G4VK12_SCHMA Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession G4VK12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 392 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
1M32.7Very low30.6Very low246 Ų246142.5 Ų142.5100%1.21286%0.86SS**  0135.50-72.1174.2105.300107.8
2S35.7Very low30.5Very low123 Ų123143.3 Ų143.386%0.8686%0.856SS**  trans65.7109.6179.1-134.50000118.4
3S36.1Very low30.2Very low112 Ų112137.3 Ų137.378%0.78384%0.843SS**PPolyproline II helixtrans-59.1131.1168.242.90000112.4
4G30.2Very low30.3Very low78 Ų78139 Ų13980%0.80484%0.844SS**PPolyproline II helixtrans-76139.7171.300000112.1
5C27.3Very low30Very low122 Ų122141.7 Ų141.782%0.82484%0.844SS**PPolyproline II helixtrans-59.4137.1171.4-56.10000112
6C32.4Very low30.2Very low136 Ų136143.2 Ų143.292%0.91985%0.846SS**  trans-141102.3145.1-80.90000106.2
7S26.1Very low30.1Very low101 Ų101141.1 Ų141.171%0.70684%0.841SS**  trans-81.2164.1157.7-61.80000108.6
8D26.3Very low29.7Very low148 Ų148142.4 Ų142.479%0.79184%0.843SS**  trans91.3102.6171.4-51-23.9000113.8
9D32Very low29.8Very low159 Ų159140.7 Ų140.785%0.8584%0.839SS**  -163.5145.2119.9-88-29000111.3
10Q29.4Very low29.6Very low174 Ų174139.2 Ų139.281%0.81384%0.835SS**  trans-76159-152.1-74.4153.9-43.700115.6D12Q10-D12 PolarHBondContact O-N 3.33Å
11D28Very low29.4Very low168 Ų168140.3 Ų140.390%0.89884%0.836SS**  trans-58104.5169.5-152.55.6000109.9G13D11-G13 PolarHBondContact O-N 3.39Å
12D30.1Very low29Very low152 Ų152137.8 Ų137.881%0.81382%0.821SS**  trans-68.999.1174.7-80-36000109.8Q10 D14Q10-D12 PolarHBondContact O-N 3.33Å; D12-D14 PolarHBondContact O-N 3.37Å
13G27Very low28.6Very low66 Ų66137 Ų13768%0.6882%0.815SS**  trans-66.6113.8163.700000110.4D11 E15D11-G13 PolarHBondContact O-N 3.39Å; G13-E15 PolarHBondContact O-N 3.22Å
14D31.6Very low27.9Very low161 Ų161135.8 Ų135.886%0.86181%0.812SS**  trans-67.894.6168.1-77.3-39.2000109.5D12 D16D12-D14 PolarHBondContact O-N 3.37Å; D14-D16 PolarHBondContact O-N 3.47Å
15E26Very low27.8Very low179 Ų179139.4 Ų139.484%0.83681%0.811SS**  trans-67.9105.7159.2-70.5-176159.900109.5G13G13-E15 PolarHBondContact O-N 3.22Å
16D32.6Very low27.6Very low166 Ų166141.3 Ų141.389%0.88881%0.807SS**  trans-105.6110.7159.1-92.8-31.8000108.3D14D14-D16 PolarHBondContact O-N 3.47Å
17S28.4Very low27.4Very low107 Ų107142 Ų14275%0.74880%0.802SS**  trans-64.7131.3-169.7-39.90000113.7
18D23.6Very low27.1Very low166 Ų166144 Ų14489%0.88881%0.805SS**  trans-61.4128.5157.2-83.8-40.5000110.3
19S30.7Very low27.2Very low109 Ų109142.5 Ų142.576%0.76281%0.806SS**  trans-118.792.8159.646.50000109.5
20S25.2Very low26.8Very low110 Ų110144.8 Ų144.877%0.76981%0.811SS**  39.492.4127.8-43.60000118.1
21I26.7Very low26.8Very low164 Ų164140.7 Ų140.784%0.84181%0.808SS**  trans-128.483.9141.5-58.2-178.6000107.3
22H23.4Very low27Very low193 Ų193137.9 Ų137.989%0.89480%0.798SS**  trans-82.5117.6161.7-115.1-76.7000107.6
23S27Very low26.9Very low106 Ų106136.8 Ų136.874%0.74180%0.803SS**  trans-152.2121.8150.760.10000109.7
24A22.8Very low27.2Very low87 Ų87137.9 Ų137.972%0.71980%0.8SS**  trans-58.3139.5-174.200000114.5
25I27Very low27Very low153 Ų153136.5 Ų136.579%0.78579%0.792SS**  trans-140.4103140.7-59.3-175.5000106.7
26H22.8Very low27.1Very low162 Ų162139.5 Ų139.575%0.7580%0.797SS**  trans-62126157.8-95.2-91.3000108.1
27N28Very low26.9Very low151 Ų151135.9 Ų135.981%0.80779%0.785SS**  trans-152.6104.2152.4-91.8-32.1000107.4S29N27-S29 PolarHBondContact O-N 3.15Å
28D21.3Very low26.7Very low144 Ų144140.4 Ų140.477%0.7779%0.791SS**  trans-63.3118.8170.1-65.5-50.4000109.4
29S28.1Very low26.9Very low115 Ų115137.3 Ų137.380%0.80478%0.781SS**  trans-161.9106.2157.6-77.50000107.6N27 A31N27-S29 PolarHBondContact O-N 3.15Å; S29-A31 PolarHBondContact O-N 3.42Å
30E22.5Very low26.6Very low207 Ų207139.2 Ų139.297%0.96778%0.781SS**  trans-52.7118.5179.3-65.9171.9139.400111.8
31A29.8Very low26.7Very low89 Ų89141.8 Ų141.874%0.73679%0.786SS**  trans-150.4147.5165.900000109.6S29S29-A31 PolarHBondContact O-N 3.42Å
32P32.9Very low26.8Very low109 Ų109137.5 Ų137.571%0.70878%0.783SS**  -85.4121.8-128.231-34.4000113.4S34P32-S34 VanDerWaalsContact C-N 3.32Å; P32-S34 PolarHBondContact O-N 3.18Å
33S28.3Very low27.1Very low129 Ų129134.3 Ų134.390%0.90278%0.782SS**THydrogen-bonded Turntrans-85.227.8-17949.50000115
34S32.3Very low27.2Very low89 Ų89135.4 Ų135.462%0.62278%0.78SS**THydrogen-bonded Turntrans-118.32.9-17367.90000117.7P32 Y36P32-S34 VanDerWaalsContact C-N 3.32Å; P32-S34 PolarHBondContact O-N 3.18Å; S34-Y36 PolarHBondContact O-N 3.1Å
35L28.5Very low27.8Very low132 Ų132143.7 Ų143.769%0.69179%0.792SS**THydrogen-bonded Turntrans-80.9-6.3-178.7-79.3167.5000115.6
36Y27.4Very low28.2Very low241 Ų241142.5 Ų142.595%0.94578%0.783SS**THydrogen-bonded Turntrans-97.8-2.2-176.4-98.4-83000116.2S34S34-Y36 PolarHBondContact O-N 3.1Å
37S27.7Very low29.1Very low91 Ų91138.9 Ų138.964%0.63677%0.769SS**SBendtrans-135.273.2-177.466.10000112.7
38K25.2Very low29.8Very low202 Ų202137.1 Ų137.188%0.87877%0.767SS**  trans-17798.3154.3-104.5159.5-173.7-179.20110.1
39C27.1Very low30.8Very low100 Ų100133 Ų13368%0.67674%0.744SS**  trans-163.877.9150.7-930000108.6K51C39-K51 PolarHBondContact SG-NZ 2.79Å
40I24.9Very low31.8Very low149 Ų149130.3 Ų130.376%0.76472%0.72SS**  trans-97.1139.9160.8-74.6173.2000106.8
41N26.1Very low33.1Very low164 Ų164127.5 Ų127.588%0.87770%0.704SS**  trans75.2117.5169.9-61.4-17.7000118.4
42G29.4Very low34.2Very low74 Ų74126.9 Ų126.976%0.76369%0.688SS**  trans16392165.500000112.4N44G42-N44 PolarHBondContact O-N 3.12Å
43S30.1Very low35.6Very low126 Ų126122.5 Ų122.588%0.88166%0.66SS**  trans-60.299.1172.1-59.50000110.9
44N27.9Very low37.3Very low130 Ų130126.6 Ų126.670%0.69566%0.656SS**  trans-155.5137.2150.5-102-26.1000107.4G42 H46G42-N44 PolarHBondContact O-N 3.12Å; N44-H46 PolarHBondContact O-N 2.8Å
45R35.5Very low39Very low260 Ų260127.5 Ų127.598%0.98165%0.65SS**SBendtrans-66.324.8180-66.6-179.5175.2-177.4-1.4113.5N47R45-N47 PolarHBondContact O-N 3.16Å
46H36.8Very low41Very low128 Ų128123 Ų12359%0.59363%0.626SS**SBendtrans-78.4115.9163.2-73.2-67000107.4N44 P48 I50N44-H46 PolarHBondContact O-N 2.8Å; H46-P48 WeakPolarHBondContact O-CD 3.37Å; H46-I50 HydrophobicContact CB-CD1 4.41Å
47N41.2Very low43.2Very low86 Ų86114 Ų11446%0.4660%0.601SS.*  trans-45.7116.1175.3-160.3-7.7000108.7R45 L49 I50R45-N47 PolarHBondContact O-N 3.16Å; N47-L49 PolarHBondContact O-N 2.96Å; N47-I50 HydrophobicContact CB-CD1 4.25Å; N47-I50 WeakPolarHBondContact O-CG1 3.43Å; N47-I50 PolarHBondContact O-N 3.19Å; N47-I50 VanDerWaalsContact O-N 3.08Å
48P41.9Very low45.8Very low115 Ų115115 Ų11575%0.74760%0.599SS**G310 helixtrans-61.1-7.1-168.819.3-31.3000114.4H46 I50H46-P48 WeakPolarHBondContact O-CD 3.37Å; P48-I50 VanDerWaalsContact C-N 3.31Å; P48-I50 PolarHBondContact O-N 3.13Å
49L43.8Very low48.7Very low57 Ų57108.9 Ų108.930%0.29858%0.576SS.*G310 helixtrans-74.2-12.1175.1-62.5173.7000114.6N47 K51 Y177 L339N47-L49 PolarHBondContact O-N 2.96Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 2.98Å; L49-Y177 HydrophobicContact CB-CD1 4.05Å; L49-Y177 HydrophobicContact CB-CE1 3.75Å; L49-Y177 PolarHBondContact O-OH 3.29Å; L49-L339 HydrophobicContact CD1-CD2 3.64Å
50I48.1Very low51.6Low58 Ų58105.6 Ų105.630%0.29755%0.553SS.*G310 helixtrans-70.1-17.9-174.7-67.7167.1000113.4H46 N47 P48 I52 S53H46-I50 HydrophobicContact CB-CD1 4.41Å; N47-I50 HydrophobicContact CB-CD1 4.25Å; N47-I50 WeakPolarHBondContact O-CG1 3.43Å; N47-I50 PolarHBondContact O-N 3.19Å; N47-I50 VanDerWaalsContact O-N 3.08Å; P48-I50 VanDerWaalsContact C-N 3.31Å; P48-I50 PolarHBondContact O-N 3.13Å; I50-I52 PolarHBondContact O-N 3.15Å; I50-I52 VanDerWaalsContact O-N 3.08Å; I50-S53 PolarHBondContact O-N 3.12Å; I50-S53 PolarHBondContact O-OG 3.22Å
51K50Low54.6Low148 Ų148103.6 Ų103.664%0.64354%0.544SS*.G310 helixtrans-62.8-21.5-173.7-74.4-171.7178.3-1770115C39 L49C39-K51 PolarHBondContact SG-NZ 2.79Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 2.98Å
52I53.6Low57.6Low77 Ų7797.7 Ų97.740%0.39552%0.518SS..Hα-helixtrans-72.3-30-174.7-61.1166.6000112.4I50 R54 E55 E56I50-I52 PolarHBondContact O-N 3.15Å; I50-I52 VanDerWaalsContact O-N 3.08Å; I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 PolarHBondContact O-N 3.31Å; I52-E55 PolarHBondContact O-N 2.91Å; I52-E56 HydrophobicContact CG2-CG 4.05Å; I52-E56 PolarHBondContact O-N 3.48Å
53S61.8Low60.5Low17 Ų1796.6 Ų96.612%0.11949%0.492CS..Hα-helixtrans-64.2-32.4-169.665.20000114.3I50 A57I50-S53 PolarHBondContact O-N 3.12Å; I50-S53 PolarHBondContact O-OG 3.22Å; S53-A57 PolarHBondContact O-N 3.14Å
54R64.2Low63.3Low215 Ų21592.1 Ų92.181%0.81146%0.46SS*.Hα-helixtrans-71.3-40.5178.3-74.8-174.1-179.9177.40112.7I52 E56 A57 D58I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 PolarHBondContact O-N 3.31Å; R54-E56 VanDerWaalsContact C-N 3.27Å; R54-E56 PolarHBondContact O-N 3Å; R54-A57 PolarHBondContact O-N 3.5Å; R54-D58 PolarHBondContact O-N 3.23Å; R54-D58 VanDerWaalsContact O-N 3.14Å
55E68.6Low66.2Low108 Ų10892.3 Ų92.351%0.50546%0.455SS..Hα-helixtrans-63.9-35.3178.9-64.9178176.500111I52 D58 L59I52-E55 PolarHBondContact O-N 2.91Å; E55-D58 WeakPolarHBondContact O-CB 3.46Å; E55-D58 PolarHBondContact O-N 3.38Å; E55-L59 WeakPolarHBondContact O-CG 3.4Å; E55-L59 PolarHBondContact O-N 3.41Å
56E68.9Low68.6Low37 Ų3782.9 Ų82.917%0.17343%0.428CS..Hα-helixtrans-73.8-38.1178.9-65.3172.713600113.5I52 R54 D58 L59 C60 R172I52-E56 HydrophobicContact CG2-CG 4.05Å; I52-E56 PolarHBondContact O-N 3.48Å; R54-E56 VanDerWaalsContact C-N 3.27Å; R54-E56 PolarHBondContact O-N 3Å; E56-D58 PolarHBondContact O-N 3.04Å; E56-L59 PolarHBondContact O-N 3.2Å; E56-C60 PolarHBondContact O-N 3.12Å; E56-C60 PolarHBondContact O-SG 3.48Å; E56-C60 VanDerWaalsContact O-SG 3.39Å; E56-R172 IonicContact OE1-CZ 3.65Å; E56-R172 IonicContact OE1-NH1 3.54Å; E56-R172 PolarHBondContact OE1-NH1 3.42Å; E56-R172 IonicContact OE1-NH2 3.51Å; E56-R172 PolarHBondContact OE1-NH2 3.24Å; E56-R172 IonicContact OE2-CZ 2.92Å; E56-R172 IonicContact OE2-NH1 3.32Å; E56-R172 PolarHBondContact OE2-NH1 3.33Å; E56-R172 IonicContact OE2-NH2 3.74Å
57A74.1Confident71Confident51 Ų5177.5 Ų77.542%0.42140%0.403SS..Hα-helixtrans-60-37.5170.700000110.5S53 R54 C60 N61S53-A57 PolarHBondContact O-N 3.14Å; R54-A57 PolarHBondContact O-N 3.5Å; A57-C60 PolarHBondContact O-N 3.46Å; A57-N61 VanDerWaalsContact O-CG 3.29Å; A57-N61 PolarHBondContact O-N 3.26Å; A57-N61 VanDerWaalsContact O-N 3.08Å; A57-N61 PolarHBondContact O-ND2 3.28Å
58D83.1Confident73Confident112 Ų11280.9 Ų80.960%0.59941%0.409SS*.Hα-helixtrans-65.6-41.3174.3-152.113.5000111.6R54 E55 E56 C60 N61 A62R54-D58 PolarHBondContact O-N 3.23Å; R54-D58 VanDerWaalsContact O-N 3.14Å; E55-D58 WeakPolarHBondContact O-CB 3.46Å; E55-D58 PolarHBondContact O-N 3.38Å; E56-D58 PolarHBondContact O-N 3.04Å; D58-C60 PolarHBondContact O-N 3.01Å; D58-N61 PolarHBondContact O-N 2.72Å; D58-A62 WeakPolarHBondContact O-CB 3.25Å; D58-A62 PolarHBondContact O-N 2.97Å
59L86.4Confident75.1Confident75 Ų7582.2 Ų82.239%0.39341%0.405SS..Hα-helixtrans-62.5-42173.6-72.4175.3000113.2E55 E56 N61 A62 F63 Y126E55-L59 WeakPolarHBondContact O-CG 3.4Å; E55-L59 PolarHBondContact O-N 3.41Å; E56-L59 PolarHBondContact O-N 3.2Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 3.02Å; L59-A62 PolarHBondContact O-N 3.37Å; L59-F63 HydrophobicContact CD2-CZ 4.43Å; L59-F63 WeakPolarHBondContact O-CB 3.05Å; L59-F63 WeakPolarHBondContact O-CG 3.21Å; L59-F63 PolarHBondContact O-N 3.25Å; L59-Y126 HydrophobicContact CB-CE1 4.2Å; L59-Y126 WeakPolarHBondContact CB-OH 3.44Å
