A0A087YAH0_POEFO Loading...

Ciliogenesis-associated TTC17-interacting protein

Plays a role in primary ciliogenesis by modulating actin polymerization.

AlphaFold DB , UniProt , Accession A0A087YAH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1N38.1Very low31.4Very low206 Ų206144.6 Ų144.6100%1.10283%0.829SS**  077.70-64.4-0.1000106.6
2V32.4Very low31.4Very low129 Ų129145 Ų14578%0.78281%0.814SS**  66.693103-178.60000108.4
3S31Very low31.7Very low90 Ų90143 Ų14363%0.62981%0.811SS**  72.8135.463.575.70000115.5
4D31.6Very low31.6Very low139 Ų139142.9 Ų142.974%0.74380%0.8SS**  trans93.3110.8162.1-50.8-25.3000117.4
5E34.2Very low31.5Very low186 Ų186146.1 Ų146.187%0.86981%0.806SS**  69.511577-102.7-169.7-17900114.1
6A30.1Very low31.3Very low100 Ų100147.3 Ų147.383%0.82680%0.804SS**  165.1120.6125.900000113.6
7V31Very low31.1Very low138 Ų138150.8 Ų150.884%0.83681%0.81SS**  trans-15.8138.9146.8-179.10000117.9
8S29.9Very low31Very low113 Ų113152.2 Ų152.279%0.7981%0.807SS**  -167119.6129.855.90000112.3
9E30Very low30.7Very low182 Ų182149.4 Ų149.485%0.8581%0.808SS**  trans-53.4139.5155.4-70.1167.6132.700110.1
10E28.8Very low30.7Very low201 Ų201148 Ų14894%0.93981%0.81SS**  trans-153.6132.1143.1-121.1174.1-166.100110.9
11S28.8Very low30.5Very low107 Ų107148.5 Ų148.575%0.74881%0.812SS**  trans-115.4127.1-168.438.90000109.8
12K31.6Very low30.1Very low149 Ų149148.3 Ų148.365%0.64880%0.804SS**  trans63.8159.3159.1-105.4-173.9-178.5-178.70117.4E14K12-E14 HydrophobicContact CD-CB 4.31Å; K12-E14 HydrophobicContact CD-CG 4.31Å; K12-E14 VanDerWaalsContact CE-OE1 3.3Å; K12-E14 WeakPolarHBondContact CE-OE1 3.48Å; K12-E14 WeakPolarHBondContact CE-OE2 3.29Å; K12-E14 IonicContact NZ-OE1 2.74Å; K12-E14 PolarHBondContact NZ-OE1 3.16Å; K12-E14 IonicContact NZ-OE2 2.61Å; K12-E14 PolarHBondContact NZ-OE2 3.13Å
13P34.4Very low29.8Very low119 Ų119146.3 Ų146.377%0.77380%0.801SS**  cis-130.4143.743.436.4-17.1000114.3
14E30.5Very low29.6Very low141 Ų141148.3 Ų148.366%0.65981%0.81SS**  35.592.984.5-95.2176-166.300114.5K12 E16K12-E14 HydrophobicContact CD-CB 4.31Å; K12-E14 HydrophobicContact CD-CG 4.31Å; K12-E14 VanDerWaalsContact CE-OE1 3.3Å; K12-E14 WeakPolarHBondContact CE-OE1 3.48Å; K12-E14 WeakPolarHBondContact CE-OE2 3.29Å; K12-E14 IonicContact NZ-OE1 2.74Å; K12-E14 PolarHBondContact NZ-OE1 3.16Å; K12-E14 IonicContact NZ-OE2 2.61Å; K12-E14 PolarHBondContact NZ-OE2 3.13Å; E14-E16 PolarHBondContact O-N 2.68Å
15E30.2Very low29.4Very low192 Ų192147.2 Ų147.290%0.89781%0.813SS**  trans-67.4112.7167.6-85.3-176.8146.300110.3F17E15-F17 PolarHBondContact O-N 3.45Å
16E28Very low29Very low164 Ų164147.4 Ų147.477%0.76681%0.814SS**  trans-64.9116.2161.9-72.3179.3148.700110.1E14 K18E14-E16 PolarHBondContact O-N 2.68Å; E16-K18 PolarHBondContact O-N 3.28Å; E16-K18 VanDerWaalsContact O-N 3.17Å
17F27.8Very low28.8Very low207 Ų207152.1 Ų152.191%0.90882%0.819SS**  trans-72.1102.4157-105.8-93.3000108.4E15 A19E15-F17 PolarHBondContact O-N 3.45Å; F17-A19 PolarHBondContact O-N 2.79Å
18K29.1Very low28.6Very low176 Ų176150.6 Ų150.677%0.76581%0.814SS**  trans-71116.3169.6-79-177.4176.4176.50109.9E16E16-K18 PolarHBondContact O-N 3.28Å; E16-K18 VanDerWaalsContact O-N 3.17Å
19A26.9Very low28.3Very low99 Ų99153 Ų15382%0.81881%0.811SS**  trans-65.7127.7154.900000108.8F17F17-A19 PolarHBondContact O-N 2.79Å
20S30.6Very low28.4Very low121 Ų121149.9 Ų149.985%0.84681%0.806SS**  trans-101.6105.3164.751.70000108.5
21D26.5Very low28.3Very low160 Ų160147.4 Ų147.486%0.85679%0.794SS**  trans-67.1121.1156.5-84.1-39000108.6
22E28.5Very low28.2Very low201 Ų201150.8 Ų150.894%0.93980%0.798SS**  trans-126.7117.1150.8-111.8-174175.200107.9
23A26.5Very low27.9Very low87 Ų87151.1 Ų151.172%0.71980%0.802SS**  trans-112.8148.517800000110.1
24V26.2Very low27.4Very low133 Ų133154.7 Ų154.781%0.80681%0.806SS**  trans91.8107153.4-163.20000117.1
25S27.4Very low27.2Very low116 Ų116156 Ų15681%0.81181%0.809SS**  -168.8133.198.3330000112.9
26E25.7Very low26.9Very low189 Ų189151.8 Ų151.888%0.88381%0.807SS**  trans-64140.6170-65.7168.512700111.3
27E26.1Very low26.9Very low199 Ų199149.6 Ų149.693%0.9381%0.81SS**  trans-149.4145.8139.1-114.4-178.3-169.300109.7
28S26.4Very low26.8Very low107 Ų107147.6 Ų147.675%0.74881%0.809SS**  trans-116.3135.8-146.142.50000114
29K25.1Very low26.7Very low164 Ų164148.8 Ų148.871%0.71382%0.817SS**  trans62.1164.3151-95.9-156.2165.5-161.70119.3E31K29-E31 WeakPolarHBondContact CE-OE2 3.36Å; K29-E31 IonicContact NZ-OE2 3.64Å; K29-E31 PolarHBondContact NZ-OE2 3.35Å
30P31.8Very low26.6Very low115 Ų115148.7 Ų148.775%0.74782%0.816SS**  cis-129.9165.76.331.3-9.6000117.7
31E26.2Very low26.5Very low150 Ų150149.5 Ų149.570%0.70182%0.816SS**  trans-58.3138.3161.9-60.8150.5147.100111.7K29K29-E31 WeakPolarHBondContact CE-OE2 3.36Å; K29-E31 IonicContact NZ-OE2 3.64Å; K29-E31 PolarHBondContact NZ-OE2 3.35Å
32E26.4Very low26.4Very low178 Ų178146.6 Ų146.683%0.83281%0.808SS**  trans-112.7108.9160.4-103.6-173.5171.300109.9
33E24.8Very low26.4Very low156 Ų156146 Ų14673%0.72981%0.805SS**  trans-63.1134.2159.2-66.7-179.8151.300109.4
34F25.3Very low26.4Very low193 Ų193151.5 Ų151.585%0.84682%0.816SS**  trans-115.8109.7156.8-109.2-90.2000110.4
35K25.9Very low26.5Very low169 Ų169150.5 Ų150.574%0.73582%0.815SS**  trans-77.7148.8172.6-77.8178.1178.9168.60111
36A24.6Very low26.5Very low103 Ų103154.5 Ų154.585%0.85182%0.818SS**  trans-54.7148.6169.200000113.6
37S28.1Very low26.7Very low119 Ų119151 Ų15183%0.83281%0.812SS**  trans-138.2116.215454.70000109.2
38D24.8Very low26.8Very low165 Ų165150.6 Ų150.688%0.88281%0.81SS**  trans-62.4132.6161.4-82.4-46.7000110.2
39E26.9Very low26.9Very low200 Ų200154.2 Ų154.294%0.93582%0.815SS**  trans-154.3118.7144.7-118.9178.3-172.400109.6
40A25.6Very low27Very low97 Ų97154.3 Ų154.380%0.80282%0.818SS**  trans-94.2132.5179.900000110.7
41V26.5Very low26.8Very low138 Ų138158.2 Ų158.284%0.83682%0.823SS**  trans-152.3113.9152.6177.80000111.8
42S26.3Very low27Very low99 Ų99159.6 Ų159.669%0.69283%0.827SS**  trans32.7122.3148.868.60000124
43E27.6Very low27.3Very low188 Ų188154.4 Ų154.488%0.87982%0.815SS**  20.6117.6129.4-70.4-179148.200119.7
44E26.2Very low27.8Very low204 Ų204150.5 Ų150.595%0.95381%0.805SS**  trans-143.7130.1130.1-105.9-176.5-177.300110
45S27.7Very low28.2Very low111 Ų111148.5 Ų148.578%0.77680%0.802SS**  trans-104.8133.1-168.350.70000112.9
46K27.9Very low28.7Very low201 Ų201147.6 Ų147.687%0.87480%0.801SS**  trans148.4157.6141.5-91.8-179.7173.8179.90113.1
47P30.5Very low29.3Very low116 Ų116145 Ų14575%0.75378%0.779SS**  cis-123.6165.7-41.734.1-17.3000112.1E49P47-E49 PolarHBondContact O-N 3.44Å
48E29.1Very low29.6Very low190 Ų190143.2 Ų143.289%0.88876%0.763SS**  trans-56.7123.1172.7-64.1166.7159.800111.6E50E48-E50 PolarHBondContact O-N 3.4Å
49E27.6Very low30.3Very low183 Ų183137.5 Ų137.586%0.85574%0.737SS**  trans-80.9104.9158.3-90.6-174.4157.300107.8P47 F51P47-E49 PolarHBondContact O-N 3.44Å; E49-F51 PolarHBondContact O-N 2.94Å
50E28Very low30.7Very low166 Ų166134.1 Ų134.178%0.77672%0.721SS**  trans-54102.2161.6-78.4-179.6154.800108.9E48 K52E48-E50 PolarHBondContact O-N 3.4Å; E50-K52 PolarHBondContact O-N 3.43Å
51F27.4Very low31.4Very low197 Ų197136.1 Ų136.186%0.86471%0.713SS**  trans-6790.9159.1-118.9-94.5000107E49 A53E49-F51 PolarHBondContact O-N 2.94Å; F51-A53 VanDerWaalsContact C-N 3.29Å; F51-A53 PolarHBondContact O-N 3.17Å
52K28.9Very low32Very low179 Ų179132.6 Ų132.678%0.77870%0.695SS**  trans-62.596.4164.4-83-176.7175.51790107.7E50 S54E50-K52 PolarHBondContact O-N 3.43Å; K52-S54 PolarHBondContact O-N 2.81Å
53A33.9Very low32.6Very low69 Ų69134.7 Ų134.757%0.5769%0.692SS**  trans-51.7123.1155.200000107F51 D55 V58F51-A53 VanDerWaalsContact C-N 3.29Å; F51-A53 PolarHBondContact O-N 3.17Å; A53-D55 PolarHBondContact O-N 3.15Å; A53-V58 HydrophobicContact CB-CG2 4.38Å
54S34.2Very low33.5Very low74 Ų74130.8 Ų130.852%0.51768%0.676SS.*  trans-60.1130.6172.939.90000108.6K52 E56 A57K52-S54 PolarHBondContact O-N 2.81Å; S54-E56 PolarHBondContact O-N 3.19Å; S54-A57 PolarHBondContact O-N 3.06Å
55D34.1Very low34.4Very low150 Ų150126.4 Ų126.480%0.80266%0.655SS**Hα-helixtrans-52.4-18.4176.9-81.8-39.4000113.1A53 S59A53-D55 PolarHBondContact O-N 3.15Å; D55-S59 WeakPolarHBondContact O-CB 3.28Å; D55-S59 PolarHBondContact O-N 3.29Å; D55-S59 PolarHBondContact O-OG 3.27Å
56E36.3Very low35.3Very low150 Ų150124.2 Ų124.270%0.70164%0.644SS**Hα-helixtrans-70.3-39.8175.3-78.2178.7155.800113.6S54 S59 E60S54-E56 PolarHBondContact O-N 3.19Å; E56-S59 WeakPolarHBondContact CA-OG 3.21Å; E56-S59 PolarHBondContact O-N 3.39Å; E56-S59 PolarHBondContact O-OG 2.93Å; E56-E60 PolarHBondContact O-N 2.95Å; E56-E60 VanDerWaalsContact O-N 3.08Å
57A36.7Very low37Very low48 Ų48121.2 Ų121.240%0.39763%0.633SS.*Hα-helixtrans-72-38.4-178.100000112.1S54 S59 E60 E61S54-A57 PolarHBondContact O-N 3.06Å; A57-S59 VanDerWaalsContact C-N 3.25Å; A57-S59 PolarHBondContact O-N 3.34Å; A57-E60 PolarHBondContact O-N 3.24Å; A57-E61 PolarHBondContact O-N 3.35Å
58V34.8Very low39.1Very low82 Ų82118.7 Ų118.750%0.49761%0.61SS.*Hα-helixtrans-69.5-26.8173.5-173.80000110.9A53 S62A53-V58 HydrophobicContact CB-CG2 4.38Å; V58-S62 WeakPolarHBondContact O-CB 3.31Å; V58-S62 PolarHBondContact O-N 2.94Å; V58-S62 PolarHBondContact O-OG 3.03Å
59S40.1Very low42Very low46 Ų46116.1 Ų116.132%0.32260%0.598SS.*Hα-helixtrans-80.5-21.3177810000114.7D55 E56 A57 S62 K63D55-S59 WeakPolarHBondContact O-CB 3.28Å; D55-S59 PolarHBondContact O-N 3.29Å; D55-S59 PolarHBondContact O-OG 3.27Å; E56-S59 WeakPolarHBondContact CA-OG 3.21Å; E56-S59 PolarHBondContact O-N 3.39Å; E56-S59 PolarHBondContact O-OG 2.93Å; A57-S59 VanDerWaalsContact C-N 3.25Å; A57-S59 PolarHBondContact O-N 3.34Å; S59-S62 WeakPolarHBondContact CA-OG 3.38Å; S59-S62 PolarHBondContact O-OG 3.47Å; S59-K63 WeakPolarHBondContact O-CB 3.4Å; S59-K63 WeakPolarHBondContact O-CG 3.4Å; S59-K63 PolarHBondContact O-N 3.34Å
60E35.8Very low45.2Very low129 Ų129108.1 Ų108.160%0.60356%0.563SS**Hα-helixtrans-84.3-43.2175.7-84.4179.8155.600111.6E56 A57 S62 K63 I64E56-E60 PolarHBondContact O-N 2.95Å; E56-E60 VanDerWaalsContact O-N 3.08Å; A57-E60 PolarHBondContact O-N 3.24Å; E60-S62 VanDerWaalsContact C-N 3.35Å; E60-S62 PolarHBondContact O-N 3.34Å; E60-K63 PolarHBondContact O-N 3.11Å; E60-K63 VanDerWaalsContact O-N 3.17Å; E60-I64 VanDerWaalsContact O-CG1 3.29Å; E60-I64 WeakPolarHBondContact O-CG1 3.26Å; E60-I64 PolarHBondContact O-N 3.1Å
61E39.5Very low48.4Very low138 Ų138101.2 Ų101.265%0.64553%0.534SS*.Hα-helixtrans-60-43.8172.9-74.3178.2165.400111.7A57 K63 I64 E65A57-E61 PolarHBondContact O-N 3.35Å; E61-K63 VanDerWaalsContact C-N 3.3Å; E61-K63 PolarHBondContact O-N 3.34Å; E61-I64 PolarHBondContact O-N 3.45Å; E61-E65 WeakPolarHBondContact O-CG 3.49Å; E61-E65 PolarHBondContact O-N 3.11Å; E61-E65 VanDerWaalsContact O-N 3.13Å
62S40.3Very low51.5Low64 Ų6497.3 Ų97.345%0.44852%0.522SS..Hα-helixtrans-72.9-16.7177.158.10000114.7V58 S59 E60V58-S62 WeakPolarHBondContact O-CB 3.31Å; V58-S62 PolarHBondContact O-N 2.94Å; V58-S62 PolarHBondContact O-OG 3.03Å; S59-S62 WeakPolarHBondContact CA-OG 3.38Å; S59-S62 PolarHBondContact O-OG 3.47Å; E60-S62 VanDerWaalsContact C-N 3.35Å; E60-S62 PolarHBondContact O-N 3.34Å
63K37.1Very low54.6Low144 Ų14494.1 Ų94.163%0.62651%0.51SS*.Hα-helixtrans-83.8-38.3171.5-93.5176.4177.1172.20112.3S59 E60 E61 E65 A66S59-K63 WeakPolarHBondContact O-CB 3.4Å; S59-K63 WeakPolarHBondContact O-CG 3.4Å; S59-K63 PolarHBondContact O-N 3.34Å; E60-K63 PolarHBondContact O-N 3.11Å; E60-K63 VanDerWaalsContact O-N 3.17Å; E61-K63 VanDerWaalsContact C-N 3.3Å; E61-K63 PolarHBondContact O-N 3.34Å; K63-E65 VanDerWaalsContact C-N 3.33Å; K63-A66 PolarHBondContact O-N 3.45Å
64I46.6Very low57.5Low106 Ų10690.9 Ų90.954%0.54448%0.483SS..Hα-helixtrans-67.4-36.8177.4-64.9164.8000110.2E60 E61 A66 E67E60-I64 VanDerWaalsContact O-CG1 3.29Å; E60-I64 WeakPolarHBondContact O-CG1 3.26Å; E60-I64 PolarHBondContact O-N 3.1Å; E61-I64 PolarHBondContact O-N 3.45Å; I64-A66 PolarHBondContact O-N 3.12Å; I64-E67 PolarHBondContact O-N 3.34Å
65E46.3Very low60.4Low111 Ų11187.9 Ų87.952%0.51946%0.461SS..THydrogen-bonded Turntrans-63.1-19.3173.3-76.5-178.6162.700114.3E61 K63E61-E65 WeakPolarHBondContact O-CG 3.49Å; E61-E65 PolarHBondContact O-N 3.11Å; E61-E65 VanDerWaalsContact O-N 3.13Å; K63-E65 VanDerWaalsContact C-N 3.33Å
66A46Very low63.3Low66 Ų6684.3 Ų84.355%0.54545%0.448SS..THydrogen-bonded Turntrans-90.3-14.517800000113.8K63 I64K63-A66 PolarHBondContact O-N 3.45Å; I64-A66 PolarHBondContact O-N 3.12Å
67E63.4Low66.1Low138 Ų13877.8 Ų77.865%0.64542%0.417SS*.THydrogen-bonded Turntrans-82.5-25.9-173.7-80.8-172.2155.300113.9I64I64-E67 PolarHBondContact O-N 3.34Å
68F75.4Confident68.9Low63 Ų6376.2 Ų76.228%0.27640%0.402SS..  trans-126.379.2-174-57.6-73000112.2I243 Q245F68-I243 HydrophobicContact CB-CB 4.49Å; F68-I243 HydrophobicContact CB-CG2 3.73Å; F68-Q245 HydrophobicContact CD1-CG 3.88Å
69Q89.8Confident71.7Confident135 Ų13576.4 Ų76.463%0.63140%0.403SS*.  trans-107.8147.8170.6-65.7-177.14.800110.9
70A94.3Very high74.3Confident15 Ų1576.2 Ų76.212%0.12440%0.402CS..  trans-66.1140.3169.300000109.4V75 R207 V233 I235A70-V75 HydrophobicContact CB-CG2 4.04Å; A70-R207 WeakPolarHBondContact CB-O 3.44Å; A70-V233 CarbonylContact C-O 3.58Å; A70-V233 WeakPolarHBondContact CA-O 3.09Å; A70-I235 HydrophobicContact CB-CG2 4.29Å
71S95.3Very high77.2Confident22 Ų2270.6 Ų70.615%0.15438%0.376CS..  trans-60.3147.8172.957.90000111.4E73 A74 V75 V233S71-E73 PolarHBondContact O-N 3.27Å; S71-A74 WeakPolarHBondContact O-CB 3.26Å; S71-A74 PolarHBondContact O-N 3.13Å; S71-A74 WeakPolarHBondContact OG-CB 3.32Å; S71-A74 PolarHBondContact OG-N 2.99Å; S71-A74 VanDerWaalsContact OG-N 3.17Å; S71-V75 PolarHBondContact O-N 3.41Å; S71-V75 VanDerWaalsContact O-N 3.08Å; S71-V233 PolarHBondContact N-O 2.9Å; S71-V233 PolarHBondContact OG-N 3.09Å; S71-V233 PolarHBondContact OG-O 2.86Å; S71-V233 VanDerWaalsContact OG-O 3.09Å
72D93.5Very high79.7Confident115 Ų11569.2 Ų69.262%0.61537%0.37SS*.Hα-helixtrans-59.3-33.4175.6-79.2-35.6000111.5V75 S76 R207D72-V75 PolarHBondContact O-N 3.39Å; D72-S76 WeakPolarHBondContact O-CB 3.19Å; D72-S76 PolarHBondContact O-N 3.49Å; D72-R207 IonicContact OD1-NH1 3.49Å
73E93.9Very high82Confident112 Ų11270.3 Ų70.352%0.52338%0.376SS..Hα-helixtrans-61-48.1172.5-66.880.2-177.500111.3S71 V75 S76 F77 M232S71-E73 PolarHBondContact O-N 3.27Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-V75 PolarHBondContact O-N 3.3Å; E73-S76 PolarHBondContact O-N 3.2Å; E73-F77 PolarHBondContact O-N 2.85Å; E73-M232 HydrophobicContact CB-CE 3.85Å; E73-M232 HydrophobicContact CB-CG 3.79Å; E73-M232 VanDerWaalsContact O-CE 3.25Å; E73-M232 WeakPolarHBondContact O-CE 3.46Å
74A95Very high84.5Confident0 Ų069 Ų690%037%0.372CS..Hα-helixtrans-59.1-45178.100000111.6S71 F77 L78 M232 V233 F234S71-A74 WeakPolarHBondContact O-CB 3.26Å; S71-A74 PolarHBondContact O-N 3.13Å; S71-A74 WeakPolarHBondContact OG-CB 3.32Å; S71-A74 PolarHBondContact OG-N 2.99Å; S71-A74 VanDerWaalsContact OG-N 3.17Å; A74-F77 WeakPolarHBondContact O-CB 3.41Å; A74-F77 PolarHBondContact O-N 3.26Å; A74-L78 PolarHBondContact O-N 3.27Å; A74-M232 HydrophobicContact CB-CB 4.21Å; A74-M232 HydrophobicContact CB-CG 4.38Å; A74-V233 VanDerWaalsContact CB-O 3.24Å; A74-V233 WeakPolarHBondContact CB-O 3.46Å; A74-F234 HydrophobicContact CB-CD1 3.72Å; A74-F234 HydrophobicContact CB-CD2 4.14Å; A74-F234 HydrophobicContact CB-CE1 3.58Å; A74-F234 HydrophobicContact CB-CE2 4.01Å; A74-F234 HydrophobicContact CB-CG 3.99Å; A74-F234 HydrophobicContact CB-CZ 3.73Å
75V94.9Very high86.6Confident12 Ų1265.6 Ų65.67%0.07335%0.353CS..Hα-helixtrans-66.7-41.8178.1-176.90000111.6A70 S71 D72 E73 F77 L78 T79 R207A70-V75 HydrophobicContact CB-CG2 4.04Å; S71-V75 PolarHBondContact O-N 3.41Å; S71-V75 VanDerWaalsContact O-N 3.08Å; D72-V75 PolarHBondContact O-N 3.39Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-V75 PolarHBondContact O-N 3.3Å; V75-F77 VanDerWaalsContact C-N 3.25Å; V75-F77 PolarHBondContact O-N 3.01Å; V75-L78 PolarHBondContact O-N 2.63Å; V75-T79 PolarHBondContact O-N 3.43Å; V75-T79 VanDerWaalsContact O-N 3.12Å; V75-T79 PolarHBondContact O-OG1 3.43Å; V75-R207 HydrophobicContact CG1-CG 4.26Å; V75-R207 VanDerWaalsContact CG1-NH2 3.34Å; V75-R207 HydrophobicContact CG2-CG 4.04Å
76S94.4Very high88.7Confident74 Ų7460.9 Ų60.952%0.51733%0.332SS..Hα-helixtrans-61.9-33.7175.3-175.70000112.2D72 E73 T79 S80D72-S76 WeakPolarHBondContact O-CB 3.19Å; D72-S76 PolarHBondContact O-N 3.49Å; E73-S76 PolarHBondContact O-N 3.2Å; S76-T79 PolarHBondContact O-OG1 3.45Å; S76-S80 VanDerWaalsContact O-CB 3.26Å; S76-S80 WeakPolarHBondContact O-CB 3.46Å; S76-S80 PolarHBondContact O-N 2.83Å; S76-S80 VanDerWaalsContact O-N 3.1Å; S76-S80 PolarHBondContact O-OG 3.24Å
77F95.1Very high90.7Very high13 Ų1363.8 Ų63.86%0.05733%0.334CS..Hα-helixtrans-63.8-47.7173.7-175.6-83.9000111.6E73 A74 V75 T79 S80 L218 M222 R225 P229 M232E73-F77 PolarHBondContact O-N 2.85Å; A74-F77 WeakPolarHBondContact O-CB 3.41Å; A74-F77 PolarHBondContact O-N 3.26Å; V75-F77 VanDerWaalsContact C-N 3.25Å; V75-F77 PolarHBondContact O-N 3.01Å; F77-T79 VanDerWaalsContact C-N 3.34Å; F77-T79 PolarHBondContact O-N 3.28Å; F77-S80 WeakPolarHBondContact O-CB 3.5Å; F77-S80 PolarHBondContact O-N 2.85Å; F77-S80 VanDerWaalsContact O-N 3.11Å; F77-S80 PolarHBondContact O-OG 3.34Å; F77-L218 HydrophobicContact CD1-CD1 3.84Å; F77-L218 HydrophobicContact CE1-CD1 3.47Å; F77-L218 VanDerWaalsContact CE1-CD1 3.47Å; F77-L218 HydrophobicContact CZ-CD1 4.49Å; F77-M222 HydrophobicContact CE1-CE 4.47Å; F77-M222 HydrophobicContact CE1-CG 4.43Å; F77-M222 HydrophobicContact CE2-CG 4.49Å; F77-M222 HydrophobicContact CZ-CG 3.85Å; F77-R225 VanDerWaalsContact CE2-NH1 3.28Å; F77-P229 HydrophobicContact CD2-CG 3.53Å; F77-P229 HydrophobicContact CE2-CG 3.66Å; F77-M232 HydrophobicContact CB-CE 3.68Å; F77-M232 HydrophobicContact CB-SD 3.68Å; F77-M232 HydrophobicContact CD2-CE 4.08Å; F77-M232 HydrophobicContact CD2-SD 4.21Å; F77-M232 HydrophobicContact CG-CE 4.27Å; F77-M232 HydrophobicContact CG-SD 4.09Å
78L95.4Very high91.9Very high15 Ų1563.7 Ų63.78%0.07933%0.331CS..Hα-helixtrans-60.6-42.8-179.7-67.4175.6000111.9A74 V75 S80 I81 L150 L218 F234A74-L78 PolarHBondContact O-N 3.27Å; V75-L78 PolarHBondContact O-N 2.63Å; L78-S80 PolarHBondContact O-N 2.96Å; L78-I81 HydrophobicContact CD2-CD1 4.47Å; L78-I81 VanDerWaalsContact O-CD1 3.31Å; L78-I81 WeakPolarHBondContact O-CD1 3.42Å; L78-I81 VanDerWaalsContact O-CG1 3.26Å; L78-I81 WeakPolarHBondContact O-CG1 3.43Å; L78-I81 PolarHBondContact O-N 3.05Å; L78-L150 HydrophobicContact CD2-CB 4.31Å; L78-L150 HydrophobicContact CD2-CD1 4.39Å; L78-L218 HydrophobicContact CD2-CD1 4.04Å; L78-F234 HydrophobicContact CD1-CD1 4.33Å; L78-F234 HydrophobicContact CD1-CE1 4.09Å; L78-F234 HydrophobicContact CD2-CE1 4.11Å; L78-F234 HydrophobicContact CG-CE1 3.95Å
79T94.4Very high92.5Very high86 Ų8660.7 Ų60.753%0.52832%0.318SS..Hα-helixtrans-77.7-7.217861.30000114V75 S76 F77V75-T79 PolarHBondContact O-N 3.43Å; V75-T79 VanDerWaalsContact O-N 3.12Å; V75-T79 PolarHBondContact O-OG1 3.43Å; S76-T79 PolarHBondContact O-OG1 3.45Å; F77-T79 VanDerWaalsContact C-N 3.34Å; F77-T79 PolarHBondContact O-N 3.28Å
80S94.9Very high92.4Very high43 Ų4357.1 Ų57.130%0.30131%0.306SS..THydrogen-bonded Turntrans-89.72.1175.975.80000113.7S76 F77 L78 E82 R225S76-S80 VanDerWaalsContact O-CB 3.26Å; S76-S80 WeakPolarHBondContact O-CB 3.46Å; S76-S80 PolarHBondContact O-N 2.83Å; S76-S80 VanDerWaalsContact O-N 3.1Å; S76-S80 PolarHBondContact O-OG 3.24Å; F77-S80 WeakPolarHBondContact O-CB 3.5Å; F77-S80 PolarHBondContact O-N 2.85Å; F77-S80 VanDerWaalsContact O-N 3.11Å; F77-S80 PolarHBondContact O-OG 3.34Å; L78-S80 PolarHBondContact O-N 2.96Å; S80-E82 PolarHBondContact O-N 3.21Å; S80-R225 PolarHBondContact O-NH2 2.86Å; S80-R225 PolarHBondContact OG-NH1 2.76Å
81I94.9Very high92Very high11 Ų1157.2 Ų57.26%0.05630%0.303CS..  trans-72.2116.5-176.1-63.4169000108.6L78 L86 L150 L221L78-I81 HydrophobicContact CD2-CD1 4.47Å; L78-I81 VanDerWaalsContact O-CD1 3.31Å; L78-I81 WeakPolarHBondContact O-CD1 3.42Å; L78-I81 VanDerWaalsContact O-CG1 3.26Å; L78-I81 WeakPolarHBondContact O-CG1 3.43Å; L78-I81 PolarHBondContact O-N 3.05Å; I81-L86 HydrophobicContact CG2-CB 4.43Å; I81-L150 HydrophobicContact CD1-CD1 3.99Å; I81-L150 HydrophobicContact CD1-CG 3.76Å; I81-L221 HydrophobicContact CD1-CD1 3.57Å; I81-L221 HydrophobicContact CG1-CD1 3.98Å; I81-L221 HydrophobicContact CG2-CD1 4.02Å; I81-L221 HydrophobicContact CG2-CD2 4.36Å
82E92.1Very high91.6Very high109 Ų10959.6 Ų59.651%0.50932%0.32SS..  trans-80.4144.6179.3-62.9-65.4157.200110.5S80 E84 E85 L86S80-E82 PolarHBondContact O-N 3.21Å; E82-E84 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact O-N 3.16Å; E82-E85 HydrophobicContact CB-CG 4.22Å; E82-E85 PolarHBondContact N-OE2 2.94Å; E82-E85 VanDerWaalsContact N-OE2 3.13Å; E82-E85 WeakPolarHBondContact O-CB 3.25Å; E82-E85 PolarHBondContact O-N 3.35Å; E82-L86 PolarHBondContact O-N 2.87Å; E82-L86 VanDerWaalsContact O-N 3.11Å
83P89.5Confident91.4Very high87 Ų8754.7 Ų54.757%0.56529%0.293SS*.Hα-helixtrans-53.8-36.3177.7-27.735.7000113.9E85 L86 Q87P83-E85 VanDerWaalsContact C-N 3.3Å; P83-E85 PolarHBondContact O-N 2.87Å; P83-L86 PolarHBondContact O-N 2.9Å; P83-Q87 PolarHBondContact O-N 3.31Å
84E89.8Confident91.3Very high117 Ų11752.1 Ų52.155%0.54729%0.285SS..Hα-helixtrans-68.5-28.1177.5-63.677.5-170.200112.9E82 K88E82-E84 PolarHBondContact O-N 3.46Å; E82-E84 VanDerWaalsContact O-N 3.16Å; E84-K88 WeakPolarHBondContact O-CG 3.2Å
85E90.6Very high91.2Very high34 Ų3452.2 Ų52.216%0.15929%0.285CS..Hα-helixtrans-73.8-44173.1-66-180111.500110.4E82 P83 Q87 K88 C89 L221 R225E82-E85 HydrophobicContact CB-CG 4.22Å; E82-E85 PolarHBondContact N-OE2 2.94Å; E82-E85 VanDerWaalsContact N-OE2 3.13Å; E82-E85 WeakPolarHBondContact O-CB 3.25Å; E82-E85 PolarHBondContact O-N 3.35Å; P83-E85 VanDerWaalsContact C-N 3.3Å; P83-E85 PolarHBondContact O-N 2.87Å; E85-Q87 PolarHBondContact O-N 3.3Å; E85-K88 WeakPolarHBondContact O-CB 3.49Å; E85-K88 PolarHBondContact O-N 3.02Å; E85-C89 PolarHBondContact O-N 3.22Å; E85-L221 HydrophobicContact CB-CD2 3.99Å; E85-R225 VanDerWaalsContact OE1-CG 3.29Å; E85-R225 WeakPolarHBondContact OE1-CG 3.01Å; E85-R225 IonicContact OE1-CZ 3.85Å; E85-R225 IonicContact OE1-NE 3.65Å; E85-R225 PolarHBondContact OE1-NE 3.25Å; E85-R225 IonicContact OE1-NH2 2.7Å; E85-R225 IonicContact OE2-CZ 2.73Å; E85-R225 IonicContact OE2-NE 2.9Å; E85-R225 PolarHBondContact OE2-NE 3.29Å; E85-R225 IonicContact OE2-NH2 3.27Å; E85-R225 PolarHBondContact OE2-NH2 3.42Å
86L89.6Confident91.1Very high11 Ų1153.9 Ų53.96%0.05829%0.293CS..Hα-helixtrans-62.1-34.8176.2-169.663.5000111.8I81 E82 P83 K88 C89 F114 V123 A148 L150I81-L86 HydrophobicContact CG2-CB 4.43Å; E82-L86 PolarHBondContact O-N 2.87Å; E82-L86 VanDerWaalsContact O-N 3.11Å; P83-L86 PolarHBondContact O-N 2.9Å; L86-K88 VanDerWaalsContact C-N 3.28Å; L86-K88 PolarHBondContact O-N 2.91Å; L86-C89 CarbonylContact O-C 3.57Å; L86-C89 WeakPolarHBondContact O-CA 3.41Å; L86-C89 VanDerWaalsContact O-CB 3.31Å; L86-C89 WeakPolarHBondContact O-CB 3.44Å; L86-C89 PolarHBondContact O-N 2.88Å; L86-F114 HydrophobicContact CD2-CE1 4.08Å; L86-F114 HydrophobicContact CG-CE1 4.11Å; L86-F114 HydrophobicContact CG-CZ 4.44Å; L86-V123 HydrophobicContact CD1-CG1 4.19Å; L86-V123 HydrophobicContact CD2-CG1 3.99Å; L86-V123 HydrophobicContact CG-CG1 4.09Å; L86-A148 HydrophobicContact CD2-CB 4.11Å; L86-L150 HydrophobicContact CD1-CD2 4.41Å
87Q89.3Confident91Very high128 Ų12850.7 Ų50.760%0.59827%0.271SS*.Hα-helixtrans-61.1-34.5173.3-172.9176.85.700112.9P83 E85 C89 V90 F114P83-Q87 PolarHBondContact O-N 3.31Å; E85-Q87 PolarHBondContact O-N 3.3Å; Q87-C89 PolarHBondContact O-N 3.41Å; Q87-V90 PolarHBondContact O-N 3.4Å; Q87-F114 HydrophobicContact CB-CE2 4.37Å; Q87-F114 HydrophobicContact CB-CZ 4.29Å; Q87-F114 HydrophobicContact CG-CE2 4.3Å
88K88.4Confident90.8Very high136 Ų13651.4 Ų51.459%0.59128%0.275SS*.Hα-helixtrans-72.5-15.8174-64170.3-171.8170.70112.5E84 E85 L86 V90 L224E84-K88 WeakPolarHBondContact O-CG 3.2Å; E85-K88 WeakPolarHBondContact O-CB 3.49Å; E85-K88 PolarHBondContact O-N 3.02Å; L86-K88 VanDerWaalsContact C-N 3.28Å; L86-K88 PolarHBondContact O-N 2.91Å; K88-V90 VanDerWaalsContact C-N 3.34Å; K88-L224 HydrophobicContact CB-CD1 3.96Å
89C87.3Confident90.5Very high0 Ų051.8 Ų51.80%028%0.278CS..THydrogen-bonded Turntrans-89.77.7174.1-69.40000113.5E85 L86 Q87 F91 V112 L217 L221E85-C89 PolarHBondContact O-N 3.22Å; L86-C89 CarbonylContact O-C 3.57Å; L86-C89 WeakPolarHBondContact O-CA 3.41Å; L86-C89 VanDerWaalsContact O-CB 3.31Å; L86-C89 WeakPolarHBondContact O-CB 3.44Å; L86-C89 PolarHBondContact O-N 2.88Å; Q87-C89 PolarHBondContact O-N 3.41Å; C89-F91 WeakPolarHBondContact O-CD1 3.44Å; C89-F91 WeakPolarHBondContact O-CE1 3.48Å; C89-V112 WeakPolarHBondContact O-CB 3.44Å; C89-V112 WeakPolarHBondContact O-CG1 3.25Å; C89-L217 HydrophobicContact CB-CD2 3.88Å; C89-L221 VanDerWaalsContact SG-CD2 3.52Å
