A0A087X7X5_POEFO 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 A0A087X7X5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 327 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.1Very low38.2Very low247 Ų247126.5 Ų126.5100%1.21788%0.875SS**  093.50-69.8176.717900106.4
2S33.3Very low37.9Very low119 Ų119131.9 Ų131.983%0.83289%0.886SS**  trans-123141.1-165.7-52.20000108.1
3R44.6Very low37.6Very low240 Ų240127.9 Ų127.991%0.90688%0.881SS**  trans-57.5164.1173.5-58.2177.8165-170.1-4.1111.5
4P50.8Low37.5Very low117 Ų117126.9 Ų126.976%0.7689%0.885SS**  -149146.982.927.6-3.4000114.6
5S37.7Very low37.2Very low114 Ų114123.9 Ų123.980%0.79788%0.883SS**  75.112389-50.70000117.4
6S39.1Very low36.8Very low116 Ų116129.3 Ų129.381%0.81189%0.885SS**  trans-174.4110143.7480000108.3
7A37.9Very low36.4Very low107 Ų107127.8 Ų127.888%0.88488%0.883SS**  68.1133.187.500000112.5
8G32.8Very low36Very low80 Ų80125.2 Ų125.283%0.82588%0.88SS**  cis171.6176.7600000110.2
9G32.9Very low35.6Very low84 Ų84123.2 Ų123.287%0.86688%0.881SS**  trans96.2121.8166.600000114.8
10G33Very low35.4Very low88 Ų88121 Ų12191%0.90788%0.878SS**  cis100.3103.920.800000110.3
11G31.7Very low35.2Very low80 Ų80125 Ų12583%0.82588%0.879SS**  trans162.7125.2170.600000115.5
12L34.9Very low34.6Very low191 Ų191122.7 Ų122.7100%187%0.865SS**  trans-79.7158.7-170.6-65.5124.3000114.3
13G33.9Very low34.3Very low80 Ų80121 Ų12183%0.82587%0.865SS**  trans-170.9103.1162.800000113.2
14A35.6Very low33.5Very low114 Ų114113.3 Ų113.394%0.94286%0.861SS**  trans-78.5145.816900000110.8
15G33.2Very low32.5Very low82 Ų82113.5 Ų113.585%0.84587%0.865SS**  trans177.8117.3173.200000115.3
16K30.8Very low32.2Very low210 Ų210111.8 Ų111.891%0.91387%0.866SS**  trans-58.3157.3-176.5-89.6170.9166.6177.70117.5
17A30.3Very low31.6Very low104 Ų104109.7 Ų109.786%0.8686%0.862SS**  trans82.8131.4134.600000121
18G28.5Very low31.4Very low80 Ų80111.5 Ų111.583%0.82586%0.863SS**  trans129.4102.2133.100000117
19G29.1Very low31.2Very low88 Ų88112.2 Ų112.291%0.90786%0.86SS**  trans75.4114.413300000119.4
20G30.8Very low31.1Very low79 Ų79113.2 Ų113.281%0.81485%0.854SS**  trans172.676.7163.200000113.3H22G20-H22 PolarHBondContact O-N 3.21Å
21K31.9Very low31Very low206 Ų206114.4 Ų114.490%0.89686%0.855SS**  trans-65.6113.6170.8-82.5177.9168.3-179.20110.3
22H32.7Very low30.7Very low198 Ų198114.4 Ų114.492%0.91785%0.847SS**  trans-137.5139.4153.9-79.915.2000104.3G20G20-H22 PolarHBondContact O-N 3.21Å
23G27.6Very low30.3Very low82 Ų82110.2 Ų110.285%0.84584%0.841SS**  cis172152.96.700000104.5
24G27.8Very low30.1Very low79 Ų79111.5 Ų111.581%0.81484%0.843SS**  trans109.762.5170.900000115.4G26G24-G26 PolarHBondContact O-N 3.12Å
25S30.3Very low29.9Very low121 Ų121110.8 Ų110.885%0.84684%0.837SS**  trans-73.1108151.950.90000108.1G27S25-G27 PolarHBondContact O-N 2.92Å; S25-G27 VanDerWaalsContact O-N 3.09Å
26G31.6Very low29.6Very low79 Ų79111.6 Ų111.681%0.81484%0.836SS**  trans-61.8104.8163.800000109G24G24-G26 PolarHBondContact O-N 3.12Å
27G25.9Very low29.4Very low71 Ų71104.7 Ų104.773%0.73282%0.818SS**  trans-94.5101.8172.800000109.5S25 A29S25-G27 PolarHBondContact O-N 2.92Å; S25-G27 VanDerWaalsContact O-N 3.09Å; G27-A29 PolarHBondContact O-N 3Å
28T33.7Very low29.3Very low146 Ų146103.8 Ų103.890%0.89681%0.811SS**  trans-61.6120.115647.70000108.9
29A29.6Very low29.2Very low94 Ų94104.9 Ų104.978%0.77781%0.812SS**  trans-141.4100.7164.700000106.6G27G27-A29 PolarHBondContact O-N 3Å
30S29.9Very low29.1Very low106 Ų106105.7 Ų105.774%0.74181%0.81SS**  86.582.889.8179.50000110.5A32S30-A32 PolarHBondContact O-N 2.94Å
31A31.1Very low28.8Very low112 Ų112106.8 Ų106.893%0.92681%0.811SS**  trans-71.7109.8157.700000107.9
32A26.1Very low28.6Very low80 Ų80102 Ų10266%0.66181%0.81SS**  trans-148.3117.4168.800000110.2S30S30-A32 PolarHBondContact O-N 2.94Å
33A27.1Very low28.4Very low104 Ų10499.7 Ų99.786%0.8681%0.81SS**  trans54.2119.2144.200000120.2
34A28.2Very low28.4Very low106 Ų106100.2 Ų100.288%0.87681%0.806SS**  trans-146.594135.700000109.1
35A31.1Very low28.5Very low99 Ų99101.5 Ų101.582%0.81881%0.809SS**  trans-111.2106.9159.700000106.3
36A26.7Very low28.4Very low99 Ų99102 Ų10282%0.81881%0.808SS**  trans-173.8119.8159.900000110.1
37A27.1Very low28.2Very low65 Ų65103.3 Ų103.354%0.53781%0.81SS.*  165.1105.2116.300000110
38A29Very low28.3Very low85 Ų85103.7 Ų103.770%0.70281%0.814SS**  trans-149.7109.5150.800000107.5
39A25.3Very low28.1Very low103 Ų103103.6 Ų103.685%0.85181%0.813SS**  trans-122.9152.6172.800000110
40A27.1Very low28Very low106 Ų106102.9 Ų102.988%0.87682%0.815SS**  trans87.8137.6176.600000115.4
41A26Very low27.9Very low101 Ų101102.7 Ų102.784%0.83581%0.813SS**  cis-166.6139.4-19.500000105.7
42A27.3Very low27.8Very low106 Ų106103.9 Ų103.988%0.87681%0.809SS**  trans-143.2128.9170.400000111.6
43V29.2Very low28.5Very low150 Ų150106.1 Ų106.191%0.90982%0.817SS**  trans-79.6145.3-176176.60000110.5
44A27.2Very low28.5Very low92 Ų92104.9 Ų104.976%0.7681%0.814SS**  trans-73.7150.1-174.100000114.8
45A29.5Very low28.6Very low106 Ų106106 Ų10688%0.87682%0.816SS**  trans-149.8149.5148.300000110.6
46T28.4Very low28.5Very low133 Ų133105.2 Ų105.282%0.81682%0.817SS**  trans-101.7149.4-148.346.10000116.5
47A27.7Very low28.6Very low105 Ų105106.2 Ų106.287%0.86882%0.818SS**  trans57.1130.2136.300000122.6
48G28.2Very low28.6Very low80 Ų80107.6 Ų107.683%0.82583%0.829SS**  trans-176.799.4158.500000112.2
49V28.6Very low28.6Very low144 Ų144108.2 Ų108.287%0.87384%0.835SS**  trans-88.9142.4-178.6-162.60000109.8
50G28Very low28.9Very low78 Ų78108 Ų10880%0.80483%0.833SS**  trans-167.3118.1169.700000112.4
51S27.8Very low29Very low102 Ų102108.3 Ų108.371%0.71383%0.829SS**  trans-103.2138.1-169.3-54.60000112.6
52V29Very low29.2Very low138 Ų138108.9 Ų108.984%0.83683%0.827SS**  trans38.3170.2145.5-102.90000122
53P39.9Very low29.5Very low126 Ų126109 Ų10982%0.81883%0.827SS**  cis-134.6178.9-1829.9-7.9000114
54G28.2Very low29.4Very low79 Ų79105.1 Ų105.181%0.81482%0.818SS**  trans-175.3108.5166.700000114.9
55S29.4Very low29.8Very low129 Ų129106.5 Ų106.590%0.90282%0.822SS**  trans-68.7150.6178.651.30000115.2
56G28.9Very low29.9Very low83 Ų83109.1 Ų109.186%0.85682%0.821SS**  trans-171.2125.5163.500000112.3
57S28.1Very low30.4Very low120 Ų120108.5 Ų108.584%0.83982%0.819SS**  trans-89.6152.3-165.2-165.30000114.3
58A27.9Very low31Very low93 Ų93112.2 Ų112.277%0.76982%0.818SS**  trans44.9121.7145.200000121.7
59A28.5Very low31.7Very low98 Ų98111.9 Ų111.981%0.8181%0.807SS**  -162.6118.2123.200000110.6
60A32.3Very low32.3Very low100 Ų100109.6 Ų109.683%0.82680%0.804SS**  trans-75137.216300000109.2
61S29.5Very low33.1Very low112 Ų112109.6 Ų109.678%0.78380%0.796SS**  trans-156.1112.2162-76.70000111.1
62S30.4Very low34.2Very low112 Ų112109.2 Ų109.278%0.78379%0.785SS**  trans48108.8146.458.20000119.5G64S62-G64 PolarHBondContact O-N 2.95Å
63A32.6Very low34.9Very low108 Ų108109 Ų10989%0.89379%0.787SS**  trans-5699.9152.200000109.9
64G28.3Very low35.7Very low70 Ų70106.7 Ų106.772%0.72279%0.786SS**PPolyproline II helixtrans-78.6116165.300000109.2S62 L66S62-G64 PolarHBondContact O-N 2.95Å; G64-L66 PolarHBondContact O-N 3.36Å
65S35.6Very low37.2Very low120 Ų120105.4 Ų105.484%0.83976%0.759SS**PPolyproline II helixtrans-54.8130.1169.6-51.90000110.2
66L31.2Very low39.1Very low162 Ų162101.3 Ų101.385%0.84873%0.73SS**PPolyproline II helixtrans-57.4140.5172.5-70.4161.8000109.9G64 H68G64-L66 PolarHBondContact O-N 3.36Å; L66-H68 PolarHBondContact O-N 2.82Å
67P37.9Very low41.3Very low119 Ų119101.1 Ų101.177%0.77371%0.714SS**PPolyproline II helixtrans-67.2126.7175.828-30.5000108.8A69P67-A69 PolarHBondContact O-N 3.26Å
68H40.1Very low43.8Very low184 Ų184103.2 Ų103.285%0.85271%0.71SS**PPolyproline II helixtrans-49.8128.7167.4-149.573.8000108.3L66 A70L66-H68 PolarHBondContact O-N 2.82Å; H68-A70 PolarHBondContact O-N 2.88Å; H68-A70 VanDerWaalsContact O-N 3.14Å
69A44.2Very low46.6Very low73 Ų73102.6 Ų102.660%0.60369%0.694SS**PPolyproline II helixtrans-48123.9176.500000109.2P67 A71P67-A69 PolarHBondContact O-N 3.26Å; A69-A71 PolarHBondContact O-N 3.3Å
70A40.8Very low49.4Very low96 Ų9698.4 Ų98.479%0.79366%0.658SS**  trans-55.5112.3179.400000108.8H68 L72H68-A70 PolarHBondContact O-N 2.88Å; H68-A70 VanDerWaalsContact O-N 3.14Å; A70-L72 PolarHBondContact O-N 3.49Å; A70-L72 VanDerWaalsContact O-N 3.15Å
71A45.5Very low52Low77 Ų7796.1 Ų96.164%0.63664%0.639SS**PPolyproline II helixtrans-58.8118.2178.100000108.9A69A69-A71 PolarHBondContact O-N 3.3Å
72L49.1Very low55Low95 Ų9596.1 Ų96.150%0.49763%0.63SS.*PPolyproline II helixtrans-63.5141.8171.3-72.2158.5000109A70 G74 Q75 V153A70-L72 PolarHBondContact O-N 3.49Å; A70-L72 VanDerWaalsContact O-N 3.15Å; L72-G74 PolarHBondContact O-N 3.48Å; L72-G74 VanDerWaalsContact O-N 3.17Å; L72-Q75 PolarHBondContact O-N 3.15Å; L72-V153 HydrophobicContact CD1-CG2 3.92Å
73P44.7Very low58Low133 Ų13390.9 Ų90.986%0.86459%0.593SS**THydrogen-bonded Turntrans-61120.3-179.222.8-30.9000110.4
74G56.8Low61Low78 Ų7890 Ų9080%0.80457%0.57SS**THydrogen-bonded Turntrans115.5-4.3179.200000115.7L72L72-G74 PolarHBondContact O-N 3.48Å; L72-G74 VanDerWaalsContact O-N 3.17Å
75Q58.7Low64.1Low51 Ų5186.7 Ų86.724%0.23854%0.536CS..  trans-84.9126.8170.3-81.4172.568.300111.1L72 P77 V153L72-Q75 PolarHBondContact O-N 3.15Å; Q75-P77 WeakPolarHBondContact O-CD 3.49Å; Q75-V153 HydrophobicContact CG-CG1 4.45Å
76S70.5Confident66.9Low44 Ų4483.5 Ų83.531%0.30851%0.512SS..  trans-9488.5159.153.70000107.7E78 L79 T80S76-E78 PolarHBondContact O-N 3.35Å; S76-E78 VanDerWaalsContact O-N 3.12Å; S76-L79 PolarHBondContact O-N 3.3Å; S76-L79 VanDerWaalsContact OG-CB 3.31Å; S76-L79 WeakPolarHBondContact OG-CB 3.33Å; S76-L79 VanDerWaalsContact OG-CD1 3.24Å; S76-L79 WeakPolarHBondContact OG-CD1 3.36Å; S76-L79 VanDerWaalsContact OG-CG 3.29Å; S76-L79 WeakPolarHBondContact OG-CG 3.26Å; S76-T80 PolarHBondContact O-N 3.37Å
77P74.4Confident70Confident78 Ų7878.6 Ų78.651%0.50649%0.489SS..Hα-helixtrans-55.6-32.5-176.222.2-34000112.1Q75 L79 T80 A81Q75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-L79 VanDerWaalsContact C-N 3.35Å; P77-L79 PolarHBondContact O-N 3.3Å; P77-T80 WeakPolarHBondContact CA-OG1 3.34Å; P77-T80 PolarHBondContact O-N 3.4Å; P77-T80 PolarHBondContact O-OG1 2.86Å; P77-A81 PolarHBondContact O-N 3.02Å
78E80.8Confident72.6Confident164 Ų16475.2 Ų75.277%0.76647%0.468SS*.Hα-helixtrans-59.9-39173.9-63.6-177.2161.300113S76S76-E78 PolarHBondContact O-N 3.35Å; S76-E78 VanDerWaalsContact O-N 3.12Å
79L85.8Confident75Confident81 Ų8173.4 Ų73.442%0.42446%0.458SS..Hα-helixtrans-74.7-37178.4-62-173.6000112S76 P77 A81 L82 F83 L139S76-L79 PolarHBondContact O-N 3.3Å; S76-L79 VanDerWaalsContact OG-CB 3.31Å; S76-L79 WeakPolarHBondContact OG-CB 3.33Å; S76-L79 VanDerWaalsContact OG-CD1 3.24Å; S76-L79 WeakPolarHBondContact OG-CD1 3.36Å; S76-L79 VanDerWaalsContact OG-CG 3.29Å; S76-L79 WeakPolarHBondContact OG-CG 3.26Å; P77-L79 VanDerWaalsContact C-N 3.35Å; P77-L79 PolarHBondContact O-N 3.3Å; L79-A81 VanDerWaalsContact C-N 3.3Å; L79-A81 PolarHBondContact O-N 3.03Å; L79-L82 HydrophobicContact CD2-CD1 4.1Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 3.02Å; L79-F83 WeakPolarHBondContact O-CD2 3.22Å; L79-L139 HydrophobicContact CB-CD1 4.23Å; L79-L139 HydrophobicContact CD1-CD2 4.49Å
80T87.9Confident77.3Confident9 Ų973.3 Ų73.36%0.05545%0.447CS..Hα-helixtrans-67.7-32.1176.445.30000112.2S76 P77 L82 F83 Y91 P140 F141S76-T80 PolarHBondContact O-N 3.37Å; P77-T80 WeakPolarHBondContact CA-OG1 3.34Å; P77-T80 PolarHBondContact O-N 3.4Å; P77-T80 PolarHBondContact O-OG1 2.86Å; T80-L82 PolarHBondContact O-N 3.41Å; T80-F83 PolarHBondContact O-N 3.08Å; T80-F83 VanDerWaalsContact O-N 3.07Å; T80-Y91 WeakPolarHBondContact O-CE1 3.48Å; T80-P140 WeakPolarHBondContact CG2-O 3.46Å; T80-F141 HydrophobicContact CG2-CD1 4.02Å; T80-F141 HydrophobicContact CG2-CE1 4.2Å
81A88.2Confident79.8Confident52 Ų5271.6 Ų71.643%0.4342%0.42SS..Hα-helixtrans-63.2-27.9175.900000112.9P77 L79 F83 E84P77-A81 PolarHBondContact O-N 3.02Å; L79-A81 VanDerWaalsContact C-N 3.3Å; L79-A81 PolarHBondContact O-N 3.03Å; A81-F83 PolarHBondContact O-N 3.27Å; A81-F83 VanDerWaalsContact O-N 3.15Å; A81-E84 WeakPolarHBondContact O-CB 3.2Å; A81-E84 PolarHBondContact O-N 3.45Å; A81-E84 VanDerWaalsContact O-N 3.09Å
82L91.1Very high82.2Confident112 Ų11267.9 Ų67.959%0.58639%0.39SS*.THydrogen-bonded Turntrans-64.2-17.8174.7-60.4175.1000113.3L79 T80L79-L82 HydrophobicContact CD2-CD1 4.1Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 3.02Å; T80-L82 PolarHBondContact O-N 3.41Å
83F94.6Very high84.2Confident2 Ų265.4 Ų65.41%0.00938%0.377CS..THydrogen-bonded Turntrans-9610177.4-68-95000112.3L79 T80 A81 Y91 V92 I96 M132 V135 A136 L139 F141L79-F83 WeakPolarHBondContact O-CD2 3.22Å; T80-F83 PolarHBondContact O-N 3.08Å; T80-F83 VanDerWaalsContact O-N 3.07Å; A81-F83 PolarHBondContact O-N 3.27Å; A81-F83 VanDerWaalsContact O-N 3.15Å; F83-Y91 HydrophobicContact CB-CD1 4.31Å; F83-Y91 CarbonylContact O-C 3.59Å; F83-Y91 WeakPolarHBondContact O-CA 3.43Å; F83-V92 WeakPolarHBondContact O-CB 3.16Å; F83-V92 WeakPolarHBondContact O-CG2 3.35Å; F83-V92 PolarHBondContact O-N 2.86Å; F83-I96 HydrophobicContact CD1-CD1 3.77Å; F83-I96 HydrophobicContact CE1-CD1 3.56Å; F83-M132 HydrophobicContact CD1-CE 4.27Å; F83-M132 HydrophobicContact CD2-CE 4.46Å; F83-M132 HydrophobicContact CE1-CB 4.26Å; F83-M132 HydrophobicContact CE1-CE 3.54Å; F83-M132 WeakPolarHBondContact CE1-O 3.27Å; F83-M132 HydrophobicContact CE2-CE 3.77Å; F83-M132 HydrophobicContact CZ-CE 3.26Å; F83-M132 HydrophobicContact CZ-SD 4.42Å; F83-V135 HydrophobicContact CE2-CG1 4.16Å; F83-V135 HydrophobicContact CZ-CB 4.09Å; F83-V135 HydrophobicContact CZ-CG1 3.8Å; F83-A136 HydrophobicContact CD1-CB 4.27Å; F83-A136 HydrophobicContact CE1-CB 3.65Å; F83-A136 HydrophobicContact CZ-CB 4.11Å; F83-L139 HydrophobicContact CD2-CD1 4.4Å; F83-L139 HydrophobicContact CE2-CD1 3.69Å; F83-L139 HydrophobicContact CZ-CD1 4.34Å; F83-F141 HydrophobicContact CB-CE1 3.82Å; F83-F141 HydrophobicContact CB-CZ 4.42Å; F83-F141 HydrophobicContact CD1-CZ 4.3Å; F83-F141 HydrophobicContact CD2-CE1 4.03Å; F83-F141 HydrophobicContact CD2-CZ 4.21Å; F83-F141 AromaticContact CG-CE1 3.87Å; F83-F141 HydrophobicContact CG-CE1 3.87Å; F83-F141 HydrophobicContact CG-CZ 4.05Å
84E93.9Very high86.5Confident91 Ų9161 Ų6143%0.42535%0.348SS..BIsolated β-bridgetrans-75.9132.7179.1-164.6177.6161.500111.8A81 F89A81-E84 WeakPolarHBondContact O-CB 3.2Å; A81-E84 PolarHBondContact O-N 3.45Å; A81-E84 VanDerWaalsContact O-N 3.09Å; E84-F89 WeakPolarHBondContact OE1-CD1 3.42Å
85C94.9Very high88.3Confident0 Ų059.8 Ų59.80%033%0.326CS..  trans-78.4123.8175.5-1770000109.6V87 F89 D90 V92 C106C85-V87 PolarHBondContact O-N 3.25Å; C85-F89 VanDerWaalsContact O-CA 3.26Å; C85-F89 WeakPolarHBondContact O-CA 2.93Å; C85-F89 PolarHBondContact O-N 3.25Å; C85-D90 WeakPolarHBondContact CB-O 3.4Å; C85-D90 PolarHBondContact N-O 2.9Å; C85-V92 HydrophobicContact CB-CG2 3.7Å; C85-C106 HydrophobicContact CB-CB 4.21Å; C85-C106 PolarHBondContact SG-SG 2.89Å
86P94.3Very high89.9Confident52 Ų5257.4 Ų57.434%0.33832%0.315SS..THydrogen-bonded Turntrans-70.24.2-17729.8-37.7000114.6L104 P117P86-L104 WeakPolarHBondContact CD-O 3.21Å; P86-P117 HydrophobicContact CB-CG 4.37Å; P86-P117 HydrophobicContact CG-CB 4.45Å; P86-P117 HydrophobicContact CG-CG 3.58Å
87V94.8Very high91.1Very high60 Ų6055.8 Ų55.836%0.36430%0.303SS..THydrogen-bonded Turntrans-112.6-50.9-174.3-176.70000111.2C85 C109 L113 P117C85-V87 PolarHBondContact O-N 3.25Å; V87-C109 HydrophobicContact CB-CB 4.01Å; V87-C109 HydrophobicContact CG1-CB 4.09Å; V87-C109 VanDerWaalsContact CG1-SG 3.58Å; V87-C109 HydrophobicContact CG2-CB 4.23Å; V87-L113 HydrophobicContact CG2-CD1 3.8Å; V87-P117 HydrophobicContact CG2-CB 4.21Å; V87-P117 HydrophobicContact CG2-CG 3.84Å
88C93.6Very high92.1Very high48 Ų4854 Ų5432%0.32429%0.288SS..THydrogen-bonded Turntrans-106.1-7.2-17964.70000113.2D90 C106C88-D90 PolarHBondContact O-N 3.18Å; C88-D90 VanDerWaalsContact O-N 3.09Å; C88-C106 VanDerWaalsContact SG-SG 3.65Å
89F91.4Very high92.8Very high145 Ų14546.4 Ų46.464%0.63625%0.253SS*.  trans60.312.5-176.5-50.5-78.4000114.2E84 C85E84-F89 WeakPolarHBondContact OE1-CD1 3.42Å; C85-F89 VanDerWaalsContact O-CA 3.26Å; C85-F89 WeakPolarHBondContact O-CA 2.93Å; C85-F89 PolarHBondContact O-N 3.25Å
90D92.1Very high93.3Very high71 Ų7149.1 Ų49.138%0.3826%0.263SS..SBendtrans-86.1161.8167.6-70.1-49000111.1C85 C88C85-D90 WeakPolarHBondContact CB-O 3.4Å; C85-D90 PolarHBondContact N-O 2.9Å; C88-D90 PolarHBondContact O-N 3.18Å; C88-D90 VanDerWaalsContact O-N 3.09Å
91Y93.3Very high93.6Very high60 Ų6052 Ų5224%0.23529%0.288CS..BIsolated β-bridgetrans-67.3133.1173.7-61-70.1000112.6T80 F83 L93 F141 P142T80-Y91 WeakPolarHBondContact O-CE1 3.48Å; F83-Y91 HydrophobicContact CB-CD1 4.31Å; F83-Y91 CarbonylContact O-C 3.59Å; F83-Y91 WeakPolarHBondContact O-CA 3.43Å; Y91-L93 PolarHBondContact O-N 3.2Å; Y91-L93 VanDerWaalsContact O-N 3.12Å; Y91-F141 AromaticContact CD1-CD1 3.74Å; Y91-F141 HydrophobicContact CD1-CD1 3.74Å; Y91-F141 HydrophobicContact CD1-CE1 4.19Å; Y91-F141 HydrophobicContact CD2-CB 4.27Å; Y91-F141 HydrophobicContact CD2-CD1 4.25Å; Y91-F141 HydrophobicContact CE1-CD1 4.2Å; Y91-F141 AromaticContact CG-CD1 3.77Å; Y91-F141 HydrophobicContact CG-CD1 3.77Å; Y91-F141 HydrophobicContact CG-CE1 4.44Å; Y91-F141 HydrophobicContact CG-CG 4.5Å; Y91-P142 HydrophobicContact CE2-CG 3.77Å; Y91-P142 WeakPolarHBondContact OH-CG 3.34Å
92V94.5Very high93.9Very high0 Ų051.1 Ų51.10%028%0.284CS..  trans-75.491.5170.3-174.40000108.2F83 C85 I96 L104 C106F83-V92 WeakPolarHBondContact O-CB 3.16Å; F83-V92 WeakPolarHBondContact O-CG2 3.35Å; F83-V92 PolarHBondContact O-N 2.86Å; C85-V92 HydrophobicContact CB-CG2 3.7Å; V92-I96 HydrophobicContact CG1-CB 4.19Å; V92-I96 HydrophobicContact CG1-CG1 4.12Å; V92-I96 HydrophobicContact CG1-CG2 3.76Å; V92-I96 WeakPolarHBondContact O-CD1 3.33Å; V92-I96 WeakPolarHBondContact O-CG1 3.35Å; V92-L104 HydrophobicContact CG1-CB 4.36Å; V92-L104 HydrophobicContact CG2-CB 4.29Å; V92-C106 HydrophobicContact CG1-CB 4.47Å; V92-C106 HydrophobicContact CG2-CB 4.18Å
93L92.9Very high94.1Very high42 Ų4248.8 Ų48.822%0.2227%0.27CS..PPolyproline II helixtrans-92.9160.3176.5-57179.2000111.3Y91 P95 F141 H156 K159Y91-L93 PolarHBondContact O-N 3.2Å; Y91-L93 VanDerWaalsContact O-N 3.12Å; L93-P95 CarbonylContact O-C 3.47Å; L93-F141 HydrophobicContact CD2-CD1 4.36Å; L93-F141 HydrophobicContact CD2-CD2 3.8Å; L93-F141 HydrophobicContact CD2-CE1 4.37Å; L93-F141 HydrophobicContact CD2-CE2 3.81Å; L93-F141 HydrophobicContact CD2-CG 4.08Å; L93-F141 HydrophobicContact CD2-CZ 4.1Å; L93-H156 HydrophobicContact CB-CB 4.33Å; L93-H156 HydrophobicContact CD1-CB 4.31Å; L93-H156 HydrophobicContact CD2-CB 3.91Å; L93-H156 HydrophobicContact CG-CB 4.4Å; L93-K159 HydrophobicContact CD1-CB 4.49Å; L93-K159 HydrophobicContact CD1-CD 3.78Å; L93-K159 HydrophobicContact CD1-CG 4.33Å
94P92.8Very high94.1Very high40 Ų4049.8 Ų49.826%0.2628%0.275SS..SBendtrans-50.9134.8176.1-27.735.7000113.1I96 E133 A136P94-I96 HydrophobicContact CG-CG1 4.4Å; P94-E133 HydrophobicContact CB-CG 4.01Å; P94-E133 HydrophobicContact CG-CB 4.2Å; P94-E133 HydrophobicContact CG-CG 4.03Å; P94-A136 HydrophobicContact CG-CB 4.39Å
95P92.9Very high94.2Very high54 Ų5445.4 Ų45.435%0.35126%0.255SS..SBendcis-72.6125.9-230.1-34.1000112.7L93 N107 E133L93-P95 CarbonylContact O-C 3.47Å; P95-N107 HydrophobicContact CG-CB 4.4Å; P95-E133 VanDerWaalsContact CA-OE1 3.26Å; P95-E133 WeakPolarHBondContact CA-OE1 3.27Å