60C87.3Confident76.9Confident30 Ų3083.3 Ų83.320%0.20341%0.412CS..Hα-helixtrans-59.5-44.5175-68.40000111.1E56 A57 D58 T64 L127E56-C60 PolarHBondContact O-N 3.12Å; E56-C60 PolarHBondContact O-SG 3.48Å; E56-C60 VanDerWaalsContact O-SG 3.39Å; A57-C60 PolarHBondContact O-N 3.46Å; D58-C60 PolarHBondContact O-N 3.01Å; C60-T64 VanDerWaalsContact O-CB 3.3Å; C60-T64 WeakPolarHBondContact O-CB 3.41Å; C60-T64 PolarHBondContact O-N 2.95Å; C60-T64 PolarHBondContact O-OG1 3.46Å; C60-L127 HydrophobicContact CB-CD2 4.36Å; C60-L127 WeakPolarHBondContact O-CD2 3.13Å
61N87.8Confident78.2Confident108 Ų10886.8 Ų86.858%0.57844%0.441SS*.Hα-helixtrans-67.5-44177.7-70.8-26.1000111.6A57 D58 L59 T64 K65A57-N61 VanDerWaalsContact O-CG 3.29Å; A57-N61 PolarHBondContact O-N 3.26Å; A57-N61 VanDerWaalsContact O-N 3.08Å; A57-N61 PolarHBondContact O-ND2 3.28Å; D58-N61 PolarHBondContact O-N 2.72Å; L59-N61 VanDerWaalsContact C-N 3.31Å; L59-N61 PolarHBondContact O-N 3.02Å; N61-T64 PolarHBondContact O-N 3.35Å; N61-K65 WeakPolarHBondContact O-CB 3.3Å; N61-K65 PolarHBondContact O-N 2.98Å
62A88.9Confident79.3Confident40 Ų4080.9 Ų80.933%0.33142%0.423SS..Hα-helixtrans-60.9-47.9178.300000111.3D58 L59 K65 C66D58-A62 WeakPolarHBondContact O-CB 3.25Å; D58-A62 PolarHBondContact O-N 2.97Å; L59-A62 PolarHBondContact O-N 3.37Å; A62-K65 WeakPolarHBondContact O-CB 3.48Å; A62-K65 PolarHBondContact O-N 3.48Å; A62-C66 PolarHBondContact O-N 2.83Å; A62-C66 PolarHBondContact O-SG 3.11Å
63F90.4Very high80.1Confident50 Ų5080.5 Ų80.522%0.21942%0.417CS..Hα-helixtrans-67.4-38.6177.5-69.5-12.7000112.6L59 K65 C66 I67 R123 Y126 L127L59-F63 HydrophobicContact CD2-CZ 4.43Å; L59-F63 WeakPolarHBondContact O-CB 3.05Å; L59-F63 WeakPolarHBondContact O-CG 3.21Å; L59-F63 PolarHBondContact O-N 3.25Å; F63-K65 VanDerWaalsContact C-N 3.28Å; F63-K65 PolarHBondContact O-N 3.2Å; F63-C66 PolarHBondContact O-N 3.36Å; F63-I67 WeakPolarHBondContact O-CB 3.29Å; F63-I67 VanDerWaalsContact O-CG1 3.26Å; F63-I67 WeakPolarHBondContact O-CG1 3.35Å; F63-I67 PolarHBondContact O-N 3.5Å; F63-R123 HydrophobicContact CB-CB 4.22Å; F63-R123 HydrophobicContact CB-CG 4.45Å; F63-R123 HydrophobicContact CD1-CG 3.99Å; F63-R123 HydrophobicContact CD2-CB 4.41Å; F63-R123 HydrophobicContact CD2-CG 4.39Å; F63-R123 HydrophobicContact CE1-CG 4.34Å; F63-R123 HydrophobicContact CG-CB 4.19Å; F63-R123 HydrophobicContact CG-CG 4.02Å; F63-Y126 AromaticContact CD2-CD1 3.44Å; F63-Y126 HydrophobicContact CD2-CD1 3.44Å; F63-Y126 VanDerWaalsContact CD2-CD1 3.44Å; F63-Y126 HydrophobicContact CD2-CD2 4.34Å; F63-Y126 AromaticContact CD2-CE1 3.97Å; F63-Y126 HydrophobicContact CD2-CE1 3.97Å; F63-Y126 AromaticContact CD2-CG 3.66Å; F63-Y126 HydrophobicContact CD2-CG 3.66Å; F63-Y126 AromaticContact CE2-CD1 3.77Å; F63-Y126 HydrophobicContact CE2-CD1 3.77Å; F63-Y126 AromaticContact CE2-CD2 3.83Å; F63-Y126 HydrophobicContact CE2-CD2 3.83Å; F63-Y126 HydrophobicContact CE2-CE1 4.12Å; F63-Y126 HydrophobicContact CE2-CE2 4.21Å; F63-Y126 AromaticContact CE2-CG 3.61Å; F63-Y126 HydrophobicContact CE2-CG 3.61Å; F63-L127 HydrophobicContact CB-CD2 4.37Å
64T88.2Confident80.7Confident32 Ų3285.9 Ų85.920%0.19644%0.444CS..Hα-helixtrans-59-43.1172.8-61.60000110.9C60 N61 R68C60-T64 VanDerWaalsContact O-CB 3.3Å; C60-T64 WeakPolarHBondContact O-CB 3.41Å; C60-T64 PolarHBondContact O-N 2.95Å; C60-T64 PolarHBondContact O-OG1 3.46Å; N61-T64 PolarHBondContact O-N 3.35Å; T64-R68 VanDerWaalsContact O-CG 3.29Å; T64-R68 WeakPolarHBondContact O-CG 3.27Å; T64-R68 PolarHBondContact O-N 3.42Å; T64-R68 VanDerWaalsContact O-N 3.12Å
65K88.7Confident81.1Confident135 Ų13577.8 Ų77.859%0.58743%0.427SS*.Hα-helixtrans-64.5-49.9175.9-174.7174.8-179.8-177.90111.4N61 A62 F63 I67 R68 H69N61-K65 WeakPolarHBondContact O-CB 3.3Å; N61-K65 PolarHBondContact O-N 2.98Å; A62-K65 WeakPolarHBondContact O-CB 3.48Å; A62-K65 PolarHBondContact O-N 3.48Å; F63-K65 VanDerWaalsContact C-N 3.28Å; F63-K65 PolarHBondContact O-N 3.2Å; K65-I67 VanDerWaalsContact C-N 3.31Å; K65-I67 PolarHBondContact O-N 2.91Å; K65-R68 PolarHBondContact O-N 3.01Å; K65-H69 PolarHBondContact O-CD2 2.9Å; K65-H69 PolarHBondContact O-N 3.26Å
66C86.9Confident81.4Confident61 Ų6178 Ų7841%0.41243%0.427SS..Hα-helixtrans-56.4-43.9178.1-70.40000112.4A62 F63 H69 D70A62-C66 PolarHBondContact O-N 2.83Å; A62-C66 PolarHBondContact O-SG 3.11Å; F63-C66 PolarHBondContact O-N 3.36Å; C66-H69 PolarHBondContact O-N 2.91Å; C66-D70 PolarHBondContact O-N 3.34Å
67I86.4Confident81.9Confident16 Ų1679.9 Ų79.98%0.08243%0.433CS..Hα-helixtrans-64.4-44.3179.1-70.7169.4000110.7F63 K65 H69 D70 Y73 Y77 R123 L127F63-I67 WeakPolarHBondContact O-CB 3.29Å; F63-I67 VanDerWaalsContact O-CG1 3.26Å; F63-I67 WeakPolarHBondContact O-CG1 3.35Å; F63-I67 PolarHBondContact O-N 3.5Å; K65-I67 VanDerWaalsContact C-N 3.31Å; K65-I67 PolarHBondContact O-N 2.91Å; I67-H69 VanDerWaalsContact C-N 3.28Å; I67-H69 PolarHBondContact O-N 3.33Å; I67-D70 WeakPolarHBondContact O-CB 3.45Å; I67-D70 PolarHBondContact O-N 2.84Å; I67-Y73 HydrophobicContact CG2-CD2 3.59Å; I67-Y73 HydrophobicContact CG2-CE2 3.42Å; I67-Y73 VanDerWaalsContact CG2-CE2 3.42Å; I67-Y73 WeakPolarHBondContact O-CB 3.42Å; I67-Y73 VanDerWaalsContact O-CD2 3.27Å; I67-Y73 WeakPolarHBondContact O-CD2 3.49Å; I67-Y77 HydrophobicContact CD1-CD1 4.1Å; I67-Y77 HydrophobicContact CG2-CD1 4.19Å; I67-R123 HydrophobicContact CD1-CB 3.84Å; I67-R123 HydrophobicContact CG1-CB 4.11Å; I67-L127 HydrophobicContact CD1-CD1 3.67Å
68R85Confident82.5Confident156 Ų15677.9 Ų77.959%0.58942%0.415SS*.Hα-helixtrans-68.3-25.8-179.7-71.2-179.6-167-1456.4113.8T64 K65 Y73T64-R68 VanDerWaalsContact O-CG 3.29Å; T64-R68 WeakPolarHBondContact O-CG 3.27Å; T64-R68 PolarHBondContact O-N 3.42Å; T64-R68 VanDerWaalsContact O-N 3.12Å; K65-R68 PolarHBondContact O-N 3.01Å; R68-Y73 HydrophobicContact CG-CE1 4.37Å
69H85.2Confident82.4Confident143 Ų14376.5 Ų76.566%0.66241%0.405SS*.THydrogen-bonded Turntrans-92.8-0.1177.8-75.9-74.3000113.6K65 C66 I67 S71K65-H69 PolarHBondContact O-CD2 2.9Å; K65-H69 PolarHBondContact O-N 3.26Å; C66-H69 PolarHBondContact O-N 2.91Å; I67-H69 VanDerWaalsContact C-N 3.28Å; I67-H69 PolarHBondContact O-N 3.33Å; H69-S71 PolarHBondContact O-N 3.42Å
70D81.8Confident82.3Confident80 Ų8075.3 Ų75.343%0.42840%0.402SS..  trans-65.9131.3173.4-165.1-24.2000109.6C66 I67 G72 Y73C66-D70 PolarHBondContact O-N 3.34Å; I67-D70 WeakPolarHBondContact O-CB 3.45Å; I67-D70 PolarHBondContact O-N 2.84Å; D70-G72 PolarHBondContact O-N 3.18Å; D70-G72 PolarHBondContact OD1-N 2.89Å; D70-G72 VanDerWaalsContact OD1-N 3.13Å; D70-Y73 WeakPolarHBondContact O-CB 3.38Å; D70-Y73 PolarHBondContact O-N 3.25Å
71S75.1Confident81.9Confident131 Ų13181.8 Ų81.892%0.91643%0.431SS*.THydrogen-bonded Turntrans-63.5-21.6179.756.30000112.6H69H69-S71 PolarHBondContact O-N 3.42Å
72G72.6Confident81.5Confident25 Ų2583 Ų8326%0.25843%0.433SS..THydrogen-bonded Turntrans-91.46.7172.900000114.9D70 N74 Q79D70-G72 PolarHBondContact O-N 3.18Å; D70-G72 PolarHBondContact OD1-N 2.89Å; D70-G72 VanDerWaalsContact OD1-N 3.13Å; G72-N74 PolarHBondContact O-N 3.11Å; G72-Q79 PolarHBondContact O-NE2 2.94Å
73Y71.9Confident80.5Confident69 Ų6990.7 Ų90.727%0.27146%0.459SS..  trans-67.9100.6-174.4-176.6-111.1000112.5I67 R68 D70 G75 F76I67-Y73 HydrophobicContact CG2-CD2 3.59Å; I67-Y73 HydrophobicContact CG2-CE2 3.42Å; I67-Y73 VanDerWaalsContact CG2-CE2 3.42Å; I67-Y73 WeakPolarHBondContact O-CB 3.42Å; I67-Y73 VanDerWaalsContact O-CD2 3.27Å; I67-Y73 WeakPolarHBondContact O-CD2 3.49Å; R68-Y73 HydrophobicContact CG-CE1 4.37Å; D70-Y73 WeakPolarHBondContact O-CB 3.38Å; D70-Y73 PolarHBondContact O-N 3.25Å; Y73-G75 VanDerWaalsContact C-N 3.29Å; Y73-G75 VanDerWaalsContact CZ-CA 3.44Å; Y73-G75 PolarHBondContact O-N 2.95Å; Y73-F76 WeakPolarHBondContact CE2-O 3.38Å
74N72.6Confident79.2Confident129 Ų12994.7 Ų94.769%0.6949%0.492SS*.SBendtrans-91.623.1176.8-67.5-22.1000113.1G72 F76G72-N74 PolarHBondContact O-N 3.11Å; N74-F76 VanDerWaalsContact C-N 3.3Å; N74-F76 HydrophobicContact CB-CD2 4Å; N74-F76 HydrophobicContact CB-CE2 4.45Å; N74-F76 WeakPolarHBondContact O-CD2 3.33Å
75G74.4Confident78.4Confident45 Ų4596 Ų9646%0.46450%0.502SS..SBendtrans84.9-2.8-172.800000114.9Y73Y73-G75 VanDerWaalsContact C-N 3.29Å; Y73-G75 VanDerWaalsContact CZ-CA 3.44Å; Y73-G75 PolarHBondContact O-N 2.95Å
76F73.6Confident78Confident112 Ų11296.3 Ų96.349%0.49152%0.521SS..  trans-99.5135.2179.6-62.4-80.4000111.9Y73 N74 L78Y73-F76 WeakPolarHBondContact CE2-O 3.38Å; N74-F76 VanDerWaalsContact C-N 3.3Å; N74-F76 HydrophobicContact CB-CD2 4Å; N74-F76 HydrophobicContact CB-CE2 4.45Å; N74-F76 WeakPolarHBondContact O-CD2 3.33Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.28Å
77Y79Confident77.9Confident78 Ų7897.1 Ų97.131%0.30653%0.528SS..SBendtrans-74.4-18.8176.9-68.9-79.1000114.2I67 F95 G124 L127I67-Y77 HydrophobicContact CD1-CD1 4.1Å; I67-Y77 HydrophobicContact CG2-CD1 4.19Å; Y77-F95 AromaticContact CD2-CD2 3.84Å; Y77-F95 HydrophobicContact CD2-CD2 3.84Å; Y77-F95 AromaticContact CD2-CE2 4Å; Y77-F95 HydrophobicContact CD2-CE2 4Å; Y77-F95 HydrophobicContact CE2-CD2 4.24Å; Y77-F95 HydrophobicContact CE2-CE2 4.29Å; Y77-G124 WeakPolarHBondContact O-CA 3.29Å; Y77-L127 HydrophobicContact CD1-CD1 3.64Å; Y77-L127 HydrophobicContact CE1-CD1 3.76Å
78L86.6Confident77.9Confident9 Ų9102.2 Ų102.25%0.04756%0.56CS.*  trans-122.9140.5-179.4-63.3177000109.3F76 I90 S91 L98 C122 F125 L128F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.28Å; L78-I90 HydrophobicContact CD1-CG2 4.42Å; L78-S91 WeakPolarHBondContact O-CB 3.4Å; L78-L98 HydrophobicContact CD1-CD1 3.71Å; L78-C122 WeakPolarHBondContact CD2-SG 3.37Å; L78-F125 HydrophobicContact CD1-CE2 4.15Å; L78-F125 HydrophobicContact CD1-CZ 4.36Å; L78-F125 HydrophobicContact CD2-CD2 3.76Å; L78-F125 HydrophobicContact CD2-CE2 4.08Å; L78-F125 HydrophobicContact CD2-CG 4.38Å; L78-L128 HydrophobicContact CD1-CD1 4.06Å
79Q82.5Confident78Confident82 Ų8297.6 Ų97.638%0.38355%0.545SS..  trans-141.7145.1177.5-61.3-168.95.100110.8G72 H89G72-Q79 PolarHBondContact O-NE2 2.94Å; Q79-H89 VanDerWaalsContact C-CE1 3.47Å
80P82.8Confident78.2Confident51 Ų5194.1 Ų94.133%0.33153%0.531SS..  trans-69.2135.9173.527.6-31.8000110.4H82 H89P80-H82 VanDerWaalsContact C-N 3.31Å; P80-H89 HydrophobicContact CB-CB 4.32Å
81M79.8Confident78.4Confident166 Ų16691.3 Ų91.382%0.81852%0.517SS*.SBendtrans-67.6-34.4172.5-169.4171.387.200111.8
82H78.3Confident79Confident132 Ų13289.7 Ų89.761%0.61150%0.502SS*.  trans-116122.1178.7-61.8-64.4000110.4P80 C84P80-H82 VanDerWaalsContact C-N 3.31Å; H82-C84 VanDerWaalsContact C-N 3.28Å; H82-C84 PolarHBondContact O-N 3.17Å
83K68.3Low79.9Confident202 Ų20291.4 Ų91.488%0.87850%0.504SS*.SBendtrans-70.2-20.4-179.8-65.8-178.9179.9178.20113.6
84C63.3Low80.7Confident134 Ų13491.3 Ų91.391%0.90551%0.512SS*.  trans-104.257.2-172.6-71.30000113.7H82H82-C84 VanDerWaalsContact C-N 3.28Å; H82-C84 PolarHBondContact O-N 3.17Å
85S72.5Confident81.3Confident60 Ų6087.9 Ų87.942%0.4249%0.491SS..  trans-104.5135.6165.460.90000110.5S87S85-S87 PolarHBondContact O-N 3.32Å; S85-S87 PolarHBondContact OG-O 3.27Å
86S80.4Confident82.1Confident141 Ų14192 Ų9299%0.98650%0.499SS*.SBendtrans-69-13.9171.653.50000113.2
87S83.7Confident83Confident79 Ų7990.9 Ų90.955%0.55250%0.497SS*.SBendtrans-89.1143.6177.557.70000112.5S85 H89S85-S87 PolarHBondContact O-N 3.32Å; S85-S87 PolarHBondContact OG-O 3.27Å; S87-H89 PolarHBondContact O-N 3.19Å
88T86.5Confident83.7Confident123 Ų12387.7 Ų87.776%0.75549%0.485SS*.PPolyproline II helixtrans-62.5125.5170.8-48.90000110.7V92T88-V92 HydrophobicContact CG2-CB 4.02Å; T88-V92 HydrophobicContact CG2-CG1 4.24Å; T88-V92 HydrophobicContact CG2-CG2 3.86Å
89H87.8Confident83.9Confident59 Ų5988 Ų8827%0.27349%0.487SS..PPolyproline II helixtrans-78.2148.9178-173.7-104.9000111.7Q79 P80 S87 S91 V92Q79-H89 VanDerWaalsContact C-CE1 3.47Å; P80-H89 HydrophobicContact CB-CB 4.32Å; S87-H89 PolarHBondContact O-N 3.19Å; H89-S91 WeakPolarHBondContact ND1-CB 3.44Å; H89-S91 PolarHBondContact ND1-N 3.06Å; H89-S91 VanDerWaalsContact ND1-N 3.16Å; H89-S91 PolarHBondContact ND1-OG 2.79Å; H89-S91 PolarHBondContact O-N 3.39Å; H89-S91 VanDerWaalsContact O-N 3.12Å; H89-V92 WeakPolarHBondContact O-CB 3.29Å; H89-V92 WeakPolarHBondContact O-CG2 3.26Å; H89-V92 PolarHBondContact O-N 2.77Å; H89-V92 VanDerWaalsContact O-N 3.1Å