90V88.3Confident90.1Very high60 Ų6054.9 Ų54.936%0.36429%0.287SS..  trans-85.1110163.5174.50000108.8Q87 K88 V112 F114Q87-V90 PolarHBondContact O-N 3.4Å; K88-V90 VanDerWaalsContact C-N 3.34Å; V90-V112 WeakPolarHBondContact CA-O 3.44Å; V90-V112 WeakPolarHBondContact CG1-O 3.41Å; V90-F114 HydrophobicContact CG2-CD2 3.57Å; V90-F114 HydrophobicContact CG2-CE1 4.44Å; V90-F114 HydrophobicContact CG2-CE2 3.38Å; V90-F114 HydrophobicContact CG2-CG 4.2Å; V90-F114 HydrophobicContact CG2-CZ 3.86Å
91F84.8Confident89.6Confident17 Ų1758.3 Ų58.38%0.07531%0.311CS..EExtended strand (participates in β ladder)trans-154.5170.3-175.563.7-87.8000111.4C89 E93 V110 S111 V112 L217 R220C89-F91 WeakPolarHBondContact O-CD1 3.44Å; C89-F91 WeakPolarHBondContact O-CE1 3.48Å; F91-E93 HydrophobicContact CD2-CB 4.44Å; F91-E93 HydrophobicContact CD2-CG 4.11Å; F91-E93 HydrophobicContact CE2-CG 4.04Å; F91-V110 HydrophobicContact CE2-CB 4.04Å; F91-V110 HydrophobicContact CE2-CG1 3.8Å; F91-V110 HydrophobicContact CZ-CG1 3.91Å; F91-S111 CarbonylContact O-C 3.55Å; F91-S111 VanDerWaalsContact O-CA 3.31Å; F91-S111 WeakPolarHBondContact O-CA 3.41Å; F91-V112 HydrophobicContact CD1-CB 4.32Å; F91-V112 HydrophobicContact CD1-CG2 4.22Å; F91-V112 HydrophobicContact CE1-CB 4.04Å; F91-V112 HydrophobicContact CE1-CG2 3.49Å; F91-V112 VanDerWaalsContact CE1-CG2 3.49Å; F91-V112 HydrophobicContact CE2-CG2 4.35Å; F91-V112 HydrophobicContact CZ-CB 4.48Å; F91-V112 HydrophobicContact CZ-CG2 3.57Å; F91-V112 PolarHBondContact N-O 2.77Å; F91-V112 PolarHBondContact O-N 3.43Å; F91-L217 HydrophobicContact CE1-CD2 4.17Å; F91-R220 VanDerWaalsContact CD1-CZ 3.45Å; F91-R220 VanDerWaalsContact CD2-NH1 3.29Å
92S88.2Confident89Confident71 Ų7160 Ų6050%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-139133.1163.4175.40000108.1V110S92-V110 WeakPolarHBondContact CA-O 3.49Å
93E89.6Confident88.7Confident13 Ų1356.3 Ų56.36%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-145.8154.8179.372.3-172.7-175.200111.7F91 L95 S109 V110 R220 Y291 L292F91-E93 HydrophobicContact CD2-CB 4.44Å; F91-E93 HydrophobicContact CD2-CG 4.11Å; F91-E93 HydrophobicContact CE2-CG 4.04Å; E93-L95 HydrophobicContact CG-CD1 4.15Å; E93-S109 CarbonylContact O-C 3.56Å; E93-S109 VanDerWaalsContact O-CA 3.3Å; E93-S109 WeakPolarHBondContact O-CA 3.11Å; E93-V110 HydrophobicContact CG-CB 4.43Å; E93-V110 PolarHBondContact N-O 3.37Å; E93-V110 PolarHBondContact O-N 3.31Å; E93-R220 IonicContact OE1-NH2 3.64Å; E93-R220 PolarHBondContact OE1-NH2 2.86Å; E93-R220 IonicContact OE2-CZ 2.68Å; E93-R220 IonicContact OE2-NH1 3.58Å; E93-R220 IonicContact OE2-NH2 3.45Å; E93-R220 PolarHBondContact OE2-NH2 2.81Å; E93-Y291 HydrophobicContact CB-CD1 3.84Å; E93-Y291 HydrophobicContact CB-CE1 4.07Å; E93-Y291 WeakPolarHBondContact OE2-CA 3.48Å; E93-Y291 VanDerWaalsContact OE2-CD1 3.32Å; E93-Y291 WeakPolarHBondContact OE2-CD1 3.03Å; E93-L292 WeakPolarHBondContact OE1-CB 3.36Å; E93-L292 PolarHBondContact OE2-N 2.88Å
94T90.8Very high88.7Confident58 Ų5856.6 Ų56.636%0.35632%0.318SS..EExtended strand (participates in β ladder)trans-136.6134179.2-60.40000109.3E107 F108T94-E107 HydrophobicContact CG2-CG 3.26Å; T94-E107 WeakPolarHBondContact CG2-OE1 3.18Å; T94-F108 CarbonylContact C-O 3.52Å; T94-F108 WeakPolarHBondContact CA-O 3.48Å
95L92.5Very high88.8Confident1 Ų153.4 Ų53.41%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-122.6149.5176.4-74.575.7000108.7E93 F108 L292 M304 F306E93-L95 HydrophobicContact CG-CD1 4.15Å; L95-F108 HydrophobicContact CB-CB 4.5Å; L95-F108 HydrophobicContact CB-CD1 4.36Å; L95-F108 HydrophobicContact CD1-CD1 4.39Å; L95-F108 PolarHBondContact N-O 2.88Å; L95-F108 PolarHBondContact O-N 2.88Å; L95-L292 HydrophobicContact CD1-CB 4.29Å; L95-L292 HydrophobicContact CD1-CD2 4.3Å; L95-L292 HydrophobicContact CD2-CB 4.45Å; L95-L292 HydrophobicContact CD2-CD2 3.89Å; L95-L292 HydrophobicContact CD2-CG 3.94Å; L95-M304 HydrophobicContact CB-CB 4.31Å; L95-M304 HydrophobicContact CD2-CB 4.18Å; L95-F306 HydrophobicContact CG-CB 4.38Å
96M92.3Very high88.9Confident47 Ų4752.4 Ų52.423%0.23230%0.303CS..EExtended strand (participates in β ladder)trans-88.1135.7173.1-58.4-52.6-65.300109.8M98 I104 G106 M304 K305 I307M96-M98 HydrophobicContact CB-CG 4.46Å; M96-I104 HydrophobicContact CE-CD1 4.33Å; M96-I104 HydrophobicContact CE-CG2 3.31Å; M96-G106 WeakPolarHBondContact CE-O 3.2Å; M96-M304 CarbonylContact O-C 3.55Å; M96-M304 WeakPolarHBondContact O-CA 3.39Å; M96-K305 PolarHBondContact N-O 2.87Å; M96-K305 PolarHBondContact O-N 3.43Å; M96-I307 HydrophobicContact CB-CD1 3.59Å; M96-I307 HydrophobicContact CB-CG1 4Å; M96-I307 HydrophobicContact CG-CB 4.15Å; M96-I307 HydrophobicContact CG-CD1 3.72Å; M96-I307 HydrophobicContact CG-CG1 3.98Å
97V92.7Very high89.1Confident8 Ų855 Ų555%0.04832%0.315CS..EExtended strand (participates in β ladder)trans-81.4118.4171.6-177.60000107.2L105 G106 F108 V302 M304V97-L105 HydrophobicContact CG1-CB 4.24Å; V97-L105 PolarHBondContact O-N 3.22Å; V97-G106 PolarHBondContact N-O 3.13Å; V97-G106 PolarHBondContact O-N 2.87Å; V97-F108 HydrophobicContact CG2-CB 4.21Å; V97-V302 HydrophobicContact CB-CG1 4.49Å; V97-V302 HydrophobicContact CG1-CG1 3.14Å; V97-M304 HydrophobicContact CG2-CG 4.13Å
98M90.9Very high89.3Confident28 Ų2849.3 Ų49.314%0.13829%0.288CS..EExtended strand (participates in β ladder)trans-120.3145.2-176.1-61.1-164.3-55.300112.8M96 G103 V302 T303 K305 I307M96-M98 HydrophobicContact CB-CG 4.46Å; M98-G103 CarbonylContact C-O 3.53Å; M98-G103 WeakPolarHBondContact CA-O 3.36Å; M98-V302 CarbonylContact O-C 3.57Å; M98-V302 WeakPolarHBondContact O-CA 3.39Å; M98-T303 PolarHBondContact N-O 3.24Å; M98-T303 PolarHBondContact O-N 3.15Å; M98-K305 HydrophobicContact CE-CB 3.91Å; M98-K305 HydrophobicContact CE-CD 3.51Å; M98-K305 HydrophobicContact CE-CG 3.75Å; M98-I307 HydrophobicContact CG-CD1 4.15Å; M98-I307 HydrophobicContact SD-CD1 3.48Å; M98-I307 WeakPolarHBondContact SD-CD1 3.38Å; M98-I307 HydrophobicContact SD-CG1 4.32Å
99S90.6Very high89.6Confident23 Ų2344 Ų4416%0.16127%0.269CS..EExtended strand (participates in β ladder)trans-72.6166.7167.168.60000111.8S101 G102 G103S99-S101 PolarHBondContact O-N 2.76Å; S99-S101 PolarHBondContact OG-N 2.75Å; S99-S101 PolarHBondContact OG-OG 3.25Å; S99-G102 PolarHBondContact O-N 2.92Å; S99-G102 PolarHBondContact OG-N 3.38Å; S99-G103 PolarHBondContact N-O 3.45Å; S99-G103 PolarHBondContact OG-N 3.4Å; S99-G103 PolarHBondContact OG-O 2.97Å
100E85.5Confident90Very high151 Ų15144.3 Ų44.371%0.70627%0.271SS*.THydrogen-bonded Turntrans-58.5-31.1170.9-57.4-163.414800113.2G102 P301E100-G102 PolarHBondContact O-N 3.12Å; E100-P301 HydrophobicContact CG-CB 4.1Å; E100-P301 WeakPolarHBondContact CG-O 3.5Å; E100-P301 PolarHBondContact N-O 2.65Å
101S84.3Confident90.3Very high114 Ų11442.8 Ų42.880%0.79726%0.263SS*.THydrogen-bonded Turntrans-75.9-2.9175.456.20000113.9S99S99-S101 PolarHBondContact O-N 2.76Å; S99-S101 PolarHBondContact OG-N 2.75Å; S99-S101 PolarHBondContact OG-OG 3.25Å
102G82.2Confident90.7Very high47 Ų4742.1 Ų42.149%0.48526%0.26SS..SBendtrans82.59.7-179.200000114.5S99 E100S99-G102 PolarHBondContact O-N 2.92Å; S99-G102 PolarHBondContact OG-N 3.38Å; E100-G102 PolarHBondContact O-N 3.12Å
103G85.7Confident91Very high32 Ų3243.4 Ų43.433%0.3326%0.258SS..  trans-73141.2172.900000111.1M98 S99M98-G103 CarbonylContact C-O 3.53Å; M98-G103 WeakPolarHBondContact CA-O 3.36Å; S99-G103 PolarHBondContact N-O 3.45Å; S99-G103 PolarHBondContact OG-N 3.4Å; S99-G103 PolarHBondContact OG-O 2.97Å
104I89.8Confident91.1Very high93 Ų9348.1 Ų48.148%0.47728%0.278SS..EExtended strand (participates in β ladder)trans-80121.8174.6-64.8170.3000108.4M96M96-I104 HydrophobicContact CE-CD1 4.33Å; M96-I104 HydrophobicContact CE-CG2 3.31Å
105L92.1Very high91.3Very high49 Ų4947.5 Ų47.526%0.25728%0.275SS..EExtended strand (participates in β ladder)trans-103.6-21.1-179.6-58.5-178.6000112.6V97 G131 A132 I133 V302V97-L105 HydrophobicContact CG1-CB 4.24Å; V97-L105 PolarHBondContact O-N 3.22Å; L105-G131 CarbonylContact O-C 3.56Å; L105-G131 WeakPolarHBondContact O-CA 2.99Å; L105-A132 PolarHBondContact O-N 3.38Å; L105-I133 HydrophobicContact CD1-CG1 4.42Å; L105-V302 HydrophobicContact CD1-CG2 3.85Å
106G91.9Very high91.1Very high13 Ų1353.4 Ų53.413%0.13430%0.302CS..EExtended strand (participates in β ladder)trans170.2-159.6-174.300000113.5M96 V97 H130M96-G106 WeakPolarHBondContact CE-O 3.2Å; V97-G106 PolarHBondContact N-O 3.13Å; V97-G106 PolarHBondContact O-N 2.87Å; G106-H130 CarbonylContact C-O 3.52Å; G106-H130 WeakPolarHBondContact CA-O 3.43Å
107E93.4Very high90.8Very high66 Ų6654.8 Ų54.831%0.30830%0.304SS..EExtended strand (participates in β ladder)trans-136.3140.7-174.4-172.4-176.510900111.2T94 S129 H130T94-E107 HydrophobicContact CG2-CG 3.26Å; T94-E107 WeakPolarHBondContact CG2-OE1 3.18Å; E107-S129 CarbonylContact O-C 3.54Å; E107-S129 WeakPolarHBondContact O-CA 3.31Å; E107-H130 PolarHBondContact N-O 3.18Å; E107-H130 PolarHBondContact O-N 2.86Å
108F95Very high90.3Very high8 Ų858.8 Ų58.84%0.03534%0.339CS..EExtended strand (participates in β ladder)trans-117.3127.8169173.6-106.1000108.9T94 L95 V97 V110 R128 M216 L292 M304T94-F108 CarbonylContact C-O 3.52Å; T94-F108 WeakPolarHBondContact CA-O 3.48Å; L95-F108 HydrophobicContact CB-CB 4.5Å; L95-F108 HydrophobicContact CB-CD1 4.36Å; L95-F108 HydrophobicContact CD1-CD1 4.39Å; L95-F108 PolarHBondContact N-O 2.88Å; L95-F108 PolarHBondContact O-N 2.88Å; V97-F108 HydrophobicContact CG2-CB 4.21Å; F108-V110 HydrophobicContact CD1-CG2 4.34Å; F108-V110 HydrophobicContact CE1-CG2 3.37Å; F108-V110 HydrophobicContact CE2-CG2 3.99Å; F108-V110 HydrophobicContact CZ-CG2 3.17Å; F108-R128 CarbonylContact C-O 3.41Å; F108-R128 VanDerWaalsContact CA-O 3.29Å; F108-R128 WeakPolarHBondContact CA-O 3.31Å; F108-M216 HydrophobicContact CZ-SD 4.27Å; F108-L292 HydrophobicContact CE1-CD2 3.91Å; F108-M304 HydrophobicContact CB-CB 4.49Å; F108-M304 HydrophobicContact CB-CE 4.33Å; F108-M304 HydrophobicContact CB-CG 3.94Å; F108-M304 HydrophobicContact CB-SD 3.94Å; F108-M304 HydrophobicContact CD1-SD 4.02Å; F108-M304 HydrophobicContact CD2-CE 4.11Å; F108-M304 HydrophobicContact CD2-SD 3.97Å; F108-M304 HydrophobicContact CE2-SD 4.48Å; F108-M304 HydrophobicContact CG-CE 4.28Å; F108-M304 HydrophobicContact CG-CG 4.31Å; F108-M304 HydrophobicContact CG-SD 3.7Å
109S94.1Very high89.8Confident26 Ų2665.3 Ų65.318%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-130.114717860.40000110.7E93 A127 R128E93-S109 CarbonylContact O-C 3.56Å; E93-S109 VanDerWaalsContact O-CA 3.3Å; E93-S109 WeakPolarHBondContact O-CA 3.11Å; S109-A127 CarbonylContact O-C 3.52Å; S109-A127 VanDerWaalsContact O-CA 3.27Å; S109-A127 WeakPolarHBondContact O-CA 3.21Å; S109-R128 PolarHBondContact N-O 3.46Å; S109-R128 PolarHBondContact O-N 3.09Å
110V95.1Very high89.5Confident6 Ų669.6 Ų69.64%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-138.2137.4173.5-174.70000108.6F91 S92 E93 F108 L125 H126 A127 M216F91-V110 HydrophobicContact CE2-CB 4.04Å; F91-V110 HydrophobicContact CE2-CG1 3.8Å; F91-V110 HydrophobicContact CZ-CG1 3.91Å; S92-V110 WeakPolarHBondContact CA-O 3.49Å; E93-V110 HydrophobicContact CG-CB 4.43Å; E93-V110 PolarHBondContact N-O 3.37Å; E93-V110 PolarHBondContact O-N 3.31Å; F108-V110 HydrophobicContact CD1-CG2 4.34Å; F108-V110 HydrophobicContact CE1-CG2 3.37Å; F108-V110 HydrophobicContact CE2-CG2 3.99Å; F108-V110 HydrophobicContact CZ-CG2 3.17Å; V110-L125 HydrophobicContact CG1-CD1 4.15Å; V110-L125 HydrophobicContact CG1-CG 4.23Å; V110-H126 CarbonylContact C-O 3.59Å; V110-H126 WeakPolarHBondContact CA-O 3.32Å; V110-A127 HydrophobicContact CG1-CB 4.35Å; V110-A127 HydrophobicContact CG2-CB 3.9Å; V110-M216 HydrophobicContact CG2-SD 4.16Å
111S94.7Very high89.8Confident28 Ų2867.2 Ų67.220%0.19639%0.388CS..EExtended strand (participates in β ladder)trans-135145173.356.60000110.2F91 L125 H126F91-S111 CarbonylContact O-C 3.55Å; F91-S111 VanDerWaalsContact O-CA 3.31Å; F91-S111 WeakPolarHBondContact O-CA 3.41Å; S111-L125 CarbonylContact O-C 3.59Å; S111-L125 WeakPolarHBondContact O-CA 3.44Å; S111-H126 PolarHBondContact N-O 3.08Å; S111-H126 PolarHBondContact O-N 3.02Å; S111-H126 PolarHBondContact OG-O 3.25Å
112V93.7Very high90.3Very high2 Ų262.1 Ų62.11%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-137129.2178.1-178.20000108.7C89 V90 F91 V123 I124 L125 L217C89-V112 WeakPolarHBondContact O-CB 3.44Å; C89-V112 WeakPolarHBondContact O-CG1 3.25Å; V90-V112 WeakPolarHBondContact CA-O 3.44Å; V90-V112 WeakPolarHBondContact CG1-O 3.41Å; F91-V112 HydrophobicContact CD1-CB 4.32Å; F91-V112 HydrophobicContact CD1-CG2 4.22Å; F91-V112 HydrophobicContact CE1-CB 4.04Å; F91-V112 HydrophobicContact CE1-CG2 3.49Å; F91-V112 VanDerWaalsContact CE1-CG2 3.49Å; F91-V112 HydrophobicContact CE2-CG2 4.35Å; F91-V112 HydrophobicContact CZ-CB 4.48Å; F91-V112 HydrophobicContact CZ-CG2 3.57Å; F91-V112 PolarHBondContact N-O 2.77Å; F91-V112 PolarHBondContact O-N 3.43Å; V112-V123 HydrophobicContact CG1-CB 4.27Å; V112-I124 VanDerWaalsContact CA-O 3.27Å; V112-I124 WeakPolarHBondContact CA-O 3.44Å; V112-L125 HydrophobicContact CG2-CB 4.15Å; V112-L125 HydrophobicContact CG2-CD1 3.84Å; V112-L125 HydrophobicContact CG2-CG 4.02Å; V112-L217 HydrophobicContact CG1-CD1 4.4Å; V112-L217 HydrophobicContact CG1-CD2 4.13Å; V112-L217 HydrophobicContact CG2-CD2 3.79Å
113E94.6Very high91Very high98 Ų9859.9 Ų59.946%0.45833%0.33SS..EExtended strand (participates in β ladder)trans-136.5151.4-179.8-57.8-169.6166.900111V123 I124E113-V123 CarbonylContact O-C 3.6Å; E113-V123 WeakPolarHBondContact O-CA 3.4Å; E113-I124 HydrophobicContact CB-CG2 4.05Å; E113-I124 PolarHBondContact N-O 3.38Å; E113-I124 PolarHBondContact O-N 2.85Å
114F92.4Very high91.5Very high113 Ų11360.1 Ų60.150%0.49632%0.323SS..EExtended strand (participates in β ladder)trans-74.4136.3167.9-71.7-61.7000110.1L86 Q87 V90 V123L86-F114 HydrophobicContact CD2-CE1 4.08Å; L86-F114 HydrophobicContact CG-CE1 4.11Å; L86-F114 HydrophobicContact CG-CZ 4.44Å; Q87-F114 HydrophobicContact CB-CE2 4.37Å; Q87-F114 HydrophobicContact CB-CZ 4.29Å; Q87-F114 HydrophobicContact CG-CE2 4.3Å; V90-F114 HydrophobicContact CG2-CD2 3.57Å; V90-F114 HydrophobicContact CG2-CE1 4.44Å; V90-F114 HydrophobicContact CG2-CE2 3.38Å; V90-F114 HydrophobicContact CG2-CG 4.2Å; V90-F114 HydrophobicContact CG2-CZ 3.86Å; F114-V123 HydrophobicContact CD1-CG1 3.55Å; F114-V123 HydrophobicContact CE1-CG1 3.63Å
115T93.1Very high91.9Very high45 Ų4555.7 Ų55.728%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-149.6-170.1178.3-165.40000110.8C122 I124 Y145T115-C122 VanDerWaalsContact CG2-SG 3.57Å; T115-C122 PolarHBondContact N-O 3.01Å; T115-C122 PolarHBondContact O-N 3.25Å; T115-I124 HydrophobicContact CG2-CB 3.74Å; T115-I124 HydrophobicContact CG2-CG2 3.77Å; T115-Y145 HydrophobicContact CG2-CD1 4.07Å; T115-Y145 HydrophobicContact CG2-CE1 4.11Å
116H88.7Confident92.1Very high124 Ų12456.8 Ų56.857%0.57430%0.304SS*.EExtended strand (participates in β ladder)trans-129.3142.8170.8-58.673.1000109.6E120H116-E120 CarbonylContact C-O 3.55Å; H116-E120 WeakPolarHBondContact CA-O 3.46Å
117R85.8Confident92.4Very high76 Ų7656.3 Ų56.329%0.28730%0.299SS..EExtended strand (participates in β ladder)trans-125.7127.6169.6-166.774.8-179.9-166.88107.9L119 E120 C122 Y145 L153 E154R117-L119 PolarHBondContact O-N 2.96Å; R117-L119 VanDerWaalsContact O-N 3.09Å; R117-E120 PolarHBondContact N-O 3.17Å; R117-E120 WeakPolarHBondContact O-CB 3.32Å; R117-E120 PolarHBondContact O-N 2.84Å; R117-C122 PolarHBondContact N-SG 3.09Å; R117-Y145 HydrophobicContact CB-CD1 4.16Å; R117-Y145 HydrophobicContact CG-CD1 4.32Å; R117-Y145 HydrophobicContact CG-CG 4.44Å; R117-Y145 PolarHBondContact NH1-OH 2.93Å; R117-L153 HydrophobicContact CB-CD1 4.2Å; R117-E154 IonicContact CZ-OE1 3.07Å; R117-E154 IonicContact CZ-OE2 2.76Å; R117-E154 IonicContact NE-OE2 2.76Å; R117-E154 PolarHBondContact NE-OE2 2.99Å; R117-E154 VanDerWaalsContact NE-OE2 3.07Å; R117-E154 IonicContact NH1-OE1 3.99Å; R117-E154 IonicContact NH2-OE1 2.65Å; R117-E154 PolarHBondContact NH2-OE1 3.19Å; R117-E154 IonicContact NH2-OE2 3.86Å; R117-E154 PolarHBondContact NH2-OE2 2.83Å
118A82Confident92.5Very high93 Ų9356.2 Ų56.277%0.76930%0.295SS*.THydrogen-bonded Turntrans49.735.9-175.200000114.4E120A118-E120 PolarHBondContact O-N 2.81Å
119L81.9Confident92.5Very high164 Ų16456.9 Ų56.986%0.85930%0.301SS*.THydrogen-bonded Turntrans72.10.5-175.3-51.7169.5000115.8R117R117-L119 PolarHBondContact O-N 2.96Å; R117-L119 VanDerWaalsContact O-N 3.09Å
120E84.3Confident92.4Very high114 Ų11458.6 Ų58.653%0.53331%0.306SS..EExtended strand (participates in β ladder)trans-89.1130174-62.6-174.4173.400110.2H116 R117 A118 C122H116-E120 CarbonylContact C-O 3.55Å; H116-E120 WeakPolarHBondContact CA-O 3.46Å; R117-E120 PolarHBondContact N-O 3.17Å; R117-E120 WeakPolarHBondContact O-CB 3.32Å; R117-E120 PolarHBondContact O-N 2.84Å; A118-E120 PolarHBondContact O-N 2.81Å; E120-C122 PolarHBondContact O-N 2.89Å
121P91.6Very high92.2Very high100 Ų10059.2 Ų59.265%0.64931%0.314SS*.EExtended strand (participates in β ladder)trans-61.4131173.9-21.332.5000111.2
122C95Very high92Very high7 Ų759.7 Ų59.75%0.04732%0.319CS..EExtended strand (participates in β ladder)trans-149.5178.1-179.965.10000110.9T115 R117 E120 L146 L153T115-C122 VanDerWaalsContact CG2-SG 3.57Å; T115-C122 PolarHBondContact N-O 3.01Å; T115-C122 PolarHBondContact O-N 3.25Å; R117-C122 PolarHBondContact N-SG 3.09Å; E120-C122 PolarHBondContact O-N 2.89Å; C122-L146 WeakPolarHBondContact CA-O 3.17Å; C122-L146 WeakPolarHBondContact CB-O 3.24Å; C122-L153 HydrophobicContact CB-CD1 3.82Å
123V95.5Very high91.6Very high1 Ų162.5 Ų62.51%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-108.5141.1166.9-64.10000109.4L86 V112 E113 F114 Y145 L146 L217L86-V123 HydrophobicContact CD1-CG1 4.19Å; L86-V123 HydrophobicContact CD2-CG1 3.99Å; L86-V123 HydrophobicContact CG-CG1 4.09Å; V112-V123 HydrophobicContact CG1-CB 4.27Å; E113-V123 CarbonylContact O-C 3.6Å; E113-V123 WeakPolarHBondContact O-CA 3.4Å; F114-V123 HydrophobicContact CD1-CG1 3.55Å; F114-V123 HydrophobicContact CE1-CG1 3.63Å; V123-Y145 CarbonylContact O-C 3.56Å; V123-Y145 WeakPolarHBondContact O-CA 3.14Å; V123-L146 HydrophobicContact CG2-CB 3.79Å; V123-L146 PolarHBondContact N-O 3.47Å; V123-L146 PolarHBondContact O-N 2.9Å; V123-L217 HydrophobicContact CG2-CD1 3.77Å
124I97.1Very high91.1Very high37 Ų3765.4 Ų65.419%0.1935%0.352CS..EExtended strand (participates in β ladder)trans-102.6125.3167-174.8174.6000108.2V112 E113 T115 T143 A144 Y145V112-I124 VanDerWaalsContact CA-O 3.27Å; V112-I124 WeakPolarHBondContact CA-O 3.44Å; E113-I124 HydrophobicContact CB-CG2 4.05Å; E113-I124 PolarHBondContact N-O 3.38Å; E113-I124 PolarHBondContact O-N 2.85Å; T115-I124 HydrophobicContact CG2-CB 3.74Å; T115-I124 HydrophobicContact CG2-CG2 3.77Å; I124-T143 HydrophobicContact CD1-CG2 4Å; I124-T143 HydrophobicContact CG1-CG2 4.17Å; I124-A144 CarbonylContact C-O 3.49Å; I124-A144 WeakPolarHBondContact CA-O 3.4Å; I124-Y145 HydrophobicContact CB-CD1 4.27Å; I124-Y145 HydrophobicContact CB-CE1 4.19Å; I124-Y145 HydrophobicContact CD1-CE1 3.75Å; I124-Y145 HydrophobicContact CD1-CE2 4.26Å; I124-Y145 WeakPolarHBondContact CD1-OH 3.35Å; I124-Y145 HydrophobicContact CG1-CD1 4.4Å; I124-Y145 HydrophobicContact CG1-CE1 4.09Å
125L97.6Very high90.7Very high0 Ų063.3 Ų63.30%036%0.362CS..EExtended strand (participates in β ladder)trans-104.8131.2167.7178147000108.5V110 S111 V112 A127 T143 A144 M216 L217V110-L125 HydrophobicContact CG1-CD1 4.15Å; V110-L125 HydrophobicContact CG1-CG 4.23Å; S111-L125 CarbonylContact O-C 3.59Å; S111-L125 WeakPolarHBondContact O-CA 3.44Å; V112-L125 HydrophobicContact CG2-CB 4.15Å; V112-L125 HydrophobicContact CG2-CD1 3.84Å; V112-L125 HydrophobicContact CG2-CG 4.02Å; L125-A127 HydrophobicContact CD2-CB 3.96Å; L125-T143 CarbonylContact O-C 3.48Å; L125-T143 VanDerWaalsContact O-CA 3.32Å; L125-T143 WeakPolarHBondContact O-CA 3.24Å; L125-A144 PolarHBondContact N-O 3.48Å; L125-A144 PolarHBondContact O-N 2.95Å; L125-M216 HydrophobicContact CD1-CB 3.88Å; L125-M216 HydrophobicContact CD2-SD 4.44Å; L125-L217 HydrophobicContact CD1-CD2 4.35Å; L125-L217 HydrophobicContact CD1-CG 3.83Å
126H97.8Very high90.5Very high72 Ų7262.2 Ų62.233%0.33336%0.357SS..EExtended strand (participates in β ladder)trans-126.2116.4171.4177.7-121000109.3V110 S111 V142 T143V110-H126 CarbonylContact C-O 3.59Å; V110-H126 WeakPolarHBondContact CA-O 3.32Å; S111-H126 PolarHBondContact N-O 3.08Å; S111-H126 PolarHBondContact O-N 3.02Å; S111-H126 PolarHBondContact OG-O 3.25Å; H126-V142 CarbonylContact C-O 3.59Å; H126-V142 WeakPolarHBondContact CA-O 3.33Å; H126-T143 PolarHBondContact CD2-OG1 2.94Å
127A97Very high90.7Very high3 Ų359.1 Ų59.13%0.02535%0.347CS..EExtended strand (participates in β ladder)trans-121136.1179.200000110.6S109 V110 L125 T141 V142 M216S109-A127 CarbonylContact O-C 3.52Å; S109-A127 VanDerWaalsContact O-CA 3.27Å; S109-A127 WeakPolarHBondContact O-CA 3.21Å; V110-A127 HydrophobicContact CG1-CB 4.35Å; V110-A127 HydrophobicContact CG2-CB 3.9Å; L125-A127 HydrophobicContact CD2-CB 3.96Å; A127-T141 CarbonylContact O-C 3.51Å; A127-T141 WeakPolarHBondContact O-CA 3.4Å; A127-V142 HydrophobicContact CB-CB 4.45Å; A127-V142 PolarHBondContact N-O 3.43Å; A127-V142 PolarHBondContact O-N 2.88Å; A127-M216 HydrophobicContact CB-CE 3.84Å; A127-M216 HydrophobicContact CB-SD 3.68Å
128R96.4Very high91Very high63 Ų6356.5 Ų56.524%0.23834%0.34CS..EExtended strand (participates in β ladder)trans-137.7125.7179.2-176.9-177.8178.3166.44.4110.3F108 S109 T140 E333F108-R128 CarbonylContact C-O 3.41Å; F108-R128 VanDerWaalsContact CA-O 3.29Å; F108-R128 WeakPolarHBondContact CA-O 3.31Å; S109-R128 PolarHBondContact N-O 3.46Å; S109-R128 PolarHBondContact O-N 3.09Å; R128-T140 CarbonylContact C-O 3.57Å; R128-T140 WeakPolarHBondContact CA-O 3.48Å; R128-E333 IonicContact CZ-OE2 3.61Å; R128-E333 VanDerWaalsContact CZ-OE2 3.27Å; R128-E333 IonicContact NH1-OE2 3.66Å; R128-E333 PolarHBondContact NH1-OE2 3.3Å; R128-E333 IonicContact NH2-OE1 2.78Å; R128-E333 IonicContact NH2-OE2 3Å; R128-E333 PolarHBondContact NH2-OE2 3.5Å
129S93.8Very high91.6Very high22 Ų2252.3 Ų52.315%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-111.5131.2164.6-168.60000108.3E107 G139 T140E107-S129 CarbonylContact O-C 3.54Å; E107-S129 WeakPolarHBondContact O-CA 3.31Å; S129-G139 CarbonylContact O-C 3.59Å; S129-G139 WeakPolarHBondContact O-CA 3.34Å; S129-T140 PolarHBondContact N-O 3.26Å; S129-T140 PolarHBondContact O-N 2.86Å
130H93.1Very high92.3Very high63 Ų6346.2 Ų46.229%0.29228%0.276SS..EExtended strand (participates in β ladder)trans-147.4148.7171.267.7-80.2000110.4G106 E107 C138G106-H130 CarbonylContact C-O 3.52Å; G106-H130 WeakPolarHBondContact CA-O 3.43Å; E107-H130 PolarHBondContact N-O 3.18Å; E107-H130 PolarHBondContact O-N 2.86Å; H130-C138 WeakPolarHBondContact CA-O 3.21Å
131G90.6Very high92.9Very high19 Ų1942.3 Ų42.320%0.19626%0.26CS..EExtended strand (participates in β ladder)trans176.7-167178.800000112.1L105 P137 C138L105-G131 CarbonylContact O-C 3.56Å; L105-G131 WeakPolarHBondContact O-CA 2.99Å; G131-P137 CarbonylContact O-C 3.55Å; G131-P137 WeakPolarHBondContact O-CA 3.37Å; G131-C138 PolarHBondContact N-O 2.87Å; G131-C138 PolarHBondContact O-N 3.23Å; G131-C138 VanDerWaalsContact O-O 3.12Å
132A89.5Confident93.3Very high37 Ų3737.8 Ų37.831%0.30623%0.231SC..EExtended strand (participates in β ladder)trans-127.7123.2170.200000109.9L105 S136L105-A132 PolarHBondContact O-N 3.38Å; A132-S136 VanDerWaalsContact CA-O 3.3Å; A132-S136 WeakPolarHBondContact CA-O 3.27Å
133I85.4Confident93.4Very high62 Ų6238.9 Ų38.932%0.31824%0.237SC..EExtended strand (participates in β ladder)trans-107.2125.1174.3-59.7173.9000106.7L105 G135 S136 V302L105-I133 HydrophobicContact CD1-CG1 4.42Å; I133-G135 PolarHBondContact O-N 2.84Å; I133-G135 VanDerWaalsContact O-N 3.15Å; I133-S136 PolarHBondContact N-O 2.83Å; I133-S136 WeakPolarHBondContact O-CB 3.19Å; I133-S136 PolarHBondContact O-N 3.28Å; I133-V302 HydrophobicContact CD1-CG2 3.92Å; I133-V302 HydrophobicContact CG1-CG2 4.22Å
134D85.1Confident93.5Very high158 Ų15838.8 Ų38.885%0.84524%0.237SC*.THydrogen-bonded Turntrans50.737.9-175-59.3-31.4000113.4S136D134-S136 PolarHBondContact O-N 2.84Å
135G84Confident93.6Very high69 Ų6938.6 Ų38.671%0.71123%0.234SC*.THydrogen-bonded Turntrans79.9-8.6-178.500000115I133 P137I133-G135 PolarHBondContact O-N 2.84Å; I133-G135 VanDerWaalsContact O-N 3.15Å; G135-P137 WeakPolarHBondContact O-CD 3.34Å
136S88.9Confident93.6Very high23 Ų2338.6 Ų38.616%0.16123%0.234CC..EExtended strand (participates in β ladder)trans-91116.9-177.7-59.50000110.8A132 I133 D134 C138 K162 L163A132-S136 VanDerWaalsContact CA-O 3.3Å; A132-S136 WeakPolarHBondContact CA-O 3.27Å; I133-S136 PolarHBondContact N-O 2.83Å; I133-S136 WeakPolarHBondContact O-CB 3.19Å; I133-S136 PolarHBondContact O-N 3.28Å; D134-S136 PolarHBondContact O-N 2.84Å; S136-C138 PolarHBondContact O-N 2.85Å; S136-K162 WeakPolarHBondContact CB-O 3.41Å; S136-L163 WeakPolarHBondContact OG-CD2 3.31Å
