23 Ų2358.6 Ų58.615%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-65.4149173.827.4-31.9000110.6Y78 A132 T139 K145Y78-P128 HydrophobicContact CE2-CG 3.65Å; Y78-P128 WeakPolarHBondContact OH-CG 3.42Å; P128-A132 HydrophobicContact CB-CB 4.48Å; P128-T139 HydrophobicContact CB-CG2 4.08Å; P128-K145 PolarHBondContact O-NZ 3.33Å
129C94.9Very high94Very high4 Ų459.6 Ų59.63%0.02734%0.34CS..PPolyproline II helixtrans-55.9141.7172.1-1800000111Y131 A132 C136 I138 H148C129-Y131 PolarHBondContact O-N 2.86Å; C129-Y131 VanDerWaalsContact O-N 3.08Å; C129-Y131 VanDerWaalsContact SG-CD2 3.59Å; C129-Y131 PolarHBondContact SG-N 3.19Å; C129-A132 VanDerWaalsContact O-CB 3.24Å; C129-A132 WeakPolarHBondContact O-CB 3.25Å; C129-A132 PolarHBondContact O-N 2.99Å; C129-C136 HydrophobicContact CB-CB 4Å; C129-C136 VanDerWaalsContact CB-SG 3.53Å; C129-I138 PolarHBondContact N-O 2.89Å; C129-H148 PolarHBondContact SG-NE2 2.74Å; C129-H148 VanDerWaalsContact SG-NE2 3.43Å
130K91.9Very high94Very high91 Ų9160 Ų6040%0.39634%0.343SS..THydrogen-bonded Turntrans-61.3-19.3176.872.4-174.7169.8-1370113.5A132 E149K130-A132 VanDerWaalsContact C-N 3.3Å; K130-E149 VanDerWaalsContact CB-OE1 3.28Å; K130-E149 WeakPolarHBondContact CB-OE1 3.11Å; K130-E149 HydrophobicContact CD-CG 4.35Å; K130-E149 WeakPolarHBondContact CD-OE2 3.45Å; K130-E149 VanDerWaalsContact CE-OE2 3.26Å; K130-E149 WeakPolarHBondContact CE-OE2 3.31Å; K130-E149 VanDerWaalsContact CG-CD 3.5Å; K130-E149 HydrophobicContact CG-CG 4.08Å; K130-E149 WeakPolarHBondContact CG-OE1 3.26Å; K130-E149 PolarHBondContact N-OE1 3.4Å; K130-E149 IonicContact NZ-OE2 2.75Å; K130-E149 PolarHBondContact NZ-OE2 2.71Å
131Y92.4Very high94.1Very high32 Ų3254.5 Ų54.513%0.12532%0.323CS..THydrogen-bonded Turntrans-91.817.4175.7-49.1-61.8000113C129 S133 S134 G135 C136 E149 C152 R155 P156C129-Y131 PolarHBondContact O-N 2.86Å; C129-Y131 VanDerWaalsContact O-N 3.08Å; C129-Y131 VanDerWaalsContact SG-CD2 3.59Å; C129-Y131 PolarHBondContact SG-N 3.19Å; Y131-S133 PolarHBondContact O-N 2.82Å; Y131-S134 CarbonylContact O-C 3.33Å; Y131-S134 WeakPolarHBondContact O-CA 3.3Å; Y131-S134 WeakPolarHBondContact O-CB 3.5Å; Y131-S134 PolarHBondContact O-N 2.87Å; Y131-G135 PolarHBondContact O-N 3.01Å; Y131-C136 WeakPolarHBondContact O-CB 3.04Å; Y131-C136 PolarHBondContact O-N 3.01Å; Y131-E149 HydrophobicContact CE2-CB 4.16Å; Y131-E149 HydrophobicContact CE2-CG 4.38Å; Y131-E149 WeakPolarHBondContact CE2-O 3.37Å; Y131-C152 HydrophobicContact CD2-CB 3.69Å; Y131-C152 HydrophobicContact CE2-CB 4.03Å; Y131-R155 HydrophobicContact CD2-CB 4.02Å; Y131-R155 HydrophobicContact CE1-CB 4.22Å; Y131-R155 HydrophobicContact CE1-CG 4.22Å; Y131-R155 HydrophobicContact CE2-CB 3.56Å; Y131-R155 HydrophobicContact CE2-CG 3.97Å; Y131-R155 WeakPolarHBondContact OH-CD 3.43Å; Y131-R155 WeakPolarHBondContact OH-CG 3.38Å; Y131-P156 HydrophobicContact CE1-CG 4.44Å
132A92.9Very high94.1Very high46 Ų4653.1 Ų53.138%0.3831%0.312SS..G310 helixtrans-58.1-35.8175.500000112.8P128 C129 K130 S134 G135 C136P128-A132 HydrophobicContact CB-CB 4.48Å; C129-A132 VanDerWaalsContact O-CB 3.24Å; C129-A132 WeakPolarHBondContact O-CB 3.25Å; C129-A132 PolarHBondContact O-N 2.99Å; K130-A132 VanDerWaalsContact C-N 3.3Å; A132-S134 PolarHBondContact O-N 2.91Å; A132-G135 PolarHBondContact O-N 3.1Å; A132-C136 WeakPolarHBondContact CA-O 3.28Å; A132-C136 WeakPolarHBondContact CB-O 3.24Å
133S90.1Very high94.1Very high117 Ų11757.4 Ų57.482%0.81834%0.338SS*.G310 helixtrans-65.4-20172.956.50000113.7Y131Y131-S133 PolarHBondContact O-N 2.82Å
134S88.9Confident94.2Very high63 Ų6357.3 Ų57.344%0.44134%0.335SS..G310 helixtrans-94.2-0.3175-56.20000113.1Y131 A132 F154Y131-S134 CarbonylContact O-C 3.33Å; Y131-S134 WeakPolarHBondContact O-CA 3.3Å; Y131-S134 WeakPolarHBondContact O-CB 3.5Å; Y131-S134 PolarHBondContact O-N 2.87Å; A132-S134 PolarHBondContact O-N 2.91Å; S134-F154 WeakPolarHBondContact O-CD1 3.49Å
135G91.9Very high94.2Very high35 Ų3552.6 Ų52.636%0.36130%0.301SS..THydrogen-bonded Turntrans114.11.317600000115.5Y131 A132 E137 F154Y131-G135 PolarHBondContact O-N 3.01Å; A132-G135 PolarHBondContact O-N 3.1Å; G135-E137 PolarHBondContact O-N 2.71Å; G135-F154 VanDerWaalsContact O-CZ 3.32Å; G135-F154 WeakPolarHBondContact O-CZ 3.41Å
136C94.4Very high94.1Very high4 Ų455.5 Ų55.53%0.02733%0.326CS..  trans-76.6110.2177.2-169.70000112.1C129 Y131 A132 I138 H148 F154C129-C136 HydrophobicContact CB-CB 4Å; C129-C136 VanDerWaalsContact CB-SG 3.53Å; Y131-C136 WeakPolarHBondContact O-CB 3.04Å; Y131-C136 PolarHBondContact O-N 3.01Å; A132-C136 WeakPolarHBondContact CA-O 3.28Å; A132-C136 WeakPolarHBondContact CB-O 3.24Å; C136-I138 VanDerWaalsContact C-N 3.3Å; C136-I138 PolarHBondContact O-N 3Å; C136-H148 PolarHBondContact SG-NE2 3.43Å; C136-H148 VanDerWaalsContact SG-NE2 3.43Å; C136-F154 VanDerWaalsContact CA-CD2 3.48Å; C136-F154 HydrophobicContact CB-CB 4.02Å; C136-F154 HydrophobicContact CB-CD2 3.5Å; C136-F154 HydrophobicContact CB-CE2 4.22Å; C136-F154 HydrophobicContact CB-CG 3.95Å
137E95.7Very high93.9Very high185 Ų18557.2 Ų57.286%0.86434%0.335SS*.  trans-86.40.9-179.7-60.9-178.2173.100113.9G135G135-E137 PolarHBondContact O-N 2.71Å
138I95.4Very high93.8Very high77 Ų7759.1 Ų59.140%0.39534%0.344SS..  trans-74.5132.9-173-62.7172000110.6C129 C136 L140 H148C129-I138 PolarHBondContact N-O 2.89Å; C136-I138 VanDerWaalsContact C-N 3.3Å; C136-I138 PolarHBondContact O-N 3Å; I138-L140 HydrophobicContact CG2-CD1 3.64Å; I138-L140 HydrophobicContact CG2-CD2 4.11Å; I138-L140 HydrophobicContact CG2-CG 3.63Å; I138-H148 VanDerWaalsContact CD1-CE1 3.46Å; I138-H148 WeakPolarHBondContact CD1-CE1 3.48Å
139T95.9Very high93.7Very high59 Ų5958.8 Ų58.836%0.36234%0.34SS..EExtended strand (participates in β ladder)trans-120133.6172.5560000109.4F127 P128F127-T139 WeakPolarHBondContact O-CA 3.44Å; P128-T139 HydrophobicContact CB-CG2 4.08Å
140L96.2Very high93.3Very high30 Ų3064.4 Ų64.416%0.15737%0.366CS..EExtended strand (participates in β ladder)trans-140.1155.5-168.3-69.9158.2000112.1L126 F127 I138 H148L126-L140 CarbonylContact C-O 3.58Å; L126-L140 WeakPolarHBondContact CA-O 3.29Å; F127-L140 PolarHBondContact N-O 3.01Å; F127-L140 PolarHBondContact O-N 3.04Å; I138-L140 HydrophobicContact CG2-CD1 3.64Å; I138-L140 HydrophobicContact CG2-CD2 4.11Å; I138-L140 HydrophobicContact CG2-CG 3.63Å; L140-H148 HydrophobicContact CD1-CB 3.24Å
141P96.7Very high93Very high38 Ų3866.2 Ų66.225%0.24738%0.379CS..  trans-56.5150.6165.1-20.132.6000111.1L126 T143 E144 K145L126-P141 HydrophobicContact CD2-CG 3.89Å; P141-T143 PolarHBondContact O-N 2.79Å; P141-T143 VanDerWaalsContact O-N 3.08Å; P141-E144 PolarHBondContact O-N 3.38Å; P141-K145 PolarHBondContact O-N 2.74Å; P141-K145 VanDerWaalsContact O-N 3.12Å
142H94.3Very high92.9Very high31 Ų3164.8 Ų64.814%0.14437%0.374CS..Hα-helixtrans-58.1-26.918071.990.5000113.7L80 N123 F127L80-H142 HydrophobicContact CB-CB 4.46Å; L80-H142 HydrophobicContact CD1-CB 4.32Å; L80-H142 HydrophobicContact CD2-CB 3.83Å; L80-H142 HydrophobicContact CG-CB 4.41Å; N123-H142 PolarHBondContact OD1-NE2 2.78Å; F127-H142 HydrophobicContact CD2-CB 3.99Å; F127-H142 HydrophobicContact CE2-CB 3.88Å
143T95.2Very high92.6Very high89 Ų8970.6 Ų70.655%0.54639%0.393SS..Hα-helixtrans-69.3-29.5178.448.30000113.6P141P141-T143 PolarHBondContact O-N 2.79Å; P141-T143 VanDerWaalsContact O-N 3.08Å
144E95.5Very high92.5Very high103 Ų10369.3 Ų69.348%0.48137%0.373SS..Hα-helixtrans-104.2-14.9-175.6-66171.7-154.300112.3P141 A146 D147 H148P141-E144 PolarHBondContact O-N 3.38Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 2.98Å; E144-D147 PolarHBondContact O-N 3.36Å; E144-H148 PolarHBondContact O-N 3.24Å
145K94.3Very high92.6Very high5 Ų569.9 Ų69.92%0.02237%0.366CS..Hα-helixtrans-58.5-41.6-176.4175.4169.1163.866.70112.9L80 F127 P128 P141 E149L80-K145 HydrophobicContact CD1-CD 4.02Å; F127-K145 HydrophobicContact CB-CD 3.75Å; P128-K145 PolarHBondContact O-NZ 3.33Å; P141-K145 PolarHBondContact O-N 2.74Å; P141-K145 VanDerWaalsContact O-N 3.12Å; K145-E149 WeakPolarHBondContact CE-OE1 3.47Å; K145-E149 HydrophobicContact CG-CG 4.44Å; K145-E149 IonicContact NZ-OE1 2.6Å; K145-E149 PolarHBondContact NZ-OE1 3.21Å; K145-E149 WeakPolarHBondContact O-CB 3.35Å; K145-E149 VanDerWaalsContact O-CG 3.24Å; K145-E149 WeakPolarHBondContact O-CG 3.47Å; K145-E149 PolarHBondContact O-N 3.32Å
146A92.2Very high92.6Very high64 Ų6470 Ų7053%0.52936%0.36SS..Hα-helixtrans-64.4-47.3-179.100000111.7E144 H148 E149 E150E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 2.98Å; A146-H148 VanDerWaalsContact C-N 3.34Å; A146-H148 PolarHBondContact O-N 2.85Å; A146-E149 PolarHBondContact O-N 3.46Å; A146-E150 PolarHBondContact O-N 3.41Å; A146-E150 VanDerWaalsContact O-N 3.09Å
147D92.8Very high92.5Very high105 Ų10571 Ų7156%0.56136%0.363SS*.Hα-helixtrans-62.7-42.4-179.9-59-16.1000111.1E144 E150E144-D147 PolarHBondContact O-N 3.36Å; D147-E150 PolarHBondContact O-N 3.04Å
148H93.6Very high92.3Very high40 Ų4064.6 Ų64.619%0.18534%0.339CS..Hα-helixtrans-61.4-47.1173.8169.568.8000112.3C129 C136 I138 L140 E144 A146 E150 L151 C152C129-H148 PolarHBondContact SG-NE2 2.74Å; C129-H148 VanDerWaalsContact SG-NE2 3.43Å; C136-H148 PolarHBondContact SG-NE2 3.43Å; C136-H148 VanDerWaalsContact SG-NE2 3.43Å; I138-H148 VanDerWaalsContact CD1-CE1 3.46Å; I138-H148 WeakPolarHBondContact CD1-CE1 3.48Å; L140-H148 HydrophobicContact CD1-CB 3.24Å; E144-H148 PolarHBondContact O-N 3.24Å; A146-H148 VanDerWaalsContact C-N 3.34Å; A146-H148 PolarHBondContact O-N 2.85Å; H148-E150 PolarHBondContact O-N 3.3Å; H148-L151 CarbonylContact O-C 3.55Å; H148-L151 PolarHBondContact O-N 3.12Å; H148-L151 VanDerWaalsContact O-N 3.08Å; H148-C152 PolarHBondContact NE2-SG 2.9Å; H148-C152 WeakPolarHBondContact O-CA 3.3Å; H148-C152 WeakPolarHBondContact O-CB 3.47Å; H148-C152 PolarHBondContact O-N 2.88Å
149E92.3Very high92.2Very high16 Ų1661.8 Ų61.88%0.07533%0.327CS..Hα-helixtrans-65.8-26.8-177.2-76.7179.2173.200113.5K130 Y131 K145 A146 L151K130-E149 VanDerWaalsContact CB-OE1 3.28Å; K130-E149 WeakPolarHBondContact CB-OE1 3.11Å; K130-E149 HydrophobicContact CD-CG 4.35Å; K130-E149 WeakPolarHBondContact CD-OE2 3.45Å; K130-E149 VanDerWaalsContact CE-OE2 3.26Å; K130-E149 WeakPolarHBondContact CE-OE2 3.31Å; K130-E149 VanDerWaalsContact CG-CD 3.5Å; K130-E149 HydrophobicContact CG-CG 4.08Å; K130-E149 WeakPolarHBondContact CG-OE1 3.26Å; K130-E149 PolarHBondContact N-OE1 3.4Å; K130-E149 IonicContact NZ-OE2 2.75Å; K130-E149 PolarHBondContact NZ-OE2 2.71Å; Y131-E149 HydrophobicContact CE2-CB 4.16Å; Y131-E149 HydrophobicContact CE2-CG 4.38Å; Y131-E149 WeakPolarHBondContact CE2-O 3.37Å; K145-E149 WeakPolarHBondContact CE-OE1 3.47Å; K145-E149 HydrophobicContact CG-CG 4.44Å; K145-E149 IonicContact NZ-OE1 2.6Å; K145-E149 PolarHBondContact NZ-OE1 3.21Å; K145-E149 WeakPolarHBondContact O-CB 3.35Å; K145-E149 VanDerWaalsContact O-CG 3.24Å; K145-E149 WeakPolarHBondContact O-CG 3.47Å; K145-E149 PolarHBondContact O-N 3.32Å; A146-E149 PolarHBondContact O-N 3.46Å; E149-L151 VanDerWaalsContact C-N 3.26Å; E149-L151 PolarHBondContact O-N 3.16Å
150E87.2Confident92Very high122 Ų12259.8 Ų59.857%0.5731%0.314SS*.Hα-helixtrans-65.2-35.2173.3-172169-172.100111.6A146 D147 H148 R155A146-E150 PolarHBondContact O-N 3.41Å; A146-E150 VanDerWaalsContact O-N 3.09Å; D147-E150 PolarHBondContact O-N 3.04Å; H148-E150 PolarHBondContact O-N 3.3Å; E150-R155 PolarHBondContact O-NH1 3.03Å
151L85.1Confident91.6Very high129 Ų12959.4 Ų59.468%0.67531%0.314SS*.SBendtrans-108.58.7-173.6-55.8174.3000113.6H148 E149 E153H148-L151 CarbonylContact O-C 3.55Å; H148-L151 PolarHBondContact O-N 3.12Å; H148-L151 VanDerWaalsContact O-N 3.08Å; E149-L151 VanDerWaalsContact C-N 3.26Å; E149-L151 PolarHBondContact O-N 3.16Å; L151-E153 PolarHBondContact O-N 3.35Å
152C89.9Confident90.7Very high2 Ų258.6 Ų58.61%0.01431%0.309CS..  trans-70.4125-172.8-176.20000111Y131 H148 F154 R155 H275Y131-C152 HydrophobicContact CD2-CB 3.69Å; Y131-C152 HydrophobicContact CE2-CB 4.03Å; H148-C152 PolarHBondContact NE2-SG 2.9Å; H148-C152 WeakPolarHBondContact O-CA 3.3Å; H148-C152 WeakPolarHBondContact O-CB 3.47Å; H148-C152 PolarHBondContact O-N 2.88Å; C152-F154 PolarHBondContact O-N 3.05Å; C152-F154 VanDerWaalsContact O-N 3.09Å; C152-R155 HydrophobicContact CB-CB 4.41Å; C152-R155 WeakPolarHBondContact O-CB 3.09Å; C152-R155 PolarHBondContact O-N 3.03Å; C152-H275 PolarHBondContact O-CE1 3.45Å; C152-H275 VanDerWaalsContact O-CE1 3.23Å; C152-H275 PolarHBondContact O-NE2 3.4Å
153E86.1Confident89.5Confident169 Ų16960.6 Ų60.679%0.7934%0.338SS*.THydrogen-bonded Turntrans-60.4-25.3-179.6-61.5-173.8156.700113.8L151 R155L151-E153 PolarHBondContact O-N 3.35Å; E153-R155 VanDerWaalsContact C-N 3.3Å
154F89.3Confident87.9Confident90 Ų9058.2 Ų58.240%0.39533%0.327SS..THydrogen-bonded Turntrans-86.20177.8-60.7-82.8000113.4S134 G135 C136 C152 P156S134-F154 WeakPolarHBondContact O-CD1 3.49Å; G135-F154 VanDerWaalsContact O-CZ 3.32Å; G135-F154 WeakPolarHBondContact O-CZ 3.41Å; C136-F154 VanDerWaalsContact CA-CD2 3.48Å; C136-F154 HydrophobicContact CB-CB 4.02Å; C136-F154 HydrophobicContact CB-CD2 3.5Å; C136-F154 HydrophobicContact CB-CE2 4.22Å; C136-F154 HydrophobicContact CB-CG 3.95Å; C152-F154 PolarHBondContact O-N 3.05Å; C152-F154 VanDerWaalsContact O-N 3.09Å; F154-P156 WeakPolarHBondContact O-CD 3.28Å
155R91.1Very high86.9Confident74 Ų7458.8 Ų58.828%0.27934%0.343SS..SBendtrans-63.1128.2175.3169.8172.4172.8-156.6-3.2110Y131 E150 C152 E153Y131-R155 HydrophobicContact CD2-CB 4.02Å; Y131-R155 HydrophobicContact CE1-CB 4.22Å; Y131-R155 HydrophobicContact CE1-CG 4.22Å; Y131-R155 HydrophobicContact CE2-CB 3.56Å; Y131-R155 HydrophobicContact CE2-CG 3.97Å; Y131-R155 WeakPolarHBondContact OH-CD 3.43Å; Y131-R155 WeakPolarHBondContact OH-CG 3.38Å; E150-R155 PolarHBondContact O-NH1 3.03Å; C152-R155 HydrophobicContact CB-CB 4.41Å; C152-R155 WeakPolarHBondContact O-CB 3.09Å; C152-R155 PolarHBondContact O-N 3.03Å; E153-R155 VanDerWaalsContact C-N 3.3Å