90I89.5Confident84.4Confident70 Ų7091.4 Ų91.436%0.35950%0.496SS..G310 helixtrans-60.7-24.2-178.5-168.5158.2000113.7L78 V92 L93 L98 F125L78-I90 HydrophobicContact CD1-CG2 4.42Å; I90-V92 PolarHBondContact O-N 2.49Å; I90-L93 HydrophobicContact CG1-CD1 4.28Å; I90-L93 WeakPolarHBondContact O-CB 3.43Å; I90-L93 PolarHBondContact O-N 3.13Å; I90-L93 VanDerWaalsContact O-N 3.15Å; I90-L98 HydrophobicContact CD1-CD2 4.11Å; I90-L98 HydrophobicContact CG1-CD2 3.63Å; I90-F125 HydrophobicContact CD1-CZ 4.12Å
91S86.3Confident84.9Confident20 Ų2092.8 Ų92.814%0.1450%0.5CS..G310 helixtrans-66.2-12.7176.8670000114.6L78 H89 L93L78-S91 WeakPolarHBondContact O-CB 3.4Å; H89-S91 WeakPolarHBondContact ND1-CB 3.44Å; H89-S91 PolarHBondContact ND1-N 3.06Å; H89-S91 VanDerWaalsContact ND1-N 3.16Å; H89-S91 PolarHBondContact ND1-OG 2.79Å; H89-S91 PolarHBondContact O-N 3.39Å; H89-S91 VanDerWaalsContact O-N 3.12Å; S91-L93 PolarHBondContact O-N 3.29Å
92V87.8Confident85.5Confident98 Ų9885.2 Ų85.259%0.59446%0.463SS*.G310 helixtrans-68.9-24.2174.3176.80000110.9T88 H89 I90T88-V92 HydrophobicContact CG2-CB 4.02Å; T88-V92 HydrophobicContact CG2-CG1 4.24Å; T88-V92 HydrophobicContact CG2-CG2 3.86Å; H89-V92 WeakPolarHBondContact O-CB 3.29Å; H89-V92 WeakPolarHBondContact O-CG2 3.26Å; H89-V92 PolarHBondContact O-N 2.77Å; H89-V92 VanDerWaalsContact O-N 3.1Å; I90-V92 PolarHBondContact O-N 2.49Å
93L89.9Confident86.1Confident61 Ų6180.2 Ų80.232%0.31944%0.438SS..SBendtrans-73.9131.9176.8-63.8173.7000110.6I90 S91 L97 L98 I101I90-L93 HydrophobicContact CG1-CD1 4.28Å; I90-L93 WeakPolarHBondContact O-CB 3.43Å; I90-L93 PolarHBondContact O-N 3.13Å; I90-L93 VanDerWaalsContact O-N 3.15Å; S91-L93 PolarHBondContact O-N 3.29Å; L93-L97 HydrophobicContact CB-CB 4.3Å; L93-L97 HydrophobicContact CD2-CD1 3.98Å; L93-L98 HydrophobicContact CB-CD2 3.97Å; L93-L98 HydrophobicContact CB-CG 4.07Å; L93-L98 HydrophobicContact CD1-CD2 4.07Å; L93-I101 HydrophobicContact CD1-CD1 3.58Å
94P89.5Confident87.1Confident67 Ų6779.5 Ų79.544%0.43543%0.43SS..  trans-55.1155.1169.6-25.534.3000112.5E96 L97 L98P94-E96 VanDerWaalsContact CB-OE2 3.3Å; P94-E96 WeakPolarHBondContact CB-OE2 3.21Å; P94-E96 PolarHBondContact O-N 3.44Å; P94-E96 VanDerWaalsContact O-N 3.15Å; P94-L97 PolarHBondContact O-N 2.87Å; P94-L98 PolarHBondContact O-N 3.04Å; P94-L98 VanDerWaalsContact O-N 3.12Å
95F85.8Confident88.3Confident57 Ų5775.1 Ų75.125%0.2540%0.403CS..Hα-helixtrans-55.1-37-177.8-167.1-101.1000111.9Y77 L97 L98 L99 L128Y77-F95 AromaticContact CD2-CD2 3.84Å; Y77-F95 HydrophobicContact CD2-CD2 3.84Å; Y77-F95 AromaticContact CD2-CE2 4Å; Y77-F95 HydrophobicContact CD2-CE2 4Å; Y77-F95 HydrophobicContact CE2-CD2 4.24Å; Y77-F95 HydrophobicContact CE2-CE2 4.29Å; F95-L97 PolarHBondContact O-N 2.92Å; F95-L98 PolarHBondContact O-N 3.48Å; F95-L99 HydrophobicContact CD1-CD1 3.67Å; F95-L99 HydrophobicContact CD1-CG 4.01Å; F95-L99 HydrophobicContact CE1-CD1 3.59Å; F95-L99 HydrophobicContact CE1-CD2 4.17Å; F95-L99 HydrophobicContact CE1-CG 3.92Å; F95-L99 HydrophobicContact CZ-CD2 4.49Å; F95-L99 WeakPolarHBondContact O-CG 3.47Å; F95-L99 PolarHBondContact O-N 2.93Å; F95-L128 HydrophobicContact CD1-CD2 4.45Å; F95-L128 HydrophobicContact CD2-CD2 3.56Å; F95-L128 HydrophobicContact CD2-CG 4.27Å; F95-L128 HydrophobicContact CE1-CD2 4.21Å; F95-L128 HydrophobicContact CE2-CD2 3.25Å; F95-L128 HydrophobicContact CE2-CG 3.69Å; F95-L128 HydrophobicContact CG-CD2 4.16Å; F95-L128 HydrophobicContact CZ-CD2 3.61Å; F95-L128 HydrophobicContact CZ-CG 4.23Å
96E91Very high89Confident132 Ų13272.4 Ų72.462%0.61738%0.384SS*.Hα-helixtrans-64.9-39178.7-58.675.8-165.700112.4P94 L99 R100P94-E96 VanDerWaalsContact CB-OE2 3.3Å; P94-E96 WeakPolarHBondContact CB-OE2 3.21Å; P94-E96 PolarHBondContact O-N 3.44Å; P94-E96 VanDerWaalsContact O-N 3.15Å; E96-L99 PolarHBondContact O-N 3.31Å; E96-R100 WeakPolarHBondContact O-CB 3.37Å; E96-R100 PolarHBondContact O-N 3.33Å
97L92Very high89.1Confident87 Ų8766.5 Ų66.546%0.45535%0.345SS..Hα-helixtrans-71.8-37.3177.2-64.8-168.5000111L93 P94 F95 R100 I101L93-L97 HydrophobicContact CB-CB 4.3Å; L93-L97 HydrophobicContact CD2-CD1 3.98Å; P94-L97 PolarHBondContact O-N 2.87Å; F95-L97 PolarHBondContact O-N 2.92Å; L97-R100 WeakPolarHBondContact O-CB 3.39Å; L97-R100 PolarHBondContact O-N 3.12Å; L97-I101 VanDerWaalsContact O-CG1 3.29Å; L97-I101 WeakPolarHBondContact O-CG1 3.23Å; L97-I101 PolarHBondContact O-N 3.09Å
98L92.6Very high88.6Confident11 Ų1163.1 Ų63.16%0.05832%0.322CS..Hα-helixtrans-62.2-46.2172.8-64.3171.1000111L78 I90 L93 P94 F95 R100 I101 I102 L128L78-L98 HydrophobicContact CD1-CD1 3.71Å; I90-L98 HydrophobicContact CD1-CD2 4.11Å; I90-L98 HydrophobicContact CG1-CD2 3.63Å; L93-L98 HydrophobicContact CB-CD2 3.97Å; L93-L98 HydrophobicContact CB-CG 4.07Å; L93-L98 HydrophobicContact CD1-CD2 4.07Å; P94-L98 PolarHBondContact O-N 3.04Å; P94-L98 VanDerWaalsContact O-N 3.12Å; F95-L98 PolarHBondContact O-N 3.48Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.02Å; L98-I101 PolarHBondContact O-N 3.39Å; L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.36Å; L98-I102 PolarHBondContact O-N 3.11Å; L98-L128 HydrophobicContact CB-CD1 4.07Å; L98-L128 HydrophobicContact CB-CD2 3.85Å; L98-L128 HydrophobicContact CD1-CD1 3.99Å
99L92.3Very high87.8Confident15 Ų1558.6 Ų58.68%0.07929%0.292CS..Hα-helixtrans-60.4-36.2174.2-72178.5000112.3F95 E96 I102 R103 L128 D131 I134F95-L99 HydrophobicContact CD1-CD1 3.67Å; F95-L99 HydrophobicContact CD1-CG 4.01Å; F95-L99 HydrophobicContact CE1-CD1 3.59Å; F95-L99 HydrophobicContact CE1-CD2 4.17Å; F95-L99 HydrophobicContact CE1-CG 3.92Å; F95-L99 HydrophobicContact CZ-CD2 4.49Å; F95-L99 WeakPolarHBondContact O-CG 3.47Å; F95-L99 PolarHBondContact O-N 2.93Å; E96-L99 PolarHBondContact O-N 3.31Å; L99-I102 PolarHBondContact O-N 3.14Å; L99-R103 WeakPolarHBondContact O-CG 3.12Å; L99-R103 PolarHBondContact O-N 3.5Å; L99-L128 HydrophobicContact CD2-CD2 3.84Å; L99-L128 HydrophobicContact CG-CD2 4.03Å; L99-D131 HydrophobicContact CD2-CB 3.64Å; L99-I134 HydrophobicContact CD2-CD1 3.66Å; L99-I134 HydrophobicContact CD2-CG1 4.25Å
100R92.3Very high87.5Confident154 Ų15456.2 Ų56.258%0.58128%0.281SS*.Hα-helixtrans-67.1-42.2175-175.963.266.4-175.84.2111.9E96 L97 L98 I102 R103 W104E96-R100 WeakPolarHBondContact O-CB 3.37Å; E96-R100 PolarHBondContact O-N 3.33Å; L97-R100 WeakPolarHBondContact O-CB 3.39Å; L97-R100 PolarHBondContact O-N 3.12Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.02Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.87Å; R100-R103 PolarHBondContact O-N 3.47Å; R100-W104 PolarHBondContact O-N 2.99Å
101I92.7Very high87.1Confident81 Ų8155.2 Ų55.242%0.41528%0.277SS..Hα-helixtrans-62.2-41.9175.1-68.7164.2000110.3L93 L97 L98 W104 A105L93-I101 HydrophobicContact CD1-CD1 3.58Å; L97-I101 VanDerWaalsContact O-CG1 3.29Å; L97-I101 WeakPolarHBondContact O-CG1 3.23Å; L97-I101 PolarHBondContact O-N 3.09Å; L98-I101 PolarHBondContact O-N 3.39Å; I101-W104 WeakPolarHBondContact O-CB 3.18Å; I101-W104 PolarHBondContact O-N 3.35Å; I101-A105 WeakPolarHBondContact O-CB 3.4Å; I101-A105 PolarHBondContact O-N 3.45Å
102I92.5Very high87.1Confident6 Ų656 Ų563%0.03128%0.279CS..Hα-helixtrans-64.9-44.1177.7-66.3172000111L98 L99 R100 W104 A105 I106 L115 L118 L128 I134L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.36Å; L98-I102 PolarHBondContact O-N 3.11Å; L99-I102 PolarHBondContact O-N 3.14Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.87Å; I102-W104 VanDerWaalsContact C-N 3.27Å; I102-W104 PolarHBondContact O-N 3.08Å; I102-A105 PolarHBondContact O-N 3.27Å; I102-A105 VanDerWaalsContact O-N 3.11Å; I102-I106 HydrophobicContact CG2-CD1 4.14Å; I102-I106 HydrophobicContact CG2-CG1 4.48Å; I102-I106 WeakPolarHBondContact O-CG1 3.3Å; I102-I106 PolarHBondContact O-N 2.75Å; I102-L115 HydrophobicContact CG2-CD2 3.43Å; I102-L115 VanDerWaalsContact CG2-CD2 3.43Å; I102-L118 HydrophobicContact CB-CD1 4.47Å; I102-L118 HydrophobicContact CD1-CD1 4.17Å; I102-L118 HydrophobicContact CG1-CD1 3.81Å; I102-L118 HydrophobicContact CG2-CD1 4.02Å; I102-L128 HydrophobicContact CD1-CB 3.59Å; I102-L128 HydrophobicContact CD1-CD1 4.38Å; I102-L128 HydrophobicContact CD1-CD2 4.35Å; I102-L128 HydrophobicContact CD1-CG 4.34Å; I102-I134 HydrophobicContact CB-CD1 4.23Å; I102-I134 HydrophobicContact CG2-CD1 3.68Å
103R91Very high87Confident27 Ų2758.4 Ų58.410%0.10228%0.277CS..Hα-helixtrans-56-43.9172.7-77.4-179.6175.482.11.1111.9L99 R100 I106 G107 S133 D137 L392L99-R103 WeakPolarHBondContact O-CG 3.12Å; L99-R103 PolarHBondContact O-N 3.5Å; R100-R103 PolarHBondContact O-N 3.47Å; R103-I106 PolarHBondContact O-N 3.36Å; R103-G107 PolarHBondContact O-N 3.17Å; R103-G107 VanDerWaalsContact O-N 3.09Å; R103-S133 PolarHBondContact NH2-OG 2.81Å; R103-D137 IonicContact CZ-OD2 3.31Å; R103-D137 VanDerWaalsContact CZ-OD2 3.31Å; R103-D137 IonicContact NE-OD2 3.96Å; R103-D137 PolarHBondContact NE-OD2 3.07Å; R103-D137 IonicContact NH2-OD2 2.79Å; R103-D137 PolarHBondContact NH2-OD2 2.74Å; R103-L392 HydrophobicContact CB-CB 4.1Å; R103-L392 HydrophobicContact CG-CB 4.32Å
104W90.2Very high86.9Confident188 Ų18857.1 Ų57.171%0.71227%0.272SS*.Hα-helixtrans-63.3-41.4175.5-175.683.4000112.3R100 I101 I102 G107R100-W104 PolarHBondContact O-N 2.99Å; I101-W104 WeakPolarHBondContact O-CB 3.18Å; I101-W104 PolarHBondContact O-N 3.35Å; I102-W104 VanDerWaalsContact C-N 3.27Å; I102-W104 PolarHBondContact O-N 3.08Å; W104-G107 WeakPolarHBondContact O-CA 3.35Å; W104-G107 PolarHBondContact O-N 2.86Å; W104-G107 VanDerWaalsContact O-N 3.12Å
105A88.4Confident87.1Confident41 Ų4154.1 Ų54.134%0.33925%0.252SS..Hα-helixtrans-68.4-33.9179.800000113.5I101 I102 G107 V114I101-A105 WeakPolarHBondContact O-CB 3.4Å; I101-A105 PolarHBondContact O-N 3.45Å; I102-A105 PolarHBondContact O-N 3.27Å; I102-A105 VanDerWaalsContact O-N 3.11Å; A105-G107 VanDerWaalsContact C-N 3.31Å; A105-V114 HydrophobicContact CB-CG1 3.99Å
106I87.3Confident87.3Confident4 Ų453.3 Ų53.32%0.02126%0.26CS..Hα-helixtrans-66-39.9170.1-62.8161.1000109.9I102 R103 L110 N111 L115 I134 I138 L392I102-I106 HydrophobicContact CG2-CD1 4.14Å; I102-I106 HydrophobicContact CG2-CG1 4.48Å; I102-I106 WeakPolarHBondContact O-CG1 3.3Å; I102-I106 PolarHBondContact O-N 2.75Å; R103-I106 PolarHBondContact O-N 3.36Å; I106-L110 HydrophobicContact CG2-CD1 4.37Å; I106-N111 PolarHBondContact O-N 3Å; I106-L115 HydrophobicContact CD1-CD1 4.05Å; I106-L115 HydrophobicContact CD1-CD2 3.96Å; I106-L115 HydrophobicContact CD1-CG 4.07Å; I106-L115 HydrophobicContact CG1-CD2 4.31Å; I106-L115 HydrophobicContact CG1-CG 4.21Å; I106-I134 HydrophobicContact CD1-CG2 3.55Å; I106-I138 HydrophobicContact CD1-CD1 4.37Å; I106-L392 HydrophobicContact CB-CD1 3.64Å; I106-L392 HydrophobicContact CD1-CD1 3.9Å; I106-L392 HydrophobicContact CG1-CD1 4.42Å; I106-L392 HydrophobicContact CG2-CD1 3.3Å
107G80.8Confident87.4Confident16 Ų1651.4 Ų51.417%0.16526%0.257CS..THydrogen-bonded Turntrans66.1-171.8173.700000114.2R103 W104 A105 H109 L110R103-G107 PolarHBondContact O-N 3.17Å; R103-G107 VanDerWaalsContact O-N 3.09Å; W104-G107 WeakPolarHBondContact O-CA 3.35Å; W104-G107 PolarHBondContact O-N 2.86Å; W104-G107 VanDerWaalsContact O-N 3.12Å; A105-G107 VanDerWaalsContact C-N 3.31Å; G107-H109 VanDerWaalsContact C-N 3.28Å; G107-H109 PolarHBondContact O-N 2.96Å; G107-L110 PolarHBondContact O-N 3.44Å
108S73.8Confident87.4Confident9 Ų948.8 Ų48.86%0.06324%0.243CC..THydrogen-bonded Turntrans-69-22-177.751.20000114.8L110S108-L110 VanDerWaalsContact C-N 3.28Å