137P91.9Very high93.5Very high58 Ų5836.6 Ų36.638%0.37723%0.227SC..EExtended strand (participates in β ladder)trans-62.8129.6177.7-22.232.7000111.8G131 G135 K162G131-P137 CarbonylContact O-C 3.55Å; G131-P137 WeakPolarHBondContact O-CA 3.37Å; G135-P137 WeakPolarHBondContact O-CD 3.34Å; P137-K162 HydrophobicContact CB-CB 4.26Å; P137-K162 HydrophobicContact CB-CD 4.31Å; P137-K162 HydrophobicContact CG-CB 4.37Å; P137-K162 PolarHBondContact O-N 2.97Å
138C93.4Very high93.3Very high21 Ų2138.9 Ų38.914%0.14225%0.245CC..EExtended strand (participates in β ladder)trans-144.1161.6176.862.20000111.6H130 G131 S136 Y160 V161H130-C138 WeakPolarHBondContact CA-O 3.21Å; G131-C138 PolarHBondContact N-O 2.87Å; G131-C138 PolarHBondContact O-N 3.23Å; G131-C138 VanDerWaalsContact O-O 3.12Å; S136-C138 PolarHBondContact O-N 2.85Å; C138-Y160 CarbonylContact C-O 3.6Å; C138-Y160 WeakPolarHBondContact CA-O 3.39Å; C138-Y160 WeakPolarHBondContact CB-O 3.46Å; C138-V161 HydrophobicContact CB-CB 4.34Å; C138-V161 HydrophobicContact CB-CG1 4.26Å; C138-V161 HydrophobicContact CB-CG2 3.98Å
139G94.5Very high93.3Very high6 Ų639 Ų396%0.06225%0.251CS..EExtended strand (participates in β ladder)trans-175167.3178.600000114S129 E159 Y160S129-G139 CarbonylContact O-C 3.59Å; S129-G139 WeakPolarHBondContact O-CA 3.34Å; G139-E159 CarbonylContact O-C 3.46Å; G139-E159 VanDerWaalsContact O-CA 3.3Å; G139-E159 WeakPolarHBondContact O-CA 3.32Å; G139-Y160 PolarHBondContact N-O 3.4Å; G139-Y160 PolarHBondContact O-N 3.08Å
140T95.7Very high93.4Very high36 Ų3638.1 Ų38.122%0.22125%0.245CC..EExtended strand (participates in β ladder)trans-138.4135.6176.7-46.60000108.5R128 S129 V142 Y157 H158 E159R128-T140 CarbonylContact C-O 3.57Å; R128-T140 WeakPolarHBondContact CA-O 3.48Å; S129-T140 PolarHBondContact N-O 3.26Å; S129-T140 PolarHBondContact O-N 2.86Å; T140-V142 HydrophobicContact CG2-CG2 4.28Å; T140-Y157 HydrophobicContact CG2-CE1 4.34Å; T140-Y157 HydrophobicContact CG2-CE2 3.66Å; T140-Y157 WeakPolarHBondContact CG2-OH 3.3Å; T140-H158 CarbonylContact C-O 3.52Å; T140-H158 WeakPolarHBondContact CA-O 3.37Å; T140-E159 HydrophobicContact CG2-CB 4.46Å
141T97.8Very high93.5Very high32 Ų3239.3 Ų39.320%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-126.9134.1172.9-540000108.6A127 H158A127-T141 CarbonylContact O-C 3.51Å; A127-T141 WeakPolarHBondContact O-CA 3.4Å; T141-H158 PolarHBondContact N-O 2.93Å; T141-H158 PolarHBondContact O-N 3.27Å
142V98.3Very high93.8Very high4 Ų438.5 Ų38.52%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-131.6125.1177.1-175.40000108.4H126 A127 T140 E155 D156 Y157 E212H126-V142 CarbonylContact C-O 3.59Å; H126-V142 WeakPolarHBondContact CA-O 3.33Å; A127-V142 HydrophobicContact CB-CB 4.45Å; A127-V142 PolarHBondContact N-O 3.43Å; A127-V142 PolarHBondContact O-N 2.88Å; T140-V142 HydrophobicContact CG2-CG2 4.28Å; V142-E155 HydrophobicContact CG1-CG 4.01Å; V142-D156 CarbonylContact C-O 3.58Å; V142-D156 VanDerWaalsContact CA-O 3.32Å; V142-D156 WeakPolarHBondContact CA-O 3.36Å; V142-Y157 HydrophobicContact CG2-CD2 3.65Å; V142-Y157 HydrophobicContact CG2-CE2 3.98Å; V142-E212 HydrophobicContact CG1-CB 4.41Å; V142-E212 HydrophobicContact CG2-CB 4.31Å
143T98.3Very high94.2Very high30 Ų3037.6 Ų37.618%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-120.9116.6170.2-540000108.3I124 L125 H126 Y145 E155 D156I124-T143 HydrophobicContact CD1-CG2 4Å; I124-T143 HydrophobicContact CG1-CG2 4.17Å; L125-T143 CarbonylContact O-C 3.48Å; L125-T143 VanDerWaalsContact O-CA 3.32Å; L125-T143 WeakPolarHBondContact O-CA 3.24Å; H126-T143 PolarHBondContact CD2-OG1 2.94Å; T143-Y145 HydrophobicContact CG2-CE2 4.2Å; T143-E155 CarbonylContact O-C 3.55Å; T143-E155 VanDerWaalsContact O-CA 3.27Å; T143-E155 WeakPolarHBondContact O-CA 3.21Å; T143-D156 PolarHBondContact N-O 3.31Å; T143-D156 PolarHBondContact O-N 2.86Å
144A98.3Very high94.7Very high0 Ų035.8 Ų35.80%022%0.222CC..EExtended strand (participates in β ladder)trans-127130.8-176.200000111.4I124 L125 L146 E154 E155I124-A144 CarbonylContact C-O 3.49Å; I124-A144 WeakPolarHBondContact CA-O 3.4Å; L125-A144 PolarHBondContact N-O 3.48Å; L125-A144 PolarHBondContact O-N 2.95Å; A144-L146 HydrophobicContact CB-CD1 4.38Å; A144-L146 HydrophobicContact CB-CD2 4.04Å; A144-L146 HydrophobicContact CB-CG 4.1Å; A144-E154 CarbonylContact C-O 3.6Å; A144-E154 WeakPolarHBondContact CA-O 3.36Å; A144-E155 HydrophobicContact CB-CB 4.26Å; A144-E155 HydrophobicContact CB-CG 4.01Å; A144-E155 WeakPolarHBondContact CB-OE2 3.46Å
145Y97.8Very high95.4Very high33 Ų3328.9 Ų28.913%0.12918%0.184CC..EExtended strand (participates in β ladder)trans-98.3118.1168.8-64.9-94.5000108.2T115 R117 V123 I124 T143 L153 E154T115-Y145 HydrophobicContact CG2-CD1 4.07Å; T115-Y145 HydrophobicContact CG2-CE1 4.11Å; R117-Y145 HydrophobicContact CB-CD1 4.16Å; R117-Y145 HydrophobicContact CG-CD1 4.32Å; R117-Y145 HydrophobicContact CG-CG 4.44Å; R117-Y145 PolarHBondContact NH1-OH 2.93Å; V123-Y145 CarbonylContact O-C 3.56Å; V123-Y145 WeakPolarHBondContact O-CA 3.14Å; I124-Y145 HydrophobicContact CB-CD1 4.27Å; I124-Y145 HydrophobicContact CB-CE1 4.19Å; I124-Y145 HydrophobicContact CD1-CE1 3.75Å; I124-Y145 HydrophobicContact CD1-CE2 4.26Å; I124-Y145 WeakPolarHBondContact CD1-OH 3.35Å; I124-Y145 HydrophobicContact CG1-CD1 4.4Å; I124-Y145 HydrophobicContact CG1-CE1 4.09Å; T143-Y145 HydrophobicContact CG2-CE2 4.2Å; Y145-L153 WeakPolarHBondContact O-CB 3.38Å; Y145-L153 PolarHBondContact O-N 3.48Å; Y145-E154 HydrophobicContact CD2-CB 4.09Å; Y145-E154 PolarHBondContact N-O 2.94Å; Y145-E154 PolarHBondContact O-N 3.37Å
146L97.3Very high96Very high0 Ų028.7 Ų28.70%017%0.167CC..EExtended strand (participates in β ladder)trans-126.5140.8-170.6-52.2169.4000110.7C122 V123 A144 E151 V152 L217C122-L146 WeakPolarHBondContact CA-O 3.17Å; C122-L146 WeakPolarHBondContact CB-O 3.24Å; V123-L146 HydrophobicContact CG2-CB 3.79Å; V123-L146 PolarHBondContact N-O 3.47Å; V123-L146 PolarHBondContact O-N 2.9Å; A144-L146 HydrophobicContact CB-CD1 4.38Å; A144-L146 HydrophobicContact CB-CD2 4.04Å; A144-L146 HydrophobicContact CB-CG 4.1Å; L146-E151 CarbonylContact C-O 3.54Å; L146-E151 VanDerWaalsContact CA-O 3.31Å; L146-E151 WeakPolarHBondContact CA-O 3.34Å; L146-V152 HydrophobicContact CD2-CB 3.88Å; L146-V152 HydrophobicContact CD2-CG2 4.14Å; L146-L217 HydrophobicContact CD1-CD1 3.69Å; L146-L217 HydrophobicContact CD1-CG 4.47Å
147T95.7Very high96.4Very high29 Ų2929.2 Ų29.218%0.17817%0.166CC..  trans-70.2176.4171.570.20000111.3D149 L150 E151 L153T147-D149 PolarHBondContact O-N 3.35Å; T147-D149 PolarHBondContact OG1-N 3.4Å; T147-L150 PolarHBondContact O-N 2.8Å; T147-E151 HydrophobicContact CG2-CB 4.1Å; T147-E151 PolarHBondContact N-O 2.73Å; T147-E151 VanDerWaalsContact OG1-CB 3.32Å; T147-E151 WeakPolarHBondContact OG1-CB 3.46Å; T147-E151 PolarHBondContact OG1-N 2.88Å; T147-E151 VanDerWaalsContact OG1-N 3.08Å; T147-L153 HydrophobicContact CG2-CD1 4.2Å; T147-L153 HydrophobicContact CG2-CD2 3.63Å; T147-L153 HydrophobicContact CG2-CG 3.85Å
148A94.4Very high96.6Very high51 Ų5128.9 Ų28.942%0.42116%0.159SC..THydrogen-bonded Turntrans-60.4-30.7174.900000113L86 L150L86-A148 HydrophobicContact CD2-CB 4.11Å; A148-L150 PolarHBondContact O-N 3.24Å
149D95.3Very high96.7Very high67 Ų6731.1 Ų31.136%0.35817%0.167SC..THydrogen-bonded Turntrans-88.412.8177.5-57.8-21.6000112T147 E151T147-D149 PolarHBondContact O-N 3.35Å; T147-D149 PolarHBondContact OG1-N 3.4Å; D149-E151 PolarHBondContact O-N 3.15Å
150L96.4Very high96.7Very high3 Ų333.3 Ų33.32%0.01617%0.174CC..  trans6120.3-176.4-50.3-175.7000115.4L78 I81 L86 T147 A148 V152 S214 L217 L218 L221L78-L150 HydrophobicContact CD2-CB 4.31Å; L78-L150 HydrophobicContact CD2-CD1 4.39Å; I81-L150 HydrophobicContact CD1-CD1 3.99Å; I81-L150 HydrophobicContact CD1-CG 3.76Å; L86-L150 HydrophobicContact CD1-CD2 4.41Å; T147-L150 PolarHBondContact O-N 2.8Å; A148-L150 PolarHBondContact O-N 3.24Å; L150-V152 PolarHBondContact O-N 3.34Å; L150-S214 WeakPolarHBondContact O-CB 3.47Å; L150-L217 HydrophobicContact CD1-CB 4.12Å; L150-L217 HydrophobicContact CD2-CB 3.94Å; L150-L217 HydrophobicContact CD2-CD1 3.79Å; L150-L218 HydrophobicContact CD1-CB 3.9Å; L150-L218 HydrophobicContact CD1-CD1 4.24Å; L150-L221 HydrophobicContact CD1-CD1 3.87Å; L150-L221 HydrophobicContact CG-CD1 4.44Å
151E96.1Very high96.5Very high87 Ų8734.1 Ų34.141%0.40718%0.179SC..  trans-68.1130.9169.5-168.9-177.985.800109.3L146 T147 D149 L153 Q176 M203L146-E151 CarbonylContact C-O 3.54Å; L146-E151 VanDerWaalsContact CA-O 3.31Å; L146-E151 WeakPolarHBondContact CA-O 3.34Å; T147-E151 HydrophobicContact CG2-CB 4.1Å; T147-E151 PolarHBondContact N-O 2.73Å; T147-E151 VanDerWaalsContact OG1-CB 3.32Å; T147-E151 WeakPolarHBondContact OG1-CB 3.46Å; T147-E151 PolarHBondContact OG1-N 2.88Å; T147-E151 VanDerWaalsContact OG1-N 3.08Å; D149-E151 PolarHBondContact O-N 3.15Å; E151-L153 PolarHBondContact O-N 2.73Å; E151-Q176 PolarHBondContact OE1-NE2 2.74Å; E151-M203 HydrophobicContact CG-CE 4.03Å
152V96.9Very high96.1Very high3 Ų338 Ų382%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-76.4118.8-179.661.70000110.7L146 L150 E155 M174 Q176 M181 L209 T211L146-V152 HydrophobicContact CD2-CB 3.88Å; L146-V152 HydrophobicContact CD2-CG2 4.14Å; L150-V152 PolarHBondContact O-N 3.34Å; V152-E155 HydrophobicContact CG2-CB 3.76Å; V152-M174 HydrophobicContact CG1-SD 3.64Å; V152-M174 HydrophobicContact CG2-SD 4.23Å; V152-Q176 WeakPolarHBondContact O-CG 3.03Å; V152-Q176 PolarHBondContact O-NE2 3.36Å; V152-M181 HydrophobicContact CG1-CE 3.63Å; V152-M181 WeakPolarHBondContact O-CE 3.44Å; V152-L209 HydrophobicContact CG1-CD2 4.01Å; V152-T211 HydrophobicContact CB-CG2 4.08Å; V152-T211 HydrophobicContact CG1-CG2 3.76Å; V152-T211 HydrophobicContact CG2-CG2 4.28Å
153L96.5Very high95.5Very high17 Ų1740.1 Ų40.19%0.08920%0.204CC..EExtended strand (participates in β ladder)trans-82.4-42.1171.2-61.8176.6000110.4R117 C122 Y145 T147 E151 Q176R117-L153 HydrophobicContact CB-CD1 4.2Å; C122-L153 HydrophobicContact CB-CD1 3.82Å; Y145-L153 WeakPolarHBondContact O-CB 3.38Å; Y145-L153 PolarHBondContact O-N 3.48Å; T147-L153 HydrophobicContact CG2-CD1 4.2Å; T147-L153 HydrophobicContact CG2-CD2 3.63Å; T147-L153 HydrophobicContact CG2-CG 3.85Å; E151-L153 PolarHBondContact O-N 2.73Å; L153-Q176 PolarHBondContact O-N 2.91Å
154E97.1Very high94.5Very high24 Ų2447 Ų4711%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-159.5138.2179.7-171.8170.714500109.8R117 A144 Y145 H173 M174 V175R117-E154 IonicContact CZ-OE1 3.07Å; R117-E154 IonicContact CZ-OE2 2.76Å; R117-E154 IonicContact NE-OE2 2.76Å; R117-E154 PolarHBondContact NE-OE2 2.99Å; R117-E154 VanDerWaalsContact NE-OE2 3.07Å; R117-E154 IonicContact NH1-OE1 3.99Å; R117-E154 IonicContact NH2-OE1 2.65Å; R117-E154 PolarHBondContact NH2-OE1 3.19Å; R117-E154 IonicContact NH2-OE2 3.86Å; R117-E154 PolarHBondContact NH2-OE2 2.83Å; A144-E154 CarbonylContact C-O 3.6Å; A144-E154 WeakPolarHBondContact CA-O 3.36Å; Y145-E154 HydrophobicContact CD2-CB 4.09Å; Y145-E154 PolarHBondContact N-O 2.94Å; Y145-E154 PolarHBondContact O-N 3.37Å; E154-H173 IonicContact OE1-CE1 2.74Å; E154-H173 PolarHBondContact OE1-CE1 2.86Å; E154-M174 CarbonylContact C-O 3.58Å; E154-M174 WeakPolarHBondContact CA-O 3.39Å; E154-M174 WeakPolarHBondContact CG-O 3.18Å; E154-V175 HydrophobicContact CB-CG2 4.3Å; E154-V175 HydrophobicContact CG-CB 4.1Å; E154-V175 HydrophobicContact CG-CG2 4.05Å
155E98.3Very high93.4Very high13 Ų1352.1 Ų52.16%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-139.2126.9173.9-176.7170.4110.400111.1V142 T143 A144 V152 M174 T211 G213V142-E155 HydrophobicContact CG1-CG 4.01Å; T143-E155 CarbonylContact O-C 3.55Å; T143-E155 VanDerWaalsContact O-CA 3.27Å; T143-E155 WeakPolarHBondContact O-CA 3.21Å; A144-E155 HydrophobicContact CB-CB 4.26Å; A144-E155 HydrophobicContact CB-CG 4.01Å; A144-E155 WeakPolarHBondContact CB-OE2 3.46Å; V152-E155 HydrophobicContact CG2-CB 3.76Å; E155-M174 HydrophobicContact CB-CB 4.42Å; E155-M174 PolarHBondContact N-O 2.89Å; E155-M174 PolarHBondContact O-N 3Å; E155-T211 WeakPolarHBondContact OE1-CB 3.2Å; E155-T211 WeakPolarHBondContact OE2-CB 3.46Å; E155-T211 PolarHBondContact OE2-OG1 2.87Å; E155-G213 WeakPolarHBondContact OE2-CA 3.28Å; E155-G213 PolarHBondContact OE2-N 2.9Å
156D97.9Very high92.5Very high65 Ų6556.6 Ų56.635%0.34829%0.293SS..EExtended strand (participates in β ladder)trans-101.3122.7167.9-70.6-59.6000109.1V142 T143 H173V142-D156 CarbonylContact C-O 3.58Å; V142-D156 VanDerWaalsContact CA-O 3.32Å; V142-D156 WeakPolarHBondContact CA-O 3.36Å; T143-D156 PolarHBondContact N-O 3.31Å; T143-D156 PolarHBondContact O-N 2.86Å; D156-H173 IonicContact OD1-CE1 3.53Å; D156-H173 IonicContact OD1-CG 3.6Å; D156-H173 IonicContact OD1-ND1 3.07Å; D156-H173 PolarHBondContact OD1-ND1 3.47Å
157Y97.2Very high92Very high35 Ų3560.6 Ų60.614%0.13731%0.314CS..EExtended strand (participates in β ladder)trans-118133.7175.1-178.6-77.1000109.6T140 V142 E159 K170 R171 S172 E212T140-Y157 HydrophobicContact CG2-CE1 4.34Å; T140-Y157 HydrophobicContact CG2-CE2 3.66Å; T140-Y157 WeakPolarHBondContact CG2-OH 3.3Å; V142-Y157 HydrophobicContact CG2-CD2 3.65Å; V142-Y157 HydrophobicContact CG2-CE2 3.98Å; Y157-E159 HydrophobicContact CE1-CB 3.53Å; Y157-E159 PolarHBondContact OH-OE1 2.84Å; Y157-K170 HydrophobicContact CD1-CG 4.22Å; Y157-K170 HydrophobicContact CE1-CD 3.98Å; Y157-K170 HydrophobicContact CE1-CG 3.88Å; Y157-K170 VanDerWaalsContact CE1-NZ 3.34Å; Y157-K170 PolarHBondContact OH-NZ 2.88Å; Y157-R171 CarbonylContact O-C 3.59Å; Y157-R171 VanDerWaalsContact O-CA 3.28Å; Y157-R171 WeakPolarHBondContact O-CA 3.48Å; Y157-S172 PolarHBondContact N-O 2.81Å; Y157-S172 PolarHBondContact O-N 3.47Å; Y157-E212 HydrophobicContact CD2-CG 4.47Å; Y157-E212 HydrophobicContact CE2-CG 4.22Å
158H96.3Very high91.8Very high51 Ų5161.4 Ų61.424%0.23632%0.319CS..EExtended strand (participates in β ladder)trans-138.9127.7173.8172.2-151000109.9T140 T141 Y160 E169 K170 R171T140-H158 CarbonylContact C-O 3.52Å; T140-H158 WeakPolarHBondContact CA-O 3.37Å; T141-H158 PolarHBondContact N-O 2.93Å; T141-H158 PolarHBondContact O-N 3.27Å; H158-Y160 AromaticContact CE1-CD1 3.91Å; H158-Y160 AromaticContact NE2-CD1 3.88Å; H158-E169 IonicContact CD2-OE1 3.73Å; H158-E169 IonicContact CE1-OE1 3.04Å; H158-E169 IonicContact NE2-OE1 3.42Å; H158-E169 PolarHBondContact NE2-OE1 2.8Å; H158-K170 CarbonylContact C-O 3.56Å; H158-K170 WeakPolarHBondContact CA-O 3.21Å; H158-R171 HydrophobicContact CB-CG 4.46Å
159E95.4Very high91.7Very high67 Ų6761.5 Ų61.531%0.31331%0.311SS..EExtended strand (participates in β ladder)trans-128.6140.8172.2176.8173.9-11800109.9G139 T140 Y157 E169 K170G139-E159 CarbonylContact O-C 3.46Å; G139-E159 VanDerWaalsContact O-CA 3.3Å; G139-E159 WeakPolarHBondContact O-CA 3.32Å; T140-E159 HydrophobicContact CG2-CB 4.46Å; Y157-E159 HydrophobicContact CE1-CB 3.53Å; Y157-E159 PolarHBondContact OH-OE1 2.84Å; E159-E169 CarbonylContact O-C 3.57Å; E159-E169 WeakPolarHBondContact O-CA 3.32Å; E159-K170 HydrophobicContact CB-CD 4.3Å; E159-K170 HydrophobicContact CB-CG 4.14Å; E159-K170 PolarHBondContact N-O 2.93Å; E159-K170 PolarHBondContact O-N 3.07Å; E159-K170 WeakPolarHBondContact OE2-CD 3.34Å; E159-K170 IonicContact OE2-NZ 3.9Å; E159-K170 PolarHBondContact OE2-NZ 3.37Å
160Y93.8Very high91.7Very high53 Ų5360.7 Ų60.721%0.20830%0.304CS..EExtended strand (participates in β ladder)trans-141.8150.7176.270.8-90000111.9C138 G139 H158 K162 V168C138-Y160 CarbonylContact C-O 3.6Å; C138-Y160 WeakPolarHBondContact CA-O 3.39Å; C138-Y160 WeakPolarHBondContact CB-O 3.46Å; G139-Y160 PolarHBondContact N-O 3.4Å; G139-Y160 PolarHBondContact O-N 3.08Å; H158-Y160 AromaticContact CE1-CD1 3.91Å; H158-Y160 AromaticContact NE2-CD1 3.88Å; Y160-K162 HydrophobicContact CD2-CG 4.2Å; Y160-V168 CarbonylContact C-O 3.59Å; Y160-V168 VanDerWaalsContact CA-O 3.25Å; Y160-V168 WeakPolarHBondContact CA-O 3.38Å
161V92.6Very high91.6Very high52 Ų5266.8 Ų66.832%0.31533%0.327SS..EExtended strand (participates in β ladder)trans-137.6125.2168.2-173.20000107.7C138 L163 V168C138-V161 HydrophobicContact CB-CB 4.34Å; C138-V161 HydrophobicContact CB-CG1 4.26Å; C138-V161 HydrophobicContact CB-CG2 3.98Å; V161-L163 HydrophobicContact CG1-CD1 4.36Å; V161-L163 HydrophobicContact CG1-CD2 4.04Å; V161-L163 HydrophobicContact CG1-CG 3.99Å; V161-V168 PolarHBondContact N-O 3.25Å; V161-V168 PolarHBondContact O-N 3.15Å
162K88.9Confident91.6Very high113 Ų11363.9 Ų63.949%0.49132%0.316SS..EExtended strand (participates in β ladder)trans-102.9110.9177.4-62.9-175.7-178.7-178.30109.5S136 P137 Y160 N167S136-K162 WeakPolarHBondContact CB-O 3.41Å; P137-K162 HydrophobicContact CB-CB 4.26Å; P137-K162 HydrophobicContact CB-CD 4.31Å; P137-K162 HydrophobicContact CG-CB 4.37Å; P137-K162 PolarHBondContact O-N 2.97Å; Y160-K162 HydrophobicContact CD2-CG 4.2Å; K162-N167 VanDerWaalsContact CA-OD1 3.22Å; K162-N167 WeakPolarHBondContact CA-OD1 3.5Å; K162-N167 WeakPolarHBondContact CB-OD1 3.48Å
163L84.7Confident91.6Very high49 Ų4966.1 Ų66.126%0.25733%0.326SS..EExtended strand (participates in β ladder)trans-111.1156.5176-53.1159.7000108.7S136 V161 S165 Y166S136-L163 WeakPolarHBondContact OG-CD2 3.31Å; V161-L163 HydrophobicContact CG1-CD1 4.36Å; V161-L163 HydrophobicContact CG1-CD2 4.04Å; V161-L163 HydrophobicContact CG1-CG 3.99Å; L163-S165 PolarHBondContact O-N 2.94Å; L163-Y166 WeakPolarHBondContact CA-O 3.46Å; L163-Y166 HydrophobicContact CB-CD1 4.38Å; L163-Y166 HydrophobicContact CB-CE1 4.29Å; L163-Y166 WeakPolarHBondContact CB-O 3.39Å; L163-Y166 HydrophobicContact CD1-CD1 4.46Å; L163-Y166 HydrophobicContact CD1-CD2 3.78Å; L163-Y166 HydrophobicContact CD1-CE1 3.92Å; L163-Y166 HydrophobicContact CD1-CE2 3.17Å; L163-Y166 HydrophobicContact CD1-CG 4.39Å; L163-Y166 WeakPolarHBondContact CD1-OH 3.27Å; L163-Y166 HydrophobicContact CG-CE2 4.46Å; L163-Y166 PolarHBondContact N-O 2.89Å; L163-Y166 VanDerWaalsContact N-O 3.14Å; L163-Y166 PolarHBondContact O-N 3.06Å
164D77.9Confident91.7Very high176 Ų17666 Ų6694%0.94133%0.325SS*.THydrogen-bonded Turntrans-55.8-29-171.6-67.6-26.5000114.3
165S74.3Confident91.6Very high107 Ų10765.6 Ų65.675%0.74833%0.325SS*.THydrogen-bonded Turntrans-121.1-4.9-175.4520000114.9L163L163-S165 PolarHBondContact O-N 2.94Å
166Y80.5Confident91.5Very high126 Ų12667.4 Ų67.449%0.49433%0.333SS..EExtended strand (participates in β ladder)trans-161133.9176.857.8-75.9000110.9L163 V168L163-Y166 WeakPolarHBondContact CA-O 3.46Å; L163-Y166 HydrophobicContact CB-CD1 4.38Å; L163-Y166 HydrophobicContact CB-CE1 4.29Å; L163-Y166 WeakPolarHBondContact CB-O 3.39Å; L163-Y166 HydrophobicContact CD1-CD1 4.46Å; L163-Y166 HydrophobicContact CD1-CD2 3.78Å; L163-Y166 HydrophobicContact CD1-CE1 3.92Å; L163-Y166 HydrophobicContact CD1-CE2 3.17Å; L163-Y166 HydrophobicContact CD1-CG 4.39Å; L163-Y166 WeakPolarHBondContact CD1-OH 3.27Å; L163-Y166 HydrophobicContact CG-CE2 4.46Å; L163-Y166 PolarHBondContact N-O 2.89Å; L163-Y166 VanDerWaalsContact N-O 3.14Å; L163-Y166 PolarHBondContact O-N 3.06Å; Y166-V168 HydrophobicContact CD2-CG2 4.01Å; Y166-V168 HydrophobicContact CE2-CG2 4.35Å
167N86.9Confident91.3Very high85 Ų8571.8 Ų71.846%0.45535%0.345SS..EExtended strand (participates in β ladder)trans-97.6139.2170.2-63.4-43.7000108.6K162 M189 G190K162-N167 VanDerWaalsContact CA-OD1 3.22Å; K162-N167 WeakPolarHBondContact CA-OD1 3.5Å; K162-N167 WeakPolarHBondContact CB-OD1 3.48Å; N167-M189 WeakPolarHBondContact O-CA 3.43Å; N167-G190 PolarHBondContact O-N 2.76Å
168V91.2Very high91Very high46 Ų4673.8 Ų73.828%0.27938%0.376SS..EExtended strand (participates in β ladder)trans-113.7123.8170-178.80000107.3Y160 V161 Y166 V188 M189Y160-V168 CarbonylContact C-O 3.59Å; Y160-V168 VanDerWaalsContact CA-O 3.25Å; Y160-V168 WeakPolarHBondContact CA-O 3.38Å; V161-V168 PolarHBondContact N-O 3.25Å; V161-V168 PolarHBondContact O-N 3.15Å; Y166-V168 HydrophobicContact CD2-CG2 4.01Å; Y166-V168 HydrophobicContact CE2-CG2 4.35Å; V168-V188 WeakPolarHBondContact CA-O 3.34Å; V168-M189 HydrophobicContact CG1-CG 4.48Å
169E92.8Very high90.9Very high53 Ų5380 Ų8025%0.24840%0.402CS..EExtended strand (participates in β ladder)trans-129.6128.7175.6-174.8173.5-174.200109.2H158 E159 R171 T187 V188H158-E169 IonicContact CD2-OE1 3.73Å; H158-E169 IonicContact CE1-OE1 3.04Å; H158-E169 IonicContact NE2-OE1 3.42Å; H158-E169 PolarHBondContact NE2-OE1 2.8Å; E159-E169 CarbonylContact O-C 3.57Å; E159-E169 WeakPolarHBondContact O-CA 3.32Å; E169-R171 HydrophobicContact CG-CG 4.42Å; E169-R171 IonicContact OE1-CZ 3.23Å; E169-R171 IonicContact OE1-NE 3.94Å; E169-R171 PolarHBondContact OE1-NE 2.84Å; E169-R171 IonicContact OE1-NH2 3.44Å; E169-R171 PolarHBondContact OE1-NH2 2.78Å; E169-R171 IonicContact OE2-NH2 2.67Å; E169-T187 CarbonylContact O-C 3.6Å; E169-T187 WeakPolarHBondContact O-CA 3.44Å; E169-V188 HydrophobicContact CB-CB 4.38Å; E169-V188 PolarHBondContact N-O 2.94Å; E169-V188 PolarHBondContact O-N 3.18Å
170K93.8Very high90.9Very high49 Ų4981.5 Ų81.521%0.21341%0.409CS..EExtended strand (participates in β ladder)trans-121.9127.7178.1130.2-179.2175.9-133.80108.2Y157 H158 E159 F186Y157-K170 HydrophobicContact CD1-CG 4.22Å; Y157-K170 HydrophobicContact CE1-CD 3.98Å; Y157-K170 HydrophobicContact CE1-CG 3.88Å; Y157-K170 VanDerWaalsContact CE1-NZ 3.34Å; Y157-K170 PolarHBondContact OH-NZ 2.88Å; H158-K170 CarbonylContact C-O 3.56Å; H158-K170 WeakPolarHBondContact CA-O 3.21Å; E159-K170 HydrophobicContact CB-CD 4.3Å; E159-K170 HydrophobicContact CB-CG 4.14Å; E159-K170 PolarHBondContact N-O 2.93Å; E159-K170 PolarHBondContact O-N 3.07Å; E159-K170 WeakPolarHBondContact OE2-CD 3.34Å; E159-K170 IonicContact OE2-NZ 3.9Å; E159-K170 PolarHBondContact OE2-NZ 3.37Å; K170-F186 CarbonylContact C-O 3.52Å; K170-F186 WeakPolarHBondContact CA-O 3.24Å
171R94.8Very high91.1Very high132 Ų13279 Ų7950%0.49840%0.399SS..EExtended strand (participates in β ladder)trans-125.8139.8174.5-63.4-176.5-179.4-179.33.1109.1Y157 H158 E169 K185 F186Y157-R171 CarbonylContact O-C 3.59Å; Y157-R171 VanDerWaalsContact O-CA 3.28Å; Y157-R171 WeakPolarHBondContact O-CA 3.48Å; H158-R171 HydrophobicContact CB-CG 4.46Å; E169-R171 HydrophobicContact CG-CG 4.42Å; E169-R171 IonicContact OE1-CZ 3.23Å; E169-R171 IonicContact OE1-NE 3.94Å; E169-R171 PolarHBondContact OE1-NE 2.84Å; E169-R171 IonicContact OE1-NH2 3.44Å; E169-R171 PolarHBondContact OE1-NH2 2.78Å; E169-R171 IonicContact OE2-NH2 2.67Å; R171-K185 CarbonylContact O-C 3.58Å; R171-K185 VanDerWaalsContact O-CA 3.31Å; R171-K185 WeakPolarHBondContact O-CA 3.43Å; R171-F186 HydrophobicContact CB-CB 4.42Å; R171-F186 PolarHBondContact N-O 3.38Å; R171-F186 PolarHBondContact O-N 3.26Å
172S95.8Very high91.4Very high26 Ų2677.6 Ų77.618%0.18239%0.391CS..EExtended strand (participates in β ladder)trans-137.2135.1170.5-175.20000109.2Y157 N184Y157-S172 PolarHBondContact N-O 2.81Å; Y157-S172 PolarHBondContact O-N 3.47Å; S172-N184 CarbonylContact C-O 3.52Å; S172-N184 VanDerWaalsContact CA-O 3.26Å; S172-N184 WeakPolarHBondContact CA-O 3.44Å
173H97.5Very high91.8Very high49 Ų4972.2 Ų72.223%0.22737%0.368CS..EExtended strand (participates in β ladder)trans-123.1114.6175179.273.8000108.5E154 D156 I183 N184E154-H173 IonicContact OE1-CE1 2.74Å; E154-H173 PolarHBondContact OE1-CE1 2.86Å; D156-H173 IonicContact OD1-CE1 3.53Å; D156-H173 IonicContact OD1-CG 3.6Å; D156-H173 IonicContact OD1-ND1 3.07Å; D156-H173 PolarHBondContact OD1-ND1 3.47Å; H173-I183 WeakPolarHBondContact O-CA 3.27Å; H173-N184 PolarHBondContact N-O 2.75Å; H173-N184 PolarHBondContact O-N 3.47Å
174M97.3Very high92.3Very high14 Ų1471.6 Ų71.67%0.06936%0.364CS..EExtended strand (participates in β ladder)trans-109.1129.9178.1174.4-178.7-6600108.8V152 E154 E155 M181 V182 I183 L209 T211 L237V152-M174 HydrophobicContact CG1-SD 3.64Å; V152-M174 HydrophobicContact CG2-SD 4.23Å; E154-M174 CarbonylContact C-O 3.58Å; E154-M174 WeakPolarHBondContact CA-O 3.39Å; E154-M174 WeakPolarHBondContact CG-O 3.18Å; E155-M174 HydrophobicContact CB-CB 4.42Å; E155-M174 PolarHBondContact N-O 2.89Å; E155-M174 PolarHBondContact O-N 3Å; M174-M181 HydrophobicContact CB-SD 4.49Å; M174-M181 HydrophobicContact CG-CE 4.07Å; M174-M181 HydrophobicContact CG-CG 3.64Å; M174-M181 HydrophobicContact CG-SD 3.16Å; M174-M181 WeakPolarHBondContact CG-SD 3.19Å; M174-M181 HydrophobicContact SD-CE 4.06Å; M174-M181 HydrophobicContact SD-CG 4.05Å; M174-M181 HydrophobicContact SD-SD 3.89Å; M174-V182 CarbonylContact C-O 3.59Å; M174-V182 WeakPolarHBondContact CA-O 3.36Å; M174-I183 HydrophobicContact CB-CG1 4.09Å; M174-I183 HydrophobicContact CE-CD1 3.81Å; M174-I183 HydrophobicContact CE-CG1 3.84Å; M174-I183 HydrophobicContact CG-CG1 3.88Å; M174-L209 HydrophobicContact CE-CD2 4.33Å; M174-L209 HydrophobicContact SD-CD2 4.16Å; M174-T211 HydrophobicContact CE-CG2 4.21Å; M174-T211 HydrophobicContact SD-CG2 3.81Å; M174-L237 HydrophobicContact CE-CD1 3.6Å
175V96.8Very high93.1Very high16 Ų1664.4 Ų64.410%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-149.4136.9179.8630000112.7E154 R177 V182E154-V175 HydrophobicContact CB-CG2 4.3Å; E154-V175 HydrophobicContact CG-CB 4.1Å; E154-V175 HydrophobicContact CG-CG2 4.05Å; V175-R177 HydrophobicContact CG1-CG 4.3Å; V175-R177 PolarHBondContact O-N 2.91Å; V175-V182 PolarHBondContact N-O 3.42Å; V175-V182 PolarHBondContact O-N 3.45Å