156P92Very high86.7Confident38 Ų3860.3 Ų60.325%0.24735%0.353CS..PPolyproline II helixtrans-60.1140171.7-23.734.1000111.8Y131 F154 Q169 G170Y131-P156 HydrophobicContact CE1-CG 4.44Å; F154-P156 WeakPolarHBondContact O-CD 3.28Å; P156-Q169 HydrophobicContact CB-CB 4.37Å; P156-G170 CarbonylContact C-O 3.56Å
157Y91.6Very high86.6Confident24 Ų2466 Ų669%0.09437%0.366CS..EExtended strand (participates in β ladder)trans-72.2133.5174.7-69.1-92.5000109.4Q169 G170 L172 V175 I274 H275Y157-Q169 CarbonylContact O-C 3.53Å; Y157-Q169 WeakPolarHBondContact O-CA 3.45Å; Y157-G170 PolarHBondContact N-O 3Å; Y157-G170 PolarHBondContact O-N 3.34Å; Y157-L172 HydrophobicContact CD2-CB 4.02Å; Y157-L172 HydrophobicContact CE1-CD1 4.18Å; Y157-L172 HydrophobicContact CE2-CB 3.71Å; Y157-L172 HydrophobicContact CE2-CD1 4.24Å; Y157-L172 HydrophobicContact CE2-CG 4.45Å; Y157-V175 HydrophobicContact CG-CG2 4.34Å; Y157-I274 HydrophobicContact CD1-CB 4.42Å; Y157-I274 HydrophobicContact CD1-CD1 3.46Å; Y157-I274 VanDerWaalsContact CD1-CD1 3.46Å; Y157-I274 HydrophobicContact CD1-CG1 3.62Å; Y157-I274 HydrophobicContact CE1-CD1 3.89Å; Y157-I274 HydrophobicContact CE1-CG1 3.69Å; Y157-I274 HydrophobicContact CG-CD1 4.18Å; Y157-H275 HydrophobicContact CE1-CB 3.71Å; Y157-H275 AromaticContact CE1-ND1 3.7Å; Y157-H275 AromaticContact CZ-ND1 3.74Å
158S91.4Very high86.7Confident51 Ų5164.2 Ų64.236%0.35735%0.351SS..EExtended strand (participates in β ladder)trans-86160.7168.2-60.60000109.8P160S158-P160 WeakPolarHBondContact O-CD 3.26Å
159C93.1Very high86.7Confident19 Ų1968.4 Ų68.413%0.12837%0.371CS..PPolyproline II helixtrans-52123.9173.4178.30000110.5C161 C166 W168 H178 H183C159-C161 VanDerWaalsContact C-N 3.26Å; C159-C161 PolarHBondContact O-N 2.99Å; C159-C161 VanDerWaalsContact SG-CB 3.6Å; C159-C166 HydrophobicContact CB-CB 3.97Å; C159-W168 HydrophobicContact CB-CE3 4.42Å; C159-W168 PolarHBondContact N-O 2.82Å; C159-W168 VanDerWaalsContact N-O 3.11Å; C159-H178 PolarHBondContact SG-NE2 2.8Å; C159-H183 PolarHBondContact SG-NE2 2.99Å
160P92.1Very high86.7Confident16 Ų1668.4 Ų68.410%0.10438%0.376CS..  trans-82.40.8-176.633.1-36.7000113.9S158 P162 V175 L179 M221 Q241 I243 I274S158-P160 WeakPolarHBondContact O-CD 3.26Å; P160-P162 WeakPolarHBondContact O-CD 3.49Å; P160-V175 HydrophobicContact CG-CG1 3.86Å; P160-L179 HydrophobicContact CG-CD1 3.99Å; P160-L179 HydrophobicContact CG-CD2 4.17Å; P160-L179 HydrophobicContact CG-CG 4.46Å; P160-M221 HydrophobicContact CB-CE 4.35Å; P160-M221 HydrophobicContact CG-CE 3.87Å; P160-Q241 PolarHBondContact O-NE2 3.2Å; P160-I243 HydrophobicContact CB-CD1 4.43Å; P160-I243 HydrophobicContact CG-CD1 3.97Å; P160-I274 HydrophobicContact CB-CB 4.26Å; P160-I274 HydrophobicContact CB-CG2 3.57Å; P160-I274 HydrophobicContact CG-CG2 4.25Å
161C87Confident86.9Confident22 Ų2266.1 Ų66.115%0.14937%0.373CS..  trans-72.8121.6-179.2-171.80000110.7C159 A164C159-C161 VanDerWaalsContact C-N 3.26Å; C159-C161 PolarHBondContact O-N 2.99Å; C159-C161 VanDerWaalsContact SG-CB 3.6Å; C161-A164 HydrophobicContact CB-CB 4.16Å
162P79.6Confident87.2Confident22 Ų2261.8 Ų61.814%0.14335%0.351CS..THydrogen-bonded Turntrans-65154.9173.329.1-35.3000111P160 A164 D208 V210 V223P160-P162 WeakPolarHBondContact O-CD 3.49Å; P162-A164 PolarHBondContact O-N 3.06Å; P162-D208 HydrophobicContact CG-CB 4.42Å; P162-V210 HydrophobicContact CG-CG2 3.37Å; P162-V223 HydrophobicContact CB-CG1 4.38Å; P162-V223 HydrophobicContact CG-CG1 3.85Å; P162-V223 HydrophobicContact CG-CG2 4.06Å
163G67.4Low87.3Confident73 Ų7368.4 Ų68.475%0.75339%0.386SS*.THydrogen-bonded Turntrans66.5-9.9175.200000116.5
164A61.8Low87.7Confident38 Ų3861.9 Ų61.931%0.31436%0.361SS..  trans-79.3132.5-176.200000111.5C161 P162 C166C161-A164 HydrophobicContact CB-CB 4.16Å; P162-A164 PolarHBondContact O-N 3.06Å; A164-C166 HydrophobicContact CB-CB 3.92Å; A164-C166 PolarHBondContact O-N 3.02Å
165S75.1Confident88Confident116 Ų11657.6 Ų57.681%0.81134%0.342SS*.  trans-67.317.7165.160.90000113.2K167S165-K167 PolarHBondContact O-N 2.62Å
166C89.9Confident88.1Confident36 Ų3655.4 Ų55.424%0.24334%0.335CS..  trans-70.5125.1-178.4-170.40000110.1C159 A164 W168 H178C159-C166 HydrophobicContact CB-CB 3.97Å; A164-C166 HydrophobicContact CB-CB 3.92Å; A164-C166 PolarHBondContact O-N 3.02Å; C166-W168 VanDerWaalsContact SG-CB 3.58Å; C166-H178 PolarHBondContact SG-CE1 3.1Å
167K90.7Very high88.3Confident184 Ų18456.6 Ų56.680%0.834%0.343SS*.  trans-107.516.7177.9-58-57.2-179.1-169.10112.3S165S165-K167 PolarHBondContact O-N 2.62Å
168W94.3Very high88.5Confident67 Ų6756 Ų5625%0.25434%0.341SS..  trans-65.4139.2179.2179.388.6000110.8C159 C166 A174 V175 H178C159-W168 HydrophobicContact CB-CE3 4.42Å; C159-W168 PolarHBondContact N-O 2.82Å; C159-W168 VanDerWaalsContact N-O 3.11Å; C166-W168 VanDerWaalsContact SG-CB 3.58Å; W168-A174 HydrophobicContact CH2-CB 4.08Å; W168-A174 HydrophobicContact CZ2-CB 3.69Å; W168-A174 WeakPolarHBondContact CZ2-O 3.47Å; W168-V175 HydrophobicContact CH2-CB 4.32Å; W168-V175 HydrophobicContact CH2-CG2 3.82Å; W168-V175 HydrophobicContact CZ3-CB 4.45Å; W168-V175 HydrophobicContact CZ3-CG2 3.9Å; W168-H178 VanDerWaalsContact CB-CE1 3.4Å; W168-H178 WeakPolarHBondContact CB-CE1 3.47Å; W168-H178 AromaticContact CD1-ND1 3.59Å; W168-H178 HydrophobicContact CD2-CB 3.9Å; W168-H178 AromaticContact CD2-CD2 3.67Å; W168-H178 AromaticContact CD2-CG 3.43Å; W168-H178 VanDerWaalsContact CD2-CG 3.43Å; W168-H178 AromaticContact CD2-ND1 3.66Å; W168-H178 AromaticContact CE2-CG 3.72Å; W168-H178 HydrophobicContact CE3-CB 4.26Å; W168-H178 AromaticContact CE3-CD2 3.55Å; W168-H178 AromaticContact CE3-CG 3.77Å; W168-H178 HydrophobicContact CG-CB 4.45Å; W168-H178 AromaticContact CG-CE1 3.54Å; W168-H178 AromaticContact CG-CG 3.69Å; W168-H178 AromaticContact CG-ND1 3.36Å; W168-H178 AromaticContact CG-NE2 3.94Å; W168-H178 HydrophobicContact CH2-CB 4.2Å; W168-H178 HydrophobicContact CZ2-CB 3.82Å; W168-H178 HydrophobicContact CZ3-CB 4.41Å; W168-H178 AromaticContact NE1-ND1 3.97Å
169Q93.1Very high88.6Confident128 Ų12853.9 Ų53.960%0.59833%0.325SS*.EExtended strand (participates in β ladder)trans-137.7146.1172-65.8-176.5-6.200109.4P156 Y157P156-Q169 HydrophobicContact CB-CB 4.37Å; Y157-Q169 CarbonylContact O-C 3.53Å; Y157-Q169 WeakPolarHBondContact O-CA 3.45Å
170G92.5Very high88.5Confident17 Ų1759.1 Ų59.118%0.17535%0.35CS..EExtended strand (participates in β ladder)trans-173.2-172.6179.600000114P156 Y157P156-G170 CarbonylContact C-O 3.56Å; Y157-G170 PolarHBondContact N-O 3Å; Y157-G170 PolarHBondContact O-N 3.34Å
171S91.8Very high88.5Confident73 Ų7364.4 Ų64.451%0.5137%0.373SS..  trans-71.9163.117160.20000111.2D173 A174 V175S171-D173 VanDerWaalsContact C-N 3.32Å; S171-D173 PolarHBondContact O-N 3.1Å; S171-A174 WeakPolarHBondContact O-CB 3.44Å; S171-A174 PolarHBondContact O-N 2.73Å; S171-V175 PolarHBondContact O-N 3.21Å
172L91.3Very high88.7Confident39 Ų3970 Ų7020%0.20440%0.397CS..Hα-helixtrans-54.6-46.8178.6-17858.6000112.1Y157 A174 V175 I243 T245 I274Y157-L172 HydrophobicContact CD2-CB 4.02Å; Y157-L172 HydrophobicContact CE1-CD1 4.18Å; Y157-L172 HydrophobicContact CE2-CB 3.71Å; Y157-L172 HydrophobicContact CE2-CD1 4.24Å; Y157-L172 HydrophobicContact CE2-CG 4.45Å; L172-A174 PolarHBondContact O-N 2.91Å; L172-A174 VanDerWaalsContact O-N 3.13Å; L172-V175 WeakPolarHBondContact O-CB 3.43Å; L172-V175 WeakPolarHBondContact O-CG2 3.46Å; L172-V175 PolarHBondContact O-N 2.87Å; L172-I243 HydrophobicContact CD1-CG2 4.37Å; L172-T245 HydrophobicContact CD2-CG2 4.24Å; L172-I274 HydrophobicContact CD1-CD1 3.74Å; L172-I274 HydrophobicContact CD1-CG1 4.45Å
173D92.1Very high89.3Confident140 Ų14070.2 Ų70.275%0.74940%0.396SS*.Hα-helixtrans-63.6-21.2-179-57.4-28.7000113.1S171 P177S171-D173 VanDerWaalsContact C-N 3.32Å; S171-D173 PolarHBondContact O-N 3.1Å; D173-P177 WeakPolarHBondContact O-CD 3.27Å; D173-P177 WeakPolarHBondContact O-CG 3.43Å
174A94.9Very high90.2Very high32 Ų3275.1 Ų75.126%0.26440%0.396SS..Hα-helixtrans-87.1-11.3178.200000113.2W168 S171 L172 H178W168-A174 HydrophobicContact CH2-CB 4.08Å; W168-A174 HydrophobicContact CZ2-CB 3.69Å; W168-A174 WeakPolarHBondContact CZ2-O 3.47Å; S171-A174 WeakPolarHBondContact O-CB 3.44Å; S171-A174 PolarHBondContact O-N 2.73Å; L172-A174 PolarHBondContact O-N 2.91Å; L172-A174 VanDerWaalsContact O-N 3.13Å; A174-H178 VanDerWaalsContact O-CB 3.24Å; A174-H178 WeakPolarHBondContact O-CB 3.36Å; A174-H178 PolarHBondContact O-N 3.12Å
175V95.1Very high91.4Very high0 Ų078.5 Ų78.50%042%0.418CS..Hα-helixtrans-65.7-52.4-177178.30000111.7Y157 P160 W168 S171 L172 H178 L179 I243 I274Y157-V175 HydrophobicContact CG-CG2 4.34Å; P160-V175 HydrophobicContact CG-CG1 3.86Å; W168-V175 HydrophobicContact CH2-CB 4.32Å; W168-V175 HydrophobicContact CH2-CG2 3.82Å; W168-V175 HydrophobicContact CZ3-CB 4.45Å; W168-V175 HydrophobicContact CZ3-CG2 3.9Å; S171-V175 PolarHBondContact O-N 3.21Å; L172-V175 WeakPolarHBondContact O-CB 3.43Å; L172-V175 WeakPolarHBondContact O-CG2 3.46Å; L172-V175 PolarHBondContact O-N 2.87Å; V175-H178 WeakPolarHBondContact O-CB 3.47Å; V175-H178 PolarHBondContact O-N 2.85Å; V175-L179 HydrophobicContact CG1-CD1 4.17Å; V175-L179 HydrophobicContact CG1-CG 4.48Å; V175-L179 WeakPolarHBondContact O-CG 3.39Å; V175-L179 PolarHBondContact O-N 3.17Å; V175-I243 HydrophobicContact CB-CG2 4.09Å; V175-I243 HydrophobicContact CG1-CD1 4.43Å; V175-I243 HydrophobicContact CG1-CG2 3.86Å; V175-I274 HydrophobicContact CB-CD1 4.45Å; V175-I274 HydrophobicContact CG1-CD1 4.08Å; V175-I274 HydrophobicContact CG2-CD1 3.98Å
176M94.4Very high92.1Very high29 Ų2974.1 Ų74.114%0.14339%0.385CS..Hα-helixtrans-62.7-47.5-180-76.5-58.5-60.500112.8H178 L179 M180 M212 H219 I243M176-H178 VanDerWaalsContact C-N 3.27Å; M176-H178 PolarHBondContact O-N 3.45Å; M176-L179 PolarHBondContact O-N 3.11Å; M176-L179 HydrophobicContact SD-CD1 4.14Å; M176-M180 WeakPolarHBondContact O-CG 3.32Å; M176-M180 PolarHBondContact O-N 2.96Å; M176-M212 HydrophobicContact CE-CE 4.34Å; M176-M212 HydrophobicContact SD-CE 3.92Å; M176-H219 HydrophobicContact CE-CB 3.97Å; M176-H219 HydrophobicContact CG-CB 4.39Å; M176-H219 HydrophobicContact SD-CB 3.62Å; M176-I243 HydrophobicContact CG-CG2 3.99Å; M176-I243 HydrophobicContact SD-CB 4.41Å; M176-I243 HydrophobicContact SD-CG1 3.95Å; M176-I243 HydrophobicContact SD-CG2 4.22Å
177P95.2Very high92.2Very high62 Ų6276.2 Ų76.240%0.40340%0.397SS..Hα-helixtrans-53.4-44.6170.6-27.734.7000112.4D173 L179 M180 H181D173-P177 WeakPolarHBondContact O-CD 3.27Å; D173-P177 WeakPolarHBondContact O-CG 3.43Å; P177-L179 PolarHBondContact O-N 3.42Å; P177-M180 PolarHBondContact O-N 2.9Å; P177-H181 PolarHBondContact O-N 3.27Å; P177-H181 VanDerWaalsContact O-N 3.14Å; P177-H181 PolarHBondContact O-ND1 3.47Å
178H95.2Very high92.4Very high12 Ų1270.4 Ų70.46%0.05638%0.377CS..Hα-helixtrans-57.8-49.4177162.866.2000112.4C159 C166 W168 A174 V175 M176 M180 H181 Q182 H183C159-H178 PolarHBondContact SG-NE2 2.8Å; C166-H178 PolarHBondContact SG-CE1 3.1Å; W168-H178 VanDerWaalsContact CB-CE1 3.4Å; W168-H178 WeakPolarHBondContact CB-CE1 3.47Å; W168-H178 AromaticContact CD1-ND1 3.59Å; W168-H178 HydrophobicContact CD2-CB 3.9Å; W168-H178 AromaticContact CD2-CD2 3.67Å; W168-H178 AromaticContact CD2-CG 3.43Å; W168-H178 VanDerWaalsContact CD2-CG 3.43Å; W168-H178 AromaticContact CD2-ND1 3.66Å; W168-H178 AromaticContact CE2-CG 3.72Å; W168-H178 HydrophobicContact CE3-CB 4.26Å; W168-H178 AromaticContact CE3-CD2 3.55Å; W168-H178 AromaticContact CE3-CG 3.77Å; W168-H178 HydrophobicContact CG-CB 4.45Å; W168-H178 AromaticContact CG-CE1 3.54Å; W168-H178 AromaticContact CG-CG 3.69Å; W168-H178 AromaticContact CG-ND1 3.36Å; W168-H178 AromaticContact CG-NE2 3.94Å; W168-H178 HydrophobicContact CH2-CB 4.2Å; W168-H178 HydrophobicContact CZ2-CB 3.82Å; W168-H178 HydrophobicContact CZ3-CB 4.41Å; W168-H178 AromaticContact NE1-ND1 3.97Å; A174-H178 VanDerWaalsContact O-CB 3.24Å; A174-H178 WeakPolarHBondContact O-CB 3.36Å; A174-H178 PolarHBondContact O-N 3.12Å; V175-H178 WeakPolarHBondContact O-CB 3.47Å; V175-H178 PolarHBondContact O-N 2.85Å; M176-H178 VanDerWaalsContact C-N 3.27Å; M176-H178 PolarHBondContact O-N 3.45Å; H178-M180 PolarHBondContact O-N 2.99Å; H178-H181 PolarHBondContact O-N 3.19Å; H178-Q182 WeakPolarHBondContact O-CB 3.24Å; H178-Q182 PolarHBondContact O-N 2.99Å; H178-H183 AromaticContact CE1-CD2 3.94Å; H178-H183 AromaticContact CE1-NE2 3.69Å; H178-H183 AromaticContact NE2-CD2 3.62Å; H178-H183 AromaticContact NE2-NE2 3.36Å; H178-H183 PolarHBondContact NE2-NE2 3.41Å
179L93.5Very high92.5Very high6 Ų670.2 Ų70.23%0.03138%0.38CS..Hα-helixtrans-59.8-46.1179.5-68.7173.9000111.9P160 V175 M176 P177 H181 H183 I186 M212 M221 I243P160-L179 HydrophobicContact CG-CD1 3.99Å; P160-L179 HydrophobicContact CG-CD2 4.17Å; P160-L179 HydrophobicContact CG-CG 4.46Å; V175-L179 HydrophobicContact CG1-CD1 4.17Å; V175-L179 HydrophobicContact CG1-CG 4.48Å; V175-L179 WeakPolarHBondContact O-CG 3.39Å; V175-L179 PolarHBondContact O-N 3.17Å; M176-L179 PolarHBondContact O-N 3.11Å; M176-L179 HydrophobicContact SD-CD1 4.14Å; P177-L179 PolarHBondContact O-N 3.42Å; L179-H181 VanDerWaalsContact C-N 3.28Å; L179-H181 PolarHBondContact O-N 3.46Å; L179-H183 CarbonylContact O-C 3.49Å; L179-H183 VanDerWaalsContact O-CA 3.27Å; L179-H183 WeakPolarHBondContact O-CA 3.3Å; L179-H183 VanDerWaalsContact O-CB 3.32Å; L179-H183 WeakPolarHBondContact O-CB 3.5Å; L179-H183 PolarHBondContact O-N 3.19Å; L179-I186 HydrophobicContact CD2-CD1 4.29Å; L179-M212 HydrophobicContact CD1-SD 4.41Å; L179-M221 HydrophobicContact CD1-CE 3.6Å; L179-M221 HydrophobicContact CD2-CE 3.97Å; L179-M221 HydrophobicContact CG-CE 4.45Å; L179-I243 HydrophobicContact CD1-CD1 4.36Å
180M91.4Very high92.7Very high130 Ų13070.7 Ų70.764%0.6438%0.382SS*.Hα-helixtrans-63.1-33.2180-67.4176.47100113.2M176 P177 H178M176-M180 WeakPolarHBondContact O-CG 3.32Å; M176-M180 PolarHBondContact O-N 2.96Å; P177-M180 PolarHBondContact O-N 2.9Å; H178-M180 PolarHBondContact O-N 2.99Å