109H70.7Confident87.5Confident28 Ų2849.3 Ų49.313%0.1325%0.248CC..THydrogen-bonded Turntrans-881.7179.6-71-89.1000113.3G107 N111 P385 D386G107-H109 VanDerWaalsContact C-N 3.28Å; G107-H109 PolarHBondContact O-N 2.96Å; H109-N111 PolarHBondContact O-N 3.32Å; H109-P385 WeakPolarHBondContact CD2-CA 3.34Å; H109-P385 WeakPolarHBondContact CD2-CB 3.42Å; H109-P385 WeakPolarHBondContact NE2-CA 3.48Å; H109-P385 WeakPolarHBondContact NE2-CB 3.3Å; H109-D386 VanDerWaalsContact CE1-CG 3.46Å; H109-D386 PolarHBondContact CE1-N 3.07Å; H109-D386 IonicContact CE1-OD1 2.96Å; H109-D386 PolarHBondContact CE1-OD1 2.79Å; H109-D386 IonicContact CE1-OD2 3.49Å; H109-D386 PolarHBondContact NE2-N 3.08Å; H109-D386 IonicContact NE2-OD1 2.61Å; H109-D386 IonicContact NE2-OD2 3.47Å
110L80.9Confident87.5Confident8 Ų854.1 Ų54.14%0.04228%0.281CS..THydrogen-bonded Turntrans56.753175.7-156.881.2000111.9I106 G107 S108 I112 I138 K141 L142 L392I106-L110 HydrophobicContact CG2-CD1 4.37Å; G107-L110 PolarHBondContact O-N 3.44Å; S108-L110 VanDerWaalsContact C-N 3.28Å; L110-I112 HydrophobicContact CD2-CD1 4Å; L110-I112 HydrophobicContact CD2-CG1 4.33Å; L110-I112 HydrophobicContact CG-CD1 4.16Å; L110-I112 HydrophobicContact CG-CG1 3.95Å; L110-I112 PolarHBondContact O-N 3.28Å; L110-I138 HydrophobicContact CD1-CB 4.09Å; L110-I138 HydrophobicContact CD1-CG1 3.77Å; L110-I138 HydrophobicContact CD1-CG2 4.03Å; L110-I138 HydrophobicContact CD2-CG2 4.09Å; L110-I138 HydrophobicContact CG-CG2 4.3Å; L110-K141 HydrophobicContact CD1-CB 4.28Å; L110-K141 HydrophobicContact CD1-CG 4.44Å; L110-L142 HydrophobicContact CD2-CD1 3.7Å; L110-L142 HydrophobicContact CD2-CD2 3.27Å; L110-L142 HydrophobicContact CD2-CG 3.33Å; L110-L392 HydrophobicContact CD1-CD1 4.19Å; L110-L392 HydrophobicContact CD1-CD2 4.11Å
111N81.3Confident87.5Confident49 Ų4951.1 Ų51.126%0.26228%0.28SS..  trans-76.673.2178-171.99000111.2I106 H109 R113 V114I106-N111 PolarHBondContact O-N 3Å; H109-N111 PolarHBondContact O-N 3.32Å; N111-R113 PolarHBondContact O-N 2.7Å; N111-R113 WeakPolarHBondContact OD1-CB 3.39Å; N111-V114 HydrophobicContact CB-CG2 4.22Å; N111-V114 WeakPolarHBondContact O-CB 3.48Å; N111-V114 WeakPolarHBondContact O-CG2 3.46Å; N111-V114 PolarHBondContact O-N 2.87Å
112I86.1Confident87.4Confident37 Ų3749.8 Ų49.819%0.1928%0.278CS..THydrogen-bonded Turntrans-57.3-23.1-178-54.8175.4000111.5L110 V114 L115 W135 I138L110-I112 HydrophobicContact CD2-CD1 4Å; L110-I112 HydrophobicContact CD2-CG1 4.33Å; L110-I112 HydrophobicContact CG-CD1 4.16Å; L110-I112 HydrophobicContact CG-CG1 3.95Å; L110-I112 PolarHBondContact O-N 3.28Å; I112-V114 PolarHBondContact O-N 3.45Å; I112-L115 HydrophobicContact CG2-CD1 4.18Å; I112-L115 VanDerWaalsContact O-CB 3.25Å; I112-L115 WeakPolarHBondContact O-CB 3.42Å; I112-L115 PolarHBondContact O-N 2.84Å; I112-W135 HydrophobicContact CG2-CH2 3.49Å; I112-W135 VanDerWaalsContact CG2-CH2 3.49Å; I112-W135 HydrophobicContact CG2-CZ2 4.47Å; I112-W135 HydrophobicContact CG2-CZ3 3.65Å; I112-I138 HydrophobicContact CD1-CG2 3.76Å; I112-I138 HydrophobicContact CG1-CD1 4.21Å; I112-I138 HydrophobicContact CG1-CG2 4.36Å
113R85.1Confident87.3Confident149 Ų14956 Ų5656%0.56230%0.3SS*.Hα-helixtrans-59.4-28.7175.7-171.8174.5-179.4164.81.2113.2N111 L115 G116 V117N111-R113 PolarHBondContact O-N 2.7Å; N111-R113 WeakPolarHBondContact OD1-CB 3.39Å; R113-L115 PolarHBondContact O-N 3.05Å; R113-G116 PolarHBondContact O-N 3.32Å; R113-V117 PolarHBondContact O-N 3.19Å
114V88.9Confident87.3Confident34 Ų3454.7 Ų54.721%0.20630%0.296CS..Hα-helixtrans-57-38.2174.3175.30000110.2A105 N111 I112 G116 V117 L118A105-V114 HydrophobicContact CB-CG1 3.99Å; N111-V114 HydrophobicContact CB-CG2 4.22Å; N111-V114 WeakPolarHBondContact O-CB 3.48Å; N111-V114 WeakPolarHBondContact O-CG2 3.46Å; N111-V114 PolarHBondContact O-N 2.87Å; I112-V114 PolarHBondContact O-N 3.45Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.26Å; V114-V117 PolarHBondContact O-N 2.86Å; V114-L118 HydrophobicContact CG1-CD1 3.81Å; V114-L118 HydrophobicContact CG1-CG 4.14Å; V114-L118 WeakPolarHBondContact O-CB 3.19Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 3.26Å
115L92.6Very high87.4Confident3 Ų347.1 Ų47.12%0.01627%0.268CS..Hα-helixtrans-63.2-39176-62.8177000112.4I102 I106 I112 R113 S119 A129 I134 W135 I138I102-L115 HydrophobicContact CG2-CD2 3.43Å; I102-L115 VanDerWaalsContact CG2-CD2 3.43Å; I106-L115 HydrophobicContact CD1-CD1 4.05Å; I106-L115 HydrophobicContact CD1-CD2 3.96Å; I106-L115 HydrophobicContact CD1-CG 4.07Å; I106-L115 HydrophobicContact CG1-CD2 4.31Å; I106-L115 HydrophobicContact CG1-CG 4.21Å; I112-L115 HydrophobicContact CG2-CD1 4.18Å; I112-L115 VanDerWaalsContact O-CB 3.25Å; I112-L115 WeakPolarHBondContact O-CB 3.42Å; I112-L115 PolarHBondContact O-N 2.84Å; R113-L115 PolarHBondContact O-N 3.05Å; L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-N 3.31Å; L115-S119 PolarHBondContact O-OG 2.91Å; L115-A129 HydrophobicContact CB-CB 4.15Å; L115-A129 HydrophobicContact CD2-CB 4Å; L115-A129 WeakPolarHBondContact O-CB 3.07Å; L115-I134 HydrophobicContact CD1-CG2 3.89Å; L115-I134 HydrophobicContact CD2-CG2 4.28Å; L115-W135 HydrophobicContact CD1-CH2 4.18Å; L115-W135 HydrophobicContact CD1-CZ2 3.77Å; L115-I138 HydrophobicContact CD1-CD1 3.8Å
116G91.1Very high87.6Confident40 Ų4046.4 Ų46.441%0.41226%0.257SS..Hα-helixtrans-63.7-45.9174.400000112.3R113 V114 S119 C120R113-G116 PolarHBondContact O-N 3.32Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.26Å; G116-S119 WeakPolarHBondContact O-CB 3.47Å; G116-S119 PolarHBondContact O-N 2.92Å; G116-C120 PolarHBondContact O-N 3.46Å; G116-C120 PolarHBondContact O-SG 3.01Å; G116-C120 VanDerWaalsContact O-SG 3.32Å
117V92.5Very high87.8Confident92 Ų9247.2 Ų47.256%0.55826%0.261SS*.Hα-helixtrans-63.7-44.8177.4176.60000111.2R113 V114 S119 C120R113-V117 PolarHBondContact O-N 3.19Å; V114-V117 PolarHBondContact O-N 2.86Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 3.48Å; V117-C120 PolarHBondContact O-N 3.21Å
118L93Very high88.3Confident32 Ų3246.4 Ų46.417%0.16825%0.253CS..Hα-helixtrans-59.4-44.2175-70.8172.1000110.8I102 V114 C120 V121 F125 A129I102-L118 HydrophobicContact CB-CD1 4.47Å; I102-L118 HydrophobicContact CD1-CD1 4.17Å; I102-L118 HydrophobicContact CG1-CD1 3.81Å; I102-L118 HydrophobicContact CG2-CD1 4.02Å; V114-L118 HydrophobicContact CG1-CD1 3.81Å; V114-L118 HydrophobicContact CG1-CG 4.14Å; V114-L118 WeakPolarHBondContact O-CB 3.19Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 3.26Å; L118-C120 PolarHBondContact O-N 2.77Å; L118-C120 VanDerWaalsContact O-N 3.11Å; L118-V121 WeakPolarHBondContact O-CB 3.34Å; L118-V121 WeakPolarHBondContact O-CG2 3.3Å; L118-V121 PolarHBondContact O-N 3.3Å; L118-F125 HydrophobicContact CB-CD1 4.24Å; L118-F125 HydrophobicContact CD2-CD1 3.8Å; L118-F125 HydrophobicContact CD2-CE1 3.79Å; L118-F125 WeakPolarHBondContact O-CB 3.21Å; L118-A129 HydrophobicContact CB-CB 4.33Å
119S93.2Very high89.2Confident23 Ų2346 Ų4616%0.16125%0.25CS..Hα-helixtrans-57.6-28.2178.6-62.80000113.6L115 G116 V117 A129L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-N 3.31Å; L115-S119 PolarHBondContact O-OG 2.91Å; G116-S119 WeakPolarHBondContact O-CB 3.47Å; G116-S119 PolarHBondContact O-N 2.92Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 3.48Å; S119-A129 WeakPolarHBondContact OG-CB 3.32Å
120C92.7Very high90.2Very high115 Ų11545.8 Ų45.878%0.77725%0.25SC*.THydrogen-bonded Turntrans-80.4-11.3177.4-63.60000114.2G116 V117 L118G116-C120 PolarHBondContact O-N 3.46Å; G116-C120 PolarHBondContact O-SG 3.01Å; G116-C120 VanDerWaalsContact O-SG 3.32Å; V117-C120 PolarHBondContact O-N 3.21Å; L118-C120 PolarHBondContact O-N 2.77Å; L118-C120 VanDerWaalsContact O-N 3.11Å
121V92.5Very high90.7Very high91 Ų9147.1 Ų47.155%0.55226%0.257SS*.THydrogen-bonded Turntrans-71.9-54.7-175.4177.60000111.2L118 F125L118-V121 WeakPolarHBondContact O-CB 3.34Å; L118-V121 WeakPolarHBondContact O-CG2 3.3Å; L118-V121 PolarHBondContact O-N 3.3Å; V121-F125 HydrophobicContact CB-CB 4.18Å; V121-F125 HydrophobicContact CB-CD2 3.91Å; V121-F125 HydrophobicContact CB-CG 4.18Å; V121-F125 HydrophobicContact CG1-CD2 3.67Å; V121-F125 HydrophobicContact CG1-CE2 4.03Å; V121-F125 HydrophobicContact CG1-CG 4.42Å
122C90Very high91Very high54 Ų5448.9 Ų48.937%0.36527%0.266SS..  trans-163.4172.9177.475.90000111.3L78 G124 F125 Y126L78-C122 WeakPolarHBondContact CD2-SG 3.37Å; C122-G124 VanDerWaalsContact C-N 3.35Å; C122-G124 PolarHBondContact O-N 3.5Å; C122-F125 PolarHBondContact O-N 3.48Å; C122-F125 VanDerWaalsContact O-N 3.17Å; C122-F125 PolarHBondContact SG-N 3.42Å; C122-Y126 PolarHBondContact O-N 3.14Å
123R90.4Very high91.2Very high135 Ų13548.2 Ų48.251%0.50927%0.265SS..Hα-helixtrans-54.9-44.7178.4-62.2179.5-176.3118.61.2113.1F63 I67 Y126 L127F63-R123 HydrophobicContact CB-CB 4.22Å; F63-R123 HydrophobicContact CB-CG 4.45Å; F63-R123 HydrophobicContact CD1-CG 3.99Å; F63-R123 HydrophobicContact CD2-CB 4.41Å; F63-R123 HydrophobicContact CD2-CG 4.39Å; F63-R123 HydrophobicContact CE1-CG 4.34Å; F63-R123 HydrophobicContact CG-CB 4.19Å; F63-R123 HydrophobicContact CG-CG 4.02Å; I67-R123 HydrophobicContact CD1-CB 3.84Å; I67-R123 HydrophobicContact CG1-CB 4.11Å; R123-Y126 WeakPolarHBondContact O-CB 3.41Å; R123-Y126 PolarHBondContact O-N 3.16Å; R123-L127 PolarHBondContact O-N 3.32Å; R123-L127 VanDerWaalsContact O-N 3.11Å
124G90.8Very high91.5Very high1 Ų141.1 Ų41.11%0.0124%0.239CC..Hα-helixtrans-63.8-40.9177.300000113.9Y77 C122 Y126 L127 L128Y77-G124 WeakPolarHBondContact O-CA 3.29Å; C122-G124 VanDerWaalsContact C-N 3.35Å; C122-G124 PolarHBondContact O-N 3.5Å; G124-Y126 VanDerWaalsContact C-N 3.33Å; G124-L127 PolarHBondContact O-N 3.04Å; G124-L128 PolarHBondContact O-N 3.39Å
125F92.9Very high91.6Very high29 Ų2940 Ų4013%0.12723%0.231CC..Hα-helixtrans-68.1-32.4174.4-88-75.9000112.8L78 I90 L118 V121 C122 L127 L128 A129L78-F125 HydrophobicContact CD1-CE2 4.15Å; L78-F125 HydrophobicContact CD1-CZ 4.36Å; L78-F125 HydrophobicContact CD2-CD2 3.76Å; L78-F125 HydrophobicContact CD2-CE2 4.08Å; L78-F125 HydrophobicContact CD2-CG 4.38Å; I90-F125 HydrophobicContact CD1-CZ 4.12Å; L118-F125 HydrophobicContact CB-CD1 4.24Å; L118-F125 HydrophobicContact CD2-CD1 3.8Å; L118-F125 HydrophobicContact CD2-CE1 3.79Å; L118-F125 WeakPolarHBondContact O-CB 3.21Å; V121-F125 HydrophobicContact CB-CB 4.18Å; V121-F125 HydrophobicContact CB-CD2 3.91Å; V121-F125 HydrophobicContact CB-CG 4.18Å; V121-F125 HydrophobicContact CG1-CD2 3.67Å; V121-F125 HydrophobicContact CG1-CE2 4.03Å; V121-F125 HydrophobicContact CG1-CG 4.42Å; C122-F125 PolarHBondContact O-N 3.48Å; C122-F125 VanDerWaalsContact O-N 3.17Å; C122-F125 PolarHBondContact SG-N 3.42Å; F125-L127 VanDerWaalsContact C-N 3.35Å; F125-L128 HydrophobicContact CD1-CD1 4.27Å; F125-L128 PolarHBondContact O-N 3.1Å; F125-A129 VanDerWaalsContact O-CB 3.23Å; F125-A129 WeakPolarHBondContact O-CB 3.49Å; F125-A129 PolarHBondContact O-N 3.4Å
126Y92.6Very high91.4Very high25 Ų2543 Ų4310%0.09824%0.242CC..Hα-helixtrans-59.3-45.8170.3-176.2-82.5000111.5L59 F63 C122 R123 G124 A129 N130L59-Y126 HydrophobicContact CB-CE1 4.2Å; L59-Y126 WeakPolarHBondContact CB-OH 3.44Å; F63-Y126 AromaticContact CD2-CD1 3.44Å; F63-Y126 HydrophobicContact CD2-CD1 3.44Å; F63-Y126 VanDerWaalsContact CD2-CD1 3.44Å; F63-Y126 HydrophobicContact CD2-CD2 4.34Å; F63-Y126 AromaticContact CD2-CE1 3.97Å; F63-Y126 HydrophobicContact CD2-CE1 3.97Å; F63-Y126 AromaticContact CD2-CG 3.66Å; F63-Y126 HydrophobicContact CD2-CG 3.66Å; F63-Y126 AromaticContact CE2-CD1 3.77Å; F63-Y126 HydrophobicContact CE2-CD1 3.77Å; F63-Y126 AromaticContact CE2-CD2 3.83Å; F63-Y126 HydrophobicContact CE2-CD2 3.83Å; F63-Y126 HydrophobicContact CE2-CE1 4.12Å; F63-Y126 HydrophobicContact CE2-CE2 4.21Å; F63-Y126 AromaticContact CE2-CG 3.61Å; F63-Y126 HydrophobicContact CE2-CG 3.61Å; C122-Y126 PolarHBondContact O-N 3.14Å; R123-Y126 WeakPolarHBondContact O-CB 3.41Å; R123-Y126 PolarHBondContact O-N 3.16Å; G124-Y126 VanDerWaalsContact C-N 3.33Å; Y126-A129 PolarHBondContact O-N 3.32Å; Y126-N130 WeakPolarHBondContact CD1-ND2 3.49Å; Y126-N130 WeakPolarHBondContact CE1-ND2 3.26Å; Y126-N130 WeakPolarHBondContact O-CB 3.46Å; Y126-N130 PolarHBondContact O-N 2.79Å; Y126-N130 PolarHBondContact O-ND2 3.33Å