96I93.7Very high94.2Very high0 Ų045.9 Ų45.90%026%0.258CS..PPolyproline II helixtrans-89.6123.6-177.9-62.3-174.4000108.4F83 V92 P94 L104 R128 N129 M132 E133 A136F83-I96 HydrophobicContact CD1-CD1 3.77Å; F83-I96 HydrophobicContact CE1-CD1 3.56Å; V92-I96 HydrophobicContact CG1-CB 4.19Å; V92-I96 HydrophobicContact CG1-CG1 4.12Å; V92-I96 HydrophobicContact CG1-CG2 3.76Å; V92-I96 WeakPolarHBondContact O-CD1 3.33Å; V92-I96 WeakPolarHBondContact O-CG1 3.35Å; P94-I96 HydrophobicContact CG-CG1 4.4Å; I96-L104 HydrophobicContact CG2-CD1 4.11Å; I96-L104 HydrophobicContact CG2-CD2 3.82Å; I96-L104 HydrophobicContact CG2-CG 4.43Å; I96-R128 CarbonylContact O-C 3.5Å; I96-R128 WeakPolarHBondContact O-CA 3.34Å; I96-N129 HydrophobicContact CG2-CB 4.15Å; I96-N129 PolarHBondContact O-N 2.88Å; I96-M132 HydrophobicContact CD1-CB 4.11Å; I96-M132 HydrophobicContact CG2-CB 4.03Å; I96-E133 HydrophobicContact CB-CG 3.86Å; I96-E133 HydrophobicContact CD1-CG 4.16Å; I96-E133 HydrophobicContact CG1-CG 3.82Å; I96-E133 PolarHBondContact N-OE1 3.48Å; I96-A136 HydrophobicContact CD1-CB 3.88Å
97L95.1Very high94Very high10 Ų1046.5 Ų46.55%0.05226%0.259CS..EExtended strand (participates in β ladder)trans-109.9145.8-176.8-52.8179000110.4L104 V105 N107 R110 I127 R128L97-L104 CarbonylContact O-C 3.58Å; L97-L104 VanDerWaalsContact O-CA 3.31Å; L97-L104 WeakPolarHBondContact O-CA 3.39Å; L97-V105 PolarHBondContact O-N 2.75Å; L97-N107 HydrophobicContact CD1-CB 4.31Å; L97-R110 HydrophobicContact CD1-CB 3.72Å; L97-R110 HydrophobicContact CD1-CG 3.59Å; L97-I127 WeakPolarHBondContact CA-O 3.43Å; L97-R128 HydrophobicContact CD2-CB 4.21Å; L97-R128 HydrophobicContact CD2-CG 4.36Å
98Q95.5Very high93.9Very high42 Ų4247.2 Ų47.220%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-132.6156.6178.966.9-178.6-43.200112.2H103 L104 I127 N129Q98-H103 CarbonylContact C-O 3.55Å; Q98-H103 WeakPolarHBondContact CA-O 3.32Å; Q98-L104 HydrophobicContact CB-CD2 4.01Å; Q98-I127 HydrophobicContact CG-CB 4.01Å; Q98-I127 HydrophobicContact CG-CG2 3.69Å; Q98-I127 PolarHBondContact N-O 3.3Å; Q98-N129 HydrophobicContact CB-CB 4.43Å; Q98-N129 HydrophobicContact CG-CB 4.16Å; Q98-N129 VanDerWaalsContact NE2-CB 3.31Å; Q98-N129 VanDerWaalsContact NE2-CG 3.31Å; Q98-N129 PolarHBondContact NE2-ND2 3.24Å; Q98-N129 PolarHBondContact OE1-ND2 2.8Å
99C96.1Very high94Very high3 Ų345.4 Ų45.42%0.0225%0.252CS..  trans-81.3173.3163.4770000111.2A101 G102 H103 C116 C119 L123C99-A101 PolarHBondContact O-N 3.04Å; C99-A101 VanDerWaalsContact O-N 3.15Å; C99-A101 PolarHBondContact SG-N 2.87Å; C99-A101 VanDerWaalsContact SG-N 3.4Å; C99-G102 PolarHBondContact O-N 2.82Å; C99-H103 PolarHBondContact N-O 2.92Å; C99-H103 PolarHBondContact SG-N 3.15Å; C99-C116 HydrophobicContact CB-CB 3.84Å; C99-C116 VanDerWaalsContact SG-SG 3.69Å; C99-C119 VanDerWaalsContact SG-SG 3.62Å; C99-L123 HydrophobicContact CB-CD2 3.67Å
100Q94.9Very high94Very high138 Ų13840.2 Ų40.265%0.64523%0.228SC*.THydrogen-bonded Turntrans-59.8-24.8177-67.71788.100113.6I127Q100-I127 HydrophobicContact CG-CD1 3.82Å
101A94.9Very high94Very high69 Ų6943.9 Ų43.957%0.5724%0.243SC*.THydrogen-bonded Turntrans-89.23.9176.500000113.7C99C99-A101 PolarHBondContact O-N 3.04Å; C99-A101 VanDerWaalsContact O-N 3.15Å; C99-A101 PolarHBondContact SG-N 2.87Å; C99-A101 VanDerWaalsContact SG-N 3.4Å
102G93.9Very high94.1Very high34 Ų3449.3 Ų49.335%0.35127%0.268SS..  trans90.90.3174.500000116.8C99C99-G102 PolarHBondContact O-N 2.82Å
103H95.7Very high94Very high64 Ų6451.9 Ų51.930%0.29628%0.281SS..  trans-73.8131.6178.5-58.2104.4000111.8Q98 C99 T118Q98-H103 CarbonylContact C-O 3.55Å; Q98-H103 WeakPolarHBondContact CA-O 3.32Å; C99-H103 PolarHBondContact N-O 2.92Å; C99-H103 PolarHBondContact SG-N 3.15Å; H103-T118 VanDerWaalsContact CD2-CG2 3.46Å; H103-T118 WeakPolarHBondContact CD2-CG2 3.45Å
104L95.7Very high94Very high22 Ų2254.4 Ų54.412%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-83.1144-176.7-54.2-172.8000112.5P86 V92 I96 L97 Q98 M132P86-L104 WeakPolarHBondContact CD-O 3.21Å; V92-L104 HydrophobicContact CG1-CB 4.36Å; V92-L104 HydrophobicContact CG2-CB 4.29Å; I96-L104 HydrophobicContact CG2-CD1 4.11Å; I96-L104 HydrophobicContact CG2-CD2 3.82Å; I96-L104 HydrophobicContact CG2-CG 4.43Å; L97-L104 CarbonylContact O-C 3.58Å; L97-L104 VanDerWaalsContact O-CA 3.31Å; L97-L104 WeakPolarHBondContact O-CA 3.39Å; Q98-L104 HydrophobicContact CB-CD2 4.01Å; L104-M132 HydrophobicContact CD1-CE 3.92Å; L104-M132 HydrophobicContact CD1-CG 4.45Å; L104-M132 HydrophobicContact CD2-CG 4.43Å
105V95.1Very high94.1Very high0 Ų055.5 Ų55.50%031%0.31CS..EExtended strand (participates in β ladder)trans-142.5137.9172.5-1760000108.6L97 C109 R110 L113 P117L97-V105 PolarHBondContact O-N 2.75Å; V105-C109 HydrophobicContact CG1-CB 3.78Å; V105-R110 HydrophobicContact CG1-CB 4.41Å; V105-L113 HydrophobicContact CG1-CD1 4.42Å; V105-P117 HydrophobicContact CG2-CG 4.3Å
106C94.1Very high94.3Very high10 Ų1053 Ų537%0.06829%0.294CS..  trans-69.8153.8176.372.20000111.9C85 C88 V92 C109 R110C85-C106 HydrophobicContact CB-CB 4.21Å; C85-C106 PolarHBondContact SG-SG 2.89Å; C88-C106 VanDerWaalsContact SG-SG 3.65Å; V92-C106 HydrophobicContact CG1-CB 4.47Å; V92-C106 HydrophobicContact CG2-CB 4.18Å; C106-C109 PolarHBondContact O-N 3.06Å; C106-C109 VanDerWaalsContact SG-CB 3.58Å; C106-C109 PolarHBondContact SG-SG 2.92Å; C106-R110 WeakPolarHBondContact O-CB 3.48Å; C106-R110 PolarHBondContact O-N 2.88Å
107N92Very high94.3Very high65 Ų6555.8 Ų55.835%0.34831%0.312SS..Hα-helixtrans-55.5-44.1-178.3-175.356.7000113.7P95 L97 C109 R110 Q111P95-N107 HydrophobicContact CG-CB 4.4Å; L97-N107 HydrophobicContact CD1-CB 4.31Å; N107-C109 PolarHBondContact O-N 3.41Å; N107-R110 PolarHBondContact O-N 2.92Å; N107-Q111 PolarHBondContact O-N 3.05Å
108P92.4Very high94.4Very high74 Ų7459 Ų5948%0.48133%0.332SS..Hα-helixtrans-61.6-38.7177-24.534.7000114.3
109C94.5Very high94.4Very high10 Ų1059.5 Ų59.57%0.06834%0.34CS..Hα-helixtrans-75.3-36.9178.6-70.90000111.6V87 V105 C106 N107 Q111 K112 L113V87-C109 HydrophobicContact CB-CB 4.01Å; V87-C109 HydrophobicContact CG1-CB 4.09Å; V87-C109 VanDerWaalsContact CG1-SG 3.58Å; V87-C109 HydrophobicContact CG2-CB 4.23Å; V105-C109 HydrophobicContact CG1-CB 3.78Å; C106-C109 PolarHBondContact O-N 3.06Å; C106-C109 VanDerWaalsContact SG-CB 3.58Å; C106-C109 PolarHBondContact SG-SG 2.92Å; N107-C109 PolarHBondContact O-N 3.41Å; C109-Q111 PolarHBondContact O-N 2.83Å; C109-K112 PolarHBondContact O-N 3.14Å; C109-L113 WeakPolarHBondContact O-CG 3.25Å; C109-L113 PolarHBondContact O-N 2.76Å
110R92.6Very high94.4Very high37 Ų3769.8 Ų69.814%0.1438%0.378CS..Hα-helixtrans-53.8-41.2177.1173.470.9-17092.60.5112.2L97 V105 C106 N107 K112 L113 L123L97-R110 HydrophobicContact CD1-CB 3.72Å; L97-R110 HydrophobicContact CD1-CG 3.59Å; V105-R110 HydrophobicContact CG1-CB 4.41Å; C106-R110 WeakPolarHBondContact O-CB 3.48Å; C106-R110 PolarHBondContact O-N 2.88Å; N107-R110 PolarHBondContact O-N 2.92Å; R110-K112 PolarHBondContact O-N 2.99Å; R110-L113 PolarHBondContact NH1-O 2.81Å; R110-L113 PolarHBondContact O-N 3.31Å; R110-L123 PolarHBondContact NE-O 2.9Å; R110-L123 PolarHBondContact NH2-O 2.99Å
111Q91.9Very high94.4Very high148 Ų14864.2 Ų64.269%0.69236%0.358SS*.THydrogen-bonded Turntrans-63.9-24-178.7-69.1176.2-10.400113.3N107 C109N107-Q111 PolarHBondContact O-N 3.05Å; C109-Q111 PolarHBondContact O-N 2.83Å
112K94.1Very high94.4Very high173 Ų17364.3 Ų64.375%0.75235%0.353SS*.THydrogen-bonded Turntrans-96.7-1.2-177.3-58.5174.1-172.61750112.8C109 R110C109-K112 PolarHBondContact O-N 3.14Å; R110-K112 PolarHBondContact O-N 2.99Å
113L92.9Very high94.3Very high55 Ų5562.8 Ų62.829%0.28834%0.337SS..  trans-125.3140.1-170.4-64.4174.5000111.9V87 V105 C109 R110 L123V87-L113 HydrophobicContact CG2-CD1 3.8Å; V105-L113 HydrophobicContact CG1-CD1 4.42Å; C109-L113 WeakPolarHBondContact O-CG 3.25Å; C109-L113 PolarHBondContact O-N 2.76Å; R110-L113 PolarHBondContact NH1-O 2.81Å; R110-L113 PolarHBondContact O-N 3.31Å; L113-L123 HydrophobicContact CB-CD1 3.76Å
114S93.1Very high94Very high95 Ų9563.8 Ų63.866%0.66435%0.351SS*.SBendtrans-96.5-30.7169.652.20000112.5L123S114-L123 PolarHBondContact O-N 3.02Å; S114-L123 VanDerWaalsContact O-N 3.07Å
115C95.6Very high93.7Very high62 Ų6266.7 Ų66.742%0.41937%0.371SS..BIsolated β-bridgetrans-124.2152.4-176.1-590000111.9G121 L123C115-G121 CarbonylContact C-O 3.47Å; C115-G121 WeakPolarHBondContact CA-O 3.2Å; C115-L123 VanDerWaalsContact C-CD1 3.42Å; C115-L123 VanDerWaalsContact O-CD1 3.24Å; C115-L123 WeakPolarHBondContact O-CD1 3.41Å
116C96.2Very high93.5Very high2 Ų270.2 Ų70.21%0.01440%0.396CS..  trans-66.4128.2179.41770000109.8C99 T118 R120 G121 L123C99-C116 HydrophobicContact CB-CB 3.84Å; C99-C116 VanDerWaalsContact SG-SG 3.69Å; C116-T118 PolarHBondContact O-N 2.85Å; C116-R120 WeakPolarHBondContact O-CA 3.35Å; C116-R120 PolarHBondContact O-N 2.89Å; C116-G121 PolarHBondContact N-O 2.87Å; C116-L123 HydrophobicContact CB-CD2 3.92Å; C116-L123 HydrophobicContact CB-CG 4.27Å
117P95.2Very high93.5Very high58 Ų5872.3 Ų72.338%0.37741%0.406SS..THydrogen-bonded Turntrans-65-25.5-179.826.5-34.8000112.7P86 V87 V105P86-P117 HydrophobicContact CB-CG 4.37Å; P86-P117 HydrophobicContact CG-CB 4.45Å; P86-P117 HydrophobicContact CG-CG 3.58Å; V87-P117 HydrophobicContact CG2-CB 4.21Å; V87-P117 HydrophobicContact CG2-CG 3.84Å; V105-P117 HydrophobicContact CG2-CG 4.3Å
118T95.4Very high93.7Very high78 Ų7875.8 Ų75.848%0.47941%0.414SS..THydrogen-bonded Turntrans-86.4-54.5-177.9-42.80000112.7H103 C116H103-T118 VanDerWaalsContact CD2-CG2 3.46Å; H103-T118 WeakPolarHBondContact CD2-CG2 3.45Å; C116-T118 PolarHBondContact O-N 2.85Å
119C96.8Very high93.8Very high52 Ų5273.3 Ų73.335%0.35140%0.397SS..THydrogen-bonded Turntrans-107.1-0.3-174.468.90000115C99 G121C99-C119 VanDerWaalsContact SG-SG 3.62Å; C119-G121 PolarHBondContact O-N 2.64Å
120R96.2Very high93.9Very high219 Ų21977.8 Ų77.883%0.82642%0.419SS*.  trans60.44.6-176.7-52.8-179.4-180-171.8-0.6115.6C116C116-R120 WeakPolarHBondContact O-CA 3.35Å; C116-R120 PolarHBondContact O-N 2.89Å
121G94.6Very high94Very high21 Ų2179.2 Ų79.222%0.21644%0.439CS..  trans-67.6161.7174.500000113C115 C116 C119 L123C115-G121 CarbonylContact C-O 3.47Å; C115-G121 WeakPolarHBondContact CA-O 3.2Å; C116-G121 PolarHBondContact N-O 2.87Å; C119-G121 PolarHBondContact O-N 2.64Å; G121-L123 PolarHBondContact O-N 2.82Å
122P94.1Very high94.1Very high72 Ų7274.2 Ų74.247%0.46842%0.416SS..BIsolated β-bridgetrans-63.8137.1179.327.5-34000110.7S124P122-S124 VanDerWaalsContact C-N 3.32Å
123L92.4Very high94.2Very high2 Ų266.8 Ų66.81%0.0138%0.384CS..  trans-89.2-3171.3-69.2170.3000112.5C99 R110 L113 S114 C115 C116 G121 P125C99-L123 HydrophobicContact CB-CD2 3.67Å; R110-L123 PolarHBondContact NE-O 2.9Å; R110-L123 PolarHBondContact NH2-O 2.99Å; L113-L123 HydrophobicContact CB-CD1 3.76Å; S114-L123 PolarHBondContact O-N 3.02Å; S114-L123 VanDerWaalsContact O-N 3.07Å; C115-L123 VanDerWaalsContact C-CD1 3.42Å; C115-L123 VanDerWaalsContact O-CD1 3.24Å; C115-L123 WeakPolarHBondContact O-CD1 3.41Å; C116-L123 HydrophobicContact CB-CD2 3.92Å; C116-L123 HydrophobicContact CB-CG 4.27Å; G121-L123 PolarHBondContact O-N 2.82Å; L123-P125 CarbonylContact C-O 3.4Å; L123-P125 CarbonylContact O-C 3.59Å; L123-P125 VanDerWaalsContact O-C 3.28Å
124S89.8Confident94.2Very high84 Ų8471.7 Ų71.759%0.58740%0.403SS*.  trans-97.5134.9174.9-168.50000110.4P122P122-S124 VanDerWaalsContact C-N 3.32Å
125P88.7Confident94.2Very high84 Ų8470 Ų7055%0.54539%0.389SS..SBendcis-68.5162.2-4.431.5-36.4000112.1L123 I127L123-P125 CarbonylContact C-O 3.4Å; L123-P125 CarbonylContact O-C 3.59Å; L123-P125 VanDerWaalsContact O-C 3.28Å; P125-I127 PolarHBondContact O-N 3.2Å
126S90.9Very high94Very high74 Ų7467.1 Ų67.152%0.51737%0.369SS..  trans-69.7111.3175.4-166.30000110.2
127I94.5Very high93.8Very high54 Ų5469.8 Ų69.828%0.27739%0.388SS..EExtended strand (participates in β ladder)trans-99.7117.4-178.5-56.7167.4000108.8L97 Q98 Q100 P125L97-I127 WeakPolarHBondContact CA-O 3.43Å; Q98-I127 HydrophobicContact CG-CB 4.01Å; Q98-I127 HydrophobicContact CG-CG2 3.69Å; Q98-I127 PolarHBondContact N-O 3.3Å; Q100-I127 HydrophobicContact CG-CD1 3.82Å; P125-I127 PolarHBondContact O-N 3.2Å
128R95.6Very high93.6Very high137 Ų13771.9 Ų71.952%0.51740%0.399SS..EExtended strand (participates in β ladder)trans-87.3130.9175-169.2177.4169.8-173.2-4110.2I96 L97 L130 E133I96-R128 CarbonylContact O-C 3.5Å; I96-R128 WeakPolarHBondContact O-CA 3.34Å; L97-R128 HydrophobicContact CD2-CB 4.21Å; L97-R128 HydrophobicContact CD2-CG 4.36Å; R128-L130 HydrophobicContact CG-CD2 4.21Å; R128-L130 PolarHBondContact O-N 2.84Å; R128-E133 WeakPolarHBondContact CG-OE1 3.38Å; R128-E133 IonicContact CZ-OE1 2.64Å; R128-E133 IonicContact CZ-OE2 3.66Å; R128-E133 VanDerWaalsContact CZ-OE2 3.29Å; R128-E133 VanDerWaalsContact NE-CD 3.31Å; R128-E133 IonicContact NE-OE1 3.36Å; R128-E133 PolarHBondContact NE-OE1 3.45Å; R128-E133 IonicContact NE-OE2 3.16Å; R128-E133 PolarHBondContact NE-OE2 2.93Å; R128-E133 VanDerWaalsContact NE-OE2 3.15Å; R128-E133 IonicContact NH2-OE1 2.71Å; R128-E133 PolarHBondContact NH2-OE1 3.06Å; R128-E133 IonicContact NH2-OE2 3.91Å; R128-E133 PolarHBondContact NH2-OE2 3.03Å
129N95.5Very high93.4Very high23 Ų2369.1 Ų69.112%0.12338%0.382CS..  trans-95.883.5-179.6-166.4-27.7000111I96 Q98 A131 M132 E133I96-N129 HydrophobicContact CG2-CB 4.15Å; I96-N129 PolarHBondContact O-N 2.88Å; Q98-N129 HydrophobicContact CB-CB 4.43Å; Q98-N129 HydrophobicContact CG-CB 4.16Å; Q98-N129 VanDerWaalsContact NE2-CB 3.31Å; Q98-N129 VanDerWaalsContact NE2-CG 3.31Å; Q98-N129 PolarHBondContact NE2-ND2 3.24Å; Q98-N129 PolarHBondContact OE1-ND2 2.8Å; N129-A131 PolarHBondContact O-N 2.84Å; N129-A131 PolarHBondContact OD1-N 2.87Å; N129-M132 HydrophobicContact CB-CB 4.12Å; N129-M132 HydrophobicContact CB-CG 4.36Å; N129-M132 VanDerWaalsContact CG-CG 3.44Å; N129-M132 WeakPolarHBondContact ND2-CG 3.39Å; N129-M132 PolarHBondContact O-N 3.46Å; N129-M132 PolarHBondContact OD1-N 2.92Å; N129-E133 WeakPolarHBondContact O-CG 3.42Å; N129-E133 PolarHBondContact O-N 2.85Å; N129-E133 VanDerWaalsContact O-N 3.08Å
130L95.7Very high93.2Very high104 Ų10468.5 Ų68.555%0.54538%0.377SS..Hα-helixtrans-61.6-29.3-179.6-59.3177.5000113.3R128 E133 K134R128-L130 HydrophobicContact CG-CD2 4.21Å; R128-L130 PolarHBondContact O-N 2.84Å; L130-E133 PolarHBondContact O-N 2.71Å; L130-K134 WeakPolarHBondContact O-CG 3.46Å; L130-K134 PolarHBondContact O-N 2.87Å
131A94.7Very high93.1Very high66 Ų6658.1 Ų58.155%0.54534%0.338SS..Hα-helixtrans-67.6-47.5176.900000110.5N129 E133 K134 V135N129-A131 PolarHBondContact O-N 2.84Å; N129-A131 PolarHBondContact OD1-N 2.87Å; A131-E133 VanDerWaalsContact C-N 3.26Å; A131-E133 PolarHBondContact O-N 2.88Å; A131-K134 WeakPolarHBondContact O-CB 3.38Å; A131-K134 PolarHBondContact O-N 3.04Å; A131-K134 VanDerWaalsContact O-N 3.14Å; A131-V135 WeakPolarHBondContact O-CG2 3.25Å; A131-V135 PolarHBondContact O-N 3.23Å
132M94.8Very high93Very high43 Ų4358 Ų5821%0.21233%0.334CS..Hα-helixtrans-65.9-29.3176.9-70-56.9-73.400112.6F83 I96 L104 N129 V135 A136F83-M132 HydrophobicContact CD1-CE 4.27Å; F83-M132 HydrophobicContact CD2-CE 4.46Å; F83-M132 HydrophobicContact CE1-CB 4.26Å; F83-M132 HydrophobicContact CE1-CE 3.54Å; F83-M132 WeakPolarHBondContact CE1-O 3.27Å; F83-M132 HydrophobicContact CE2-CE 3.77Å; F83-M132 HydrophobicContact CZ-CE 3.26Å; F83-M132 HydrophobicContact CZ-SD 4.42Å; I96-M132 HydrophobicContact CD1-CB 4.11Å; I96-M132 HydrophobicContact CG2-CB 4.03Å; L104-M132 HydrophobicContact CD1-CE 3.92Å; L104-M132 HydrophobicContact CD1-CG 4.45Å; L104-M132 HydrophobicContact CD2-CG 4.43Å; N129-M132 HydrophobicContact CB-CB 4.12Å; N129-M132 HydrophobicContact CB-CG 4.36Å; N129-M132 VanDerWaalsContact CG-CG 3.44Å; N129-M132 WeakPolarHBondContact ND2-CG 3.39Å; N129-M132 PolarHBondContact O-N 3.46Å; N129-M132 PolarHBondContact OD1-N 2.92Å; M132-V135 PolarHBondContact O-N 3.48Å; M132-A136 WeakPolarHBondContact O-CB 3.49Å; M132-A136 PolarHBondContact O-N 3.47Å
133E94.8Very high93Very high17 Ų1754.7 Ų54.78%0.07931%0.312CS..Hα-helixtrans-65.9-39172.3-69.4177.4-172.400112.8P94 P95 I96 R128 N129 L130 A131 A136 S137P94-E133 HydrophobicContact CB-CG 4.01Å; P94-E133 HydrophobicContact CG-CB 4.2Å; P94-E133 HydrophobicContact CG-CG 4.03Å; P95-E133 VanDerWaalsContact CA-OE1 3.26Å; P95-E133 WeakPolarHBondContact CA-OE1 3.27Å; I96-E133 HydrophobicContact CB-CG 3.86Å; I96-E133 HydrophobicContact CD1-CG 4.16Å; I96-E133 HydrophobicContact CG1-CG 3.82Å; I96-E133 PolarHBondContact N-OE1 3.48Å; R128-E133 WeakPolarHBondContact CG-OE1 3.38Å; R128-E133 IonicContact CZ-OE1 2.64Å; R128-E133 IonicContact CZ-OE2 3.66Å; R128-E133 VanDerWaalsContact CZ-OE2 3.29Å; R128-E133 VanDerWaalsContact NE-CD 3.31Å; R128-E133 IonicContact NE-OE1 3.36Å; R128-E133 PolarHBondContact NE-OE1 3.45Å; R128-E133 IonicContact NE-OE2 3.16Å; R128-E133 PolarHBondContact NE-OE2 2.93Å; R128-E133 VanDerWaalsContact NE-OE2 3.15Å; R128-E133 IonicContact NH2-OE1 2.71Å; R128-E133 PolarHBondContact NH2-OE1 3.06Å; R128-E133 IonicContact NH2-OE2 3.91Å; R128-E133 PolarHBondContact NH2-OE2 3.03Å; N129-E133 WeakPolarHBondContact O-CG 3.42Å; N129-E133 PolarHBondContact O-N 2.85Å; N129-E133 VanDerWaalsContact O-N 3.08Å; L130-E133 PolarHBondContact O-N 2.71Å; A131-E133 VanDerWaalsContact C-N 3.26Å; A131-E133 PolarHBondContact O-N 2.88Å; E133-A136 PolarHBondContact O-N 3.41Å; E133-S137 WeakPolarHBondContact O-CB 3.4Å; E133-S137 PolarHBondContact O-N 3.36Å; E133-S137 PolarHBondContact O-OG 2.86Å
134K93.8Very high93Very high159 Ų15958.6 Ų58.669%0.69133%0.329SS*.Hα-helixtrans-63.7-43.3173.3-70.8177.7-179.8-177.10110.8L130 A131 S137L130-K134 WeakPolarHBondContact O-CG 3.46Å; L130-K134 PolarHBondContact O-N 2.87Å; A131-K134 WeakPolarHBondContact O-CB 3.38Å; A131-K134 PolarHBondContact O-N 3.04Å; A131-K134 VanDerWaalsContact O-N 3.14Å; K134-S137 WeakPolarHBondContact O-CB 3.3Å; K134-S137 PolarHBondContact O-N 2.89Å
135V92.9Very high93.2Very high60 Ų6056.2 Ų56.236%0.36431%0.307SS..Hα-helixtrans-61.7-50.1175.7178.50000110.6F83 A131 M132 S137 T138 L139F83-V135 HydrophobicContact CE2-CG1 4.16Å; F83-V135 HydrophobicContact CZ-CB 4.09Å; F83-V135 HydrophobicContact CZ-CG1 3.8Å; A131-V135 WeakPolarHBondContact O-CG2 3.25Å; A131-V135 PolarHBondContact O-N 3.23Å; M132-V135 PolarHBondContact O-N 3.48Å; V135-S137 PolarHBondContact O-N 3.32Å; V135-S137 VanDerWaalsContact O-N 3.17Å; V135-T138 PolarHBondContact O-N 3.09Å; V135-T138 PolarHBondContact O-OG1 2.84Å; V135-L139 HydrophobicContact CG1-CD1 3.94Å; V135-L139 PolarHBondContact O-N 3.04Å
136A92.3Very high93.4Very high0 Ų055 Ų550%030%0.301CS..Hα-helixtrans-56.8-32.617700000112.9F83 P94 I96 M132 E133 T138 L139 F141F83-A136 HydrophobicContact CD1-CB 4.27Å; F83-A136 HydrophobicContact CE1-CB 3.65Å; F83-A136 HydrophobicContact CZ-CB 4.11Å; P94-A136 HydrophobicContact CG-CB 4.39Å; I96-A136 HydrophobicContact CD1-CB 3.88Å; M132-A136 WeakPolarHBondContact O-CB 3.49Å; M132-A136 PolarHBondContact O-N 3.47Å; E133-A136 PolarHBondContact O-N 3.41Å; A136-T138 PolarHBondContact O-N 2.98Å; A136-L139 PolarHBondContact O-N 3.47Å; A136-L139 VanDerWaalsContact O-O 3.14Å; A136-F141 HydrophobicContact CB-CE2 4.2Å; A136-F141 HydrophobicContact CB-CZ 4.06Å