181H91.9Very high93Very high126 Ų12671.3 Ų71.358%0.58339%0.389SS*.Hα-helixtrans-89.3-40.9-176.2-70.584000113.1P177 H178 L179 K184P177-H181 PolarHBondContact O-N 3.27Å; P177-H181 VanDerWaalsContact O-N 3.14Å; P177-H181 PolarHBondContact O-ND1 3.47Å; H178-H181 PolarHBondContact O-N 3.19Å; L179-H181 VanDerWaalsContact C-N 3.28Å; L179-H181 PolarHBondContact O-N 3.46Å; H181-K184 WeakPolarHBondContact O-CE 3.36Å
182Q92.3Very high93.2Very high141 Ų14173 Ų7366%0.65939%0.389SS*.Hα-helixtrans-98.9-20.7-172.8-60-61.7-41.900113.1H178H178-Q182 WeakPolarHBondContact O-CB 3.24Å; H178-Q182 PolarHBondContact O-N 2.99Å
183H91.3Very high93.5Very high25 Ų2576.2 Ų76.212%0.11641%0.407CS..  trans-123.854-177.1-59.8-91.9000111.7C159 H178 L179 S185 I186C159-H183 PolarHBondContact SG-NE2 2.99Å; H178-H183 AromaticContact CE1-CD2 3.94Å; H178-H183 AromaticContact CE1-NE2 3.69Å; H178-H183 AromaticContact NE2-CD2 3.62Å; H178-H183 AromaticContact NE2-NE2 3.36Å; H178-H183 PolarHBondContact NE2-NE2 3.41Å; L179-H183 CarbonylContact O-C 3.49Å; L179-H183 VanDerWaalsContact O-CA 3.27Å; L179-H183 WeakPolarHBondContact O-CA 3.3Å; L179-H183 VanDerWaalsContact O-CB 3.32Å; L179-H183 WeakPolarHBondContact O-CB 3.5Å; L179-H183 PolarHBondContact O-N 3.19Å; H183-S185 PolarHBondContact O-N 3.02Å; H183-I186 HydrophobicContact CB-CD1 3.52Å; H183-I186 HydrophobicContact CB-CG1 3.93Å; H183-I186 WeakPolarHBondContact O-CB 3.31Å; H183-I186 WeakPolarHBondContact O-CG1 3.32Å; H183-I186 PolarHBondContact O-N 2.95Å
184K86.7Confident93.8Very high176 Ų17670.4 Ų70.477%0.76538%0.375SS*.THydrogen-bonded Turntrans-60.3-18.5-174.9-60.9-175-175.2-177.80115.1H181H181-K184 WeakPolarHBondContact O-CE 3.36Å
185S86.7Confident93.9Very high109 Ų10972.6 Ų72.676%0.76239%0.385SS*.THydrogen-bonded Turntrans-73.3-17.5176.153.10000113.1H183 T187H183-S185 PolarHBondContact O-N 3.02Å; S185-T187 PolarHBondContact O-N 3.21Å
186I90.1Very high94Very high24 Ų2473 Ų7312%0.12339%0.387CS..SBendtrans-75.3111.2179.8-55.4177.7000108.7L179 H183 V210 M212 M221L179-I186 HydrophobicContact CD2-CD1 4.29Å; H183-I186 HydrophobicContact CB-CD1 3.52Å; H183-I186 HydrophobicContact CB-CG1 3.93Å; H183-I186 WeakPolarHBondContact O-CB 3.31Å; H183-I186 WeakPolarHBondContact O-CG1 3.32Å; H183-I186 PolarHBondContact O-N 2.95Å; I186-V210 HydrophobicContact CD1-CG1 4.24Å; I186-V210 HydrophobicContact CG1-CG1 4.49Å; I186-V210 HydrophobicContact CG2-CG1 4.28Å; I186-M212 HydrophobicContact CG2-CB 4.41Å; I186-M212 HydrophobicContact CG2-CG 3.59Å; I186-M221 HydrophobicContact CD1-CE 4.45Å
187T92.8Very high94.1Very high80 Ų8075.9 Ų75.949%0.49140%0.403SS..EExtended strand (participates in β ladder)trans-73.5139.5177-59.10000109.8S185 L189 M212S185-T187 PolarHBondContact O-N 3.21Å; T187-L189 HydrophobicContact CG2-CD2 4.31Å; T187-M212 PolarHBondContact O-N 3.38Å
188T94.8Very high94.2Very high63 Ų6373 Ų7339%0.38738%0.383SS..EExtended strand (participates in β ladder)trans-112.7124174.3-55.60000110.2M212T188-M212 CarbonylContact C-O 3.57Å; T188-M212 VanDerWaalsContact CA-O 3.3Å; T188-M212 WeakPolarHBondContact CA-O 3.42Å; T188-M212 HydrophobicContact CG2-CB 4.01Å
189L96.4Very high94.2Very high62 Ų6275.6 Ų75.633%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-107.8145.5173.1-62.7-176.6000110.6T187 I194 M211 M212 Q213 S214T187-L189 HydrophobicContact CG2-CD2 4.31Å; L189-I194 HydrophobicContact CB-CD1 4.13Å; L189-I194 HydrophobicContact CB-CG2 4.36Å; L189-I194 HydrophobicContact CD1-CD1 4.14Å; L189-M211 HydrophobicContact CD1-CE 4.18Å; L189-M211 HydrophobicContact CD1-SD 3.56Å; L189-M211 VanDerWaalsContact CD1-SD 3.56Å; L189-M211 HydrophobicContact CG-SD 4.02Å; L189-M212 PolarHBondContact N-O 3.3Å; L189-Q213 CarbonylContact O-C 3.41Å; L189-Q213 WeakPolarHBondContact O-CA 3.41Å; L189-S214 PolarHBondContact O-N 3.06Å
190Q97.4Very high94.2Very high138 Ų13879.8 Ų79.865%0.64542%0.423SS*.EExtended strand (participates in β ladder)trans-101.6142177-64.4-67.1-2900109.6S214Q190-S214 VanDerWaalsContact NE2-CB 3.3Å; Q190-S214 PolarHBondContact NE2-OG 2.85Å; Q190-S214 VanDerWaalsContact OE1-CB 3.29Å; Q190-S214 PolarHBondContact OE1-O 3.08Å; Q190-S214 PolarHBondContact OE1-OG 3.35Å
191G97.3Very high94.4Very high31 Ų3173.6 Ų73.632%0.3239%0.392SS..SBendtrans121.8154.2177.500000112.7Q213 S214G191-Q213 WeakPolarHBondContact O-CG 3.4Å; G191-Q213 PolarHBondContact O-NE2 3.27Å; G191-S214 PolarHBondContact N-O 2.79Å
192E96.6Very high94.4Very high109 Ų10971.1 Ų71.151%0.50938%0.383SS..SBendtrans-81.4-21.9179.465.2-167.5-146.400113Q213 C215 F216 T309 I310E192-Q213 PolarHBondContact O-NE2 3.48Å; E192-Q213 VanDerWaalsContact O-NE2 3.11Å; E192-C215 HydrophobicContact CB-CB 4.2Å; E192-F216 HydrophobicContact CB-CE2 3.95Å; E192-F216 HydrophobicContact CB-CZ 3.92Å; E192-F216 VanDerWaalsContact OE2-CZ 3.28Å; E192-F216 WeakPolarHBondContact OE2-CZ 3.48Å; E192-T309 CarbonylContact O-C 3.53Å; E192-T309 VanDerWaalsContact O-CA 3.29Å; E192-T309 WeakPolarHBondContact O-CA 3.41Å; E192-I310 PolarHBondContact O-N 3.01Å
193D97.4Very high94.3Very high106 Ų10668.3 Ų68.357%0.56737%0.373SS*.EExtended strand (participates in β ladder)trans-125.4115.4176.3-164.728.8000110V308 T309D193-V308 WeakPolarHBondContact CA-O 3.47Å; D193-T309 HydrophobicContact CB-CG2 4.43Å; D193-T309 PolarHBondContact OD1-OG1 3.26Å
194I98.2Very high94.2Very high17 Ų1772.6 Ų72.69%0.08740%0.402CS..EExtended strand (participates in β ladder)trans-138.8168.6-175.966.8165.2000111.4L189 M211 Q213 L222 V308L189-I194 HydrophobicContact CB-CD1 4.13Å; L189-I194 HydrophobicContact CB-CG2 4.36Å; L189-I194 HydrophobicContact CD1-CD1 4.14Å; I194-M211 HydrophobicContact CD1-SD 4.41Å; I194-Q213 HydrophobicContact CD1-CB 3.78Å; I194-Q213 HydrophobicContact CD1-CG 3.69Å; I194-Q213 HydrophobicContact CG1-CG 4.23Å; I194-L222 HydrophobicContact CD1-CD1 3.86Å; I194-V308 HydrophobicContact CG1-CB 3.98Å; I194-V308 PolarHBondContact N-O 3.21Å; I194-V308 PolarHBondContact O-N 3.07Å
195V97.7Very high94.2Very high79 Ų7965.2 Ų65.248%0.47938%0.377SS..EExtended strand (participates in β ladder)trans-110.7116.2169.8-172.60000109.6I306V195-I306 WeakPolarHBondContact CA-O 3.41Å
196F97.5Very high94.3Very high8 Ų863.8 Ų63.84%0.03537%0.372CS..EExtended strand (participates in β ladder)trans-86.4108.6169.7173.8-151.6000109.5W209 M211 L222 L224 I306 V308F196-W209 HydrophobicContact CE2-CB 4.15Å; F196-W209 HydrophobicContact CZ-CB 3.61Å; F196-M211 HydrophobicContact CB-SD 4.41Å; F196-M211 HydrophobicContact CD2-CB 3.9Å; F196-M211 HydrophobicContact CD2-CE 3.94Å; F196-M211 HydrophobicContact CD2-SD 3.9Å; F196-M211 HydrophobicContact CE2-CB 3.88Å; F196-M211 HydrophobicContact CE2-CE 4.47Å; F196-M211 HydrophobicContact CG-SD 4.48Å; F196-L222 HydrophobicContact CB-CD1 4.46Å; F196-L222 HydrophobicContact CD1-CB 4.14Å; F196-L222 HydrophobicContact CE1-CB 4.25Å; F196-L224 HydrophobicContact CE1-CB 3.84Å; F196-L224 HydrophobicContact CZ-CB 4.21Å; F196-I306 HydrophobicContact CB-CB 4.36Å; F196-I306 HydrophobicContact CD1-CD1 4.24Å; F196-I306 PolarHBondContact N-O 3.05Å; F196-I306 PolarHBondContact O-N 3.25Å; F196-V308 HydrophobicContact CB-CG2 3.84Å
197L96.6Very high94.4Very high90 Ų9064.2 Ų64.247%0.47138%0.375SS..EExtended strand (participates in β ladder)trans-94.7108.4179.3-171.268.3000110.8T199 N303L197-T199 HydrophobicContact CD2-CG2 4.37Å; L197-T199 HydrophobicContact CG-CG2 4.39Å; L197-N303 HydrophobicContact CD1-CB 3.87Å; L197-N303 HydrophobicContact CG-CB 4.39Å
198A96.4Very high94.3Very high0 Ų063.3 Ų63.30%037%0.367CS..EExtended strand (participates in β ladder)trans-86.8111170.200000109.7I201 W209 L224 N303 L304A198-I201 HydrophobicContact CB-CG2 4.03Å; A198-I201 WeakPolarHBondContact O-CG2 3.43Å; A198-W209 HydrophobicContact CB-CB 4.4Å; A198-W209 HydrophobicContact CB-CD2 4.13Å; A198-W209 HydrophobicContact CB-CG 3.91Å; A198-L224 HydrophobicContact CB-CD2 3.44Å; A198-L224 VanDerWaalsContact CB-CD2 3.44Å; A198-N303 CarbonylContact O-C 3.58Å; A198-N303 WeakPolarHBondContact O-CA 3.14Å; A198-L304 HydrophobicContact CB-CB 4.4Å; A198-L304 PolarHBondContact N-O 2.63Å; A198-L304 PolarHBondContact O-N 3.18Å
199T95.1Very high94.3Very high67 Ų6761.5 Ų61.541%0.41135%0.353SS..  trans-85.7144.5-178.156.30000112.1L197 I201 W209 N303L197-T199 HydrophobicContact CD2-CG2 4.37Å; L197-T199 HydrophobicContact CG-CG2 4.39Å; T199-I201 PolarHBondContact O-N 2.99Å; T199-W209 WeakPolarHBondContact O-CZ2 3.47Å; T199-W209 PolarHBondContact O-NE1 3.33Å; T199-N303 VanDerWaalsContact CA-OD1 3.25Å; T199-N303 WeakPolarHBondContact CA-OD1 3.01Å
200D94.1Very high94.3Very high94 Ų9460.1 Ų60.150%0.50335%0.348SS..  trans55.149.5174.9-59.3-55.9000114.3N202 L203 G302 N303D200-N202 PolarHBondContact O-N 3.14Å; D200-L203 HydrophobicContact CB-CD1 3.89Å; D200-L203 HydrophobicContact CB-CG 3.91Å; D200-L203 VanDerWaalsContact O-CG 3.31Å; D200-L203 WeakPolarHBondContact O-CG 3.42Å; D200-L203 PolarHBondContact O-N 3.32Å; D200-G302 WeakPolarHBondContact CA-O 3.38Å; D200-G302 PolarHBondContact N-O 3.17Å; D200-N303 PolarHBondContact N-OD1 3.18Å
201I94.6Very high94.2Very high0 Ų054.6 Ų54.60%032%0.322CS..THydrogen-bonded Turntrans-60.8-16.3-177.570.9-175.1000114.1A198 T199 L203 W209 K226 F236 A295 A299 G302 L304A198-I201 HydrophobicContact CB-CG2 4.03Å; A198-I201 WeakPolarHBondContact O-CG2 3.43Å; T199-I201 PolarHBondContact O-N 2.99Å; I201-L203 VanDerWaalsContact C-N 3.32Å; I201-W209 HydrophobicContact CG2-CZ2 4.48Å; I201-K226 PolarHBondContact O-NZ 2.99Å; I201-F236 HydrophobicContact CB-CE1 4.23Å; I201-F236 HydrophobicContact CB-CZ 4.28Å; I201-A295 HydrophobicContact CD1-CB 4.12Å; I201-A299 HydrophobicContact CD1-CB 3.5Å; I201-G302 PolarHBondContact N-O 2.71Å; I201-L304 HydrophobicContact CD1-CB 4.03Å; I201-L304 HydrophobicContact CG2-CB 3.73Å
202N92.2Very high94.2Very high74 Ų7453.3 Ų53.340%0.39631%0.307SS..THydrogen-bonded Turntrans-86.50.6-179.4-62.6-42.2000113.5D200 Q296D200-N202 PolarHBondContact O-N 3.14Å; N202-Q296 PolarHBondContact ND2-NE2 2.85Å; N202-Q296 PolarHBondContact OD1-NE2 3.33Å
203L91.1Very high94.3Very high83 Ų8348.1 Ų48.144%0.43528%0.283SS..  trans-53.8136.3174.6-77170.5000110.9D200 I201 V207 K226D200-L203 HydrophobicContact CB-CD1 3.89Å; D200-L203 HydrophobicContact CB-CG 3.91Å; D200-L203 VanDerWaalsContact O-CG 3.31Å; D200-L203 WeakPolarHBondContact O-CG 3.42Å; D200-L203 PolarHBondContact O-N 3.32Å; I201-L203 VanDerWaalsContact C-N 3.32Å; L203-V207 HydrophobicContact CB-CG2 4.17Å; L203-K226 PolarHBondContact O-NZ 2.85Å
204P88.7Confident94.3Very high114 Ų11443.5 Ų43.574%0.7426%0.26SS*.SBendtrans-70147.2-179.429-34.3000111.3
205G87.3Confident94.3Very high22 Ų2243.3 Ų43.323%0.22726%0.259CS..SBendtrans84.4-169.6178.600000114.4
206A88.5Confident94.3Very high79 Ų7942.9 Ų42.965%0.65325%0.251SS*.  trans-79.6129.917700000110.8K226A206-K226 VanDerWaalsContact CA-O 3.24Å; A206-K226 WeakPolarHBondContact CA-O 3.47Å; A206-K226 WeakPolarHBondContact CB-O 3.29Å
207V91.3Very high94.2Very high33 Ų3346.1 Ų46.120%0.229%0.287CS..EExtended strand (participates in β ladder)trans-142.5138.5-176.1-1770000109.2L203 W209 K226L203-V207 HydrophobicContact CB-CG2 4.17Å; V207-W209 HydrophobicContact CB-CH2 3.64Å; V207-W209 HydrophobicContact CB-CZ2 4.28Å; V207-W209 HydrophobicContact CB-CZ3 3.78Å; V207-W209 HydrophobicContact CG1-CD2 4.25Å; V207-W209 HydrophobicContact CG1-CE3 4.12Å; V207-W209 HydrophobicContact CG1-CH2 3.52Å; V207-W209 HydrophobicContact CG1-CZ2 3.66Å; V207-W209 HydrophobicContact CG1-CZ3 3.77Å; V207-W209 WeakPolarHBondContact O-CZ3 3.42Å; V207-K226 PolarHBondContact N-O 3.29Å; V207-K226 WeakPolarHBondContact O-CB 3.46Å; V207-K226 PolarHBondContact O-N 3.48Å
208D92.1Very high94.3Very high61 Ų6144.6 Ų44.633%0.32628%0.277SS..EExtended strand (participates in β ladder)trans-114.2130.6177.9-58.5-41.1000110.2P162 E225P162-D208 HydrophobicContact CG-CB 4.42Å; D208-E225 VanDerWaalsContact OD1-CG 3.3Å; D208-E225 WeakPolarHBondContact OD1-CG 3.39Å
209W94.7Very high94.3Very high25 Ų2547.3 Ų47.310%0.09529%0.289CS..EExtended strand (participates in β ladder)trans-108.8132.3166.7-62.7-102000109.1F196 A198 T199 I201 V207 L224 K226 F236F196-W209 HydrophobicContact CE2-CB 4.15Å; F196-W209 HydrophobicContact CZ-CB 3.61Å; A198-W209 HydrophobicContact CB-CB 4.4Å; A198-W209 HydrophobicContact CB-CD2 4.13Å; A198-W209 HydrophobicContact CB-CG 3.91Å; T199-W209 WeakPolarHBondContact O-CZ2 3.47Å; T199-W209 PolarHBondContact O-NE1 3.33Å; I201-W209 HydrophobicContact CG2-CZ2 4.48Å; V207-W209 HydrophobicContact CB-CH2 3.64Å; V207-W209 HydrophobicContact CB-CZ2 4.28Å; V207-W209 HydrophobicContact CB-CZ3 3.78Å; V207-W209 HydrophobicContact CG1-CD2 4.25Å; V207-W209 HydrophobicContact CG1-CE3 4.12Å; V207-W209 HydrophobicContact CG1-CH2 3.52Å; V207-W209 HydrophobicContact CG1-CZ2 3.66Å; V207-W209 HydrophobicContact CG1-CZ3 3.77Å; V207-W209 WeakPolarHBondContact O-CZ3 3.42Å; W209-L224 HydrophobicContact CB-CB 4.27Å; W209-L224 HydrophobicContact CD2-CD2 4.33Å; W209-L224 HydrophobicContact CE3-CB 4.48Å; W209-L224 HydrophobicContact CE3-CD2 3.93Å; W209-L224 HydrophobicContact CE3-CG 4.12Å; W209-L224 HydrophobicContact CZ3-CD2 4.48Å; W209-L224 PolarHBondContact N-O 3.38Å; W209-L224 PolarHBondContact O-N 3.47Å; W209-K226 HydrophobicContact CH2-CD 4.42Å; W209-K226 HydrophobicContact CZ3-CB 3.89Å; W209-F236 HydrophobicContact CZ3-CE1 4.32Å
210V95.3Very high94.5Very high33 Ų3344.1 Ų44.120%0.227%0.27CS..EExtended strand (participates in β ladder)trans-133.7134.3-176.2-172.60000110.1P162 I186 M221 L222P162-V210 HydrophobicContact CG-CG2 3.37Å; I186-V210 HydrophobicContact CD1-CG1 4.24Å; I186-V210 HydrophobicContact CG1-CG1 4.49Å; I186-V210 HydrophobicContact CG2-CG1 4.28Å; V210-M221 HydrophobicContact CG1-CE 4.42Å; V210-M221 HydrophobicContact CG1-CG 3.59Å; V210-M221 HydrophobicContact CG1-SD 3.6Å; V210-L222 WeakPolarHBondContact CA-O 3.41Å