127L91.7Very high91.2Very high21 Ų2142.6 Ų42.611%0.1123%0.23CC..Hα-helixtrans-64.9-43.2177.4-63.7179.2000112.1C60 F63 I67 Y77 R123 G124 F125 A129 N130 D131C60-L127 HydrophobicContact CB-CD2 4.36Å; C60-L127 WeakPolarHBondContact O-CD2 3.13Å; F63-L127 HydrophobicContact CB-CD2 4.37Å; I67-L127 HydrophobicContact CD1-CD1 3.67Å; Y77-L127 HydrophobicContact CD1-CD1 3.64Å; Y77-L127 HydrophobicContact CE1-CD1 3.76Å; R123-L127 PolarHBondContact O-N 3.32Å; R123-L127 VanDerWaalsContact O-N 3.11Å; G124-L127 PolarHBondContact O-N 3.04Å; F125-L127 VanDerWaalsContact C-N 3.35Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-A129 PolarHBondContact O-N 3.47Å; L127-N130 CarbonylContact O-C 3.55Å; L127-N130 PolarHBondContact O-N 3.4Å; L127-D131 PolarHBondContact O-N 3.46Å; L127-D131 VanDerWaalsContact O-N 3.14Å
128L92.2Very high91.1Very high0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-60-43.4175.2-78.9164.1000112.3L78 F95 L98 L99 I102 G124 F125 N130 D131 I134L78-L128 HydrophobicContact CD1-CD1 4.06Å; F95-L128 HydrophobicContact CD1-CD2 4.45Å; F95-L128 HydrophobicContact CD2-CD2 3.56Å; F95-L128 HydrophobicContact CD2-CG 4.27Å; F95-L128 HydrophobicContact CE1-CD2 4.21Å; F95-L128 HydrophobicContact CE2-CD2 3.25Å; F95-L128 HydrophobicContact CE2-CG 3.69Å; F95-L128 HydrophobicContact CG-CD2 4.16Å; F95-L128 HydrophobicContact CZ-CD2 3.61Å; F95-L128 HydrophobicContact CZ-CG 4.23Å; L98-L128 HydrophobicContact CB-CD1 4.07Å; L98-L128 HydrophobicContact CB-CD2 3.85Å; L98-L128 HydrophobicContact CD1-CD1 3.99Å; L99-L128 HydrophobicContact CD2-CD2 3.84Å; L99-L128 HydrophobicContact CG-CD2 4.03Å; I102-L128 HydrophobicContact CD1-CB 3.59Å; I102-L128 HydrophobicContact CD1-CD1 4.38Å; I102-L128 HydrophobicContact CD1-CD2 4.35Å; I102-L128 HydrophobicContact CD1-CG 4.34Å; G124-L128 PolarHBondContact O-N 3.39Å; F125-L128 HydrophobicContact CD1-CD1 4.27Å; F125-L128 PolarHBondContact O-N 3.1Å; L128-N130 VanDerWaalsContact C-N 3.32Å; L128-N130 PolarHBondContact O-N 3.32Å; L128-D131 VanDerWaalsContact O-CB 3.3Å; L128-D131 WeakPolarHBondContact O-CB 3.46Å; L128-D131 PolarHBondContact O-N 3.36Å; L128-I134 WeakPolarHBondContact O-CD1 3.33Å
129A92.9Very high90.8Very high0 Ų036.8 Ų36.80%020%0.196CC..Hα-helixtrans-73.5-24.5-178.500000113.3L115 L118 S119 F125 Y126 L127 W135L115-A129 HydrophobicContact CB-CB 4.15Å; L115-A129 HydrophobicContact CD2-CB 4Å; L115-A129 WeakPolarHBondContact O-CB 3.07Å; L118-A129 HydrophobicContact CB-CB 4.33Å; S119-A129 WeakPolarHBondContact OG-CB 3.32Å; F125-A129 VanDerWaalsContact O-CB 3.23Å; F125-A129 WeakPolarHBondContact O-CB 3.49Å; F125-A129 PolarHBondContact O-N 3.4Å; Y126-A129 PolarHBondContact O-N 3.32Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-A129 PolarHBondContact O-N 3.47Å; A129-W135 PolarHBondContact O-NE1 3.32Å
130N91Very high90.3Very high23 Ų2338.5 Ų38.512%0.12320%0.201CC..THydrogen-bonded Turntrans-95.311.3174.6-68.9-70.8000112.9Y126 L127 L128 N132 R172Y126-N130 WeakPolarHBondContact CD1-ND2 3.49Å; Y126-N130 WeakPolarHBondContact CE1-ND2 3.26Å; Y126-N130 WeakPolarHBondContact O-CB 3.46Å; Y126-N130 PolarHBondContact O-N 2.79Å; Y126-N130 PolarHBondContact O-ND2 3.33Å; L127-N130 CarbonylContact O-C 3.55Å; L127-N130 PolarHBondContact O-N 3.4Å; L128-N130 VanDerWaalsContact C-N 3.32Å; L128-N130 PolarHBondContact O-N 3.32Å; N130-N132 PolarHBondContact O-N 2.95Å; N130-R172 WeakPolarHBondContact OD1-CD 3.37Å; N130-R172 PolarHBondContact OD1-NE 2.96Å
131D90.7Very high89.9Confident36 Ų3635.9 Ų35.919%0.19318%0.176CC..  trans-61.9128.3178.2-176.885.3000111.6L99 L127 L128 S133 I134 W135L99-D131 HydrophobicContact CD2-CB 3.64Å; L127-D131 PolarHBondContact O-N 3.46Å; L127-D131 VanDerWaalsContact O-N 3.14Å; L128-D131 VanDerWaalsContact O-CB 3.3Å; L128-D131 WeakPolarHBondContact O-CB 3.46Å; L128-D131 PolarHBondContact O-N 3.36Å; D131-S133 PolarHBondContact O-N 3.39Å; D131-S133 VanDerWaalsContact O-N 3.16Å; D131-S133 WeakPolarHBondContact OD2-CA 3.25Å; D131-S133 WeakPolarHBondContact OD2-CB 3.45Å; D131-S133 PolarHBondContact OD2-N 2.81Å; D131-S133 PolarHBondContact OD2-OG 3.42Å; D131-I134 HydrophobicContact CB-CD1 4.28Å; D131-I134 HydrophobicContact CB-CG1 4.48Å; D131-I134 PolarHBondContact O-N 2.93Å; D131-I134 VanDerWaalsContact O-N 3.14Å; D131-W135 VanDerWaalsContact O-CD1 3.28Å; D131-W135 PolarHBondContact O-N 3.49Å
132N89Confident89.5Confident86 Ų8631.8 Ų31.846%0.4615%0.151SC..Hα-helixtrans-61-29.8-173-168.455.9000113.1N130 R136 W171N130-N132 PolarHBondContact O-N 2.95Å; N132-R136 VanDerWaalsContact O-CB 3.29Å; N132-R136 WeakPolarHBondContact O-CB 3.48Å; N132-R136 PolarHBondContact O-N 3.14Å; N132-W171 VanDerWaalsContact OD1-CD1 3.3Å
133S89.5Confident89.2Confident23 Ų2329.5 Ų29.516%0.16114%0.135CC..Hα-helixtrans-67.9-37.718074.80000111.8R103 D131 R136 D137R103-S133 PolarHBondContact NH2-OG 2.81Å; D131-S133 PolarHBondContact O-N 3.39Å; D131-S133 VanDerWaalsContact O-N 3.16Å; D131-S133 WeakPolarHBondContact OD2-CA 3.25Å; D131-S133 WeakPolarHBondContact OD2-CB 3.45Å; D131-S133 PolarHBondContact OD2-N 2.81Å; D131-S133 PolarHBondContact OD2-OG 3.42Å; S133-R136 PolarHBondContact O-N 3.4Å; S133-D137 WeakPolarHBondContact O-CB 3.41Å; S133-D137 PolarHBondContact O-N 3.02Å; S133-D137 VanDerWaalsContact O-OD2 3.14Å
134I91.8Very high88.3Confident1 Ų125.9 Ų25.91%0.00513%0.129CC..Hα-helixtrans-64.3-49.3177.5-66.4174000110.4L99 I102 I106 L115 L128 D131 R136 D137 I138L99-I134 HydrophobicContact CD2-CD1 3.66Å; L99-I134 HydrophobicContact CD2-CG1 4.25Å; I102-I134 HydrophobicContact CB-CD1 4.23Å; I102-I134 HydrophobicContact CG2-CD1 3.68Å; I106-I134 HydrophobicContact CD1-CG2 3.55Å; L115-I134 HydrophobicContact CD1-CG2 3.89Å; L115-I134 HydrophobicContact CD2-CG2 4.28Å; L128-I134 WeakPolarHBondContact O-CD1 3.33Å; D131-I134 HydrophobicContact CB-CD1 4.28Å; D131-I134 HydrophobicContact CB-CG1 4.48Å; D131-I134 PolarHBondContact O-N 2.93Å; D131-I134 VanDerWaalsContact O-N 3.14Å; I134-R136 VanDerWaalsContact C-N 3.31Å; I134-R136 PolarHBondContact O-N 3.23Å; I134-D137 PolarHBondContact O-N 2.84Å; I134-I138 HydrophobicContact CG2-CD1 3.8Å; I134-I138 HydrophobicContact CG2-CG1 4.42Å; I134-I138 VanDerWaalsContact O-CG1 3.26Å; I134-I138 WeakPolarHBondContact O-CG1 3.48Å; I134-I138 PolarHBondContact O-N 3.18Å
135W91.3Very high87.1Confident10 Ų1031.4 Ų31.44%0.03816%0.162CC..Hα-helixtrans-65.3-35.6-178.7-69.8101000112.9I112 L115 A129 D131 I138 C139 W171 R172 A175 I176I112-W135 HydrophobicContact CG2-CH2 3.49Å; I112-W135 VanDerWaalsContact CG2-CH2 3.49Å; I112-W135 HydrophobicContact CG2-CZ2 4.47Å; I112-W135 HydrophobicContact CG2-CZ3 3.65Å; L115-W135 HydrophobicContact CD1-CH2 4.18Å; L115-W135 HydrophobicContact CD1-CZ2 3.77Å; A129-W135 PolarHBondContact O-NE1 3.32Å; D131-W135 VanDerWaalsContact O-CD1 3.28Å; D131-W135 PolarHBondContact O-N 3.49Å; W135-I138 HydrophobicContact CD2-CD1 4.37Å; W135-I138 HydrophobicContact CE3-CD1 4.02Å; W135-I138 HydrophobicContact CZ3-CD1 4.41Å; W135-I138 WeakPolarHBondContact O-CB 3.46Å; W135-I138 PolarHBondContact O-N 2.95Å; W135-C139 PolarHBondContact O-N 3.05Å; W135-C139 PolarHBondContact O-SG 3.49Å; W135-W171 HydrophobicContact CB-CB 3.95Å; W135-R172 HydrophobicContact CB-CB 4.14Å; W135-R172 HydrophobicContact CD2-CB 3.66Å; W135-R172 HydrophobicContact CD2-CG 3.62Å; W135-R172 HydrophobicContact CE3-CB 4.09Å; W135-R172 HydrophobicContact CE3-CG 3.92Å; W135-R172 HydrophobicContact CG-CB 3.66Å; W135-R172 HydrophobicContact CG-CG 4.12Å; W135-R172 HydrophobicContact CH2-CG 4Å; W135-R172 HydrophobicContact CZ2-CG 3.75Å; W135-R172 HydrophobicContact CZ3-CG 4.09Å; W135-A175 HydrophobicContact CE3-CB 3.55Å; W135-A175 HydrophobicContact CZ3-CB 3.82Å; W135-I176 HydrophobicContact CH2-CD1 4.17Å; W135-I176 HydrophobicContact CH2-CG1 4.22Å; W135-I176 HydrophobicContact CZ3-CD1 4.42Å; W135-I176 HydrophobicContact CZ3-CG1 4.07Å
136R87.6Confident85.5Confident67 Ų6733.3 Ų33.325%0.25317%0.168SC..Hα-helixtrans-62.5-48.6172-175.3-164.965.8-131-9.6111.2N132 S133 I134 I138 C139 F140 W171N132-R136 VanDerWaalsContact O-CB 3.29Å; N132-R136 WeakPolarHBondContact O-CB 3.48Å; N132-R136 PolarHBondContact O-N 3.14Å; S133-R136 PolarHBondContact O-N 3.4Å; I134-R136 VanDerWaalsContact C-N 3.31Å; I134-R136 PolarHBondContact O-N 3.23Å; R136-I138 VanDerWaalsContact C-N 3.28Å; R136-I138 PolarHBondContact O-N 3.17Å; R136-C139 WeakPolarHBondContact O-CB 3.47Å; R136-C139 PolarHBondContact O-N 3Å; R136-C139 VanDerWaalsContact O-N 3.15Å; R136-F140 HydrophobicContact CG-CD2 3.85Å; R136-F140 HydrophobicContact CG-CE2 3.47Å; R136-F140 VanDerWaalsContact CG-CE2 3.47Å; R136-F140 WeakPolarHBondContact O-CD2 3.29Å; R136-F140 PolarHBondContact O-N 3.42Å; R136-W171 HydrophobicContact CB-CB 4.43Å; R136-W171 HydrophobicContact CB-CD2 4.07Å; R136-W171 HydrophobicContact CB-CG 3.91Å; R136-W171 HydrophobicContact CG-CD2 4Å; R136-W171 HydrophobicContact CG-CG 4.33Å; R136-W171 HydrophobicContact CG-CZ2 3.98Å
137D87.1Confident83.7Confident31 Ų3132.8 Ų32.817%0.16617%0.167CC..Hα-helixtrans-62.6-37.1179.3-58.7-14.9000111.1R103 S133 I134 F140 K141R103-D137 IonicContact CZ-OD2 3.31Å; R103-D137 VanDerWaalsContact CZ-OD2 3.31Å; R103-D137 IonicContact NE-OD2 3.96Å; R103-D137 PolarHBondContact NE-OD2 3.07Å; R103-D137 IonicContact NH2-OD2 2.79Å; R103-D137 PolarHBondContact NH2-OD2 2.74Å; S133-D137 WeakPolarHBondContact O-CB 3.41Å; S133-D137 PolarHBondContact O-N 3.02Å; S133-D137 VanDerWaalsContact O-OD2 3.14Å; I134-D137 PolarHBondContact O-N 2.84Å; D137-F140 PolarHBondContact O-N 3.33Å; D137-K141 PolarHBondContact O-N 2.99Å
138I89.4Confident81.8Confident0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-57.9-49.7171.4-73.4168.4000111.2I106 L110 I112 L115 I134 W135 R136 F140 K141 L142 A175 L392I106-I138 HydrophobicContact CD1-CD1 4.37Å; L110-I138 HydrophobicContact CD1-CB 4.09Å; L110-I138 HydrophobicContact CD1-CG1 3.77Å; L110-I138 HydrophobicContact CD1-CG2 4.03Å; L110-I138 HydrophobicContact CD2-CG2 4.09Å; L110-I138 HydrophobicContact CG-CG2 4.3Å; I112-I138 HydrophobicContact CD1-CG2 3.76Å; I112-I138 HydrophobicContact CG1-CD1 4.21Å; I112-I138 HydrophobicContact CG1-CG2 4.36Å; L115-I138 HydrophobicContact CD1-CD1 3.8Å; I134-I138 HydrophobicContact CG2-CD1 3.8Å; I134-I138 HydrophobicContact CG2-CG1 4.42Å; I134-I138 VanDerWaalsContact O-CG1 3.26Å; I134-I138 WeakPolarHBondContact O-CG1 3.48Å; I134-I138 PolarHBondContact O-N 3.18Å; W135-I138 HydrophobicContact CD2-CD1 4.37Å; W135-I138 HydrophobicContact CE3-CD1 4.02Å; W135-I138 HydrophobicContact CZ3-CD1 4.41Å; W135-I138 WeakPolarHBondContact O-CB 3.46Å; W135-I138 PolarHBondContact O-N 2.95Å; R136-I138 VanDerWaalsContact C-N 3.28Å; R136-I138 PolarHBondContact O-N 3.17Å; I138-F140 VanDerWaalsContact C-N 3.34Å; I138-F140 PolarHBondContact O-N 2.85Å; I138-K141 PolarHBondContact O-N 3.33Å; I138-L142 HydrophobicContact CG2-CD1 3.87Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 3.33Å; I138-A175 HydrophobicContact CG2-CB 4.02Å; I138-L392 HydrophobicContact CG1-CD1 4.39Å
139C87.6Confident79.9Confident1 Ų146 Ų461%0.00723%0.227CC..Hα-helixtrans-61.9-40.3178-74.20000112.3W135 R136 K141 L142 W143 W171W135-C139 PolarHBondContact O-N 3.05Å; W135-C139 PolarHBondContact O-SG 3.49Å; R136-C139 WeakPolarHBondContact O-CB 3.47Å; R136-C139 PolarHBondContact O-N 3Å; R136-C139 VanDerWaalsContact O-N 3.15Å; C139-K141 VanDerWaalsContact C-N 3.31Å; C139-K141 PolarHBondContact O-N 2.88Å; C139-L142 PolarHBondContact O-N 3.35Å; C139-W143 HydrophobicContact CB-CE3 4.36Å; C139-W143 HydrophobicContact CB-CZ3 4.42Å; C139-W143 PolarHBondContact O-N 3.45Å; C139-W171 HydrophobicContact CB-CE3 3.88Å; C139-W171 HydrophobicContact CB-CZ3 4.18Å; C139-W171 PolarHBondContact SG-O 2.92Å; C139-W171 VanDerWaalsContact SG-O 3.39Å