137S91.3Very high93.3Very high59 Ų5955.3 Ų55.341%0.41332%0.316SS..Hα-helixtrans-68.2-20.1177.4-58.90000113.6E133 K134 V135 H155 H156E133-S137 WeakPolarHBondContact O-CB 3.4Å; E133-S137 PolarHBondContact O-N 3.36Å; E133-S137 PolarHBondContact O-OG 2.86Å; K134-S137 WeakPolarHBondContact O-CB 3.3Å; K134-S137 PolarHBondContact O-N 2.89Å; V135-S137 PolarHBondContact O-N 3.32Å; V135-S137 VanDerWaalsContact O-N 3.17Å; S137-H155 PolarHBondContact O-ND1 2.83Å; S137-H156 PolarHBondContact OG-NE2 2.79Å
138T90.8Very high93.1Very high101 Ų10156 Ų5662%0.6233%0.325SS*.Hα-helixtrans-93.7-13.2176.6670000113.2V135 A136V135-T138 PolarHBondContact O-N 3.09Å; V135-T138 PolarHBondContact O-OG1 2.84Å; A136-T138 PolarHBondContact O-N 2.98Å
139L91.6Very high92.9Very high20 Ų2051 Ų5111%0.10532%0.316CS..  trans-103.2138-175.1-64.1176.2000111.3L79 F83 V135 A136 F141 H155L79-L139 HydrophobicContact CB-CD1 4.23Å; L79-L139 HydrophobicContact CD1-CD2 4.49Å; F83-L139 HydrophobicContact CD2-CD1 4.4Å; F83-L139 HydrophobicContact CE2-CD1 3.69Å; F83-L139 HydrophobicContact CZ-CD1 4.34Å; V135-L139 HydrophobicContact CG1-CD1 3.94Å; V135-L139 PolarHBondContact O-N 3.04Å; A136-L139 PolarHBondContact O-N 3.47Å; A136-L139 VanDerWaalsContact O-O 3.14Å; L139-F141 HydrophobicContact CB-CE2 4.2Å; L139-F141 HydrophobicContact CB-CZ 4.19Å; L139-F141 WeakPolarHBondContact O-CE2 3.46Å; L139-H155 PolarHBondContact O-ND1 3.18Å; L139-H155 VanDerWaalsContact O-ND1 3.16Å
140P92.5Very high92.9Very high40 Ų4050.2 Ų50.226%0.2631%0.312SS..  trans-86.1143.5165.237.5-35.2000109.8T80 V153T80-P140 WeakPolarHBondContact CG2-O 3.46Å; P140-V153 HydrophobicContact CB-CG1 3.74Å; P140-V153 HydrophobicContact CG-CG1 4.21Å
141F92.9Very high92.8Very high0 Ų051.8 Ų51.80%032%0.321CS..EExtended strand (participates in β ladder)trans-118137.3179.5-63.2-88.8000110.1T80 F83 Y91 L93 A136 L139 V153 L154 K159T80-F141 HydrophobicContact CG2-CD1 4.02Å; T80-F141 HydrophobicContact CG2-CE1 4.2Å; F83-F141 HydrophobicContact CB-CE1 3.82Å; F83-F141 HydrophobicContact CB-CZ 4.42Å; F83-F141 HydrophobicContact CD1-CZ 4.3Å; F83-F141 HydrophobicContact CD2-CE1 4.03Å; F83-F141 HydrophobicContact CD2-CZ 4.21Å; F83-F141 AromaticContact CG-CE1 3.87Å; F83-F141 HydrophobicContact CG-CE1 3.87Å; F83-F141 HydrophobicContact CG-CZ 4.05Å; Y91-F141 AromaticContact CD1-CD1 3.74Å; Y91-F141 HydrophobicContact CD1-CD1 3.74Å; Y91-F141 HydrophobicContact CD1-CE1 4.19Å; Y91-F141 HydrophobicContact CD2-CB 4.27Å; Y91-F141 HydrophobicContact CD2-CD1 4.25Å; Y91-F141 HydrophobicContact CE1-CD1 4.2Å; Y91-F141 AromaticContact CG-CD1 3.77Å; Y91-F141 HydrophobicContact CG-CD1 3.77Å; Y91-F141 HydrophobicContact CG-CE1 4.44Å; Y91-F141 HydrophobicContact CG-CG 4.5Å; L93-F141 HydrophobicContact CD2-CD1 4.36Å; L93-F141 HydrophobicContact CD2-CD2 3.8Å; L93-F141 HydrophobicContact CD2-CE1 4.37Å; L93-F141 HydrophobicContact CD2-CE2 3.81Å; L93-F141 HydrophobicContact CD2-CG 4.08Å; L93-F141 HydrophobicContact CD2-CZ 4.1Å; A136-F141 HydrophobicContact CB-CE2 4.2Å; A136-F141 HydrophobicContact CB-CZ 4.06Å; L139-F141 HydrophobicContact CB-CE2 4.2Å; L139-F141 HydrophobicContact CB-CZ 4.19Å; L139-F141 WeakPolarHBondContact O-CE2 3.46Å; F141-V153 WeakPolarHBondContact O-CA 3.15Å; F141-L154 PolarHBondContact N-O 3.28Å; F141-L154 PolarHBondContact O-N 3.29Å; F141-K159 HydrophobicContact CB-CD 3.89Å
142P94.1Very high92.8Very high20 Ų2053 Ų5313%0.1332%0.318CS..EExtended strand (participates in β ladder)trans-66149.4175.628.2-33.2000110.4Y91 V153 K159Y91-P142 HydrophobicContact CE2-CG 3.77Å; Y91-P142 WeakPolarHBondContact OH-CG 3.34Å; P142-V153 HydrophobicContact CB-CG2 4.45Å; P142-K159 PolarHBondContact O-NZ 3.27Å
143C94.4Very high92.8Very high1 Ų152.9 Ų52.91%0.00732%0.319CS..  trans-54.2141.7171.2-179.40000110.8Y145 S146 C150 L152 H162C143-Y145 PolarHBondContact O-N 3.48Å; C143-Y145 VanDerWaalsContact O-N 3.14Å; C143-Y145 PolarHBondContact SG-N 2.93Å; C143-Y145 VanDerWaalsContact SG-N 3.44Å; C143-S146 VanDerWaalsContact O-CB 3.24Å; C143-S146 WeakPolarHBondContact O-CB 3.5Å; C143-S146 PolarHBondContact O-N 2.99Å; C143-S146 PolarHBondContact O-OG 3.04Å; C143-C150 HydrophobicContact CB-CB 3.98Å; C143-C150 VanDerWaalsContact CB-SG 3.57Å; C143-L152 PolarHBondContact N-O 3.5Å; C143-H162 PolarHBondContact SG-NE2 3.47Å
144K92.3Very high92.8Very high84 Ų8453.4 Ų53.437%0.36532%0.322SS..THydrogen-bonded Turntrans-62.4-20.4176.772.9-175.3171.3-138.30113.3S146 E163K144-S146 VanDerWaalsContact C-N 3.26Å; K144-S146 PolarHBondContact O-N 3.44Å; K144-E163 WeakPolarHBondContact CB-OE1 3.44Å; K144-E163 HydrophobicContact CD-CG 4.47Å; K144-E163 VanDerWaalsContact CD-OE2 3.25Å; K144-E163 WeakPolarHBondContact CD-OE2 3.23Å; K144-E163 VanDerWaalsContact CE-OE2 3.26Å; K144-E163 WeakPolarHBondContact CE-OE2 3.49Å; K144-E163 HydrophobicContact CG-CG 4.18Å; K144-E163 WeakPolarHBondContact CG-OE1 3.43Å; K144-E163 PolarHBondContact N-OE1 2.84Å; K144-E163 IonicContact NZ-OE2 2.78Å; K144-E163 PolarHBondContact NZ-OE2 3.03Å
145Y93.1Very high92.8Very high34 Ų3449.3 Ų49.313%0.13331%0.306CS..THydrogen-bonded Turntrans-89.819.1175-49.3-62.3000112.9C143 G147 S148 G149 C150 E163 C166 R169 P170C143-Y145 PolarHBondContact O-N 3.48Å; C143-Y145 VanDerWaalsContact O-N 3.14Å; C143-Y145 PolarHBondContact SG-N 2.93Å; C143-Y145 VanDerWaalsContact SG-N 3.44Å; Y145-G147 VanDerWaalsContact C-N 3.27Å; Y145-G147 PolarHBondContact O-N 2.88Å; Y145-S148 CarbonylContact O-C 3.54Å; Y145-S148 WeakPolarHBondContact O-CA 3.24Å; Y145-S148 WeakPolarHBondContact O-CB 3.46Å; Y145-S148 PolarHBondContact O-N 2.85Å; Y145-G149 PolarHBondContact O-N 2.92Å; Y145-C150 WeakPolarHBondContact O-CB 3.29Å; Y145-C150 PolarHBondContact O-N 2.83Å; Y145-C150 VanDerWaalsContact O-N 3.15Å; Y145-E163 HydrophobicContact CE2-CB 4.1Å; Y145-E163 HydrophobicContact CE2-CG 4.31Å; Y145-E163 WeakPolarHBondContact CE2-O 3.47Å; Y145-C166 HydrophobicContact CD2-CB 3.74Å; Y145-C166 HydrophobicContact CE2-CB 4.1Å; Y145-R169 HydrophobicContact CD2-CB 4.13Å; Y145-R169 HydrophobicContact CE1-CB 4.23Å; Y145-R169 HydrophobicContact CE1-CG 4.12Å; Y145-R169 HydrophobicContact CE2-CB 3.73Å; Y145-R169 HydrophobicContact CE2-CG 4.04Å; Y145-R169 WeakPolarHBondContact OH-CG 3.47Å; Y145-P170 VanDerWaalsContact CE1-CD 3.45Å
146S92.9Very high92.7Very high59 Ų5948.8 Ų48.841%0.41330%0.299SS..G310 helixtrans-58.8-38.6175.758.40000112.6C143 K144 S148 G149 C150C143-S146 VanDerWaalsContact O-CB 3.24Å; C143-S146 WeakPolarHBondContact O-CB 3.5Å; C143-S146 PolarHBondContact O-N 2.99Å; C143-S146 PolarHBondContact O-OG 3.04Å; K144-S146 VanDerWaalsContact C-N 3.26Å; K144-S146 PolarHBondContact O-N 3.44Å; S146-S148 PolarHBondContact O-N 3.09Å; S146-G149 PolarHBondContact O-N 3.35Å; S146-C150 VanDerWaalsContact CA-O 3.29Å; S146-C150 WeakPolarHBondContact CA-O 3.19Å
147G89.4Confident92.7Very high81 Ų8152.5 Ų52.584%0.83533%0.325SS*.G310 helixtrans-63.8-19173.100000114.2Y145Y145-G147 VanDerWaalsContact C-N 3.27Å; Y145-G147 PolarHBondContact O-N 2.88Å
148S89.8Confident92.8Very high68 Ų6855 Ų5548%0.47633%0.33SS..G310 helixtrans-95.9-0.6175.4-57.50000113Y145 S146 F168Y145-S148 CarbonylContact O-C 3.54Å; Y145-S148 WeakPolarHBondContact O-CA 3.24Å; Y145-S148 WeakPolarHBondContact O-CB 3.46Å; Y145-S148 PolarHBondContact O-N 2.85Å; S146-S148 PolarHBondContact O-N 3.09Å; S148-F168 WeakPolarHBondContact CB-O 3.24Å; S148-F168 WeakPolarHBondContact O-CD1 3.35Å
149G92.3Very high93Very high32 Ų3250.5 Ų50.533%0.3330%0.302SS..THydrogen-bonded Turntrans115.6-1.7175.600000115.5Y145 S146 L151 F168Y145-G149 PolarHBondContact O-N 2.92Å; S146-G149 PolarHBondContact O-N 3.35Å; G149-L151 PolarHBondContact O-N 3.02Å; G149-F168 WeakPolarHBondContact O-CZ 3.15Å
150C94.3Very high93Very high6 Ų652 Ų524%0.04132%0.318CS..  trans-72.1115.2177.2-170.10000111.8C143 Y145 S146 H162 F168C143-C150 HydrophobicContact CB-CB 3.98Å; C143-C150 VanDerWaalsContact CB-SG 3.57Å; Y145-C150 WeakPolarHBondContact O-CB 3.29Å; Y145-C150 PolarHBondContact O-N 2.83Å; Y145-C150 VanDerWaalsContact O-N 3.15Å; S146-C150 VanDerWaalsContact CA-O 3.29Å; S146-C150 WeakPolarHBondContact CA-O 3.19Å; C150-H162 PolarHBondContact SG-NE2 2.8Å; C150-H162 VanDerWaalsContact SG-NE2 3.42Å; C150-F168 VanDerWaalsContact CA-CD2 3.4Å; C150-F168 HydrophobicContact CB-CB 4.01Å; C150-F168 HydrophobicContact CB-CD2 3.48Å; C150-F168 VanDerWaalsContact CB-CD2 3.48Å; C150-F168 HydrophobicContact CB-CE2 4.21Å; C150-F168 HydrophobicContact CB-CG 3.94Å
151L94.7Very high93Very high137 Ų13755.1 Ų55.172%0.71733%0.332SS*.  trans-900.8-179.9-56.5-179.1000113.8G149G149-L151 PolarHBondContact O-N 3.02Å
152L94.7Very high93.1Very high92 Ų9256.7 Ų56.748%0.48234%0.339SS..  trans-75.6137.4-176.1-67.3177.1000112C143 L154 H162C143-L152 PolarHBondContact N-O 3.5Å; L152-L154 HydrophobicContact CB-CD1 4.19Å; L152-L154 HydrophobicContact CB-CG 4.45Å; L152-H162 WeakPolarHBondContact CD1-CE1 3.43Å
153V93.6Very high93Very high40 Ų4056.7 Ų56.724%0.24234%0.338CS..EExtended strand (participates in β ladder)trans-127.7122.4178.6-166.70000107.3L72 Q75 P140 F141 P142L72-V153 HydrophobicContact CD1-CG2 3.92Å; Q75-V153 HydrophobicContact CG-CG1 4.45Å; P140-V153 HydrophobicContact CB-CG1 3.74Å; P140-V153 HydrophobicContact CG-CG1 4.21Å; F141-V153 WeakPolarHBondContact O-CA 3.15Å; P142-V153 HydrophobicContact CB-CG2 4.45Å
154L94.3Very high92.7Very high28 Ų2862.6 Ų62.615%0.14737%0.365CS..EExtended strand (participates in β ladder)trans-136.4149.4-160-65.9151.1000110.4F141 L152 Q158 K159 H162F141-L154 PolarHBondContact N-O 3.28Å; F141-L154 PolarHBondContact O-N 3.29Å; L152-L154 HydrophobicContact CB-CD1 4.19Å; L152-L154 HydrophobicContact CB-CG 4.45Å; L154-Q158 HydrophobicContact CD2-CB 4.39Å; L154-K159 HydrophobicContact CB-CB 4.33Å; L154-H162 HydrophobicContact CD1-CB 3.48Å; L154-H162 VanDerWaalsContact CD1-CB 3.48Å; L154-H162 WeakPolarHBondContact CD1-CD2 3.04Å
155H94.1Very high92.5Very high74 Ų7463.8 Ų63.834%0.34338%0.375SS..  trans-68.4155.8168.2-78.5-71.4000111.2S137 L139 S157 Q158 K159S137-H155 PolarHBondContact O-ND1 2.83Å; L139-H155 PolarHBondContact O-ND1 3.18Å; L139-H155 VanDerWaalsContact O-ND1 3.16Å; H155-S157 PolarHBondContact O-N 3.22Å; H155-Q158 PolarHBondContact O-N 3.1Å; H155-K159 PolarHBondContact O-N 3.02Å; H155-K159 VanDerWaalsContact O-N 3.07Å
156H91.6Very high92.5Very high49 Ų4962.3 Ų62.323%0.22737%0.37CS..Hα-helixtrans-53.4-33.1-177.671.277.7000113.3L93 S137 Q158L93-H156 HydrophobicContact CB-CB 4.33Å; L93-H156 HydrophobicContact CD1-CB 4.31Å; L93-H156 HydrophobicContact CD2-CB 3.91Å; L93-H156 HydrophobicContact CG-CB 4.4Å; S137-H156 PolarHBondContact OG-NE2 2.79Å; H156-Q158 VanDerWaalsContact C-N 3.3Å; H156-Q158 PolarHBondContact O-N 2.71Å
157S92.2Very high92.2Very high78 Ų7866.8 Ų66.855%0.54538%0.384SS..Hα-helixtrans-68.9-23.9-178.857.40000114.1H155H155-S157 PolarHBondContact O-N 3.22Å
158Q93.9Very high92.3Very high112 Ų11267.1 Ų67.152%0.52336%0.363SS..Hα-helixtrans-109.7-15-178-67.4171.1-26.500112.5L154 H155 H156 A160 H162L154-Q158 HydrophobicContact CD2-CB 4.39Å; H155-Q158 PolarHBondContact O-N 3.1Å; H156-Q158 VanDerWaalsContact C-N 3.3Å; H156-Q158 PolarHBondContact O-N 2.71Å; Q158-A160 PolarHBondContact O-N 2.92Å; Q158-H162 WeakPolarHBondContact O-CB 3.48Å; Q158-H162 PolarHBondContact O-N 2.74Å
159K93.8Very high92.4Very high6 Ų667.7 Ų67.73%0.02635%0.354CS..Hα-helixtrans-65.1-40.9-172.6178.4166.3158.870.80112.6L93 F141 P142 L154 H155 E163L93-K159 HydrophobicContact CD1-CB 4.49Å; L93-K159 HydrophobicContact CD1-CD 3.78Å; L93-K159 HydrophobicContact CD1-CG 4.33Å; F141-K159 HydrophobicContact CB-CD 3.89Å; P142-K159 PolarHBondContact O-NZ 3.27Å; L154-K159 HydrophobicContact CB-CB 4.33Å; H155-K159 PolarHBondContact O-N 3.02Å; H155-K159 VanDerWaalsContact O-N 3.07Å; K159-E163 WeakPolarHBondContact CE-OE1 3.06Å; K159-E163 HydrophobicContact CG-CG 4.43Å; K159-E163 IonicContact NZ-OE1 2.63Å; K159-E163 PolarHBondContact NZ-OE1 2.88Å; K159-E163 WeakPolarHBondContact O-CB 3.27Å; K159-E163 VanDerWaalsContact O-CG 3.27Å; K159-E163 WeakPolarHBondContact O-CG 3.47Å; K159-E163 PolarHBondContact O-N 2.73Å
160A91.4Very high92.4Very high52 Ų5268.4 Ų68.443%0.4335%0.353SS..Hα-helixtrans-61.8-53.2178.400000111.2Q158 H162 E163 E164Q158-A160 PolarHBondContact O-N 2.92Å; A160-H162 VanDerWaalsContact C-N 3.29Å; A160-H162 PolarHBondContact O-N 2.83Å; A160-E163 PolarHBondContact O-N 2.79Å; A160-E163 VanDerWaalsContact O-N 3.08Å; A160-E164 PolarHBondContact O-N 3.18Å; A160-E164 VanDerWaalsContact O-N 3.08Å
161D93.1Very high92.3Very high104 Ų10468.9 Ų68.956%0.55635%0.354SS*.Hα-helixtrans-57.4-42.5179.4-56.2-11.9000111.9
162H94.1Very high92.2Very high34 Ų3466.2 Ų66.216%0.15734%0.344CS..Hα-helixtrans-62.6-48.1174.7167.164.9000112.1C143 C150 L152 L154 Q158 A160 E164 L165 C166C143-H162 PolarHBondContact SG-NE2 3.47Å; C150-H162 PolarHBondContact SG-NE2 2.8Å; C150-H162 VanDerWaalsContact SG-NE2 3.42Å; L152-H162 WeakPolarHBondContact CD1-CE1 3.43Å; L154-H162 HydrophobicContact CD1-CB 3.48Å; L154-H162 VanDerWaalsContact CD1-CB 3.48Å; L154-H162 WeakPolarHBondContact CD1-CD2 3.04Å; Q158-H162 WeakPolarHBondContact O-CB 3.48Å; Q158-H162 PolarHBondContact O-N 2.74Å; A160-H162 VanDerWaalsContact C-N 3.29Å; A160-H162 PolarHBondContact O-N 2.83Å; H162-E164 VanDerWaalsContact C-N 3.27Å; H162-E164 PolarHBondContact O-N 2.89Å; H162-L165 CarbonylContact O-C 3.31Å; H162-L165 PolarHBondContact O-N 2.87Å; H162-L165 VanDerWaalsContact O-N 3.09Å; H162-C166 WeakPolarHBondContact O-CA 3.26Å; H162-C166 WeakPolarHBondContact O-CB 3.48Å; H162-C166 PolarHBondContact O-N 3.01Å
163E93.1Very high92.1Very high20 Ų2062.6 Ų62.69%0.09333%0.326CS..Hα-helixtrans-65.6-29-175.6-76.8179.5176.500113.2K144 Y145 K159 A160 L165K144-E163 WeakPolarHBondContact CB-OE1 3.44Å; K144-E163 HydrophobicContact CD-CG 4.47Å; K144-E163 VanDerWaalsContact CD-OE2 3.25Å; K144-E163 WeakPolarHBondContact CD-OE2 3.23Å; K144-E163 VanDerWaalsContact CE-OE2 3.26Å; K144-E163 WeakPolarHBondContact CE-OE2 3.49Å; K144-E163 HydrophobicContact CG-CG 4.18Å; K144-E163 WeakPolarHBondContact CG-OE1 3.43Å; K144-E163 PolarHBondContact N-OE1 2.84Å; K144-E163 IonicContact NZ-OE2 2.78Å; K144-E163 PolarHBondContact NZ-OE2 3.03Å; Y145-E163 HydrophobicContact CE2-CB 4.1Å; Y145-E163 HydrophobicContact CE2-CG 4.31Å; Y145-E163 WeakPolarHBondContact CE2-O 3.47Å; K159-E163 WeakPolarHBondContact CE-OE1 3.06Å; K159-E163 HydrophobicContact CG-CG 4.43Å; K159-E163 IonicContact NZ-OE1 2.63Å; K159-E163 PolarHBondContact NZ-OE1 2.88Å; K159-E163 WeakPolarHBondContact O-CB 3.27Å; K159-E163 VanDerWaalsContact O-CG 3.27Å; K159-E163 WeakPolarHBondContact O-CG 3.47Å; K159-E163 PolarHBondContact O-N 2.73Å; A160-E163 PolarHBondContact O-N 2.79Å; A160-E163 VanDerWaalsContact O-N 3.08Å; E163-L165 VanDerWaalsContact C-N 3.25Å; E163-L165 PolarHBondContact O-N 3.36Å
164E89Confident92Very high124 Ų12461.6 Ų61.658%0.57932%0.32SS*.Hα-helixtrans-63.9-34.9173.4-71.3-175.3177.500112A160 H162 R169A160-E164 PolarHBondContact O-N 3.18Å; A160-E164 VanDerWaalsContact O-N 3.08Å; H162-E164 VanDerWaalsContact C-N 3.27Å; H162-E164 PolarHBondContact O-N 2.89Å; E164-R169 PolarHBondContact O-NH1 3Å
165L88.1Confident91.5Very high109 Ų10961.5 Ų61.557%0.57132%0.321SS*.Hα-helixtrans-105.2-4-174-58.8177.2000114.1H162 E163 E167 R260H162-L165 CarbonylContact O-C 3.31Å; H162-L165 PolarHBondContact O-N 2.87Å; H162-L165 VanDerWaalsContact O-N 3.09Å; E163-L165 VanDerWaalsContact C-N 3.25Å; E163-L165 PolarHBondContact O-N 3.36Å; L165-E167 PolarHBondContact O-N 3.27Å; L165-R260 PolarHBondContact O-NH1 3.27Å
166C91.1Very high90.6Very high4 Ų459 Ų593%0.02731%0.312CS..  trans-58.4129.4-173.6-177.70000112Y145 H162 F168 R169Y145-C166 HydrophobicContact CD2-CB 3.74Å; Y145-C166 HydrophobicContact CE2-CB 4.1Å; H162-C166 WeakPolarHBondContact O-CA 3.26Å; H162-C166 WeakPolarHBondContact O-CB 3.48Å; H162-C166 PolarHBondContact O-N 3.01Å; C166-F168 PolarHBondContact O-N 3.17Å; C166-R169 WeakPolarHBondContact O-CB 3.31Å; C166-R169 PolarHBondContact O-N 3.1Å; C166-R169 VanDerWaalsContact O-N 3.14Å
167E88.3Confident89.5Confident153 Ų15360.3 Ų60.372%0.71534%0.339SS*.THydrogen-bonded Turntrans-68.8-20.4-178.9-60.2-175.3142.700113.4L165 R169L165-E167 PolarHBondContact O-N 3.27Å; E167-R169 VanDerWaalsContact C-N 3.31Å
168F91Very high88Confident88 Ų8858.6 Ų58.639%0.38633%0.329SS..THydrogen-bonded Turntrans-89.92.5177.1-60.1-82.1000112.9S148 G149 C150 C166S148-F168 WeakPolarHBondContact CB-O 3.24Å; S148-F168 WeakPolarHBondContact O-CD1 3.35Å; G149-F168 WeakPolarHBondContact O-CZ 3.15Å; C150-F168 VanDerWaalsContact CA-CD2 3.4Å; C150-F168 HydrophobicContact CB-CB 4.01Å; C150-F168 HydrophobicContact CB-CD2 3.48Å; C150-F168 VanDerWaalsContact CB-CD2 3.48Å; C150-F168 HydrophobicContact CB-CE2 4.21Å; C150-F168 HydrophobicContact CB-CG 3.94Å; C166-F168 PolarHBondContact O-N 3.17Å
169R92.3Very high87.2Confident79 Ų7960 Ų6030%0.29835%0.346SS..SBendtrans-63.3130.1174.3173.8170.8169.9-170.9-2.4109.3Y145 E164 C166 E167 Y171 H289Y145-R169 HydrophobicContact CD2-CB 4.13Å; Y145-R169 HydrophobicContact CE1-CB 4.23Å; Y145-R169 HydrophobicContact CE1-CG 4.12Å; Y145-R169 HydrophobicContact CE2-CB 3.73Å; Y145-R169 HydrophobicContact CE2-CG 4.04Å; Y145-R169 WeakPolarHBondContact OH-CG 3.47Å; E164-R169 PolarHBondContact O-NH1 3Å; C166-R169 WeakPolarHBondContact O-CB 3.31Å; C166-R169 PolarHBondContact O-N 3.1Å; C166-R169 VanDerWaalsContact O-N 3.14Å; E167-R169 VanDerWaalsContact C-N 3.31Å; R169-Y171 PolarHBondContact O-N 3.4Å; R169-H289 PolarHBondContact O-CE1 3.12Å; R169-H289 PolarHBondContact O-NE2 2.68Å
170P92.7Very high87Confident47 Ų4761.5 Ų61.531%0.30536%0.356SS..PPolyproline II helixtrans-59.4139.3173.1-25.234.7000111.8Y145 A183 G184Y145-P170 VanDerWaalsContact CE1-CD 3.45Å; P170-A183 HydrophobicContact CB-CB 4.49Å; P170-G184 CarbonylContact C-O 3.57Å
171Y92Very high86.9Confident17 Ų1768.7 Ų68.77%0.06738%0.378CS..EExtended strand (participates in β ladder)trans-73.1131.7172.4-69.8-97.1000109.3R169 W182 A183 G184 L186 V189 I288 H289R169-Y171 PolarHBondContact O-N 3.4Å; Y171-W182 WeakPolarHBondContact O-CZ3 3.25Å; Y171-A183 CarbonylContact O-C 3.46Å; Y171-A183 WeakPolarHBondContact O-CA 3.47Å; Y171-G184 PolarHBondContact N-O 3.37Å; Y171-G184 PolarHBondContact O-N 3.3Å; Y171-L186 HydrophobicContact CD1-CD1 4.32Å; Y171-L186 HydrophobicContact CD2-CB 3.91Å; Y171-L186 HydrophobicContact CD2-CD1 4.44Å; Y171-L186 HydrophobicContact CE1-CD1 3.93Å; Y171-L186 HydrophobicContact CE2-CB 3.55Å; Y171-L186 HydrophobicContact CE2-CD1 4.12Å; Y171-L186 HydrophobicContact CE2-CG 4.29Å; Y171-V189 HydrophobicContact CG-CG2 4.13Å; Y171-I288 HydrophobicContact CD1-CD1 3.33Å; Y171-I288 HydrophobicContact CD1-CG1 3.5Å; Y171-I288 HydrophobicContact CE1-CD1 3.78Å; Y171-I288 HydrophobicContact CE1-CG1 3.59Å; Y171-I288 HydrophobicContact CG-CD1 4.22Å; Y171-H289 AromaticContact CD1-CE1 3.39Å; Y171-H289 WeakPolarHBondContact CD1-CE1 3.18Å; Y171-H289 AromaticContact CD1-ND1 3.09Å; Y171-H289 WeakPolarHBondContact CD1-ND1 3.43Å; Y171-H289 AromaticContact CD2-CE1 3.41Å; Y171-H289 VanDerWaalsContact CD2-CE1 3.41Å; Y171-H289 WeakPolarHBondContact CD2-CE1 3.35Å; Y171-H289 HydrophobicContact CE1-CB 4.37Å; Y171-H289 AromaticContact CE1-CE1 3.22Å; Y171-H289 WeakPolarHBondContact CE1-CE1 3.25Å; Y171-H289 AromaticContact CE1-CG 3.55Å; Y171-H289 AromaticContact CE1-ND1 3Å; Y171-H289 WeakPolarHBondContact CE1-ND1 3.32Å; Y171-H289 AromaticContact CE1-NE2 3.85Å; Y171-H289 AromaticContact CE2-CE1 3.17Å; Y171-H289 WeakPolarHBondContact CE2-CE1 3.21Å; Y171-H289 AromaticContact CE2-ND1 3.89Å; Y171-H289 AromaticContact CE2-NE2 3.63Å; Y171-H289 AromaticContact CG-CE1 3.5Å; Y171-H289 AromaticContact CG-ND1 3.63Å; Y171-H289 AromaticContact CZ-CD2 3.89Å; Y171-H289 AromaticContact CZ-CE1 3.09Å; Y171-H289 AromaticContact CZ-CG 3.89Å; Y171-H289 AromaticContact CZ-ND1 3.42Å; Y171-H289 AromaticContact CZ-NE2 3.4Å; Y171-H289 PolarHBondContact OH-NE2 2.77Å