211M95.8Very high94.6Very high22 Ų2239.7 Ų39.711%0.10825%0.246CC..EExtended strand (participates in β ladder)trans-140.7150.6175-179.1172.7-75.300110.1L189 I194 F196 M221 L222L189-M211 HydrophobicContact CD1-CE 4.18Å; L189-M211 HydrophobicContact CD1-SD 3.56Å; L189-M211 VanDerWaalsContact CD1-SD 3.56Å; L189-M211 HydrophobicContact CG-SD 4.02Å; I194-M211 HydrophobicContact CD1-SD 4.41Å; F196-M211 HydrophobicContact CB-SD 4.41Å; F196-M211 HydrophobicContact CD2-CB 3.9Å; F196-M211 HydrophobicContact CD2-CE 3.94Å; F196-M211 HydrophobicContact CD2-SD 3.9Å; F196-M211 HydrophobicContact CE2-CB 3.88Å; F196-M211 HydrophobicContact CE2-CE 4.47Å; F196-M211 HydrophobicContact CG-SD 4.48Å; M211-M221 WeakPolarHBondContact O-CA 3.38Å; M211-L222 HydrophobicContact CB-CB 4.32Å; M211-L222 HydrophobicContact CB-CD1 4.42Å; M211-L222 HydrophobicContact CG-CD1 4.46Å; M211-L222 PolarHBondContact N-O 2.87Å; M211-L222 PolarHBondContact O-N 3.32Å
212M97Very high94.8Very high3 Ų339.8 Ų39.82%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-101.4134.8169.4-66.2-56.7-58.800110.3M176 L179 I186 T187 T188 L189 H219 F220 M221 I243M176-M212 HydrophobicContact CE-CE 4.34Å; M176-M212 HydrophobicContact SD-CE 3.92Å; L179-M212 HydrophobicContact CD1-SD 4.41Å; I186-M212 HydrophobicContact CG2-CB 4.41Å; I186-M212 HydrophobicContact CG2-CG 3.59Å; T187-M212 PolarHBondContact O-N 3.38Å; T188-M212 CarbonylContact C-O 3.57Å; T188-M212 VanDerWaalsContact CA-O 3.3Å; T188-M212 WeakPolarHBondContact CA-O 3.42Å; T188-M212 HydrophobicContact CG2-CB 4.01Å; L189-M212 PolarHBondContact N-O 3.3Å; M212-H219 HydrophobicContact CE-CB 3.66Å; M212-F220 CarbonylContact C-O 3.59Å; M212-F220 WeakPolarHBondContact CA-O 3.36Å; M212-M221 HydrophobicContact CE-CB 4.15Å; M212-M221 HydrophobicContact SD-CB 3.49Å; M212-M221 WeakPolarHBondContact SD-CB 3.48Å; M212-M221 HydrophobicContact SD-CE 3.52Å; M212-M221 VanDerWaalsContact SD-CE 3.52Å; M212-M221 HydrophobicContact SD-CG 3.73Å; M212-M221 HydrophobicContact SD-SD 4.49Å; M212-I243 HydrophobicContact CE-CD1 4.32Å; M212-I243 HydrophobicContact CE-CG1 3.77Å
213Q98Very high95Very high0 Ų036.3 Ų36.30%023%0.228CC..EExtended strand (participates in β ladder)trans-113.1136167.9-178.2175.2400109.2L189 G191 E192 I194 H219 F220 L222 I310L189-Q213 CarbonylContact O-C 3.41Å; L189-Q213 WeakPolarHBondContact O-CA 3.41Å; G191-Q213 WeakPolarHBondContact O-CG 3.4Å; G191-Q213 PolarHBondContact O-NE2 3.27Å; E192-Q213 PolarHBondContact O-NE2 3.48Å; E192-Q213 VanDerWaalsContact O-NE2 3.11Å; I194-Q213 HydrophobicContact CD1-CB 3.78Å; I194-Q213 HydrophobicContact CD1-CG 3.69Å; I194-Q213 HydrophobicContact CG1-CG 4.23Å; Q213-H219 CarbonylContact O-C 3.5Å; Q213-H219 WeakPolarHBondContact O-CA 3.32Å; Q213-F220 PolarHBondContact N-O 3.5Å; Q213-F220 PolarHBondContact O-N 3.08Å; Q213-L222 HydrophobicContact CB-CD1 3.93Å; Q213-I310 HydrophobicContact CG-CD1 4.21Å
214S98.2Very high95.3Very high10 Ų1032.3 Ų32.37%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-122.6117.2-178177.30000109.8L189 Q190 G191 F218 H219L189-S214 PolarHBondContact O-N 3.06Å; Q190-S214 VanDerWaalsContact NE2-CB 3.3Å; Q190-S214 PolarHBondContact NE2-OG 2.85Å; Q190-S214 VanDerWaalsContact OE1-CB 3.29Å; Q190-S214 PolarHBondContact OE1-O 3.08Å; Q190-S214 PolarHBondContact OE1-OG 3.35Å; G191-S214 PolarHBondContact N-O 2.79Å; S214-F218 WeakPolarHBondContact CA-O 3.42Å; S214-H219 PolarHBondContact OG-CE1 3.06Å; S214-H219 PolarHBondContact OG-ND1 3Å
215C98.1Very high95.6Very high12 Ų1228.9 Ų28.98%0.08118%0.181CC..EExtended strand (participates in β ladder)trans-158159.417957.40000110.4E192 G217 F218E192-C215 HydrophobicContact CB-CB 4.2Å; C215-G217 PolarHBondContact O-N 3.09Å; C215-F218 PolarHBondContact N-O 3.35Å; C215-F218 VanDerWaalsContact N-O 3.12Å; C215-F218 PolarHBondContact O-N 3.21Å; C215-F218 VanDerWaalsContact O-O 3.05Å
216F97.6Very high95.9Very high70 Ų7027.9 Ų27.931%0.30717%0.17SC..THydrogen-bonded Turntrans53.422.6-178.5-50.7-68.8000115.5E192 F218 F252 I310 M312E192-F216 HydrophobicContact CB-CE2 3.95Å; E192-F216 HydrophobicContact CB-CZ 3.92Å; E192-F216 VanDerWaalsContact OE2-CZ 3.28Å; E192-F216 WeakPolarHBondContact OE2-CZ 3.48Å; F216-F218 HydrophobicContact CB-CD2 4.47Å; F216-F218 VanDerWaalsContact O-CD2 3.23Å; F216-F218 WeakPolarHBondContact O-CD2 3.24Å; F216-F218 PolarHBondContact O-N 3.46Å; F216-F252 HydrophobicContact CB-CE1 3.8Å; F216-F252 HydrophobicContact CB-CZ 4.16Å; F216-F252 HydrophobicContact CD2-CD1 4.23Å; F216-F252 AromaticContact CD2-CE1 3.76Å; F216-F252 HydrophobicContact CD2-CE1 3.76Å; F216-F252 AromaticContact CG-CE1 3.91Å; F216-F252 HydrophobicContact CG-CE1 3.91Å; F216-I310 HydrophobicContact CD2-CG2 4.25Å; F216-I310 HydrophobicContact CE2-CB 4.5Å; F216-I310 HydrophobicContact CE2-CG2 4.08Å; F216-I310 WeakPolarHBondContact CE2-O 3.47Å; F216-M312 HydrophobicContact CD1-CE 3.93Å; F216-M312 HydrophobicContact CD1-CG 4.07Å; F216-M312 HydrophobicContact CD1-SD 3.89Å; F216-M312 HydrophobicContact CE1-CE 3.85Å; F216-M312 HydrophobicContact CE1-CG 4.22Å; F216-M312 HydrophobicContact CE1-SD 4.31Å; F216-M312 HydrophobicContact CG-CG 4.24Å; F216-M312 HydrophobicContact CG-SD 4.4Å
217G96.3Very high96.1Very high76 Ų7627 Ų2778%0.78415%0.153SC*.THydrogen-bonded Turntrans76.18.7-174.500000114.6C215C215-G217 PolarHBondContact O-N 3.09Å
218F97.6Very high95.9Very high59 Ų5930.7 Ų30.726%0.25917%0.168SC..EExtended strand (participates in β ladder)trans-117.5164.5177.8-69.5-83.4000111.8S214 C215 F216 F220 L242 Q248 F252S214-F218 WeakPolarHBondContact CA-O 3.42Å; C215-F218 PolarHBondContact N-O 3.35Å; C215-F218 VanDerWaalsContact N-O 3.12Å; C215-F218 PolarHBondContact O-N 3.21Å; C215-F218 VanDerWaalsContact O-O 3.05Å; F216-F218 HydrophobicContact CB-CD2 4.47Å; F216-F218 VanDerWaalsContact O-CD2 3.23Å; F216-F218 WeakPolarHBondContact O-CD2 3.24Å; F216-F218 PolarHBondContact O-N 3.46Å; F218-F220 HydrophobicContact CB-CD2 4.49Å; F218-F220 HydrophobicContact CB-CE2 3.74Å; F218-F220 HydrophobicContact CB-CZ 4.06Å; F218-L242 HydrophobicContact CB-CD1 3.76Å; F218-L242 HydrophobicContact CD1-CD1 3.93Å; F218-L242 HydrophobicContact CG-CD1 4.09Å; F218-Q248 HydrophobicContact CE1-CB 4.46Å; F218-Q248 HydrophobicContact CE1-CG 4.31Å; F218-Q248 HydrophobicContact CZ-CG 4.48Å; F218-F252 AromaticContact CD2-CE2 3.87Å; F218-F252 HydrophobicContact CD2-CE2 3.87Å; F218-F252 AromaticContact CD2-CZ 3.51Å; F218-F252 HydrophobicContact CD2-CZ 3.51Å; F218-F252 HydrophobicContact CE2-CE2 4.02Å; F218-F252 AromaticContact CE2-CZ 3.77Å; F218-F252 HydrophobicContact CE2-CZ 3.77Å; F218-F252 HydrophobicContact CG-CE2 4.35Å; F218-F252 HydrophobicContact CG-CZ 4.32Å
219H97.9Very high95.3Very high57 Ų5732.6 Ų32.626%0.26417%0.173SC..EExtended strand (participates in β ladder)trans-118.6130.4176.4-58.4-67.7000110M176 M212 Q213 S214 I243M176-H219 HydrophobicContact CE-CB 3.97Å; M176-H219 HydrophobicContact CG-CB 4.39Å; M176-H219 HydrophobicContact SD-CB 3.62Å; M212-H219 HydrophobicContact CE-CB 3.66Å; Q213-H219 CarbonylContact O-C 3.5Å; Q213-H219 WeakPolarHBondContact O-CA 3.32Å; S214-H219 PolarHBondContact OG-CE1 3.06Å; S214-H219 PolarHBondContact OG-ND1 3Å; H219-I243 HydrophobicContact CB-CB 4.27Å; H219-I243 HydrophobicContact CB-CG1 4.05Å; H219-I243 WeakPolarHBondContact O-CB 3.27Å; H219-I243 WeakPolarHBondContact O-CG1 3.33Å; H219-I243 PolarHBondContact O-N 3.42Å
220F98.1Very high94.1Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-118.4126-179.7-58.6-97.3000108.4M212 Q213 F218 V240 Q241 L242 F252 P271 I310M212-F220 CarbonylContact C-O 3.59Å; M212-F220 WeakPolarHBondContact CA-O 3.36Å; Q213-F220 PolarHBondContact N-O 3.5Å; Q213-F220 PolarHBondContact O-N 3.08Å; F218-F220 HydrophobicContact CB-CD2 4.49Å; F218-F220 HydrophobicContact CB-CE2 3.74Å; F218-F220 HydrophobicContact CB-CZ 4.06Å; F220-V240 HydrophobicContact CB-CG1 3.95Å; F220-V240 HydrophobicContact CD1-CG1 4.2Å; F220-Q241 CarbonylContact C-O 3.6Å; F220-Q241 VanDerWaalsContact CA-O 3.26Å; F220-Q241 WeakPolarHBondContact CA-O 3.47Å; F220-L242 HydrophobicContact CD1-CB 4.03Å; F220-L242 HydrophobicContact CD1-CD1 3.91Å; F220-L242 HydrophobicContact CE1-CB 4.06Å; F220-L242 HydrophobicContact CE1-CD1 3.58Å; F220-L242 HydrophobicContact CE1-CG 4.29Å; F220-L242 HydrophobicContact CE2-CD1 4.33Å; F220-L242 HydrophobicContact CG-CD1 4.43Å; F220-L242 HydrophobicContact CZ-CD1 3.81Å; F220-F252 HydrophobicContact CE1-CB 4.32Å; F220-F252 HydrophobicContact CE1-CD2 4.27Å; F220-F252 HydrophobicContact CE1-CG 4.18Å; F220-F252 HydrophobicContact CZ-CB 4.48Å; F220-F252 HydrophobicContact CZ-CD1 4.03Å; F220-F252 HydrophobicContact CZ-CD2 4.03Å; F220-F252 HydrophobicContact CZ-CE1 4.25Å; F220-F252 HydrophobicContact CZ-CE2 4.26Å; F220-F252 AromaticContact CZ-CG 3.92Å; F220-F252 HydrophobicContact CZ-CG 3.92Å; F220-F252 HydrophobicContact CZ-CZ 4.37Å; F220-P271 HydrophobicContact CD1-CB 4.28Å; F220-P271 HydrophobicContact CD1-CG 4.2Å; F220-P271 HydrophobicContact CE1-CB 4.34Å; F220-P271 HydrophobicContact CE1-CG 3.97Å; F220-I310 HydrophobicContact CB-CD1 3.6Å; F220-I310 HydrophobicContact CD1-CD1 3.76Å; F220-I310 HydrophobicContact CD2-CD1 3.41Å; F220-I310 VanDerWaalsContact CD2-CD1 3.41Å; F220-I310 HydrophobicContact CE1-CD1 4.23Å; F220-I310 HydrophobicContact CE1-CG2 4.14Å; F220-I310 HydrophobicContact CE2-CD1 3.94Å; F220-I310 HydrophobicContact CE2-CG2 4.03Å; F220-I310 HydrophobicContact CG-CD1 3.3Å; F220-I310 HydrophobicContact CZ-CD1 4.32Å; F220-I310 HydrophobicContact CZ-CG2 3.8Å
221M97.3Very high93.1Very high0 Ų048.1 Ų48.10%024%0.241CC..EExtended strand (participates in β ladder)trans-92.9124.1173.7-173.6178-66.100109.2P160 L179 I186 V210 M211 M212 V223 Q241 I243P160-M221 HydrophobicContact CB-CE 4.35Å; P160-M221 HydrophobicContact CG-CE 3.87Å; L179-M221 HydrophobicContact CD1-CE 3.6Å; L179-M221 HydrophobicContact CD2-CE 3.97Å; L179-M221 HydrophobicContact CG-CE 4.45Å; I186-M221 HydrophobicContact CD1-CE 4.45Å; V210-M221 HydrophobicContact CG1-CE 4.42Å; V210-M221 HydrophobicContact CG1-CG 3.59Å; V210-M221 HydrophobicContact CG1-SD 3.6Å; M211-M221 WeakPolarHBondContact O-CA 3.38Å; M212-M221 HydrophobicContact CE-CB 4.15Å; M212-M221 HydrophobicContact SD-CB 3.49Å; M212-M221 WeakPolarHBondContact SD-CB 3.48Å; M212-M221 HydrophobicContact SD-CE 3.52Å; M212-M221 VanDerWaalsContact SD-CE 3.52Å; M212-M221 HydrophobicContact SD-CG 3.73Å; M212-M221 HydrophobicContact SD-SD 4.49Å; M221-V223 HydrophobicContact CG-CG2 4.15Å; M221-V223 HydrophobicContact SD-CG2 4.41Å; M221-Q241 HydrophobicContact CB-CG 3.61Å; M221-Q241 HydrophobicContact CG-CG 4.39Å; M221-Q241 PolarHBondContact N-O 2.99Å; M221-Q241 WeakPolarHBondContact O-CG 3.24Å; M221-Q241 PolarHBondContact O-N 2.98Å; M221-Q241 PolarHBondContact SD-NE2 3.48Å; M221-I243 HydrophobicContact CB-CD1 4.47Å
222L97.6Very high92.1Very high2 Ų249.2 Ų49.21%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-92.8126.7175-68.8155.3000108I194 F196 V210 M211 Q213 V240 L256 V308I194-L222 HydrophobicContact CD1-CD1 3.86Å; F196-L222 HydrophobicContact CB-CD1 4.46Å; F196-L222 HydrophobicContact CD1-CB 4.14Å; F196-L222 HydrophobicContact CE1-CB 4.25Å; V210-L222 WeakPolarHBondContact CA-O 3.41Å; M211-L222 HydrophobicContact CB-CB 4.32Å; M211-L222 HydrophobicContact CB-CD1 4.42Å; M211-L222 HydrophobicContact CG-CD1 4.46Å; M211-L222 PolarHBondContact N-O 2.87Å; M211-L222 PolarHBondContact O-N 3.32Å; Q213-L222 HydrophobicContact CB-CD1 3.93Å; L222-V240 HydrophobicContact CD2-CG1 4.48Å; L222-V240 HydrophobicContact CD2-CG2 3.58Å; L222-L256 HydrophobicContact CD2-CD2 4.27Å; L222-V308 HydrophobicContact CD1-CG1 4.25Å; L222-V308 HydrophobicContact CD1-CG2 4.22Å; L222-V308 HydrophobicContact CD2-CB 4.22Å; L222-V308 HydrophobicContact CD2-CG1 3.44Å; L222-V308 VanDerWaalsContact CD2-CG1 3.44Å; L222-V308 HydrophobicContact CD2-CG2 3.8Å; L222-V308 HydrophobicContact CG-CG1 4.41Å
223V96.8Very high91.5Very high1 Ų155.3 Ų55.31%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-124.9126.5178.3179.40000108.7P162 M221 E225 A238 I239 I278P162-V223 HydrophobicContact CB-CG1 4.38Å; P162-V223 HydrophobicContact CG-CG1 3.85Å; P162-V223 HydrophobicContact CG-CG2 4.06Å; M221-V223 HydrophobicContact CG-CG2 4.15Å; M221-V223 HydrophobicContact SD-CG2 4.41Å; V223-E225 HydrophobicContact CG1-CB 4.41Å; V223-A238 VanDerWaalsContact O-CA 3.31Å; V223-A238 WeakPolarHBondContact O-CA 3.05Å; V223-I239 HydrophobicContact CB-CG2 4.12Å; V223-I239 PolarHBondContact N-O 3.1Å; V223-I239 PolarHBondContact O-N 2.98Å; V223-I278 HydrophobicContact CB-CD1 4.04Å; V223-I278 HydrophobicContact CG1-CD1 3.84Å; V223-I278 HydrophobicContact CG2-CD1 3.95Å
224L96.8Very high91.2Very high0 Ų057.4 Ų57.40%030%0.295CS..EExtended strand (participates in β ladder)trans-115.2112.8162.7176.272.9000107.2F196 A198 W209 F236 F237 A238 F290 I306F196-L224 HydrophobicContact CE1-CB 3.84Å; F196-L224 HydrophobicContact CZ-CB 4.21Å; A198-L224 HydrophobicContact CB-CD2 3.44Å; A198-L224 VanDerWaalsContact CB-CD2 3.44Å; W209-L224 HydrophobicContact CB-CB 4.27Å; W209-L224 HydrophobicContact CD2-CD2 4.33Å; W209-L224 HydrophobicContact CE3-CB 4.48Å; W209-L224 HydrophobicContact CE3-CD2 3.93Å; W209-L224 HydrophobicContact CE3-CG 4.12Å; W209-L224 HydrophobicContact CZ3-CD2 4.48Å; W209-L224 PolarHBondContact N-O 3.38Å; W209-L224 PolarHBondContact O-N 3.47Å; L224-F236 HydrophobicContact CD1-CB 4.06Å; L224-F236 HydrophobicContact CD1-CD1 4.14Å; L224-F236 HydrophobicContact CD2-CD1 4.36Å; L224-F236 HydrophobicContact CG-CD1 4.31Å; L224-F237 CarbonylContact C-O 3.58Å; L224-F237 WeakPolarHBondContact CA-O 3.35Å; L224-A238 HydrophobicContact CD1-CB 3.84Å; L224-F290 HydrophobicContact CD1-CE1 4.36Å; L224-F290 HydrophobicContact CD1-CZ 3.96Å; L224-I306 HydrophobicContact CD1-CD1 4.29Å; L224-I306 HydrophobicContact CD2-CD1 4.35Å