140F83Confident77.8Confident60 Ų6049 Ų4926%0.26324%0.243SC..Hα-helixtrans-60.5-40.4174.7-81.6-66.7000112.3R136 D137 I138 P144 L147R136-F140 HydrophobicContact CG-CD2 3.85Å; R136-F140 HydrophobicContact CG-CE2 3.47Å; R136-F140 VanDerWaalsContact CG-CE2 3.47Å; R136-F140 WeakPolarHBondContact O-CD2 3.29Å; R136-F140 PolarHBondContact O-N 3.42Å; D137-F140 PolarHBondContact O-N 3.33Å; I138-F140 VanDerWaalsContact C-N 3.34Å; I138-F140 PolarHBondContact O-N 2.85Å; F140-P144 WeakPolarHBondContact O-CA 3.49Å; F140-L147 HydrophobicContact CD1-CB 3.92Å; F140-L147 HydrophobicContact CD1-CD1 3.07Å; F140-L147 HydrophobicContact CD1-CD2 4.29Å; F140-L147 HydrophobicContact CD1-CG 3.85Å; F140-L147 HydrophobicContact CE1-CB 3.67Å; F140-L147 HydrophobicContact CE1-CD1 3.26Å; F140-L147 HydrophobicContact CE1-CD2 3.55Å; F140-L147 HydrophobicContact CE1-CG 3.59Å; F140-L147 HydrophobicContact CG-CD1 3.89Å; F140-L147 HydrophobicContact CZ-CD1 4.19Å; F140-L147 HydrophobicContact CZ-CD2 4.11Å
141K83.4Confident75.8Confident59 Ų5952.3 Ų52.326%0.25726%0.261SS..Hα-helixtrans-69.5-40.1178.4-162.287.7172.2-166.50112.1L110 D137 I138 C139 V221 S390 L392L110-K141 HydrophobicContact CD1-CB 4.28Å; L110-K141 HydrophobicContact CD1-CG 4.44Å; D137-K141 PolarHBondContact O-N 2.99Å; I138-K141 PolarHBondContact O-N 3.33Å; C139-K141 VanDerWaalsContact C-N 3.31Å; C139-K141 PolarHBondContact O-N 2.88Å; K141-V221 HydrophobicContact CG-CG1 4.03Å; K141-S390 PolarHBondContact NZ-O 3.2Å; K141-L392 HydrophobicContact CB-CD2 4.11Å; K141-L392 HydrophobicContact CD-CD2 4.18Å; K141-L392 HydrophobicContact CG-CD2 4.29Å
142L85.2Confident73.7Confident6 Ų657.9 Ų57.93%0.03129%0.29CS..Hα-helixtrans-70.8-36-178.9-76.5170.9000113.1L110 I138 C139 Q180 Y183L110-L142 HydrophobicContact CD2-CD1 3.7Å; L110-L142 HydrophobicContact CD2-CD2 3.27Å; L110-L142 HydrophobicContact CD2-CG 3.33Å; I138-L142 HydrophobicContact CG2-CD1 3.87Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 3.33Å; C139-L142 PolarHBondContact O-N 3.35Å; L142-Q180 VanDerWaalsContact CD1-OE1 3.25Å; L142-Y183 HydrophobicContact CD2-CE2 3.59Å
143W82.9Confident71.7Confident6 Ų661 Ų612%0.02331%0.307CS..  trans-135.766.6-172.7-56.9-67.8000112.4C139 W146 M174 R178 P179 Q180 W287C139-W143 HydrophobicContact CB-CE3 4.36Å; C139-W143 HydrophobicContact CB-CZ3 4.42Å; C139-W143 PolarHBondContact O-N 3.45Å; W143-W146 HydrophobicContact CB-CB 4.45Å; W143-M174 HydrophobicContact CE3-CE 4.11Å; W143-M174 HydrophobicContact CZ3-CE 4.41Å; W143-R178 HydrophobicContact CH2-CB 3.96Å; W143-R178 HydrophobicContact CH2-CG 4.23Å; W143-R178 HydrophobicContact CZ2-CB 4.2Å; W143-R178 HydrophobicContact CZ2-CG 4.06Å; W143-P179 WeakPolarHBondContact CZ2-O 3.42Å; W143-Q180 HydrophobicContact CH2-CB 4.36Å; W143-Q180 HydrophobicContact CZ2-CB 3.76Å; W143-W287 AromaticContact CD1-CD1 3.97Å; W143-W287 AromaticContact CD1-CE2 3.71Å; W143-W287 AromaticContact CD1-NE1 3.48Å; W143-W287 AromaticContact NE1-CE2 3.38Å; W143-W287 AromaticContact NE1-CZ2 3.31Å; W143-W287 VanDerWaalsContact NE1-CZ2 3.31Å; W143-W287 AromaticContact NE1-NE1 3.56Å
144P72.2Confident69.7Low59 Ų5962 Ų6238%0.38331%0.31SS..Hα-helixtrans-68.1-44.6-172.825.2-33.9000113.4F140 W146 L147F140-P144 WeakPolarHBondContact O-CA 3.49Å; P144-W146 PolarHBondContact O-N 3.34Å; P144-W146 VanDerWaalsContact O-N 3.16Å; P144-L147 PolarHBondContact O-N 2.98Å
145V65.3Low67.9Low116 Ų11664.5 Ų64.570%0.70334%0.336SS*.Hα-helixtrans-55.4-37.8-178.3176.30000111L147 T148V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 3.15Å; V145-T148 PolarHBondContact O-N 3.4Å; V145-T148 PolarHBondContact O-OG1 2.6Å
146W58.5Low66.2Low69 Ų6968.6 Ų68.626%0.26137%0.365SS..Hα-helixtrans-70.4-25.9-172.1-176.176.6000113.3W143 P144 Y162W143-W146 HydrophobicContact CB-CB 4.45Å; P144-W146 PolarHBondContact O-N 3.34Å; P144-W146 VanDerWaalsContact O-N 3.16Å; W146-Y162 AromaticContact CD2-CE1 3.99Å; W146-Y162 HydrophobicContact CD2-CE1 3.99Å; W146-Y162 AromaticContact CD2-CE2 3.91Å; W146-Y162 HydrophobicContact CD2-CE2 3.91Å; W146-Y162 AromaticContact CD2-CZ 3.42Å; W146-Y162 VanDerWaalsContact CD2-CZ 3.42Å; W146-Y162 AromaticContact CE2-CD2 3.78Å; W146-Y162 AromaticContact CE2-CE1 3.98Å; W146-Y162 AromaticContact CE2-CE2 3.09Å; W146-Y162 AromaticContact CE2-CZ 3.13Å; W146-Y162 HydrophobicContact CE3-CD1 4.14Å; W146-Y162 AromaticContact CE3-CE1 3.48Å; W146-Y162 HydrophobicContact CE3-CE1 3.48Å; W146-Y162 VanDerWaalsContact CE3-CE1 3.48Å; W146-Y162 HydrophobicContact CE3-CE2 4.18Å; W146-Y162 AromaticContact CE3-CZ 3.44Å; W146-Y162 VanDerWaalsContact CE3-CZ 3.44Å; W146-Y162 AromaticContact CH2-CD1 3.1Å; W146-Y162 HydrophobicContact CH2-CD1 3.1Å; W146-Y162 AromaticContact CH2-CD2 3.05Å; W146-Y162 HydrophobicContact CH2-CD2 3.05Å; W146-Y162 AromaticContact CH2-CE1 3.23Å; W146-Y162 HydrophobicContact CH2-CE1 3.23Å; W146-Y162 AromaticContact CH2-CE2 3.21Å; W146-Y162 HydrophobicContact CH2-CE2 3.21Å; W146-Y162 AromaticContact CH2-CG 2.94Å; W146-Y162 HydrophobicContact CH2-CG 2.94Å; W146-Y162 AromaticContact CH2-CZ 3.23Å; W146-Y162 AromaticContact CZ2-CD1 3.86Å; W146-Y162 HydrophobicContact CZ2-CD1 3.86Å; W146-Y162 AromaticContact CZ2-CD2 2.93Å; W146-Y162 HydrophobicContact CZ2-CD2 2.93Å; W146-Y162 AromaticContact CZ2-CE1 3.72Å; W146-Y162 HydrophobicContact CZ2-CE1 3.72Å; W146-Y162 AromaticContact CZ2-CE2 2.77Å; W146-Y162 HydrophobicContact CZ2-CE2 2.77Å; W146-Y162 AromaticContact CZ2-CG 3.44Å; W146-Y162 HydrophobicContact CZ2-CG 3.44Å; W146-Y162 VanDerWaalsContact CZ2-CG 3.44Å; W146-Y162 AromaticContact CZ2-CZ 3.14Å; W146-Y162 AromaticContact CZ3-CD1 3.19Å; W146-Y162 HydrophobicContact CZ3-CD1 3.19Å; W146-Y162 AromaticContact CZ3-CD2 3.96Å; W146-Y162 HydrophobicContact CZ3-CD2 3.96Å; W146-Y162 AromaticContact CZ3-CE1 3Å; W146-Y162 HydrophobicContact CZ3-CE1 3Å; W146-Y162 AromaticContact CZ3-CE2 3.83Å; W146-Y162 HydrophobicContact CZ3-CE2 3.83Å; W146-Y162 AromaticContact CZ3-CG 3.62Å; W146-Y162 HydrophobicContact CZ3-CG 3.62Å; W146-Y162 AromaticContact CZ3-CZ 3.3Å; W146-Y162 AromaticContact NE1-CE2 3.62Å; W146-Y162 AromaticContact NE1-CZ 3.79Å; W146-Y162 PolarHBondContact NE1-OH 3.43Å
147L55.5Low64.6Low15 Ų1571.5 Ų71.58%0.07939%0.385CS..Hα-helixtrans-90.8-19.2178.8-75.7142.7000113.2F140 P144 V145 N150 N151F140-L147 HydrophobicContact CD1-CB 3.92Å; F140-L147 HydrophobicContact CD1-CD1 3.07Å; F140-L147 HydrophobicContact CD1-CD2 4.29Å; F140-L147 HydrophobicContact CD1-CG 3.85Å; F140-L147 HydrophobicContact CE1-CB 3.67Å; F140-L147 HydrophobicContact CE1-CD1 3.26Å; F140-L147 HydrophobicContact CE1-CD2 3.55Å; F140-L147 HydrophobicContact CE1-CG 3.59Å; F140-L147 HydrophobicContact CG-CD1 3.89Å; F140-L147 HydrophobicContact CZ-CD1 4.19Å; F140-L147 HydrophobicContact CZ-CD2 4.11Å; P144-L147 PolarHBondContact O-N 2.98Å; V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 3.15Å; L147-N150 PolarHBondContact O-N 2.98Å; L147-N151 WeakPolarHBondContact O-CB 3.46Å; L147-N151 PolarHBondContact O-N 3.37Å; L147-N151 VanDerWaalsContact O-N 3.13Å; L147-N151 PolarHBondContact O-ND2 3.01Å
148T52.8Low63.4Low86 Ų8673.3 Ų73.353%0.52840%0.395SS..Hα-helixtrans-67.7-34.1175.461.40000113.2V145 N150 N151V145-T148 PolarHBondContact O-N 3.4Å; V145-T148 PolarHBondContact O-OG1 2.6Å; T148-N150 PolarHBondContact O-N 3.25Å; T148-N151 PolarHBondContact O-N 3.2Å
149Y51.3Low62.3Low213 Ų21376 Ų7684%0.83541%0.408SS*.THydrogen-bonded Turntrans-61.7-28.3178.6-172.9-102.7000112.8
150N48.8Very low61.3Low63 Ų6381.2 Ų81.234%0.33744%0.435SS..THydrogen-bonded Turntrans-99.6-18.8-177.9-120.95000111.5L147 T148 N152 I154L147-N150 PolarHBondContact O-N 2.98Å; T148-N150 PolarHBondContact O-N 3.25Å; N150-N152 VanDerWaalsContact C-N 3.31Å; N150-N152 PolarHBondContact O-N 3.45Å; N150-N152 VanDerWaalsContact O-N 3.08Å; N150-I154 HydrophobicContact CB-CD1 3.29Å; N150-I154 WeakPolarHBondContact O-CD1 3.3Å; N150-I154 WeakPolarHBondContact O-CG1 3.38Å
151N48.5Very low60.6Low92 Ų9281.4 Ų81.449%0.49244%0.444SS..G310 helixtrans-67.7-11.7-168.9-95.1-18.8000117.6L147 T148 N153L147-N151 WeakPolarHBondContact O-CB 3.46Å; L147-N151 PolarHBondContact O-N 3.37Å; L147-N151 VanDerWaalsContact O-N 3.13Å; L147-N151 PolarHBondContact O-ND2 3.01Å; T148-N151 PolarHBondContact O-N 3.2Å; N151-N153 PolarHBondContact O-N 3.43Å
152N48.4Very low59.9Low153 Ų15379 Ų7982%0.81843%0.433SS*.G310 helixtrans-69.8-5.1-176.3-74.6-9.1000114.3N150N150-N152 VanDerWaalsContact C-N 3.31Å; N150-N152 PolarHBondContact O-N 3.45Å; N150-N152 VanDerWaalsContact O-N 3.08Å
153N46.1Very low59.4Low152 Ų15279 Ų7981%0.81343%0.433SS*.G310 helixtrans-171.381.8166.4-103.8-28000111.8N151N151-N153 PolarHBondContact O-N 3.43Å
154I47.9Very low59.1Low44 Ų4482.1 Ų82.123%0.22646%0.456CS..  trans-138.9105-177-67.1-173000113.5N150 N158 Q159N150-I154 HydrophobicContact CB-CD1 3.29Å; N150-I154 WeakPolarHBondContact O-CD1 3.3Å; N150-I154 WeakPolarHBondContact O-CG1 3.38Å; I154-N158 HydrophobicContact CB-CB 4.31Å; I154-N158 HydrophobicContact CD1-CB 3.66Å; I154-N158 HydrophobicContact CG1-CB 3.87Å; I154-N158 WeakPolarHBondContact CG1-ND2 3.33Å; I154-N158 HydrophobicContact CG2-CB 3.57Å; I154-Q159 HydrophobicContact CG2-CG 4.48Å
155G54Low59.3Low53 Ų5383 Ų8355%0.54646%0.463SS..  trans-71174.5155.200000111.9N157 N158G155-N157 PolarHBondContact O-N 3.39Å; G155-N158 PolarHBondContact O-N 3.03Å
156C54Low59.9Low95 Ų9579.6 Ų79.664%0.64244%0.44SS*.Hα-helixtrans-48.9-25.2-175.854.30000116.2N158 Q159C156-N158 PolarHBondContact O-N 3.4Å; C156-Q159 WeakPolarHBondContact O-CB 3.1Å; C156-Q159 PolarHBondContact O-N 3.38Å
157N54.5Low61.1Low128 Ų12882.4 Ų82.468%0.68446%0.46SS*.Hα-helixtrans-65.1-37.8-176.1-66.6-22.6000114G155 Q159 L160 S161G155-N157 PolarHBondContact O-N 3.39Å; N157-Q159 VanDerWaalsContact C-N 3.28Å; N157-Q159 PolarHBondContact O-N 3.25Å; N157-L160 PolarHBondContact O-N 3.42Å; N157-S161 PolarHBondContact O-N 3.41Å
158N61.7Low62.6Low70 Ų7083.8 Ų83.837%0.37447%0.465SS..Hα-helixtrans-82.4-11-177.3-49.2-6.5000112.3I154 G155 C156 S161 Y162I154-N158 HydrophobicContact CB-CB 4.31Å; I154-N158 HydrophobicContact CD1-CB 3.66Å; I154-N158 HydrophobicContact CG1-CB 3.87Å; I154-N158 WeakPolarHBondContact CG1-ND2 3.33Å; I154-N158 HydrophobicContact CG2-CB 3.57Å; G155-N158 PolarHBondContact O-N 3.03Å; C156-N158 PolarHBondContact O-N 3.4Å; N158-S161 VanDerWaalsContact CA-OG 3.27Å; N158-S161 WeakPolarHBondContact CA-OG 3.49Å; N158-S161 PolarHBondContact O-OG 2.87Å; N158-Y162 PolarHBondContact O-N 3.45Å
159Q67.6Low64.1Low57 Ų5784.5 Ų84.527%0.26647%0.47SS..Hα-helixtrans-68.3-43.3169.5-74.1-176.60.800111.2I154 C156 N157 Y162 L163 W171I154-Q159 HydrophobicContact CG2-CG 4.48Å; C156-Q159 WeakPolarHBondContact O-CB 3.1Å; C156-Q159 PolarHBondContact O-N 3.38Å; N157-Q159 VanDerWaalsContact C-N 3.28Å; N157-Q159 PolarHBondContact O-N 3.25Å; Q159-Y162 PolarHBondContact O-N 3.45Å; Q159-L163 PolarHBondContact O-N 3.09Å; Q159-W171 HydrophobicContact CB-CZ2 3.91Å; Q159-W171 HydrophobicContact CG-CZ2 4.23Å
160L66.7Low65.8Low110 Ų11076.1 Ų76.158%0.57644%0.442SS*.Hα-helixtrans-72.9-38.1180-166.268.2000112N157 Y162 L163 S164N157-L160 PolarHBondContact O-N 3.42Å; L160-Y162 PolarHBondContact O-N 2.99Å; L160-L163 HydrophobicContact CD1-CD1 4.43Å; L160-L163 PolarHBondContact O-N 3.44Å; L160-S164 PolarHBondContact O-N 3.22Å; L160-S164 VanDerWaalsContact O-N 3.09Å; L160-S164 PolarHBondContact O-OG 3.5Å; L160-S164 VanDerWaalsContact O-OG 3.14Å