172T92Very high87Confident81 Ų8166.8 Ų66.850%0.49736%0.363SS..EExtended strand (participates in β ladder)trans-85.6159.116854.10000109.9P174 W182T172-P174 WeakPolarHBondContact O-CD 3.18Å; T172-W182 WeakPolarHBondContact CA-O 3.21Å
173C92.6Very high87Confident16 Ų1668 Ų6811%0.10838%0.378CS..PPolyproline II helixtrans-51.3123.3172.4-179.50000110.3C175 C180 W182 H192 H197C173-C175 VanDerWaalsContact C-N 3.27Å; C173-C175 PolarHBondContact O-N 3.01Å; C173-C180 HydrophobicContact CB-CB 4Å; C173-W182 HydrophobicContact CB-CB 4.43Å; C173-W182 HydrophobicContact CB-CE3 4.46Å; C173-W182 PolarHBondContact N-O 3.49Å; C173-H192 PolarHBondContact SG-NE2 3.15Å; C173-H197 PolarHBondContact SG-NE2 3.16Å
174P90.8Very high87Confident19 Ų1967.5 Ų67.512%0.12338%0.379CS..  trans-81.5-1.7-177.431.2-34.8000113.9T172 P176 V189 L193 M235 I288T172-P174 WeakPolarHBondContact O-CD 3.18Å; P174-P176 VanDerWaalsContact O-CD 3.31Å; P174-P176 WeakPolarHBondContact O-CD 3.5Å; P174-V189 HydrophobicContact CG-CG1 4.17Å; P174-L193 HydrophobicContact CG-CD1 4.11Å; P174-L193 HydrophobicContact CG-CD2 4.2Å; P174-M235 HydrophobicContact CB-CE 4.12Å; P174-M235 HydrophobicContact CB-SD 3.87Å; P174-M235 HydrophobicContact CG-CE 3.66Å; P174-M235 HydrophobicContact CG-SD 4.11Å; P174-I288 HydrophobicContact CB-CB 4.14Å; P174-I288 HydrophobicContact CB-CG2 3.79Å; P174-I288 HydrophobicContact CG-CG2 4.33Å
175C85.4Confident87.1Confident25 Ų2564.9 Ų64.917%0.16937%0.373CS..  trans-69.1121.3-177.1-169.90000111.4C173 A178C173-C175 VanDerWaalsContact C-N 3.27Å; C173-C175 PolarHBondContact O-N 3.01Å; C175-A178 HydrophobicContact CB-CB 4.05Å
176P75Confident87.3Confident22 Ų2261.9 Ų61.914%0.14336%0.357CS..THydrogen-bonded Turntrans-55.4149.4169.7-22.431.7000112.4P174 A178 D222 V224 V237P174-P176 VanDerWaalsContact O-CD 3.31Å; P174-P176 WeakPolarHBondContact O-CD 3.5Å; P176-A178 PolarHBondContact O-N 3.37Å; P176-D222 HydrophobicContact CB-CB 3.96Å; P176-D222 WeakPolarHBondContact CB-OD2 3.44Å; P176-V224 HydrophobicContact CG-CG2 3.85Å; P176-V237 HydrophobicContact CG-CB 4.46Å; P176-V237 HydrophobicContact CG-CG1 3.63Å; P176-V237 HydrophobicContact CG-CG2 3.94Å
177G66.8Low87.4Confident77 Ų7768.6 Ų68.679%0.79439%0.388SS*.THydrogen-bonded Turntrans64.3-3.3173.500000116.6
178A61.8Low87.7Confident41 Ų4162.8 Ų62.834%0.33937%0.366SS..  trans-81.3133.3-173.600000111.9C175 P176 C180C175-A178 HydrophobicContact CB-CB 4.05Å; P176-A178 PolarHBondContact O-N 3.37Å; A178-C180 HydrophobicContact CB-CB 3.82Å; A178-C180 PolarHBondContact O-N 3.06Å
179T76.1Confident87.9Confident143 Ų14358.6 Ų58.688%0.87735%0.348SS*.  trans-67.211.9163.353.70000113K181T179-K181 PolarHBondContact O-N 3.31Å
180C89.8Confident88Confident37 Ų3756 Ų5625%0.2534%0.339CS..  trans-71.3114.8-177.1-171.40000110.2C173 A178 W182 H192C173-C180 HydrophobicContact CB-CB 4Å; A178-C180 HydrophobicContact CB-CB 3.82Å; A178-C180 PolarHBondContact O-N 3.06Å; C180-W182 VanDerWaalsContact C-N 3.31Å; C180-W182 VanDerWaalsContact SG-CB 3.57Å; C180-H192 PolarHBondContact SG-CE1 3.17Å
181K91.3Very high88.2Confident203 Ų20356.6 Ų56.688%0.88334%0.344SS*.  trans-95.916.6177.5-61.1-177-179.7178.70112.6T179 A183T179-K181 PolarHBondContact O-N 3.31Å; K181-A183 PolarHBondContact O-N 3.09Å
182W94.5Very high88.3Confident64 Ų6456.4 Ų56.424%0.24234%0.343CS..  trans-64.8135.7179.8-179.590.2000110.1Y171 T172 C173 C180 A188 V189 H192Y171-W182 WeakPolarHBondContact O-CZ3 3.25Å; T172-W182 WeakPolarHBondContact CA-O 3.21Å; C173-W182 HydrophobicContact CB-CB 4.43Å; C173-W182 HydrophobicContact CB-CE3 4.46Å; C173-W182 PolarHBondContact N-O 3.49Å; C180-W182 VanDerWaalsContact C-N 3.31Å; C180-W182 VanDerWaalsContact SG-CB 3.57Å; W182-A188 HydrophobicContact CH2-CB 4.18Å; W182-A188 HydrophobicContact CZ2-CB 3.7Å; W182-V189 HydrophobicContact CH2-CB 4.27Å; W182-V189 HydrophobicContact CH2-CG2 3.73Å; W182-V189 HydrophobicContact CZ3-CB 4.45Å; W182-V189 HydrophobicContact CZ3-CG2 3.86Å; W182-H192 AromaticContact CD1-CG 3.98Å; W182-H192 AromaticContact CD1-ND1 3.76Å; W182-H192 HydrophobicContact CD2-CB 3.95Å; W182-H192 AromaticContact CD2-CD2 3.52Å; W182-H192 AromaticContact CD2-CG 3.49Å; W182-H192 VanDerWaalsContact CD2-CG 3.49Å; W182-H192 AromaticContact CD2-ND1 3.95Å; W182-H192 AromaticContact CD2-NE2 3.97Å; W182-H192 AromaticContact CE2-CG 3.77Å; W182-H192 HydrophobicContact CE3-CB 4.38Å; W182-H192 AromaticContact CE3-CD2 3.46Å; W182-H192 VanDerWaalsContact CE3-CD2 3.46Å; W182-H192 AromaticContact CE3-CG 3.91Å; W182-H192 HydrophobicContact CG-CB 4.42Å; W182-H192 AromaticContact CG-CD2 3.84Å; W182-H192 AromaticContact CG-CE1 3.69Å; W182-H192 AromaticContact CG-CG 3.67Å; W182-H192 AromaticContact CG-ND1 3.59Å; W182-H192 AromaticContact CG-NE2 3.85Å; W182-H192 HydrophobicContact CH2-CB 4.37Å; W182-H192 HydrophobicContact CZ2-CB 3.91Å
183A93.2Very high88.4Confident58 Ų5852.8 Ų52.848%0.47932%0.321SS..EExtended strand (participates in β ladder)trans-142142.4170.500000109.5P170 Y171 K181P170-A183 HydrophobicContact CB-CB 4.49Å; Y171-A183 CarbonylContact O-C 3.46Å; Y171-A183 WeakPolarHBondContact O-CA 3.47Å; K181-A183 PolarHBondContact O-N 3.09Å
184G93.3Very high88.3Confident11 Ų1158 Ų5811%0.11335%0.345CS..EExtended strand (participates in β ladder)trans-173.9-176.3-17700000113.1P170 Y171P170-G184 CarbonylContact C-O 3.57Å; Y171-G184 PolarHBondContact N-O 3.37Å; Y171-G184 PolarHBondContact O-N 3.3Å
185P92.5Very high88.4Confident68 Ų6863.7 Ų63.744%0.44237%0.37SS..  trans-73.3164.7175.635.1-38.1000111.4E187 A188P185-E187 VanDerWaalsContact C-N 3.35Å; P185-E187 WeakPolarHBondContact CB-OE1 3.34Å; P185-E187 HydrophobicContact CG-CG 4.45Å; P185-E187 WeakPolarHBondContact CG-OE1 3.33Å; P185-E187 PolarHBondContact O-N 3.22Å; P185-A188 HydrophobicContact CG-CB 4.04Å; P185-A188 PolarHBondContact O-N 3.4Å; P185-A188 VanDerWaalsContact O-N 3.09Å
186L91.9Very high88.7Confident47 Ų4766.7 Ų66.725%0.24639%0.387CS..G310 helixtrans-57.8-44.7-172.2178.158.3000112.5Y171 A188 V189 I257 I288Y171-L186 HydrophobicContact CD1-CD1 4.32Å; Y171-L186 HydrophobicContact CD2-CB 3.91Å; Y171-L186 HydrophobicContact CD2-CD1 4.44Å; Y171-L186 HydrophobicContact CE1-CD1 3.93Å; Y171-L186 HydrophobicContact CE2-CB 3.55Å; Y171-L186 HydrophobicContact CE2-CD1 4.12Å; Y171-L186 HydrophobicContact CE2-CG 4.29Å; L186-A188 PolarHBondContact O-N 3.36Å; L186-A188 VanDerWaalsContact O-N 3.13Å; L186-V189 HydrophobicContact CD1-CG2 4.41Å; L186-V189 WeakPolarHBondContact O-CB 3.45Å; L186-V189 VanDerWaalsContact O-CG2 3.32Å; L186-V189 WeakPolarHBondContact O-CG2 3.31Å; L186-V189 PolarHBondContact O-N 3.43Å; L186-I257 HydrophobicContact CD1-CG2 3.99Å; L186-I288 HydrophobicContact CD1-CD1 4.17Å
187E92.6Very high89.5Confident145 Ų14567 Ų6768%0.67839%0.387SS*.G310 helixtrans-62-21.4-178.964.7-81.4-176.500113.2P185 P191P185-E187 VanDerWaalsContact C-N 3.35Å; P185-E187 WeakPolarHBondContact CB-OE1 3.34Å; P185-E187 HydrophobicContact CG-CG 4.45Å; P185-E187 WeakPolarHBondContact CG-OE1 3.33Å; P185-E187 PolarHBondContact O-N 3.22Å; E187-P191 WeakPolarHBondContact O-CD 3.43Å; E187-P191 WeakPolarHBondContact O-CG 3.31Å
188A95.1Very high90.5Very high31 Ų3171.7 Ų71.726%0.25639%0.385SS..G310 helixtrans-89.4-9.7178.200000113.2W182 P185 L186 H192W182-A188 HydrophobicContact CH2-CB 4.18Å; W182-A188 HydrophobicContact CZ2-CB 3.7Å; P185-A188 HydrophobicContact CG-CB 4.04Å; P185-A188 PolarHBondContact O-N 3.4Å; P185-A188 VanDerWaalsContact O-N 3.09Å; L186-A188 PolarHBondContact O-N 3.36Å; L186-A188 VanDerWaalsContact O-N 3.13Å; A188-H192 VanDerWaalsContact O-CB 3.25Å; A188-H192 WeakPolarHBondContact O-CB 3.42Å; A188-H192 PolarHBondContact O-N 2.77Å
189V95.2Very high91.7Very high0 Ų074.7 Ų74.70%040%0.404CS..Hα-helixtrans-64.7-53.1-177.7178.10000111.5Y171 P174 W182 L186 H192 L193 I257 I288Y171-V189 HydrophobicContact CG-CG2 4.13Å; P174-V189 HydrophobicContact CG-CG1 4.17Å; W182-V189 HydrophobicContact CH2-CB 4.27Å; W182-V189 HydrophobicContact CH2-CG2 3.73Å; W182-V189 HydrophobicContact CZ3-CB 4.45Å; W182-V189 HydrophobicContact CZ3-CG2 3.86Å; L186-V189 HydrophobicContact CD1-CG2 4.41Å; L186-V189 WeakPolarHBondContact O-CB 3.45Å; L186-V189 VanDerWaalsContact O-CG2 3.32Å; L186-V189 WeakPolarHBondContact O-CG2 3.31Å; L186-V189 PolarHBondContact O-N 3.43Å; V189-H192 WeakPolarHBondContact O-CB 3.39Å; V189-H192 PolarHBondContact O-N 2.61Å; V189-L193 HydrophobicContact CG1-CD1 4.16Å; V189-L193 HydrophobicContact CG1-CG 4.46Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 2.85Å; V189-I257 HydrophobicContact CB-CG2 4.16Å; V189-I257 HydrophobicContact CG1-CD1 4.46Å; V189-I257 HydrophobicContact CG1-CG2 3.97Å; V189-I288 HydrophobicContact CB-CD1 4.47Å; V189-I288 HydrophobicContact CG1-CD1 3.92Å; V189-I288 HydrophobicContact CG2-CD1 4.07Å
190M94.5Very high92.3Very high24 Ų2469 Ų6912%0.11837%0.368CS..Hα-helixtrans-62.7-47.5-179.9-79.5-58.9-64.400112.9H192 L193 M194 M226 H233 I257M190-H192 VanDerWaalsContact C-N 3.28Å; M190-H192 PolarHBondContact O-N 3.03Å; M190-L193 PolarHBondContact O-N 3.08Å; M190-L193 HydrophobicContact SD-CD1 4.19Å; M190-M194 WeakPolarHBondContact O-CG 3.39Å; M190-M194 PolarHBondContact O-N 3.01Å; M190-M226 HydrophobicContact SD-CE 4.07Å; M190-H233 HydrophobicContact CE-CB 4.22Å; M190-H233 HydrophobicContact CG-CB 4.37Å; M190-H233 HydrophobicContact SD-CB 3.78Å; M190-I257 HydrophobicContact CG-CD1 4.15Å; M190-I257 HydrophobicContact CG-CG2 4.2Å; M190-I257 HydrophobicContact SD-CD1 3.26Å; M190-I257 WeakPolarHBondContact SD-CD1 3.4Å
191P95.3Very high92.5Very high60 Ų6070 Ų7039%0.3937%0.373SS..Hα-helixtrans-53-45.3170.5-28.134.8000112.4E187 L193 M194 H195E187-P191 WeakPolarHBondContact O-CD 3.43Å; E187-P191 WeakPolarHBondContact O-CG 3.31Å; P191-L193 PolarHBondContact O-N 2.69Å; P191-M194 PolarHBondContact O-N 2.7Å; P191-H195 PolarHBondContact O-N 3.14Å; P191-H195 VanDerWaalsContact O-N 3.09Å; P191-H195 PolarHBondContact O-ND1 3.05Å
192H95.2Very high92.6Very high12 Ų1263.6 Ų63.66%0.05635%0.351CS..Hα-helixtrans-58.5-48.9177162.557.2000112.3C173 C180 W182 A188 V189 M190 M194 H195 T196 H197C173-H192 PolarHBondContact SG-NE2 3.15Å; C180-H192 PolarHBondContact SG-CE1 3.17Å; W182-H192 AromaticContact CD1-CG 3.98Å; W182-H192 AromaticContact CD1-ND1 3.76Å; W182-H192 HydrophobicContact CD2-CB 3.95Å; W182-H192 AromaticContact CD2-CD2 3.52Å; W182-H192 AromaticContact CD2-CG 3.49Å; W182-H192 VanDerWaalsContact CD2-CG 3.49Å; W182-H192 AromaticContact CD2-ND1 3.95Å; W182-H192 AromaticContact CD2-NE2 3.97Å; W182-H192 AromaticContact CE2-CG 3.77Å; W182-H192 HydrophobicContact CE3-CB 4.38Å; W182-H192 AromaticContact CE3-CD2 3.46Å; W182-H192 VanDerWaalsContact CE3-CD2 3.46Å; W182-H192 AromaticContact CE3-CG 3.91Å; W182-H192 HydrophobicContact CG-CB 4.42Å; W182-H192 AromaticContact CG-CD2 3.84Å; W182-H192 AromaticContact CG-CE1 3.69Å; W182-H192 AromaticContact CG-CG 3.67Å; W182-H192 AromaticContact CG-ND1 3.59Å; W182-H192 AromaticContact CG-NE2 3.85Å; W182-H192 HydrophobicContact CH2-CB 4.37Å; W182-H192 HydrophobicContact CZ2-CB 3.91Å; A188-H192 VanDerWaalsContact O-CB 3.25Å; A188-H192 WeakPolarHBondContact O-CB 3.42Å; A188-H192 PolarHBondContact O-N 2.77Å; V189-H192 WeakPolarHBondContact O-CB 3.39Å; V189-H192 PolarHBondContact O-N 2.61Å; M190-H192 VanDerWaalsContact C-N 3.28Å; M190-H192 PolarHBondContact O-N 3.03Å; H192-M194 PolarHBondContact O-N 3.42Å; H192-H195 PolarHBondContact O-N 2.96Å; H192-T196 PolarHBondContact ND1-OG1 3.17Å; H192-T196 VanDerWaalsContact O-CB 3.32Å; H192-T196 WeakPolarHBondContact O-CB 3.44Å; H192-T196 PolarHBondContact O-N 2.88Å; H192-T196 PolarHBondContact O-OG1 2.79Å; H192-H197 AromaticContact CE1-CD2 3.82Å; H192-H197 AromaticContact CE1-NE2 3.61Å; H192-H197 AromaticContact NE2-CD2 3.71Å; H192-H197 AromaticContact NE2-NE2 3.47Å; H192-H197 PolarHBondContact NE2-NE2 2.82Å
193L93.4Very high92.7Very high6 Ų663.4 Ų63.43%0.03135%0.354CS..Hα-helixtrans-59.5-45.6179.3-68.6175.8000111.8P174 V189 M190 P191 H195 H197 I200 M226 M235 I257P174-L193 HydrophobicContact CG-CD1 4.11Å; P174-L193 HydrophobicContact CG-CD2 4.2Å; V189-L193 HydrophobicContact CG1-CD1 4.16Å; V189-L193 HydrophobicContact CG1-CG 4.46Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 2.85Å; M190-L193 PolarHBondContact O-N 3.08Å; M190-L193 HydrophobicContact SD-CD1 4.19Å; P191-L193 PolarHBondContact O-N 2.69Å; L193-H195 VanDerWaalsContact C-N 3.34Å; L193-H195 PolarHBondContact O-N 3.49Å; L193-H197 CarbonylContact O-C 3.41Å; L193-H197 VanDerWaalsContact O-C 3.31Å; L193-H197 VanDerWaalsContact O-CA 3.28Å; L193-H197 WeakPolarHBondContact O-CA 3.46Å; L193-H197 WeakPolarHBondContact O-CB 3.48Å; L193-H197 PolarHBondContact O-N 3.15Å; L193-I200 HydrophobicContact CD2-CD1 4.29Å; L193-M226 HydrophobicContact CD1-SD 4.38Å; L193-M235 HydrophobicContact CD1-CE 3.73Å; L193-M235 HydrophobicContact CD2-CE 4.19Å; L193-I257 HydrophobicContact CD1-CD1 3.75Å
194M91.6Very high93Very high126 Ų12668.9 Ų68.962%0.62137%0.37SS*.Hα-helixtrans-65-35.4-179.6-67.3174.96900113.3M190 P191 H192M190-M194 WeakPolarHBondContact O-CG 3.39Å; M190-M194 PolarHBondContact O-N 3.01Å; P191-M194 PolarHBondContact O-N 2.7Å; H192-M194 PolarHBondContact O-N 3.42Å
195H91.9Very high93.2Very high138 Ų13869.9 Ų69.964%0.63938%0.38SS*.Hα-helixtrans-86.9-40.6-176.9-69.195.2000112.9P191 H192 L193 K198P191-H195 PolarHBondContact O-N 3.14Å; P191-H195 VanDerWaalsContact O-N 3.09Å; P191-H195 PolarHBondContact O-ND1 3.05Å; H192-H195 PolarHBondContact O-N 2.96Å; L193-H195 VanDerWaalsContact C-N 3.34Å; L193-H195 PolarHBondContact O-N 3.49Å; H195-K198 WeakPolarHBondContact O-CE 3.26Å
196T92.4Very high93.4Very high88 Ų8871.7 Ų71.754%0.5438%0.382SS..Hα-helixtrans-93.5-33.4-173.7-51.80000112.4H192H192-T196 PolarHBondContact ND1-OG1 3.17Å; H192-T196 VanDerWaalsContact O-CB 3.32Å; H192-T196 WeakPolarHBondContact O-CB 3.44Å; H192-T196 PolarHBondContact O-N 2.88Å; H192-T196 PolarHBondContact O-OG1 2.79Å
197H91.5Very high93.7Very high27 Ų2774.4 Ų74.413%0.12540%0.397CS..  trans-115.755.6-174.5-60-88.5000111.9C173 H192 L193 S199 I200C173-H197 PolarHBondContact SG-NE2 3.16Å; H192-H197 AromaticContact CE1-CD2 3.82Å; H192-H197 AromaticContact CE1-NE2 3.61Å; H192-H197 AromaticContact NE2-CD2 3.71Å; H192-H197 AromaticContact NE2-NE2 3.47Å; H192-H197 PolarHBondContact NE2-NE2 2.82Å; L193-H197 CarbonylContact O-C 3.41Å; L193-H197 VanDerWaalsContact O-C 3.31Å; L193-H197 VanDerWaalsContact O-CA 3.28Å; L193-H197 WeakPolarHBondContact O-CA 3.46Å; L193-H197 WeakPolarHBondContact O-CB 3.48Å; L193-H197 PolarHBondContact O-N 3.15Å; H197-S199 PolarHBondContact O-N 3.21Å; H197-I200 HydrophobicContact CB-CD1 3.53Å; H197-I200 HydrophobicContact CB-CG1 3.94Å; H197-I200 WeakPolarHBondContact O-CG1 3.48Å; H197-I200 PolarHBondContact O-N 2.94Å
198K86.9Confident94Very high177 Ų17768.3 Ų68.377%0.7737%0.369SS*.THydrogen-bonded Turntrans-58.7-17.7-174.3-62-177.9-179-179.70115.3H195 I200H195-K198 WeakPolarHBondContact O-CE 3.26Å; K198-I200 VanDerWaalsContact C-N 3.28Å
199S86.7Confident94.1Very high103 Ų10370.5 Ų70.572%0.7238%0.379SS*.THydrogen-bonded Turntrans-75.9-16.4176.854.30000113.2H197 T201H197-S199 PolarHBondContact O-N 3.21Å; S199-T201 PolarHBondContact O-N 2.98Å
200I89.9Confident94.2Very high25 Ų2570.9 Ų70.913%0.12838%0.381CS..  trans-76.3111.1179.9-55.7177.5000108.6L193 H197 K198 V224 M226L193-I200 HydrophobicContact CD2-CD1 4.29Å; H197-I200 HydrophobicContact CB-CD1 3.53Å; H197-I200 HydrophobicContact CB-CG1 3.94Å; H197-I200 WeakPolarHBondContact O-CG1 3.48Å; H197-I200 PolarHBondContact O-N 2.94Å; K198-I200 VanDerWaalsContact C-N 3.28Å; I200-V224 HydrophobicContact CD1-CG1 4.26Å; I200-V224 HydrophobicContact CG2-CG1 4.28Å; I200-M226 HydrophobicContact CG2-CB 4.42Å; I200-M226 HydrophobicContact CG2-CG 3.62Å
201T92.6Very high94.3Very high57 Ų5773.9 Ų73.935%0.3540%0.397SS..  trans-74.3140.5177.4-59.90000109.9S199 L203 M226S199-T201 PolarHBondContact O-N 2.98Å; T201-L203 HydrophobicContact CG2-CD2 4.2Å; T201-M226 PolarHBondContact O-N 3.07Å
202T94.9Very high94.3Very high68 Ų6871 Ų7142%0.41738%0.378SS..EExtended strand (participates in β ladder)trans-112.5123.8173.7-560000110.1M226T202-M226 CarbonylContact C-O 3.55Å; T202-M226 VanDerWaalsContact CA-O 3.31Å; T202-M226 WeakPolarHBondContact CA-O 3.41Å; T202-M226 HydrophobicContact CG2-CB 4Å; T202-M226 WeakPolarHBondContact OG1-CB 3.27Å
203L96.9Very high94.3Very high60 Ų6072.1 Ų72.131%0.31439%0.386SS..EExtended strand (participates in β ladder)trans-106.1145.9172.9-61.7-174.4000110.5T201 I208 M225 M226 Q227 S228T201-L203 HydrophobicContact CG2-CD2 4.2Å; L203-I208 HydrophobicContact CB-CD1 4.05Å; L203-I208 HydrophobicContact CB-CG2 4.31Å; L203-I208 HydrophobicContact CD1-CB 4.47Å; L203-I208 HydrophobicContact CD1-CD1 4.14Å; L203-M225 HydrophobicContact CD1-CE 4.33Å; L203-M225 HydrophobicContact CD1-SD 3.54Å; L203-M225 VanDerWaalsContact CD1-SD 3.54Å; L203-M225 HydrophobicContact CG-SD 3.94Å; L203-M226 PolarHBondContact N-O 3.05Å; L203-Q227 CarbonylContact O-C 3.28Å; L203-Q227 WeakPolarHBondContact O-CA 3.25Å; L203-S228 PolarHBondContact O-N 3.08Å
204Q97.8Very high94.3Very high174 Ų17475.8 Ų75.881%0.81341%0.406SS*.EExtended strand (participates in β ladder)trans-102.3144.1176.3-66.9-172.7-1600110.3
205G97.8Very high94.4Very high31 Ų3169.9 Ų69.932%0.3238%0.376SS..SBendtrans121153177.900000112.4Q227 S228G205-Q227 WeakPolarHBondContact O-CG 3.39Å; G205-Q227 PolarHBondContact O-NE2 2.96Å; G205-S228 PolarHBondContact N-O 2.99Å
206E97.4Very high94.3Very high107 Ų10766.6 Ų66.650%0.537%0.369SS..SBendtrans-78.8-23.2177.565.8-171.7-149.800112.6Q227 C229 F230 T323 I324E206-Q227 PolarHBondContact O-NE2 3.49Å; E206-Q227 VanDerWaalsContact O-NE2 3.09Å; E206-C229 HydrophobicContact CB-CB 4.18Å; E206-F230 HydrophobicContact CB-CE2 3.88Å; E206-F230 HydrophobicContact CB-CZ 3.91Å; E206-F230 WeakPolarHBondContact OE2-CZ 3.45Å; E206-T323 CarbonylContact O-C 3.56Å; E206-T323 VanDerWaalsContact O-CA 3.26Å; E206-T323 WeakPolarHBondContact O-CA 3.37Å; E206-I324 PolarHBondContact O-N 3.04Å
207D97.9Very high94.2Very high104 Ų10466.2 Ų66.256%0.55636%0.363SS*.EExtended strand (participates in β ladder)trans-124.1115.1176.6-165.226.7000110V322 T323D207-V322 WeakPolarHBondContact CA-O 3.31Å; D207-T323 HydrophobicContact CB-CG2 4.41Å; D207-T323 PolarHBondContact OD1-OG1 3.12Å
208I98.3Very high93.9Very high16 Ų1670.4 Ų70.48%0.08239%0.393CS..EExtended strand (participates in β ladder)trans-138.4169.3-175.966.3164.8000111.2L203 Q227 L236 V322L203-I208 HydrophobicContact CB-CD1 4.05Å; L203-I208 HydrophobicContact CB-CG2 4.31Å; L203-I208 HydrophobicContact CD1-CB 4.47Å; L203-I208 HydrophobicContact CD1-CD1 4.14Å; I208-Q227 HydrophobicContact CD1-CB 3.74Å; I208-Q227 HydrophobicContact CD1-CG 3.64Å; I208-Q227 HydrophobicContact CG1-CG 4.19Å; I208-L236 HydrophobicContact CD1-CD1 3.94Å; I208-V322 HydrophobicContact CG1-CB 4.09Å; I208-V322 PolarHBondContact N-O 3.45Å; I208-V322 PolarHBondContact O-N 3.14Å
209V97.8Very high93.8Very high78 Ų7863.2 Ų63.247%0.47337%0.369SS..EExtended strand (participates in β ladder)trans-111.5117.2169.9-173.80000109.4