225E95Very high91Very high42 Ų4259.1 Ų59.120%0.19630%0.302CS..EExtended strand (participates in β ladder)trans-108.7127.8179.2175169.9163.300109.4D208 V223 Q227 F236 F237 I282D208-E225 VanDerWaalsContact OD1-CG 3.3Å; D208-E225 WeakPolarHBondContact OD1-CG 3.39Å; V223-E225 HydrophobicContact CG1-CB 4.41Å; E225-Q227 HydrophobicContact CG-CG 3.91Å; E225-Q227 WeakPolarHBondContact OE1-CG 3.43Å; E225-Q227 PolarHBondContact OE1-NE2 3.22Å; E225-F236 CarbonylContact O-C 3.6Å; E225-F236 WeakPolarHBondContact O-CA 3.49Å; E225-F237 PolarHBondContact N-O 3.39Å; E225-F237 PolarHBondContact O-N 3.09Å; E225-I282 VanDerWaalsContact OE2-CD1 3.28Å; E225-I282 WeakPolarHBondContact OE2-CD1 3.27Å
226K94.3Very high90.9Very high0 Ų058.6 Ų58.60%030%0.298CS..EExtended strand (participates in β ladder)trans-100.5116171.9178.6-178.1-179.1173.30109.1I201 L203 A206 V207 W209 Q235 F236I201-K226 PolarHBondContact O-NZ 2.99Å; L203-K226 PolarHBondContact O-NZ 2.85Å; A206-K226 VanDerWaalsContact CA-O 3.24Å; A206-K226 WeakPolarHBondContact CA-O 3.47Å; A206-K226 WeakPolarHBondContact CB-O 3.29Å; V207-K226 PolarHBondContact N-O 3.29Å; V207-K226 WeakPolarHBondContact O-CB 3.46Å; V207-K226 PolarHBondContact O-N 3.48Å; W209-K226 HydrophobicContact CH2-CD 4.42Å; W209-K226 HydrophobicContact CZ3-CB 3.89Å; K226-Q235 WeakPolarHBondContact CA-O 3.22Å; K226-F236 HydrophobicContact CB-CD1 4.03Å; K226-F236 HydrophobicContact CB-CE1 3.9Å; K226-F236 HydrophobicContact CD-CE1 3.85Å; K226-F236 HydrophobicContact CD-CZ 3.85Å; K226-F236 HydrophobicContact CG-CD1 4.34Å; K226-F236 HydrophobicContact CG-CE1 3.93Å; K226-F236 HydrophobicContact CG-CZ 4.12Å
227Q91.6Very high90.9Very high61 Ų6155.5 Ų55.529%0.28529%0.285SS..EExtended strand (participates in β ladder)trans-107.5143.9175.5-59.8-172.2-2.200111.4E225 Q234 Q235 F237E225-Q227 HydrophobicContact CG-CG 3.91Å; E225-Q227 WeakPolarHBondContact OE1-CG 3.43Å; E225-Q227 PolarHBondContact OE1-NE2 3.22Å; Q227-Q234 WeakPolarHBondContact O-CA 3.36Å; Q227-Q235 PolarHBondContact N-O 2.91Å; Q227-Q235 PolarHBondContact O-N 3.2Å; Q227-F237 HydrophobicContact CB-CE2 4.07Å; Q227-F237 HydrophobicContact CG-CD2 4.11Å; Q227-F237 HydrophobicContact CG-CE2 4.01Å
228E88Confident91Very high110 Ų11052 Ų5251%0.51425%0.249SC..EExtended strand (participates in β ladder)trans-103.5117.2172.5-173165.9-150.900109.5Q234E228-Q234 HydrophobicContact CG-CG 4.44Å
229K80.1Confident91Very high102 Ų10249.3 Ų49.344%0.44324%0.237SC..  trans-82.7161.7174.5-70.2-173.3163.5175.60110.9D231 G232 H233K229-D231 PolarHBondContact O-N 2.88Å; K229-G232 PolarHBondContact O-N 2.75Å; K229-H233 WeakPolarHBondContact CB-O 3.26Å; K229-H233 PolarHBondContact N-O 3.3Å
230Y68.8Low91Very high242 Ų24246.6 Ų46.695%0.94922%0.224SC*.THydrogen-bonded Turntrans-54.5-22.3-174.4-64.5-79.5000115.4
231D73.9Confident90.9Very high142 Ų14246.8 Ų46.876%0.75923%0.225SC*.THydrogen-bonded Turntrans-96.912.5180-64.7-27.3000113.6K229 H233K229-D231 PolarHBondContact O-N 2.88Å; D231-H233 PolarHBondContact O-N 3.18Å
232G75.4Confident91Very high45 Ų4546.8 Ų46.846%0.46423%0.225SC..SBendtrans76.71.7-175.900000114K229 Q234K229-G232 PolarHBondContact O-N 2.75Å; G232-Q234 PolarHBondContact O-N 3.23Å
233H83.9Confident90.9Very high131 Ų13147.4 Ų47.461%0.60623%0.228SC*.  trans-71.7117.9171.2-70.5-63.9000110.2K229 D231K229-H233 WeakPolarHBondContact CB-O 3.26Å; K229-H233 PolarHBondContact N-O 3.3Å; D231-H233 PolarHBondContact O-N 3.18Å
234Q91.1Very high90.8Very high43 Ų4347.3 Ų47.320%0.20123%0.228CC..EExtended strand (participates in β ladder)trans-93.3136.7175.4-67.5172.2-0.800110Q227 E228 G232 T292Q227-Q234 WeakPolarHBondContact O-CA 3.36Å; E228-Q234 HydrophobicContact CG-CG 4.44Å; G232-Q234 PolarHBondContact O-N 3.23Å; Q234-T292 WeakPolarHBondContact CB-OG1 3.43Å
235Q94.4Very high90.5Very high47 Ų4749.8 Ų49.822%0.2224%0.243CC..EExtended strand (participates in β ladder)trans-128.6144.2175.6-69.6-170.4-55.100110.4K226 Q227 F237K226-Q235 WeakPolarHBondContact CA-O 3.22Å; Q227-Q235 PolarHBondContact N-O 2.91Å; Q227-Q235 PolarHBondContact O-N 3.2Å; Q235-F237 HydrophobicContact CB-CE2 3.68Å; Q235-F237 HydrophobicContact CB-CZ 4.02Å
236F96.8Very high90.4Very high0 Ų054.7 Ų54.70%026%0.26CS..EExtended strand (participates in β ladder)trans-105.3136.6175.4-67-91.7000109.3I201 W209 L224 E225 K226 V289 F290 A295I201-F236 HydrophobicContact CB-CE1 4.23Å; I201-F236 HydrophobicContact CB-CZ 4.28Å; W209-F236 HydrophobicContact CZ3-CE1 4.32Å; L224-F236 HydrophobicContact CD1-CB 4.06Å; L224-F236 HydrophobicContact CD1-CD1 4.14Å; L224-F236 HydrophobicContact CD2-CD1 4.36Å; L224-F236 HydrophobicContact CG-CD1 4.31Å; E225-F236 CarbonylContact O-C 3.6Å; E225-F236 WeakPolarHBondContact O-CA 3.49Å; K226-F236 HydrophobicContact CB-CD1 4.03Å; K226-F236 HydrophobicContact CB-CE1 3.9Å; K226-F236 HydrophobicContact CD-CE1 3.85Å; K226-F236 HydrophobicContact CD-CZ 3.85Å; K226-F236 HydrophobicContact CG-CD1 4.34Å; K226-F236 HydrophobicContact CG-CE1 3.93Å; K226-F236 HydrophobicContact CG-CZ 4.12Å; F236-V289 WeakPolarHBondContact O-CA 3.43Å; F236-F290 HydrophobicContact CB-CD1 4.27Å; F236-F290 HydrophobicContact CB-CD2 3.78Å; F236-F290 HydrophobicContact CB-CE1 3.93Å; F236-F290 HydrophobicContact CB-CE2 3.4Å; F236-F290 VanDerWaalsContact CB-CE2 3.4Å; F236-F290 HydrophobicContact CB-CG 4.2Å; F236-F290 HydrophobicContact CB-CZ 3.48Å; F236-F290 VanDerWaalsContact CB-CZ 3.48Å; F236-F290 HydrophobicContact CD1-CE2 4.31Å; F236-F290 AromaticContact CD2-CD2 4Å; F236-F290 HydrophobicContact CD2-CD2 4Å; F236-F290 AromaticContact CD2-CE2 3.79Å; F236-F290 HydrophobicContact CD2-CE2 3.79Å; F236-F290 HydrophobicContact CG-CD2 4.12Å; F236-F290 AromaticContact CG-CE2 3.58Å; F236-F290 HydrophobicContact CG-CE2 3.58Å; F236-F290 HydrophobicContact CG-CZ 4.02Å; F236-F290 PolarHBondContact N-O 3.43Å; F236-F290 PolarHBondContact O-N 3.25Å; F236-F290 VanDerWaalsContact O-N 3.11Å; F236-A295 HydrophobicContact CD2-CB 4.17Å; F236-A295 HydrophobicContact CE2-CB 3.9Å; F236-A295 HydrophobicContact CZ-CB 4.45Å
237F97.3Very high90.3Very high5 Ų562.6 Ų62.62%0.02229%0.294CS..EExtended strand (participates in β ladder)trans-124.5114.6178-61.4-94.2000108.2L224 E225 Q227 Q235 I282 V289L224-F237 CarbonylContact C-O 3.58Å; L224-F237 WeakPolarHBondContact CA-O 3.35Å; E225-F237 PolarHBondContact N-O 3.39Å; E225-F237 PolarHBondContact O-N 3.09Å; Q227-F237 HydrophobicContact CB-CE2 4.07Å; Q227-F237 HydrophobicContact CG-CD2 4.11Å; Q227-F237 HydrophobicContact CG-CE2 4.01Å; Q235-F237 HydrophobicContact CB-CE2 3.68Å; Q235-F237 HydrophobicContact CB-CZ 4.02Å; F237-I282 HydrophobicContact CB-CD1 4.49Å; F237-I282 HydrophobicContact CB-CG1 4.22Å; F237-I282 HydrophobicContact CB-CG2 4.27Å; F237-I282 HydrophobicContact CD1-CG2 3.78Å; F237-I282 HydrophobicContact CD2-CG2 4.24Å; F237-I282 HydrophobicContact CE1-CG2 4.15Å; F237-I282 HydrophobicContact CG-CG2 3.84Å; F237-V289 HydrophobicContact CD1-CB 4.44Å; F237-V289 HydrophobicContact CD1-CG1 4.15Å; F237-V289 HydrophobicContact CD1-CG2 3.57Å; F237-V289 HydrophobicContact CE1-CB 4.47Å; F237-V289 HydrophobicContact CE1-CG1 3.83Å; F237-V289 HydrophobicContact CE1-CG2 3.76Å; F237-V289 HydrophobicContact CZ-CG1 4.26Å
238A98.1Very high90.4Very high3 Ų362.7 Ų62.73%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-112.4123.3178.800000110.7V223 L224 L256 C287 L288 I306V223-A238 VanDerWaalsContact O-CA 3.31Å; V223-A238 WeakPolarHBondContact O-CA 3.05Å; L224-A238 HydrophobicContact CD1-CB 3.84Å; A238-L256 HydrophobicContact CB-CD1 3.75Å; A238-L256 WeakPolarHBondContact O-CD1 3.38Å; A238-C287 WeakPolarHBondContact O-CB 3.44Å; A238-L288 HydrophobicContact CB-CB 4.15Å; A238-L288 HydrophobicContact CB-CD2 4.29Å; A238-L288 HydrophobicContact CB-CG 4.43Å; A238-L288 PolarHBondContact N-O 2.96Å; A238-L288 PolarHBondContact O-N 3.16Å; A238-I306 HydrophobicContact CB-CD1 4.43Å
239I97.9Very high90.8Very high2 Ų257.6 Ų57.61%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-144.3151.7-175.1-163.7169.6000111.4V223 R272 I278 A281 C287V223-I239 HydrophobicContact CB-CG2 4.12Å; V223-I239 PolarHBondContact N-O 3.1Å; V223-I239 PolarHBondContact O-N 2.98Å; I239-R272 HydrophobicContact CD1-CG 3.88Å; I239-I278 HydrophobicContact CD1-CB 4.29Å; I239-I278 HydrophobicContact CD1-CG2 4.13Å; I239-I278 HydrophobicContact CG2-CB 4.07Å; I239-I278 HydrophobicContact CG2-CD1 4.09Å; I239-I278 HydrophobicContact CG2-CG2 3.89Å; I239-A281 HydrophobicContact CD1-CB 3.55Å; I239-C287 HydrophobicContact CB-CB 3.89Å; I239-C287 HydrophobicContact CD1-CB 4.01Å; I239-C287 HydrophobicContact CG1-CB 4.03Å
240V98.1Very high91.6Very high0 Ų057.8 Ų57.80%027%0.274CS..EExtended strand (participates in β ladder)trans-111.5130175.5-173.70000109.3F220 L222 Y254 L256 P271 R272F220-V240 HydrophobicContact CB-CG1 3.95Å; F220-V240 HydrophobicContact CD1-CG1 4.2Å; L222-V240 HydrophobicContact CD2-CG1 4.48Å; L222-V240 HydrophobicContact CD2-CG2 3.58Å; V240-Y254 HydrophobicContact CB-CD1 3.71Å; V240-Y254 HydrophobicContact CB-CD2 3.94Å; V240-Y254 HydrophobicContact CB-CE1 3.97Å; V240-Y254 HydrophobicContact CB-CE2 4.19Å; V240-Y254 HydrophobicContact CB-CG 3.68Å; V240-Y254 HydrophobicContact CG1-CD1 4.48Å; V240-Y254 HydrophobicContact CG1-CG 4.38Å; V240-Y254 HydrophobicContact CG2-CD1 4.02Å; V240-Y254 HydrophobicContact CG2-CD2 3.28Å; V240-Y254 HydrophobicContact CG2-CE1 4.32Å; V240-Y254 HydrophobicContact CG2-CE2 3.65Å; V240-Y254 HydrophobicContact CG2-CG 3.47Å; V240-Y254 VanDerWaalsContact CG2-CG 3.47Å; V240-L256 HydrophobicContact CG2-CD2 3.97Å; V240-L256 HydrophobicContact CG2-CG 4.45Å; V240-P271 HydrophobicContact CG1-CB 4.41Å; V240-R272 PolarHBondContact O-N 3.43Å
241Q96.8Very high93Very high4 Ų450.3 Ų50.32%0.01925%0.25CS..EExtended strand (participates in β ladder)trans-118.1135.7171.865.6179.3-18.200111.5P160 F220 M221 R272 I274 I278P160-Q241 PolarHBondContact O-NE2 3.2Å; F220-Q241 CarbonylContact C-O 3.6Å; F220-Q241 VanDerWaalsContact CA-O 3.26Å; F220-Q241 WeakPolarHBondContact CA-O 3.47Å; M221-Q241 HydrophobicContact CB-CG 3.61Å; M221-Q241 HydrophobicContact CG-CG 4.39Å; M221-Q241 PolarHBondContact N-O 2.99Å; M221-Q241 WeakPolarHBondContact O-CG 3.24Å; M221-Q241 PolarHBondContact O-N 2.98Å; M221-Q241 PolarHBondContact SD-NE2 3.48Å; Q241-R272 CarbonylContact C-O 3.56Å; Q241-R272 WeakPolarHBondContact CA-O 3.38Å; Q241-R272 HydrophobicContact CB-CB 4.43Å; Q241-R272 WeakPolarHBondContact CB-O 3.33Å; Q241-I274 HydrophobicContact CG-CG2 4.25Å; Q241-I278 HydrophobicContact CB-CG2 4.03Å; Q241-I278 HydrophobicContact CG-CG2 4.49Å
242L97.8Very high94.1Very high0 Ų044 Ų440%022%0.216CC..EExtended strand (participates in β ladder)trans-84.8129.9172.9171.965.7000110.3F218 F220 G244 Q248 A249 F252 P271 R272 I274F218-L242 HydrophobicContact CB-CD1 3.76Å; F218-L242 HydrophobicContact CD1-CD1 3.93Å; F218-L242 HydrophobicContact CG-CD1 4.09Å; F220-L242 HydrophobicContact CD1-CB 4.03Å; F220-L242 HydrophobicContact CD1-CD1 3.91Å; F220-L242 HydrophobicContact CE1-CB 4.06Å; F220-L242 HydrophobicContact CE1-CD1 3.58Å; F220-L242 HydrophobicContact CE1-CG 4.29Å; F220-L242 HydrophobicContact CE2-CD1 4.33Å; F220-L242 HydrophobicContact CG-CD1 4.43Å; F220-L242 HydrophobicContact CZ-CD1 3.81Å; L242-G244 PolarHBondContact O-N 2.83Å; L242-Q248 HydrophobicContact CD2-CB 3.81Å; L242-A249 HydrophobicContact CB-CB 4.34Å; L242-A249 VanDerWaalsContact CD2-CA 3.47Å; L242-A249 HydrophobicContact CD2-CB 3.81Å; L242-F252 HydrophobicContact CD2-CD2 4.45Å; L242-P271 HydrophobicContact CB-CB 4.17Å; L242-R272 PolarHBondContact N-O 3.11Å; L242-I274 WeakPolarHBondContact O-CG2 3.28Å; L242-I274 PolarHBondContact O-N 2.6Å; L242-I274 VanDerWaalsContact O-N 3.1Å
243I96.6Very high95.2Very high15 Ų1543.1 Ų43.18%0.07721%0.205CC..SBendtrans-73.978.8164-48.8-55.2000108.3P160 L172 V175 M176 L179 M212 H219 M221 I274P160-I243 HydrophobicContact CB-CD1 4.43Å; P160-I243 HydrophobicContact CG-CD1 3.97Å; L172-I243 HydrophobicContact CD1-CG2 4.37Å; V175-I243 HydrophobicContact CB-CG2 4.09Å; V175-I243 HydrophobicContact CG1-CD1 4.43Å; V175-I243 HydrophobicContact CG1-CG2 3.86Å; M176-I243 HydrophobicContact CG-CG2 3.99Å; M176-I243 HydrophobicContact SD-CB 4.41Å; M176-I243 HydrophobicContact SD-CG1 3.95Å; M176-I243 HydrophobicContact SD-CG2 4.22Å; L179-I243 HydrophobicContact CD1-CD1 4.36Å; M212-I243 HydrophobicContact CE-CD1 4.32Å; M212-I243 HydrophobicContact CE-CG1 3.77Å; H219-I243 HydrophobicContact CB-CB 4.27Å; H219-I243 HydrophobicContact CB-CG1 4.05Å; H219-I243 WeakPolarHBondContact O-CB 3.27Å; H219-I243 WeakPolarHBondContact O-CG1 3.33Å; H219-I243 PolarHBondContact O-N 3.42Å; M221-I243 HydrophobicContact CB-CD1 4.47Å; I243-I274 HydrophobicContact CD1-CD1 4.42Å; I243-I274 HydrophobicContact CD1-CG2 3.53Å; I243-I274 HydrophobicContact CG2-CD1 3.95Å
244G93.8Very high95.9Very high0 Ų037.1 Ų37.10%018%0.177CC..SBendtrans-179.6-179.6-171.500000111.9L242 S273L242-G244 PolarHBondContact O-N 2.83Å; G244-S273 PolarHBondContact O-OG 2.71Å
245T91.7Very high96.3Very high51 Ų5139.1 Ų39.131%0.31318%0.183SC..  trans-77.2164.5178.470.80000111.8L172 K247 Q248 A249L172-T245 HydrophobicContact CD2-CG2 4.24Å; T245-K247 PolarHBondContact O-N 3.48Å; T245-Q248 PolarHBondContact O-N 3.07Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.49Å; T245-Q248 PolarHBondContact OG1-N 3.36Å; T245-Q248 PolarHBondContact OG1-OE1 3.01Å; T245-A249 PolarHBondContact O-N 3.13Å
246R91.3Very high96.5Very high146 Ų14637.1 Ų37.155%0.55117%0.173SC*.Hα-helixtrans-58-46.1173.1179.5-179.4170.9152.7-11.2112.4Q248 A249 E250 E276R246-Q248 PolarHBondContact O-N 3.44Å; R246-A249 WeakPolarHBondContact O-CA 3.46Å; R246-A249 WeakPolarHBondContact O-CB 3.19Å; R246-A249 PolarHBondContact O-N 3.01Å; R246-E250 IonicContact NE-OE1 2.74Å; R246-E250 PolarHBondContact NE-OE1 2.85Å; R246-E250 WeakPolarHBondContact O-CG 3.33Å; R246-E250 PolarHBondContact O-N 3.26Å; R246-E276 WeakPolarHBondContact CD-OE1 3.32Å; R246-E276 IonicContact CZ-OE1 2.88Å; R246-E276 IonicContact NE-OE1 3.1Å; R246-E276 IonicContact NH1-OE1 3.9Å; R246-E276 PolarHBondContact NH1-OE1 2.95Å