161S67.2Low67.7Low64 Ų6473.6 Ų73.645%0.44843%0.428SS..Hα-helixtrans-59.3-33.1174.870.10000111.8N157 N158 S164 S165N157-S161 PolarHBondContact O-N 3.41Å; N158-S161 VanDerWaalsContact CA-OG 3.27Å; N158-S161 WeakPolarHBondContact CA-OG 3.49Å; N158-S161 PolarHBondContact O-OG 2.87Å; S161-S164 WeakPolarHBondContact O-CB 3.41Å; S161-S165 PolarHBondContact O-N 3.13Å
162Y69.1Low69.7Low9 Ų971.3 Ų71.34%0.03541%0.412CS..Hα-helixtrans-71.7-48.5176.3174.4-108.7000113.5W146 N158 Q159 L160 S164 S165 M166 M174W146-Y162 AromaticContact CD2-CE1 3.99Å; W146-Y162 HydrophobicContact CD2-CE1 3.99Å; W146-Y162 AromaticContact CD2-CE2 3.91Å; W146-Y162 HydrophobicContact CD2-CE2 3.91Å; W146-Y162 AromaticContact CD2-CZ 3.42Å; W146-Y162 VanDerWaalsContact CD2-CZ 3.42Å; W146-Y162 AromaticContact CE2-CD2 3.78Å; W146-Y162 AromaticContact CE2-CE1 3.98Å; W146-Y162 AromaticContact CE2-CE2 3.09Å; W146-Y162 AromaticContact CE2-CZ 3.13Å; W146-Y162 HydrophobicContact CE3-CD1 4.14Å; W146-Y162 AromaticContact CE3-CE1 3.48Å; W146-Y162 HydrophobicContact CE3-CE1 3.48Å; W146-Y162 VanDerWaalsContact CE3-CE1 3.48Å; W146-Y162 HydrophobicContact CE3-CE2 4.18Å; W146-Y162 AromaticContact CE3-CZ 3.44Å; W146-Y162 VanDerWaalsContact CE3-CZ 3.44Å; W146-Y162 AromaticContact CH2-CD1 3.1Å; W146-Y162 HydrophobicContact CH2-CD1 3.1Å; W146-Y162 AromaticContact CH2-CD2 3.05Å; W146-Y162 HydrophobicContact CH2-CD2 3.05Å; W146-Y162 AromaticContact CH2-CE1 3.23Å; W146-Y162 HydrophobicContact CH2-CE1 3.23Å; W146-Y162 AromaticContact CH2-CE2 3.21Å; W146-Y162 HydrophobicContact CH2-CE2 3.21Å; W146-Y162 AromaticContact CH2-CG 2.94Å; W146-Y162 HydrophobicContact CH2-CG 2.94Å; W146-Y162 AromaticContact CH2-CZ 3.23Å; W146-Y162 AromaticContact CZ2-CD1 3.86Å; W146-Y162 HydrophobicContact CZ2-CD1 3.86Å; W146-Y162 AromaticContact CZ2-CD2 2.93Å; W146-Y162 HydrophobicContact CZ2-CD2 2.93Å; W146-Y162 AromaticContact CZ2-CE1 3.72Å; W146-Y162 HydrophobicContact CZ2-CE1 3.72Å; W146-Y162 AromaticContact CZ2-CE2 2.77Å; W146-Y162 HydrophobicContact CZ2-CE2 2.77Å; W146-Y162 AromaticContact CZ2-CG 3.44Å; W146-Y162 HydrophobicContact CZ2-CG 3.44Å; W146-Y162 VanDerWaalsContact CZ2-CG 3.44Å; W146-Y162 AromaticContact CZ2-CZ 3.14Å; W146-Y162 AromaticContact CZ3-CD1 3.19Å; W146-Y162 HydrophobicContact CZ3-CD1 3.19Å; W146-Y162 AromaticContact CZ3-CD2 3.96Å; W146-Y162 HydrophobicContact CZ3-CD2 3.96Å; W146-Y162 AromaticContact CZ3-CE1 3Å; W146-Y162 HydrophobicContact CZ3-CE1 3Å; W146-Y162 AromaticContact CZ3-CE2 3.83Å; W146-Y162 HydrophobicContact CZ3-CE2 3.83Å; W146-Y162 AromaticContact CZ3-CG 3.62Å; W146-Y162 HydrophobicContact CZ3-CG 3.62Å; W146-Y162 AromaticContact CZ3-CZ 3.3Å; W146-Y162 AromaticContact NE1-CE2 3.62Å; W146-Y162 AromaticContact NE1-CZ 3.79Å; W146-Y162 PolarHBondContact NE1-OH 3.43Å; N158-Y162 PolarHBondContact O-N 3.45Å; Q159-Y162 PolarHBondContact O-N 3.45Å; L160-Y162 PolarHBondContact O-N 2.99Å; Y162-S164 PolarHBondContact O-N 3.24Å; Y162-S165 WeakPolarHBondContact CA-OG 3.27Å; Y162-S165 WeakPolarHBondContact CD2-OG 3.27Å; Y162-S165 WeakPolarHBondContact O-CA 3.33Å; Y162-S165 WeakPolarHBondContact O-CB 3.3Å; Y162-S165 PolarHBondContact O-N 3.27Å; Y162-S165 PolarHBondContact O-OG 2.64Å; Y162-M166 HydrophobicContact CD2-CG 4.11Å; Y162-M166 HydrophobicContact CE1-CG 3.92Å; Y162-M166 HydrophobicContact CE2-CE 3.41Å; Y162-M166 VanDerWaalsContact CE2-CE 3.41Å; Y162-M166 HydrophobicContact CE2-CG 3.32Å; Y162-M166 HydrophobicContact CE2-SD 4.2Å; Y162-M166 PolarHBondContact O-N 3.37Å; Y162-M166 WeakPolarHBondContact OH-CG 3.3Å; Y162-M174 HydrophobicContact CE1-CE 3.72Å; Y162-M174 HydrophobicContact CE1-SD 4.04Å
163L75.2Confident71.5Confident4 Ų464.2 Ų64.22%0.02137%0.374CS..Hα-helixtrans-50.1-44.3174.6-76.4173.2000109.6Q159 L160 M166 N167 Y168 W171 M174Q159-L163 PolarHBondContact O-N 3.09Å; L160-L163 HydrophobicContact CD1-CD1 4.43Å; L160-L163 PolarHBondContact O-N 3.44Å; L163-M166 CarbonylContact O-C 3.51Å; L163-M166 PolarHBondContact O-N 3.38Å; L163-N167 PolarHBondContact O-N 2.82Å; L163-N167 VanDerWaalsContact O-N 3.14Å; L163-Y168 CarbonylContact C-O 3.59Å; L163-Y168 WeakPolarHBondContact CB-O 3.42Å; L163-Y168 PolarHBondContact O-N 3.01Å; L163-W171 HydrophobicContact CD1-CD2 4.14Å; L163-W171 HydrophobicContact CD1-CG 4.33Å; L163-W171 HydrophobicContact CD2-CD2 4.26Å; L163-W171 HydrophobicContact CD2-CE3 4.05Å; L163-W171 HydrophobicContact CD2-CZ3 4.39Å; L163-W171 HydrophobicContact CG-CD2 4.48Å; L163-M174 HydrophobicContact CD2-CB 4.12Å; L163-M174 HydrophobicContact CD2-SD 4Å
164S76.8Confident73.5Confident73 Ų7357 Ų5751%0.5134%0.336SS..Hα-helixtrans-62.7-42.4174.9-60.10000113.2L160 S161 Y162 M166 N167L160-S164 PolarHBondContact O-N 3.22Å; L160-S164 VanDerWaalsContact O-N 3.09Å; L160-S164 PolarHBondContact O-OG 3.5Å; L160-S164 VanDerWaalsContact O-OG 3.14Å; S161-S164 WeakPolarHBondContact O-CB 3.41Å; Y162-S164 PolarHBondContact O-N 3.24Å; S164-M166 PolarHBondContact O-N 3.01Å; S164-N167 PolarHBondContact O-N 2.85Å
165S75.8Confident75.5Confident76 Ų7655 Ų5553%0.53133%0.325SS..Hα-helixtrans-61.4-28.6176.576.50000113.5S161 Y162S161-S165 PolarHBondContact O-N 3.13Å; Y162-S165 WeakPolarHBondContact CA-OG 3.27Å; Y162-S165 WeakPolarHBondContact CD2-OG 3.27Å; Y162-S165 WeakPolarHBondContact O-CA 3.33Å; Y162-S165 WeakPolarHBondContact O-CB 3.3Å; Y162-S165 PolarHBondContact O-N 3.27Å; Y162-S165 PolarHBondContact O-OG 2.64Å
166M76.6Confident77.3Confident45 Ų4554.5 Ų54.522%0.22231%0.31CS..THydrogen-bonded Turntrans-95.66.9176.5-69.4-65.7161.100113.2Y162 L163 S164 Y168 H290Y162-M166 HydrophobicContact CD2-CG 4.11Å; Y162-M166 HydrophobicContact CE1-CG 3.92Å; Y162-M166 HydrophobicContact CE2-CE 3.41Å; Y162-M166 VanDerWaalsContact CE2-CE 3.41Å; Y162-M166 HydrophobicContact CE2-CG 3.32Å; Y162-M166 HydrophobicContact CE2-SD 4.2Å; Y162-M166 PolarHBondContact O-N 3.37Å; Y162-M166 WeakPolarHBondContact OH-CG 3.3Å; L163-M166 CarbonylContact O-C 3.51Å; L163-M166 PolarHBondContact O-N 3.38Å; S164-M166 PolarHBondContact O-N 3.01Å; M166-Y168 HydrophobicContact CB-CD2 3.53Å; M166-Y168 HydrophobicContact CB-CE2 3.82Å; M166-Y168 PolarHBondContact O-N 2.65Å; M166-H290 WeakPolarHBondContact CE-CE1 3.23Å
167N85.2Confident79Confident128 Ų12851.2 Ų51.268%0.68428%0.284SS*.THydrogen-bonded Turntrans57.732.5-176.6-56-46.9000114.1L163 S164L163-N167 PolarHBondContact O-N 2.82Å; L163-N167 VanDerWaalsContact O-N 3.14Å; S164-N167 PolarHBondContact O-N 2.85Å
168Y86.1Confident80.7Confident44 Ų4445.8 Ų45.817%0.17325%0.254CS..  trans-105.5146.8170.1-63-63.1000110.7L163 M166 E173 M174 R178L163-Y168 CarbonylContact C-O 3.59Å; L163-Y168 WeakPolarHBondContact CB-O 3.42Å; L163-Y168 PolarHBondContact O-N 3.01Å; M166-Y168 HydrophobicContact CB-CD2 3.53Å; M166-Y168 HydrophobicContact CB-CE2 3.82Å; M166-Y168 PolarHBondContact O-N 2.65Å; Y168-E173 HydrophobicContact CD1-CG 4.03Å; Y168-M174 HydrophobicContact CD1-CB 4.44Å; Y168-M174 HydrophobicContact CD2-CB 3.89Å; Y168-M174 HydrophobicContact CD2-CG 3.79Å; Y168-M174 HydrophobicContact CE2-CB 4.41Å; Y168-M174 HydrophobicContact CE2-CG 4Å; Y168-M174 HydrophobicContact CG-CB 3.93Å; Y168-M174 HydrophobicContact CG-CG 4.34Å; Y168-R178 HydrophobicContact CE2-CB 4.31Å; Y168-R178 HydrophobicContact CE2-CG 4.49Å; Y168-R178 WeakPolarHBondContact OH-CA 3.43Å
169T85Confident82.1Confident102 Ų10243.8 Ų43.863%0.62625%0.245SC*.SBendtrans-98.3-23.4-179.567.30000113.1E173T169-E173 WeakPolarHBondContact CA-OE2 3.34Å; T169-E173 WeakPolarHBondContact CB-OE2 3.41Å; T169-E173 PolarHBondContact N-OE2 3.05Å; T169-E173 PolarHBondContact OG1-OE2 3.24Å
170S86.3Confident83.2Confident37 Ų3741.8 Ų41.826%0.25924%0.235SC..SBendtrans-145.8158.6-179.267.50000112.4R172 E173 M174S170-R172 VanDerWaalsContact C-N 3.25Å; S170-R172 PolarHBondContact O-N 3.41Å; S170-E173 PolarHBondContact O-N 3.1Å; S170-E173 VanDerWaalsContact OG-CB 3.3Å; S170-E173 WeakPolarHBondContact OG-CB 3.21Å; S170-E173 PolarHBondContact OG-N 3.23Å; S170-E173 VanDerWaalsContact OG-N 3.13Å; S170-M174 PolarHBondContact O-N 3.3Å
171W88.5Confident84.4Confident10 Ų1036.5 Ų36.54%0.03821%0.208CC..Hα-helixtrans-60.8-36.7174.5-67.8109000112.6N132 W135 R136 C139 Q159 L163 M174 A175N132-W171 VanDerWaalsContact OD1-CD1 3.3Å; W135-W171 HydrophobicContact CB-CB 3.95Å; R136-W171 HydrophobicContact CB-CB 4.43Å; R136-W171 HydrophobicContact CB-CD2 4.07Å; R136-W171 HydrophobicContact CB-CG 3.91Å; R136-W171 HydrophobicContact CG-CD2 4Å; R136-W171 HydrophobicContact CG-CG 4.33Å; R136-W171 HydrophobicContact CG-CZ2 3.98Å; C139-W171 HydrophobicContact CB-CE3 3.88Å; C139-W171 HydrophobicContact CB-CZ3 4.18Å; C139-W171 PolarHBondContact SG-O 2.92Å; C139-W171 VanDerWaalsContact SG-O 3.39Å; Q159-W171 HydrophobicContact CB-CZ2 3.91Å; Q159-W171 HydrophobicContact CG-CZ2 4.23Å; L163-W171 HydrophobicContact CD1-CD2 4.14Å; L163-W171 HydrophobicContact CD1-CG 4.33Å; L163-W171 HydrophobicContact CD2-CD2 4.26Å; L163-W171 HydrophobicContact CD2-CE3 4.05Å; L163-W171 HydrophobicContact CD2-CZ3 4.39Å; L163-W171 HydrophobicContact CG-CD2 4.48Å; W171-M174 HydrophobicContact CE3-SD 4.23Å; W171-M174 HydrophobicContact CZ3-SD 4.2Å; W171-M174 PolarHBondContact O-N 3.4Å; W171-A175 WeakPolarHBondContact O-CB 3.43Å; W171-A175 PolarHBondContact O-N 2.79Å
172R90.2Very high85.5Confident44 Ų4434.7 Ų34.717%0.16619%0.193CC..Hα-helixtrans-63.6-46.7176.5179.5175.5-178.9-70.17111.8E56 N130 W135 S170 M174 A175 I176E56-R172 IonicContact OE1-CZ 3.65Å; E56-R172 IonicContact OE1-NH1 3.54Å; E56-R172 PolarHBondContact OE1-NH1 3.42Å; E56-R172 IonicContact OE1-NH2 3.51Å; E56-R172 PolarHBondContact OE1-NH2 3.24Å; E56-R172 IonicContact OE2-CZ 2.92Å; E56-R172 IonicContact OE2-NH1 3.32Å; E56-R172 PolarHBondContact OE2-NH1 3.33Å; E56-R172 IonicContact OE2-NH2 3.74Å; N130-R172 WeakPolarHBondContact OD1-CD 3.37Å; N130-R172 PolarHBondContact OD1-NE 2.96Å; W135-R172 HydrophobicContact CB-CB 4.14Å; W135-R172 HydrophobicContact CD2-CB 3.66Å; W135-R172 HydrophobicContact CD2-CG 3.62Å; W135-R172 HydrophobicContact CE3-CB 4.09Å; W135-R172 HydrophobicContact CE3-CG 3.92Å; W135-R172 HydrophobicContact CG-CB 3.66Å; W135-R172 HydrophobicContact CG-CG 4.12Å; W135-R172 HydrophobicContact CH2-CG 4Å; W135-R172 HydrophobicContact CZ2-CG 3.75Å; W135-R172 HydrophobicContact CZ3-CG 4.09Å; S170-R172 VanDerWaalsContact C-N 3.25Å; S170-R172 PolarHBondContact O-N 3.41Å; R172-M174 VanDerWaalsContact C-N 3.31Å; R172-M174 PolarHBondContact O-N 3.02Å; R172-A175 PolarHBondContact O-N 2.68Å; R172-I176 HydrophobicContact CG-CD1 3.79Å; R172-I176 VanDerWaalsContact NH1-CD1 3.27Å; R172-I176 WeakPolarHBondContact O-CG1 3.41Å; R172-I176 PolarHBondContact O-N 2.61Å
173E87.9Confident86.4Confident3 Ų334.8 Ų34.81%0.01419%0.193CC..Hα-helixtrans-58.8-45.8176.3-173.1-176.7-168.700110.9Y168 T169 S170 A175 I176 Y177Y168-E173 HydrophobicContact CD1-CG 4.03Å; T169-E173 WeakPolarHBondContact CA-OE2 3.34Å; T169-E173 WeakPolarHBondContact CB-OE2 3.41Å; T169-E173 PolarHBondContact N-OE2 3.05Å; T169-E173 PolarHBondContact OG1-OE2 3.24Å; S170-E173 PolarHBondContact O-N 3.1Å; S170-E173 VanDerWaalsContact OG-CB 3.3Å; S170-E173 WeakPolarHBondContact OG-CB 3.21Å; S170-E173 PolarHBondContact OG-N 3.23Å; S170-E173 VanDerWaalsContact OG-N 3.13Å; E173-A175 PolarHBondContact O-N 3.29Å; E173-I176 PolarHBondContact O-N 3.38Å; E173-Y177 HydrophobicContact CB-CD2 4.41Å; E173-Y177 HydrophobicContact CG-CD2 3.54Å; E173-Y177 HydrophobicContact CG-CE2 3.92Å; E173-Y177 VanDerWaalsContact O-CD2 3.28Å; E173-Y177 WeakPolarHBondContact O-CD2 3.4Å; E173-Y177 PolarHBondContact O-N 2.93Å