210F97.5Very high93.7Very high7 Ų762.3 Ų62.33%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-86.9110.1169.5172.9-151.1000109.3W223 M225 L236 L238 I320 V322F210-W223 HydrophobicContact CE2-CB 4.12Å; F210-W223 HydrophobicContact CZ-CB 3.62Å; F210-M225 HydrophobicContact CB-SD 4.44Å; F210-M225 HydrophobicContact CD2-CB 3.83Å; F210-M225 HydrophobicContact CD2-CE 3.96Å; F210-M225 HydrophobicContact CD2-SD 3.91Å; F210-M225 HydrophobicContact CE2-CB 3.87Å; F210-M225 HydrophobicContact CE2-CE 4.47Å; F210-L236 HydrophobicContact CB-CD1 4Å; F210-L236 HydrophobicContact CD1-CB 4.12Å; F210-L236 HydrophobicContact CD1-CD1 4.41Å; F210-L236 HydrophobicContact CE1-CB 4.25Å; F210-L236 HydrophobicContact CG-CD1 4.27Å; F210-L238 HydrophobicContact CE1-CB 3.82Å; F210-L238 HydrophobicContact CZ-CB 4.15Å; F210-I320 HydrophobicContact CB-CB 4.37Å; F210-I320 HydrophobicContact CD1-CD1 4.21Å; F210-I320 PolarHBondContact N-O 3.15Å; F210-I320 PolarHBondContact O-N 3.37Å; F210-V322 HydrophobicContact CB-CG2 3.96Å
211L96.5Very high93.7Very high88 Ų8862.7 Ų62.746%0.46137%0.371SS..EExtended strand (participates in β ladder)trans-96.2110.9179.7-170.468.3000110.7T213 N317L211-T213 HydrophobicContact CD2-CG2 4.33Å; L211-T213 HydrophobicContact CG-CG2 4.37Å; L211-N317 HydrophobicContact CD1-CB 3.84Å; L211-N317 HydrophobicContact CG-CB 4.37Å
212A96.1Very high93.6Very high0 Ų062.7 Ų62.70%037%0.369CS..EExtended strand (participates in β ladder)trans-90.1111.1169.900000109.6I215 W223 L238 N317 L318A212-I215 HydrophobicContact CB-CG2 4.05Å; A212-I215 WeakPolarHBondContact O-CG2 3.38Å; A212-W223 HydrophobicContact CB-CB 4.35Å; A212-W223 HydrophobicContact CB-CD2 4.07Å; A212-W223 HydrophobicContact CB-CG 3.85Å; A212-L238 HydrophobicContact CB-CD2 3.47Å; A212-L238 VanDerWaalsContact CB-CD2 3.47Å; A212-N317 CarbonylContact O-C 3.56Å; A212-N317 WeakPolarHBondContact O-CA 3.49Å; A212-L318 HydrophobicContact CB-CB 4.39Å; A212-L318 PolarHBondContact N-O 3.17Å; A212-L318 PolarHBondContact O-N 3.16Å
213T94.3Very high93.5Very high34 Ų3460.7 Ų60.721%0.20935%0.354CS..  trans-85.7145.2-178.556.50000112L211 I215 W223 N317L211-T213 HydrophobicContact CD2-CG2 4.33Å; L211-T213 HydrophobicContact CG-CG2 4.37Å; T213-I215 PolarHBondContact O-N 2.79Å; T213-W223 WeakPolarHBondContact O-CZ2 3.47Å; T213-W223 PolarHBondContact O-NE1 2.98Å; T213-N317 VanDerWaalsContact CA-OD1 3.24Å; T213-N317 WeakPolarHBondContact CA-OD1 3.08Å; T213-N317 WeakPolarHBondContact CB-OD1 3.24Å
214D93.2Very high93.4Very high84 Ų8459.4 Ų59.445%0.44935%0.349SS..  trans54.150.8175.3-59.8-50000114.3S216 L217 G316 N317D214-S216 PolarHBondContact O-N 3Å; D214-L217 HydrophobicContact CB-CD1 3.92Å; D214-L217 HydrophobicContact CB-CG 3.91Å; D214-L217 WeakPolarHBondContact O-CB 3.48Å; D214-L217 VanDerWaalsContact O-CG 3.29Å; D214-L217 WeakPolarHBondContact O-CG 3.44Å; D214-L217 PolarHBondContact O-N 3.17Å; D214-G316 WeakPolarHBondContact CA-O 3.45Å; D214-G316 PolarHBondContact N-O 2.89Å; D214-N317 PolarHBondContact N-OD1 2.88Å
215I93.6Very high93.3Very high2 Ų252.2 Ų52.21%0.0132%0.315CS..THydrogen-bonded Turntrans-61.2-17.7-177.970.1-175.8000114A212 T213 L217 W223 K240 F250 A309 A313 G316 L318A212-I215 HydrophobicContact CB-CG2 4.05Å; A212-I215 WeakPolarHBondContact O-CG2 3.38Å; T213-I215 PolarHBondContact O-N 2.79Å; I215-L217 VanDerWaalsContact C-N 3.28Å; I215-L217 PolarHBondContact O-N 3.26Å; I215-W223 HydrophobicContact CG2-CZ2 4.45Å; I215-K240 PolarHBondContact O-NZ 2.78Å; I215-F250 HydrophobicContact CB-CE1 4.22Å; I215-F250 HydrophobicContact CB-CZ 4.23Å; I215-A309 HydrophobicContact CD1-CB 4.03Å; I215-A313 HydrophobicContact CD1-CB 3.54Å; I215-G316 PolarHBondContact N-O 2.9Å; I215-L318 HydrophobicContact CD1-CB 4.05Å; I215-L318 HydrophobicContact CG2-CB 3.72Å
216S90.4Very high93.3Very high69 Ų6951 Ų5148%0.48330%0.301SS..THydrogen-bonded Turntrans-80.5-3.3178.7-53.30000113.6D214 H310D214-S216 PolarHBondContact O-N 3Å; S216-H310 PolarHBondContact OG-CE1 3.31Å
217L89.6Confident93.3Very high80 Ų8045.9 Ų45.942%0.41928%0.277SS..  trans-53.6135.4177.9-78170.5000111D214 I215 V221 K240D214-L217 HydrophobicContact CB-CD1 3.92Å; D214-L217 HydrophobicContact CB-CG 3.91Å; D214-L217 WeakPolarHBondContact O-CB 3.48Å; D214-L217 VanDerWaalsContact O-CG 3.29Å; D214-L217 WeakPolarHBondContact O-CG 3.44Å; D214-L217 PolarHBondContact O-N 3.17Å; I215-L217 VanDerWaalsContact C-N 3.28Å; I215-L217 PolarHBondContact O-N 3.26Å; L217-V221 HydrophobicContact CB-CG2 4.13Å; L217-K240 PolarHBondContact O-NZ 2.9Å
218P85.9Confident93.3Very high114 Ų11442.1 Ų42.174%0.7426%0.259SS*.SBendtrans-69.8147.1-177.928.7-34.3000111.3
219G84.5Confident93.3Very high27 Ų2742 Ų4228%0.27826%0.259SS..SBendtrans84.9-167.517800000114.3
220A84.9Confident93.3Very high83 Ų8341.3 Ų41.369%0.68625%0.25SS*.  trans-81.2127.3177.200000110.4K240A220-K240 VanDerWaalsContact CA-O 3.25Å; A220-K240 WeakPolarHBondContact CA-O 3.39Å
221V88.9Confident93.2Very high33 Ų3346.9 Ų46.920%0.229%0.29CS..EExtended strand (participates in β ladder)trans-140.4137.7-176.8-176.90000108.7L217 W223 K240L217-V221 HydrophobicContact CB-CG2 4.13Å; V221-W223 HydrophobicContact CB-CH2 3.63Å; V221-W223 HydrophobicContact CB-CZ2 4.26Å; V221-W223 HydrophobicContact CB-CZ3 3.78Å; V221-W223 HydrophobicContact CG1-CD2 4.26Å; V221-W223 HydrophobicContact CG1-CE3 4.15Å; V221-W223 HydrophobicContact CG1-CH2 3.52Å; V221-W223 HydrophobicContact CG1-CZ2 3.64Å; V221-W223 HydrophobicContact CG1-CZ3 3.79Å; V221-W223 VanDerWaalsContact O-CZ3 3.3Å; V221-W223 WeakPolarHBondContact O-CZ3 3.49Å; V221-K240 PolarHBondContact N-O 3.41Å; V221-K240 WeakPolarHBondContact O-CB 3.41Å; V221-K240 PolarHBondContact O-N 3.48Å
222D91.1Very high93.3Very high58 Ų5844.9 Ų44.931%0.3128%0.278SS..EExtended strand (participates in β ladder)trans-115.1131.6178.7-59.8-37.2000110.2P176 L238 E239P176-D222 HydrophobicContact CB-CB 3.96Å; P176-D222 WeakPolarHBondContact CB-OD2 3.44Å; D222-L238 WeakPolarHBondContact CA-O 3.17Å; D222-E239 VanDerWaalsContact OD1-CG 3.23Å; D222-E239 WeakPolarHBondContact OD1-CG 3.22Å
223W94Very high93.3Very high25 Ų2547.7 Ų47.710%0.09529%0.291CS..EExtended strand (participates in β ladder)trans-109.5134.4168-62.5-102.3000109.1F210 A212 T213 I215 V221 V237 L238 K240 F250F210-W223 HydrophobicContact CE2-CB 4.12Å; F210-W223 HydrophobicContact CZ-CB 3.62Å; A212-W223 HydrophobicContact CB-CB 4.35Å; A212-W223 HydrophobicContact CB-CD2 4.07Å; A212-W223 HydrophobicContact CB-CG 3.85Å; T213-W223 WeakPolarHBondContact O-CZ2 3.47Å; T213-W223 PolarHBondContact O-NE1 2.98Å; I215-W223 HydrophobicContact CG2-CZ2 4.45Å; V221-W223 HydrophobicContact CB-CH2 3.63Å; V221-W223 HydrophobicContact CB-CZ2 4.26Å; V221-W223 HydrophobicContact CB-CZ3 3.78Å; V221-W223 HydrophobicContact CG1-CD2 4.26Å; V221-W223 HydrophobicContact CG1-CE3 4.15Å; V221-W223 HydrophobicContact CG1-CH2 3.52Å; V221-W223 HydrophobicContact CG1-CZ2 3.64Å; V221-W223 HydrophobicContact CG1-CZ3 3.79Å; V221-W223 VanDerWaalsContact O-CZ3 3.3Å; V221-W223 WeakPolarHBondContact O-CZ3 3.49Å; W223-V237 WeakPolarHBondContact O-CA 3.44Å; W223-L238 HydrophobicContact CB-CB 4.27Å; W223-L238 HydrophobicContact CD2-CD2 4.34Å; W223-L238 HydrophobicContact CE3-CB 4.47Å; W223-L238 HydrophobicContact CE3-CD2 3.94Å; W223-L238 HydrophobicContact CE3-CG 4.12Å; W223-L238 HydrophobicContact CZ3-CD2 4.49Å; W223-L238 PolarHBondContact N-O 3.13Å; W223-L238 PolarHBondContact O-N 3.48Å; W223-K240 HydrophobicContact CH2-CD 4.41Å; W223-K240 HydrophobicContact CZ3-CB 3.92Å; W223-F250 HydrophobicContact CH2-CE1 4.44Å; W223-F250 HydrophobicContact CZ3-CE1 4.24Å
224V94.6Very high93.5Very high34 Ų3446 Ų4621%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-134.9133.9-175.6-173.20000109.8P176 I200 M235 L236P176-V224 HydrophobicContact CG-CG2 3.85Å; I200-V224 HydrophobicContact CD1-CG1 4.26Å; I200-V224 HydrophobicContact CG2-CG1 4.28Å; V224-M235 HydrophobicContact CG1-CE 4.29Å; V224-M235 HydrophobicContact CG1-CG 3.91Å; V224-M235 HydrophobicContact CG1-SD 4.08Å; V224-L236 WeakPolarHBondContact CA-O 3.37Å
225M95.5Very high93.7Very high23 Ų2342 Ų4211%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-141.2149.4175-176.8169.9-73.500110.4L203 F210 L236L203-M225 HydrophobicContact CD1-CE 4.33Å; L203-M225 HydrophobicContact CD1-SD 3.54Å; L203-M225 VanDerWaalsContact CD1-SD 3.54Å; L203-M225 HydrophobicContact CG-SD 3.94Å; F210-M225 HydrophobicContact CB-SD 4.44Å; F210-M225 HydrophobicContact CD2-CB 3.83Å; F210-M225 HydrophobicContact CD2-CE 3.96Å; F210-M225 HydrophobicContact CD2-SD 3.91Å; F210-M225 HydrophobicContact CE2-CB 3.87Å; F210-M225 HydrophobicContact CE2-CE 4.47Å; M225-L236 HydrophobicContact CB-CB 4.41Å; M225-L236 HydrophobicContact CB-CD1 4.48Å; M225-L236 PolarHBondContact N-O 2.78Å; M225-L236 PolarHBondContact O-N 3.14Å
226M96.9Very high93.9Very high4 Ų442 Ų422%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-99.9135.5170.6-67.8-53.4-5400110.4M190 L193 I200 T201 T202 L203 H233 F234 M235 I257M190-M226 HydrophobicContact SD-CE 4.07Å; L193-M226 HydrophobicContact CD1-SD 4.38Å; I200-M226 HydrophobicContact CG2-CB 4.42Å; I200-M226 HydrophobicContact CG2-CG 3.62Å; T201-M226 PolarHBondContact O-N 3.07Å; T202-M226 CarbonylContact C-O 3.55Å; T202-M226 VanDerWaalsContact CA-O 3.31Å; T202-M226 WeakPolarHBondContact CA-O 3.41Å; T202-M226 HydrophobicContact CG2-CB 4Å; T202-M226 WeakPolarHBondContact OG1-CB 3.27Å; L203-M226 PolarHBondContact N-O 3.05Å; M226-H233 HydrophobicContact CE-CB 3.75Å; M226-F234 CarbonylContact C-O 3.56Å; M226-F234 WeakPolarHBondContact CA-O 3.25Å; M226-F234 WeakPolarHBondContact CE-O 3.26Å; M226-M235 HydrophobicContact CE-CB 4.22Å; M226-M235 HydrophobicContact SD-CB 3.69Å; M226-M235 HydrophobicContact SD-CE 3.64Å; M226-M235 HydrophobicContact SD-CG 4.04Å; M226-I257 HydrophobicContact CE-CD1 3.29Å; M226-I257 HydrophobicContact CE-CG1 4.16Å; M226-I257 HydrophobicContact SD-CD1 4.14Å
227Q98.1Very high94.1Very high0 Ų038.9 Ų38.90%024%0.237CC..EExtended strand (participates in β ladder)trans-115133.7169.3-178.8175.96.200109.2L203 G205 E206 I208 H233 F234 L236 V322L203-Q227 CarbonylContact O-C 3.28Å; L203-Q227 WeakPolarHBondContact O-CA 3.25Å; G205-Q227 WeakPolarHBondContact O-CG 3.39Å; G205-Q227 PolarHBondContact O-NE2 2.96Å; E206-Q227 PolarHBondContact O-NE2 3.49Å; E206-Q227 VanDerWaalsContact O-NE2 3.09Å; I208-Q227 HydrophobicContact CD1-CB 3.74Å; I208-Q227 HydrophobicContact CD1-CG 3.64Å; I208-Q227 HydrophobicContact CG1-CG 4.19Å; Q227-H233 CarbonylContact O-C 3.55Å; Q227-H233 WeakPolarHBondContact O-CA 3.44Å; Q227-F234 HydrophobicContact CB-CB 4.39Å; Q227-F234 PolarHBondContact N-O 3.2Å; Q227-F234 PolarHBondContact O-N 3.5Å; Q227-L236 HydrophobicContact CB-CD1 4.33Å; Q227-L236 HydrophobicContact CB-CG 4.5Å; Q227-V322 VanDerWaalsContact OE1-CG1 3.26Å
228S98.3Very high94.4Very high25 Ų2535 Ų3518%0.17522%0.217CC..EExtended strand (participates in β ladder)trans-118.7116.5179.1-163.90000110.4L203 G205 H232 H233L203-S228 PolarHBondContact O-N 3.08Å; G205-S228 PolarHBondContact N-O 2.99Å; S228-H232 WeakPolarHBondContact CA-O 3.13Å; S228-H233 PolarHBondContact OG-CE1 3.27Å; S228-H233 PolarHBondContact OG-ND1 3.42Å; S228-H233 VanDerWaalsContact OG-ND1 3.15Å
229C98.2Very high94.8Very high13 Ų1331.4 Ų31.49%0.08819%0.19CC..EExtended strand (participates in β ladder)trans-155.9161.2176.455.50000110.2E206 S231 H232 F234E206-C229 HydrophobicContact CB-CB 4.18Å; C229-S231 PolarHBondContact O-N 3.34Å; C229-H232 PolarHBondContact N-O 3.5Å; C229-H232 VanDerWaalsContact N-O 3.17Å; C229-H232 CarbonylContact O-C 3.6Å; C229-H232 PolarHBondContact O-N 3.14Å; C229-F234 VanDerWaalsContact SG-CE2 3.57Å
230F97.5Very high95.2Very high65 Ų6530.2 Ų30.229%0.28518%0.178SC..THydrogen-bonded Turntrans5033.3-179.5-50.8-69.8000114.7E206 H232 F266 I324 M326E206-F230 HydrophobicContact CB-CE2 3.88Å; E206-F230 HydrophobicContact CB-CZ 3.91Å; E206-F230 WeakPolarHBondContact OE2-CZ 3.45Å; F230-H232 PolarHBondContact O-N 2.79Å; F230-H232 VanDerWaalsContact O-N 3.16Å; F230-H232 PolarHBondContact O-ND1 3.29Å; F230-F266 HydrophobicContact CB-CE1 3.76Å; F230-F266 HydrophobicContact CB-CZ 4.21Å; F230-F266 HydrophobicContact CD2-CD1 4.28Å; F230-F266 AromaticContact CD2-CE1 3.89Å; F230-F266 HydrophobicContact CD2-CE1 3.89Å; F230-F266 AromaticContact CG-CE1 3.97Å; F230-F266 HydrophobicContact CG-CE1 3.97Å; F230-I324 HydrophobicContact CD2-CG2 4.08Å; F230-I324 HydrophobicContact CE2-CB 4.3Å; F230-I324 HydrophobicContact CE2-CG2 3.97Å; F230-I324 WeakPolarHBondContact CE2-O 3.46Å; F230-M326 HydrophobicContact CD1-CG 3.95Å; F230-M326 HydrophobicContact CD1-SD 3.75Å; F230-M326 HydrophobicContact CD2-CG 4.46Å; F230-M326 HydrophobicContact CE1-CG 4.08Å; F230-M326 HydrophobicContact CE1-SD 4.15Å; F230-M326 HydrophobicContact CG-CG 4.16Å; F230-M326 HydrophobicContact CG-SD 4.3Å; F230-M326 HydrophobicContact CZ-CG 4.39Å
231S95.8Very high95.5Very high123 Ų12329 Ų2986%0.8616%0.158SC*.THydrogen-bonded Turntrans5920.4-174.4-55.50000115.1C229C229-S231 PolarHBondContact O-N 3.34Å
232H97.1Very high95.5Very high47 Ų4731.9 Ų31.922%0.21817%0.169CC..EExtended strand (participates in β ladder)trans-123.6163.8175.7-67.580.7000110.7S228 C229 F230 F234 L256 F266S228-H232 WeakPolarHBondContact CA-O 3.13Å; C229-H232 PolarHBondContact N-O 3.5Å; C229-H232 VanDerWaalsContact N-O 3.17Å; C229-H232 CarbonylContact O-C 3.6Å; C229-H232 PolarHBondContact O-N 3.14Å; F230-H232 PolarHBondContact O-N 2.79Å; F230-H232 VanDerWaalsContact O-N 3.16Å; F230-H232 PolarHBondContact O-ND1 3.29Å; H232-F234 HydrophobicContact CB-CE2 3.82Å; H232-F234 HydrophobicContact CB-CZ 4.08Å; H232-L256 HydrophobicContact CB-CD1 3.8Å; H232-F266 AromaticContact CE1-CZ 3.97Å; H232-F266 AromaticContact ND1-CZ 3.66Å
233H97.7Very high94.8Very high58 Ų5834.4 Ų34.427%0.26918%0.177SC..EExtended strand (participates in β ladder)trans-118.3130177.1-60.9-68.5000110M190 M226 Q227 S228 I257M190-H233 HydrophobicContact CE-CB 4.22Å; M190-H233 HydrophobicContact CG-CB 4.37Å; M190-H233 HydrophobicContact SD-CB 3.78Å; M226-H233 HydrophobicContact CE-CB 3.75Å; Q227-H233 CarbonylContact O-C 3.55Å; Q227-H233 WeakPolarHBondContact O-CA 3.44Å; S228-H233 PolarHBondContact OG-CE1 3.27Å; S228-H233 PolarHBondContact OG-ND1 3.42Å; S228-H233 VanDerWaalsContact OG-ND1 3.15Å; H233-I257 HydrophobicContact CB-CB 4.29Å; H233-I257 HydrophobicContact CB-CD1 4.08Å; H233-I257 HydrophobicContact CB-CG1 4.45Å; H233-I257 WeakPolarHBondContact O-CB 3.42Å; H233-I257 PolarHBondContact O-N 3.43Å
234F98.1Very high94.1Very high0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-115.7127.5-179.9-58.5-94.6000108.9M226 Q227 C229 H232 V254 L255 L256 F266 P285 I324M226-F234 CarbonylContact C-O 3.56Å; M226-F234 WeakPolarHBondContact CA-O 3.25Å; M226-F234 WeakPolarHBondContact CE-O 3.26Å; Q227-F234 HydrophobicContact CB-CB 4.39Å; Q227-F234 PolarHBondContact N-O 3.2Å; Q227-F234 PolarHBondContact O-N 3.5Å; C229-F234 VanDerWaalsContact SG-CE2 3.57Å; H232-F234 HydrophobicContact CB-CE2 3.82Å; H232-F234 HydrophobicContact CB-CZ 4.08Å; F234-V254 HydrophobicContact CB-CG1 4.03Å; F234-V254 HydrophobicContact CD1-CG1 4.18Å; F234-L255 CarbonylContact C-O 3.56Å; F234-L255 WeakPolarHBondContact CA-O 3.39Å; F234-L256 HydrophobicContact CD1-CB 4.21Å; F234-L256 HydrophobicContact CD1-CD1 4.02Å; F234-L256 HydrophobicContact CE1-CB 4.17Å; F234-L256 HydrophobicContact CE1-CD1 3.62Å; F234-L256 HydrophobicContact CE1-CG 4.41Å; F234-L256 HydrophobicContact CE2-CD1 4.44Å; F234-L256 HydrophobicContact CZ-CD1 3.84Å; F234-F266 HydrophobicContact CE1-CB 4.32Å; F234-F266 HydrophobicContact CE1-CD2 4.27Å; F234-F266 HydrophobicContact CE1-CG 4.17Å; F234-F266 HydrophobicContact CZ-CB 4.49Å; F234-F266 AromaticContact CZ-CD1 3.99Å; F234-F266 HydrophobicContact CZ-CD1 3.99Å; F234-F266 HydrophobicContact CZ-CD2 4.07Å; F234-F266 HydrophobicContact CZ-CE1 4.2Å; F234-F266 HydrophobicContact CZ-CE2 4.27Å; F234-F266 AromaticContact CZ-CG 3.92Å; F234-F266 HydrophobicContact CZ-CG 3.92Å; F234-F266 HydrophobicContact CZ-CZ 4.33Å; F234-P285 HydrophobicContact CD1-CB 4.33Å; F234-P285 HydrophobicContact CD1-CG 4.44Å; F234-P285 HydrophobicContact CE1-CB 4.43Å; F234-P285 HydrophobicContact CE1-CG 4.05Å; F234-I324 HydrophobicContact CD1-CD1 4.29Å; F234-I324 HydrophobicContact CD2-CG1 4.36Å; F234-I324 HydrophobicContact CD2-CG2 4.48Å; F234-I324 HydrophobicContact CE1-CG2 4.09Å; F234-I324 HydrophobicContact CE2-CG2 3.94Å; F234-I324 HydrophobicContact CG-CD1 4.34Å; F234-I324 HydrophobicContact CG-CG1 4.4Å; F234-I324 HydrophobicContact CZ-CG2 3.72Å
235M97.1Very high93.4Very high0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-93.2119.9174179.6172.5-74.200109.1P174 L193 V224 M226 V237 L255P174-M235 HydrophobicContact CB-CE 4.12Å; P174-M235 HydrophobicContact CB-SD 3.87Å; P174-M235 HydrophobicContact CG-CE 3.66Å; P174-M235 HydrophobicContact CG-SD 4.11Å; L193-M235 HydrophobicContact CD1-CE 3.73Å; L193-M235 HydrophobicContact CD2-CE 4.19Å; V224-M235 HydrophobicContact CG1-CE 4.29Å; V224-M235 HydrophobicContact CG1-CG 3.91Å; V224-M235 HydrophobicContact CG1-SD 4.08Å; M226-M235 HydrophobicContact CE-CB 4.22Å; M226-M235 HydrophobicContact SD-CB 3.69Å; M226-M235 HydrophobicContact SD-CE 3.64Å; M226-M235 HydrophobicContact SD-CG 4.04Å; M235-V237 HydrophobicContact CG-CG2 3.95Å; M235-V237 HydrophobicContact SD-CG2 4.32Å; M235-L255 HydrophobicContact CB-CB 4.31Å; M235-L255 PolarHBondContact N-O 3.49Å; M235-L255 PolarHBondContact O-N 3.4Å
236L97.1Very high92.4Very high2 Ų248.4 Ų48.41%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-93.6126.2174.5-49.9179.6000107.9I208 F210 V224 M225 Q227 V254 V322I208-L236 HydrophobicContact CD1-CD1 3.94Å; F210-L236 HydrophobicContact CB-CD1 4Å; F210-L236 HydrophobicContact CD1-CB 4.12Å; F210-L236 HydrophobicContact CD1-CD1 4.41Å; F210-L236 HydrophobicContact CE1-CB 4.25Å; F210-L236 HydrophobicContact CG-CD1 4.27Å; V224-L236 WeakPolarHBondContact CA-O 3.37Å; M225-L236 HydrophobicContact CB-CB 4.41Å; M225-L236 HydrophobicContact CB-CD1 4.48Å; M225-L236 PolarHBondContact N-O 2.78Å; M225-L236 PolarHBondContact O-N 3.14Å; Q227-L236 HydrophobicContact CB-CD1 4.33Å; Q227-L236 HydrophobicContact CB-CG 4.5Å; L236-V254 HydrophobicContact CD2-CB 4.19Å; L236-V254 HydrophobicContact CD2-CG1 3.86Å; L236-V254 HydrophobicContact CD2-CG2 3.54Å; L236-V322 HydrophobicContact CD1-CB 4.26Å; L236-V322 HydrophobicContact CD1-CG1 4.17Å; L236-V322 HydrophobicContact CD1-CG2 3.92Å; L236-V322 HydrophobicContact CD2-CG1 3.76Å
237V95.9Very high91.8Very high2 Ų253.1 Ų53.11%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-124.3127.1178.71800000108.4P176 W223 M235 E239 A252 V253 V292P176-V237 HydrophobicContact CG-CB 4.46Å; P176-V237 HydrophobicContact CG-CG1 3.63Å; P176-V237 HydrophobicContact CG-CG2 3.94Å; W223-V237 WeakPolarHBondContact O-CA 3.44Å; M235-V237 HydrophobicContact CG-CG2 3.95Å; M235-V237 HydrophobicContact SD-CG2 4.32Å; V237-E239 HydrophobicContact CG1-CB 4.41Å; V237-A252 CarbonylContact O-C 3.56Å; V237-A252 VanDerWaalsContact O-CA 3.27Å; V237-A252 WeakPolarHBondContact O-CA 3.47Å; V237-V253 PolarHBondContact N-O 2.88Å; V237-V253 PolarHBondContact O-N 3.33Å; V237-V292 HydrophobicContact CB-CG1 4.31Å; V237-V292 HydrophobicContact CG1-CG1 4.37Å; V237-V292 HydrophobicContact CG2-CG1 4.21Å