176Q95.3Very high94Very high51 Ų5162.9 Ų62.924%0.23831%0.305CS..EExtended strand (participates in β ladder)trans-69.9127172-67.6-166.115.800111E151 V152 L153 M181 M203E151-Q176 PolarHBondContact OE1-NE2 2.74Å; V152-Q176 WeakPolarHBondContact O-CG 3.03Å; V152-Q176 PolarHBondContact O-NE2 3.36Å; L153-Q176 PolarHBondContact O-N 2.91Å; Q176-M181 HydrophobicContact CG-CE 3.5Å; Q176-M181 VanDerWaalsContact CG-CE 3.5Å; Q176-M181 HydrophobicContact CG-SD 4.16Å; Q176-M203 HydrophobicContact CG-CE 4.21Å; Q176-M203 HydrophobicContact CG-SD 4.03Å
177R93.9Very high94.5Very high158 Ų15857.7 Ų57.760%0.59629%0.286SS*.EExtended strand (participates in β ladder)trans-129.196.1172.3-65.5-168.7178.9-176.11.2109.9V175 K179 Q180 V182V175-R177 HydrophobicContact CG1-CG 4.3Å; V175-R177 PolarHBondContact O-N 2.91Å; R177-K179 PolarHBondContact O-N 2.83Å; R177-Q180 PolarHBondContact N-O 3.06Å; R177-Q180 PolarHBondContact O-N 2.84Å; R177-V182 HydrophobicContact CB-CG2 4.2Å; R177-V182 HydrophobicContact CG-CG2 4.26Å
178G90.2Very high94.7Very high76 Ų7655.9 Ų55.978%0.78428%0.278SS*.THydrogen-bonded Turntrans67-114.6-177.200000111.2
179K93.8Very high94.5Very high183 Ų18357.3 Ų57.380%0.79628%0.283SS*.THydrogen-bonded Turntrans-100.513.6178.2-64.4-173179.1-177.20113.5R177 M203R177-K179 PolarHBondContact O-N 2.83Å; K179-M203 PolarHBondContact O-N 2.86Å
180Q97.1Very high93.9Very high98 Ų9856 Ų5646%0.45828%0.284SS..EExtended strand (participates in β ladder)trans-124.9147.2-177.4-61.5-170.843.100110.8R177 S200 Y201R177-Q180 PolarHBondContact N-O 3.06Å; R177-Q180 PolarHBondContact O-N 2.84Å; Q180-S200 PolarHBondContact OE1-OG 2.89Å; Q180-Y201 CarbonylContact C-O 3.54Å; Q180-Y201 VanDerWaalsContact CA-O 3.29Å; Q180-Y201 WeakPolarHBondContact CA-O 3.22Å
181M97.5Very high92.9Very high0 Ų063 Ų630%032%0.317CS..EExtended strand (participates in β ladder)trans-97116.8164.4-175.759.876.300108.4V152 M174 Q176 I183 S200 Y201 M203 L206V152-M181 HydrophobicContact CG1-CE 3.63Å; V152-M181 WeakPolarHBondContact O-CE 3.44Å; M174-M181 HydrophobicContact CB-SD 4.49Å; M174-M181 HydrophobicContact CG-CE 4.07Å; M174-M181 HydrophobicContact CG-CG 3.64Å; M174-M181 HydrophobicContact CG-SD 3.16Å; M174-M181 WeakPolarHBondContact CG-SD 3.19Å; M174-M181 HydrophobicContact SD-CE 4.06Å; M174-M181 HydrophobicContact SD-CG 4.05Å; M174-M181 HydrophobicContact SD-SD 3.89Å; Q176-M181 HydrophobicContact CG-CE 3.5Å; Q176-M181 VanDerWaalsContact CG-CE 3.5Å; Q176-M181 HydrophobicContact CG-SD 4.16Å; M181-I183 HydrophobicContact CG-CD1 4.21Å; M181-I183 HydrophobicContact CG-CG1 4.05Å; M181-S200 VanDerWaalsContact O-CA 3.28Å; M181-S200 WeakPolarHBondContact O-CA 3.37Å; M181-S200 PolarHBondContact O-OG 3.23Å; M181-Y201 PolarHBondContact N-O 2.83Å; M181-Y201 PolarHBondContact O-N 2.96Å; M181-M203 HydrophobicContact CB-SD 3.92Å; M181-M203 HydrophobicContact CE-CE 4.35Å; M181-M203 HydrophobicContact CE-SD 3.83Å; M181-L206 HydrophobicContact CB-CD1 3.33Å; M181-L206 HydrophobicContact CG-CD1 3.8Å
182V97.8Very high91.6Very high23 Ų2364 Ų6414%0.13933%0.333CS..EExtended strand (participates in β ladder)trans-100.8129.3177.7-179.70000108.7M174 V175 R177M174-V182 CarbonylContact C-O 3.59Å; M174-V182 WeakPolarHBondContact CA-O 3.36Å; V175-V182 PolarHBondContact N-O 3.42Å; V175-V182 PolarHBondContact O-N 3.45Å; R177-V182 HydrophobicContact CB-CG2 4.2Å; R177-V182 HydrophobicContact CG-CG2 4.26Å
183I97.9Very high90.5Very high0 Ų066.1 Ų66.10%034%0.344CS..EExtended strand (participates in β ladder)trans-126.8122.2-177.1-56149.1000108.3H173 M174 M181 C198 V199 Y201 L237 L241H173-I183 WeakPolarHBondContact O-CA 3.27Å; M174-I183 HydrophobicContact CB-CG1 4.09Å; M174-I183 HydrophobicContact CE-CD1 3.81Å; M174-I183 HydrophobicContact CE-CG1 3.84Å; M174-I183 HydrophobicContact CG-CG1 3.88Å; M181-I183 HydrophobicContact CG-CD1 4.21Å; M181-I183 HydrophobicContact CG-CG1 4.05Å; I183-C198 WeakPolarHBondContact O-CA 3.23Å; I183-V199 HydrophobicContact CB-CG2 3.96Å; I183-V199 HydrophobicContact CD1-CG2 3.93Å; I183-V199 PolarHBondContact N-O 3.02Å; I183-V199 PolarHBondContact O-N 2.58Å; I183-Y201 HydrophobicContact CD1-CD2 4.08Å; I183-Y201 HydrophobicContact CD1-CE2 4.43Å; I183-L237 HydrophobicContact CD1-CD1 3.19Å; I183-L237 HydrophobicContact CG1-CD1 4.45Å; I183-L241 HydrophobicContact CG2-CD1 4.05Å; I183-L241 HydrophobicContact CG2-CD2 4.02Å
184N95.6Very high89.8Confident35 Ų3568 Ų6819%0.18736%0.359CS..EExtended strand (participates in β ladder)trans-110.3127.9170.7-53.9-62000108.3S172 H173 F186 E197 C198S172-N184 CarbonylContact C-O 3.52Å; S172-N184 VanDerWaalsContact CA-O 3.26Å; S172-N184 WeakPolarHBondContact CA-O 3.44Å; H173-N184 PolarHBondContact N-O 2.75Å; H173-N184 PolarHBondContact O-N 3.47Å; N184-F186 HydrophobicContact CB-CE2 3.81Å; N184-F186 HydrophobicContact CB-CZ 4.4Å; N184-E197 CarbonylContact C-O 3.58Å; N184-E197 WeakPolarHBondContact CA-O 3.29Å; N184-C198 PolarHBondContact OD1-SG 3.22Å
185K95.3Very high89.3Confident25 Ų2571.9 Ų71.911%0.10938%0.377CS..EExtended strand (participates in β ladder)trans-122.9135.6178.1176.7-170.8161.5-148.40108.7R171 E196 E197 Q239 L241R171-K185 CarbonylContact O-C 3.58Å; R171-K185 VanDerWaalsContact O-CA 3.31Å; R171-K185 WeakPolarHBondContact O-CA 3.43Å; K185-E196 WeakPolarHBondContact O-CA 3.4Å; K185-E197 HydrophobicContact CB-CB 4.36Å; K185-E197 PolarHBondContact N-O 2.8Å; K185-E197 IonicContact NZ-OE1 2.76Å; K185-E197 PolarHBondContact NZ-OE1 3.39Å; K185-E197 IonicContact NZ-OE2 2.61Å; K185-E197 PolarHBondContact O-N 3.03Å; K185-Q239 WeakPolarHBondContact CE-O 3.33Å; K185-Q239 PolarHBondContact NZ-O 3.34Å; K185-L241 HydrophobicContact CB-CD1 4.02Å; K185-L241 HydrophobicContact CD-CD1 4.29Å; K185-L241 HydrophobicContact CD-CD2 4.16Å; K185-L241 HydrophobicContact CD-CG 4.21Å
186F91.8Very high88.9Confident75 Ų7577.3 Ų77.333%0.32940%0.401SS..EExtended strand (participates in β ladder)trans-127.7126.2179.2-61.2-91.5000108.5K170 R171 N184 E195 E196K170-F186 CarbonylContact C-O 3.52Å; K170-F186 WeakPolarHBondContact CA-O 3.24Å; R171-F186 HydrophobicContact CB-CB 4.42Å; R171-F186 PolarHBondContact N-O 3.38Å; R171-F186 PolarHBondContact O-N 3.26Å; N184-F186 HydrophobicContact CB-CE2 3.81Å; N184-F186 HydrophobicContact CB-CZ 4.4Å; F186-E195 CarbonylContact C-O 3.52Å; F186-E195 WeakPolarHBondContact CA-O 3.45Å; F186-E196 HydrophobicContact CD1-CB 4.18Å; F186-E196 HydrophobicContact CD1-CG 3.86Å; F186-E196 HydrophobicContact CE1-CB 4.26Å; F186-E196 HydrophobicContact CE1-CG 3.52Å; F186-E196 VanDerWaalsContact CE1-OE1 3.31Å; F186-E196 WeakPolarHBondContact CE1-OE1 3.3Å; F186-E196 HydrophobicContact CZ-CG 4.11Å; F186-E196 WeakPolarHBondContact CZ-OE1 3.39Å
187T92.1Very high88.8Confident18 Ų1877.6 Ų77.611%0.1140%0.403CS..EExtended strand (participates in β ladder)trans-120.8121.6172.9-50.30000108.5E169 M189 T194 E195E169-T187 CarbonylContact O-C 3.6Å; E169-T187 WeakPolarHBondContact O-CA 3.44Å; T187-M189 HydrophobicContact CG2-CG 4.16Å; T187-T194 CarbonylContact O-C 3.55Å; T187-T194 VanDerWaalsContact O-CA 3.3Å; T187-T194 WeakPolarHBondContact O-CA 3.19Å; T187-E195 PolarHBondContact N-O 3.39Å; T187-E195 PolarHBondContact O-N 2.82Å
188V89.8Confident88.8Confident47 Ų4774 Ų7429%0.28540%0.401SS..EExtended strand (participates in β ladder)trans-109.2124175.4-176.60000108.2V168 E169 V193 T194V168-V188 WeakPolarHBondContact CA-O 3.34Å; E169-V188 HydrophobicContact CB-CB 4.38Å; E169-V188 PolarHBondContact N-O 2.94Å; E169-V188 PolarHBondContact O-N 3.18Å; V188-V193 CarbonylContact C-O 3.58Å; V188-V193 WeakPolarHBondContact CA-O 3.43Å; V188-T194 HydrophobicContact CG2-CG2 4.3Å
189M88.1Confident89.1Confident75 Ų7572.2 Ų72.237%0.36938%0.375SS..EExtended strand (participates in β ladder)trans-123.3106.8176.5-62.8-172.1-71.600109.7N167 V168 T187 V193N167-M189 WeakPolarHBondContact O-CA 3.43Å; V168-M189 HydrophobicContact CG1-CG 4.48Å; T187-M189 HydrophobicContact CG2-CG 4.16Å; M189-V193 HydrophobicContact CB-CB 4.22Å; M189-V193 HydrophobicContact CE-CG1 3.85Å; M189-V193 PolarHBondContact N-O 2.76Å; M189-V193 WeakPolarHBondContact O-CB 3.37Å
190G80.8Confident89.2Confident27 Ų2766 Ų6628%0.27835%0.354SS..THydrogen-bonded Turntrans69.9-153.2-175.200000112.8N167N167-G190 PolarHBondContact O-N 2.76Å
191E72.1Confident89.2Confident194 Ų19463.2 Ų63.291%0.90734%0.34SS*.THydrogen-bonded Turntrans-84.2-23.9-174.5-66.7-177158.600113.7
192D67.1Low89.2Confident154 Ų15465.9 Ų65.982%0.82436%0.357SS*.THydrogen-bonded Turntrans-128.4-5.9-164.8-66.5-41.4000115.7
193V73.2Confident89Confident70 Ų7066.3 Ų66.342%0.42436%0.358SS..EExtended strand (participates in β ladder)trans-106.6107.3-178.6-172.70000109.7V188 M189V188-V193 CarbonylContact C-O 3.58Å; V188-V193 WeakPolarHBondContact CA-O 3.43Å; M189-V193 HydrophobicContact CB-CB 4.22Å; M189-V193 HydrophobicContact CE-CG1 3.85Å; M189-V193 PolarHBondContact N-O 2.76Å; M189-V193 WeakPolarHBondContact O-CB 3.37Å
194T81.7Confident88.8Confident89 Ų8971.2 Ų71.255%0.54639%0.392SS..EExtended strand (participates in β ladder)trans-118.1121.7170.3-55.60000109.3T187 V188T187-T194 CarbonylContact O-C 3.55Å; T187-T194 VanDerWaalsContact O-CA 3.3Å; T187-T194 WeakPolarHBondContact O-CA 3.19Å; V188-T194 HydrophobicContact CG2-CG2 4.3Å
195E86.7Confident88.8Confident95 Ų9571.2 Ų71.244%0.44439%0.393SS..EExtended strand (participates in β ladder)trans-102.5127.9169.3-65.4177177.500108.4F186 T187F186-E195 CarbonylContact C-O 3.52Å; F186-E195 WeakPolarHBondContact CA-O 3.45Å; T187-E195 PolarHBondContact N-O 3.39Å; T187-E195 PolarHBondContact O-N 2.82Å
196E90.1Very high88.8Confident130 Ų13070.3 Ų70.361%0.60739%0.39SS*.EExtended strand (participates in β ladder)trans-121127.1176.4-177.8175.2178.200109K185 F186K185-E196 WeakPolarHBondContact O-CA 3.4Å; F186-E196 HydrophobicContact CD1-CB 4.18Å; F186-E196 HydrophobicContact CD1-CG 3.86Å; F186-E196 HydrophobicContact CE1-CB 4.26Å; F186-E196 HydrophobicContact CE1-CG 3.52Å; F186-E196 VanDerWaalsContact CE1-OE1 3.31Å; F186-E196 WeakPolarHBondContact CE1-OE1 3.3Å; F186-E196 HydrophobicContact CZ-CG 4.11Å; F186-E196 WeakPolarHBondContact CZ-OE1 3.39Å
197E92.8Very high88.9Confident57 Ų5773.3 Ų73.327%0.26640%0.399SS..EExtended strand (participates in β ladder)trans-125.2132.5177.1-67.3169.6-122.200108.8N184 K185 L241N184-E197 CarbonylContact C-O 3.58Å; N184-E197 WeakPolarHBondContact CA-O 3.29Å; K185-E197 HydrophobicContact CB-CB 4.36Å; K185-E197 PolarHBondContact N-O 2.8Å; K185-E197 IonicContact NZ-OE1 2.76Å; K185-E197 PolarHBondContact NZ-OE1 3.39Å; K185-E197 IonicContact NZ-OE2 2.61Å; K185-E197 PolarHBondContact O-N 3.03Å; E197-L241 HydrophobicContact CB-CD1 4.22Å
198C93.8Very high89.1Confident82 Ų8273 Ų7355%0.55440%0.399SS*.EExtended strand (participates in β ladder)trans-128.3119.9176.1-175.90000108.4I183 N184I183-C198 WeakPolarHBondContact O-CA 3.23Å; N184-C198 PolarHBondContact OD1-SG 3.22Å
199V95.9Very high89.4Confident40 Ų4071.3 Ų71.324%0.24239%0.389CS..EExtended strand (participates in β ladder)trans-128.6156.3176.5-57.30000110.2I183 Y201 L241I183-V199 HydrophobicContact CB-CG2 3.96Å; I183-V199 HydrophobicContact CD1-CG2 3.93Å; I183-V199 PolarHBondContact N-O 3.02Å; I183-V199 PolarHBondContact O-N 2.58Å; V199-Y201 HydrophobicContact CB-CE2 4.3Å; V199-Y201 HydrophobicContact CG2-CD2 4.27Å; V199-Y201 HydrophobicContact CG2-CE2 3.75Å; V199-L241 HydrophobicContact CG1-CB 4.42Å; V199-L241 HydrophobicContact CG1-CD1 4.18Å; V199-L241 HydrophobicContact CG2-CB 3.84Å; V199-L241 HydrophobicContact CG2-CD1 3.67Å; V199-L241 HydrophobicContact CG2-CG 4.37Å
200S96.8Very high89.8Confident51 Ų5167.9 Ų67.936%0.35737%0.372SS..EExtended strand (participates in β ladder)trans-137.2131.2175.6-167.50000110.3Q180 M181Q180-S200 PolarHBondContact OE1-OG 2.89Å; M181-S200 VanDerWaalsContact O-CA 3.28Å; M181-S200 WeakPolarHBondContact O-CA 3.37Å; M181-S200 PolarHBondContact O-OG 3.23Å
201Y96.9Very high90.6Very high41 Ų4167.1 Ų67.116%0.16136%0.362CS..EExtended strand (participates in β ladder)trans-119138.5178.7-72.1-74.1000110.9Q180 M181 I183 V199 M203 L206 L237 L241 I243Q180-Y201 CarbonylContact C-O 3.54Å; Q180-Y201 VanDerWaalsContact CA-O 3.29Å; Q180-Y201 WeakPolarHBondContact CA-O 3.22Å; M181-Y201 PolarHBondContact N-O 2.83Å; M181-Y201 PolarHBondContact O-N 2.96Å; I183-Y201 HydrophobicContact CD1-CD2 4.08Å; I183-Y201 HydrophobicContact CD1-CE2 4.43Å; V199-Y201 HydrophobicContact CB-CE2 4.3Å; V199-Y201 HydrophobicContact CG2-CD2 4.27Å; V199-Y201 HydrophobicContact CG2-CE2 3.75Å; Y201-M203 PolarHBondContact O-N 2.91Å; Y201-L206 HydrophobicContact CG-CD1 4.46Å; Y201-L206 HydrophobicContact CG-CD2 4.23Å; Y201-L206 HydrophobicContact CG-CG 4.47Å; Y201-L237 HydrophobicContact CD2-CD2 4.44Å; Y201-L237 HydrophobicContact CE2-CD1 4.49Å; Y201-L237 HydrophobicContact CE2-CD2 4.09Å; Y201-L241 WeakPolarHBondContact CE2-O 3.47Å; Y201-L241 PolarHBondContact OH-O 2.98Å; Y201-I243 HydrophobicContact CD1-CD1 4.14Å; Y201-I243 HydrophobicContact CE1-CD1 4.09Å; Y201-I243 HydrophobicContact CE1-CG1 4.17Å
202P96.7Very high91.7Very high56 Ų5660.3 Ų60.336%0.36433%0.33SS..EExtended strand (participates in β ladder)trans-60.5133.9167.3-19.731.8000110.6S204 V205 L206P202-S204 PolarHBondContact O-N 3.33Å; P202-V205 HydrophobicContact CB-CG2 4.24Å; P202-V205 HydrophobicContact CG-CG2 4.32Å; P202-V205 PolarHBondContact O-N 3.23Å; P202-L206 PolarHBondContact O-N 2.67Å
203M94.8Very high93.1Very high32 Ų3253 Ų5316%0.15829%0.291CS..THydrogen-bonded Turntrans-57.3-26.7177.6-73.2-59.7-63.500112.7E151 Q176 K179 M181 Y201 V205 L206 R207E151-M203 HydrophobicContact CG-CE 4.03Å; Q176-M203 HydrophobicContact CG-CE 4.21Å; Q176-M203 HydrophobicContact CG-SD 4.03Å; K179-M203 PolarHBondContact O-N 2.86Å; M181-M203 HydrophobicContact CB-SD 3.92Å; M181-M203 HydrophobicContact CE-CE 4.35Å; M181-M203 HydrophobicContact CE-SD 3.83Å; Y201-M203 PolarHBondContact O-N 2.91Å; M203-V205 VanDerWaalsContact C-N 3.28Å; M203-V205 PolarHBondContact O-N 2.85Å; M203-L206 PolarHBondContact O-N 2.9Å; M203-R207 PolarHBondContact O-N 2.85Å
204S93.5Very high94.2Very high102 Ų10249.7 Ų49.771%0.71327%0.271SS*.THydrogen-bonded Turntrans-63.4-31.1175.352.60000113.7P202P202-S204 PolarHBondContact O-N 3.33Å
205V94.8Very high94.9Very high35 Ų3545.5 Ų45.521%0.21225%0.245CC..THydrogen-bonded Turntrans-81-32.2177.1-1780000110.2P202 M203 R207 I235 I243P202-V205 HydrophobicContact CB-CG2 4.24Å; P202-V205 HydrophobicContact CG-CG2 4.32Å; P202-V205 PolarHBondContact O-N 3.23Å; M203-V205 VanDerWaalsContact C-N 3.28Å; M203-V205 PolarHBondContact O-N 2.85Å; V205-R207 PolarHBondContact O-N 2.89Å; V205-I235 WeakPolarHBondContact O-CD1 3.35Å; V205-I243 HydrophobicContact CG1-CD1 3.5Å
206L95.5Very high95.3Very high6 Ų641.9 Ų41.93%0.03123%0.228CC..SBendtrans-83.317.9179.6-62-178.9000114.5M181 Y201 P202 M203 G208 L209 L237 I243M181-L206 HydrophobicContact CB-CD1 3.33Å; M181-L206 HydrophobicContact CG-CD1 3.8Å; Y201-L206 HydrophobicContact CG-CD1 4.46Å; Y201-L206 HydrophobicContact CG-CD2 4.23Å; Y201-L206 HydrophobicContact CG-CG 4.47Å; P202-L206 PolarHBondContact O-N 2.67Å; M203-L206 PolarHBondContact O-N 2.9Å; L206-G208 PolarHBondContact O-N 2.85Å; L206-G208 VanDerWaalsContact O-N 3.15Å; L206-L209 HydrophobicContact CB-CB 4.23Å; L206-L209 HydrophobicContact CB-CD2 4.36Å; L206-L209 HydrophobicContact CD1-CD2 4.09Å; L206-L209 HydrophobicContact CD2-CD2 4.4Å; L206-L209 VanDerWaalsContact O-CB 3.23Å; L206-L209 WeakPolarHBondContact O-CB 3.41Å; L206-L209 PolarHBondContact O-N 2.88Å; L206-L237 HydrophobicContact CD2-CD2 4.24Å; L206-I243 HydrophobicContact CD2-CD1 4.21Å; L206-I243 HydrophobicContact CD2-CG1 4.44Å
207R94.6Very high95.5Very high138 Ų13835.7 Ų35.752%0.52120%0.2SC..THydrogen-bonded Turntrans-63118.5177.6-172.6179.7179.8-131.4-6.2109.8A70 D72 V75 M203 V205A70-R207 WeakPolarHBondContact CB-O 3.44Å; D72-R207 IonicContact OD1-NH1 3.49Å; V75-R207 HydrophobicContact CG1-CG 4.26Å; V75-R207 VanDerWaalsContact CG1-NH2 3.34Å; V75-R207 HydrophobicContact CG2-CG 4.04Å; M203-R207 PolarHBondContact O-N 2.85Å; V205-R207 PolarHBondContact O-N 2.89Å
208G95.1Very high95.7Very high11 Ų1133 Ų3311%0.11319%0.187CC..THydrogen-bonded Turntrans84.919.7-176.400000114.6L206 I235L206-G208 PolarHBondContact O-N 2.85Å; L206-G208 VanDerWaalsContact O-N 3.15Å; G208-I235 PolarHBondContact O-N 2.81Å
209L97.1Very high95.8Very high13 Ų1329.3 Ų29.37%0.06816%0.162CC..BIsolated β-bridgetrans-61.5130.5173.1177.867.2000112V152 M174 L206 T211 I235 L237V152-L209 HydrophobicContact CG1-CD2 4.01Å; M174-L209 HydrophobicContact CE-CD2 4.33Å; M174-L209 HydrophobicContact SD-CD2 4.16Å; L206-L209 HydrophobicContact CB-CB 4.23Å; L206-L209 HydrophobicContact CB-CD2 4.36Å; L206-L209 HydrophobicContact CD1-CD2 4.09Å; L206-L209 HydrophobicContact CD2-CD2 4.4Å; L206-L209 VanDerWaalsContact O-CB 3.23Å; L206-L209 WeakPolarHBondContact O-CB 3.41Å; L206-L209 PolarHBondContact O-N 2.88Å; L209-T211 HydrophobicContact CD2-CG2 4.16Å; L209-T211 HydrophobicContact CG-CG2 4.22Å; L209-I235 WeakPolarHBondContact CA-O 3.33Å; L209-I235 HydrophobicContact CB-CD1 4.4Å; L209-I235 HydrophobicContact CB-CG1 4.11Å; L209-I235 HydrophobicContact CD1-CG1 4.32Å; L209-L237 HydrophobicContact CD1-CG 4.13Å
210V96.8Very high95.7Very high3 Ų327.7 Ų27.72%0.01815%0.151CC..  trans-116.3112.7173.1175.60000109S214 L218 F234 I235 I236 T246V210-S214 WeakPolarHBondContact CA-OG 3.5Å; V210-L218 HydrophobicContact CG1-CD2 4.31Å; V210-L218 HydrophobicContact CG2-CD2 3.79Å; V210-F234 HydrophobicContact CB-CB 4.37Å; V210-F234 HydrophobicContact CG2-CB 3.69Å; V210-F234 HydrophobicContact CG2-CD1 3.5Å; V210-F234 HydrophobicContact CG2-CE1 4.33Å; V210-F234 HydrophobicContact CG2-CG 3.74Å; V210-I235 PolarHBondContact N-O 3.21Å; V210-I236 WeakPolarHBondContact O-CG2 3.5Å; V210-T246 HydrophobicContact CB-CG2 4.32Å
211T96.9Very high95.6Very high11 Ų1125.2 Ų25.27%0.06713%0.134CC..  trans-90.6179.1174.465.40000110.8V152 E155 M174 L209 G213 S214 S215V152-T211 HydrophobicContact CB-CG2 4.08Å; V152-T211 HydrophobicContact CG1-CG2 3.76Å; V152-T211 HydrophobicContact CG2-CG2 4.28Å; E155-T211 WeakPolarHBondContact OE1-CB 3.2Å; E155-T211 WeakPolarHBondContact OE2-CB 3.46Å; E155-T211 PolarHBondContact OE2-OG1 2.87Å; M174-T211 HydrophobicContact CE-CG2 4.21Å; M174-T211 HydrophobicContact SD-CG2 3.81Å; L209-T211 HydrophobicContact CD2-CG2 4.16Å; L209-T211 HydrophobicContact CG-CG2 4.22Å; T211-G213 VanDerWaalsContact C-N 3.3Å; T211-G213 PolarHBondContact O-N 2.96Å; T211-S214 PolarHBondContact N-OG 3.03Å; T211-S214 PolarHBondContact OG1-N 3.26Å; T211-S214 PolarHBondContact OG1-OG 3.4Å; T211-S215 WeakPolarHBondContact O-CB 3.27Å; T211-S215 PolarHBondContact O-N 3.46Å; T211-S215 PolarHBondContact O-OG 3.29Å
212E94.9Very high95.6Very high51 Ų5123.3 Ų23.324%0.23813%0.127CC..Hα-helixtrans-62.4-41.6175.4-77.5-55.7117.100111.3V142 Y157 S215 M216 R270 R295V142-E212 HydrophobicContact CG1-CB 4.41Å; V142-E212 HydrophobicContact CG2-CB 4.31Å; Y157-E212 HydrophobicContact CD2-CG 4.47Å; Y157-E212 HydrophobicContact CE2-CG 4.22Å; E212-S215 PolarHBondContact O-OG 3.43Å; E212-M216 WeakPolarHBondContact O-CG 3.44Å; E212-M216 PolarHBondContact O-N 3.02Å; E212-R270 IonicContact OE1-CZ 2.75Å; E212-R270 IonicContact OE1-NH1 3.79Å; E212-R270 PolarHBondContact OE1-NH1 2.73Å; E212-R270 IonicContact OE1-NH2 3.91Å; E212-R270 PolarHBondContact OE1-NH2 2.82Å; E212-R270 IonicContact OE2-NH1 2.68Å; E212-R295 IonicContact OE2-NH2 3.89Å
213G95.9Very high95.4Very high0 Ų020.7 Ų20.70%011%0.109CC..Hα-helixtrans-63.4-52.8175.500000112.8E155 T211 S215 M216E155-G213 WeakPolarHBondContact OE2-CA 3.28Å; E155-G213 PolarHBondContact OE2-N 2.9Å; T211-G213 VanDerWaalsContact C-N 3.3Å; T211-G213 PolarHBondContact O-N 2.96Å; G213-S215 VanDerWaalsContact C-N 3.29Å; G213-S215 PolarHBondContact O-N 3.39Å; G213-M216 PolarHBondContact O-N 3.34Å
214S96.6Very high95.4Very high1 Ų121.3 Ų21.31%0.00711%0.113CC..Hα-helixtrans-67.6-29.7-177.669.90000112.9L150 V210 T211 M216 L217 L218L150-S214 WeakPolarHBondContact O-CB 3.47Å; V210-S214 WeakPolarHBondContact CA-OG 3.5Å; T211-S214 PolarHBondContact N-OG 3.03Å; T211-S214 PolarHBondContact OG1-N 3.26Å; T211-S214 PolarHBondContact OG1-OG 3.4Å; S214-M216 VanDerWaalsContact C-N 3.31Å; S214-M216 PolarHBondContact O-N 3.43Å; S214-L217 PolarHBondContact O-N 3.1Å; S214-L218 VanDerWaalsContact O-CB 3.25Å; S214-L218 WeakPolarHBondContact O-CB 3.28Å; S214-L218 PolarHBondContact O-N 2.67Å
215S95.8Very high95.4Very high0 Ų019.7 Ų19.70%09%0.091CC..Hα-helixtrans-61-37.4175.1790000113.2T211 E212 G213 L218 M219 R270T211-S215 WeakPolarHBondContact O-CB 3.27Å; T211-S215 PolarHBondContact O-N 3.46Å; T211-S215 PolarHBondContact O-OG 3.29Å; E212-S215 PolarHBondContact O-OG 3.43Å; G213-S215 VanDerWaalsContact C-N 3.29Å; G213-S215 PolarHBondContact O-N 3.39Å; S215-L218 PolarHBondContact O-N 3.42Å; S215-M219 WeakPolarHBondContact O-CE 3.2Å; S215-M219 WeakPolarHBondContact O-CG 3.16Å; S215-M219 PolarHBondContact O-N 2.61Å; S215-R270 PolarHBondContact OG-NH1 3.04Å
216M95.4Very high95.2Very high20 Ų2022.4 Ų22.410%0.09910%0.1CC..Hα-helixtrans-67.5-39.9-178.7-67.1-171.3-155.500111.3F108 V110 L125 A127 E212 G213 S214 R220F108-M216 HydrophobicContact CZ-SD 4.27Å; V110-M216 HydrophobicContact CG2-SD 4.16Å; L125-M216 HydrophobicContact CD1-CB 3.88Å; L125-M216 HydrophobicContact CD2-SD 4.44Å; A127-M216 HydrophobicContact CB-CE 3.84Å; A127-M216 HydrophobicContact CB-SD 3.68Å; E212-M216 WeakPolarHBondContact O-CG 3.44Å; E212-M216 PolarHBondContact O-N 3.02Å; G213-M216 PolarHBondContact O-N 3.34Å; S214-M216 VanDerWaalsContact C-N 3.31Å; S214-M216 PolarHBondContact O-N 3.43Å; M216-R220 PolarHBondContact O-N 2.8Å
217L95.1Very high94.9Very high0 Ų028.6 Ų28.60%013%0.127CC..Hα-helixtrans-70.2-42.9172.6-78.7-174.4000112.4C89 F91 V112 V123 L125 L146 L150 S214 M219 R220 L221C89-L217 HydrophobicContact CB-CD2 3.88Å; F91-L217 HydrophobicContact CE1-CD2 4.17Å; V112-L217 HydrophobicContact CG1-CD1 4.4Å; V112-L217 HydrophobicContact CG1-CD2 4.13Å; V112-L217 HydrophobicContact CG2-CD2 3.79Å; V123-L217 HydrophobicContact CG2-CD1 3.77Å; L125-L217 HydrophobicContact CD1-CD2 4.35Å; L125-L217 HydrophobicContact CD1-CG 3.83Å; L146-L217 HydrophobicContact CD1-CD1 3.69Å; L146-L217 HydrophobicContact CD1-CG 4.47Å; L150-L217 HydrophobicContact CD1-CB 4.12Å; L150-L217 HydrophobicContact CD2-CB 3.94Å; L150-L217 HydrophobicContact CD2-CD1 3.79Å; S214-L217 PolarHBondContact O-N 3.1Å; L217-M219 PolarHBondContact O-N 3.45Å; L217-R220 WeakPolarHBondContact O-CB 3.34Å; L217-R220 PolarHBondContact O-N 3.22Å; L217-R220 VanDerWaalsContact O-N 3.12Å; L217-L221 WeakPolarHBondContact O-CG 3.2Å; L217-L221 PolarHBondContact O-N 2.89Å
218L96.3Very high94.6Very high1 Ų122.7 Ų22.71%0.00511%0.106CC..Hα-helixtrans-58.7-47.9-179.4-178.958.9000111.6F77 L78 L150 V210 S214 S215 R220 L221 M222 F234 F248F77-L218 HydrophobicContact CD1-CD1 3.84Å; F77-L218 HydrophobicContact CE1-CD1 3.47Å; F77-L218 VanDerWaalsContact CE1-CD1 3.47Å; F77-L218 HydrophobicContact CZ-CD1 4.49Å; L78-L218 HydrophobicContact CD2-CD1 4.04Å; L150-L218 HydrophobicContact CD1-CB 3.9Å; L150-L218 HydrophobicContact CD1-CD1 4.24Å; V210-L218 HydrophobicContact CG1-CD2 4.31Å; V210-L218 HydrophobicContact CG2-CD2 3.79Å; S214-L218 VanDerWaalsContact O-CB 3.25Å; S214-L218 WeakPolarHBondContact O-CB 3.28Å; S214-L218 PolarHBondContact O-N 2.67Å; S215-L218 PolarHBondContact O-N 3.42Å; L218-R220 VanDerWaalsContact C-N 3.29Å; L218-R220 PolarHBondContact O-N 3.22Å; L218-L221 PolarHBondContact O-N 2.95Å; L218-M222 HydrophobicContact CD1-CE 3.87Å; L218-M222 HydrophobicContact CD2-CE 4.18Å; L218-M222 HydrophobicContact CG-CE 3.81Å; L218-M222 WeakPolarHBondContact O-CG 3.29Å; L218-M222 PolarHBondContact O-N 2.97Å; L218-F234 HydrophobicContact CD1-CZ 4.5Å; L218-F234 HydrophobicContact CD2-CD1 4.32Å; L218-F234 HydrophobicContact CD2-CE1 3.98Å; L218-F234 HydrophobicContact CD2-CE2 4.24Å; L218-F234 HydrophobicContact CD2-CZ 3.95Å; L218-F248 HydrophobicContact CD2-CE2 3.74Å; L218-F248 HydrophobicContact CD2-CZ 3.86Å
219M95.5Very high93.9Very high4 Ų423 Ų232%0.0211%0.106CC..Hα-helixtrans-60.4-39175.9-72.3-175.4-71.900112S215 L217 M222 A223 F248 L268 R270 C284 F286S215-M219 WeakPolarHBondContact O-CE 3.2Å; S215-M219 WeakPolarHBondContact O-CG 3.16Å; S215-M219 PolarHBondContact O-N 2.61Å; L217-M219 PolarHBondContact O-N 3.45Å; M219-M222 PolarHBondContact O-N 2.79Å; M219-A223 WeakPolarHBondContact O-CB 3.44Å; M219-A223 PolarHBondContact O-N 2.73Å; M219-F248 HydrophobicContact CG-CD1 3.94Å; M219-F248 HydrophobicContact CG-CE1 3.49Å; M219-F248 VanDerWaalsContact CG-CE1 3.49Å; M219-F248 HydrophobicContact SD-CE1 4.1Å; M219-L268 HydrophobicContact CB-CD1 4.27Å; M219-L268 WeakPolarHBondContact O-CD1 3.28Å; M219-R270 HydrophobicContact SD-CB 4.24Å; M219-C284 HydrophobicContact SD-CB 4.42Å; M219-F286 HydrophobicContact CB-CE2 4.1Å; M219-F286 HydrophobicContact CB-CZ 3.82Å