247K92Very high96.6Very high166 Ų16638.3 Ų38.372%0.72218%0.179SC*.Hα-helixtrans-60.8-34.1178-173.7177.5-179.4179.30112.4T245 N251T245-K247 PolarHBondContact O-N 3.48Å; K247-N251 PolarHBondContact O-ND2 3.11Å
248Q95.1Very high96.6Very high62 Ų6238 Ų3829%0.2918%0.178SC..Hα-helixtrans-69.1-42.7173.3-74.1169.6-36.100111F218 L242 T245 R246 E250 N251 F252F218-Q248 HydrophobicContact CE1-CB 4.46Å; F218-Q248 HydrophobicContact CE1-CG 4.31Å; F218-Q248 HydrophobicContact CZ-CG 4.48Å; L242-Q248 HydrophobicContact CD2-CB 3.81Å; T245-Q248 PolarHBondContact O-N 3.07Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.49Å; T245-Q248 PolarHBondContact OG1-N 3.36Å; T245-Q248 PolarHBondContact OG1-OE1 3.01Å; R246-Q248 PolarHBondContact O-N 3.44Å; Q248-E250 VanDerWaalsContact C-N 3.28Å; Q248-E250 PolarHBondContact O-N 3.27Å; Q248-N251 WeakPolarHBondContact CA-ND2 3.48Å; Q248-N251 PolarHBondContact O-N 3.38Å; Q248-N251 VanDerWaalsContact O-N 3.16Å; Q248-N251 PolarHBondContact O-ND2 3.2Å; Q248-F252 VanDerWaalsContact O-CD2 3.29Å; Q248-F252 WeakPolarHBondContact O-CD2 3.23Å
249A96.4Very high96.5Very high3 Ų341.1 Ų41.13%0.02519%0.193CC..Hα-helixtrans-60.6-36.1-179.800000112.9L242 T245 R246 N251 F252 T270 P271L242-A249 HydrophobicContact CB-CB 4.34Å; L242-A249 VanDerWaalsContact CD2-CA 3.47Å; L242-A249 HydrophobicContact CD2-CB 3.81Å; T245-A249 PolarHBondContact O-N 3.13Å; R246-A249 WeakPolarHBondContact O-CA 3.46Å; R246-A249 WeakPolarHBondContact O-CB 3.19Å; R246-A249 PolarHBondContact O-N 3.01Å; A249-N251 PolarHBondContact O-N 3.04Å; A249-N251 VanDerWaalsContact O-N 3.12Å; A249-F252 PolarHBondContact O-N 3.3Å; A249-T270 VanDerWaalsContact O-CG2 3.26Å; A249-T270 WeakPolarHBondContact O-CG2 3.42Å; A249-P271 WeakPolarHBondContact CB-O 3.45Å
250E96.3Very high96.3Very high107 Ų10742.2 Ų42.250%0.521%0.206SC..THydrogen-bonded Turntrans-60.5-17.5177.1-72.2168.5-178.300114.4R246 Q248 F252R246-E250 IonicContact NE-OE1 2.74Å; R246-E250 PolarHBondContact NE-OE1 2.85Å; R246-E250 WeakPolarHBondContact O-CG 3.33Å; R246-E250 PolarHBondContact O-N 3.26Å; Q248-E250 VanDerWaalsContact C-N 3.28Å; Q248-E250 PolarHBondContact O-N 3.27Å; E250-F252 VanDerWaalsContact C-N 3.29Å
251N97.9Very high96Very high85 Ų8549.8 Ų49.846%0.45524%0.241SC..THydrogen-bonded Turntrans-88.24.2176.3-46.5-76.7000113.1K247 Q248 A249 M312 C313K247-N251 PolarHBondContact O-ND2 3.11Å; Q248-N251 WeakPolarHBondContact CA-ND2 3.48Å; Q248-N251 PolarHBondContact O-N 3.38Å; Q248-N251 VanDerWaalsContact O-N 3.16Å; Q248-N251 PolarHBondContact O-ND2 3.2Å; A249-N251 PolarHBondContact O-N 3.04Å; A249-N251 VanDerWaalsContact O-N 3.12Å; N251-M312 VanDerWaalsContact O-CA 3.31Å; N251-M312 WeakPolarHBondContact O-CA 3.47Å; N251-C313 VanDerWaalsContact C-SG 3.5Å; N251-C313 PolarHBondContact O-N 3.25Å
252F98.4Very high95.9Very high8 Ų860.6 Ų60.64%0.03528%0.281CS..EExtended strand (participates in β ladder)trans-128.4149.8-178.1-61.1-77.4000111.5F216 F218 F220 L242 Q248 A249 E250 P271 I310 S311 M312 C313F216-F252 HydrophobicContact CB-CE1 3.8Å; F216-F252 HydrophobicContact CB-CZ 4.16Å; F216-F252 HydrophobicContact CD2-CD1 4.23Å; F216-F252 AromaticContact CD2-CE1 3.76Å; F216-F252 HydrophobicContact CD2-CE1 3.76Å; F216-F252 AromaticContact CG-CE1 3.91Å; F216-F252 HydrophobicContact CG-CE1 3.91Å; F218-F252 AromaticContact CD2-CE2 3.87Å; F218-F252 HydrophobicContact CD2-CE2 3.87Å; F218-F252 AromaticContact CD2-CZ 3.51Å; F218-F252 HydrophobicContact CD2-CZ 3.51Å; F218-F252 HydrophobicContact CE2-CE2 4.02Å; F218-F252 AromaticContact CE2-CZ 3.77Å; F218-F252 HydrophobicContact CE2-CZ 3.77Å; F218-F252 HydrophobicContact CG-CE2 4.35Å; F218-F252 HydrophobicContact CG-CZ 4.32Å; F220-F252 HydrophobicContact CE1-CB 4.32Å; F220-F252 HydrophobicContact CE1-CD2 4.27Å; F220-F252 HydrophobicContact CE1-CG 4.18Å; F220-F252 HydrophobicContact CZ-CB 4.48Å; F220-F252 HydrophobicContact CZ-CD1 4.03Å; F220-F252 HydrophobicContact CZ-CD2 4.03Å; F220-F252 HydrophobicContact CZ-CE1 4.25Å; F220-F252 HydrophobicContact CZ-CE2 4.26Å; F220-F252 AromaticContact CZ-CG 3.92Å; F220-F252 HydrophobicContact CZ-CG 3.92Å; F220-F252 HydrophobicContact CZ-CZ 4.37Å; L242-F252 HydrophobicContact CD2-CD2 4.45Å; Q248-F252 VanDerWaalsContact O-CD2 3.29Å; Q248-F252 WeakPolarHBondContact O-CD2 3.23Å; A249-F252 PolarHBondContact O-N 3.3Å; E250-F252 VanDerWaalsContact C-N 3.29Å; F252-P271 HydrophobicContact CB-CG 3.99Å; F252-P271 WeakPolarHBondContact O-CD 3.45Å; F252-I310 HydrophobicContact CD1-CG2 4.23Å; F252-S311 CarbonylContact C-O 3.58Å; F252-S311 VanDerWaalsContact CA-O 3.31Å; F252-S311 WeakPolarHBondContact CA-O 3.33Å; F252-M312 HydrophobicContact CD1-CG 4.01Å; F252-M312 HydrophobicContact CE1-CG 3.65Å; F252-C313 VanDerWaalsContact C-SG 3.57Å
253A98.5Very high95.8Very high28 Ų2867.2 Ų67.223%0.23131%0.306CS..EExtended strand (participates in β ladder)trans-123.1147.5163.800000108.7A269 I310 S311A253-A269 WeakPolarHBondContact CA-O 3.46Å; A253-I310 WeakPolarHBondContact O-CA 3.17Å; A253-S311 PolarHBondContact N-O 2.98Å; A253-S311 PolarHBondContact O-N 3.28Å
254Y98.6Very high95.9Very high5 Ų574.6 Ų74.62%0.0233%0.333CS..EExtended strand (participates in β ladder)trans-118.4148.9170.875.2-92.2000110V240 L256 W267 E268 A269 P271 T309V240-Y254 HydrophobicContact CB-CD1 3.71Å; V240-Y254 HydrophobicContact CB-CD2 3.94Å; V240-Y254 HydrophobicContact CB-CE1 3.97Å; V240-Y254 HydrophobicContact CB-CE2 4.19Å; V240-Y254 HydrophobicContact CB-CG 3.68Å; V240-Y254 HydrophobicContact CG1-CD1 4.48Å; V240-Y254 HydrophobicContact CG1-CG 4.38Å; V240-Y254 HydrophobicContact CG2-CD1 4.02Å; V240-Y254 HydrophobicContact CG2-CD2 3.28Å; V240-Y254 HydrophobicContact CG2-CE1 4.32Å; V240-Y254 HydrophobicContact CG2-CE2 3.65Å; V240-Y254 HydrophobicContact CG2-CG 3.47Å; V240-Y254 VanDerWaalsContact CG2-CG 3.47Å; Y254-L256 HydrophobicContact CD2-CD1 4.29Å; Y254-L256 HydrophobicContact CD2-CD2 4.22Å; Y254-L256 HydrophobicContact CD2-CG 3.74Å; Y254-L256 HydrophobicContact CE2-CD1 3.7Å; Y254-L256 HydrophobicContact CE2-CD2 4.45Å; Y254-L256 HydrophobicContact CE2-CG 3.63Å; Y254-W267 AromaticContact CE2-CD1 3.68Å; Y254-W267 AromaticContact CZ-CD1 3.91Å; Y254-W267 AromaticContact CZ-NE1 3.73Å; Y254-W267 PolarHBondContact OH-NE1 2.86Å; Y254-W267 VanDerWaalsContact OH-NE1 3.08Å; Y254-E268 VanDerWaalsContact O-CA 3.25Å; Y254-E268 WeakPolarHBondContact O-CA 3.48Å; Y254-A269 HydrophobicContact CD1-CB 4.49Å; Y254-A269 WeakPolarHBondContact CD1-O 3.46Å; Y254-A269 HydrophobicContact CE1-CB 3.72Å; Y254-A269 PolarHBondContact N-O 3.49Å; Y254-A269 PolarHBondContact O-N 3.43Å; Y254-P271 HydrophobicContact CD1-CB 4.34Å; Y254-P271 HydrophobicContact CD1-CG 3.95Å; Y254-T309 CarbonylContact C-O 3.53Å; Y254-T309 VanDerWaalsContact CA-O 3.28Å; Y254-T309 WeakPolarHBondContact CA-O 3.44Å
255R98.8Very high96.1Very high85 Ų8577.4 Ų77.432%0.32135%0.348SS..EExtended strand (participates in β ladder)trans-119.7126.2169.5179.1172.845.6-120.41.4109.3T266 W267 E268 V308 T309R255-T266 VanDerWaalsContact CD-CG2 3.45Å; R255-T266 HydrophobicContact CG-CG2 3.55Å; R255-W267 CarbonylContact C-O 3.56Å; R255-W267 WeakPolarHBondContact CA-O 3.45Å; R255-E268 HydrophobicContact CB-CG 3.8Å; R255-E268 VanDerWaalsContact CD-OE1 3.24Å; R255-E268 WeakPolarHBondContact CD-OE1 3.44Å; R255-E268 HydrophobicContact CG-CG 3.76Å; R255-E268 IonicContact CZ-OE1 3.5Å; R255-E268 IonicContact NE-OE1 2.71Å; R255-E268 IonicContact NH1-OE1 3.21Å; R255-E268 PolarHBondContact NH1-OE1 2.77Å; R255-V308 WeakPolarHBondContact O-CA 3.49Å; R255-T309 PolarHBondContact N-O 3.39Å; R255-T309 PolarHBondContact O-N 3.26Å
256L98.7Very high96.4Very high4 Ų477.7 Ų77.72%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-105.1130.6167.1-59.9176.8000108.9L222 A238 V240 Y254 T266 W267 L288 I306 N307 V308L222-L256 HydrophobicContact CD2-CD2 4.27Å; A238-L256 HydrophobicContact CB-CD1 3.75Å; A238-L256 WeakPolarHBondContact O-CD1 3.38Å; V240-L256 HydrophobicContact CG2-CD2 3.97Å; V240-L256 HydrophobicContact CG2-CG 4.45Å; Y254-L256 HydrophobicContact CD2-CD1 4.29Å; Y254-L256 HydrophobicContact CD2-CD2 4.22Å; Y254-L256 HydrophobicContact CD2-CG 3.74Å; Y254-L256 HydrophobicContact CE2-CD1 3.7Å; Y254-L256 HydrophobicContact CE2-CD2 4.45Å; Y254-L256 HydrophobicContact CE2-CG 3.63Å; L256-T266 CarbonylContact O-C 3.33Å; L256-T266 WeakPolarHBondContact O-CA 3.46Å; L256-W267 PolarHBondContact N-O 3.07Å; L256-W267 PolarHBondContact O-N 3.23Å; L256-L288 HydrophobicContact CB-CD2 3.78Å; L256-L288 HydrophobicContact CD1-CB 4.08Å; L256-L288 HydrophobicContact CD1-CD2 4.29Å; L256-I306 HydrophobicContact CB-CG2 4.13Å; L256-I306 HydrophobicContact CD2-CG2 4.1Å; L256-N307 WeakPolarHBondContact CA-O 3.4Å; L256-V308 HydrophobicContact CD2-CB 4.35Å; L256-V308 HydrophobicContact CD2-CG1 4Å; L256-V308 HydrophobicContact CD2-CG2 3.85Å
257E98.6Very high96.7Very high25 Ų2574.3 Ų74.312%0.11734%0.337CS..EExtended strand (participates in β ladder)trans-136.5126.5-177.7-175.6176.3109.200111.9N259 R264 L265 T266 N307E257-N259 PolarHBondContact OE1-ND2 3.33Å; E257-N259 PolarHBondContact OE1-OD1 2.76Å; E257-R264 VanDerWaalsContact CD-CD 3.4Å; E257-R264 HydrophobicContact CG-CG 3.69Å; E257-R264 WeakPolarHBondContact OE2-CD 3.48Å; E257-R264 IonicContact OE2-NE 4Å; E257-R264 IonicContact OE2-NH1 3.66Å; E257-L265 CarbonylContact C-O 3.54Å; E257-L265 WeakPolarHBondContact CA-O 3.24Å; E257-T266 PolarHBondContact OE2-OG1 3.28Å; E257-N307 HydrophobicContact CB-CB 4.17Å; E257-N307 PolarHBondContact N-O 3.07Å; E257-N307 PolarHBondContact O-N 3.34Å
258L98.3Very high97.1Very high0 Ų072.1 Ų72.10%033%0.329CS..EExtended strand (participates in β ladder)trans-98.6124.8168.9-54.4-178.2000108.5R264 L265 F290 F298 L304 I306L258-R264 WeakPolarHBondContact O-CA 3.44Å; L258-L265 HydrophobicContact CB-CB 4.34Å; L258-L265 HydrophobicContact CD1-CD2 4.21Å; L258-L265 PolarHBondContact N-O 3.21Å; L258-L265 PolarHBondContact O-N 2.99Å; L258-F290 HydrophobicContact CD1-CD1 4.12Å; L258-F290 HydrophobicContact CD1-CD2 4.45Å; L258-F290 HydrophobicContact CD1-CE1 4.01Å; L258-F290 HydrophobicContact CD1-CE2 4.34Å; L258-F290 HydrophobicContact CD1-CG 4.35Å; L258-F290 HydrophobicContact CD1-CZ 4.12Å; L258-F298 HydrophobicContact CB-CB 4.11Å; L258-F298 HydrophobicContact CB-CD1 3.76Å; L258-F298 HydrophobicContact CB-CD2 3.87Å; L258-F298 HydrophobicContact CB-CE1 4.07Å; L258-F298 HydrophobicContact CB-CE2 4.18Å; L258-F298 HydrophobicContact CB-CG 3.66Å; L258-F298 HydrophobicContact CB-CZ 4.27Å; L258-F298 HydrophobicContact CD1-CB 4.49Å; L258-F298 HydrophobicContact CD1-CD2 3.82Å; L258-F298 HydrophobicContact CD1-CE2 4.31Å; L258-F298 HydrophobicContact CD1-CG 4.25Å; L258-F298 WeakPolarHBondContact O-CE1 3.21Å; L258-L304 HydrophobicContact CD2-CD1 4.07Å; L258-L304 HydrophobicContact CD2-CD2 4.17Å; L258-L304 HydrophobicContact CD2-CG 4.12Å; L258-I306 HydrophobicContact CD2-CB 4.21Å; L258-I306 HydrophobicContact CD2-CD1 4.24Å; L258-I306 HydrophobicContact CD2-CG1 3.65Å; L258-I306 HydrophobicContact CD2-CG2 4.16Å
259N95.9Very high97.2Very high67 Ų6770.4 Ų70.436%0.35833%0.326SS..EExtended strand (participates in β ladder)trans-113.7131.9179.3-78.3-63.3000110.5E257 R264 F298 N307E257-N259 PolarHBondContact OE1-ND2 3.33Å; E257-N259 PolarHBondContact OE1-OD1 2.76Å; N259-R264 WeakPolarHBondContact OD1-CG 3.46Å; N259-F298 VanDerWaalsContact C-CD1 3.45Å; N259-N307 PolarHBondContact ND2-ND2 3.36Å
260G93.1Very high97.3Very high26 Ų2673.7 Ų73.727%0.26835%0.346SS..EExtended strand (participates in β ladder)trans-143.3178.2178.100000110.1R262 R263G260-R262 PolarHBondContact O-N 3.16Å; G260-R263 PolarHBondContact N-O 3.12Å; G260-R263 PolarHBondContact O-N 3.33Å; G260-R263 VanDerWaalsContact O-N 3.13Å; G260-R263 VanDerWaalsContact O-O 3.04Å
261H92.1Very high97.3Very high158 Ų15868.8 Ų68.873%0.73132%0.323SS*.THydrogen-bonded Turntrans-61107.6-176.8-176-91.9000111.7R263H261-R263 PolarHBondContact O-N 3.26Å
262R94.6Very high97.2Very high232 Ų23268.3 Ų68.388%0.87532%0.315SS*.THydrogen-bonded Turntrans57.825.8-177.2-55.9179.366.41772.1114.3G260G260-R262 PolarHBondContact O-N 3.16Å
263R96.1Very high97.1Very high139 Ų13968 Ų6853%0.52531%0.314SS..EExtended strand (participates in β ladder)trans-140.3147.8-179.6-62.2-179.7-173.1121.5-2.5110G260 H261 F298G260-R263 PolarHBondContact N-O 3.12Å; G260-R263 PolarHBondContact O-N 3.33Å; G260-R263 VanDerWaalsContact O-N 3.13Å; G260-R263 VanDerWaalsContact O-O 3.04Å; H261-R263 PolarHBondContact O-N 3.26Å; R263-F298 HydrophobicContact CB-CE1 4.08Å; R263-F298 HydrophobicContact CB-CZ 4.27Å
264R97.4Very high96.8Very high170 Ų17067.4 Ų67.464%0.64231%0.307SS*.EExtended strand (participates in β ladder)trans-147.8133.4178.8-172.1169.469.2162.7-2.4109.4E257 L258 N259E257-R264 VanDerWaalsContact CD-CD 3.4Å; E257-R264 HydrophobicContact CG-CG 3.69Å; E257-R264 WeakPolarHBondContact OE2-CD 3.48Å; E257-R264 IonicContact OE2-NE 4Å; E257-R264 IonicContact OE2-NH1 3.66Å; L258-R264 WeakPolarHBondContact O-CA 3.44Å; N259-R264 WeakPolarHBondContact OD1-CG 3.46Å
265L98.1Very high96.3Very high58 Ų5868.7 Ų68.730%0.30431%0.313SS..EExtended strand (participates in β ladder)trans-120.7126.3171.4178.963.6000107.9E257 L258 L288 F290 I294 F298E257-L265 CarbonylContact C-O 3.54Å; E257-L265 WeakPolarHBondContact CA-O 3.24Å; L258-L265 HydrophobicContact CB-CB 4.34Å; L258-L265 HydrophobicContact CD1-CD2 4.21Å; L258-L265 PolarHBondContact N-O 3.21Å; L258-L265 PolarHBondContact O-N 2.99Å; L265-L288 HydrophobicContact CD2-CD1 3.93Å; L265-L288 HydrophobicContact CG-CD1 4.08Å; L265-F290 HydrophobicContact CD2-CB 4.48Å; L265-I294 HydrophobicContact CD2-CG2 4.17Å; L265-F298 HydrophobicContact CB-CE2 4.04Å; L265-F298 HydrophobicContact CB-CZ 3.88Å