238L96.1Very high91.5Very high0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-115.3113.4163.2176.372.9000107.2F210 A212 D222 W223 F250 F251 A252 F304 L318 I320F210-L238 HydrophobicContact CE1-CB 3.82Å; F210-L238 HydrophobicContact CZ-CB 4.15Å; A212-L238 HydrophobicContact CB-CD2 3.47Å; A212-L238 VanDerWaalsContact CB-CD2 3.47Å; D222-L238 WeakPolarHBondContact CA-O 3.17Å; W223-L238 HydrophobicContact CB-CB 4.27Å; W223-L238 HydrophobicContact CD2-CD2 4.34Å; W223-L238 HydrophobicContact CE3-CB 4.47Å; W223-L238 HydrophobicContact CE3-CD2 3.94Å; W223-L238 HydrophobicContact CE3-CG 4.12Å; W223-L238 HydrophobicContact CZ3-CD2 4.49Å; W223-L238 PolarHBondContact N-O 3.13Å; W223-L238 PolarHBondContact O-N 3.48Å; L238-F250 HydrophobicContact CD1-CB 4.03Å; L238-F250 HydrophobicContact CD1-CD1 4.1Å; L238-F250 HydrophobicContact CD2-CD1 4.28Å; L238-F250 HydrophobicContact CG-CD1 4.24Å; L238-F251 CarbonylContact C-O 3.54Å; L238-F251 WeakPolarHBondContact CA-O 3.18Å; L238-A252 HydrophobicContact CD1-CB 3.89Å; L238-F304 HydrophobicContact CD1-CE1 4.37Å; L238-F304 HydrophobicContact CD1-CZ 3.96Å; L238-L318 HydrophobicContact CD2-CD2 4.46Å; L238-I320 HydrophobicContact CD1-CD1 4.29Å; L238-I320 HydrophobicContact CD2-CD1 4.35Å
239E94.1Very high91.3Very high37 Ų3756.3 Ų56.317%0.17329%0.291CS..EExtended strand (participates in β ladder)trans-110128.1179.8173.3165.8169.700109.5D222 V237 Q241 F250 F251 I296D222-E239 VanDerWaalsContact OD1-CG 3.23Å; D222-E239 WeakPolarHBondContact OD1-CG 3.22Å; V237-E239 HydrophobicContact CG1-CB 4.41Å; E239-Q241 HydrophobicContact CG-CG 3.86Å; E239-Q241 PolarHBondContact OE1-NE2 2.93Å; E239-F250 CarbonylContact O-C 3.56Å; E239-F250 WeakPolarHBondContact O-CA 3.48Å; E239-F251 PolarHBondContact N-O 3.37Å; E239-F251 PolarHBondContact O-N 3.47Å; E239-I296 HydrophobicContact CB-CD1 4.28Å; E239-I296 HydrophobicContact CG-CD1 4.37Å; E239-I296 WeakPolarHBondContact OE2-CD1 3.24Å
240K93.4Very high91.2Very high2 Ų255.7 Ų55.71%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-100.6114.6173.4179.2-178.2-179.5174.10109I215 L217 A220 V221 W223 Q249 F250I215-K240 PolarHBondContact O-NZ 2.78Å; L217-K240 PolarHBondContact O-NZ 2.9Å; A220-K240 VanDerWaalsContact CA-O 3.25Å; A220-K240 WeakPolarHBondContact CA-O 3.39Å; V221-K240 PolarHBondContact N-O 3.41Å; V221-K240 WeakPolarHBondContact O-CB 3.41Å; V221-K240 PolarHBondContact O-N 3.48Å; W223-K240 HydrophobicContact CH2-CD 4.41Å; W223-K240 HydrophobicContact CZ3-CB 3.92Å; K240-Q249 WeakPolarHBondContact CA-O 3.38Å; K240-F250 HydrophobicContact CB-CD1 4.04Å; K240-F250 HydrophobicContact CB-CE1 3.9Å; K240-F250 HydrophobicContact CD-CE1 3.84Å; K240-F250 HydrophobicContact CD-CZ 3.79Å; K240-F250 HydrophobicContact CG-CD1 4.35Å; K240-F250 HydrophobicContact CG-CE1 3.93Å; K240-F250 HydrophobicContact CG-CZ 4.06Å
241Q90.6Very high91.1Very high57 Ų5752.6 Ų52.627%0.26627%0.273SS..EExtended strand (participates in β ladder)trans-110.6144175.7-58.3-169.9-8.800111.4E239 Q248 Q249 F251E239-Q241 HydrophobicContact CG-CG 3.86Å; E239-Q241 PolarHBondContact OE1-NE2 2.93Å; Q241-Q248 CarbonylContact O-C 3.6Å; Q241-Q248 VanDerWaalsContact O-CA 3.32Å; Q241-Q248 WeakPolarHBondContact O-CA 3.26Å; Q241-Q249 PolarHBondContact N-O 3.25Å; Q241-Q249 PolarHBondContact O-N 3.02Å; Q241-F251 HydrophobicContact CB-CE2 4.07Å; Q241-F251 HydrophobicContact CG-CD2 4.18Å; Q241-F251 HydrophobicContact CG-CE2 4.1Å
242E87.9Confident91.2Very high94 Ų9446.9 Ų46.944%0.43923%0.234SC..EExtended strand (participates in β ladder)trans-101.1110.9168.2-174.4165.6-163.700108.9G246 Q248E242-G246 PolarHBondContact OE1-N 2.78Å; E242-Q248 HydrophobicContact CB-CG 4.31Å; E242-Q248 HydrophobicContact CG-CG 4.37Å
243K77.2Confident91.2Very high111 Ų11144.8 Ų44.848%0.48322%0.224SC..EExtended strand (participates in β ladder)trans-79.9-38.4-178.5-76.7-169.1172.1169.20112.2H247K243-H247 PolarHBondContact N-O 2.92Å
244F79.4Confident91.2Very high124 Ų12442 Ų4254%0.54421%0.211SC..EExtended strand (participates in β ladder)trans-158.6163.617645.1-81.1000108.1G246 H247F244-G246 PolarHBondContact O-N 3.19Å; F244-G246 VanDerWaalsContact O-N 3.08Å; F244-H247 HydrophobicContact CD1-CB 4.23Å; F244-H247 HydrophobicContact CD2-CB 3.72Å; F244-H247 AromaticContact CD2-CD2 3.16Å; F244-H247 WeakPolarHBondContact CD2-CD2 3Å; F244-H247 AromaticContact CD2-CG 3.56Å; F244-H247 AromaticContact CD2-NE2 3.97Å; F244-H247 HydrophobicContact CE1-CB 4.01Å; F244-H247 HydrophobicContact CE2-CB 3.54Å; F244-H247 AromaticContact CE2-CD2 2.93Å; F244-H247 WeakPolarHBondContact CE2-CD2 3.09Å; F244-H247 AromaticContact CE2-CE1 3.81Å; F244-H247 AromaticContact CE2-CG 3.08Å; F244-H247 AromaticContact CE2-ND1 3.66Å; F244-H247 AromaticContact CE2-NE2 3.4Å; F244-H247 WeakPolarHBondContact CE2-NE2 3.2Å; F244-H247 HydrophobicContact CG-CB 4.07Å; F244-H247 HydrophobicContact CZ-CB 3.65Å; F244-H247 AromaticContact CZ-CD2 3.86Å; F244-H247 AromaticContact CZ-CG 3.51Å; F244-H247 AromaticContact CZ-ND1 3.88Å; F244-H247 PolarHBondContact O-N 2.93Å
245E78.6Confident91.1Very high186 Ų18642.1 Ų42.187%0.86921%0.212SC*.THydrogen-bonded Turntrans-47.5117-170.8-71.8-175.1162.600112.4H247E245-H247 VanDerWaalsContact C-N 3.3Å; E245-H247 PolarHBondContact O-CD2 3.2Å; E245-H247 PolarHBondContact O-N 2.87Å
246G76.3Confident91.2Very high66 Ų6642.1 Ų42.168%0.6821%0.212SC*.THydrogen-bonded Turntrans81.8-2.4177.500000115.7E242 F244E242-G246 PolarHBondContact OE1-N 2.78Å; F244-G246 PolarHBondContact O-N 3.19Å; F244-G246 VanDerWaalsContact O-N 3.08Å
247H83.8Confident91.1Very high104 Ų10442.8 Ų42.848%0.48122%0.215SC..EExtended strand (participates in β ladder)trans-108.787.3178.4-68.9-92.1000111.1K243 F244 E245K243-H247 PolarHBondContact N-O 2.92Å; F244-H247 HydrophobicContact CD1-CB 4.23Å; F244-H247 HydrophobicContact CD2-CB 3.72Å; F244-H247 AromaticContact CD2-CD2 3.16Å; F244-H247 WeakPolarHBondContact CD2-CD2 3Å; F244-H247 AromaticContact CD2-CG 3.56Å; F244-H247 AromaticContact CD2-NE2 3.97Å; F244-H247 HydrophobicContact CE1-CB 4.01Å; F244-H247 HydrophobicContact CE2-CB 3.54Å; F244-H247 AromaticContact CE2-CD2 2.93Å; F244-H247 WeakPolarHBondContact CE2-CD2 3.09Å; F244-H247 AromaticContact CE2-CE1 3.81Å; F244-H247 AromaticContact CE2-CG 3.08Å; F244-H247 AromaticContact CE2-ND1 3.66Å; F244-H247 AromaticContact CE2-NE2 3.4Å; F244-H247 WeakPolarHBondContact CE2-NE2 3.2Å; F244-H247 HydrophobicContact CG-CB 4.07Å; F244-H247 HydrophobicContact CZ-CB 3.65Å; F244-H247 AromaticContact CZ-CD2 3.86Å; F244-H247 AromaticContact CZ-CG 3.51Å; F244-H247 AromaticContact CZ-ND1 3.88Å; F244-H247 PolarHBondContact O-N 2.93Å; E245-H247 VanDerWaalsContact C-N 3.3Å; E245-H247 PolarHBondContact O-CD2 3.2Å; E245-H247 PolarHBondContact O-N 2.87Å
248Q90.8Very high91Very high39 Ų3942.7 Ų42.718%0.18222%0.215CC..EExtended strand (participates in β ladder)trans-93.6138.2176.6-67.6171.1-7.400110.6Q241 E242 T306Q241-Q248 CarbonylContact O-C 3.6Å; Q241-Q248 VanDerWaalsContact O-CA 3.32Å; Q241-Q248 WeakPolarHBondContact O-CA 3.26Å; E242-Q248 HydrophobicContact CB-CG 4.31Å; E242-Q248 HydrophobicContact CG-CG 4.37Å; Q248-T306 WeakPolarHBondContact CB-OG1 3.43Å
249Q94Very high90.7Very high52 Ų5244.1 Ų44.124%0.24323%0.226CC..EExtended strand (participates in β ladder)trans-128.7143.9175.1-66.4-167.2-60.600110.2K240 Q241 F251K240-Q249 WeakPolarHBondContact CA-O 3.38Å; Q241-Q249 PolarHBondContact N-O 3.25Å; Q241-Q249 PolarHBondContact O-N 3.02Å; Q249-F251 HydrophobicContact CB-CE2 3.68Å; Q249-F251 HydrophobicContact CB-CZ 3.94Å
250F96.3Very high90.6Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-103.5137.7175.1-67.6-92.8000109.4I215 W223 L238 E239 K240 V303 F304 A309I215-F250 HydrophobicContact CB-CE1 4.22Å; I215-F250 HydrophobicContact CB-CZ 4.23Å; W223-F250 HydrophobicContact CH2-CE1 4.44Å; W223-F250 HydrophobicContact CZ3-CE1 4.24Å; L238-F250 HydrophobicContact CD1-CB 4.03Å; L238-F250 HydrophobicContact CD1-CD1 4.1Å; L238-F250 HydrophobicContact CD2-CD1 4.28Å; L238-F250 HydrophobicContact CG-CD1 4.24Å; E239-F250 CarbonylContact O-C 3.56Å; E239-F250 WeakPolarHBondContact O-CA 3.48Å; K240-F250 HydrophobicContact CB-CD1 4.04Å; K240-F250 HydrophobicContact CB-CE1 3.9Å; K240-F250 HydrophobicContact CD-CE1 3.84Å; K240-F250 HydrophobicContact CD-CZ 3.79Å; K240-F250 HydrophobicContact CG-CD1 4.35Å; K240-F250 HydrophobicContact CG-CE1 3.93Å; K240-F250 HydrophobicContact CG-CZ 4.06Å; F250-V303 WeakPolarHBondContact O-CA 3.43Å; F250-F304 HydrophobicContact CB-CD1 4.29Å; F250-F304 HydrophobicContact CB-CD2 3.8Å; F250-F304 HydrophobicContact CB-CE1 3.94Å; F250-F304 HydrophobicContact CB-CE2 3.41Å; F250-F304 VanDerWaalsContact CB-CE2 3.41Å; F250-F304 HydrophobicContact CB-CG 4.22Å; F250-F304 HydrophobicContact CB-CZ 3.48Å; F250-F304 VanDerWaalsContact CB-CZ 3.48Å; F250-F304 HydrophobicContact CD1-CE2 4.32Å; F250-F304 HydrophobicContact CD2-CD2 4.03Å; F250-F304 AromaticContact CD2-CE2 3.82Å; F250-F304 HydrophobicContact CD2-CE2 3.82Å; F250-F304 HydrophobicContact CG-CD2 4.14Å; F250-F304 AromaticContact CG-CE2 3.59Å; F250-F304 HydrophobicContact CG-CE2 3.59Å; F250-F304 HydrophobicContact CG-CZ 4.02Å; F250-F304 PolarHBondContact N-O 3.31Å; F250-F304 PolarHBondContact O-N 3.24Å; F250-F304 VanDerWaalsContact O-N 3.15Å; F250-A309 HydrophobicContact CD2-CB 4.12Å; F250-A309 HydrophobicContact CE2-CB 3.86Å; F250-A309 HydrophobicContact CZ-CB 4.4Å
251F96.6Very high90.5Very high1 Ų152.7 Ų52.70%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-126.1115.6177.7-60.1-93.5000108.6L238 E239 Q241 Q249 I296 L302 V303L238-F251 CarbonylContact C-O 3.54Å; L238-F251 WeakPolarHBondContact CA-O 3.18Å; E239-F251 PolarHBondContact N-O 3.37Å; E239-F251 PolarHBondContact O-N 3.47Å; Q241-F251 HydrophobicContact CB-CE2 4.07Å; Q241-F251 HydrophobicContact CG-CD2 4.18Å; Q241-F251 HydrophobicContact CG-CE2 4.1Å; Q249-F251 HydrophobicContact CB-CE2 3.68Å; Q249-F251 HydrophobicContact CB-CZ 3.94Å; F251-I296 HydrophobicContact CB-CD1 4.21Å; F251-I296 HydrophobicContact CB-CG1 3.89Å; F251-I296 HydrophobicContact CD1-CB 4.28Å; F251-I296 HydrophobicContact CD1-CG1 4.27Å; F251-I296 HydrophobicContact CD1-CG2 3.76Å; F251-I296 HydrophobicContact CD2-CG2 4.11Å; F251-I296 HydrophobicContact CE1-CG2 3.91Å; F251-I296 HydrophobicContact CE2-CG2 4.25Å; F251-I296 HydrophobicContact CG-CB 4.48Å; F251-I296 HydrophobicContact CG-CG1 4.13Å; F251-I296 HydrophobicContact CG-CG2 3.87Å; F251-I296 HydrophobicContact CZ-CG2 4.16Å; F251-L302 WeakPolarHBondContact CA-O 3.46Å; F251-V303 HydrophobicContact CD1-CB 4.43Å; F251-V303 HydrophobicContact CD1-CG1 4.13Å; F251-V303 HydrophobicContact CD1-CG2 3.58Å; F251-V303 HydrophobicContact CE1-CB 4.45Å; F251-V303 HydrophobicContact CE1-CG1 3.79Å; F251-V303 HydrophobicContact CE1-CG2 3.77Å; F251-V303 HydrophobicContact CZ-CG1 4.25Å
252A97.7Very high90.6Very high3 Ų353.3 Ų53.33%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-109.8122178.200000111V237 L238 L270 C301 L302 I320V237-A252 CarbonylContact O-C 3.56Å; V237-A252 VanDerWaalsContact O-CA 3.27Å; V237-A252 WeakPolarHBondContact O-CA 3.47Å; L238-A252 HydrophobicContact CD1-CB 3.89Å; A252-L270 HydrophobicContact CB-CD1 3.67Å; A252-C301 WeakPolarHBondContact O-CB 3.37Å; A252-L302 HydrophobicContact CB-CB 4.16Å; A252-L302 HydrophobicContact CB-CD2 4.3Å; A252-L302 HydrophobicContact CB-CG 4.47Å; A252-L302 PolarHBondContact N-O 3.5Å; A252-L302 PolarHBondContact O-N 3.07Å; A252-I320 HydrophobicContact CB-CD1 4.48Å
253V96.5Very high91Very high2 Ų249 Ų491%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-132.9143.7-173.9-168.20000110V237 L255 V292 A295 I296 C301V237-V253 PolarHBondContact N-O 2.88Å; V237-V253 PolarHBondContact O-N 3.33Å; V253-L255 HydrophobicContact CG1-CD2 4.02Å; V253-V292 HydrophobicContact CB-CG1 4.4Å; V253-A295 HydrophobicContact CG1-CB 4.36Å; V253-A295 HydrophobicContact CG2-CB 4.41Å; V253-I296 HydrophobicContact CG2-CG1 4.46Å; V253-C301 HydrophobicContact CG2-CB 3.62Å
254V97.6Very high91.8Very high1 Ų149.9 Ų49.91%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-110.2126.7170.5-177.70000109.9F234 L236 Y268 L270 P285 R286 I324F234-V254 HydrophobicContact CB-CG1 4.03Å; F234-V254 HydrophobicContact CD1-CG1 4.18Å; L236-V254 HydrophobicContact CD2-CB 4.19Å; L236-V254 HydrophobicContact CD2-CG1 3.86Å; L236-V254 HydrophobicContact CD2-CG2 3.54Å; V254-Y268 HydrophobicContact CB-CD1 3.74Å; V254-Y268 HydrophobicContact CB-CD2 3.89Å; V254-Y268 HydrophobicContact CB-CE1 4.01Å; V254-Y268 HydrophobicContact CB-CE2 4.14Å; V254-Y268 HydrophobicContact CB-CG 3.68Å; V254-Y268 HydrophobicContact CG1-CD1 4.38Å; V254-Y268 HydrophobicContact CG1-CG 4.28Å; V254-Y268 HydrophobicContact CG2-CD1 4.16Å; V254-Y268 HydrophobicContact CG2-CD2 3.35Å; V254-Y268 HydrophobicContact CG2-CE1 4.46Å; V254-Y268 HydrophobicContact CG2-CE2 3.7Å; V254-Y268 HydrophobicContact CG2-CG 3.6Å; V254-L270 HydrophobicContact CG2-CD2 3.88Å; V254-L270 HydrophobicContact CG2-CG 4.43Å; V254-P285 HydrophobicContact CG1-CB 4.17Å; V254-P285 WeakPolarHBondContact O-CA 3.24Å; V254-R286 PolarHBondContact O-N 3.13Å; V254-I324 HydrophobicContact CG1-CD1 4.07Å
255L96.9Very high92.7Very high1 Ų147.8 Ų47.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-111.9135.2175.4-53.8179.9000110.7F234 M235 V253 R286 I288 V292F234-L255 CarbonylContact C-O 3.56Å; F234-L255 WeakPolarHBondContact CA-O 3.39Å; M235-L255 HydrophobicContact CB-CB 4.31Å; M235-L255 PolarHBondContact N-O 3.49Å; M235-L255 PolarHBondContact O-N 3.4Å; V253-L255 HydrophobicContact CG1-CD2 4.02Å; L255-R286 CarbonylContact C-O 3.6Å; L255-R286 WeakPolarHBondContact CA-O 3.49Å; L255-R286 HydrophobicContact CD2-CB 3.78Å; L255-I288 HydrophobicContact CB-CG2 3.88Å; L255-I288 HydrophobicContact CD1-CG2 4.17Å; L255-V292 HydrophobicContact CD1-CG1 3.8Å; L255-V292 HydrophobicContact CD2-CG1 4.25Å; L255-V292 HydrophobicContact CG-CG1 4.23Å
256L97.5Very high93.6Very high0 Ų039.2 Ų39.20%021%0.205CC..EExtended strand (participates in β ladder)trans-83.8129.4166.6173.866.7000110H232 F234 G258 Q262 A263 F266 P285 R286 I288H232-L256 HydrophobicContact CB-CD1 3.8Å; F234-L256 HydrophobicContact CD1-CB 4.21Å; F234-L256 HydrophobicContact CD1-CD1 4.02Å; F234-L256 HydrophobicContact CE1-CB 4.17Å; F234-L256 HydrophobicContact CE1-CD1 3.62Å; F234-L256 HydrophobicContact CE1-CG 4.41Å; F234-L256 HydrophobicContact CE2-CD1 4.44Å; F234-L256 HydrophobicContact CZ-CD1 3.84Å; L256-G258 PolarHBondContact O-N 3.41Å; L256-Q262 HydrophobicContact CD2-CB 3.71Å; L256-A263 HydrophobicContact CB-CB 4.2Å; L256-A263 VanDerWaalsContact CD2-CA 3.46Å; L256-A263 HydrophobicContact CD2-CB 3.79Å; L256-A263 VanDerWaalsContact CD2-N 3.32Å; L256-F266 HydrophobicContact CD2-CD2 4.45Å; L256-P285 HydrophobicContact CB-CB 4.38Å; L256-R286 PolarHBondContact N-O 3.09Å; L256-I288 PolarHBondContact O-N 3.34Å
257I96.3Very high94.7Very high16 Ų1637.3 Ų37.38%0.08218%0.183CC..SBendtrans-75.883.1163.6-58.8-177.7000107.9L186 V189 M190 L193 M226 H233 I288L186-I257 HydrophobicContact CD1-CG2 3.99Å; V189-I257 HydrophobicContact CB-CG2 4.16Å; V189-I257 HydrophobicContact CG1-CD1 4.46Å; V189-I257 HydrophobicContact CG1-CG2 3.97Å; M190-I257 HydrophobicContact CG-CD1 4.15Å; M190-I257 HydrophobicContact CG-CG2 4.2Å; M190-I257 HydrophobicContact SD-CD1 3.26Å; M190-I257 WeakPolarHBondContact SD-CD1 3.4Å; L193-I257 HydrophobicContact CD1-CD1 3.75Å; M226-I257 HydrophobicContact CE-CD1 3.29Å; M226-I257 HydrophobicContact CE-CG1 4.16Å; M226-I257 HydrophobicContact SD-CD1 4.14Å; H233-I257 HydrophobicContact CB-CB 4.29Å; H233-I257 HydrophobicContact CB-CD1 4.08Å; H233-I257 HydrophobicContact CB-CG1 4.45Å; H233-I257 WeakPolarHBondContact O-CB 3.42Å; H233-I257 PolarHBondContact O-N 3.43Å; I257-I288 HydrophobicContact CB-CD1 4.32Å; I257-I288 HydrophobicContact CG1-CD1 4.38Å; I257-I288 HydrophobicContact CG1-CG2 4.07Å; I257-I288 HydrophobicContact CG2-CD1 3.93Å
258G93.1Very high95.4Very high0 Ų032.8 Ų32.80%016%0.161CC..SBendtrans175.8178.2-173.100000112.3L256 S287L256-G258 PolarHBondContact O-N 3.41Å; G258-S287 WeakPolarHBondContact O-CB 3.38Å; G258-S287 PolarHBondContact O-OG 3.18Å
259A90.7Very high95.8Very high30 Ų3035 Ų3525%0.24817%0.168CC..  trans-72.5157.2178.400000112.3K261 Q262 A263A259-K261 VanDerWaalsContact C-N 3.28Å; A259-K261 PolarHBondContact O-N 3.28Å; A259-Q262 HydrophobicContact CB-CG 4.38Å; A259-Q262 WeakPolarHBondContact O-CB 3.36Å; A259-Q262 PolarHBondContact O-N 3.23Å; A259-A263 PolarHBondContact O-N 3.4Å; A259-A263 VanDerWaalsContact O-N 3.1Å
260R90.8Very high96Very high62 Ų6232.8 Ų32.823%0.23416%0.158CC..Hα-helixtrans-55.3-41.7177.5-65.1-179.5-175.799.5-1.3112.9L165 Q262 A263 Q264 D290L165-R260 PolarHBondContact O-NH1 3.27Å; R260-Q262 VanDerWaalsContact C-N 3.29Å; R260-Q262 PolarHBondContact O-N 3.34Å; R260-A263 WeakPolarHBondContact O-CB 3.49Å; R260-A263 PolarHBondContact O-N 3.28Å; R260-A263 VanDerWaalsContact O-N 3.17Å; R260-Q264 PolarHBondContact O-N 2.72Å; R260-D290 IonicContact CZ-OD1 2.83Å; R260-D290 IonicContact NE-OD1 3.73Å; R260-D290 PolarHBondContact NE-OD1 3.32Å; R260-D290 IonicContact NE-OD2 3.85Å; R260-D290 PolarHBondContact NE-OD2 2.65Å; R260-D290 IonicContact NH2-OD1 2.7Å; R260-D290 PolarHBondContact NH2-OD1 2.81Å
261K91.1Very high96.1Very high157 Ų15734.1 Ų34.168%0.68316%0.164SC*.Hα-helixtrans-63.6-33.8177.2-171.7179.2-180-178.80112.7A259 N265A259-K261 VanDerWaalsContact C-N 3.28Å; A259-K261 PolarHBondContact O-N 3.28Å; K261-N265 PolarHBondContact O-ND2 3.39Å
262Q93.9Very high96.2Very high70 Ų7034 Ų3433%0.32716%0.164SC..Hα-helixtrans-70.5-38.7175.2-66.4173.9-60.900110.7L256 A259 R260 Q264 N265 F266L256-Q262 HydrophobicContact CD2-CB 3.71Å; A259-Q262 HydrophobicContact CB-CG 4.38Å; A259-Q262 WeakPolarHBondContact O-CB 3.36Å; A259-Q262 PolarHBondContact O-N 3.23Å; R260-Q262 VanDerWaalsContact C-N 3.29Å; R260-Q262 PolarHBondContact O-N 3.34Å; Q262-Q264 PolarHBondContact O-N 2.94Å; Q262-N265 PolarHBondContact O-N 2.82Å; Q262-N265 VanDerWaalsContact O-N 3.1Å; Q262-N265 PolarHBondContact O-ND2 3.47Å; Q262-F266 VanDerWaalsContact O-CD2 3.31Å; Q262-F266 WeakPolarHBondContact O-CD2 3.49Å
263A95.4Very high96.1Very high3 Ų337.2 Ų37.23%0.02518%0.18CC..Hα-helixtrans-61.2-32.4-178.800000112.5L256 A259 R260 N265 F266 T284 P285L256-A263 HydrophobicContact CB-CB 4.2Å; L256-A263 VanDerWaalsContact CD2-CA 3.46Å; L256-A263 HydrophobicContact CD2-CB 3.79Å; L256-A263 VanDerWaalsContact CD2-N 3.32Å; A259-A263 PolarHBondContact O-N 3.4Å; A259-A263 VanDerWaalsContact O-N 3.1Å; R260-A263 WeakPolarHBondContact O-CB 3.49Å; R260-A263 PolarHBondContact O-N 3.28Å; R260-A263 VanDerWaalsContact O-N 3.17Å; A263-N265 PolarHBondContact O-N 2.75Å; A263-F266 PolarHBondContact O-N 2.87Å; A263-T284 WeakPolarHBondContact O-CG2 3.48Å; A263-P285 HydrophobicContact CB-CG 4.5Å; A263-P285 VanDerWaalsContact CB-O 3.25Å; A263-P285 WeakPolarHBondContact CB-O 3.35Å
264Q95.3Very high95.9Very high131 Ų13138.3 Ų38.361%0.61219%0.192SC*.THydrogen-bonded Turntrans-63.2-18.2176.1-69.4172.5-6.300114.8R260 Q262 F266 C327R260-Q264 PolarHBondContact O-N 2.72Å; Q262-Q264 PolarHBondContact O-N 2.94Å; Q264-F266 VanDerWaalsContact C-N 3.25Å; Q264-F266 PolarHBondContact O-N 3.32Å; Q264-C327 PolarHBondContact O-SG 3.42Å; Q264-C327 VanDerWaalsContact O-SG 3.36Å
265N97.5Very high95.7Very high80 Ų8045 Ų4543%0.42823%0.228SC..THydrogen-bonded Turntrans-87.75.8178.4-51.4-51.7000112.8K261 Q262 A263 M326 C327K261-N265 PolarHBondContact O-ND2 3.39Å; Q262-N265 PolarHBondContact O-N 2.82Å; Q262-N265 VanDerWaalsContact O-N 3.1Å; Q262-N265 PolarHBondContact O-ND2 3.47Å; A263-N265 PolarHBondContact O-N 2.75Å; N265-M326 WeakPolarHBondContact O-CA 3.28Å; N265-C327 PolarHBondContact O-N 3.29Å