220R94.6Very high93.3Very high5 Ų531 Ų312%0.01914%0.14CC..Hα-helixtrans-65.5-42.3176.7-177.4171.6-65.8-123.7-5.7112.2F91 E93 M216 L217 L218 A223 L224 F286 G290F91-R220 VanDerWaalsContact CD1-CZ 3.45Å; F91-R220 VanDerWaalsContact CD2-NH1 3.29Å; E93-R220 IonicContact OE1-NH2 3.64Å; E93-R220 PolarHBondContact OE1-NH2 2.86Å; E93-R220 IonicContact OE2-CZ 2.68Å; E93-R220 IonicContact OE2-NH1 3.58Å; E93-R220 IonicContact OE2-NH2 3.45Å; E93-R220 PolarHBondContact OE2-NH2 2.81Å; M216-R220 PolarHBondContact O-N 2.8Å; L217-R220 WeakPolarHBondContact O-CB 3.34Å; L217-R220 PolarHBondContact O-N 3.22Å; L217-R220 VanDerWaalsContact O-N 3.12Å; L218-R220 VanDerWaalsContact C-N 3.29Å; L218-R220 PolarHBondContact O-N 3.22Å; R220-A223 WeakPolarHBondContact O-CB 3.37Å; R220-A223 PolarHBondContact O-N 2.82Å; R220-L224 HydrophobicContact CG-CD1 4.25Å; R220-L224 HydrophobicContact CG-CG 4.5Å; R220-L224 WeakPolarHBondContact O-CG 3.41Å; R220-L224 PolarHBondContact O-N 2.82Å; R220-F286 HydrophobicContact CB-CE1 4.25Å; R220-G290 PolarHBondContact NE-O 3.45Å; R220-G290 PolarHBondContact NH1-O 3.18Å; R220-G290 VanDerWaalsContact NH1-O 3.13Å; R220-G290 PolarHBondContact NH2-O 3.22Å
221L95.4Very high92.7Very high0 Ų037.9 Ų37.90%018%0.177CC..Hα-helixtrans-62.4-43.6175.6-72.4169.1000111.4I81 E85 C89 L150 L217 L218 A223 L224 R225I81-L221 HydrophobicContact CD1-CD1 3.57Å; I81-L221 HydrophobicContact CG1-CD1 3.98Å; I81-L221 HydrophobicContact CG2-CD1 4.02Å; I81-L221 HydrophobicContact CG2-CD2 4.36Å; E85-L221 HydrophobicContact CB-CD2 3.99Å; C89-L221 VanDerWaalsContact SG-CD2 3.52Å; L150-L221 HydrophobicContact CD1-CD1 3.87Å; L150-L221 HydrophobicContact CG-CD1 4.44Å; L217-L221 WeakPolarHBondContact O-CG 3.2Å; L217-L221 PolarHBondContact O-N 2.89Å; L218-L221 PolarHBondContact O-N 2.95Å; L221-A223 VanDerWaalsContact C-N 3.28Å; L221-A223 PolarHBondContact O-N 3.45Å; L221-L224 PolarHBondContact O-N 2.86Å; L221-R225 WeakPolarHBondContact O-CB 3.32Å; L221-R225 WeakPolarHBondContact O-CG 3.48Å; L221-R225 PolarHBondContact O-N 2.85Å
222M95.4Very high92.4Very high1 Ų138.5 Ų38.51%0.00518%0.18CC..Hα-helixtrans-59.1-40.9173.4-69176.218000111.8F77 L218 M219 R225 K226 K227 V228 F234 F248 L268F77-M222 HydrophobicContact CE1-CE 4.47Å; F77-M222 HydrophobicContact CE1-CG 4.43Å; F77-M222 HydrophobicContact CE2-CG 4.49Å; F77-M222 HydrophobicContact CZ-CG 3.85Å; L218-M222 HydrophobicContact CD1-CE 3.87Å; L218-M222 HydrophobicContact CD2-CE 4.18Å; L218-M222 HydrophobicContact CG-CE 3.81Å; L218-M222 WeakPolarHBondContact O-CG 3.29Å; L218-M222 PolarHBondContact O-N 2.97Å; M219-M222 PolarHBondContact O-N 2.79Å; M222-R225 PolarHBondContact O-N 2.9Å; M222-K226 PolarHBondContact O-N 2.82Å; M222-K227 PolarHBondContact O-N 3.39Å; M222-V228 HydrophobicContact SD-CG1 4.26Å; M222-F234 HydrophobicContact CE-CE2 4.14Å; M222-F234 HydrophobicContact CE-CZ 4.25Å; M222-F248 HydrophobicContact CE-CB 4.17Å; M222-F248 HydrophobicContact CE-CD2 3.93Å; M222-F248 HydrophobicContact CE-CG 3.99Å; M222-F248 HydrophobicContact SD-CB 3.93Å; M222-F248 HydrophobicContact SD-CD1 4.2Å; M222-F248 HydrophobicContact SD-CD2 4.5Å; M222-F248 HydrophobicContact SD-CG 3.96Å; M222-L268 HydrophobicContact CB-CD1 4.22Å; M222-L268 HydrophobicContact CB-CD2 4.12Å; M222-L268 HydrophobicContact SD-CD2 4.09Å
223A94.2Very high92.4Very high0 Ų037.8 Ų37.80%018%0.179CC..Hα-helixtrans-67.3-40.2177.100000113.5M219 R220 L221 R225 K226 F266 L268 F286M219-A223 WeakPolarHBondContact O-CB 3.44Å; M219-A223 PolarHBondContact O-N 2.73Å; R220-A223 WeakPolarHBondContact O-CB 3.37Å; R220-A223 PolarHBondContact O-N 2.82Å; L221-A223 VanDerWaalsContact C-N 3.28Å; L221-A223 PolarHBondContact O-N 3.45Å; A223-R225 VanDerWaalsContact C-N 3.34Å; A223-K226 WeakPolarHBondContact O-CD 3.36Å; A223-K226 VanDerWaalsContact O-CE 3.28Å; A223-K226 WeakPolarHBondContact O-CE 3.44Å; A223-K226 PolarHBondContact O-N 2.89Å; A223-K226 VanDerWaalsContact O-N 3.15Å; A223-F266 HydrophobicContact CB-CD1 3.83Å; A223-F266 HydrophobicContact CB-CE1 4.33Å; A223-L268 HydrophobicContact CB-CD1 3.97Å; A223-F286 HydrophobicContact CB-CB 3.59Å; A223-F286 HydrophobicContact CB-CD1 4.16Å; A223-F286 HydrophobicContact CB-CD2 3.71Å; A223-F286 HydrophobicContact CB-CE2 4.39Å; A223-F286 HydrophobicContact CB-CG 3.56Å
224L93.3Very high92.4Very high45 Ų4537.8 Ų37.824%0.23618%0.179CC..Hα-helixtrans-66.1-37.4175-74.9171.7000111.7K88 R220 L221 K226K88-L224 HydrophobicContact CB-CD1 3.96Å; R220-L224 HydrophobicContact CG-CD1 4.25Å; R220-L224 HydrophobicContact CG-CG 4.5Å; R220-L224 WeakPolarHBondContact O-CG 3.41Å; R220-L224 PolarHBondContact O-N 2.82Å; L221-L224 PolarHBondContact O-N 2.86Å; L224-K226 PolarHBondContact O-N 2.86Å
225R93.6Very high92.3Very high69 Ų6937.8 Ų37.826%0.2618%0.178SC..THydrogen-bonded Turntrans-72.6-13.2173.7-71.4178.2174.4-166.8-7.4113.1F77 S80 E85 L221 M222 A223 K227F77-R225 VanDerWaalsContact CE2-NH1 3.28Å; S80-R225 PolarHBondContact O-NH2 2.86Å; S80-R225 PolarHBondContact OG-NH1 2.76Å; E85-R225 VanDerWaalsContact OE1-CG 3.29Å; E85-R225 WeakPolarHBondContact OE1-CG 3.01Å; E85-R225 IonicContact OE1-CZ 3.85Å; E85-R225 IonicContact OE1-NE 3.65Å; E85-R225 PolarHBondContact OE1-NE 3.25Å; E85-R225 IonicContact OE1-NH2 2.7Å; E85-R225 IonicContact OE2-CZ 2.73Å; E85-R225 IonicContact OE2-NE 2.9Å; E85-R225 PolarHBondContact OE2-NE 3.29Å; E85-R225 IonicContact OE2-NH2 3.27Å; E85-R225 PolarHBondContact OE2-NH2 3.42Å; L221-R225 WeakPolarHBondContact O-CB 3.32Å; L221-R225 WeakPolarHBondContact O-CG 3.48Å; L221-R225 PolarHBondContact O-N 2.85Å; M222-R225 PolarHBondContact O-N 2.9Å; A223-R225 VanDerWaalsContact C-N 3.34Å; R225-K227 HydrophobicContact CB-CB 4.28Å; R225-K227 PolarHBondContact O-N 2.9Å; R225-K227 VanDerWaalsContact O-N 3.17Å
226K91.3Very high92.3Very high92 Ų9238 Ų3840%0.418%0.18SC..THydrogen-bonded Turntrans46.440.4-170.2-59.7-68.6172.8-169.90111.5M222 A223 L224 F266 L287M222-K226 PolarHBondContact O-N 2.82Å; A223-K226 WeakPolarHBondContact O-CD 3.36Å; A223-K226 VanDerWaalsContact O-CE 3.28Å; A223-K226 WeakPolarHBondContact O-CE 3.44Å; A223-K226 PolarHBondContact O-N 2.89Å; A223-K226 VanDerWaalsContact O-N 3.15Å; L224-K226 PolarHBondContact O-N 2.86Å; K226-F266 HydrophobicContact CB-CE2 4.36Å; K226-F266 HydrophobicContact CD-CB 3.98Å; K226-F266 HydrophobicContact CD-CD2 3.68Å; K226-F266 HydrophobicContact CD-CE2 4.31Å; K226-F266 HydrophobicContact CD-CG 3.87Å; K226-F266 VanDerWaalsContact NZ-CB 3.26Å; K226-L287 PolarHBondContact NZ-O 3.38Å
227K88.6Confident92.2Very high136 Ų13638.5 Ų38.559%0.59118%0.183SC*.  trans-150.8114.6-173.7-174.7179.6179.4-175.30109.3M222 R225 P229M222-K227 PolarHBondContact O-N 3.39Å; R225-K227 HydrophobicContact CB-CB 4.28Å; R225-K227 PolarHBondContact O-N 2.9Å; R225-K227 VanDerWaalsContact O-N 3.17Å; K227-P229 WeakPolarHBondContact O-CD 3.38Å
228V89.2Confident92Very high14 Ų1439.5 Ų39.59%0.08519%0.188CC..  trans-96.8112.3167-164.30000107.3M222 K230 F248 E250 F266 L268M222-V228 HydrophobicContact SD-CG1 4.26Å; V228-K230 PolarHBondContact O-N 2.8Å; V228-F248 HydrophobicContact CG1-CB 3.89Å; V228-E250 HydrophobicContact CB-CB 4.15Å; V228-E250 HydrophobicContact CG2-CB 3.72Å; V228-E250 HydrophobicContact CG2-CG 4.27Å; V228-F266 HydrophobicContact CG2-CE1 4.02Å; V228-F266 HydrophobicContact CG2-CZ 3.72Å; V228-L268 HydrophobicContact CB-CD2 4.36Å; V228-L268 HydrophobicContact CG1-CD2 4.07Å; V228-L268 HydrophobicContact CG2-CD2 3.38Å; V228-L268 HydrophobicContact CG2-CG 4.24Å
229P79.6Confident91.4Very high18 Ų1846.9 Ų46.912%0.11722%0.223CC..  trans-65.4137.3179.6-17.630.6000111F77 K227 M232F77-P229 HydrophobicContact CD2-CG 3.53Å; F77-P229 HydrophobicContact CE2-CG 3.66Å; K227-P229 WeakPolarHBondContact O-CD 3.38Å; P229-M232 HydrophobicContact CB-CE 3.13Å; P229-M232 HydrophobicContact CB-CG 3.93Å; P229-M232 HydrophobicContact CB-SD 3.41Å; P229-M232 WeakPolarHBondContact CB-SD 3.41Å; P229-M232 HydrophobicContact CG-CE 3.49Å; P229-M232 VanDerWaalsContact CG-CE 3.49Å; P229-M232 HydrophobicContact CG-SD 3.57Å; P229-M232 VanDerWaalsContact CG-SD 3.57Å
230K85.1Confident91.1Very high179 Ų17949.8 Ų49.878%0.77824%0.243SC*.THydrogen-bonded Turntrans-76.8146.3-179.7-61.9-176.2179.2-175.70110.5V228 M232V228-K230 PolarHBondContact O-N 2.8Å; K230-M232 PolarHBondContact O-N 3.33Å
231N83.9Confident90.9Very high149 Ų14950.1 Ų50.180%0.79725%0.245SC*.THydrogen-bonded Turntrans62.220.3173.1-47.6-28.3000115.2
232M91Very high90.7Very high24 Ų2455.3 Ų55.312%0.11827%0.269CS..  trans-79.7126.9171.1-75.4-172.8-173.600110.5E73 A74 F77 P229 K230 F234E73-M232 HydrophobicContact CB-CE 3.85Å; E73-M232 HydrophobicContact CB-CG 3.79Å; E73-M232 VanDerWaalsContact O-CE 3.25Å; E73-M232 WeakPolarHBondContact O-CE 3.46Å; A74-M232 HydrophobicContact CB-CB 4.21Å; A74-M232 HydrophobicContact CB-CG 4.38Å; F77-M232 HydrophobicContact CB-CE 3.68Å; F77-M232 HydrophobicContact CB-SD 3.68Å; F77-M232 HydrophobicContact CD2-CE 4.08Å; F77-M232 HydrophobicContact CD2-SD 4.21Å; F77-M232 HydrophobicContact CG-CE 4.27Å; F77-M232 HydrophobicContact CG-SD 4.09Å; P229-M232 HydrophobicContact CB-CE 3.13Å; P229-M232 HydrophobicContact CB-CG 3.93Å; P229-M232 HydrophobicContact CB-SD 3.41Å; P229-M232 WeakPolarHBondContact CB-SD 3.41Å; P229-M232 HydrophobicContact CG-CE 3.49Å; P229-M232 VanDerWaalsContact CG-CE 3.49Å; P229-M232 HydrophobicContact CG-SD 3.57Å; P229-M232 VanDerWaalsContact CG-SD 3.57Å; K230-M232 PolarHBondContact O-N 3.33Å; M232-F234 HydrophobicContact CB-CE2 3.87Å; M232-F234 HydrophobicContact CB-CZ 4.48Å; M232-F234 HydrophobicContact SD-CE2 4.43Å; M232-F234 HydrophobicContact SD-CZ 4.22Å
233V94Very high90.6Very high36 Ų3656.6 Ų56.622%0.21828%0.276CS..EExtended strand (participates in β ladder)trans-115.2120.3172.6-178.40000107.6A70 S71 A74 Q245 T247A70-V233 CarbonylContact C-O 3.58Å; A70-V233 WeakPolarHBondContact CA-O 3.09Å; S71-V233 PolarHBondContact N-O 2.9Å; S71-V233 PolarHBondContact OG-N 3.09Å; S71-V233 PolarHBondContact OG-O 2.86Å; S71-V233 VanDerWaalsContact OG-O 3.09Å; A74-V233 VanDerWaalsContact CB-O 3.24Å; A74-V233 WeakPolarHBondContact CB-O 3.46Å; V233-Q245 HydrophobicContact CG1-CB 3.84Å; V233-Q245 HydrophobicContact CG1-CG 3.54Å; V233-T247 HydrophobicContact CG2-CG2 4.16Å
234F96.1Very high90.5Very high0 Ų057.4 Ų57.40%028%0.28CS..EExtended strand (participates in β ladder)trans-102.4161.3171.3-62.5-95.6000108.9A74 L78 V210 L218 M222 M232 Q245 T246 F248A74-F234 HydrophobicContact CB-CD1 3.72Å; A74-F234 HydrophobicContact CB-CD2 4.14Å; A74-F234 HydrophobicContact CB-CE1 3.58Å; A74-F234 HydrophobicContact CB-CE2 4.01Å; A74-F234 HydrophobicContact CB-CG 3.99Å; A74-F234 HydrophobicContact CB-CZ 3.73Å; L78-F234 HydrophobicContact CD1-CD1 4.33Å; L78-F234 HydrophobicContact CD1-CE1 4.09Å; L78-F234 HydrophobicContact CD2-CE1 4.11Å; L78-F234 HydrophobicContact CG-CE1 3.95Å; V210-F234 HydrophobicContact CB-CB 4.37Å; V210-F234 HydrophobicContact CG2-CB 3.69Å; V210-F234 HydrophobicContact CG2-CD1 3.5Å; V210-F234 HydrophobicContact CG2-CE1 4.33Å; V210-F234 HydrophobicContact CG2-CG 3.74Å; L218-F234 HydrophobicContact CD1-CZ 4.5Å; L218-F234 HydrophobicContact CD2-CD1 4.32Å; L218-F234 HydrophobicContact CD2-CE1 3.98Å; L218-F234 HydrophobicContact CD2-CE2 4.24Å; L218-F234 HydrophobicContact CD2-CZ 3.95Å; M222-F234 HydrophobicContact CE-CE2 4.14Å; M222-F234 HydrophobicContact CE-CZ 4.25Å; M232-F234 HydrophobicContact CB-CE2 3.87Å; M232-F234 HydrophobicContact CB-CZ 4.48Å; M232-F234 HydrophobicContact SD-CE2 4.43Å; M232-F234 HydrophobicContact SD-CZ 4.22Å; F234-Q245 CarbonylContact O-C 3.51Å; F234-Q245 VanDerWaalsContact O-CA 3.3Å; F234-Q245 WeakPolarHBondContact O-CA 3.48Å; F234-T246 HydrophobicContact CB-CG2 3.72Å; F234-T246 PolarHBondContact N-O 3.38Å; F234-T246 PolarHBondContact O-N 2.77Å; F234-F248 AromaticContact CD2-CD2 3.84Å; F234-F248 HydrophobicContact CD2-CD2 3.84Å; F234-F248 AromaticContact CD2-CE2 3.73Å; F234-F248 HydrophobicContact CD2-CE2 3.73Å; F234-F248 AromaticContact CE2-CD2 3.85Å; F234-F248 HydrophobicContact CE2-CD2 3.85Å; F234-F248 HydrophobicContact CE2-CE2 4Å; F234-F248 HydrophobicContact CG-CE2 4.45Å
235I95.8Very high90.5Very high0 Ų058.3 Ų58.30%028%0.283CS..EExtended strand (participates in β ladder)trans-98.8151.1172.665-175000110.4A70 V205 G208 L209 V210 I243 N244A70-I235 HydrophobicContact CB-CG2 4.29Å; V205-I235 WeakPolarHBondContact O-CD1 3.35Å; G208-I235 PolarHBondContact O-N 2.81Å; L209-I235 WeakPolarHBondContact CA-O 3.33Å; L209-I235 HydrophobicContact CB-CD1 4.4Å; L209-I235 HydrophobicContact CB-CG1 4.11Å; L209-I235 HydrophobicContact CD1-CG1 4.32Å; V210-I235 PolarHBondContact N-O 3.21Å; I235-I243 HydrophobicContact CB-CG2 4.07Å; I235-I243 HydrophobicContact CG2-CG2 4.21Å; I235-N244 CarbonylContact C-O 3.52Å; I235-N244 VanDerWaalsContact CA-O 3.24Å; I235-N244 WeakPolarHBondContact CA-O 3.34Å
236I95.8Very high90.5Very high5 Ų555 Ų553%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-133.9169.7174.762.6174.4000108.2V210 I243 N244 T246 V272V210-I236 WeakPolarHBondContact O-CG2 3.5Å; I236-I243 WeakPolarHBondContact O-CA 3.32Å; I236-N244 HydrophobicContact CD1-CB 4.22Å; I236-N244 HydrophobicContact CG1-CB 3.83Å; I236-N244 PolarHBondContact N-O 3.2Å; I236-N244 PolarHBondContact O-N 3.2Å; I236-T246 HydrophobicContact CG2-CG2 3.33Å; I236-V272 HydrophobicContact CD1-CB 4.42Å; I236-V272 HydrophobicContact CD1-CG1 3.33Å
237L93.6Very high90.7Very high31 Ų3153 Ų5316%0.16227%0.267CS..EExtended strand (participates in β ladder)trans-105.7130162-58.6179.3000108.3M174 I183 Y201 L206 L209 H242 I243M174-L237 HydrophobicContact CE-CD1 3.6Å; I183-L237 HydrophobicContact CD1-CD1 3.19Å; I183-L237 HydrophobicContact CG1-CD1 4.45Å; Y201-L237 HydrophobicContact CD2-CD2 4.44Å; Y201-L237 HydrophobicContact CE2-CD1 4.49Å; Y201-L237 HydrophobicContact CE2-CD2 4.09Å; L206-L237 HydrophobicContact CD2-CD2 4.24Å; L209-L237 HydrophobicContact CD1-CG 4.13Å; L237-H242 WeakPolarHBondContact CA-O 3.38Å; L237-I243 HydrophobicContact CD2-CB 4.49Å; L237-I243 HydrophobicContact CD2-CG1 3.78Å
238D89.3Confident91.1Very high20 Ų2047.4 Ų47.411%0.10724%0.242CC..  trans-76.6-175.117772.217.1000111.9S240 L241 H242 N244D238-S240 PolarHBondContact O-N 3Å; D238-S240 VanDerWaalsContact OD1-C 3.29Å; D238-S240 WeakPolarHBondContact OD1-CA 3.5Å; D238-S240 WeakPolarHBondContact OD1-CB 3.19Å; D238-S240 PolarHBondContact OD1-N 2.87Å; D238-L241 PolarHBondContact O-N 3.17Å; D238-L241 PolarHBondContact OD1-N 3.29Å; D238-L241 VanDerWaalsContact OD1-N 3.11Å; D238-H242 PolarHBondContact N-O 3.47Å; D238-H242 PolarHBondContact OD1-N 3.34Å; D238-H242 IonicContact OD1-ND1 3.52Å; D238-N244 HydrophobicContact CB-CB 4.42Å
239Q84.8Confident91.3Very high157 Ų15748.7 Ų48.773%0.73425%0.252SS*.THydrogen-bonded Turntrans-64.1-25-178.5-62.8-174.17.300113.1K185 L241K185-Q239 WeakPolarHBondContact CE-O 3.33Å; K185-Q239 PolarHBondContact NZ-O 3.34Å; Q239-L241 VanDerWaalsContact C-N 3.28Å
240S87.9Confident92Very high65 Ų6553.1 Ų53.146%0.45527%0.271SS..THydrogen-bonded Turntrans-9514.3176.6-56.60000111.8D238 H242D238-S240 PolarHBondContact O-N 3Å; D238-S240 VanDerWaalsContact OD1-C 3.29Å; D238-S240 WeakPolarHBondContact OD1-CA 3.5Å; D238-S240 WeakPolarHBondContact OD1-CB 3.19Å; D238-S240 PolarHBondContact OD1-N 2.87Å; S240-H242 WeakPolarHBondContact CB-ND1 3.39Å; S240-H242 PolarHBondContact O-N 3.44Å; S240-H242 PolarHBondContact O-ND1 3.44Å
241L91.3Very high92.4Very high12 Ų1246 Ų466%0.06324%0.241CC..SBendtrans6315.8179.6-49.1179.4000114.6I183 K185 E197 V199 Y201 D238 Q239I183-L241 HydrophobicContact CG2-CD1 4.05Å; I183-L241 HydrophobicContact CG2-CD2 4.02Å; K185-L241 HydrophobicContact CB-CD1 4.02Å; K185-L241 HydrophobicContact CD-CD1 4.29Å; K185-L241 HydrophobicContact CD-CD2 4.16Å; K185-L241 HydrophobicContact CD-CG 4.21Å; E197-L241 HydrophobicContact CB-CD1 4.22Å; V199-L241 HydrophobicContact CG1-CB 4.42Å; V199-L241 HydrophobicContact CG1-CD1 4.18Å; V199-L241 HydrophobicContact CG2-CB 3.84Å; V199-L241 HydrophobicContact CG2-CD1 3.67Å; V199-L241 HydrophobicContact CG2-CG 4.37Å; Y201-L241 WeakPolarHBondContact CE2-O 3.47Å; Y201-L241 PolarHBondContact OH-O 2.98Å; D238-L241 PolarHBondContact O-N 3.17Å; D238-L241 PolarHBondContact OD1-N 3.29Å; D238-L241 VanDerWaalsContact OD1-N 3.11Å; Q239-L241 VanDerWaalsContact C-N 3.28Å
242H90.7Very high92.5Very high109 Ų10946 Ų4651%0.50524%0.241SC..  trans-81.7148.9174.1-59.1108.6000111.1L237 D238 S240 N244L237-H242 WeakPolarHBondContact CA-O 3.38Å; D238-H242 PolarHBondContact N-O 3.47Å; D238-H242 PolarHBondContact OD1-N 3.34Å; D238-H242 IonicContact OD1-ND1 3.52Å; S240-H242 WeakPolarHBondContact CB-ND1 3.39Å; S240-H242 PolarHBondContact O-N 3.44Å; S240-H242 PolarHBondContact O-ND1 3.44Å; H242-N244 PolarHBondContact O-N 3.35Å
243I93.1Very high91.9Very high27 Ų2749.3 Ų49.314%0.13826%0.262CS..EExtended strand (participates in β ladder)trans-67.8125.1175.8-57.3178000109.1F68 Y201 V205 L206 I235 I236 L237F68-I243 HydrophobicContact CB-CB 4.49Å; F68-I243 HydrophobicContact CB-CG2 3.73Å; Y201-I243 HydrophobicContact CD1-CD1 4.14Å; Y201-I243 HydrophobicContact CE1-CD1 4.09Å; Y201-I243 HydrophobicContact CE1-CG1 4.17Å; V205-I243 HydrophobicContact CG1-CD1 3.5Å; L206-I243 HydrophobicContact CD2-CD1 4.21Å; L206-I243 HydrophobicContact CD2-CG1 4.44Å; I235-I243 HydrophobicContact CB-CG2 4.07Å; I235-I243 HydrophobicContact CG2-CG2 4.21Å; I236-I243 WeakPolarHBondContact O-CA 3.32Å; L237-I243 HydrophobicContact CD2-CB 4.49Å; L237-I243 HydrophobicContact CD2-CG1 3.78Å
244N92.8Very high91.7Very high18 Ų1851.8 Ų51.810%0.09627%0.27CS..EExtended strand (participates in β ladder)trans-134.1-171.8175.1-149.2-51.8000109.5I235 I236 D238 H242 G273 S274 A275I235-N244 CarbonylContact C-O 3.52Å; I235-N244 VanDerWaalsContact CA-O 3.24Å; I235-N244 WeakPolarHBondContact CA-O 3.34Å; I236-N244 HydrophobicContact CD1-CB 4.22Å; I236-N244 HydrophobicContact CG1-CB 3.83Å; I236-N244 PolarHBondContact N-O 3.2Å; I236-N244 PolarHBondContact O-N 3.2Å; D238-N244 HydrophobicContact CB-CB 4.42Å; H242-N244 PolarHBondContact O-N 3.35Å; N244-G273 WeakPolarHBondContact OD1-CA 3.37Å; N244-S274 WeakPolarHBondContact ND2-CA 3.39Å; N244-S274 PolarHBondContact ND2-N 2.79Å; N244-A275 PolarHBondContact ND2-N 2.97Å
245Q93.3Very high91.4Very high63 Ų6358.7 Ų58.729%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-119.1151.5-176-73.2174.4-11.200112.9F68 V233 F234 G273F68-Q245 HydrophobicContact CD1-CG 3.88Å; V233-Q245 HydrophobicContact CG1-CB 3.84Å; V233-Q245 HydrophobicContact CG1-CG 3.54Å; F234-Q245 CarbonylContact O-C 3.51Å; F234-Q245 VanDerWaalsContact O-CA 3.3Å; F234-Q245 WeakPolarHBondContact O-CA 3.48Å; Q245-G273 WeakPolarHBondContact O-CA 3.46Å; Q245-G273 PolarHBondContact O-N 2.7Å
246T94.5Very high91.1Very high1 Ų159.8 Ų59.81%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-133.4145168-167.80000110.4V210 F234 I236 F248 R270 M271V210-T246 HydrophobicContact CB-CG2 4.32Å; F234-T246 HydrophobicContact CB-CG2 3.72Å; F234-T246 PolarHBondContact N-O 3.38Å; F234-T246 PolarHBondContact O-N 2.77Å; I236-T246 HydrophobicContact CG2-CG2 3.33Å; T246-F248 HydrophobicContact CG2-CE2 4.1Å; T246-F248 HydrophobicContact CG2-CZ 4.5Å; T246-R270 WeakPolarHBondContact OG1-CG 3.4Å; T246-R270 PolarHBondContact OG1-NE 3.29Å; T246-M271 WeakPolarHBondContact CA-O 3.28Å; T246-M271 WeakPolarHBondContact CB-O 3.28Å; T246-M271 PolarHBondContact OG1-O 3.18Å
247T95.1Very high90.5Very high50 Ų5065.3 Ų65.331%0.30733%0.334SS..EExtended strand (participates in β ladder)trans-129.2158.9178.561.30000110.5V233 R270 M271V233-T247 HydrophobicContact CG2-CG2 4.16Å; T247-R270 WeakPolarHBondContact O-CA 3.3Å; T247-M271 PolarHBondContact N-O 3.24Å; T247-M271 PolarHBondContact O-N 2.9Å
248F95.4Very high89.9Confident17 Ų1764.2 Ų64.28%0.07533%0.328CS..EExtended strand (participates in β ladder)trans-127.2137.3178.6-60.9-93.1000110.2L218 M219 M222 V228 F234 T246 E269 R270L218-F248 HydrophobicContact CD2-CE2 3.74Å; L218-F248 HydrophobicContact CD2-CZ 3.86Å; M219-F248 HydrophobicContact CG-CD1 3.94Å; M219-F248 HydrophobicContact CG-CE1 3.49Å; M219-F248 VanDerWaalsContact CG-CE1 3.49Å; M219-F248 HydrophobicContact SD-CE1 4.1Å; M222-F248 HydrophobicContact CE-CB 4.17Å; M222-F248 HydrophobicContact CE-CD2 3.93Å; M222-F248 HydrophobicContact CE-CG 3.99Å; M222-F248 HydrophobicContact SD-CB 3.93Å; M222-F248 HydrophobicContact SD-CD1 4.2Å; M222-F248 HydrophobicContact SD-CD2 4.5Å; M222-F248 HydrophobicContact SD-CG 3.96Å; V228-F248 HydrophobicContact CG1-CB 3.89Å; F234-F248 AromaticContact CD2-CD2 3.84Å; F234-F248 HydrophobicContact CD2-CD2 3.84Å; F234-F248 AromaticContact CD2-CE2 3.73Å; F234-F248 HydrophobicContact CD2-CE2 3.73Å; F234-F248 AromaticContact CE2-CD2 3.85Å; F234-F248 HydrophobicContact CE2-CD2 3.85Å; F234-F248 HydrophobicContact CE2-CE2 4Å; F234-F248 HydrophobicContact CG-CE2 4.45Å; T246-F248 HydrophobicContact CG2-CE2 4.1Å; T246-F248 HydrophobicContact CG2-CZ 4.5Å; F248-E269 CarbonylContact C-O 3.52Å; F248-E269 VanDerWaalsContact CA-O 3.24Å; F248-E269 WeakPolarHBondContact CA-O 3.46Å; F248-R270 HydrophobicContact CD1-CB 3.85Å; F248-R270 HydrophobicContact CD1-CG 4.06Å; F248-R270 HydrophobicContact CE1-CB 3.69Å; F248-R270 HydrophobicContact CE1-CG 3.53Å; F248-R270 HydrophobicContact CZ-CG 3.9Å
249S94.8Very high89.2Confident41 Ų4170.6 Ų70.629%0.28735%0.351SS..EExtended strand (participates in β ladder)trans-132.5148.6178.144.60000110.2E269S249-E269 PolarHBondContact N-O 3.49Å; S249-E269 PolarHBondContact O-N 2.88Å; S249-E269 WeakPolarHBondContact OG-CB 3.11Å; S249-E269 PolarHBondContact OG-OE1 3.44Å
250E94.9Very high88.7Confident112 Ų11266.2 Ų66.252%0.52335%0.347SS..EExtended strand (participates in β ladder)trans-75135.1171.8-171172.6176.600109.2V228 F266V228-E250 HydrophobicContact CB-CB 4.15Å; V228-E250 HydrophobicContact CG2-CB 3.72Å; V228-E250 HydrophobicContact CG2-CG 4.27Å; E250-F266 HydrophobicContact CG-CE2 4.17Å; E250-F266 HydrophobicContact CG-CZ 4.23Å
251L93.3Very high88.5Confident29 Ų2969.6 Ų69.615%0.15236%0.356CS..EExtended strand (participates in β ladder)trans-96.7155.3169.2-67.5172.2000109.8G267 L268 E269 H283 Y285L251-G267 PolarHBondContact N-O 3.35Å; L251-L268 WeakPolarHBondContact CD1-O 3.26Å; L251-E269 HydrophobicContact CD1-CB 4.12Å; L251-E269 HydrophobicContact CD2-CB 3.82Å; L251-E269 HydrophobicContact CG-CB 3.82Å; L251-H283 HydrophobicContact CD1-CB 3.94Å; L251-Y285 HydrophobicContact CD1-CE1 4.48Å
252D84.5Confident88.4Confident148 Ų14872.9 Ų72.979%0.79138%0.377SS*.EExtended strand (participates in β ladder)trans-54.7147.3177-70-40.5000112.1K254D252-K254 PolarHBondContact O-N 3Å
253V79.3Confident88.4Confident94 Ų9469.5 Ų69.557%0.5736%0.363SS*.EExtended strand (participates in β ladder)trans-54.2129.3173.6178.40000109.3E264V253-E264 HydrophobicContact CG1-CG 3.27Å
254K89.1Confident88.4Confident89 Ų8974.8 Ų74.839%0.38739%0.388SS..EExtended strand (participates in β ladder)trans-127.8137.3-177.3-174.4177.5-174.8173.80109.9D252 M256 V265 Y285D252-K254 PolarHBondContact O-N 3Å; K254-M256 HydrophobicContact CD-CG 4.29Å; K254-M256 HydrophobicContact CD-SD 4.45Å; K254-M256 HydrophobicContact CG-CG 4.22Å; K254-V265 HydrophobicContact CB-CG2 3.93Å; K254-V265 HydrophobicContact CG-CG2 4.46Å; K254-V265 WeakPolarHBondContact O-CG2 3.34Å; K254-V265 PolarHBondContact O-N 2.86Å; K254-Y285 HydrophobicContact CB-CD1 4.2Å; K254-Y285 HydrophobicContact CB-CE1 3.82Å; K254-Y285 HydrophobicContact CD-CD1 4.01Å; K254-Y285 HydrophobicContact CD-CE1 3.42Å; K254-Y285 VanDerWaalsContact CD-CE1 3.42Å; K254-Y285 HydrophobicContact CD-CE2 4.3Å; K254-Y285 HydrophobicContact CG-CE1 4.29Å
255E90.3Very high88.5Confident145 Ų14574 Ų7468%0.67838%0.384SS*.EExtended strand (participates in β ladder)trans-88.5134.7167.9-69.1-173.4166.200109.9T262 V263E255-T262 HydrophobicContact CB-CG2 3.78Å; E255-T262 HydrophobicContact CG-CG2 4.2Å; E255-V263 WeakPolarHBondContact CA-O 3.22Å
256M88.6Confident88.6Confident22 Ų2272 Ų7211%0.10837%0.374CS..EExtended strand (participates in β ladder)trans-134.8142.4-180-76.3-172.464.400111.1K254 V258 T262 V263 V265 Y285 A293 S294K254-M256 HydrophobicContact CD-CG 4.29Å; K254-M256 HydrophobicContact CD-SD 4.45Å; K254-M256 HydrophobicContact CG-CG 4.22Å; M256-V258 HydrophobicContact CB-CG2 4.26Å; M256-V258 PolarHBondContact O-N 3.44Å; M256-T262 WeakPolarHBondContact O-CA 3.36Å; M256-V263 PolarHBondContact N-O 3.42Å; M256-V263 PolarHBondContact O-N 2.77Å; M256-V265 HydrophobicContact CB-CG1 4.13Å; M256-V265 HydrophobicContact CB-CG2 4.25Å; M256-V265 HydrophobicContact CG-CG1 4.42Å; M256-V265 HydrophobicContact CG-CG2 3.74Å; M256-V265 HydrophobicContact SD-CB 4.46Å; M256-V265 HydrophobicContact SD-CG1 4.22Å; M256-V265 HydrophobicContact SD-CG2 3.6Å; M256-V265 VanDerWaalsContact SD-CG2 3.6Å; M256-Y285 HydrophobicContact SD-CD2 4.49Å; M256-Y285 HydrophobicContact SD-CG 4.09Å; M256-A293 HydrophobicContact CE-CB 4.38Å; M256-S294 VanDerWaalsContact CE-CB 3.5Å
257Q84.3Confident88.7Confident122 Ų12272 Ų7257%0.5737%0.374SS*.EExtended strand (participates in β ladder)trans-77.7111.4169.8-73.6-68.4-3.300109.5E261 T262Q257-E261 WeakPolarHBondContact CA-O 3.37Å; Q257-E261 PolarHBondContact OE1-O 3.45Å; Q257-T262 PolarHBondContact NE2-OG1 3.03Å