266T98.4Very high95.7Very high58 Ų5867.9 Ų67.936%0.35631%0.313SS..EExtended strand (participates in β ladder)trans-130138.1-173.7-51.30000109.9R255 L256 E257 E268R255-T266 VanDerWaalsContact CD-CG2 3.45Å; R255-T266 HydrophobicContact CG-CG2 3.55Å; L256-T266 CarbonylContact O-C 3.33Å; L256-T266 WeakPolarHBondContact O-CA 3.46Å; E257-T266 PolarHBondContact OE2-OG1 3.28Å; T266-E268 HydrophobicContact CG2-CG 4.37Å
267W98.6Very high95.2Very high74 Ų7468.8 Ų68.828%0.2832%0.323SS..EExtended strand (participates in β ladder)trans-129.7132.8170.4172-90.1000109.2Y254 R255 L256 A269 L288Y254-W267 AromaticContact CE2-CD1 3.68Å; Y254-W267 AromaticContact CZ-CD1 3.91Å; Y254-W267 AromaticContact CZ-NE1 3.73Å; Y254-W267 PolarHBondContact OH-NE1 2.86Å; Y254-W267 VanDerWaalsContact OH-NE1 3.08Å; R255-W267 CarbonylContact C-O 3.56Å; R255-W267 WeakPolarHBondContact CA-O 3.45Å; L256-W267 PolarHBondContact N-O 3.07Å; L256-W267 PolarHBondContact O-N 3.23Å; W267-A269 HydrophobicContact CZ2-CB 4.11Å; W267-L288 HydrophobicContact CB-CB 3.74Å; W267-L288 HydrophobicContact CB-CD1 3.95Å; W267-L288 HydrophobicContact CB-CG 4.26Å; W267-L288 HydrophobicContact CG-CB 3.93Å
268E98.4Very high94.9Very high120 Ų12068.4 Ų68.456%0.56132%0.322SS*.EExtended strand (participates in β ladder)trans-124.9133.3175.5-65.3-173.6167.100109.3Y254 R255 T266Y254-E268 VanDerWaalsContact O-CA 3.25Å; Y254-E268 WeakPolarHBondContact O-CA 3.48Å; R255-E268 HydrophobicContact CB-CG 3.8Å; R255-E268 VanDerWaalsContact CD-OE1 3.24Å; R255-E268 WeakPolarHBondContact CD-OE1 3.44Å; R255-E268 HydrophobicContact CG-CG 3.76Å; R255-E268 IonicContact CZ-OE1 3.5Å; R255-E268 IonicContact NE-OE1 2.71Å; R255-E268 IonicContact NH1-OE1 3.21Å; R255-E268 PolarHBondContact NH1-OE1 2.77Å; T266-E268 HydrophobicContact CG2-CG 4.37Å
269A98.2Very high94.5Very high27 Ų2772 Ų7222%0.22335%0.351CS..EExtended strand (participates in β ladder)trans-157.8172.2175.800000111.3A253 Y254 W267A253-A269 WeakPolarHBondContact CA-O 3.46Å; Y254-A269 HydrophobicContact CD1-CB 4.49Å; Y254-A269 WeakPolarHBondContact CD1-O 3.46Å; Y254-A269 HydrophobicContact CE1-CB 3.72Å; Y254-A269 PolarHBondContact N-O 3.49Å; Y254-A269 PolarHBondContact O-N 3.43Å; W267-A269 HydrophobicContact CZ2-CB 4.11Å
270T98.1Very high94.2Very high72 Ų7272.6 Ų72.644%0.44236%0.357SS..PPolyproline II helixtrans-76.7135.1168.9-57.40000109.7A249A249-T270 VanDerWaalsContact O-CG2 3.26Å; A249-T270 WeakPolarHBondContact O-CG2 3.42Å
271P97.8Very high94.2Very high4 Ų471.6 Ų71.63%0.02635%0.346CS..PPolyproline II helixtrans-56.8145.4175.8-23.833.3000111.9F220 V240 L242 A249 F252 Y254F220-P271 HydrophobicContact CD1-CB 4.28Å; F220-P271 HydrophobicContact CD1-CG 4.2Å; F220-P271 HydrophobicContact CE1-CB 4.34Å; F220-P271 HydrophobicContact CE1-CG 3.97Å; V240-P271 HydrophobicContact CG1-CB 4.41Å; L242-P271 HydrophobicContact CB-CB 4.17Å; A249-P271 WeakPolarHBondContact CB-O 3.45Å; F252-P271 HydrophobicContact CB-CG 3.99Å; F252-P271 WeakPolarHBondContact O-CD 3.45Å; Y254-P271 HydrophobicContact CD1-CB 4.34Å; Y254-P271 HydrophobicContact CD1-CG 3.95Å
272R95.6Very high94.3Very high74 Ų7464.4 Ų64.428%0.27931%0.313SS..EExtended strand (participates in β ladder)trans-78.3139.9172.1-68.8-60.9-174.5174.6-7.1110.9I239 V240 Q241 L242 E276 D286I239-R272 HydrophobicContact CD1-CG 3.88Å; V240-R272 PolarHBondContact O-N 3.43Å; Q241-R272 CarbonylContact C-O 3.56Å; Q241-R272 WeakPolarHBondContact CA-O 3.38Å; Q241-R272 HydrophobicContact CB-CB 4.43Å; Q241-R272 WeakPolarHBondContact CB-O 3.33Å; L242-R272 PolarHBondContact N-O 3.11Å; R272-E276 IonicContact NH1-OE2 2.61Å; R272-E276 PolarHBondContact NH1-OE2 3.49Å; R272-E276 VanDerWaalsContact NH1-OE2 3.1Å; R272-D286 IonicContact CZ-OD2 3.37Å; R272-D286 IonicContact NH2-OD2 3.4Å; R272-D286 PolarHBondContact NH2-OD2 3.46Å
273S94.8Very high94.1Very high1 Ų160.1 Ų60.11%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-72.8142.2169.3168.60000109.8G244 H275 E276 G277G244-S273 PolarHBondContact O-OG 2.71Å; S273-H275 PolarHBondContact O-N 2.91Å; S273-H275 WeakPolarHBondContact OG-CB 3.4Å; S273-H275 PolarHBondContact OG-N 2.72Å; S273-E276 PolarHBondContact O-N 3.43Å; S273-G277 PolarHBondContact O-N 2.79Å
274I92.9Very high94.1Very high16 Ų1658.6 Ų58.68%0.08231%0.307CS..THydrogen-bonded Turntrans-58.5-14169.253.4162.8000113.9Y157 P160 L172 V175 Q241 L242 I243Y157-I274 HydrophobicContact CD1-CB 4.42Å; Y157-I274 HydrophobicContact CD1-CD1 3.46Å; Y157-I274 VanDerWaalsContact CD1-CD1 3.46Å; Y157-I274 HydrophobicContact CD1-CG1 3.62Å; Y157-I274 HydrophobicContact CE1-CD1 3.89Å; Y157-I274 HydrophobicContact CE1-CG1 3.69Å; Y157-I274 HydrophobicContact CG-CD1 4.18Å; P160-I274 HydrophobicContact CB-CB 4.26Å; P160-I274 HydrophobicContact CB-CG2 3.57Å; P160-I274 HydrophobicContact CG-CG2 4.25Å; L172-I274 HydrophobicContact CD1-CD1 3.74Å; L172-I274 HydrophobicContact CD1-CG1 4.45Å; V175-I274 HydrophobicContact CB-CD1 4.45Å; V175-I274 HydrophobicContact CG1-CD1 4.08Å; V175-I274 HydrophobicContact CG2-CD1 3.98Å; Q241-I274 HydrophobicContact CG-CG2 4.25Å; L242-I274 WeakPolarHBondContact O-CG2 3.28Å; L242-I274 PolarHBondContact O-N 2.6Å; L242-I274 VanDerWaalsContact O-N 3.1Å; I243-I274 HydrophobicContact CD1-CD1 4.42Å; I243-I274 HydrophobicContact CD1-CG2 3.53Å; I243-I274 HydrophobicContact CG2-CD1 3.95Å
275H87.3Confident93.9Very high33 Ų3353.7 Ų53.715%0.15330%0.299CS..THydrogen-bonded Turntrans-69.9-42.2171.9-160.378.3000112C152 Y157 S273C152-H275 PolarHBondContact O-CE1 3.45Å; C152-H275 VanDerWaalsContact O-CE1 3.23Å; C152-H275 PolarHBondContact O-NE2 3.4Å; Y157-H275 HydrophobicContact CE1-CB 3.71Å; Y157-H275 AromaticContact CE1-ND1 3.7Å; Y157-H275 AromaticContact CZ-ND1 3.74Å; S273-H275 PolarHBondContact O-N 2.91Å; S273-H275 WeakPolarHBondContact OG-CB 3.4Å; S273-H275 PolarHBondContact OG-N 2.72Å
276E86Confident93.9Very high67 Ų6753.8 Ų53.831%0.31330%0.3SS..THydrogen-bonded Turntrans-77.3-32.7176-60.2-174.6150.600110.8R246 R272 S273R246-E276 WeakPolarHBondContact CD-OE1 3.32Å; R246-E276 IonicContact CZ-OE1 2.88Å; R246-E276 IonicContact NE-OE1 3.1Å; R246-E276 IonicContact NH1-OE1 3.9Å; R246-E276 PolarHBondContact NH1-OE1 2.95Å; R272-E276 IonicContact NH1-OE2 2.61Å; R272-E276 PolarHBondContact NH1-OE2 3.49Å; R272-E276 VanDerWaalsContact NH1-OE2 3.1Å; S273-E276 PolarHBondContact O-N 3.43Å
277G88.7Confident93.8Very high23 Ų2351.2 Ų51.224%0.23728%0.284CS..  trans70.4-170.7-172.400000112.2S273S273-G277 PolarHBondContact O-N 2.79Å
278I91.8Very high93.8Very high18 Ų1848 Ų489%0.09227%0.272CS..SBendtrans-116.5-13.9-173.363175.5000114.3V223 I239 Q241 T280 A281 I282V223-I278 HydrophobicContact CB-CD1 4.04Å; V223-I278 HydrophobicContact CG1-CD1 3.84Å; V223-I278 HydrophobicContact CG2-CD1 3.95Å; I239-I278 HydrophobicContact CD1-CB 4.29Å; I239-I278 HydrophobicContact CD1-CG2 4.13Å; I239-I278 HydrophobicContact CG2-CB 4.07Å; I239-I278 HydrophobicContact CG2-CD1 4.09Å; I239-I278 HydrophobicContact CG2-CG2 3.89Å; Q241-I278 HydrophobicContact CB-CG2 4.03Å; Q241-I278 HydrophobicContact CG-CG2 4.49Å; I278-T280 PolarHBondContact O-N 3.44Å; I278-A281 PolarHBondContact O-N 3.14Å; I278-A281 VanDerWaalsContact O-N 3.14Å; I278-I282 HydrophobicContact CB-CD1 4.45Å; I278-I282 HydrophobicContact CD1-CD1 4.13Å; I278-I282 HydrophobicContact CG1-CD1 4.19Å; I278-I282 WeakPolarHBondContact O-CG1 3.16Å; I278-I282 PolarHBondContact O-N 3.46Å
279A90.4Very high93.8Very high75 Ų7544.3 Ų44.362%0.6226%0.258SS*.Hα-helixtrans-59.2-45.7-17400000112.6I282 M283A279-I282 PolarHBondContact O-N 2.93Å; A279-M283 WeakPolarHBondContact O-CB 3.13Å; A279-M283 PolarHBondContact O-N 3.46Å
280T90.6Very high93.7Very high79 Ų7943.2 Ų43.249%0.48525%0.248SC..Hα-helixtrans-66.8-36.8178-51.40000111.9I278 M283 N284I278-T280 PolarHBondContact O-N 3.44Å; T280-M283 HydrophobicContact CG2-CE 4.42Å; T280-M283 PolarHBondContact O-N 2.83Å; T280-N284 WeakPolarHBondContact O-CB 3.46Å; T280-N284 VanDerWaalsContact O-CG 3.27Å; T280-N284 PolarHBondContact O-N 3.25Å; T280-N284 PolarHBondContact O-ND2 2.76Å
281A93.1Very high93.6Very high5 Ų542.9 Ų42.94%0.04124%0.244CC..Hα-helixtrans-65.5-44.5176.800000111.3I239 I278 N284 S285 D286I239-A281 HydrophobicContact CD1-CB 3.55Å; I278-A281 PolarHBondContact O-N 3.14Å; I278-A281 VanDerWaalsContact O-N 3.14Å; A281-N284 CarbonylContact O-C 3.58Å; A281-N284 PolarHBondContact O-N 3.29Å; A281-S285 PolarHBondContact O-N 2.87Å; A281-S285 VanDerWaalsContact O-N 3.09Å; A281-D286 PolarHBondContact O-N 2.99Å
282I92.8Very high93.4Very high7 Ų744.5 Ų44.54%0.03625%0.253CS..Hα-helixtrans-62.3-46.6175.3-68.5173.7000110.9E225 F237 I278 A279 N284 S285E225-I282 VanDerWaalsContact OE2-CD1 3.28Å; E225-I282 WeakPolarHBondContact OE2-CD1 3.27Å; F237-I282 HydrophobicContact CB-CD1 4.49Å; F237-I282 HydrophobicContact CB-CG1 4.22Å; F237-I282 HydrophobicContact CB-CG2 4.27Å; F237-I282 HydrophobicContact CD1-CG2 3.78Å; F237-I282 HydrophobicContact CD2-CG2 4.24Å; F237-I282 HydrophobicContact CE1-CG2 4.15Å; F237-I282 HydrophobicContact CG-CG2 3.84Å; I278-I282 HydrophobicContact CB-CD1 4.45Å; I278-I282 HydrophobicContact CD1-CD1 4.13Å; I278-I282 HydrophobicContact CG1-CD1 4.19Å; I278-I282 WeakPolarHBondContact O-CG1 3.16Å; I278-I282 PolarHBondContact O-N 3.46Å; A279-I282 PolarHBondContact O-N 2.93Å; I282-N284 PolarHBondContact O-N 3.45Å; I282-S285 PolarHBondContact O-N 2.89Å
283M91.8Very high93.3Very high142 Ų14245.2 Ų45.270%0.727%0.27SS*.Hα-helixtrans-58.2-37.5177.8-174.9178.967.400112.3A279 T280 S285A279-M283 WeakPolarHBondContact O-CB 3.13Å; A279-M283 PolarHBondContact O-N 3.46Å; T280-M283 HydrophobicContact CG2-CE 4.42Å; T280-M283 PolarHBondContact O-N 2.83Å; M283-S285 VanDerWaalsContact C-N 3.33Å
284N94.8Very high93.3Very high107 Ų10747.8 Ų47.857%0.57228%0.283SS*.THydrogen-bonded Turntrans-87.11.3179.4-66.9-21.6000113.7T280 A281 I282 D286T280-N284 WeakPolarHBondContact O-CB 3.46Å; T280-N284 VanDerWaalsContact O-CG 3.27Å; T280-N284 PolarHBondContact O-N 3.25Å; T280-N284 PolarHBondContact O-ND2 2.76Å; A281-N284 CarbonylContact O-C 3.58Å; A281-N284 PolarHBondContact O-N 3.29Å; I282-N284 PolarHBondContact O-N 3.45Å; N284-D286 PolarHBondContact O-N 2.92Å
285S94.6Very high93.5Very high67 Ų6747.1 Ų47.147%0.46928%0.28SS..THydrogen-bonded Turntrans55.132-172.9-530000113.4A281 I282 M283 C287A281-S285 PolarHBondContact O-N 2.87Å; A281-S285 VanDerWaalsContact O-N 3.09Å; I282-S285 PolarHBondContact O-N 2.89Å; M283-S285 VanDerWaalsContact C-N 3.33Å; S285-C287 VanDerWaalsContact C-N 3.25Å; S285-C287 PolarHBondContact O-N 2.93Å
286D96.9Very high93.8Very high61 Ų6150.3 Ų50.333%0.32630%0.295SS..  trans-91.559.7176.2-174.625.6000110.5R272 A281 N284R272-D286 IonicContact CZ-OD2 3.37Å; R272-D286 IonicContact NH2-OD2 3.4Å; R272-D286 PolarHBondContact NH2-OD2 3.46Å; A281-D286 PolarHBondContact O-N 2.99Å; N284-D286 PolarHBondContact O-N 2.92Å
287C97.8Very high94.3Very high4 Ų451.4 Ų51.43%0.02730%0.302CS..SBendtrans-165.3-179177.562.90000109.9A238 I239 S285 V289A238-C287 WeakPolarHBondContact O-CB 3.44Å; I239-C287 HydrophobicContact CB-CB 3.89Å; I239-C287 HydrophobicContact CD1-CB 4.01Å; I239-C287 HydrophobicContact CG1-CB 4.03Å; S285-C287 VanDerWaalsContact C-N 3.25Å; S285-C287 PolarHBondContact O-N 2.93Å; C287-V289 PolarHBondContact O-N 3.17Å
288L98.3Very high94.7Very high6 Ų651.4 Ų51.43%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-72.6112.1173.4173.860.4000109.3A238 L256 L265 W267 F290A238-L288 HydrophobicContact CB-CB 4.15Å; A238-L288 HydrophobicContact CB-CD2 4.29Å; A238-L288 HydrophobicContact CB-CG 4.43Å; A238-L288 PolarHBondContact N-O 2.96Å; A238-L288 PolarHBondContact O-N 3.16Å; L256-L288 HydrophobicContact CB-CD2 3.78Å; L256-L288 HydrophobicContact CD1-CB 4.08Å; L256-L288 HydrophobicContact CD1-CD2 4.29Å; L265-L288 HydrophobicContact CD2-CD1 3.93Å; L265-L288 HydrophobicContact CG-CD1 4.08Å; W267-L288 HydrophobicContact CB-CB 3.74Å; W267-L288 HydrophobicContact CB-CD1 3.95Å; W267-L288 HydrophobicContact CB-CG 4.26Å; W267-L288 HydrophobicContact CG-CB 3.93Å; L288-F290 HydrophobicContact CD1-CD1 4.37Å; L288-F290 HydrophobicContact CD2-CD1 4.45Å; L288-F290 HydrophobicContact CD2-CE1 4.24Å; L288-F290 HydrophobicContact CG-CD1 3.99Å; L288-F290 HydrophobicContact CG-CE1 4.14Å
289V97.6Very high94.9Very high43 Ų4351.6 Ų51.626%0.26130%0.3SS..EExtended strand (participates in β ladder)trans-114.4133179.5-172.40000110.7F236 F237 C287F236-V289 WeakPolarHBondContact O-CA 3.43Å; F237-V289 HydrophobicContact CD1-CB 4.44Å; F237-V289 HydrophobicContact CD1-CG1 4.15Å; F237-V289 HydrophobicContact CD1-CG2 3.57Å; F237-V289 HydrophobicContact CE1-CB 4.47Å; F237-V289 HydrophobicContact CE1-CG1 3.83Å; F237-V289 HydrophobicContact CE1-CG2 3.76Å; F237-V289 HydrophobicContact CZ-CG1 4.26Å; C287-V289 PolarHBondContact O-N 3.17Å
290F96.9Very high95.1Very high4 Ų455.3 Ų55.32%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-151.1155.7174.255.2-85.5000111.6L224 F236 L258 L265 L288 I294 A295 L304L224-F290 HydrophobicContact CD1-CE1 4.36Å; L224-F290 HydrophobicContact CD1-CZ 3.96Å; F236-F290 HydrophobicContact CB-CD1 4.27Å; F236-F290 HydrophobicContact CB-CD2 3.78Å; F236-F290 HydrophobicContact CB-CE1 3.93Å; F236-F290 HydrophobicContact CB-CE2 3.4Å; F236-F290 VanDerWaalsContact CB-CE2 3.4Å; F236-F290 HydrophobicContact CB-CG 4.2Å; F236-F290 HydrophobicContact CB-CZ 3.48Å; F236-F290 VanDerWaalsContact CB-CZ 3.48Å; F236-F290 HydrophobicContact CD1-CE2 4.31Å; F236-F290 AromaticContact CD2-CD2 4Å; F236-F290 HydrophobicContact CD2-CD2 4Å; F236-F290 AromaticContact CD2-CE2 3.79Å; F236-F290 HydrophobicContact CD2-CE2 3.79Å; F236-F290 HydrophobicContact CG-CD2 4.12Å; F236-F290 AromaticContact CG-CE2 3.58Å; F236-F290 HydrophobicContact CG-CE2 3.58Å; F236-F290 HydrophobicContact CG-CZ 4.02Å; F236-F290 PolarHBondContact N-O 3.43Å; F236-F290 PolarHBondContact O-N 3.25Å; F236-F290 VanDerWaalsContact O-N 3.11Å; L258-F290 HydrophobicContact CD1-CD1 4.12Å; L258-F290 HydrophobicContact CD1-CD2 4.45Å; L258-F290 HydrophobicContact CD1-CE1 4.01Å; L258-F290 HydrophobicContact CD1-CE2 4.34Å; L258-F290 HydrophobicContact CD1-CG 4.35Å; L258-F290 HydrophobicContact CD1-CZ 4.12Å; L265-F290 HydrophobicContact CD2-CB 4.48Å; L288-F290 HydrophobicContact CD1-CD1 4.37Å; L288-F290 HydrophobicContact CD2-CD1 4.45Å; L288-F290 HydrophobicContact CD2-CE1 4.24Å; L288-F290 HydrophobicContact CG-CD1 3.99Å; L288-F290 HydrophobicContact CG-CE1 4.14Å; F290-I294 HydrophobicContact CB-CB 3.96Å; F290-I294 HydrophobicContact CB-CD1 4.08Å; F290-I294 HydrophobicContact CB-CG2 3.7Å; F290-I294 HydrophobicContact CD2-CG2 4.37Å; F290-I294 HydrophobicContact CG-CG2 4.28Å; F290-A295 HydrophobicContact CD2-CB 3.92Å; F290-A295 HydrophobicContact CE2-CB 3.76Å; F290-L304 HydrophobicContact CE2-CD2 3.74Å; F290-L304 HydrophobicContact CZ-CD2 3.57Å