266F98.4Very high95.6Very high6 Ų656.5 Ų56.53%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-129.8153.3-178.1-60.5-77.6000111.4F230 H232 F234 L256 Q262 A263 Q264 P285 I324 S325 M326 C327F230-F266 HydrophobicContact CB-CE1 3.76Å; F230-F266 HydrophobicContact CB-CZ 4.21Å; F230-F266 HydrophobicContact CD2-CD1 4.28Å; F230-F266 AromaticContact CD2-CE1 3.89Å; F230-F266 HydrophobicContact CD2-CE1 3.89Å; F230-F266 AromaticContact CG-CE1 3.97Å; F230-F266 HydrophobicContact CG-CE1 3.97Å; H232-F266 AromaticContact CE1-CZ 3.97Å; H232-F266 AromaticContact ND1-CZ 3.66Å; F234-F266 HydrophobicContact CE1-CB 4.32Å; F234-F266 HydrophobicContact CE1-CD2 4.27Å; F234-F266 HydrophobicContact CE1-CG 4.17Å; F234-F266 HydrophobicContact CZ-CB 4.49Å; F234-F266 AromaticContact CZ-CD1 3.99Å; F234-F266 HydrophobicContact CZ-CD1 3.99Å; F234-F266 HydrophobicContact CZ-CD2 4.07Å; F234-F266 HydrophobicContact CZ-CE1 4.2Å; F234-F266 HydrophobicContact CZ-CE2 4.27Å; F234-F266 AromaticContact CZ-CG 3.92Å; F234-F266 HydrophobicContact CZ-CG 3.92Å; F234-F266 HydrophobicContact CZ-CZ 4.33Å; L256-F266 HydrophobicContact CD2-CD2 4.45Å; Q262-F266 VanDerWaalsContact O-CD2 3.31Å; Q262-F266 WeakPolarHBondContact O-CD2 3.49Å; A263-F266 PolarHBondContact O-N 2.87Å; Q264-F266 VanDerWaalsContact C-N 3.25Å; Q264-F266 PolarHBondContact O-N 3.32Å; F266-P285 HydrophobicContact CB-CG 3.81Å; F266-P285 WeakPolarHBondContact O-CD 3.37Å; F266-I324 HydrophobicContact CD1-CG2 4.19Å; F266-S325 CarbonylContact C-O 3.36Å; F266-S325 VanDerWaalsContact CA-O 3.24Å; F266-S325 WeakPolarHBondContact CA-O 3.46Å; F266-M326 HydrophobicContact CD1-CG 4.04Å; F266-M326 HydrophobicContact CE1-CG 3.76Å; F266-C327 VanDerWaalsContact C-SG 3.51Å; F266-C327 PolarHBondContact N-SG 3Å; F266-C327 VanDerWaalsContact N-SG 3.41Å
267A98.4Very high95.5Very high26 Ų2663.4 Ų63.422%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-128.7143.8164.800000108.9A283 S325A267-A283 CarbonylContact C-O 3.55Å; A267-A283 WeakPolarHBondContact CA-O 3.48Å; A267-S325 PolarHBondContact N-O 3.4Å; A267-S325 PolarHBondContact O-N 3.33Å; A267-S325 PolarHBondContact O-OG 3.26Å
268Y98.5Very high95.6Very high8 Ų870.9 Ų70.93%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-114.1146.7172.274.1-90.5000110.3V254 L270 W281 E282 A283 P285 T323 I324V254-Y268 HydrophobicContact CB-CD1 3.74Å; V254-Y268 HydrophobicContact CB-CD2 3.89Å; V254-Y268 HydrophobicContact CB-CE1 4.01Å; V254-Y268 HydrophobicContact CB-CE2 4.14Å; V254-Y268 HydrophobicContact CB-CG 3.68Å; V254-Y268 HydrophobicContact CG1-CD1 4.38Å; V254-Y268 HydrophobicContact CG1-CG 4.28Å; V254-Y268 HydrophobicContact CG2-CD1 4.16Å; V254-Y268 HydrophobicContact CG2-CD2 3.35Å; V254-Y268 HydrophobicContact CG2-CE1 4.46Å; V254-Y268 HydrophobicContact CG2-CE2 3.7Å; V254-Y268 HydrophobicContact CG2-CG 3.6Å; Y268-L270 HydrophobicContact CD2-CD1 4.28Å; Y268-L270 HydrophobicContact CD2-CD2 4.13Å; Y268-L270 HydrophobicContact CD2-CG 3.72Å; Y268-L270 HydrophobicContact CE2-CD1 3.74Å; Y268-L270 HydrophobicContact CE2-CD2 4.42Å; Y268-L270 HydrophobicContact CE2-CG 3.66Å; Y268-W281 AromaticContact CE2-CD1 3.66Å; Y268-W281 AromaticContact CE2-NE1 3.89Å; Y268-W281 AromaticContact CZ-CD1 3.95Å; Y268-W281 AromaticContact CZ-NE1 3.67Å; Y268-W281 PolarHBondContact OH-NE1 2.99Å; Y268-E282 VanDerWaalsContact O-CA 3.25Å; Y268-E282 WeakPolarHBondContact O-CA 3.32Å; Y268-A283 HydrophobicContact CD1-CB 4.49Å; Y268-A283 WeakPolarHBondContact CD1-O 3.18Å; Y268-A283 HydrophobicContact CE1-CB 3.7Å; Y268-A283 WeakPolarHBondContact CE1-O 3.22Å; Y268-A283 PolarHBondContact N-O 3.14Å; Y268-A283 PolarHBondContact O-N 2.99Å; Y268-P285 HydrophobicContact CD1-CB 4.12Å; Y268-T323 CarbonylContact C-O 3.53Å; Y268-T323 VanDerWaalsContact CA-O 3.27Å; Y268-T323 WeakPolarHBondContact CA-O 3.15Å; Y268-I324 VanDerWaalsContact CB-CD1 3.45Å
269R98.8Very high95.8Very high87 Ų8773.7 Ų73.733%0.32834%0.339SS..EExtended strand (participates in β ladder)trans-117.1125.9167.8178.3174.742.3-1193.3109.1T280 W281 E282 V322 T323R269-T280 VanDerWaalsContact CD-CG2 3.45Å; R269-T280 HydrophobicContact CG-CG2 3.54Å; R269-W281 CarbonylContact C-O 3.59Å; R269-W281 WeakPolarHBondContact CA-O 3.48Å; R269-E282 HydrophobicContact CB-CG 3.77Å; R269-E282 WeakPolarHBondContact CD-OE1 3.33Å; R269-E282 HydrophobicContact CG-CG 3.74Å; R269-E282 IonicContact CZ-OE1 3.52Å; R269-E282 IonicContact NE-OE1 3.29Å; R269-E282 IonicContact NH1-OE1 2.77Å; R269-E282 PolarHBondContact NH1-OE1 3.21Å; R269-V322 WeakPolarHBondContact O-CA 3.48Å; R269-T323 PolarHBondContact N-O 3.35Å; R269-T323 PolarHBondContact O-N 3.06Å
270L98.7Very high96.2Very high4 Ų474.9 Ų74.92%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-104.2130.5166.7-58.9178.8000108.9A252 V254 Y268 T280 W281 L302 I320 N321 V322A252-L270 HydrophobicContact CB-CD1 3.67Å; V254-L270 HydrophobicContact CG2-CD2 3.88Å; V254-L270 HydrophobicContact CG2-CG 4.43Å; Y268-L270 HydrophobicContact CD2-CD1 4.28Å; Y268-L270 HydrophobicContact CD2-CD2 4.13Å; Y268-L270 HydrophobicContact CD2-CG 3.72Å; Y268-L270 HydrophobicContact CE2-CD1 3.74Å; Y268-L270 HydrophobicContact CE2-CD2 4.42Å; Y268-L270 HydrophobicContact CE2-CG 3.66Å; L270-T280 CarbonylContact O-C 3.59Å; L270-T280 WeakPolarHBondContact O-CA 3.41Å; L270-W281 PolarHBondContact N-O 2.63Å; L270-W281 PolarHBondContact O-N 3.08Å; L270-L302 HydrophobicContact CB-CD2 3.77Å; L270-L302 HydrophobicContact CD1-CB 3.99Å; L270-L302 HydrophobicContact CD1-CD2 4.19Å; L270-I320 HydrophobicContact CB-CG2 4.12Å; L270-I320 HydrophobicContact CD2-CG2 4.15Å; L270-N321 WeakPolarHBondContact CA-O 3.29Å; L270-V322 HydrophobicContact CD2-CB 4.25Å; L270-V322 HydrophobicContact CD2-CG1 3.91Å; L270-V322 HydrophobicContact CD2-CG2 3.64Å
271E98.6Very high96.6Very high28 Ų2875.4 Ų75.413%0.13135%0.345CS..EExtended strand (participates in β ladder)trans-136.5125.9-177.7-176.2176.2124.700111.8N273 R278 L279 N321E271-N273 PolarHBondContact OE1-ND2 2.79Å; E271-N273 PolarHBondContact OE1-OD1 2.68Å; E271-R278 HydrophobicContact CG-CG 3.7Å; E271-R278 VanDerWaalsContact OE1-CD 3.26Å; E271-R278 WeakPolarHBondContact OE1-CD 3.39Å; E271-R278 WeakPolarHBondContact OE2-CD 3.44Å; E271-L279 CarbonylContact C-O 3.59Å; E271-L279 WeakPolarHBondContact CA-O 3.44Å; E271-N321 HydrophobicContact CB-CB 4.18Å; E271-N321 PolarHBondContact N-O 2.97Å; E271-N321 PolarHBondContact O-N 3.27Å
272L98.3Very high96.9Very high0 Ų073.6 Ų73.60%034%0.339CS..EExtended strand (participates in β ladder)trans-98.8126168.9-54.6-178.1000108.6R278 L279 F304 F312 L318 I320L272-R278 WeakPolarHBondContact O-CA 3.35Å; L272-L279 HydrophobicContact CB-CB 4.33Å; L272-L279 HydrophobicContact CD1-CD2 4.21Å; L272-L279 PolarHBondContact N-O 3.26Å; L272-L279 PolarHBondContact O-N 3.31Å; L272-F304 HydrophobicContact CD1-CD1 4.13Å; L272-F304 HydrophobicContact CD1-CD2 4.46Å; L272-F304 HydrophobicContact CD1-CE1 4.03Å; L272-F304 HydrophobicContact CD1-CE2 4.35Å; L272-F304 HydrophobicContact CD1-CG 4.36Å; L272-F304 HydrophobicContact CD1-CZ 4.14Å; L272-F312 HydrophobicContact CB-CB 4.08Å; L272-F312 HydrophobicContact CB-CD1 3.73Å; L272-F312 HydrophobicContact CB-CD2 3.87Å; L272-F312 HydrophobicContact CB-CE1 4.06Å; L272-F312 HydrophobicContact CB-CE2 4.19Å; L272-F312 HydrophobicContact CB-CG 3.64Å; L272-F312 HydrophobicContact CB-CZ 4.28Å; L272-F312 HydrophobicContact CD1-CB 4.45Å; L272-F312 HydrophobicContact CD1-CD2 3.77Å; L272-F312 HydrophobicContact CD1-CE2 4.27Å; L272-F312 HydrophobicContact CD1-CG 4.21Å; L272-F312 HydrophobicContact CG-CD2 4.49Å; L272-F312 WeakPolarHBondContact O-CE1 3.15Å; L272-L318 HydrophobicContact CD2-CD1 4.06Å; L272-L318 HydrophobicContact CD2-CD2 4.22Å; L272-L318 HydrophobicContact CD2-CG 4.13Å; L272-I320 HydrophobicContact CD2-CB 4.19Å; L272-I320 HydrophobicContact CD2-CD1 4.24Å; L272-I320 HydrophobicContact CD2-CG1 3.65Å; L272-I320 HydrophobicContact CD2-CG2 4.14Å
273N96.1Very high97.1Very high69 Ų6971.5 Ų71.537%0.36933%0.334SS..EExtended strand (participates in β ladder)trans-115.2129.6-179.7-79.2-61.6000110.8E271 F312 N321E271-N273 PolarHBondContact OE1-ND2 2.79Å; E271-N273 PolarHBondContact OE1-OD1 2.68Å; N273-F312 VanDerWaalsContact C-CD1 3.49Å; N273-N321 PolarHBondContact ND2-ND2 2.97Å
274G93Very high97.2Very high25 Ų2574.7 Ų74.726%0.25835%0.353SS..EExtended strand (participates in β ladder)trans-141178.1179.600000110.5R276 R277G274-R276 PolarHBondContact O-N 3.44Å; G274-R277 PolarHBondContact N-O 3.36Å; G274-R277 PolarHBondContact O-N 2.98Å; G274-R277 VanDerWaalsContact O-N 3.12Å
275N92.3Very high97.3Very high142 Ų14268.6 Ų68.676%0.75933%0.325SS*.THydrogen-bonded Turntrans-60.9108.8-177.2-17310000111.4R277N275-R277 PolarHBondContact O-N 3.22Å
276R94.6Very high97.1Very high242 Ų24268 Ų6891%0.91332%0.317SS*.THydrogen-bonded Turntrans55.926.7-176.9-57.517866.7-1801.6114G274G274-R276 PolarHBondContact O-N 3.44Å
277R96Very high96.9Very high146 Ų14667.8 Ų67.855%0.55132%0.316SS*.EExtended strand (participates in β ladder)trans-141.5145.3-177.5-65.8174.6-179.8154.9-1.6109.9G274 N275 F312G274-R277 PolarHBondContact N-O 3.36Å; G274-R277 PolarHBondContact O-N 2.98Å; G274-R277 VanDerWaalsContact O-N 3.12Å; N275-R277 PolarHBondContact O-N 3.22Å; R277-F312 HydrophobicContact CB-CE1 4.09Å; R277-F312 HydrophobicContact CB-CZ 4.32Å
278R97.6Very high96.7Very high173 Ų17366.9 Ų66.965%0.65331%0.307SS*.EExtended strand (participates in β ladder)trans-145.9135.5177-179.5172.360-179.74.4109.2E271 L272E271-R278 HydrophobicContact CG-CG 3.7Å; E271-R278 VanDerWaalsContact OE1-CD 3.26Å; E271-R278 WeakPolarHBondContact OE1-CD 3.39Å; E271-R278 WeakPolarHBondContact OE2-CD 3.44Å; L272-R278 WeakPolarHBondContact O-CA 3.35Å
279L98.3Very high96.2Very high58 Ų5867.5 Ų67.530%0.30431%0.31SS..EExtended strand (participates in β ladder)trans-120.3126.8169.7178.763.3000108E271 L272 L302 F304 V308 F312E271-L279 CarbonylContact C-O 3.59Å; E271-L279 WeakPolarHBondContact CA-O 3.44Å; L272-L279 HydrophobicContact CB-CB 4.33Å; L272-L279 HydrophobicContact CD1-CD2 4.21Å; L272-L279 PolarHBondContact N-O 3.26Å; L272-L279 PolarHBondContact O-N 3.31Å; L279-L302 HydrophobicContact CD2-CD1 3.9Å; L279-L302 HydrophobicContact CG-CD1 4.08Å; L279-F304 HydrophobicContact CD2-CB 4.44Å; L279-V308 HydrophobicContact CD2-CG1 4.2Å; L279-F312 HydrophobicContact CB-CE2 4.02Å; L279-F312 HydrophobicContact CB-CZ 3.85Å
280T98.4Very high95.7Very high56 Ų5665.9 Ų65.934%0.34431%0.309SS..EExtended strand (participates in β ladder)trans-129.9138.2-174.6-52.50000109.9R269 L270 E282R269-T280 VanDerWaalsContact CD-CG2 3.45Å; R269-T280 HydrophobicContact CG-CG2 3.54Å; L270-T280 CarbonylContact O-C 3.59Å; L270-T280 WeakPolarHBondContact O-CA 3.41Å; T280-E282 HydrophobicContact CG2-CG 4.31Å
281W98.6Very high95.1Very high72 Ų7266.9 Ų66.927%0.27332%0.32SS..EExtended strand (participates in β ladder)trans-130.3132.8171170.4-93.6000109.2Y268 R269 L270 A283 L302Y268-W281 AromaticContact CE2-CD1 3.66Å; Y268-W281 AromaticContact CE2-NE1 3.89Å; Y268-W281 AromaticContact CZ-CD1 3.95Å; Y268-W281 AromaticContact CZ-NE1 3.67Å; Y268-W281 PolarHBondContact OH-NE1 2.99Å; R269-W281 CarbonylContact C-O 3.59Å; R269-W281 WeakPolarHBondContact CA-O 3.48Å; L270-W281 PolarHBondContact N-O 2.63Å; L270-W281 PolarHBondContact O-N 3.08Å; W281-A283 HydrophobicContact CZ2-CB 4.02Å; W281-L302 HydrophobicContact CB-CB 3.76Å; W281-L302 HydrophobicContact CB-CD1 3.94Å; W281-L302 HydrophobicContact CB-CG 4.28Å; W281-L302 HydrophobicContact CG-CB 3.91Å
282E98.3Very high94.6Very high120 Ų12066.8 Ų66.856%0.56132%0.321SS*.EExtended strand (participates in β ladder)trans-126.2133.3176.4-63.4-171168.800109.7Y268 R269 T280Y268-E282 VanDerWaalsContact O-CA 3.25Å; Y268-E282 WeakPolarHBondContact O-CA 3.32Å; R269-E282 HydrophobicContact CB-CG 3.77Å; R269-E282 WeakPolarHBondContact CD-OE1 3.33Å; R269-E282 HydrophobicContact CG-CG 3.74Å; R269-E282 IonicContact CZ-OE1 3.52Å; R269-E282 IonicContact NE-OE1 3.29Å; R269-E282 IonicContact NH1-OE1 2.77Å; R269-E282 PolarHBondContact NH1-OE1 3.21Å; T280-E282 HydrophobicContact CG2-CG 4.31Å
283A97.9Very high94.2Very high25 Ų2570.3 Ų70.321%0.20735%0.35CS..EExtended strand (participates in β ladder)trans-158.1172.517700000111.5A267 Y268 W281A267-A283 CarbonylContact C-O 3.55Å; A267-A283 WeakPolarHBondContact CA-O 3.48Å; Y268-A283 HydrophobicContact CD1-CB 4.49Å; Y268-A283 WeakPolarHBondContact CD1-O 3.18Å; Y268-A283 HydrophobicContact CE1-CB 3.7Å; Y268-A283 WeakPolarHBondContact CE1-O 3.22Å; Y268-A283 PolarHBondContact N-O 3.14Å; Y268-A283 PolarHBondContact O-N 2.99Å; W281-A283 HydrophobicContact CZ2-CB 4.02Å
284T97.8Very high93.8Very high71 Ų7169 Ų6944%0.43635%0.349SS..PPolyproline II helixtrans-77.6133.9169-57.80000109.4A263A263-T284 WeakPolarHBondContact O-CG2 3.48Å
285P97.3Very high93.7Very high3 Ų367.9 Ų67.92%0.01934%0.337CS..PPolyproline II helixtrans-62.6146.7176.226.8-31.5000109.7F234 V254 L256 A263 F266 Y268F234-P285 HydrophobicContact CD1-CB 4.33Å; F234-P285 HydrophobicContact CD1-CG 4.44Å; F234-P285 HydrophobicContact CE1-CB 4.43Å; F234-P285 HydrophobicContact CE1-CG 4.05Å; V254-P285 HydrophobicContact CG1-CB 4.17Å; V254-P285 WeakPolarHBondContact O-CA 3.24Å; L256-P285 HydrophobicContact CB-CB 4.38Å; A263-P285 HydrophobicContact CB-CG 4.5Å; A263-P285 VanDerWaalsContact CB-O 3.25Å; A263-P285 WeakPolarHBondContact CB-O 3.35Å; F266-P285 HydrophobicContact CB-CG 3.81Å; F266-P285 WeakPolarHBondContact O-CD 3.37Å; Y268-P285 HydrophobicContact CD1-CB 4.12Å
286R94Very high93.6Very high67 Ų6761.6 Ų61.625%0.25330%0.304SS..EExtended strand (participates in β ladder)trans-86.6152.3174.9-71.3177.4171.7-91.30.8110.2V254 L255 L256 D300V254-R286 PolarHBondContact O-N 3.13Å; L255-R286 CarbonylContact C-O 3.6Å; L255-R286 WeakPolarHBondContact CA-O 3.49Å; L255-R286 HydrophobicContact CD2-CB 3.78Å; L256-R286 PolarHBondContact N-O 3.09Å; R286-D300 IonicContact CZ-OD2 2.69Å; R286-D300 IonicContact NE-OD2 3.15Å; R286-D300 IonicContact NH2-OD2 3.49Å; R286-D300 PolarHBondContact NH2-OD2 3.47Å
287S94.3Very high93.5Very high1 Ų157 Ų571%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-70145.2169172.40000109.6G258 H289 D290G258-S287 WeakPolarHBondContact O-CB 3.38Å; G258-S287 PolarHBondContact O-OG 3.18Å; S287-H289 PolarHBondContact O-N 3.35Å; S287-H289 PolarHBondContact OG-N 3.29Å; S287-H289 VanDerWaalsContact OG-N 3.14Å; S287-D290 PolarHBondContact O-N 3.02Å
288I93.1Very high93.3Very high7 Ų755.4 Ų55.44%0.03630%0.299CS..THydrogen-bonded Turntrans-56.9-15.2168.752.9163.8000113.8Y171 P174 L186 V189 L255 L256 I257 D290 G291Y171-I288 HydrophobicContact CD1-CD1 3.33Å; Y171-I288 HydrophobicContact CD1-CG1 3.5Å; Y171-I288 HydrophobicContact CE1-CD1 3.78Å; Y171-I288 HydrophobicContact CE1-CG1 3.59Å; Y171-I288 HydrophobicContact CG-CD1 4.22Å; P174-I288 HydrophobicContact CB-CB 4.14Å; P174-I288 HydrophobicContact CB-CG2 3.79Å; P174-I288 HydrophobicContact CG-CG2 4.33Å; L186-I288 HydrophobicContact CD1-CD1 4.17Å; V189-I288 HydrophobicContact CB-CD1 4.47Å; V189-I288 HydrophobicContact CG1-CD1 3.92Å; V189-I288 HydrophobicContact CG2-CD1 4.07Å; L255-I288 HydrophobicContact CB-CG2 3.88Å; L255-I288 HydrophobicContact CD1-CG2 4.17Å; L256-I288 PolarHBondContact O-N 3.34Å; I257-I288 HydrophobicContact CB-CD1 4.32Å; I257-I288 HydrophobicContact CG1-CD1 4.38Å; I257-I288 HydrophobicContact CG1-CG2 4.07Å; I257-I288 HydrophobicContact CG2-CD1 3.93Å; I288-D290 VanDerWaalsContact C-N 3.3Å; I288-G291 PolarHBondContact O-N 3.34Å
289H88.8Confident93.1Very high21 Ų2150.1 Ų50.110%0.09729%0.288CS..THydrogen-bonded Turntrans-62.9-34.7168.7-93.8-4.2000113.7R169 Y171 S287R169-H289 PolarHBondContact O-CE1 3.12Å; R169-H289 PolarHBondContact O-NE2 2.68Å; Y171-H289 AromaticContact CD1-CE1 3.39Å; Y171-H289 WeakPolarHBondContact CD1-CE1 3.18Å; Y171-H289 AromaticContact CD1-ND1 3.09Å; Y171-H289 WeakPolarHBondContact CD1-ND1 3.43Å; Y171-H289 AromaticContact CD2-CE1 3.41Å; Y171-H289 VanDerWaalsContact CD2-CE1 3.41Å; Y171-H289 WeakPolarHBondContact CD2-CE1 3.35Å; Y171-H289 HydrophobicContact CE1-CB 4.37Å; Y171-H289 AromaticContact CE1-CE1 3.22Å; Y171-H289 WeakPolarHBondContact CE1-CE1 3.25Å; Y171-H289 AromaticContact CE1-CG 3.55Å; Y171-H289 AromaticContact CE1-ND1 3Å; Y171-H289 WeakPolarHBondContact CE1-ND1 3.32Å; Y171-H289 AromaticContact CE1-NE2 3.85Å; Y171-H289 AromaticContact CE2-CE1 3.17Å; Y171-H289 WeakPolarHBondContact CE2-CE1 3.21Å; Y171-H289 AromaticContact CE2-ND1 3.89Å; Y171-H289 AromaticContact CE2-NE2 3.63Å; Y171-H289 AromaticContact CG-CE1 3.5Å; Y171-H289 AromaticContact CG-ND1 3.63Å; Y171-H289 AromaticContact CZ-CD2 3.89Å; Y171-H289 AromaticContact CZ-CE1 3.09Å; Y171-H289 AromaticContact CZ-CG 3.89Å; Y171-H289 AromaticContact CZ-ND1 3.42Å; Y171-H289 AromaticContact CZ-NE2 3.4Å; Y171-H289 PolarHBondContact OH-NE2 2.77Å; S287-H289 PolarHBondContact O-N 3.35Å; S287-H289 PolarHBondContact OG-N 3.29Å; S287-H289 VanDerWaalsContact OG-N 3.14Å
290D86.9Confident93Very high54 Ų5450.6 Ų50.629%0.28929%0.291SS..THydrogen-bonded Turntrans-83.6-21.7-178.1-58.5-38.5000111.4R260 S287 I288R260-D290 IonicContact CZ-OD1 2.83Å; R260-D290 IonicContact NE-OD1 3.73Å; R260-D290 PolarHBondContact NE-OD1 3.32Å; R260-D290 IonicContact NE-OD2 3.85Å; R260-D290 PolarHBondContact NE-OD2 2.65Å; R260-D290 IonicContact NH2-OD1 2.7Å; R260-D290 PolarHBondContact NH2-OD1 2.81Å; S287-D290 PolarHBondContact O-N 3.02Å; I288-D290 VanDerWaalsContact C-N 3.3Å
291G86.7Confident93Very high25 Ų2548.1 Ų48.126%0.25828%0.276SS..THydrogen-bonded Turntrans61.8-164.3-174.200000112.7I288I288-G291 PolarHBondContact O-N 3.34Å
292V89.3Confident93Very high25 Ų2545 Ų4515%0.15226%0.264CS..THydrogen-bonded Turntrans-96.2-23.4179.1-61.10000113.6V237 V253 L255 A294 A295 I296V237-V292 HydrophobicContact CB-CG1 4.31Å; V237-V292 HydrophobicContact CG1-CG1 4.37Å; V237-V292 HydrophobicContact CG2-CG1 4.21Å; V253-V292 HydrophobicContact CB-CG1 4.4Å; L255-V292 HydrophobicContact CD1-CG1 3.8Å; L255-V292 HydrophobicContact CD2-CG1 4.25Å; L255-V292 HydrophobicContact CG-CG1 4.23Å; V292-A294 PolarHBondContact O-N 2.99Å; V292-A295 WeakPolarHBondContact O-CB 3.31Å; V292-A295 PolarHBondContact O-N 2.97Å; V292-I296 HydrophobicContact CB-CD1 4Å; V292-I296 HydrophobicContact CB-CG1 4.49Å; V292-I296 HydrophobicContact CG2-CD1 3.95Å; V292-I296 WeakPolarHBondContact O-CG1 3.32Å; V292-I296 PolarHBondContact O-N 2.92Å
293A88.3Confident92.9Very high75 Ų7541.4 Ų41.462%0.6225%0.25SS*.Hα-helixtrans-57.8-45.4-167.300000113.2I296 L297A293-I296 PolarHBondContact O-N 3.2Å; A293-L297 VanDerWaalsContact O-CB 3.27Å; A293-L297 WeakPolarHBondContact O-CB 3.33Å; A293-L297 PolarHBondContact O-N 3.48Å
294A87.9Confident92.9Very high42 Ų4240.6 Ų40.635%0.34724%0.242SC..Hα-helixtrans-68.4-34.2178.900000112.7V292 N298V292-A294 PolarHBondContact O-N 2.99Å; A294-N298 WeakPolarHBondContact O-CB 3.37Å; A294-N298 PolarHBondContact O-N 3.46Å; A294-N298 PolarHBondContact O-ND2 2.87Å
295A90.4Very high92.7Very high0 Ų040.4 Ų40.40%024%0.239CC..Hα-helixtrans-66.4-46.7176.700000110.6V253 V292 N298 S299 D300V253-A295 HydrophobicContact CG1-CB 4.36Å; V253-A295 HydrophobicContact CG2-CB 4.41Å; V292-A295 WeakPolarHBondContact O-CB 3.31Å; V292-A295 PolarHBondContact O-N 2.97Å; A295-N298 PolarHBondContact O-N 3.47Å; A295-S299 PolarHBondContact O-N 3.31Å; A295-D300 PolarHBondContact O-N 3.15Å