258V80.1Confident88.7Confident8 Ų869.6 Ų69.65%0.04836%0.36CS..EExtended strand (participates in β ladder)trans-129.3122.5177.5178.50000107.2M256 G260 E261 V263 L287 A293 F306M256-V258 HydrophobicContact CB-CG2 4.26Å; M256-V258 PolarHBondContact O-N 3.44Å; V258-G260 PolarHBondContact O-N 3.29Å; V258-E261 PolarHBondContact N-O 2.97Å; V258-E261 PolarHBondContact O-N 2.84Å; V258-E261 VanDerWaalsContact O-O 3.09Å; V258-V263 HydrophobicContact CB-CG2 3.68Å; V258-V263 HydrophobicContact CG2-CG2 3.61Å; V258-L287 HydrophobicContact CG1-CD1 4.28Å; V258-L287 HydrophobicContact CG1-CD2 4.28Å; V258-L287 HydrophobicContact CG2-CD2 4.25Å; V258-A293 HydrophobicContact CG2-CB 4.25Å; V258-F306 HydrophobicContact CG1-CD1 3.76Å; V258-F306 HydrophobicContact CG1-CE1 4.17Å
259R74.4Confident88.7Confident154 Ų15471 Ų7158%0.58137%0.366SS*.THydrogen-bonded Turntrans58.528.2-177.2-57.1176.5-178-163-0.9114.9E261 F306 Q308R259-E261 PolarHBondContact O-N 3.29Å; R259-F306 HydrophobicContact CG-CE1 3.65Å; R259-F306 HydrophobicContact CG-CZ 4.37Å; R259-Q308 HydrophobicContact CB-CG 4.42Å; R259-Q308 HydrophobicContact CG-CB 4.49Å; R259-Q308 HydrophobicContact CG-CG 4.38Å; R259-Q308 PolarHBondContact O-OE1 3.33Å
260G76.3Confident88.7Confident64 Ų6469.2 Ų69.266%0.6635%0.353SS*.THydrogen-bonded Turntrans77.15.9-177.700000114.1V258V258-G260 PolarHBondContact O-N 3.29Å
261E83.4Confident88.7Confident137 Ų13767.1 Ų67.164%0.6434%0.344SS*.EExtended strand (participates in β ladder)trans-110.4138.5174.4-63.8-177.9170.500109.7Q257 V258 R259 V263Q257-E261 WeakPolarHBondContact CA-O 3.37Å; Q257-E261 PolarHBondContact OE1-O 3.45Å; V258-E261 PolarHBondContact N-O 2.97Å; V258-E261 PolarHBondContact O-N 2.84Å; V258-E261 VanDerWaalsContact O-O 3.09Å; R259-E261 PolarHBondContact O-N 3.29Å; E261-V263 HydrophobicContact CB-CG1 4.31Å; E261-V263 PolarHBondContact O-N 3.41Å
262T89.3Confident88.6Confident80 Ų8067 Ų6749%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-75.5114.5168.4-54.60000108E255 M256 Q257E255-T262 HydrophobicContact CB-CG2 3.78Å; E255-T262 HydrophobicContact CG-CG2 4.2Å; M256-T262 WeakPolarHBondContact O-CA 3.36Å; Q257-T262 PolarHBondContact NE2-OG1 3.03Å
263V90.6Very high88.6Confident38 Ų3860.9 Ų60.923%0.2332%0.317CS..EExtended strand (participates in β ladder)trans-119.4145.5177.6-61.10000110.3E255 M256 V258 E261 V265 L287E255-V263 WeakPolarHBondContact CA-O 3.22Å; M256-V263 PolarHBondContact N-O 3.42Å; M256-V263 PolarHBondContact O-N 2.77Å; V258-V263 HydrophobicContact CB-CG2 3.68Å; V258-V263 HydrophobicContact CG2-CG2 3.61Å; E261-V263 HydrophobicContact CB-CG1 4.31Å; E261-V263 PolarHBondContact O-N 3.41Å; V263-V265 HydrophobicContact CG2-CG1 4.25Å; V263-L287 HydrophobicContact CG2-CD2 3.68Å
264E93.3Very high88.5Confident138 Ų13858.6 Ų58.665%0.64531%0.305SS*.EExtended strand (participates in β ladder)trans-75.1130.7169.7-167.1-179.8105.200109.4V253V253-E264 HydrophobicContact CG1-CG 3.27Å
265V94.3Very high87.5Confident3 Ų357.8 Ų57.82%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-116.7145.3177.9-67.10000111.1K254 M256 V263 Y285 F286 L287 A293K254-V265 HydrophobicContact CB-CG2 3.93Å; K254-V265 HydrophobicContact CG-CG2 4.46Å; K254-V265 WeakPolarHBondContact O-CG2 3.34Å; K254-V265 PolarHBondContact O-N 2.86Å; M256-V265 HydrophobicContact CB-CG1 4.13Å; M256-V265 HydrophobicContact CB-CG2 4.25Å; M256-V265 HydrophobicContact CG-CG1 4.42Å; M256-V265 HydrophobicContact CG-CG2 3.74Å; M256-V265 HydrophobicContact SD-CB 4.46Å; M256-V265 HydrophobicContact SD-CG1 4.22Å; M256-V265 HydrophobicContact SD-CG2 3.6Å; M256-V265 VanDerWaalsContact SD-CG2 3.6Å; V263-V265 HydrophobicContact CG2-CG1 4.25Å; V265-Y285 HydrophobicContact CB-CD1 4.5Å; V265-Y285 HydrophobicContact CG2-CD1 3.64Å; V265-Y285 HydrophobicContact CG2-CG 4.11Å; V265-F286 WeakPolarHBondContact CA-O 3.46Å; V265-L287 HydrophobicContact CG1-CD2 4.09Å; V265-A293 HydrophobicContact CG1-CB 3.94Å
266F95.3Very high86.3Confident20 Ų2057.4 Ų57.49%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-88.2120174.1-177.6-96.2000109.9A223 K226 V228 E250 L268 Y285 F286A223-F266 HydrophobicContact CB-CD1 3.83Å; A223-F266 HydrophobicContact CB-CE1 4.33Å; K226-F266 HydrophobicContact CB-CE2 4.36Å; K226-F266 HydrophobicContact CD-CB 3.98Å; K226-F266 HydrophobicContact CD-CD2 3.68Å; K226-F266 HydrophobicContact CD-CE2 4.31Å; K226-F266 HydrophobicContact CD-CG 3.87Å; K226-F266 VanDerWaalsContact NZ-CB 3.26Å; V228-F266 HydrophobicContact CG2-CE1 4.02Å; V228-F266 HydrophobicContact CG2-CZ 3.72Å; E250-F266 HydrophobicContact CG-CE2 4.17Å; E250-F266 HydrophobicContact CG-CZ 4.23Å; F266-L268 HydrophobicContact CD1-CD1 4.06Å; F266-L268 HydrophobicContact CD1-CG 4.19Å; F266-L268 HydrophobicContact CE1-CD1 3.83Å; F266-L268 HydrophobicContact CE1-CD2 4.32Å; F266-L268 HydrophobicContact CE1-CG 3.76Å; F266-Y285 CarbonylContact O-C 3.46Å; F266-Y285 WeakPolarHBondContact O-CA 2.95Å; F266-F286 PolarHBondContact N-O 3.34Å; F266-F286 PolarHBondContact O-N 3.44Å
267G95.4Very high84.8Confident1 Ų160.5 Ų60.51%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-96.5138.8-176.300000112.8L251 C284L251-G267 PolarHBondContact N-O 3.35Å; G267-C284 CarbonylContact C-O 3.56Å; G267-C284 WeakPolarHBondContact CA-O 3.42Å
268L95.6Very high84.1Confident0 Ų060.9 Ų60.90%035%0.352CS..EExtended strand (participates in β ladder)trans-129.6135.3177.2-86.7151.8000109.2M219 M222 A223 V228 L251 F266 H283 C284 F286M219-L268 HydrophobicContact CB-CD1 4.27Å; M219-L268 WeakPolarHBondContact O-CD1 3.28Å; M222-L268 HydrophobicContact CB-CD1 4.22Å; M222-L268 HydrophobicContact CB-CD2 4.12Å; M222-L268 HydrophobicContact SD-CD2 4.09Å; A223-L268 HydrophobicContact CB-CD1 3.97Å; V228-L268 HydrophobicContact CB-CD2 4.36Å; V228-L268 HydrophobicContact CG1-CD2 4.07Å; V228-L268 HydrophobicContact CG2-CD2 3.38Å; V228-L268 HydrophobicContact CG2-CG 4.24Å; L251-L268 WeakPolarHBondContact CD1-O 3.26Å; F266-L268 HydrophobicContact CD1-CD1 4.06Å; F266-L268 HydrophobicContact CD1-CG 4.19Å; F266-L268 HydrophobicContact CE1-CD1 3.83Å; F266-L268 HydrophobicContact CE1-CD2 4.32Å; F266-L268 HydrophobicContact CE1-CG 3.76Å; L268-H283 WeakPolarHBondContact O-CA 3.29Å; L268-C284 PolarHBondContact N-O 2.95Å; L268-C284 PolarHBondContact O-N 3.18Å; L268-F286 HydrophobicContact CB-CE2 4.41Å; L268-F286 HydrophobicContact CD1-CD2 3.77Å; L268-F286 HydrophobicContact CD1-CE2 3.58Å
269E95.8Very high84.2Confident46 Ų4665.6 Ų65.622%0.21537%0.374CS..EExtended strand (participates in β ladder)trans-109.3131.5167.6171.3177.990.300109.2F248 S249 L251 T281 W282 H283F248-E269 CarbonylContact C-O 3.52Å; F248-E269 VanDerWaalsContact CA-O 3.24Å; F248-E269 WeakPolarHBondContact CA-O 3.46Å; S249-E269 PolarHBondContact N-O 3.49Å; S249-E269 PolarHBondContact O-N 2.88Å; S249-E269 WeakPolarHBondContact OG-CB 3.11Å; S249-E269 PolarHBondContact OG-OE1 3.44Å; L251-E269 HydrophobicContact CD1-CB 4.12Å; L251-E269 HydrophobicContact CD2-CB 3.82Å; L251-E269 HydrophobicContact CG-CB 3.82Å; E269-T281 HydrophobicContact CG-CG2 3.54Å; E269-T281 WeakPolarHBondContact OE2-CG2 3.41Å; E269-W282 CarbonylContact C-O 3.56Å; E269-W282 VanDerWaalsContact CA-O 3.27Å; E269-W282 WeakPolarHBondContact CA-O 3.34Å; E269-H283 IonicContact OE2-CD2 3.73Å; E269-H283 IonicContact OE2-CE1 3.98Å; E269-H283 IonicContact OE2-NE2 2.81Å; E269-H283 PolarHBondContact OE2-NE2 3.01Å
270R95.7Very high85Confident4 Ų460.7 Ų60.72%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-112.2124.7168.8178.3-175.2176.8-151.3-7.3107.8E212 S215 M219 T246 T247 F248 V272 T281 W282E212-R270 IonicContact OE1-CZ 2.75Å; E212-R270 IonicContact OE1-NH1 3.79Å; E212-R270 PolarHBondContact OE1-NH1 2.73Å; E212-R270 IonicContact OE1-NH2 3.91Å; E212-R270 PolarHBondContact OE1-NH2 2.82Å; E212-R270 IonicContact OE2-NH1 2.68Å; S215-R270 PolarHBondContact OG-NH1 3.04Å; M219-R270 HydrophobicContact SD-CB 4.24Å; T246-R270 WeakPolarHBondContact OG1-CG 3.4Å; T246-R270 PolarHBondContact OG1-NE 3.29Å; T247-R270 WeakPolarHBondContact O-CA 3.3Å; F248-R270 HydrophobicContact CD1-CB 3.85Å; F248-R270 HydrophobicContact CD1-CG 4.06Å; F248-R270 HydrophobicContact CE1-CB 3.69Å; F248-R270 HydrophobicContact CE1-CG 3.53Å; F248-R270 HydrophobicContact CZ-CG 3.9Å; R270-V272 HydrophobicContact CG-CG2 4.07Å; R270-T281 CarbonylContact O-C 3.51Å; R270-T281 WeakPolarHBondContact O-CA 3.36Å; R270-W282 HydrophobicContact CB-CB 4.38Å; R270-W282 PolarHBondContact N-O 2.9Å; R270-W282 PolarHBondContact O-N 3.49Å
271M94Very high85.9Confident68 Ų6858.4 Ų58.434%0.33534%0.336SS..EExtended strand (participates in β ladder)trans-103128.7170.2-171.3-177.3-66.100108.8T246 T247 H279T246-M271 WeakPolarHBondContact CA-O 3.28Å; T246-M271 WeakPolarHBondContact CB-O 3.28Å; T246-M271 PolarHBondContact OG1-O 3.18Å; T247-M271 PolarHBondContact N-O 3.24Å; T247-M271 PolarHBondContact O-N 2.9Å; M271-H279 HydrophobicContact CG-CB 3.97Å; M271-H279 HydrophobicContact SD-CB 4.39Å
272V92Very high86.4Confident25 Ų2554 Ų5415%0.15231%0.314CS..EExtended strand (participates in β ladder)trans-113115.3-178.4-176.10000107.3I236 R270 H279 S280I236-V272 HydrophobicContact CD1-CB 4.42Å; I236-V272 HydrophobicContact CD1-CG1 3.33Å; R270-V272 HydrophobicContact CG-CG2 4.07Å; V272-H279 VanDerWaalsContact O-CA 3.32Å; V272-H279 WeakPolarHBondContact O-CA 3.3Å; V272-S280 PolarHBondContact N-O 2.96Å; V272-S280 PolarHBondContact O-N 2.83Å
273G84.3Confident86.8Confident20 Ų2052.2 Ų52.221%0.20630%0.3CS..  trans-69.7154.7177.400000112.5N244 Q245N244-G273 WeakPolarHBondContact OD1-CA 3.37Å; Q245-G273 WeakPolarHBondContact O-CA 3.46Å; Q245-G273 PolarHBondContact O-N 2.7Å
274S76.9Confident87Confident46 Ų4650.5 Ų50.532%0.32229%0.289SS..  trans-136.9154.1172.1-172.40000109.4N244 D276 A277 D278N244-S274 WeakPolarHBondContact ND2-CA 3.39Å; N244-S274 PolarHBondContact ND2-N 2.79Å; S274-D276 PolarHBondContact O-N 2.88Å; S274-A277 PolarHBondContact O-N 2.91Å; S274-D278 WeakPolarHBondContact CB-O 3.5Å
275A68.2Low87.1Confident72 Ų7245.2 Ų45.260%0.59526%0.264SS*.THydrogen-bonded Turntrans-61.3-30.4176.800000112.7N244 A277N244-A275 PolarHBondContact ND2-N 2.97Å; A275-A277 VanDerWaalsContact C-N 3.26Å; A275-A277 PolarHBondContact O-N 3Å
276D64.3Low87.1Confident138 Ų13845.4 Ų45.474%0.73826%0.264SS*.THydrogen-bonded Turntrans-86.718.3-176.2-63.4-37.6000114.2S274 D278S274-D276 PolarHBondContact O-N 2.88Å; D276-D278 PolarHBondContact O-N 2.61Å
277A57.8Low87Confident87 Ų8745.4 Ų45.472%0.71927%0.265SS*.SBendtrans63-5.5-176.100000116.4S274 A275 H279S274-A277 PolarHBondContact O-N 2.91Å; A275-A277 VanDerWaalsContact C-N 3.26Å; A275-A277 PolarHBondContact O-N 3Å; A277-H279 PolarHBondContact O-N 2.81Å
278D69.3Low86.7Confident129 Ų12951.6 Ų51.669%0.6930%0.298SS*.  trans-78.8112.1170.2-77.6-23000110.5S274 D276S274-D278 WeakPolarHBondContact CB-O 3.5Å; D276-D278 PolarHBondContact O-N 2.61Å
279H82.1Confident86.3Confident108 Ų10855.5 Ų55.550%0.532%0.319SS..  trans-93.8141.2175.956.1-82.8000110.7M271 V272 A277 T281M271-H279 HydrophobicContact CG-CB 3.97Å; M271-H279 HydrophobicContact SD-CB 4.39Å; V272-H279 VanDerWaalsContact O-CA 3.32Å; V272-H279 WeakPolarHBondContact O-CA 3.3Å; A277-H279 PolarHBondContact O-N 2.81Å; H279-T281 PolarHBondContact CD2-OG1 2.96Å
280S90.6Very high86Confident50 Ų5053.3 Ų53.335%0.3531%0.309SS..EExtended strand (participates in β ladder)trans-95.1128.8169.5-75.70000110.1V272V272-S280 PolarHBondContact N-O 2.96Å; V272-S280 PolarHBondContact O-N 2.83Å
281T94.9Very high85.7Confident16 Ų1657.3 Ų57.310%0.09832%0.324CS..EExtended strand (participates in β ladder)trans-112.2132.3179.4-56.70000110.8E269 R270 H279 Q297 V298E269-T281 HydrophobicContact CG-CG2 3.54Å; E269-T281 WeakPolarHBondContact OE2-CG2 3.41Å; R270-T281 CarbonylContact O-C 3.51Å; R270-T281 WeakPolarHBondContact O-CA 3.36Å; H279-T281 PolarHBondContact CD2-OG1 2.96Å; T281-Q297 CarbonylContact O-C 3.6Å; T281-Q297 WeakPolarHBondContact O-CA 3.35Å; T281-V298 HydrophobicContact CG2-CB 4.49Å; T281-V298 HydrophobicContact CG2-CG2 3.75Å; T281-V298 PolarHBondContact O-N 2.91Å
282W95.7Very high85.7Confident45 Ų4554.5 Ų54.517%0.1731%0.31CS..EExtended strand (participates in β ladder)trans-117.2131.8176.2-72.584.7000110.7E269 R270 R295 K296 Q297E269-W282 CarbonylContact C-O 3.56Å; E269-W282 VanDerWaalsContact CA-O 3.27Å; E269-W282 WeakPolarHBondContact CA-O 3.34Å; R270-W282 HydrophobicContact CB-CB 4.38Å; R270-W282 PolarHBondContact N-O 2.9Å; R270-W282 PolarHBondContact O-N 3.49Å; W282-R295 HydrophobicContact CE3-CG 3.73Å; W282-R295 VanDerWaalsContact CE3-NE 3.26Å; W282-R295 HydrophobicContact CZ3-CG 3.8Å; W282-K296 CarbonylContact C-O 3.41Å; W282-K296 WeakPolarHBondContact CA-O 3.33Å; W282-Q297 HydrophobicContact CD2-CB 4.03Å; W282-Q297 HydrophobicContact CD2-CG 4.42Å; W282-Q297 HydrophobicContact CE3-CB 4.02Å; W282-Q297 HydrophobicContact CH2-CB 4Å; W282-Q297 HydrophobicContact CZ2-CB 4Å; W282-Q297 HydrophobicContact CZ2-CG 4.27Å; W282-Q297 HydrophobicContact CZ3-CB 4Å
283H96.4Very high85.7Confident43 Ų4353.3 Ų53.320%0.19930%0.304CS..EExtended strand (participates in β ladder)trans-107121.3171.1-65.9172.8000109.6L251 L268 E269 Y285 R295 K296L251-H283 HydrophobicContact CD1-CB 3.94Å; L268-H283 WeakPolarHBondContact O-CA 3.29Å; E269-H283 IonicContact OE2-CD2 3.73Å; E269-H283 IonicContact OE2-CE1 3.98Å; E269-H283 IonicContact OE2-NE2 2.81Å; E269-H283 PolarHBondContact OE2-NE2 3.01Å; H283-Y285 HydrophobicContact CB-CE2 4.2Å; H283-R295 CarbonylContact O-C 3.55Å; H283-R295 WeakPolarHBondContact O-CA 3.45Å; H283-K296 PolarHBondContact N-O 2.68Å; H283-K296 PolarHBondContact O-N 3.25Å
284C95.7Very high86.2Confident1 Ų152.7 Ų52.71%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-120.1139.9175.9-63.70000109.8M219 G267 L268 F286 L292 S294M219-C284 HydrophobicContact SD-CB 4.42Å; G267-C284 CarbonylContact C-O 3.56Å; G267-C284 WeakPolarHBondContact CA-O 3.42Å; L268-C284 PolarHBondContact N-O 2.95Å; L268-C284 PolarHBondContact O-N 3.18Å; C284-F286 HydrophobicContact CB-CD2 4.34Å; C284-F286 HydrophobicContact CB-CE2 3.53Å; C284-F286 HydrophobicContact CB-CZ 4.04Å; C284-L292 HydrophobicContact CB-CD1 3.98Å; C284-S294 CarbonylContact C-O 3.6Å; C284-S294 WeakPolarHBondContact CA-O 3.35Å
285Y95.5Very high87Confident28 Ų2851 Ų5111%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-125128.1177.7-66.5-88.1000109.4L251 K254 M256 V265 F266 H283 A293 S294L251-Y285 HydrophobicContact CD1-CE1 4.48Å; K254-Y285 HydrophobicContact CB-CD1 4.2Å; K254-Y285 HydrophobicContact CB-CE1 3.82Å; K254-Y285 HydrophobicContact CD-CD1 4.01Å; K254-Y285 HydrophobicContact CD-CE1 3.42Å; K254-Y285 VanDerWaalsContact CD-CE1 3.42Å; K254-Y285 HydrophobicContact CD-CE2 4.3Å; K254-Y285 HydrophobicContact CG-CE1 4.29Å; M256-Y285 HydrophobicContact SD-CD2 4.49Å; M256-Y285 HydrophobicContact SD-CG 4.09Å; V265-Y285 HydrophobicContact CB-CD1 4.5Å; V265-Y285 HydrophobicContact CG2-CD1 3.64Å; V265-Y285 HydrophobicContact CG2-CG 4.11Å; F266-Y285 CarbonylContact O-C 3.46Å; F266-Y285 WeakPolarHBondContact O-CA 2.95Å; H283-Y285 HydrophobicContact CB-CE2 4.2Å; Y285-A293 WeakPolarHBondContact O-CB 3.46Å; Y285-A293 PolarHBondContact O-N 2.86Å; Y285-S294 PolarHBondContact N-O 2.88Å; Y285-S294 PolarHBondContact O-N 3.11Å
286F94.1Very high88.3Confident6 Ų650.9 Ų50.93%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-118.6143.9-174-64.5-92.7000111.5M219 R220 A223 V265 F266 L268 C284 G290 Y291 L292M219-F286 HydrophobicContact CB-CE2 4.1Å; M219-F286 HydrophobicContact CB-CZ 3.82Å; R220-F286 HydrophobicContact CB-CE1 4.25Å; A223-F286 HydrophobicContact CB-CB 3.59Å; A223-F286 HydrophobicContact CB-CD1 4.16Å; A223-F286 HydrophobicContact CB-CD2 3.71Å; A223-F286 HydrophobicContact CB-CE2 4.39Å; A223-F286 HydrophobicContact CB-CG 3.56Å; V265-F286 WeakPolarHBondContact CA-O 3.46Å; F266-F286 PolarHBondContact N-O 3.34Å; F266-F286 PolarHBondContact O-N 3.44Å; L268-F286 HydrophobicContact CB-CE2 4.41Å; L268-F286 HydrophobicContact CD1-CD2 3.77Å; L268-F286 HydrophobicContact CD1-CE2 3.58Å; C284-F286 HydrophobicContact CB-CD2 4.34Å; C284-F286 HydrophobicContact CB-CE2 3.53Å; C284-F286 HydrophobicContact CB-CZ 4.04Å; F286-G290 WeakPolarHBondContact CD1-O 3.49Å; F286-Y291 CarbonylContact C-O 3.53Å; F286-Y291 VanDerWaalsContact CA-O 3.32Å; F286-Y291 WeakPolarHBondContact CA-O 3.15Å; F286-L292 HydrophobicContact CD1-CB 4.42Å; F286-L292 HydrophobicContact CD1-CD1 4.06Å; F286-L292 HydrophobicContact CE1-CB 4.31Å; F286-L292 HydrophobicContact CE1-CD1 3.68Å; F286-L292 HydrophobicContact CE2-CD1 4.16Å; F286-L292 HydrophobicContact CG-CD1 4.47Å; F286-L292 HydrophobicContact CZ-CD1 3.74Å
287L92.1Very high89.7Confident21 Ų2147.6 Ų47.611%0.1125%0.249CC..  trans-69.8168.6170-65174.9000111.1K226 V258 V263 V265 N289 G290 Y291 A293K226-L287 PolarHBondContact NZ-O 3.38Å; V258-L287 HydrophobicContact CG1-CD1 4.28Å; V258-L287 HydrophobicContact CG1-CD2 4.28Å; V258-L287 HydrophobicContact CG2-CD2 4.25Å; V263-L287 HydrophobicContact CG2-CD2 3.68Å; V265-L287 HydrophobicContact CG1-CD2 4.09Å; L287-N289 WeakPolarHBondContact CB-OD1 3.45Å; L287-N289 PolarHBondContact O-N 3.31Å; L287-G290 PolarHBondContact O-N 2.69Å; L287-G290 VanDerWaalsContact O-N 3.09Å; L287-Y291 PolarHBondContact N-O 3.41Å; L287-A293 HydrophobicContact CD2-CB 4.33Å; L287-A293 HydrophobicContact CG-CB 4.26Å
288D89.2Confident91.4Very high130 Ų13047 Ų4770%0.69524%0.236SC*.THydrogen-bonded Turntrans-58.3-34.7175.664-18000113.1G290D288-G290 VanDerWaalsContact C-N 3.28Å; D288-G290 PolarHBondContact O-N 3.13Å
289N87.1Confident92.3Very high83 Ų8344.5 Ų44.544%0.44424%0.241SC..THydrogen-bonded Turntrans-82.43.117767.15.1000114.3L287 Y291L287-N289 WeakPolarHBondContact CB-OD1 3.45Å; L287-N289 PolarHBondContact O-N 3.31Å; N289-Y291 HydrophobicContact CB-CD2 4.42Å; N289-Y291 VanDerWaalsContact CG-CD2 3.49Å; N289-Y291 WeakPolarHBondContact ND2-CD2 3.49Å; N289-Y291 WeakPolarHBondContact OD1-CB 3.31Å; N289-Y291 WeakPolarHBondContact OD1-CD2 3.45Å; N289-Y291 PolarHBondContact OD1-N 3.44Å; N289-Y291 VanDerWaalsContact OD1-N 3.13Å
290G89.5Confident92.6Very high0 Ų040.9 Ų40.90%023%0.228CC..SBendtrans86.1-1177.100000115.9R220 F286 L287 D288R220-G290 PolarHBondContact NE-O 3.45Å; R220-G290 PolarHBondContact NH1-O 3.18Å; R220-G290 VanDerWaalsContact NH1-O 3.13Å; R220-G290 PolarHBondContact NH2-O 3.22Å; F286-G290 WeakPolarHBondContact CD1-O 3.49Å; L287-G290 PolarHBondContact O-N 2.69Å; L287-G290 VanDerWaalsContact O-N 3.09Å; D288-G290 VanDerWaalsContact C-N 3.28Å; D288-G290 PolarHBondContact O-N 3.13Å
291Y90.7Very high92.5Very high88 Ų8841.8 Ų41.835%0.34523%0.233SC..  trans-70146.2173.6-81.2-99.7000111.9E93 F286 L287 N289 A293E93-Y291 HydrophobicContact CB-CD1 3.84Å; E93-Y291 HydrophobicContact CB-CE1 4.07Å; E93-Y291 WeakPolarHBondContact OE2-CA 3.48Å; E93-Y291 VanDerWaalsContact OE2-CD1 3.32Å; E93-Y291 WeakPolarHBondContact OE2-CD1 3.03Å; F286-Y291 CarbonylContact C-O 3.53Å; F286-Y291 VanDerWaalsContact CA-O 3.32Å; F286-Y291 WeakPolarHBondContact CA-O 3.15Å; L287-Y291 PolarHBondContact N-O 3.41Å; N289-Y291 HydrophobicContact CB-CD2 4.42Å; N289-Y291 VanDerWaalsContact CG-CD2 3.49Å; N289-Y291 WeakPolarHBondContact ND2-CD2 3.49Å; N289-Y291 WeakPolarHBondContact OD1-CB 3.31Å; N289-Y291 WeakPolarHBondContact OD1-CD2 3.45Å; N289-Y291 PolarHBondContact OD1-N 3.44Å; N289-Y291 VanDerWaalsContact OD1-N 3.13Å; Y291-A293 PolarHBondContact O-N 3.08Å
292L93.3Very high92.3Very high8 Ų841.8 Ų41.84%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-78.4119178.6-171.668.3000110.2E93 L95 F108 C284 F286 S294 R295E93-L292 WeakPolarHBondContact OE1-CB 3.36Å; E93-L292 PolarHBondContact OE2-N 2.88Å; L95-L292 HydrophobicContact CD1-CB 4.29Å; L95-L292 HydrophobicContact CD1-CD2 4.3Å; L95-L292 HydrophobicContact CD2-CB 4.45Å; L95-L292 HydrophobicContact CD2-CD2 3.89Å; L95-L292 HydrophobicContact CD2-CG 3.94Å; F108-L292 HydrophobicContact CE1-CD2 3.91Å; C284-L292 HydrophobicContact CB-CD1 3.98Å; F286-L292 HydrophobicContact CD1-CB 4.42Å; F286-L292 HydrophobicContact CD1-CD1 4.06Å; F286-L292 HydrophobicContact CE1-CB 4.31Å; F286-L292 HydrophobicContact CE1-CD1 3.68Å; F286-L292 HydrophobicContact CE2-CD1 4.16Å; F286-L292 HydrophobicContact CG-CD1 4.47Å; F286-L292 HydrophobicContact CZ-CD1 3.74Å; L292-S294 WeakPolarHBondContact CD1-O 3.28Å; L292-R295 HydrophobicContact CD1-CB 4.44Å; L292-R295 HydrophobicContact CD2-CB 3.96Å
293A92.8Very high92.1Very high1 Ų140.7 Ų40.71%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-87.1-37175.100000111.9M256 V258 V265 Y285 L287 Y291 F306M256-A293 HydrophobicContact CE-CB 4.38Å; V258-A293 HydrophobicContact CG2-CB 4.25Å; V265-A293 HydrophobicContact CG1-CB 3.94Å; Y285-A293 WeakPolarHBondContact O-CB 3.46Å; Y285-A293 PolarHBondContact O-N 2.86Å; L287-A293 HydrophobicContact CD2-CB 4.33Å; L287-A293 HydrophobicContact CG-CB 4.26Å; Y291-A293 PolarHBondContact O-N 3.08Å; A293-F306 PolarHBondContact O-N 3.12Å
294S94.1Very high92Very high6 Ų639.7 Ų39.74%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-157.7147.2179.1178.80000111.7M256 C284 Y285 L292 M304M256-S294 VanDerWaalsContact CE-CB 3.5Å; C284-S294 CarbonylContact C-O 3.6Å; C284-S294 WeakPolarHBondContact CA-O 3.35Å; Y285-S294 PolarHBondContact N-O 2.88Å; Y285-S294 PolarHBondContact O-N 3.11Å; L292-S294 WeakPolarHBondContact CD1-O 3.28Å; S294-M304 CarbonylContact C-O 3.58Å; S294-M304 WeakPolarHBondContact CA-O 3.31Å; S294-M304 PolarHBondContact OG-O 3.23Å
295R94.6Very high91.8Very high12 Ų1243.4 Ų43.45%0.04524%0.242CC..EExtended strand (participates in β ladder)trans-137.9134.8170.9171.7174.4-177160.41.2110.3E212 W282 H283 L292 M304E212-R295 IonicContact OE2-NH2 3.89Å; W282-R295 HydrophobicContact CE3-CG 3.73Å; W282-R295 VanDerWaalsContact CE3-NE 3.26Å; W282-R295 HydrophobicContact CZ3-CG 3.8Å; H283-R295 CarbonylContact O-C 3.55Å; H283-R295 WeakPolarHBondContact O-CA 3.45Å; L292-R295 HydrophobicContact CD1-CB 4.44Å; L292-R295 HydrophobicContact CD2-CB 3.96Å; R295-M304 HydrophobicContact CB-CB 4.27Å; R295-M304 HydrophobicContact CB-SD 4.22Å; R295-M304 HydrophobicContact CG-SD 4.07Å; R295-M304 PolarHBondContact N-O 3.48Å; R295-M304 PolarHBondContact O-N 3.08Å
296K94.1Very high91.2Very high68 Ų6844.3 Ų44.330%0.29625%0.247SC..EExtended strand (participates in β ladder)trans-144.2136.2179.4-178.7173.9-177.61730110.4W282 H283 S300 T303W282-K296 CarbonylContact C-O 3.41Å; W282-K296 WeakPolarHBondContact CA-O 3.33Å; H283-K296 PolarHBondContact N-O 2.68Å; H283-K296 PolarHBondContact O-N 3.25Å; K296-S300 WeakPolarHBondContact CE-O 3.13Å; K296-T303 HydrophobicContact CB-CG2 4.08Å
297Q94.2Very high89.9Confident69 Ų6946.8 Ų46.832%0.32226%0.26SS..EExtended strand (participates in β ladder)trans-83.8128.1161.5-174.4-180-3.300109.1T281 W282 G299 S300T281-Q297 CarbonylContact O-C 3.6Å; T281-Q297 WeakPolarHBondContact O-CA 3.35Å; W282-Q297 HydrophobicContact CD2-CB 4.03Å; W282-Q297 HydrophobicContact CD2-CG 4.42Å; W282-Q297 HydrophobicContact CE3-CB 4.02Å; W282-Q297 HydrophobicContact CH2-CB 4Å; W282-Q297 HydrophobicContact CZ2-CB 4Å; W282-Q297 HydrophobicContact CZ2-CG 4.27Å; W282-Q297 HydrophobicContact CZ3-CB 4Å; Q297-G299 PolarHBondContact O-N 2.75Å; Q297-S300 VanDerWaalsContact O-CB 3.28Å; Q297-S300 WeakPolarHBondContact O-CB 3.44Å; Q297-S300 PolarHBondContact O-N 3.26Å
298V92.6Very high88.4Confident74 Ų7450.6 Ų50.645%0.44828%0.277SS..THydrogen-bonded Turntrans-61.5132.3177.1179.70000108.8T281 S300T281-V298 HydrophobicContact CG2-CB 4.49Å; T281-V298 HydrophobicContact CG2-CG2 3.75Å; T281-V298 PolarHBondContact O-N 2.91Å; V298-S300 VanDerWaalsContact C-N 3.3Å; V298-S300 PolarHBondContact O-N 2.98Å
299G90.1Very high86.2Confident78 Ų7851.3 Ų51.380%0.80428%0.276SS*.THydrogen-bonded Turntrans87-15-173.500000115Q297Q297-G299 PolarHBondContact O-N 2.75Å
300S88.4Confident83.8Confident32 Ų3253 Ų5322%0.22429%0.285CS..  trans-78.8139.3175.3-178.60000111.9K296 Q297 V298 V302K296-S300 WeakPolarHBondContact CE-O 3.13Å; Q297-S300 VanDerWaalsContact O-CB 3.28Å; Q297-S300 WeakPolarHBondContact O-CB 3.44Å; Q297-S300 PolarHBondContact O-N 3.26Å; V298-S300 VanDerWaalsContact C-N 3.3Å; V298-S300 PolarHBondContact O-N 2.98Å; S300-V302 PolarHBondContact O-N 3.16Å; S300-V302 PolarHBondContact OG-N 3.19Å
301P87.8Confident81.1Confident69 Ų6957.9 Ų57.945%0.44832%0.319SS..SBendtrans-76.32.8174.232.7-35000112.9E100E100-P301 HydrophobicContact CG-CB 4.1Å; E100-P301 WeakPolarHBondContact CG-O 3.5Å; E100-P301 PolarHBondContact N-O 2.65Å
302V90.3Very high78.5Confident15 Ų1562.3 Ų62.39%0.09134%0.34CS..EExtended strand (participates in β ladder)trans-115142.5-175.2179.70000110.4V97 M98 L105 I133 S300V97-V302 HydrophobicContact CB-CG1 4.49Å; V97-V302 HydrophobicContact CG1-CG1 3.14Å; M98-V302 CarbonylContact O-C 3.57Å; M98-V302 WeakPolarHBondContact O-CA 3.39Å; L105-V302 HydrophobicContact CD1-CG2 3.85Å; I133-V302 HydrophobicContact CD1-CG2 3.92Å; I133-V302 HydrophobicContact CG1-CG2 4.22Å; S300-V302 PolarHBondContact O-N 3.16Å; S300-V302 PolarHBondContact OG-N 3.19Å
303T92.3Very high75.8Confident22 Ų2272.5 Ų72.514%0.13538%0.379CS..EExtended strand (participates in β ladder)trans-135.2130.6173.1-55.70000110.3M98 K296 K305M98-T303 PolarHBondContact N-O 3.24Å; M98-T303 PolarHBondContact O-N 3.15Å; K296-T303 HydrophobicContact CB-CG2 4.08Å; T303-K305 HydrophobicContact CG2-CD 4.23Å; T303-K305 VanDerWaalsContact CG2-CE 3.45Å; T303-K305 HydrophobicContact CG2-CG 3.69Å