291D95.1Very high95.1Very high65 Ų6559 Ų5935%0.34832%0.321SS..EExtended strand (participates in β ladder)trans-90.1174.1176.964.532.8000112S293 I294 A295D291-S293 PolarHBondContact O-N 3.14Å; D291-S293 WeakPolarHBondContact OD1-CA 3.38Å; D291-S293 VanDerWaalsContact OD1-CB 3.3Å; D291-S293 WeakPolarHBondContact OD1-CB 3.22Å; D291-S293 PolarHBondContact OD1-N 3.08Å; D291-I294 PolarHBondContact O-N 3.26Å; D291-I294 WeakPolarHBondContact OD1-CG1 3.16Å; D291-I294 PolarHBondContact OD1-N 3.28Å; D291-A295 PolarHBondContact O-N 2.97Å
292T93.3Very high95.1Very high37 Ų3759.6 Ų59.623%0.22733%0.328CS..Hα-helixtrans-60.4-31.9177-510000113Q234 A295 Q296Q234-T292 WeakPolarHBondContact CB-OG1 3.43Å; T292-A295 PolarHBondContact O-N 3.18Å; T292-Q296 HydrophobicContact CG2-CG 4.44Å; T292-Q296 WeakPolarHBondContact O-CG 3.35Å; T292-Q296 PolarHBondContact O-N 3.45Å
293S93.6Very high95.2Very high89 Ų8961.5 Ų61.562%0.62234%0.339SS*.Hα-helixtrans-66.8-42.6178.7-60.90000111.2D291 L297D291-S293 PolarHBondContact O-N 3.14Å; D291-S293 WeakPolarHBondContact OD1-CA 3.38Å; D291-S293 VanDerWaalsContact OD1-CB 3.3Å; D291-S293 WeakPolarHBondContact OD1-CB 3.22Å; D291-S293 PolarHBondContact OD1-N 3.08Å; S293-L297 PolarHBondContact O-N 3.2Å
294I95.6Very high95.5Very high56 Ų5654.8 Ų54.829%0.28731%0.305SS..Hα-helixtrans-64.9-46.4173.1-66.8171.7000110.1L265 F290 D291 Q296 L297 F298L265-I294 HydrophobicContact CD2-CG2 4.17Å; F290-I294 HydrophobicContact CB-CB 3.96Å; F290-I294 HydrophobicContact CB-CD1 4.08Å; F290-I294 HydrophobicContact CB-CG2 3.7Å; F290-I294 HydrophobicContact CD2-CG2 4.37Å; F290-I294 HydrophobicContact CG-CG2 4.28Å; D291-I294 PolarHBondContact O-N 3.26Å; D291-I294 WeakPolarHBondContact OD1-CG1 3.16Å; D291-I294 PolarHBondContact OD1-N 3.28Å; I294-Q296 PolarHBondContact O-N 3.07Å; I294-L297 WeakPolarHBondContact O-CB 3.45Å; I294-L297 PolarHBondContact O-N 2.68Å; I294-F298 HydrophobicContact CG2-CD2 3.85Å; I294-F298 HydrophobicContact CG2-CE2 3.72Å; I294-F298 VanDerWaalsContact O-CD2 3.24Å; I294-F298 WeakPolarHBondContact O-CD2 3.36Å
295A95.8Very high95.6Very high1 Ų150.8 Ų50.81%0.00829%0.29CS..Hα-helixtrans-54.3-42.2179.400000111.9I201 F236 F290 D291 T292 L297 F298 A299I201-A295 HydrophobicContact CD1-CB 4.12Å; F236-A295 HydrophobicContact CD2-CB 4.17Å; F236-A295 HydrophobicContact CE2-CB 3.9Å; F236-A295 HydrophobicContact CZ-CB 4.45Å; F290-A295 HydrophobicContact CD2-CB 3.92Å; F290-A295 HydrophobicContact CE2-CB 3.76Å; D291-A295 PolarHBondContact O-N 2.97Å; T292-A295 PolarHBondContact O-N 3.18Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 PolarHBondContact O-N 3.5Å; A295-F298 PolarHBondContact O-N 2.9Å; A295-F298 VanDerWaalsContact O-N 3.15Å; A295-A299 VanDerWaalsContact O-CB 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.24Å; A295-A299 PolarHBondContact O-N 3.31Å
296Q94.1Very high95.8Very high100 Ų10047.7 Ų47.747%0.46727%0.268SS..Hα-helixtrans-65.6-26.5178.2-71.5-79.2-17.300114N202 T292 I294 F298N202-Q296 PolarHBondContact ND2-NE2 2.85Å; N202-Q296 PolarHBondContact OD1-NE2 3.33Å; T292-Q296 HydrophobicContact CG2-CG 4.44Å; T292-Q296 WeakPolarHBondContact O-CG 3.35Å; T292-Q296 PolarHBondContact O-N 3.45Å; I294-Q296 PolarHBondContact O-N 3.07Å; Q296-F298 VanDerWaalsContact C-N 3.25Å; Q296-F298 PolarHBondContact O-N 3.29Å
297L96.3Very high95.9Very high91 Ų9147.2 Ų47.248%0.47627%0.265SS..Hα-helixtrans-73.1-20.7175.5-64.8174.8000113S293 I294 A295S293-L297 PolarHBondContact O-N 3.2Å; I294-L297 WeakPolarHBondContact O-CB 3.45Å; I294-L297 PolarHBondContact O-N 2.68Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 PolarHBondContact O-N 3.5Å
298F97.1Very high95.9Very high22 Ų2247 Ų4710%0.09626%0.264CS..Hα-helixtrans-112.2-12.3-175.7-67.3-67.6000113.3L258 N259 R263 L265 I294 A295 Q296 L304L258-F298 HydrophobicContact CB-CB 4.11Å; L258-F298 HydrophobicContact CB-CD1 3.76Å; L258-F298 HydrophobicContact CB-CD2 3.87Å; L258-F298 HydrophobicContact CB-CE1 4.07Å; L258-F298 HydrophobicContact CB-CE2 4.18Å; L258-F298 HydrophobicContact CB-CG 3.66Å; L258-F298 HydrophobicContact CB-CZ 4.27Å; L258-F298 HydrophobicContact CD1-CB 4.49Å; L258-F298 HydrophobicContact CD1-CD2 3.82Å; L258-F298 HydrophobicContact CD1-CE2 4.31Å; L258-F298 HydrophobicContact CD1-CG 4.25Å; L258-F298 WeakPolarHBondContact O-CE1 3.21Å; N259-F298 VanDerWaalsContact C-CD1 3.45Å; R263-F298 HydrophobicContact CB-CE1 4.08Å; R263-F298 HydrophobicContact CB-CZ 4.27Å; L265-F298 HydrophobicContact CB-CE2 4.04Å; L265-F298 HydrophobicContact CB-CZ 3.88Å; I294-F298 HydrophobicContact CG2-CD2 3.85Å; I294-F298 HydrophobicContact CG2-CE2 3.72Å; I294-F298 VanDerWaalsContact O-CD2 3.24Å; I294-F298 WeakPolarHBondContact O-CD2 3.36Å; A295-F298 PolarHBondContact O-N 2.9Å; A295-F298 VanDerWaalsContact O-N 3.15Å; Q296-F298 VanDerWaalsContact C-N 3.25Å; Q296-F298 PolarHBondContact O-N 3.29Å; F298-L304 HydrophobicContact CB-CD1 3.67Å
299A96.3Very high95.9Very high22 Ų2248 Ų4818%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-85.8144-179.200000112.4I201 A295 N303 L304I201-A299 HydrophobicContact CD1-CB 3.5Å; A295-A299 VanDerWaalsContact O-CB 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.24Å; A295-A299 PolarHBondContact O-N 3.31Å; A299-N303 CarbonylContact C-O 3.43Å; A299-N303 VanDerWaalsContact CA-O 3.23Å; A299-N303 WeakPolarHBondContact CA-O 3.5Å; A299-N303 WeakPolarHBondContact CB-O 3.32Å; A299-L304 HydrophobicContact CB-CD1 4.45Å
300E94.3Very high96Very high153 Ų15346 Ų4672%0.71526%0.258SS*.EExtended strand (participates in β ladder)trans-121.2125.7172.1-67.8-173.517600109.2G302 N303E300-G302 PolarHBondContact O-N 3.19Å; E300-G302 VanDerWaalsContact O-N 3.15Å; E300-N303 PolarHBondContact N-O 3Å; E300-N303 PolarHBondContact O-N 3.31Å
301N92.1Very high96Very high157 Ų15748.5 Ų48.584%0.8428%0.276SS*.THydrogen-bonded Turntrans5333.8-178.3-56.2-39.6000114N303N301-N303 VanDerWaalsContact C-N 3.26Å; N301-N303 PolarHBondContact O-N 3.41Å
302G91.4Very high96.1Very high18 Ų1851.4 Ų51.419%0.18629%0.289CS..THydrogen-bonded Turntrans79.43.2-178.300000114.9D200 I201 E300D200-G302 WeakPolarHBondContact CA-O 3.38Å; D200-G302 PolarHBondContact N-O 3.17Å; I201-G302 PolarHBondContact N-O 2.71Å; E300-G302 PolarHBondContact O-N 3.19Å; E300-G302 VanDerWaalsContact O-N 3.15Å
303N96Very high96Very high47 Ų4755.7 Ų55.725%0.25132%0.319SS..EExtended strand (participates in β ladder)trans-105.1138.4176-53.2-46.9000110.3L197 A198 T199 D200 A299 E300 N301L197-N303 HydrophobicContact CD1-CB 3.87Å; L197-N303 HydrophobicContact CG-CB 4.39Å; A198-N303 CarbonylContact O-C 3.58Å; A198-N303 WeakPolarHBondContact O-CA 3.14Å; T199-N303 VanDerWaalsContact CA-OD1 3.25Å; T199-N303 WeakPolarHBondContact CA-OD1 3.01Å; D200-N303 PolarHBondContact N-OD1 3.18Å; A299-N303 CarbonylContact C-O 3.43Å; A299-N303 VanDerWaalsContact CA-O 3.23Å; A299-N303 WeakPolarHBondContact CA-O 3.5Å; A299-N303 WeakPolarHBondContact CB-O 3.32Å; E300-N303 PolarHBondContact N-O 3Å; E300-N303 PolarHBondContact O-N 3.31Å; N301-N303 VanDerWaalsContact C-N 3.26Å; N301-N303 PolarHBondContact O-N 3.41Å
304L97.5Very high96.2Very high0 Ų054.1 Ų54.10%030%0.304CS..EExtended strand (participates in β ladder)trans-108.4116.5176.6-174.967.8000109.7A198 I201 L258 F290 F298 A299 I306A198-L304 HydrophobicContact CB-CB 4.4Å; A198-L304 PolarHBondContact N-O 2.63Å; A198-L304 PolarHBondContact O-N 3.18Å; I201-L304 HydrophobicContact CD1-CB 4.03Å; I201-L304 HydrophobicContact CG2-CB 3.73Å; L258-L304 HydrophobicContact CD2-CD1 4.07Å; L258-L304 HydrophobicContact CD2-CD2 4.17Å; L258-L304 HydrophobicContact CD2-CG 4.12Å; F290-L304 HydrophobicContact CE2-CD2 3.74Å; F290-L304 HydrophobicContact CZ-CD2 3.57Å; F298-L304 HydrophobicContact CB-CD1 3.67Å; A299-L304 HydrophobicContact CB-CD1 4.45Å; L304-I306 HydrophobicContact CD2-CD1 4.34Å; L304-I306 HydrophobicContact CD2-CG1 4.37Å; L304-I306 HydrophobicContact CG-CG1 4.28Å
305G97.3Very high96.2Very high24 Ų2453.9 Ų53.925%0.24731%0.305CS..EExtended strand (participates in β ladder)trans-88.1123.3171.300000110.6
306I98.4Very high96.2Very high1 Ų156.9 Ų56.91%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-112.8117.3174.4-46.1-172.3000107.4V195 F196 L224 A238 L256 L258 L304 V308V195-I306 WeakPolarHBondContact CA-O 3.41Å; F196-I306 HydrophobicContact CB-CB 4.36Å; F196-I306 HydrophobicContact CD1-CD1 4.24Å; F196-I306 PolarHBondContact N-O 3.05Å; F196-I306 PolarHBondContact O-N 3.25Å; L224-I306 HydrophobicContact CD1-CD1 4.29Å; L224-I306 HydrophobicContact CD2-CD1 4.35Å; A238-I306 HydrophobicContact CB-CD1 4.43Å; L256-I306 HydrophobicContact CB-CG2 4.13Å; L256-I306 HydrophobicContact CD2-CG2 4.1Å; L258-I306 HydrophobicContact CD2-CB 4.21Å; L258-I306 HydrophobicContact CD2-CD1 4.24Å; L258-I306 HydrophobicContact CD2-CG1 3.65Å; L258-I306 HydrophobicContact CD2-CG2 4.16Å; L304-I306 HydrophobicContact CD2-CD1 4.34Å; L304-I306 HydrophobicContact CD2-CG1 4.37Å; L304-I306 HydrophobicContact CG-CG1 4.28Å; I306-V308 HydrophobicContact CG2-CG2 4.36Å
307N98.4Very high96.3Very high52 Ų5254.4 Ų54.428%0.27831%0.313SS..EExtended strand (participates in β ladder)trans-74.9130.5170.7-68.4-8.4000108.2L256 E257 N259L256-N307 WeakPolarHBondContact CA-O 3.4Å; E257-N307 HydrophobicContact CB-CB 4.17Å; E257-N307 PolarHBondContact N-O 3.07Å; E257-N307 PolarHBondContact O-N 3.34Å; N259-N307 PolarHBondContact ND2-ND2 3.36Å
308V98.6Very high96.3Very high0 Ų052.1 Ų52.10%030%0.303CS..EExtended strand (participates in β ladder)trans-125.4111.6-176-172.10000108.1D193 I194 F196 L222 R255 L256 I306D193-V308 WeakPolarHBondContact CA-O 3.47Å; I194-V308 HydrophobicContact CG1-CB 3.98Å; I194-V308 PolarHBondContact N-O 3.21Å; I194-V308 PolarHBondContact O-N 3.07Å; F196-V308 HydrophobicContact CB-CG2 3.84Å; L222-V308 HydrophobicContact CD1-CG1 4.25Å; L222-V308 HydrophobicContact CD1-CG2 4.22Å; L222-V308 HydrophobicContact CD2-CB 4.22Å; L222-V308 HydrophobicContact CD2-CG1 3.44Å; L222-V308 VanDerWaalsContact CD2-CG1 3.44Å; L222-V308 HydrophobicContact CD2-CG2 3.8Å; L222-V308 HydrophobicContact CG-CG1 4.41Å; R255-V308 WeakPolarHBondContact O-CA 3.49Å; L256-V308 HydrophobicContact CD2-CB 4.35Å; L256-V308 HydrophobicContact CD2-CG1 4Å; L256-V308 HydrophobicContact CD2-CG2 3.85Å; I306-V308 HydrophobicContact CG2-CG2 4.36Å
309T98.6Very high96.3Very high25 Ų2554.1 Ų54.115%0.15332%0.316CS..EExtended strand (participates in β ladder)trans-111.4131.9174.2-44.20000109.3E192 D193 Y254 R255E192-T309 CarbonylContact O-C 3.53Å; E192-T309 VanDerWaalsContact O-CA 3.29Å; E192-T309 WeakPolarHBondContact O-CA 3.41Å; D193-T309 HydrophobicContact CB-CG2 4.43Å; D193-T309 PolarHBondContact OD1-OG1 3.26Å; Y254-T309 CarbonylContact C-O 3.53Å; Y254-T309 VanDerWaalsContact CA-O 3.28Å; Y254-T309 WeakPolarHBondContact CA-O 3.44Å; R255-T309 PolarHBondContact N-O 3.39Å; R255-T309 PolarHBondContact O-N 3.26Å
310I98.6Very high96.3Very high2 Ų256.4 Ų56.41%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-114.2134172.1-59.9-176.6000108.3E192 Q213 F216 F220 F252 A253E192-I310 PolarHBondContact O-N 3.01Å; Q213-I310 HydrophobicContact CG-CD1 4.21Å; F216-I310 HydrophobicContact CD2-CG2 4.25Å; F216-I310 HydrophobicContact CE2-CB 4.5Å; F216-I310 HydrophobicContact CE2-CG2 4.08Å; F216-I310 WeakPolarHBondContact CE2-O 3.47Å; F220-I310 HydrophobicContact CB-CD1 3.6Å; F220-I310 HydrophobicContact CD1-CD1 3.76Å; F220-I310 HydrophobicContact CD2-CD1 3.41Å; F220-I310 VanDerWaalsContact CD2-CD1 3.41Å; F220-I310 HydrophobicContact CE1-CD1 4.23Å; F220-I310 HydrophobicContact CE1-CG2 4.14Å; F220-I310 HydrophobicContact CE2-CD1 3.94Å; F220-I310 HydrophobicContact CE2-CG2 4.03Å; F220-I310 HydrophobicContact CG-CD1 3.3Å; F220-I310 HydrophobicContact CZ-CD1 4.32Å; F220-I310 HydrophobicContact CZ-CG2 3.8Å; F252-I310 HydrophobicContact CD1-CG2 4.23Å; A253-I310 WeakPolarHBondContact O-CA 3.17Å
311S98.1Very high96.5Very high57 Ų5748.9 Ų48.940%0.39930%0.296SS..EExtended strand (participates in β ladder)trans-136150.4178.954.80000110.9F252 A253F252-S311 CarbonylContact C-O 3.58Å; F252-S311 VanDerWaalsContact CA-O 3.31Å; F252-S311 WeakPolarHBondContact CA-O 3.33Å; A253-S311 PolarHBondContact N-O 2.98Å; A253-S311 PolarHBondContact O-N 3.28Å
312M96.9Very high96.8Very high126 Ų12639.9 Ų39.962%0.62125%0.251SS*.EExtended strand (participates in β ladder)trans-75.6144.7167.7-63.7-179.7-65.700110F216 N251 F252F216-M312 HydrophobicContact CD1-CE 3.93Å; F216-M312 HydrophobicContact CD1-CG 4.07Å; F216-M312 HydrophobicContact CD1-SD 3.89Å; F216-M312 HydrophobicContact CE1-CE 3.85Å; F216-M312 HydrophobicContact CE1-CG 4.22Å; F216-M312 HydrophobicContact CE1-SD 4.31Å; F216-M312 HydrophobicContact CG-CG 4.24Å; F216-M312 HydrophobicContact CG-SD 4.4Å; N251-M312 VanDerWaalsContact O-CA 3.31Å; N251-M312 WeakPolarHBondContact O-CA 3.47Å; F252-M312 HydrophobicContact CD1-CG 4.01Å; F252-M312 HydrophobicContact CE1-CG 3.65Å
313C91.9Very high97.3Very high127 Ų12741.9 Ų41.986%0.85826%0.257SS*.  trans-1320177.759.60000112.7N251 F252N251-C313 VanDerWaalsContact C-SG 3.5Å; N251-C313 PolarHBondContact O-N 3.25Å; F252-C313 VanDerWaalsContact C-SG 3.57Å

Retrieved 313 of 313 residues in 53.4 ms (Link to these results)