296I91.4Very high92.5Very high11 Ų1141.7 Ų41.76%0.05625%0.247CC..Hα-helixtrans-64.9-47.2179.1-65.7174.9000111.2E239 F251 V253 V292 A293 N298 S299E239-I296 HydrophobicContact CB-CD1 4.28Å; E239-I296 HydrophobicContact CG-CD1 4.37Å; E239-I296 WeakPolarHBondContact OE2-CD1 3.24Å; F251-I296 HydrophobicContact CB-CD1 4.21Å; F251-I296 HydrophobicContact CB-CG1 3.89Å; F251-I296 HydrophobicContact CD1-CB 4.28Å; F251-I296 HydrophobicContact CD1-CG1 4.27Å; F251-I296 HydrophobicContact CD1-CG2 3.76Å; F251-I296 HydrophobicContact CD2-CG2 4.11Å; F251-I296 HydrophobicContact CE1-CG2 3.91Å; F251-I296 HydrophobicContact CE2-CG2 4.25Å; F251-I296 HydrophobicContact CG-CB 4.48Å; F251-I296 HydrophobicContact CG-CG1 4.13Å; F251-I296 HydrophobicContact CG-CG2 3.87Å; F251-I296 HydrophobicContact CZ-CG2 4.16Å; V253-I296 HydrophobicContact CG2-CG1 4.46Å; V292-I296 HydrophobicContact CB-CD1 4Å; V292-I296 HydrophobicContact CB-CG1 4.49Å; V292-I296 HydrophobicContact CG2-CD1 3.95Å; V292-I296 WeakPolarHBondContact O-CG1 3.32Å; V292-I296 PolarHBondContact O-N 2.92Å; A293-I296 PolarHBondContact O-N 3.2Å; I296-N298 VanDerWaalsContact C-N 3.27Å; I296-N298 PolarHBondContact O-N 3.22Å; I296-S299 PolarHBondContact O-N 2.71Å
297L91.5Very high92.5Very high144 Ų14442.6 Ų42.675%0.75426%0.263SS*.Hα-helixtrans-58.1-40.8180-178.764.4000112.1A293 S299A293-L297 VanDerWaalsContact O-CB 3.27Å; A293-L297 WeakPolarHBondContact O-CB 3.33Å; A293-L297 PolarHBondContact O-N 3.48Å; L297-S299 VanDerWaalsContact C-N 3.34Å
298N93.6Very high92.6Very high114 Ų11444.5 Ų44.561%0.6128%0.275SS*.THydrogen-bonded Turntrans-88.2-0.6-179.7-64.5-48.8000113.6A294 A295 I296 D300A294-N298 WeakPolarHBondContact O-CB 3.37Å; A294-N298 PolarHBondContact O-N 3.46Å; A294-N298 PolarHBondContact O-ND2 2.87Å; A295-N298 PolarHBondContact O-N 3.47Å; I296-N298 VanDerWaalsContact C-N 3.27Å; I296-N298 PolarHBondContact O-N 3.22Å; N298-D300 HydrophobicContact CB-CB 4.43Å; N298-D300 PolarHBondContact O-N 3.32Å
299S93.4Very high92.7Very high61 Ų6144.1 Ų44.143%0.42727%0.273SS..THydrogen-bonded Turntrans52.834-171.3-530000113.1A295 I296 L297 C301A295-S299 PolarHBondContact O-N 3.31Å; I296-S299 PolarHBondContact O-N 2.71Å; L297-S299 VanDerWaalsContact C-N 3.34Å; S299-C301 VanDerWaalsContact C-N 3.26Å; S299-C301 PolarHBondContact O-N 3.09Å
300D96.1Very high93Very high69 Ų6947.9 Ų47.937%0.36929%0.29SS..  trans-92.759.8176.6-176.629.7000110.3R286 A295 N298R286-D300 IonicContact CZ-OD2 2.69Å; R286-D300 IonicContact NE-OD2 3.15Å; R286-D300 IonicContact NH2-OD2 3.49Å; R286-D300 PolarHBondContact NH2-OD2 3.47Å; A295-D300 PolarHBondContact O-N 3.15Å; N298-D300 HydrophobicContact CB-CB 4.43Å; N298-D300 PolarHBondContact O-N 3.32Å
301C97.2Very high93.4Very high4 Ų449.8 Ų49.83%0.02730%0.3CS..SBendtrans-166.3179.2178.961.40000110.4A252 V253 S299 V303A252-C301 WeakPolarHBondContact O-CB 3.37Å; V253-C301 HydrophobicContact CG2-CB 3.62Å; S299-C301 VanDerWaalsContact C-N 3.26Å; S299-C301 PolarHBondContact O-N 3.09Å; C301-V303 PolarHBondContact O-N 3.04Å
302L98.1Very high93.9Very high6 Ų649.8 Ų49.83%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-71.2113.6172.4174.460.7000109.3F251 A252 L270 L279 W281 F304F251-L302 WeakPolarHBondContact CA-O 3.46Å; A252-L302 HydrophobicContact CB-CB 4.16Å; A252-L302 HydrophobicContact CB-CD2 4.3Å; A252-L302 HydrophobicContact CB-CG 4.47Å; A252-L302 PolarHBondContact N-O 3.5Å; A252-L302 PolarHBondContact O-N 3.07Å; L270-L302 HydrophobicContact CB-CD2 3.77Å; L270-L302 HydrophobicContact CD1-CB 3.99Å; L270-L302 HydrophobicContact CD1-CD2 4.19Å; L279-L302 HydrophobicContact CD2-CD1 3.9Å; L279-L302 HydrophobicContact CG-CD1 4.08Å; W281-L302 HydrophobicContact CB-CB 3.76Å; W281-L302 HydrophobicContact CB-CD1 3.94Å; W281-L302 HydrophobicContact CB-CG 4.28Å; W281-L302 HydrophobicContact CG-CB 3.91Å; L302-F304 HydrophobicContact CD1-CD1 4.3Å; L302-F304 HydrophobicContact CD2-CD1 4.39Å; L302-F304 HydrophobicContact CD2-CE1 4.15Å; L302-F304 HydrophobicContact CG-CD1 3.94Å; L302-F304 HydrophobicContact CG-CE1 4.07Å
303V97.4Very high94.2Very high44 Ų4449.9 Ų49.927%0.26730%0.296SS..EExtended strand (participates in β ladder)trans-116.9133179.1-172.50000110.5F250 F251 C301F250-V303 WeakPolarHBondContact O-CA 3.43Å; F251-V303 HydrophobicContact CD1-CB 4.43Å; F251-V303 HydrophobicContact CD1-CG1 4.13Å; F251-V303 HydrophobicContact CD1-CG2 3.58Å; F251-V303 HydrophobicContact CE1-CB 4.45Å; F251-V303 HydrophobicContact CE1-CG1 3.79Å; F251-V303 HydrophobicContact CE1-CG2 3.77Å; F251-V303 HydrophobicContact CZ-CG1 4.25Å; C301-V303 PolarHBondContact O-N 3.04Å
304F96.7Very high94.5Very high8 Ų851.7 Ų51.74%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-151.4155.7174.354.8-85.6000111.3L238 F250 L272 L279 L302 V308 A309 L318L238-F304 HydrophobicContact CD1-CE1 4.37Å; L238-F304 HydrophobicContact CD1-CZ 3.96Å; F250-F304 HydrophobicContact CB-CD1 4.29Å; F250-F304 HydrophobicContact CB-CD2 3.8Å; F250-F304 HydrophobicContact CB-CE1 3.94Å; F250-F304 HydrophobicContact CB-CE2 3.41Å; F250-F304 VanDerWaalsContact CB-CE2 3.41Å; F250-F304 HydrophobicContact CB-CG 4.22Å; F250-F304 HydrophobicContact CB-CZ 3.48Å; F250-F304 VanDerWaalsContact CB-CZ 3.48Å; F250-F304 HydrophobicContact CD1-CE2 4.32Å; F250-F304 HydrophobicContact CD2-CD2 4.03Å; F250-F304 AromaticContact CD2-CE2 3.82Å; F250-F304 HydrophobicContact CD2-CE2 3.82Å; F250-F304 HydrophobicContact CG-CD2 4.14Å; F250-F304 AromaticContact CG-CE2 3.59Å; F250-F304 HydrophobicContact CG-CE2 3.59Å; F250-F304 HydrophobicContact CG-CZ 4.02Å; F250-F304 PolarHBondContact N-O 3.31Å; F250-F304 PolarHBondContact O-N 3.24Å; F250-F304 VanDerWaalsContact O-N 3.15Å; L272-F304 HydrophobicContact CD1-CD1 4.13Å; L272-F304 HydrophobicContact CD1-CD2 4.46Å; L272-F304 HydrophobicContact CD1-CE1 4.03Å; L272-F304 HydrophobicContact CD1-CE2 4.35Å; L272-F304 HydrophobicContact CD1-CG 4.36Å; L272-F304 HydrophobicContact CD1-CZ 4.14Å; L279-F304 HydrophobicContact CD2-CB 4.44Å; L302-F304 HydrophobicContact CD1-CD1 4.3Å; L302-F304 HydrophobicContact CD2-CD1 4.39Å; L302-F304 HydrophobicContact CD2-CE1 4.15Å; L302-F304 HydrophobicContact CG-CD1 3.94Å; L302-F304 HydrophobicContact CG-CE1 4.07Å; F304-V308 HydrophobicContact CB-CB 3.96Å; F304-V308 HydrophobicContact CB-CG1 3.72Å; F304-V308 HydrophobicContact CD2-CG1 4.44Å; F304-V308 HydrophobicContact CG-CG1 4.34Å; F304-A309 HydrophobicContact CD2-CB 3.9Å; F304-A309 HydrophobicContact CE2-CB 3.74Å; F304-L318 HydrophobicContact CE2-CD2 3.73Å; F304-L318 HydrophobicContact CZ-CD2 3.58Å
305D94.9Very high94.6Very high68 Ų6856.4 Ų56.436%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-89.2173.1176.966.836.5000112S307 V308 A309D305-S307 PolarHBondContact O-N 3.36Å; D305-S307 WeakPolarHBondContact OD1-CA 3.17Å; D305-S307 VanDerWaalsContact OD1-CB 3.22Å; D305-S307 WeakPolarHBondContact OD1-CB 3.29Å; D305-S307 PolarHBondContact OD1-N 2.87Å; D305-V308 PolarHBondContact O-N 3.39Å; D305-V308 WeakPolarHBondContact OD1-CG2 3.47Å; D305-V308 PolarHBondContact OD1-N 2.98Å; D305-A309 PolarHBondContact O-N 3.31Å
306T93Very high94.6Very high30 Ų3057.5 Ų57.518%0.18433%0.326CS..Hα-helixtrans-58.8-33.1177.4-53.60000113.4Q248 A309 H310Q248-T306 WeakPolarHBondContact CB-OG1 3.43Å; T306-A309 PolarHBondContact O-N 3.07Å; T306-H310 WeakPolarHBondContact CG2-NE2 3.24Å; T306-H310 PolarHBondContact O-CD2 3.03Å; T306-H310 PolarHBondContact O-N 3.21Å
307S93.7Very high94.8Very high86 Ų8659.2 Ų59.260%0.60134%0.335SS*.Hα-helixtrans-66.1-45.9178.8-52.30000110.5D305 H310 L311D305-S307 PolarHBondContact O-N 3.36Å; D305-S307 WeakPolarHBondContact OD1-CA 3.17Å; D305-S307 VanDerWaalsContact OD1-CB 3.22Å; D305-S307 WeakPolarHBondContact OD1-CB 3.29Å; D305-S307 PolarHBondContact OD1-N 2.87Å; S307-H310 PolarHBondContact O-N 3.32Å; S307-L311 WeakPolarHBondContact O-CG 3.39Å; S307-L311 PolarHBondContact O-N 3.49Å
308V95.6Very high95.1Very high40 Ų4052.4 Ų52.424%0.24230%0.299CS..Hα-helixtrans-62.2-44.9174.5175.90000110.4L279 F304 D305 H310 L311 F312L279-V308 HydrophobicContact CD2-CG1 4.2Å; F304-V308 HydrophobicContact CB-CB 3.96Å; F304-V308 HydrophobicContact CB-CG1 3.72Å; F304-V308 HydrophobicContact CD2-CG1 4.44Å; F304-V308 HydrophobicContact CG-CG1 4.34Å; D305-V308 PolarHBondContact O-N 3.39Å; D305-V308 WeakPolarHBondContact OD1-CG2 3.47Å; D305-V308 PolarHBondContact OD1-N 2.98Å; V308-H310 VanDerWaalsContact C-N 3.29Å; V308-H310 PolarHBondContact O-N 3.15Å; V308-L311 WeakPolarHBondContact O-CB 3.33Å; V308-L311 PolarHBondContact O-N 3.46Å; V308-F312 HydrophobicContact CG1-CD2 3.87Å; V308-F312 HydrophobicContact CG1-CE2 3.69Å; V308-F312 WeakPolarHBondContact O-CD2 3.41Å; V308-F312 PolarHBondContact O-N 3.09Å
309A95.8Very high95.3Very high0 Ų048.1 Ų48.10%028%0.282CS..Hα-helixtrans-54.7-44.6177.500000111.9I215 F250 F304 D305 T306 L311 F312 A313I215-A309 HydrophobicContact CD1-CB 4.03Å; F250-A309 HydrophobicContact CD2-CB 4.12Å; F250-A309 HydrophobicContact CE2-CB 3.86Å; F250-A309 HydrophobicContact CZ-CB 4.4Å; F304-A309 HydrophobicContact CD2-CB 3.9Å; F304-A309 HydrophobicContact CE2-CB 3.74Å; D305-A309 PolarHBondContact O-N 3.31Å; T306-A309 PolarHBondContact O-N 3.07Å; A309-L311 VanDerWaalsContact C-N 3.3Å; A309-L311 PolarHBondContact O-N 3.09Å; A309-F312 PolarHBondContact O-N 2.96Å; A309-F312 VanDerWaalsContact O-N 3.15Å; A309-A313 WeakPolarHBondContact O-CB 3.47Å; A309-A313 PolarHBondContact O-N 3.15Å
310H94.1Very high95.5Very high99 Ų9945.2 Ų45.246%0.45826%0.262SS..Hα-helixtrans-67.2-23.7177.6-74.2-56000114.7S216 T306 S307 V308 F312S216-H310 PolarHBondContact OG-CE1 3.31Å; T306-H310 WeakPolarHBondContact CG2-NE2 3.24Å; T306-H310 PolarHBondContact O-CD2 3.03Å; T306-H310 PolarHBondContact O-N 3.21Å; S307-H310 PolarHBondContact O-N 3.32Å; V308-H310 VanDerWaalsContact C-N 3.29Å; V308-H310 PolarHBondContact O-N 3.15Å; H310-F312 PolarHBondContact O-N 3.01Å
311L96.3Very high95.6Very high95 Ų9544.4 Ų44.450%0.49726%0.258SS..Hα-helixtrans-72.1-21.9174-66.2179.8000112.9S307 V308 A309S307-L311 WeakPolarHBondContact O-CG 3.39Å; S307-L311 PolarHBondContact O-N 3.49Å; V308-L311 WeakPolarHBondContact O-CB 3.33Å; V308-L311 PolarHBondContact O-N 3.46Å; A309-L311 VanDerWaalsContact C-N 3.3Å; A309-L311 PolarHBondContact O-N 3.09Å
312F97.1Very high95.7Very high25 Ų2544.2 Ų44.211%0.1126%0.256CS..Hα-helixtrans-110.3-14.2-176.3-67.7-68.3000113.4L272 N273 R277 L279 V308 A309 H310 L318L272-F312 HydrophobicContact CB-CB 4.08Å; L272-F312 HydrophobicContact CB-CD1 3.73Å; L272-F312 HydrophobicContact CB-CD2 3.87Å; L272-F312 HydrophobicContact CB-CE1 4.06Å; L272-F312 HydrophobicContact CB-CE2 4.19Å; L272-F312 HydrophobicContact CB-CG 3.64Å; L272-F312 HydrophobicContact CB-CZ 4.28Å; L272-F312 HydrophobicContact CD1-CB 4.45Å; L272-F312 HydrophobicContact CD1-CD2 3.77Å; L272-F312 HydrophobicContact CD1-CE2 4.27Å; L272-F312 HydrophobicContact CD1-CG 4.21Å; L272-F312 HydrophobicContact CG-CD2 4.49Å; L272-F312 WeakPolarHBondContact O-CE1 3.15Å; N273-F312 VanDerWaalsContact C-CD1 3.49Å; R277-F312 HydrophobicContact CB-CE1 4.09Å; R277-F312 HydrophobicContact CB-CZ 4.32Å; L279-F312 HydrophobicContact CB-CE2 4.02Å; L279-F312 HydrophobicContact CB-CZ 3.85Å; V308-F312 HydrophobicContact CG1-CD2 3.87Å; V308-F312 HydrophobicContact CG1-CE2 3.69Å; V308-F312 WeakPolarHBondContact O-CD2 3.41Å; V308-F312 PolarHBondContact O-N 3.09Å; A309-F312 PolarHBondContact O-N 2.96Å; A309-F312 VanDerWaalsContact O-N 3.15Å; H310-F312 PolarHBondContact O-N 3.01Å; F312-L318 HydrophobicContact CB-CD1 3.69Å
313A95.9Very high95.7Very high26 Ų2645 Ų4522%0.21526%0.262CS..  trans-81.1146.4179.900000112.5I215 A309 N317 L318I215-A313 HydrophobicContact CD1-CB 3.54Å; A309-A313 WeakPolarHBondContact O-CB 3.47Å; A309-A313 PolarHBondContact O-N 3.15Å; A313-N317 CarbonylContact C-O 3.59Å; A313-N317 WeakPolarHBondContact CA-O 3.26Å; A313-N317 WeakPolarHBondContact CB-O 3.14Å; A313-L318 HydrophobicContact CB-CD1 4.47Å
314D93.9Very high95.8Very high114 Ų11443 Ų4361%0.6125%0.25SC*.BIsolated β-bridgetrans-121.6125.4170-173.515.5000109.5G316 N317D314-G316 PolarHBondContact O-N 3.46Å; D314-G316 VanDerWaalsContact O-N 3.14Å; D314-N317 PolarHBondContact N-O 2.98Å; D314-N317 WeakPolarHBondContact O-CB 3.41Å; D314-N317 PolarHBondContact O-N 3.4Å
315N90.9Very high95.8Very high141 Ų14145.3 Ų45.375%0.75427%0.266SS*.THydrogen-bonded Turntrans4938.2-176.1-59.3-43.8000114.1N317N315-N317 VanDerWaalsContact C-N 3.27Å; N315-N317 PolarHBondContact O-N 2.8Å
316G90.2Very high95.9Very high23 Ų2348 Ų4824%0.23728%0.278CS..THydrogen-bonded Turntrans80.40.5-179.600000115.1D214 I215 D314D214-G316 WeakPolarHBondContact CA-O 3.45Å; D214-G316 PolarHBondContact N-O 2.89Å; I215-G316 PolarHBondContact N-O 2.9Å; D314-G316 PolarHBondContact O-N 3.46Å; D314-G316 VanDerWaalsContact O-N 3.14Å
317N95.3Very high95.8Very high47 Ų4752.7 Ų52.725%0.25131%0.311SS..BIsolated β-bridgetrans-102.9136176.6-51.7-56000110.5L211 A212 T213 D214 A313 D314 N315L211-N317 HydrophobicContact CD1-CB 3.84Å; L211-N317 HydrophobicContact CG-CB 4.37Å; A212-N317 CarbonylContact O-C 3.56Å; A212-N317 WeakPolarHBondContact O-CA 3.49Å; T213-N317 VanDerWaalsContact CA-OD1 3.24Å; T213-N317 WeakPolarHBondContact CA-OD1 3.08Å; T213-N317 WeakPolarHBondContact CB-OD1 3.24Å; D214-N317 PolarHBondContact N-OD1 2.88Å; A313-N317 CarbonylContact C-O 3.59Å; A313-N317 WeakPolarHBondContact CA-O 3.26Å; A313-N317 WeakPolarHBondContact CB-O 3.14Å; D314-N317 PolarHBondContact N-O 2.98Å; D314-N317 WeakPolarHBondContact O-CB 3.41Å; D314-N317 PolarHBondContact O-N 3.4Å; N315-N317 VanDerWaalsContact C-N 3.27Å; N315-N317 PolarHBondContact O-N 2.8Å
318L97.4Very high95.9Very high0 Ų051.1 Ų51.10%030%0.296CS..EExtended strand (participates in β ladder)trans-106.7114.1176.2-174.267.6000109.7A212 I215 L238 L272 F304 F312 A313 I320A212-L318 HydrophobicContact CB-CB 4.39Å; A212-L318 PolarHBondContact N-O 3.17Å; A212-L318 PolarHBondContact O-N 3.16Å; I215-L318 HydrophobicContact CD1-CB 4.05Å; I215-L318 HydrophobicContact CG2-CB 3.72Å; L238-L318 HydrophobicContact CD2-CD2 4.46Å; L272-L318 HydrophobicContact CD2-CD1 4.06Å; L272-L318 HydrophobicContact CD2-CD2 4.22Å; L272-L318 HydrophobicContact CD2-CG 4.13Å; F304-L318 HydrophobicContact CE2-CD2 3.73Å; F304-L318 HydrophobicContact CZ-CD2 3.58Å; F312-L318 HydrophobicContact CB-CD1 3.69Å; A313-L318 HydrophobicContact CB-CD1 4.47Å; L318-I320 HydrophobicContact CD2-CD1 4.34Å; L318-I320 HydrophobicContact CD2-CG1 4.38Å; L318-I320 HydrophobicContact CG-CG1 4.27Å
319G97.3Very high96Very high24 Ų2451.6 Ų51.625%0.24730%0.299CS..EExtended strand (participates in β ladder)trans-87.4121.9171.300000110.7
320I98.4Very high96Very high0 Ų054.5 Ų54.50%032%0.316CS..EExtended strand (participates in β ladder)trans-111.5115.2174.5-45.4-172.1000107.5F210 L238 A252 L270 L272 L318 V322F210-I320 HydrophobicContact CB-CB 4.37Å; F210-I320 HydrophobicContact CD1-CD1 4.21Å; F210-I320 PolarHBondContact N-O 3.15Å; F210-I320 PolarHBondContact O-N 3.37Å; L238-I320 HydrophobicContact CD1-CD1 4.29Å; L238-I320 HydrophobicContact CD2-CD1 4.35Å; A252-I320 HydrophobicContact CB-CD1 4.48Å; L270-I320 HydrophobicContact CB-CG2 4.12Å; L270-I320 HydrophobicContact CD2-CG2 4.15Å; L272-I320 HydrophobicContact CD2-CB 4.19Å; L272-I320 HydrophobicContact CD2-CD1 4.24Å; L272-I320 HydrophobicContact CD2-CG1 3.65Å; L272-I320 HydrophobicContact CD2-CG2 4.14Å; L318-I320 HydrophobicContact CD2-CD1 4.34Å; L318-I320 HydrophobicContact CD2-CG1 4.38Å; L318-I320 HydrophobicContact CG-CG1 4.27Å; I320-V322 HydrophobicContact CG2-CG2 4.24Å; I320-V322 PolarHBondContact O-N 2.88Å
321N98.5Very high96.1Very high52 Ų5251.9 Ų51.928%0.27831%0.308SS..EExtended strand (participates in β ladder)trans-72.6129.1170.9-66.9-8.3000108.1L270 E271 N273L270-N321 WeakPolarHBondContact CA-O 3.29Å; E271-N321 HydrophobicContact CB-CB 4.18Å; E271-N321 PolarHBondContact N-O 2.97Å; E271-N321 PolarHBondContact O-N 3.27Å; N273-N321 PolarHBondContact ND2-ND2 2.97Å
322V98.7Very high96.1Very high0 Ų049.2 Ų49.20%030%0.296CS..EExtended strand (participates in β ladder)trans-124.4112.9-178.1-172.70000109D207 I208 F210 Q227 L236 R269 L270 I320 I324D207-V322 WeakPolarHBondContact CA-O 3.31Å; I208-V322 HydrophobicContact CG1-CB 4.09Å; I208-V322 PolarHBondContact N-O 3.45Å; I208-V322 PolarHBondContact O-N 3.14Å; F210-V322 HydrophobicContact CB-CG2 3.96Å; Q227-V322 VanDerWaalsContact OE1-CG1 3.26Å; L236-V322 HydrophobicContact CD1-CB 4.26Å; L236-V322 HydrophobicContact CD1-CG1 4.17Å; L236-V322 HydrophobicContact CD1-CG2 3.92Å; L236-V322 HydrophobicContact CD2-CG1 3.76Å; R269-V322 WeakPolarHBondContact O-CA 3.48Å; L270-V322 HydrophobicContact CD2-CB 4.25Å; L270-V322 HydrophobicContact CD2-CG1 3.91Å; L270-V322 HydrophobicContact CD2-CG2 3.64Å; I320-V322 HydrophobicContact CG2-CG2 4.24Å; I320-V322 PolarHBondContact O-N 2.88Å; V322-I324 HydrophobicContact CG1-CD1 4.43Å
323T98.7Very high96Very high24 Ų2450.8 Ų50.815%0.14731%0.308CS..EExtended strand (participates in β ladder)trans-111128.2175.1-44.30000109.5E206 D207 Y268 R269E206-T323 CarbonylContact O-C 3.56Å; E206-T323 VanDerWaalsContact O-CA 3.26Å; E206-T323 WeakPolarHBondContact O-CA 3.37Å; D207-T323 HydrophobicContact CB-CG2 4.41Å; D207-T323 PolarHBondContact OD1-OG1 3.12Å; Y268-T323 CarbonylContact C-O 3.53Å; Y268-T323 VanDerWaalsContact CA-O 3.27Å; Y268-T323 WeakPolarHBondContact CA-O 3.15Å; R269-T323 PolarHBondContact N-O 3.35Å; R269-T323 PolarHBondContact O-N 3.06Å
324I98.6Very high96Very high2 Ų252.6 Ų52.61%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-106.2137.8170.1-54.8-61.5000108.4E206 F230 F234 V254 F266 Y268 V322E206-I324 PolarHBondContact O-N 3.04Å; F230-I324 HydrophobicContact CD2-CG2 4.08Å; F230-I324 HydrophobicContact CE2-CB 4.3Å; F230-I324 HydrophobicContact CE2-CG2 3.97Å; F230-I324 WeakPolarHBondContact CE2-O 3.46Å; F234-I324 HydrophobicContact CD1-CD1 4.29Å; F234-I324 HydrophobicContact CD2-CG1 4.36Å; F234-I324 HydrophobicContact CD2-CG2 4.48Å; F234-I324 HydrophobicContact CE1-CG2 4.09Å; F234-I324 HydrophobicContact CE2-CG2 3.94Å; F234-I324 HydrophobicContact CG-CD1 4.34Å; F234-I324 HydrophobicContact CG-CG1 4.4Å; F234-I324 HydrophobicContact CZ-CG2 3.72Å; V254-I324 HydrophobicContact CG1-CD1 4.07Å; F266-I324 HydrophobicContact CD1-CG2 4.19Å; Y268-I324 VanDerWaalsContact CB-CD1 3.45Å; V322-I324 HydrophobicContact CG1-CD1 4.43Å
325S98.3Very high96.2Very high55 Ų5547.8 Ų47.839%0.38529%0.292SS..EExtended strand (participates in β ladder)trans-137.7154.7177.456.60000110.4F266 A267F266-S325 CarbonylContact C-O 3.36Å; F266-S325 VanDerWaalsContact CA-O 3.24Å; F266-S325 WeakPolarHBondContact CA-O 3.46Å; A267-S325 PolarHBondContact N-O 3.4Å; A267-S325 PolarHBondContact O-N 3.33Å; A267-S325 PolarHBondContact O-OG 3.26Å
326M96.8Very high96.6Very high125 Ų12540.1 Ų40.162%0.61625%0.254SS*.EExtended strand (participates in β ladder)trans-84.6144.1170.4-63.8-179.266.700109.9F230 N265 F266F230-M326 HydrophobicContact CD1-CG 3.95Å; F230-M326 HydrophobicContact CD1-SD 3.75Å; F230-M326 HydrophobicContact CD2-CG 4.46Å; F230-M326 HydrophobicContact CE1-CG 4.08Å; F230-M326 HydrophobicContact CE1-SD 4.15Å; F230-M326 HydrophobicContact CG-CG 4.16Å; F230-M326 HydrophobicContact CG-SD 4.3Å; F230-M326 HydrophobicContact CZ-CG 4.39Å; N265-M326 WeakPolarHBondContact O-CA 3.28Å; F266-M326 HydrophobicContact CD1-CG 4.04Å; F266-M326 HydrophobicContact CE1-CG 3.76Å
327C91.1Very high97.2Very high129 Ų12941.6 Ų41.687%0.87226%0.255SS*.  trans-127.60177.155.60000113.2Q264 N265 F266Q264-C327 PolarHBondContact O-SG 3.42Å; Q264-C327 VanDerWaalsContact O-SG 3.36Å; N265-C327 PolarHBondContact O-N 3.29Å; F266-C327 VanDerWaalsContact C-SG 3.51Å; F266-C327 PolarHBondContact N-SG 3Å; F266-C327 VanDerWaalsContact N-SG 3.41Å

Retrieved 327 of 327 residues in 125.4 ms (Link to these results)