304M93.9Very high73.1Confident22 Ų2281 Ų8111%0.10842%0.419CS..EExtended strand (participates in β ladder)trans-83.9122.5170.4-61.5155.9-176.300107.9L95 M96 V97 F108 S294 R295L95-M304 HydrophobicContact CB-CB 4.31Å; L95-M304 HydrophobicContact CD2-CB 4.18Å; M96-M304 CarbonylContact O-C 3.55Å; M96-M304 WeakPolarHBondContact O-CA 3.39Å; V97-M304 HydrophobicContact CG2-CG 4.13Å; F108-M304 HydrophobicContact CB-CB 4.49Å; F108-M304 HydrophobicContact CB-CE 4.33Å; F108-M304 HydrophobicContact CB-CG 3.94Å; F108-M304 HydrophobicContact CB-SD 3.94Å; F108-M304 HydrophobicContact CD1-SD 4.02Å; F108-M304 HydrophobicContact CD2-CE 4.11Å; F108-M304 HydrophobicContact CD2-SD 3.97Å; F108-M304 HydrophobicContact CE2-SD 4.48Å; F108-M304 HydrophobicContact CG-CE 4.28Å; F108-M304 HydrophobicContact CG-CG 4.31Å; F108-M304 HydrophobicContact CG-SD 3.7Å; S294-M304 CarbonylContact C-O 3.58Å; S294-M304 WeakPolarHBondContact CA-O 3.31Å; S294-M304 PolarHBondContact OG-O 3.23Å; R295-M304 HydrophobicContact CB-CB 4.27Å; R295-M304 HydrophobicContact CB-SD 4.22Å; R295-M304 HydrophobicContact CG-SD 4.07Å; R295-M304 PolarHBondContact N-O 3.48Å; R295-M304 PolarHBondContact O-N 3.08Å
305K91.3Very high70.3Confident79 Ų7987.8 Ų87.834%0.34346%0.455SS..EExtended strand (participates in β ladder)trans-132.1143.8175.7-59.1-164-170.3165.80111.3M96 M98 T303 I307M96-K305 PolarHBondContact N-O 2.87Å; M96-K305 PolarHBondContact O-N 3.43Å; M98-K305 HydrophobicContact CE-CB 3.91Å; M98-K305 HydrophobicContact CE-CD 3.51Å; M98-K305 HydrophobicContact CE-CG 3.75Å; T303-K305 HydrophobicContact CG2-CD 4.23Å; T303-K305 VanDerWaalsContact CG2-CE 3.45Å; T303-K305 HydrophobicContact CG2-CG 3.69Å; K305-I307 PolarHBondContact O-N 3.41Å
306F83.7Confident67.6Low47 Ų4795.1 Ų95.121%0.20649%0.489CS..  trans-64.6116.9165.1-174.6-88.1000108.3L95 V258 R259 A293L95-F306 HydrophobicContact CG-CB 4.38Å; V258-F306 HydrophobicContact CG1-CD1 3.76Å; V258-F306 HydrophobicContact CG1-CE1 4.17Å; R259-F306 HydrophobicContact CG-CE1 3.65Å; R259-F306 HydrophobicContact CG-CZ 4.37Å; A293-F306 PolarHBondContact O-N 3.12Å
307I67Low64.9Low59 Ų5998.8 Ų98.830%0.30351%0.512SS..  trans-109.3129.8170.2-52.5-176000105.8M96 M98 K305 E309M96-I307 HydrophobicContact CB-CD1 3.59Å; M96-I307 HydrophobicContact CB-CG1 4Å; M96-I307 HydrophobicContact CG-CB 4.15Å; M96-I307 HydrophobicContact CG-CD1 3.72Å; M96-I307 HydrophobicContact CG-CG1 3.98Å; M98-I307 HydrophobicContact CG-CD1 4.15Å; M98-I307 HydrophobicContact SD-CD1 3.48Å; M98-I307 WeakPolarHBondContact SD-CD1 3.38Å; M98-I307 HydrophobicContact SD-CG1 4.32Å; K305-I307 PolarHBondContact O-N 3.41Å; I307-E309 PolarHBondContact O-N 2.89Å
308Q59.8Low62.4Low101 Ų101105.1 Ų105.147%0.47254%0.541SS..  trans-51.3134170-172.1173.25.700109.6R259 L310R259-Q308 HydrophobicContact CB-CG 4.42Å; R259-Q308 HydrophobicContact CG-CB 4.49Å; R259-Q308 HydrophobicContact CG-CG 4.38Å; R259-Q308 PolarHBondContact O-OE1 3.33Å; Q308-L310 PolarHBondContact O-N 3.47Å
309E43.4Very low59.7Low144 Ų144110.4 Ų110.467%0.67356%0.561SS**  trans-41.1111.1172.7-146.5166.7-151.100109.3I307 S311I307-E309 PolarHBondContact O-N 2.89Å; E309-S311 PolarHBondContact O-N 3.18Å
310L35.8Very low57.6Low119 Ų119116.5 Ų116.562%0.62357%0.566SS**  trans-64.683.2169.7-78166.8000106.3Q308 K312Q308-L310 PolarHBondContact O-N 3.47Å; L310-K312 PolarHBondContact O-N 3.45Å
311S32.4Very low55.1Low102 Ų102123.6 Ų123.671%0.71360%0.595SS**THydrogen-bonded Turntrans-66.937.9175.148.50000112.4E309E309-S311 PolarHBondContact O-N 3.18Å
312K37.3Very low53.1Low181 Ų181124.7 Ų124.779%0.78762%0.619SS**THydrogen-bonded Turntrans-120.41176.9-65.9-171.8179.8178.60113.8L310L310-K312 PolarHBondContact O-N 3.45Å
313Y35.9Very low50.3Low223 Ų223127 Ų12788%0.87565%0.645SS**SBendtrans-105.717168.3-84.3-78.5000114.5
314Q37.1Very low47.9Very low178 Ų178136.5 Ų136.583%0.83268%0.679SS**  trans-113.880.9166.7-71.8-171.2-19.900110H316Q314-H316 PolarHBondContact O-N 2.79Å
315N35.3Very low45Very low150 Ų150143.1 Ų143.180%0.80271%0.711SS**  trans-70.4113.1158.6-85.7-31.9000108.7
316H36.8Very low42.9Very low165 Ų165149 Ų14976%0.76474%0.737SS**SBendtrans48.694.6155-66.8-45.3000119Q314Q314-H316 PolarHBondContact O-N 2.79Å
317N38.5Very low41.7Very low145 Ų145153.1 Ų153.178%0.77576%0.76SS**  trans132.485.4132.9-72.3-30.5000110.3
318Q40.1Very low41Very low202 Ų202155.3 Ų155.394%0.94478%0.778SS**  trans-153.6111138.1-109153.777.500110.3
319Q37.5Very low40.7Very low186 Ų186156.3 Ų156.387%0.86979%0.786SS**  trans-68.8133.7178.7-140.7156.1-15.900108.9Q321Q319-Q321 PolarHBondContact O-N 3.36Å
320K46.3Very low42Very low205 Ų205152.8 Ų152.889%0.89177%0.774SS**  trans0.2104.3156.5-71.2176.8173.6179.30115
321Q34.7Very low43.9Very low182 Ų182150.7 Ų150.785%0.8576%0.758SS**  trans-137.6123.1142.4-70.5-158.418.300108.7Q319 G323Q319-Q321 PolarHBondContact O-N 3.36Å; Q321-G323 PolarHBondContact O-N 2.93Å
322G45.3Very low45.7Very low91 Ų91151.4 Ų151.494%0.93875%0.75SS**  trans-62.3117.4162.600000108
323G33.3Very low46.6Very low63 Ų63148.8 Ų148.865%0.64974%0.74SS**  trans178.2112.7-17800000108.6Q321 M325Q321-G323 PolarHBondContact O-N 2.93Å; G323-M325 PolarHBondContact O-N 3.43Å
324R39.9Very low48.6Very low223 Ų223141.4 Ų141.484%0.84272%0.716SS**  trans6109.2162-154.9173.6-175.5174.7-0.6113.3K326R324-K326 PolarHBondContact O-N 2.93Å
325M34.8Very low50.2Low160 Ų160140.4 Ų140.479%0.78871%0.714SS**  trans-47111.4171.7-79.8175.2129.600108.1G323 I327G323-M325 PolarHBondContact O-N 3.43Å; M325-I327 PolarHBondContact O-N 3.49Å
326K46.7Very low51.9Low204 Ų204140.4 Ų140.489%0.88771%0.709SS**  trans-77.1107.4175.5-72.2-175.1179.7-178.90106.6R324R324-K326 PolarHBondContact O-N 2.93Å
327I58.8Low53.8Low132 Ų132135.2 Ų135.268%0.67769%0.686SS**  trans-59.3133.6172.6-57.7161.6000107.8M325 L329M325-I327 PolarHBondContact O-N 3.49Å; I327-L329 PolarHBondContact O-N 2.89Å
328P51.8Low55.5Low106 Ų106133.3 Ų133.369%0.68867%0.669SS**  trans-62119.3168.4-18.331.1000109.6V330P328-V330 PolarHBondContact O-N 2.9Å
329L53.8Low57.4Low122 Ų122126.7 Ų126.764%0.63965%0.645SS**  trans-72.195.9178.3-166.694.9000109.5I327 W331 L337I327-L329 PolarHBondContact O-N 2.89Å; L329-W331 HydrophobicContact CD2-CB 3.97Å; L329-W331 HydrophobicContact CG-CB 4.38Å; L329-W331 PolarHBondContact O-N 2.8Å; L329-L337 HydrophobicContact CD1-CD1 3.81Å; L329-L337 HydrophobicContact CD2-CD1 4.37Å; L329-L337 HydrophobicContact CG-CD1 4.05Å
330V70.1Confident59.6Low69 Ų69123.2 Ų123.242%0.41863%0.632SS.*  trans-83.468.1173.8-169.60000109.2P328 Q332 E333P328-V330 PolarHBondContact O-N 2.9Å; V330-Q332 PolarHBondContact O-N 3.4Å; V330-Q332 VanDerWaalsContact O-N 3.1Å; V330-E333 HydrophobicContact CG1-CG 4.17Å; V330-E333 PolarHBondContact O-N 2.86Å
331W76.7Confident61.6Low75 Ų75118 Ų11828%0.28461%0.607SS.*THydrogen-bonded Turntrans-64-13.3-174.858.9-92.1000114.4L329 E333 L337 Y338 Y341L329-W331 HydrophobicContact CD2-CB 3.97Å; L329-W331 HydrophobicContact CG-CB 4.38Å; L329-W331 PolarHBondContact O-N 2.8Å; W331-E333 VanDerWaalsContact C-N 3.32Å; W331-L337 HydrophobicContact CB-CB 4.05Å; W331-L337 HydrophobicContact CB-CD1 4.44Å; W331-Y338 HydrophobicContact CE3-CD2 4.33Å; W331-Y338 HydrophobicContact CZ3-CD2 4.16Å; W331-Y338 HydrophobicContact CZ3-CE2 4.38Å; W331-Y338 PolarHBondContact O-N 2.74Å; W331-Y341 AromaticContact CE3-CD1 3.98Å; W331-Y341 HydrophobicContact CE3-CD1 3.98Å; W331-Y341 HydrophobicContact CE3-CD2 4.01Å; W331-Y341 AromaticContact CE3-CG 3.68Å; W331-Y341 HydrophobicContact CE3-CG 3.68Å; W331-Y341 HydrophobicContact CH2-CD1 4.05Å; W331-Y341 AromaticContact CH2-CD2 3.94Å; W331-Y341 HydrophobicContact CH2-CD2 3.94Å; W331-Y341 AromaticContact CH2-CE1 3.76Å; W331-Y341 HydrophobicContact CH2-CE1 3.76Å; W331-Y341 AromaticContact CH2-CE2 3.65Å; W331-Y341 HydrophobicContact CH2-CE2 3.65Å; W331-Y341 HydrophobicContact CH2-CG 4.12Å; W331-Y341 AromaticContact CH2-CZ 3.54Å; W331-Y341 HydrophobicContact CZ2-CD2 4.49Å; W331-Y341 HydrophobicContact CZ2-CE2 4.26Å; W331-Y341 AromaticContact CZ3-CD1 3.32Å; W331-Y341 HydrophobicContact CZ3-CD1 3.32Å; W331-Y341 AromaticContact CZ3-CD2 3.69Å; W331-Y341 HydrophobicContact CZ3-CD2 3.69Å; W331-Y341 AromaticContact CZ3-CE1 3.47Å; W331-Y341 HydrophobicContact CZ3-CE1 3.47Å; W331-Y341 VanDerWaalsContact CZ3-CE1 3.47Å; W331-Y341 AromaticContact CZ3-CE2 3.84Å; W331-Y341 HydrophobicContact CZ3-CE2 3.84Å; W331-Y341 AromaticContact CZ3-CG 3.42Å; W331-Y341 HydrophobicContact CZ3-CG 3.42Å; W331-Y341 VanDerWaalsContact CZ3-CG 3.42Å; W331-Y341 AromaticContact CZ3-CZ 3.73Å
332Q69.3Low64Low118 Ų118111.9 Ų111.955%0.55158%0.58SS**THydrogen-bonded Turntrans-74.1-22.2-177.4-68.1142.6-35.900113.1V330V330-Q332 PolarHBondContact O-N 3.4Å; V330-Q332 VanDerWaalsContact O-N 3.1Å
333E56.3Low66.2Low125 Ų125112.5 Ų112.558%0.58456%0.562SS**THydrogen-bonded Turntrans-110.4-16.9-174-60.1178.9164.100112.7R128 V330 W331R128-E333 IonicContact CZ-OE2 3.61Å; R128-E333 VanDerWaalsContact CZ-OE2 3.27Å; R128-E333 IonicContact NH1-OE2 3.66Å; R128-E333 PolarHBondContact NH1-OE2 3.3Å; R128-E333 IonicContact NH2-OE1 2.78Å; R128-E333 IonicContact NH2-OE2 3Å; R128-E333 PolarHBondContact NH2-OE2 3.5Å; V330-E333 HydrophobicContact CG1-CG 4.17Å; V330-E333 PolarHBondContact O-N 2.86Å; W331-E333 VanDerWaalsContact C-N 3.32Å
334D78.4Confident68.9Low68 Ų68114.9 Ų114.936%0.36455%0.554SS.*  trans-82.9116.8174.5178.1-50000109.3Q336 L337 Y338D334-Q336 VanDerWaalsContact C-N 3.29Å; D334-Q336 PolarHBondContact O-N 3Å; D334-Q336 WeakPolarHBondContact OD1-CA 3.25Å; D334-Q336 WeakPolarHBondContact OD1-CB 3.37Å; D334-Q336 PolarHBondContact OD1-N 3.12Å; D334-L337 HydrophobicContact CB-CB 3.97Å; D334-L337 HydrophobicContact CB-CD1 3.95Å; D334-L337 HydrophobicContact CB-CG 4.16Å; D334-L337 PolarHBondContact O-N 2.88Å; D334-L337 PolarHBondContact OD1-N 2.65Å; D334-Y338 WeakPolarHBondContact O-CB 3.17Å; D334-Y338 PolarHBondContact O-N 3.1Å
335M70.6Confident71.4Confident158 Ų158107 Ų10778%0.77853%0.526SS*.Hα-helixtrans-60.4-35.7-175-171.4-178.468.500113.2S339M335-S339 VanDerWaalsContact O-CB 3.28Å; M335-S339 WeakPolarHBondContact O-CB 3.38Å; M335-S339 PolarHBondContact O-N 3Å
336Q71.1Confident74.1Confident150 Ų150103.4 Ų103.470%0.70151%0.51SS*.Hα-helixtrans-74.8-45-179.8-65.5-175.5-6.300110.9D334 S339 L340D334-Q336 VanDerWaalsContact C-N 3.29Å; D334-Q336 PolarHBondContact O-N 3Å; D334-Q336 WeakPolarHBondContact OD1-CA 3.25Å; D334-Q336 WeakPolarHBondContact OD1-CB 3.37Å; D334-Q336 PolarHBondContact OD1-N 3.12Å; Q336-S339 PolarHBondContact O-N 2.81Å; Q336-L340 WeakPolarHBondContact O-CB 3.44Å; Q336-L340 PolarHBondContact O-N 2.77Å
337L75.6Confident76.3Confident56 Ų5699.1 Ų99.129%0.29349%0.492SS..Hα-helixtrans-68.6-35.5177-67176000112.1L329 W331 D334 L340 Y341L329-L337 HydrophobicContact CD1-CD1 3.81Å; L329-L337 HydrophobicContact CD2-CD1 4.37Å; L329-L337 HydrophobicContact CG-CD1 4.05Å; W331-L337 HydrophobicContact CB-CB 4.05Å; W331-L337 HydrophobicContact CB-CD1 4.44Å; D334-L337 HydrophobicContact CB-CB 3.97Å; D334-L337 HydrophobicContact CB-CD1 3.95Å; D334-L337 HydrophobicContact CB-CG 4.16Å; D334-L337 PolarHBondContact O-N 2.88Å; D334-L337 PolarHBondContact OD1-N 2.65Å; L337-L340 PolarHBondContact O-N 2.78Å; L337-Y341 VanDerWaalsContact O-CB 3.28Å; L337-Y341 WeakPolarHBondContact O-CB 3.38Å; L337-Y341 PolarHBondContact O-N 2.81Å
338Y74.8Confident77.8Confident105 Ų10597 Ų9741%0.41248%0.481SS..Hα-helixtrans-66.3-43.1175.1-172.3-112000110.9W331 D334 Y341 L342W331-Y338 HydrophobicContact CE3-CD2 4.33Å; W331-Y338 HydrophobicContact CZ3-CD2 4.16Å; W331-Y338 HydrophobicContact CZ3-CE2 4.38Å; W331-Y338 PolarHBondContact O-N 2.74Å; D334-Y338 WeakPolarHBondContact O-CB 3.17Å; D334-Y338 PolarHBondContact O-N 3.1Å; Y338-Y341 HydrophobicContact CD2-CD1 4.36Å; Y338-Y341 HydrophobicContact CE2-CD1 4.36Å; Y338-Y341 WeakPolarHBondContact O-CB 3.2Å; Y338-Y341 PolarHBondContact O-N 2.89Å; Y338-L342 HydrophobicContact CD1-CD1 3.96Å; Y338-L342 HydrophobicContact CD1-CG 4.39Å; Y338-L342 HydrophobicContact CE1-CD1 3.63Å; Y338-L342 HydrophobicContact CE1-CD2 4.49Å; Y338-L342 HydrophobicContact CE1-CG 4.14Å; Y338-L342 WeakPolarHBondContact O-CG 3.41Å; Y338-L342 PolarHBondContact O-N 2.75Å
339S80.5Confident79.7Confident62 Ų6297.6 Ų97.643%0.43447%0.473SS..Hα-helixtrans-59.2-49172.7-173.10000111.7M335 Q336 Y341 L342 D343M335-S339 VanDerWaalsContact O-CB 3.28Å; M335-S339 WeakPolarHBondContact O-CB 3.38Å; M335-S339 PolarHBondContact O-N 3Å; Q336-S339 PolarHBondContact O-N 2.81Å; S339-Y341 VanDerWaalsContact C-N 3.3Å; S339-Y341 PolarHBondContact O-N 2.84Å; S339-L342 PolarHBondContact O-N 2.71Å; S339-L342 VanDerWaalsContact O-N 3.12Å; S339-D343 PolarHBondContact O-N 2.78Å
340L83.3Confident81.5Confident114 Ų11494.6 Ų94.660%0.59747%0.466SS*.Hα-helixtrans-61-38.4176.7-175.767.2000112.5Q336 L337 K344Q336-L340 WeakPolarHBondContact O-CB 3.44Å; Q336-L340 PolarHBondContact O-N 2.77Å; L337-L340 PolarHBondContact O-N 2.78Å; L340-K344 WeakPolarHBondContact O-CB 3.32Å; L340-K344 PolarHBondContact O-N 3.4Å
341Y87.4Confident82.5Confident96 Ų9696.5 Ų96.538%0.37647%0.47SS..Hα-helixtrans-63.5-45.6174.1164.1-96.5000111.4W331 L337 Y338 S339 D343 K344 K345W331-Y341 AromaticContact CE3-CD1 3.98Å; W331-Y341 HydrophobicContact CE3-CD1 3.98Å; W331-Y341 HydrophobicContact CE3-CD2 4.01Å; W331-Y341 AromaticContact CE3-CG 3.68Å; W331-Y341 HydrophobicContact CE3-CG 3.68Å; W331-Y341 HydrophobicContact CH2-CD1 4.05Å; W331-Y341 AromaticContact CH2-CD2 3.94Å; W331-Y341 HydrophobicContact CH2-CD2 3.94Å; W331-Y341 AromaticContact CH2-CE1 3.76Å; W331-Y341 HydrophobicContact CH2-CE1 3.76Å; W331-Y341 AromaticContact CH2-CE2 3.65Å; W331-Y341 HydrophobicContact CH2-CE2 3.65Å; W331-Y341 HydrophobicContact CH2-CG 4.12Å; W331-Y341 AromaticContact CH2-CZ 3.54Å; W331-Y341 HydrophobicContact CZ2-CD2 4.49Å; W331-Y341 HydrophobicContact CZ2-CE2 4.26Å; W331-Y341 AromaticContact CZ3-CD1 3.32Å; W331-Y341 HydrophobicContact CZ3-CD1 3.32Å; W331-Y341 AromaticContact CZ3-CD2 3.69Å; W331-Y341 HydrophobicContact CZ3-CD2 3.69Å; W331-Y341 AromaticContact CZ3-CE1 3.47Å; W331-Y341 HydrophobicContact CZ3-CE1 3.47Å; W331-Y341 VanDerWaalsContact CZ3-CE1 3.47Å; W331-Y341 AromaticContact CZ3-CE2 3.84Å; W331-Y341 HydrophobicContact CZ3-CE2 3.84Å; W331-Y341 AromaticContact CZ3-CG 3.42Å; W331-Y341 HydrophobicContact CZ3-CG 3.42Å; W331-Y341 VanDerWaalsContact CZ3-CG 3.42Å; W331-Y341 AromaticContact CZ3-CZ 3.73Å; L337-Y341 VanDerWaalsContact O-CB 3.28Å; L337-Y341 WeakPolarHBondContact O-CB 3.38Å; L337-Y341 PolarHBondContact O-N 2.81Å; Y338-Y341 HydrophobicContact CD2-CD1 4.36Å; Y338-Y341 HydrophobicContact CE2-CD1 4.36Å; Y338-Y341 WeakPolarHBondContact O-CB 3.2Å; Y338-Y341 PolarHBondContact O-N 2.89Å; S339-Y341 VanDerWaalsContact C-N 3.3Å; S339-Y341 PolarHBondContact O-N 2.84Å; Y341-D343 PolarHBondContact O-N 2.77Å; Y341-K344 PolarHBondContact O-N 3.38Å; Y341-K345 HydrophobicContact CE1-CB 4.49Å; Y341-K345 HydrophobicContact CE1-CD 4.15Å; Y341-K345 HydrophobicContact CE2-CB 4.44Å; Y341-K345 WeakPolarHBondContact O-CB 3.35Å; Y341-K345 PolarHBondContact O-N 2.91Å
342L86.9Confident83.2Confident52 Ų5298 Ų9827%0.27248%0.48SS..Hα-helixtrans-59.6-47.6178.4-72.9177.1000110.9Y338 S339 K344 K345 D346Y338-L342 HydrophobicContact CD1-CD1 3.96Å; Y338-L342 HydrophobicContact CD1-CG 4.39Å; Y338-L342 HydrophobicContact CE1-CD1 3.63Å; Y338-L342 HydrophobicContact CE1-CD2 4.49Å; Y338-L342 HydrophobicContact CE1-CG 4.14Å; Y338-L342 WeakPolarHBondContact O-CG 3.41Å; Y338-L342 PolarHBondContact O-N 2.75Å; S339-L342 PolarHBondContact O-N 2.71Å; S339-L342 VanDerWaalsContact O-N 3.12Å; L342-K344 PolarHBondContact O-N 3.02Å; L342-K345 PolarHBondContact O-N 3.39Å; L342-D346 WeakPolarHBondContact O-CB 3.41Å; L342-D346 PolarHBondContact O-N 3.4Å
343D89.6Confident84.1Confident105 Ų10596.8 Ų96.856%0.56148%0.477SS*.Hα-helixtrans-58.1-47.1176.1-74.9-14.2000111.5S339 Y341 D346 F347S339-D343 PolarHBondContact O-N 2.78Å; Y341-D343 PolarHBondContact O-N 2.77Å; D343-D346 PolarHBondContact O-N 3.47Å; D343-F347 WeakPolarHBondContact O-CB 3.33Å; D343-F347 PolarHBondContact O-N 3.02Å
344K90.5Very high85.7Confident112 Ų11292.3 Ų92.349%0.48746%0.46SS..Hα-helixtrans-68.1-38.7-179.3-171.661178.8175.90112.3L340 Y341 L342 F347 L348L340-K344 WeakPolarHBondContact O-CB 3.32Å; L340-K344 PolarHBondContact O-N 3.4Å; Y341-K344 PolarHBondContact O-N 3.38Å; L342-K344 PolarHBondContact O-N 3.02Å; K344-F347 PolarHBondContact O-N 2.9Å; K344-L348 HydrophobicContact CG-CD1 4.32Å; K344-L348 WeakPolarHBondContact O-CB 3.32Å; K344-L348 WeakPolarHBondContact O-CG 3.36Å; K344-L348 PolarHBondContact O-N 2.76Å
345K92.4Very high86.3Confident57 Ų5794.6 Ų94.625%0.24846%0.464CS..Hα-helixtrans-64.6-43.1176.3176.8-144.165.8169.80110.3Y341 L342 L348 K349Y341-K345 HydrophobicContact CE1-CB 4.49Å; Y341-K345 HydrophobicContact CE1-CD 4.15Å; Y341-K345 HydrophobicContact CE2-CB 4.44Å; Y341-K345 WeakPolarHBondContact O-CB 3.35Å; Y341-K345 PolarHBondContact O-N 2.91Å; L342-K345 PolarHBondContact O-N 3.39Å; K345-L348 PolarHBondContact O-N 3.16Å; K345-K349 WeakPolarHBondContact O-CB 3.44Å; K345-K349 WeakPolarHBondContact O-CG 3.29Å; K345-K349 PolarHBondContact O-N 3.27Å
346D92Very high87Confident85 Ų8590.3 Ų90.346%0.45544%0.444SS..Hα-helixtrans-69.5-38.7177.7-71.4-14000111.6L342 D343 K349 A350L342-D346 WeakPolarHBondContact O-CB 3.41Å; L342-D346 PolarHBondContact O-N 3.4Å; D343-D346 PolarHBondContact O-N 3.47Å; D346-K349 PolarHBondContact O-N 3.16Å; D346-A350 WeakPolarHBondContact O-CB 3.48Å; D346-A350 PolarHBondContact O-N 2.78Å
347F92.1Very high87.8Confident115 Ų11592.1 Ų92.150%0.50444%0.444SS..Hα-helixtrans-57-50.7170.1176.3-88.9000112.1D343 K344 K349 A350 E351D343-F347 WeakPolarHBondContact O-CB 3.33Å; D343-F347 PolarHBondContact O-N 3.02Å; K344-F347 PolarHBondContact O-N 2.9Å; F347-K349 VanDerWaalsContact C-N 3.34Å; F347-K349 PolarHBondContact O-N 3.29Å; F347-A350 WeakPolarHBondContact O-CB 3.39Å; F347-A350 PolarHBondContact O-N 3.15Å; F347-E351 PolarHBondContact O-N 2.91Å
348L91.6Very high88.5Confident87 Ų8795.7 Ų95.746%0.45546%0.46SS..Hα-helixtrans-65.4-36.3179.9-75171000112.3K344 K345 E351 H352K344-L348 HydrophobicContact CG-CD1 4.32Å; K344-L348 WeakPolarHBondContact O-CB 3.32Å; K344-L348 WeakPolarHBondContact O-CG 3.36Å; K344-L348 PolarHBondContact O-N 2.76Å; K345-L348 PolarHBondContact O-N 3.16Å; L348-E351 PolarHBondContact O-N 3.24Å; L348-H352 VanDerWaalsContact O-CB 3.28Å; L348-H352 WeakPolarHBondContact O-CB 3.37Å; L348-H352 PolarHBondContact O-N 3.15Å
349K91.4Very high89.1Confident119 Ų11992.5 Ų92.552%0.51745%0.449SS..Hα-helixtrans-63.2-43.3172.3-78.5-179.3177.9-170.10111.4K345 D346 F347 H352 N353K345-K349 WeakPolarHBondContact O-CB 3.44Å; K345-K349 WeakPolarHBondContact O-CG 3.29Å; K345-K349 PolarHBondContact O-N 3.27Å; D346-K349 PolarHBondContact O-N 3.16Å; F347-K349 VanDerWaalsContact C-N 3.34Å; F347-K349 PolarHBondContact O-N 3.29Å; K349-H352 PolarHBondContact O-N 3.04Å; K349-N353 WeakPolarHBondContact O-CB 3.36Å; K349-N353 VanDerWaalsContact O-CG 3.29Å; K349-N353 PolarHBondContact O-N 2.95Å; K349-N353 PolarHBondContact O-ND2 3.01Å
350A90.4Very high89.5Confident59 Ų5993.6 Ų93.649%0.48845%0.454SS..Hα-helixtrans-64-43.4177.200000111.5D346 F347 N353 S354D346-A350 WeakPolarHBondContact O-CB 3.48Å; D346-A350 PolarHBondContact O-N 2.78Å; F347-A350 WeakPolarHBondContact O-CB 3.39Å; F347-A350 PolarHBondContact O-N 3.15Å; A350-N353 PolarHBondContact O-N 3.36Å; A350-S354 PolarHBondContact O-N 3.34Å
351E91.4Very high89.8Confident108 Ų10892.2 Ų92.251%0.50545%0.445SS..Hα-helixtrans-61.1-49175.1-173.1178.1-164.900111.3F347 L348 N353 S354 Y355F347-E351 PolarHBondContact O-N 2.91Å; L348-E351 PolarHBondContact O-N 3.24Å; E351-N353 VanDerWaalsContact C-N 3.35Å; E351-N353 PolarHBondContact O-N 2.9Å; E351-S354 PolarHBondContact O-N 3.38Å; E351-S354 VanDerWaalsContact O-N 3.12Å; E351-Y355 PolarHBondContact O-N 3.18Å
352H90.9Very high89.8Confident107 Ų10790.1 Ų90.150%0.49544%0.44SS..Hα-helixtrans-58.5-44.4176.1179.271.3000112.3L348 K349 S354 Y355 L356L348-H352 VanDerWaalsContact O-CB 3.28Å; L348-H352 WeakPolarHBondContact O-CB 3.37Å; L348-H352 PolarHBondContact O-N 3.15Å; K349-H352 PolarHBondContact O-N 3.04Å; H352-S354 VanDerWaalsContact C-N 3.33Å; H352-S354 PolarHBondContact O-N 2.87Å; H352-Y355 PolarHBondContact O-N 3.22Å; H352-L356 WeakPolarHBondContact NE2-CD1 3.34Å; H352-L356 WeakPolarHBondContact O-CG 3.48Å; H352-L356 PolarHBondContact O-N 2.96Å
353N88.8Confident89.8Confident92 Ų9297.3 Ų97.349%0.49246%0.463SS..Hα-helixtrans-66.9-33.3176.5-76.4-38.5000112.4K349 A350 E351 R357K349-N353 WeakPolarHBondContact O-CB 3.36Å; K349-N353 VanDerWaalsContact O-CG 3.29Å; K349-N353 PolarHBondContact O-N 2.95Å; K349-N353 PolarHBondContact O-ND2 3.01Å; A350-N353 PolarHBondContact O-N 3.36Å; E351-N353 VanDerWaalsContact C-N 3.35Å; E351-N353 PolarHBondContact O-N 2.9Å; N353-R357 VanDerWaalsContact O-CG 3.31Å; N353-R357 WeakPolarHBondContact O-CG 3.42Å; N353-R357 PolarHBondContact O-N 2.88Å; N353-R357 VanDerWaalsContact O-N 3.15Å; N353-R357 PolarHBondContact O-NE 3.31Å
354S89.4Confident89.7Confident32 Ų3294.8 Ų94.822%0.22446%0.456CS..Hα-helixtrans-67.2-46.5172.7-1460000111A350 E351 H352 L356 R357 E358A350-S354 PolarHBondContact O-N 3.34Å; E351-S354 PolarHBondContact O-N 3.38Å; E351-S354 VanDerWaalsContact O-N 3.12Å; H352-S354 VanDerWaalsContact C-N 3.33Å; H352-S354 PolarHBondContact O-N 2.87Å; S354-L356 VanDerWaalsContact C-N 3.34Å; S354-L356 PolarHBondContact O-N 3.48Å; S354-R357 WeakPolarHBondContact O-CB 3.35Å; S354-R357 PolarHBondContact O-N 2.92Å; S354-R357 PolarHBondContact OG-NH2 3.3Å; S354-E358 WeakPolarHBondContact O-CG 3.45Å; S354-E358 PolarHBondContact O-N 3.16Å; S354-E358 PolarHBondContact OG-OE1 3.36Å
355Y90.9Very high89.7Confident115 Ų11591 Ų9145%0.45144%0.442SS..Hα-helixtrans-56.1-46.3176-176.4-96.6000111.9E351 H352 R357 E358 H359 L362E351-Y355 PolarHBondContact O-N 3.18Å; H352-Y355 PolarHBondContact O-N 3.22Å; Y355-R357 VanDerWaalsContact C-N 3.32Å; Y355-R357 PolarHBondContact O-N 3.39Å; Y355-E358 PolarHBondContact O-N 3.22Å; Y355-H359 AromaticContact CD2-CD2 3.49Å; Y355-H359 VanDerWaalsContact CD2-CD2 3.49Å; Y355-H359 WeakPolarHBondContact CD2-CD2 3.31Å; Y355-H359 AromaticContact CD2-NE2 3.86Å; Y355-H359 AromaticContact CE2-CD2 3.31Å; Y355-H359 WeakPolarHBondContact CE2-CD2 3.42Å; Y355-H359 AromaticContact CE2-NE2 3.45Å; Y355-H359 WeakPolarHBondContact CE2-NE2 3.22Å; Y355-H359 AromaticContact CG-CD2 3.94Å; Y355-H359 AromaticContact CZ-CD2 3.61Å; Y355-H359 WeakPolarHBondContact O-CB 3.44Å; Y355-H359 PolarHBondContact O-CD2 2.9Å; Y355-H359 VanDerWaalsContact O-CD2 3.23Å; Y355-H359 PolarHBondContact O-N 3.24Å; Y355-L362 HydrophobicContact CD1-CD1 4.18Å; Y355-L362 HydrophobicContact CE1-CD1 3.42Å; Y355-L362 VanDerWaalsContact CE1-CD1 3.42Å
356L86.9Confident89.6Confident68 Ų6892.8 Ų92.836%0.35645%0.453SS..Hα-helixtrans-66.1-29.6176.7-71.2-178.4000114H352 S354 H359 L362H352-L356 WeakPolarHBondContact NE2-CD1 3.34Å; H352-L356 WeakPolarHBondContact O-CG 3.48Å; H352-L356 PolarHBondContact O-N 2.96Å; S354-L356 VanDerWaalsContact C-N 3.34Å; S354-L356 PolarHBondContact O-N 3.48Å; L356-H359 CarbonylContact O-C 3.51Å; L356-L362 HydrophobicContact CD2-CD1 4.34Å
357R87.8Confident89.5Confident188 Ų18891.3 Ų91.371%0.70945%0.45SS*.Hα-helixtrans-73.7-36173.8-75.3-177.4-60.7162.96.3111.9N353 S354 Y355 H359N353-R357 VanDerWaalsContact O-CG 3.31Å; N353-R357 WeakPolarHBondContact O-CG 3.42Å; N353-R357 PolarHBondContact O-N 2.88Å; N353-R357 VanDerWaalsContact O-N 3.15Å; N353-R357 PolarHBondContact O-NE 3.31Å; S354-R357 WeakPolarHBondContact O-CB 3.35Å; S354-R357 PolarHBondContact O-N 2.92Å; S354-R357 PolarHBondContact OG-NH2 3.3Å; Y355-R357 VanDerWaalsContact C-N 3.32Å; Y355-R357 PolarHBondContact O-N 3.39Å; R357-H359 VanDerWaalsContact C-N 3.31Å
358E89.8Confident89.5Confident131 Ų13189.4 Ų89.461%0.61245%0.445SS*.Hα-helixtrans-74-24.7177.1-71.3165.9-146.500112.1S354 Y355 P360S354-E358 WeakPolarHBondContact O-CG 3.45Å; S354-E358 PolarHBondContact O-N 3.16Å; S354-E358 PolarHBondContact OG-OE1 3.36Å; Y355-E358 PolarHBondContact O-N 3.22Å; E358-P360 VanDerWaalsContact C-CD 3.45Å; E358-P360 WeakPolarHBondContact O-CD 3.21Å
359H87.4Confident89.6Confident39 Ų3986.3 Ų86.318%0.18143%0.428CS..  trans-12166.4-178.2-65.1-73.7000113.3Y355 L356 R357 E361 L362Y355-H359 AromaticContact CD2-CD2 3.49Å; Y355-H359 VanDerWaalsContact CD2-CD2 3.49Å; Y355-H359 WeakPolarHBondContact CD2-CD2 3.31Å; Y355-H359 AromaticContact CD2-NE2 3.86Å; Y355-H359 AromaticContact CE2-CD2 3.31Å; Y355-H359 WeakPolarHBondContact CE2-CD2 3.42Å; Y355-H359 AromaticContact CE2-NE2 3.45Å; Y355-H359 WeakPolarHBondContact CE2-NE2 3.22Å; Y355-H359 AromaticContact CG-CD2 3.94Å; Y355-H359 AromaticContact CZ-CD2 3.61Å; Y355-H359 WeakPolarHBondContact O-CB 3.44Å; Y355-H359 PolarHBondContact O-CD2 2.9Å; Y355-H359 VanDerWaalsContact O-CD2 3.23Å; Y355-H359 PolarHBondContact O-N 3.24Å; L356-H359 CarbonylContact O-C 3.51Å; R357-H359 VanDerWaalsContact C-N 3.31Å; H359-E361 VanDerWaalsContact CA-OE2 3.29Å; H359-E361 WeakPolarHBondContact CA-OE2 3.39Å; H359-E361 WeakPolarHBondContact CB-OE1 3.39Å; H359-E361 IonicContact CE1-OE1 2.85Å; H359-E361 IonicContact CG-OE1 2.72Å; H359-E361 IonicContact ND1-OE1 3.46Å; H359-E361 PolarHBondContact ND1-OE1 3.14Å; H359-E361 PolarHBondContact O-N 3.12Å; H359-E361 VanDerWaalsContact O-N 3.16Å; H359-L362 HydrophobicContact CB-CD1 3.75Å; H359-L362 HydrophobicContact CB-CG 4.08Å; H359-L362 PolarHBondContact O-N 3.45Å; H359-L362 VanDerWaalsContact O-N 3.16Å
360P88.6Confident89.6Confident84 Ų8485.1 Ų85.155%0.54543%0.426SS..Hα-helixtrans-60.8-23.2179.227.1-35.7000113.4E358 L362 R363 A364E358-P360 VanDerWaalsContact C-CD 3.45Å; E358-P360 WeakPolarHBondContact O-CD 3.21Å; P360-L362 PolarHBondContact O-N 3.02Å; P360-R363 PolarHBondContact O-N 3.06Å; P360-A364 PolarHBondContact O-N 3.42Å
361E88.7Confident89.8Confident86 Ų8687 Ų8740%0.40242%0.424SS..Hα-helixtrans-57.9-30.9175.464.5-82.5-169.200113.1H359 A364 L365H359-E361 VanDerWaalsContact CA-OE2 3.29Å; H359-E361 WeakPolarHBondContact CA-OE2 3.39Å; H359-E361 WeakPolarHBondContact CB-OE1 3.39Å; H359-E361 IonicContact CE1-OE1 2.85Å; H359-E361 IonicContact CG-OE1 2.72Å; H359-E361 IonicContact ND1-OE1 3.46Å; H359-E361 PolarHBondContact ND1-OE1 3.14Å; H359-E361 PolarHBondContact O-N 3.12Å; H359-E361 VanDerWaalsContact O-N 3.16Å; E361-A364 PolarHBondContact O-N 3.39Å; E361-L365 VanDerWaalsContact O-CB 3.28Å; E361-L365 WeakPolarHBondContact O-CB 3.21Å; E361-L365 PolarHBondContact O-N 2.84Å
362L88.2Confident89.8Confident52 Ų5285 Ų8527%0.27242%0.417SS..Hα-helixtrans-68.5-40178.2-66.3174.1000111.5Y355 L356 H359 P360 L365 L366Y355-L362 HydrophobicContact CD1-CD1 4.18Å; Y355-L362 HydrophobicContact CE1-CD1 3.42Å; Y355-L362 VanDerWaalsContact CE1-CD1 3.42Å; L356-L362 HydrophobicContact CD2-CD1 4.34Å; H359-L362 HydrophobicContact CB-CD1 3.75Å; H359-L362 HydrophobicContact CB-CG 4.08Å; H359-L362 PolarHBondContact O-N 3.45Å; H359-L362 VanDerWaalsContact O-N 3.16Å; P360-L362 PolarHBondContact O-N 3.02Å; L362-L365 PolarHBondContact O-N 2.83Å; L362-L366 WeakPolarHBondContact O-CB 3.41Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 2.9Å
363R86.6Confident89.8Confident203 Ų20381.5 Ų81.577%0.76640%0.402SS*.Hα-helixtrans-67.3-40.1177.4-172179.3176.9106.40.3110.9P360 S367P360-R363 PolarHBondContact O-N 3.06Å; R363-S367 WeakPolarHBondContact O-CB 3.49Å; R363-S367 PolarHBondContact O-N 2.9Å
364A87.6Confident90Very high51 Ų5182.6 Ų82.642%0.42141%0.407SS..Hα-helixtrans-63.1-50174.700000111.2P360 E361 L366 S367 D368P360-A364 PolarHBondContact O-N 3.42Å; E361-A364 PolarHBondContact O-N 3.39Å; A364-L366 VanDerWaalsContact C-N 3.34Å; A364-L366 PolarHBondContact O-N 3.23Å; A364-S367 WeakPolarHBondContact O-CB 3.49Å; A364-S367 PolarHBondContact O-N 2.89Å; A364-D368 PolarHBondContact O-N 3.19Å
365L91Very high90.2Very high33 Ų3387.2 Ų87.217%0.17343%0.428CS..Hα-helixtrans-56.8-45179177.161.4000112.8E361 L362 F369 Y388 F389 Y392E361-L365 VanDerWaalsContact O-CB 3.28Å; E361-L365 WeakPolarHBondContact O-CB 3.21Å; E361-L365 PolarHBondContact O-N 2.84Å; L362-L365 PolarHBondContact O-N 2.83Å; L365-F369 WeakPolarHBondContact O-CB 3.31Å; L365-F369 PolarHBondContact O-N 3.14Å; L365-Y388 HydrophobicContact CD1-CE1 4.17Å; L365-F389 HydrophobicContact CD2-CD1 4.35Å; L365-F389 HydrophobicContact CD2-CE1 4.42Å; L365-F389 HydrophobicContact CG-CD1 4.5Å; L365-F389 HydrophobicContact CG-CE1 4.22Å; L365-Y392 HydrophobicContact CD1-CD1 3.55Å; L365-Y392 HydrophobicContact CD1-CD2 3.63Å; L365-Y392 HydrophobicContact CD1-CE1 3.49Å; L365-Y392 VanDerWaalsContact CD1-CE1 3.49Å; L365-Y392 HydrophobicContact CD1-CE2 3.58Å; L365-Y392 HydrophobicContact CD1-CG 3.59Å; L365-Y392 VanDerWaalsContact CD1-CZ 3.5Å; L365-Y392 HydrophobicContact CD2-CD1 4.42Å; L365-Y392 HydrophobicContact CD2-CG 4.13Å
366L90.4Very high90.2Very high94 Ų9485.9 Ų85.949%0.49243%0.432SS..Hα-helixtrans-67.8-36.1177-71.8171.9000112L362 A364 F369 I370L362-L366 WeakPolarHBondContact O-CB 3.41Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 2.9Å; A364-L366 VanDerWaalsContact C-N 3.34Å; A364-L366 PolarHBondContact O-N 3.23Å; L366-F369 PolarHBondContact O-N 2.89Å; L366-I370 VanDerWaalsContact O-CG1 3.31Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 3.21Å
367S90.5Very high90.4Very high55 Ų5590.2 Ų90.239%0.38545%0.448SS..Hα-helixtrans-66.1-44.8177-170.40000111.6R363 A364 F369 I370 Q371R363-S367 WeakPolarHBondContact O-CB 3.49Å; R363-S367 PolarHBondContact O-N 2.9Å; A364-S367 WeakPolarHBondContact O-CB 3.49Å; A364-S367 PolarHBondContact O-N 2.89Å; S367-F369 VanDerWaalsContact C-N 3.33Å; S367-I370 PolarHBondContact O-N 2.84Å; S367-Q371 VanDerWaalsContact O-CG 3.31Å; S367-Q371 WeakPolarHBondContact O-CG 3.3Å; S367-Q371 PolarHBondContact O-N 2.88Å; S367-Q371 PolarHBondContact OG-NE2 3.18Å
368D91.1Very high90.7Very high74 Ų7482.8 Ų82.840%0.39642%0.424SS..Hα-helixtrans-63.5-41.9177.4-66.2-14.7000110.6A364 I370 Q371 D372 Y388A364-D368 PolarHBondContact O-N 3.19Å; D368-I370 PolarHBondContact O-N 2.85Å; D368-Q371 PolarHBondContact O-N 3.02Å; D368-D372 PolarHBondContact O-N 3.35Å; D368-Y388 VanDerWaalsContact C-OH 3.28Å; D368-Y388 WeakPolarHBondContact CB-OH 3.26Å
369F93.4Very high90.6Very high23 Ų2385.2 Ų85.210%0.10144%0.441CS..Hα-helixtrans-58.7-45.7175.5176.1-111.9000112.5L365 L366 S367 D372 L373 F384 A385 Y388 F389L365-F369 WeakPolarHBondContact O-CB 3.31Å; L365-F369 PolarHBondContact O-N 3.14Å; L366-F369 PolarHBondContact O-N 2.89Å; S367-F369 VanDerWaalsContact C-N 3.33Å; F369-D372 PolarHBondContact O-N 3.48Å; F369-L373 HydrophobicContact CZ-CD1 4.44Å; F369-L373 VanDerWaalsContact O-CB 3.27Å; F369-L373 WeakPolarHBondContact O-CB 3.44Å; F369-L373 PolarHBondContact O-N 3.43Å; F369-F384 HydrophobicContact CD2-CE1 4.16Å; F369-F384 AromaticContact CE2-CD1 3.64Å; F369-F384 HydrophobicContact CE2-CD1 3.64Å; F369-F384 AromaticContact CE2-CE1 3.69Å; F369-F384 HydrophobicContact CE2-CE1 3.69Å; F369-F384 HydrophobicContact CZ-CD1 4.2Å; F369-A385 HydrophobicContact CE2-CB 4.12Å; F369-A385 HydrophobicContact CZ-CB 3.76Å; F369-Y388 WeakPolarHBondContact CA-OH 3.44Å; F369-Y388 HydrophobicContact CB-CD1 4.07Å; F369-Y388 HydrophobicContact CB-CE1 3.54Å; F369-Y388 AromaticContact CD2-CD1 3.34Å; F369-Y388 HydrophobicContact CD2-CD1 3.34Å; F369-Y388 AromaticContact CD2-CD2 3.87Å; F369-Y388 HydrophobicContact CD2-CD2 3.87Å; F369-Y388 AromaticContact CD2-CE1 3.69Å; F369-Y388 HydrophobicContact CD2-CE1 3.69Å; F369-Y388 HydrophobicContact CD2-CE2 4.17Å; F369-Y388 AromaticContact CD2-CG 3.45Å; F369-Y388 HydrophobicContact CD2-CG 3.45Å; F369-Y388 VanDerWaalsContact CD2-CG 3.45Å; F369-Y388 HydrophobicContact CE2-CD1 4.15Å; F369-Y388 HydrophobicContact CE2-CD2 4.46Å; F369-Y388 AromaticContact CE2-CG 3.95Å; F369-Y388 HydrophobicContact CE2-CG 3.95Å; F369-Y388 HydrophobicContact CG-CD1 4.07Å; F369-Y388 HydrophobicContact CG-CE1 4.06Å; F369-Y388 PolarHBondContact N-OH 3.46Å; F369-Y388 VanDerWaalsContact N-OH 3.13Å; F369-F389 HydrophobicContact CB-CE1 4.35Å; F369-F389 HydrophobicContact CB-CZ 4.02Å; F369-F389 HydrophobicContact CD1-CE2 4.2Å; F369-F389 AromaticContact CD1-CZ 3.73Å; F369-F389 HydrophobicContact CD1-CZ 3.73Å; F369-F389 HydrophobicContact CD2-CE2 4.02Å; F369-F389 AromaticContact CD2-CZ 3.84Å; F369-F389 HydrophobicContact CD2-CZ 3.84Å; F369-F389 HydrophobicContact CE1-CE2 4.15Å; F369-F389 HydrophobicContact CE1-CZ 4.14Å; F369-F389 AromaticContact CE2-CE2 3.95Å; F369-F389 HydrophobicContact CE2-CE2 3.95Å; F369-F389 HydrophobicContact CE2-CZ 4.22Å; F369-F389 HydrophobicContact CG-CE1 4.32Å; F369-F389 HydrophobicContact CG-CE2 4.13Å; F369-F389 AromaticContact CG-CZ 3.55Å; F369-F389 HydrophobicContact CG-CZ 3.55Å; F369-F389 HydrophobicContact CZ-CE2 4.03Å; F369-F389 HydrophobicContact CZ-CZ 4.37Å
370I92.6Very high90.8Very high93 Ų9387.6 Ų87.648%0.47746%0.455SS..Hα-helixtrans-66.4-39.9178.8-68.5168.4000110.7L366 S367 D368 L373 L374L366-I370 VanDerWaalsContact O-CG1 3.31Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 3.21Å; S367-I370 PolarHBondContact O-N 2.84Å; D368-I370 PolarHBondContact O-N 2.85Å; I370-L373 PolarHBondContact O-N 3.41Å; I370-L374 HydrophobicContact CG2-CD1 3.92Å; I370-L374 HydrophobicContact CG2-CG 4.35Å; I370-L374 WeakPolarHBondContact O-CB 3.37Å; I370-L374 VanDerWaalsContact O-CG 3.23Å; I370-L374 WeakPolarHBondContact O-CG 3.46Å; I370-L374 PolarHBondContact O-N 3.49Å
371Q93.2Very high90.9Very high98 Ų9887.9 Ų87.946%0.45845%0.451SS..Hα-helixtrans-60.4-49175.9-73.217454.400111.1S367 D368 L373 L374 I375S367-Q371 VanDerWaalsContact O-CG 3.31Å; S367-Q371 WeakPolarHBondContact O-CG 3.3Å; S367-Q371 PolarHBondContact O-N 2.88Å; S367-Q371 PolarHBondContact OG-NE2 3.18Å; D368-Q371 PolarHBondContact O-N 3.02Å; Q371-L373 VanDerWaalsContact C-N 3.32Å; Q371-L373 PolarHBondContact O-N 3.13Å; Q371-L374 PolarHBondContact O-N 3.03Å; Q371-L374 VanDerWaalsContact O-N 3.17Å; Q371-I375 WeakPolarHBondContact O-CD1 3.45Å; Q371-I375 VanDerWaalsContact O-CG1 3.26Å; Q371-I375 WeakPolarHBondContact O-CG1 3.44Å; Q371-I375 PolarHBondContact O-N 3.03Å
372D91.1Very high91Very high67 Ų6791.9 Ų91.936%0.35847%0.467SS..Hα-helixtrans-65.7-37179.6-76.3-9.3000111.9D368 F369 L374 I375 V376 F384 Y388D368-D372 PolarHBondContact O-N 3.35Å; F369-D372 PolarHBondContact O-N 3.48Å; D372-L374 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 3.06Å; D372-I375 PolarHBondContact O-N 3.34Å; D372-V376 WeakPolarHBondContact O-CB 3.36Å; D372-V376 WeakPolarHBondContact O-CG2 3.27Å; D372-V376 PolarHBondContact O-N 3.01Å; D372-F384 HydrophobicContact CB-CZ 4.24Å; D372-Y388 HydrophobicContact CB-CE2 4.09Å; D372-Y388 WeakPolarHBondContact OD2-CE2 3.37Å
373L92.3Very high91.1Very high34 Ų3492.7 Ų92.718%0.17847%0.47CS..Hα-helixtrans-61.4-42.3173.6-168.876.1000111.8F369 I370 Q371 I375 K377 P378 I381 F384F369-L373 HydrophobicContact CZ-CD1 4.44Å; F369-L373 VanDerWaalsContact O-CB 3.27Å; F369-L373 WeakPolarHBondContact O-CB 3.44Å; F369-L373 PolarHBondContact O-N 3.43Å; I370-L373 PolarHBondContact O-N 3.41Å; Q371-L373 VanDerWaalsContact C-N 3.32Å; Q371-L373 PolarHBondContact O-N 3.13Å; L373-I375 VanDerWaalsContact C-N 3.34Å; L373-K377 WeakPolarHBondContact O-CA 3.31Å; L373-K377 PolarHBondContact O-N 2.92Å; L373-P378 HydrophobicContact CD1-CG 3.88Å; L373-I381 HydrophobicContact CD1-CB 4.43Å; L373-I381 HydrophobicContact CD1-CG1 4.26Å; L373-I381 HydrophobicContact CD1-CG2 3.89Å; L373-I381 HydrophobicContact CD2-CG2 4.14Å; L373-F384 HydrophobicContact CB-CE1 4.28Å; L373-F384 HydrophobicContact CD1-CD1 3.52Å; L373-F384 HydrophobicContact CD1-CE1 3.86Å; L373-F384 HydrophobicContact CD1-CG 4.37Å
374L92.8Very high91.3Very high114 Ų11484.8 Ų84.860%0.59744%0.441SS*.Hα-helixtrans-72.2-26.8179.7-71.7172.9000113.1I370 Q371 D372 K377I370-L374 HydrophobicContact CG2-CD1 3.92Å; I370-L374 HydrophobicContact CG2-CG 4.35Å; I370-L374 WeakPolarHBondContact O-CB 3.37Å; I370-L374 VanDerWaalsContact O-CG 3.23Å; I370-L374 WeakPolarHBondContact O-CG 3.46Å; I370-L374 PolarHBondContact O-N 3.49Å; Q371-L374 PolarHBondContact O-N 3.03Å; Q371-L374 VanDerWaalsContact O-N 3.17Å; D372-L374 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 3.06Å; L374-K377 WeakPolarHBondContact O-CE 3.3Å; L374-K377 VanDerWaalsContact O-CG 3.3Å; L374-K377 WeakPolarHBondContact O-CG 3.41Å
375I92.8Very high91.5Very high130 Ų13083.5 Ų83.567%0.66743%0.43SS*.Hα-helixtrans-78.6-50.6175.9-67.9163.8000110.5Q371 D372 L373Q371-I375 WeakPolarHBondContact O-CD1 3.45Å; Q371-I375 VanDerWaalsContact O-CG1 3.26Å; Q371-I375 WeakPolarHBondContact O-CG1 3.44Å; Q371-I375 PolarHBondContact O-N 3.03Å; D372-I375 PolarHBondContact O-N 3.34Å; L373-I375 VanDerWaalsContact C-N 3.34Å
376V92.1Very high91.3Very high86 Ų8690.1 Ų90.152%0.52145%0.453SS..Hα-helixtrans-78-32.6-173.3177.90000111.8D372 P378 F384D372-V376 WeakPolarHBondContact O-CB 3.36Å; D372-V376 WeakPolarHBondContact O-CG2 3.27Å; D372-V376 PolarHBondContact O-N 3.01Å; V376-P378 HydrophobicContact CG1-CB 4.42Å; V376-F384 HydrophobicContact CB-CE2 4.32Å; V376-F384 HydrophobicContact CG1-CE2 4.17Å; V376-F384 HydrophobicContact CG2-CE2 4.35Å; V376-F384 HydrophobicContact CG2-CZ 4.47Å
377K91.3Very high91.2Very high160 Ų16091.9 Ų91.970%0.69646%0.459SS*.  trans43.358.1-176.5-61.8-173.9178.5-179.80113L373 L374L373-K377 WeakPolarHBondContact O-CA 3.31Å; L373-K377 PolarHBondContact O-N 2.92Å; L374-K377 WeakPolarHBondContact O-CE 3.3Å; L374-K377 VanDerWaalsContact O-CG 3.3Å; L374-K377 WeakPolarHBondContact O-CG 3.41Å
378P93.5Very high91.2Very high32 Ų3290.7 Ų90.721%0.20845%0.446CS..  trans-69145.2-17830.5-35000111.3L373 V376 N380 F384L373-P378 HydrophobicContact CD1-CG 3.88Å; V376-P378 HydrophobicContact CG1-CB 4.42Å; P378-N380 PolarHBondContact O-N 3.06Å; P378-F384 HydrophobicContact CB-CB 4.29Å; P378-F384 HydrophobicContact CB-CD2 4.43Å; P378-F384 HydrophobicContact CB-CG 4.48Å; P378-F384 HydrophobicContact CG-CB 3.79Å; P378-F384 HydrophobicContact CG-CD1 4.23Å; P378-F384 HydrophobicContact CG-CD2 4.03Å; P378-F384 HydrophobicContact CG-CG 3.76Å
379D88.1Confident91.1Very high181 Ų18190.4 Ų90.497%0.96844%0.441SS*.SBendtrans-63.8-23.6175.9-61.2-42.8000112.7
380N91.6Very high90.8Very high89 Ų8992.6 Ų92.648%0.47646%0.458SS..  trans-126.194.7178.1-169.4-27.2000112P378 F382 Q383 F384P378-N380 PolarHBondContact O-N 3.06Å; N380-F382 VanDerWaalsContact C-N 3.33Å; N380-F382 PolarHBondContact O-N 3.45Å; N380-F382 PolarHBondContact OD1-N 2.9Å; N380-Q383 HydrophobicContact CB-CB 4.19Å; N380-Q383 PolarHBondContact O-N 3.22Å; N380-Q383 PolarHBondContact OD1-N 3.45Å; N380-F384 PolarHBondContact O-N 2.96Å; N380-F384 VanDerWaalsContact O-N 3.14Å
381I90.6Very high90.4Very high90 Ų9092.3 Ų92.346%0.46246%0.462SS..Hα-helixtrans-62.1-38.1-179.5-58.7170.7000111.9L373 F384 A385L373-I381 HydrophobicContact CD1-CB 4.43Å; L373-I381 HydrophobicContact CD1-CG1 4.26Å; L373-I381 HydrophobicContact CD1-CG2 3.89Å; L373-I381 HydrophobicContact CD2-CG2 4.14Å; I381-F384 PolarHBondContact O-N 2.61Å; I381-A385 WeakPolarHBondContact O-CB 3.3Å; I381-A385 PolarHBondContact O-N 2.9Å
382F90.7Very high89.7Confident170 Ų17092.9 Ų92.975%0.74646%0.461SS*.Hα-helixtrans-70.4-38.5-177.3-63.7-73.9000112.5N380 R386N380-F382 VanDerWaalsContact C-N 3.33Å; N380-F382 PolarHBondContact O-N 3.45Å; N380-F382 PolarHBondContact OD1-N 2.9Å; F382-R386 PolarHBondContact O-N 3.21Å; F382-R386 VanDerWaalsContact O-N 3.12Å
383Q89.9Confident88.6Confident70 Ų7094.1 Ų94.133%0.32748%0.475SS..Hα-helixtrans-67.5-41.7174.2-176.362.72200110.7N380 R386 E387N380-Q383 HydrophobicContact CB-CB 4.19Å; N380-Q383 PolarHBondContact O-N 3.22Å; N380-Q383 PolarHBondContact OD1-N 3.45Å; Q383-R386 WeakPolarHBondContact O-CB 3.31Å; Q383-R386 PolarHBondContact O-N 3.39Å; Q383-E387 PolarHBondContact NE2-OE1 2.72Å; Q383-E387 PolarHBondContact O-N 2.96Å
384F91Very high87Confident37 Ų3798 Ų9816%0.16250%0.5CS..Hα-helixtrans-59.5-46.9174.9-178.3-100.5000112.2F369 D372 L373 V376 P378 N380 I381 R386 E387 Y388F369-F384 HydrophobicContact CD2-CE1 4.16Å; F369-F384 AromaticContact CE2-CD1 3.64Å; F369-F384 HydrophobicContact CE2-CD1 3.64Å; F369-F384 AromaticContact CE2-CE1 3.69Å; F369-F384 HydrophobicContact CE2-CE1 3.69Å; F369-F384 HydrophobicContact CZ-CD1 4.2Å; D372-F384 HydrophobicContact CB-CZ 4.24Å; L373-F384 HydrophobicContact CB-CE1 4.28Å; L373-F384 HydrophobicContact CD1-CD1 3.52Å; L373-F384 HydrophobicContact CD1-CE1 3.86Å; L373-F384 HydrophobicContact CD1-CG 4.37Å; V376-F384 HydrophobicContact CB-CE2 4.32Å; V376-F384 HydrophobicContact CG1-CE2 4.17Å; V376-F384 HydrophobicContact CG2-CE2 4.35Å; V376-F384 HydrophobicContact CG2-CZ 4.47Å; P378-F384 HydrophobicContact CB-CB 4.29Å; P378-F384 HydrophobicContact CB-CD2 4.43Å; P378-F384 HydrophobicContact CB-CG 4.48Å; P378-F384 HydrophobicContact CG-CB 3.79Å; P378-F384 HydrophobicContact CG-CD1 4.23Å; P378-F384 HydrophobicContact CG-CD2 4.03Å; P378-F384 HydrophobicContact CG-CG 3.76Å; N380-F384 PolarHBondContact O-N 2.96Å; N380-F384 VanDerWaalsContact O-N 3.14Å; I381-F384 PolarHBondContact O-N 2.61Å; F384-R386 VanDerWaalsContact C-N 3.31Å; F384-R386 PolarHBondContact O-N 3.27Å; F384-E387 PolarHBondContact O-N 3.31Å; F384-E387 VanDerWaalsContact O-N 3.16Å; F384-Y388 HydrophobicContact CE1-CD2 4.32Å; F384-Y388 HydrophobicContact CZ-CD2 4.33Å; F384-Y388 WeakPolarHBondContact O-CB 3.32Å; F384-Y388 PolarHBondContact O-N 3.32Å
385A90.8Very high85.3Confident23 Ų23101.5 Ų101.519%0.1951%0.506CS..Hα-helixtrans-58.7-41.2175.400000112.5F369 I381 E387 Y388 F389F369-A385 HydrophobicContact CE2-CB 4.12Å; F369-A385 HydrophobicContact CZ-CB 3.76Å; I381-A385 WeakPolarHBondContact O-CB 3.3Å; I381-A385 PolarHBondContact O-N 2.9Å; A385-E387 PolarHBondContact O-N 2.89Å; A385-Y388 PolarHBondContact O-N 2.99Å; A385-F389 HydrophobicContact CB-CD2 4.24Å; A385-F389 HydrophobicContact CB-CE2 4.07Å; A385-F389 WeakPolarHBondContact O-CD2 3.42Å; A385-F389 PolarHBondContact O-N 3.17Å
386R87.7Confident83.1Confident173 Ų173101.4 Ų101.465%0.65350%0.503SS*.Hα-helixtrans-62.3-30.8178.7-175.7-177.7-68.5148.9-5112.7F382 Q383 F384 P390F382-R386 PolarHBondContact O-N 3.21Å; F382-R386 VanDerWaalsContact O-N 3.12Å; Q383-R386 WeakPolarHBondContact O-CB 3.31Å; Q383-R386 PolarHBondContact O-N 3.39Å; F384-R386 VanDerWaalsContact C-N 3.31Å; F384-R386 PolarHBondContact O-N 3.27Å; R386-P390 WeakPolarHBondContact O-CD 3.37Å; R386-P390 WeakPolarHBondContact O-CG 3.3Å
387E89.1Confident80.5Confident130 Ų130103.1 Ų103.161%0.60752%0.519SS*.Hα-helixtrans-87.3-27.1177.5-68.9172-162.700112.4Q383 F384 A385 P390Q383-E387 PolarHBondContact NE2-OE1 2.72Å; Q383-E387 PolarHBondContact O-N 2.96Å; F384-E387 PolarHBondContact O-N 3.31Å; F384-E387 VanDerWaalsContact O-N 3.16Å; A385-E387 PolarHBondContact O-N 2.89Å; E387-P390 WeakPolarHBondContact O-CD 3.49Å
388Y88.9Confident78.2Confident30 Ų30100.8 Ų100.812%0.11852%0.52CS..Hα-helixtrans-76.5-46.8-176.9-172-85.8000114.3L365 D368 F369 D372 F384 A385 P390 P391 Y392L365-Y388 HydrophobicContact CD1-CE1 4.17Å; D368-Y388 VanDerWaalsContact C-OH 3.28Å; D368-Y388 WeakPolarHBondContact CB-OH 3.26Å; F369-Y388 WeakPolarHBondContact CA-OH 3.44Å; F369-Y388 HydrophobicContact CB-CD1 4.07Å; F369-Y388 HydrophobicContact CB-CE1 3.54Å; F369-Y388 AromaticContact CD2-CD1 3.34Å; F369-Y388 HydrophobicContact CD2-CD1 3.34Å; F369-Y388 AromaticContact CD2-CD2 3.87Å; F369-Y388 HydrophobicContact CD2-CD2 3.87Å; F369-Y388 AromaticContact CD2-CE1 3.69Å; F369-Y388 HydrophobicContact CD2-CE1 3.69Å; F369-Y388 HydrophobicContact CD2-CE2 4.17Å; F369-Y388 AromaticContact CD2-CG 3.45Å; F369-Y388 HydrophobicContact CD2-CG 3.45Å; F369-Y388 VanDerWaalsContact CD2-CG 3.45Å; F369-Y388 HydrophobicContact CE2-CD1 4.15Å; F369-Y388 HydrophobicContact CE2-CD2 4.46Å; F369-Y388 AromaticContact CE2-CG 3.95Å; F369-Y388 HydrophobicContact CE2-CG 3.95Å; F369-Y388 HydrophobicContact CG-CD1 4.07Å; F369-Y388 HydrophobicContact CG-CE1 4.06Å; F369-Y388 PolarHBondContact N-OH 3.46Å; F369-Y388 VanDerWaalsContact N-OH 3.13Å; D372-Y388 HydrophobicContact CB-CE2 4.09Å; D372-Y388 WeakPolarHBondContact OD2-CE2 3.37Å; F384-Y388 HydrophobicContact CE1-CD2 4.32Å; F384-Y388 HydrophobicContact CZ-CD2 4.33Å; F384-Y388 WeakPolarHBondContact O-CB 3.32Å; F384-Y388 PolarHBondContact O-N 3.32Å; A385-Y388 PolarHBondContact O-N 2.99Å; Y388-P390 VanDerWaalsContact C-CD 3.45Å; Y388-P391 VanDerWaalsContact O-CD 3.32Å; Y388-P391 WeakPolarHBondContact O-CD 3.21Å; Y388-Y392 HydrophobicContact CD1-CE2 4.3Å; Y388-Y392 AromaticContact CE1-CE2 4Å; Y388-Y392 HydrophobicContact CE1-CE2 4Å; Y388-Y392 WeakPolarHBondContact O-CE2 3.21Å
389F89.5Confident75.5Confident69 Ų69108.2 Ų108.230%0.30355%0.552SS.*SBendtrans-78.4-24.1-173-68.2-67.3000117.9L365 F369 A385 P391 Y392L365-F389 HydrophobicContact CD2-CD1 4.35Å; L365-F389 HydrophobicContact CD2-CE1 4.42Å; L365-F389 HydrophobicContact CG-CD1 4.5Å; L365-F389 HydrophobicContact CG-CE1 4.22Å; F369-F389 HydrophobicContact CB-CE1 4.35Å; F369-F389 HydrophobicContact CB-CZ 4.02Å; F369-F389 HydrophobicContact CD1-CE2 4.2Å; F369-F389 AromaticContact CD1-CZ 3.73Å; F369-F389 HydrophobicContact CD1-CZ 3.73Å; F369-F389 HydrophobicContact CD2-CE2 4.02Å; F369-F389 AromaticContact CD2-CZ 3.84Å; F369-F389 HydrophobicContact CD2-CZ 3.84Å; F369-F389 HydrophobicContact CE1-CE2 4.15Å; F369-F389 HydrophobicContact CE1-CZ 4.14Å; F369-F389 AromaticContact CE2-CE2 3.95Å; F369-F389 HydrophobicContact CE2-CE2 3.95Å; F369-F389 HydrophobicContact CE2-CZ 4.22Å; F369-F389 HydrophobicContact CG-CE1 4.32Å; F369-F389 HydrophobicContact CG-CE2 4.13Å; F369-F389 AromaticContact CG-CZ 3.55Å; F369-F389 HydrophobicContact CG-CZ 3.55Å; F369-F389 HydrophobicContact CZ-CE2 4.03Å; F369-F389 HydrophobicContact CZ-CZ 4.37Å; A385-F389 HydrophobicContact CB-CD2 4.24Å; A385-F389 HydrophobicContact CB-CE2 4.07Å; A385-F389 WeakPolarHBondContact O-CD2 3.42Å; A385-F389 PolarHBondContact O-N 3.17Å; F389-P391 VanDerWaalsContact C-CD 3.4Å; F389-Y392 PolarHBondContact O-N 2.9Å; F389-Y392 VanDerWaalsContact O-N 3.08Å
390P87.8Confident73.4Confident69 Ų69104.6 Ų104.645%0.44854%0.541SS..G310 helixtrans-53-39.3-177.3-27.433.9000116.6R386 E387 Y388 Y392 S393R386-P390 WeakPolarHBondContact O-CD 3.37Å; R386-P390 WeakPolarHBondContact O-CG 3.3Å; E387-P390 WeakPolarHBondContact O-CD 3.49Å; Y388-P390 VanDerWaalsContact C-CD 3.45Å; P390-Y392 PolarHBondContact O-N 2.97Å; P390-Y392 VanDerWaalsContact O-N 3.15Å; P390-S393 WeakPolarHBondContact O-CB 3.23Å; P390-S393 PolarHBondContact O-N 3.43Å; P390-S393 VanDerWaalsContact O-N 3.16Å; P390-S393 PolarHBondContact O-OG 3.4Å
391P84.2Confident70.8Confident86 Ų86107.6 Ų107.656%0.55856%0.557SS**G310 helixtrans-60.1-24.9178-24.335.5000114.3Y388 F389 T394Y388-P391 VanDerWaalsContact O-CD 3.32Å; Y388-P391 WeakPolarHBondContact O-CD 3.21Å; F389-P391 VanDerWaalsContact C-CD 3.4Å; P391-T394 PolarHBondContact O-OG1 3.26Å
392Y77.1Confident68.6Low110 Ų110108 Ų10843%0.43157%0.565SS.*G310 helixtrans-89.3-8.9-177.5-54.3-83.2000113.3L365 Y388 F389 P390 T394L365-Y392 HydrophobicContact CD1-CD1 3.55Å; L365-Y392 HydrophobicContact CD1-CD2 3.63Å; L365-Y392 HydrophobicContact CD1-CE1 3.49Å; L365-Y392 VanDerWaalsContact CD1-CE1 3.49Å; L365-Y392 HydrophobicContact CD1-CE2 3.58Å; L365-Y392 HydrophobicContact CD1-CG 3.59Å; L365-Y392 VanDerWaalsContact CD1-CZ 3.5Å; L365-Y392 HydrophobicContact CD2-CD1 4.42Å; L365-Y392 HydrophobicContact CD2-CG 4.13Å; Y388-Y392 HydrophobicContact CD1-CE2 4.3Å; Y388-Y392 AromaticContact CE1-CE2 4Å; Y388-Y392 HydrophobicContact CE1-CE2 4Å; Y388-Y392 WeakPolarHBondContact O-CE2 3.21Å; F389-Y392 PolarHBondContact O-N 2.9Å; F389-Y392 VanDerWaalsContact O-N 3.08Å; P390-Y392 PolarHBondContact O-N 2.97Å; P390-Y392 VanDerWaalsContact O-N 3.15Å; Y392-T394 PolarHBondContact O-N 3.45Å
393S69.6Low66.4Low94 Ų94109.6 Ų109.666%0.65757%0.572SS**G310 helixtrans-72.9-6.8-179.565.60000114.7P390P390-S393 WeakPolarHBondContact O-CB 3.23Å; P390-S393 PolarHBondContact O-N 3.43Å; P390-S393 VanDerWaalsContact O-N 3.16Å; P390-S393 PolarHBondContact O-OG 3.4Å
394T58.1Low63.7Low115 Ų115112.5 Ų112.571%0.70660%0.595SS**G310 helixtrans-89-2.9-174.4-4.70000114.9P391 Y392P391-T394 PolarHBondContact O-OG1 3.26Å; Y392-T394 PolarHBondContact O-N 3.45Å
395Y56.1Low61.3Low187 Ų187116.1 Ų116.173%0.73362%0.622SS**SBendtrans-107.9123.2173.5-69.5-90.2000107.7
396H47.5Very low58.6Low128 Ų128120.5 Ų120.559%0.59365%0.651SS**  trans92.375.5-175.9-47.4-70.6000116.3
397S38Very low56.7Low123 Ų123121.6 Ų121.686%0.8668%0.681SS**  trans-98.297.8130.2-73.80000107.3E399S397-E399 PolarHBondContact O-N 3.45Å
398P42Very low55.1Low111 Ų111121.2 Ų121.272%0.72168%0.684SS**  trans-63.6131.5162.4-11.227.3000107.5S400P398-S400 PolarHBondContact O-N 3.36Å
399E36.5Very low53.3Low187 Ų187125.9 Ų125.987%0.87471%0.714SS**  trans-43.5123.7-179.2-63.3175.3145.200112S397 N401S397-E399 PolarHBondContact O-N 3.45Å; E399-N401 PolarHBondContact O-N 3.17Å; E399-N401 VanDerWaalsContact O-N 3.15Å
400S44.7Very low51.3Low106 Ų106129.1 Ų129.174%0.74174%0.737SS**  trans-55.4114.8154.854.50000108.8P398P398-S400 PolarHBondContact O-N 3.36Å
401N37.6Very low49.1Very low151 Ų151132.6 Ų132.681%0.80775%0.754SS**  trans-175.7162.1149.2-106.7-15.3000112.3E399E399-N401 PolarHBondContact O-N 3.17Å; E399-N401 VanDerWaalsContact O-N 3.15Å
402P43.5Very low47Very low98 Ų98135.6 Ų135.664%0.63677%0.766SS**  cis-125.5171.1-39.524-4000110.2T404P402-T404 PolarHBondContact O-N 2.74Å
403K44.6Very low44.9Very low204 Ų204137.3 Ų137.389%0.88779%0.789SS**  trans-50.7137162.2-68.2173.5175.8177.30110.6
404T34.3Very low43.2Very low132 Ų132140.4 Ų140.481%0.8180%0.798SS**  trans-148.6154.8149.715.70000110.4P402P402-T404 PolarHBondContact O-N 2.74Å
405P39.9Very low42Very low113 Ų113142.3 Ų142.373%0.73481%0.805SS**  trans-101.9166.7-137.236.8-27.2000113.3
406S34.9Very low40.9Very low114 Ų114138.6 Ų138.680%0.79781%0.811SS**  trans-53.6140.4168.5-51.90000112.9
407P46.9Very low40.3Very low196 Ų196139.5 Ų139.5100%1.27383%0.831SS**  trans-88.70131.70.419.2000110.9

Retrieved 407 of 407 residues in 396.7 ms (Link to these results)