174M88.2Confident86.8Confident2 Ų237.5 Ų37.51%0.0121%0.206CC..Hα-helixtrans-59.3-48.5174.9-176.8-175.9174.200111.5W143 Y162 L163 Y168 S170 W171 R172 I176 R178W143-M174 HydrophobicContact CE3-CE 4.11Å; W143-M174 HydrophobicContact CZ3-CE 4.41Å; Y162-M174 HydrophobicContact CE1-CE 3.72Å; Y162-M174 HydrophobicContact CE1-SD 4.04Å; L163-M174 HydrophobicContact CD2-CB 4.12Å; L163-M174 HydrophobicContact CD2-SD 4Å; Y168-M174 HydrophobicContact CD1-CB 4.44Å; Y168-M174 HydrophobicContact CD2-CB 3.89Å; Y168-M174 HydrophobicContact CD2-CG 3.79Å; Y168-M174 HydrophobicContact CE2-CB 4.41Å; Y168-M174 HydrophobicContact CE2-CG 4Å; Y168-M174 HydrophobicContact CG-CB 3.93Å; Y168-M174 HydrophobicContact CG-CG 4.34Å; S170-M174 PolarHBondContact O-N 3.3Å; W171-M174 HydrophobicContact CE3-SD 4.23Å; W171-M174 HydrophobicContact CZ3-SD 4.2Å; W171-M174 PolarHBondContact O-N 3.4Å; R172-M174 VanDerWaalsContact C-N 3.31Å; R172-M174 PolarHBondContact O-N 3.02Å; M174-I176 PolarHBondContact O-N 3.31Å; M174-R178 VanDerWaalsContact CE-CD 3.48Å; M174-R178 HydrophobicContact CG-CB 4.27Å; M174-R178 WeakPolarHBondContact O-CB 3.25Å; M174-R178 PolarHBondContact O-N 3.44Å
175A89.7Confident87.5Confident0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-61.3-31.3179.900000113.4W135 I138 W171 R172 E173 Q180W135-A175 HydrophobicContact CE3-CB 3.55Å; W135-A175 HydrophobicContact CZ3-CB 3.82Å; I138-A175 HydrophobicContact CG2-CB 4.02Å; W171-A175 WeakPolarHBondContact O-CB 3.43Å; W171-A175 PolarHBondContact O-N 2.79Å; R172-A175 PolarHBondContact O-N 2.68Å; E173-A175 PolarHBondContact O-N 3.29Å; A175-Q180 PolarHBondContact O-NE2 2.94Å
176I90Very high88.3Confident44 Ų4430.4 Ų30.423%0.22616%0.156CC..Hα-helixtrans-86.1-46.9-178.2-68.6170.3000111.8W135 R172 E173 M174 L339 H340W135-I176 HydrophobicContact CH2-CD1 4.17Å; W135-I176 HydrophobicContact CH2-CG1 4.22Å; W135-I176 HydrophobicContact CZ3-CD1 4.42Å; W135-I176 HydrophobicContact CZ3-CG1 4.07Å; R172-I176 HydrophobicContact CG-CD1 3.79Å; R172-I176 VanDerWaalsContact NH1-CD1 3.27Å; R172-I176 WeakPolarHBondContact O-CG1 3.41Å; R172-I176 PolarHBondContact O-N 2.61Å; E173-I176 PolarHBondContact O-N 3.38Å; M174-I176 PolarHBondContact O-N 3.31Å; I176-L339 HydrophobicContact CG2-CD1 3.95Å; I176-L339 WeakPolarHBondContact O-CD1 3.25Å; I176-H340 PolarHBondContact O-CE1 2.75Å
177Y90.4Very high89.3Confident25 Ų2528.3 Ų28.310%0.09815%0.146CC..Hα-helixtrans-97.3-27-168.4-64.8-68.1000113.9L49 E173 L339 H340L49-Y177 HydrophobicContact CB-CD1 4.05Å; L49-Y177 HydrophobicContact CB-CE1 3.75Å; L49-Y177 PolarHBondContact O-OH 3.29Å; E173-Y177 HydrophobicContact CB-CD2 4.41Å; E173-Y177 HydrophobicContact CG-CD2 3.54Å; E173-Y177 HydrophobicContact CG-CE2 3.92Å; E173-Y177 VanDerWaalsContact O-CD2 3.28Å; E173-Y177 WeakPolarHBondContact O-CD2 3.4Å; E173-Y177 PolarHBondContact O-N 2.93Å; Y177-L339 HydrophobicContact CD1-CD1 3.81Å; Y177-L339 HydrophobicContact CE1-CD1 4.1Å; Y177-H340 PolarHBondContact O-NE2 3.47Å
178R90Very high89.8Confident14 Ų1423.2 Ų23.25%0.05312%0.119CC..SBendtrans-61.6131.2175.8-168.5179.4-174.6-72.39.4108.9W143 Y168 M174 Q180 H340W143-R178 HydrophobicContact CH2-CB 3.96Å; W143-R178 HydrophobicContact CH2-CG 4.23Å; W143-R178 HydrophobicContact CZ2-CB 4.2Å; W143-R178 HydrophobicContact CZ2-CG 4.06Å; Y168-R178 HydrophobicContact CE2-CB 4.31Å; Y168-R178 HydrophobicContact CE2-CG 4.49Å; Y168-R178 WeakPolarHBondContact OH-CA 3.43Å; M174-R178 VanDerWaalsContact CE-CD 3.48Å; M174-R178 HydrophobicContact CG-CB 4.27Å; M174-R178 WeakPolarHBondContact O-CB 3.25Å; M174-R178 PolarHBondContact O-N 3.44Å; R178-Q180 PolarHBondContact O-N 2.75Å; R178-H340 PolarHBondContact O-CE1 2.75Å; R178-H340 PolarHBondContact O-NE2 2.95Å
179P91.2Very high90.3Very high29 Ų2921.4 Ų21.419%0.18811%0.112CC..  trans-51.6131.8177.3-26.634.5000111.5W143 W287 H290 D291 I332W143-P179 WeakPolarHBondContact CZ2-O 3.42Å; P179-W287 WeakPolarHBondContact O-CH2 3.38Å; P179-H290 WeakPolarHBondContact CB-O 2.82Å; P179-D291 HydrophobicContact CB-CB 4.15Å; P179-D291 HydrophobicContact CG-CB 3.85Å; P179-I332 HydrophobicContact CB-CB 4.19Å; P179-I332 HydrophobicContact CB-CD1 4.26Å; P179-I332 HydrophobicContact CB-CG2 4.15Å
180Q90.5Very high90.8Very high14 Ų1422.5 Ų22.57%0.06511%0.105CC..  trans-144.5154.5178.980.3-164.9-68.900110.7L142 W143 A175 R178 L182 H340L142-Q180 VanDerWaalsContact CD1-OE1 3.25Å; W143-Q180 HydrophobicContact CH2-CB 4.36Å; W143-Q180 HydrophobicContact CZ2-CB 3.76Å; A175-Q180 PolarHBondContact O-NE2 2.94Å; R178-Q180 PolarHBondContact O-N 2.75Å; Q180-L182 HydrophobicContact CG-CD2 4.45Å; Q180-H340 VanDerWaalsContact O-CB 3.24Å; Q180-H340 WeakPolarHBondContact O-CB 3.49Å
181V91.8Very high91.2Very high0 Ų020.7 Ų20.70%09%0.093CC..  trans-81.3144.4167.6-63.50000109.7Y183 F219 Y285 I293 I332V181-Y183 HydrophobicContact CG2-CD1 4.35Å; V181-Y183 HydrophobicContact CG2-CE1 3.51Å; V181-Y183 HydrophobicContact CG2-CE2 4.19Å; V181-Y183 VanDerWaalsContact CG2-CZ 3.42Å; V181-Y183 WeakPolarHBondContact CG2-OH 3.27Å; V181-Y183 WeakPolarHBondContact O-CD2 3.05Å; V181-Y183 WeakPolarHBondContact O-CE2 3.39Å; V181-F219 HydrophobicContact CB-CB 4.34Å; V181-F219 HydrophobicContact CB-CD1 4.24Å; V181-F219 HydrophobicContact CB-CD2 3.89Å; V181-F219 HydrophobicContact CB-CE2 4.29Å; V181-F219 HydrophobicContact CB-CG 3.88Å; V181-F219 HydrophobicContact CG1-CD1 4.1Å; V181-F219 HydrophobicContact CG1-CD2 4.12Å; V181-F219 HydrophobicContact CG1-CE1 4Å; V181-F219 HydrophobicContact CG1-CE2 4.05Å; V181-F219 HydrophobicContact CG1-CG 4.17Å; V181-F219 HydrophobicContact CG1-CZ 3.99Å; V181-F219 HydrophobicContact CG2-CB 3.92Å; V181-F219 HydrophobicContact CG2-CD1 4.04Å; V181-F219 HydrophobicContact CG2-CD2 4.35Å; V181-F219 HydrophobicContact CG2-CG 3.83Å; V181-Y285 HydrophobicContact CG2-CE2 4.35Å; V181-I293 HydrophobicContact CG1-CD1 3.42Å; V181-I293 VanDerWaalsContact CG1-CD1 3.42Å; V181-I293 HydrophobicContact CG1-CG2 4.44Å; V181-I332 HydrophobicContact CG1-CD1 4.12Å
182L90.5Very high91.5Very high26 Ų2622.4 Ų22.414%0.13610%0.104CC..  trans-93.6130.3179.7-61.9176.4000110.9Q180 Y187 F377Q180-L182 HydrophobicContact CG-CD2 4.45Å; L182-Y187 HydrophobicContact CB-CE2 4.5Å; L182-Y187 PolarHBondContact N-OH 3.36Å; L182-F377 HydrophobicContact CB-CD1 4.49Å; L182-F377 HydrophobicContact CB-CD2 3.57Å; L182-F377 HydrophobicContact CB-CE1 4.27Å; L182-F377 HydrophobicContact CB-CE2 3.26Å; L182-F377 HydrophobicContact CB-CG 4.16Å; L182-F377 HydrophobicContact CB-CZ 3.63Å; L182-F377 HydrophobicContact CD1-CB 4.11Å; L182-F377 HydrophobicContact CD1-CD1 3.63Å; L182-F377 HydrophobicContact CD1-CD2 3.87Å; L182-F377 HydrophobicContact CD1-CE1 3.97Å; L182-F377 HydrophobicContact CD1-CE2 4.17Å; L182-F377 HydrophobicContact CD1-CG 3.56Å; L182-F377 HydrophobicContact CD1-CZ 4.19Å; L182-F377 HydrophobicContact CG-CD2 4.32Å; L182-F377 HydrophobicContact CG-CE2 4.36Å; L182-F377 HydrophobicContact CG-CG 4.49Å
183Y87.9Confident91.6Very high11 Ų1123.7 Ų23.74%0.04311%0.109CC..  trans-101.3-20.2-171.8-53.7-79.1000114.2L142 V181 G185 F219 V221 Y285L142-Y183 HydrophobicContact CD2-CE2 3.59Å; V181-Y183 HydrophobicContact CG2-CD1 4.35Å; V181-Y183 HydrophobicContact CG2-CE1 3.51Å; V181-Y183 HydrophobicContact CG2-CE2 4.19Å; V181-Y183 VanDerWaalsContact CG2-CZ 3.42Å; V181-Y183 WeakPolarHBondContact CG2-OH 3.27Å; V181-Y183 WeakPolarHBondContact O-CD2 3.05Å; V181-Y183 WeakPolarHBondContact O-CE2 3.39Å; Y183-G185 PolarHBondContact O-N 3.06Å; Y183-F219 HydrophobicContact CD1-CB 3.92Å; Y183-F219 HydrophobicContact CE1-CB 3.94Å; Y183-V221 HydrophobicContact CD1-CB 4.23Å; Y183-V221 HydrophobicContact CD1-CG2 3.22Å; Y183-V221 HydrophobicContact CD2-CG2 3.39Å; Y183-V221 HydrophobicContact CE1-CB 4.11Å; Y183-V221 HydrophobicContact CE1-CG2 3.4Å; Y183-V221 VanDerWaalsContact CE1-CG2 3.4Å; Y183-V221 HydrophobicContact CE2-CG2 3.6Å; Y183-V221 HydrophobicContact CG-CG2 3.18Å; Y183-Y285 WeakPolarHBondContact CE1-OH 3.49Å; Y183-Y285 PolarHBondContact OH-OH 2.84Å
184H85.3Confident91.9Very high61 Ų6128 Ų2828%0.28214%0.136SC..SBendtrans-82.932.6-178.358.166.1000113F377 R379 V380H184-F377 AromaticContact CE1-CE1 3.21Å; H184-F377 WeakPolarHBondContact CE1-CE1 3.45Å; H184-F377 AromaticContact CE1-CZ 3.34Å; H184-F377 WeakPolarHBondContact CE1-CZ 3.46Å; H184-F377 AromaticContact ND1-CE1 3.41Å; H184-F377 WeakPolarHBondContact ND1-CE1 3.4Å; H184-F377 AromaticContact ND1-CZ 3.23Å; H184-F377 WeakPolarHBondContact ND1-CZ 3.4Å; H184-R379 PolarHBondContact ND1-NH1 3.5Å; H184-V380 PolarHBondContact O-N 3.18Å
185G90.5Very high92Very high0 Ų034.2 Ų34.20%016%0.159CC..EExtended strand (participates in β ladder)trans173.7-166.8-169.400000111.8Y183 V378 F383Y183-G185 PolarHBondContact O-N 3.06Å; G185-V378 VanDerWaalsContact CA-O 3.27Å; G185-V378 WeakPolarHBondContact CA-O 3.45Å; G185-F383 VanDerWaalsContact CA-CE2 3.48Å; G185-F383 WeakPolarHBondContact O-CE2 3.37Å
186C93.4Very high92.1Very high0 Ų039.9 Ų39.90%019%0.194CC..EExtended strand (participates in β ladder)trans-140152.9176.560.20000109.5I217 R218 L242 V378 F383C186-I217 CarbonylContact C-O 3.47Å; C186-I217 VanDerWaalsContact CA-O 3.25Å; C186-I217 WeakPolarHBondContact CA-O 2.97Å; C186-I217 VanDerWaalsContact CB-O 3.27Å; C186-I217 WeakPolarHBondContact CB-O 3.28Å; C186-R218 HydrophobicContact CB-CB 4.3Å; C186-L242 HydrophobicContact CB-CD1 4.11Å; C186-V378 PolarHBondContact N-O 3.5Å; C186-V378 PolarHBondContact O-N 3.31Å; C186-F383 HydrophobicContact CB-CE2 4.34Å; C186-F383 HydrophobicContact CB-CZ 4.3Å
187Y96.6Very high92Very high0 Ų038.5 Ų38.50%019%0.19CC..EExtended strand (participates in β ladder)trans-87131.5171.9-63.1-97.5000109.1L182 G216 I217 F219 H340 L343 R376 F377L182-Y187 HydrophobicContact CB-CE2 4.5Å; L182-Y187 PolarHBondContact N-OH 3.36Å; Y187-G216 CarbonylContact O-C 3.57Å; Y187-G216 VanDerWaalsContact O-CA 3.28Å; Y187-G216 WeakPolarHBondContact O-CA 3.48Å; Y187-I217 PolarHBondContact N-O 2.94Å; Y187-I217 PolarHBondContact O-N 3.35Å; Y187-F219 HydrophobicContact CD2-CD2 4.1Å; Y187-F219 AromaticContact CD2-CE2 3.87Å; Y187-F219 HydrophobicContact CD2-CE2 3.87Å; Y187-F219 AromaticContact CE2-CD2 3.96Å; Y187-F219 HydrophobicContact CE2-CD2 3.96Å; Y187-F219 AromaticContact CE2-CE2 3.92Å; Y187-F219 HydrophobicContact CE2-CE2 3.92Å; Y187-H340 PolarHBondContact OH-O 3.05Å; Y187-L343 HydrophobicContact CD1-CB 4.47Å; Y187-L343 HydrophobicContact CD1-CD1 3.82Å; Y187-L343 HydrophobicContact CD1-CG 3.58Å; Y187-L343 HydrophobicContact CD2-CD1 3.67Å; Y187-L343 HydrophobicContact CD2-CG 4.23Å; Y187-L343 HydrophobicContact CE1-CD1 4.25Å; Y187-L343 HydrophobicContact CE1-CD2 4.19Å; Y187-L343 HydrophobicContact CE1-CG 3.73Å; Y187-L343 HydrophobicContact CE2-CD1 4.14Å; Y187-L343 HydrophobicContact CE2-CG 4.39Å; Y187-L343 HydrophobicContact CG-CD1 3.49Å; Y187-L343 VanDerWaalsContact CG-CD1 3.49Å; Y187-L343 HydrophobicContact CG-CG 3.83Å; Y187-R376 CarbonylContact C-O 3.53Å; Y187-R376 VanDerWaalsContact CA-O 3.31Å; Y187-R376 WeakPolarHBondContact CA-O 3.31Å; Y187-F377 HydrophobicContact CD1-CB 3.84Å; Y187-F377 HydrophobicContact CD1-CD2 4.27Å; Y187-F377 HydrophobicContact CD2-CD2 4.07Å; Y187-F377 HydrophobicContact CE1-CB 3.69Å; Y187-F377 HydrophobicContact CE1-CD2 4.04Å; Y187-F377 HydrophobicContact CE1-CG 4.33Å; Y187-F377 AromaticContact CE2-CD2 3.81Å; Y187-F377 HydrophobicContact CE2-CD2 3.81Å; Y187-F377 HydrophobicContact CE2-CE2 4.44Å; Y187-F377 HydrophobicContact CG-CD2 4.3Å; Y187-F377 AromaticContact CZ-CD2 3.8Å
188L96.2Very high91.8Very high22 Ų2246 Ų4612%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-121.7134-179.5-71168.6000109.8R215 P235 I238 V239 C375 R376 V378L188-R215 CarbonylContact C-O 3.52Å; L188-R215 WeakPolarHBondContact CA-O 3.33Å; L188-P235 HydrophobicContact CD1-CB 4.3Å; L188-I238 HydrophobicContact CD2-CG2 3.89Å; L188-V239 HydrophobicContact CD1-CG2 4.31Å; L188-C375 CarbonylContact O-C 3.47Å; L188-C375 WeakPolarHBondContact O-CA 3.43Å; L188-R376 PolarHBondContact N-O 3Å; L188-R376 PolarHBondContact O-N 3.47Å; L188-V378 HydrophobicContact CB-CG2 4.33Å; L188-V378 HydrophobicContact CD1-CB 3.92Å; L188-V378 HydrophobicContact CD1-CG1 4.31Å; L188-V378 HydrophobicContact CD1-CG2 3.79Å; L188-V378 HydrophobicContact CG-CG2 4.41Å
189C95.9Very high91.5Very high6 Ų649 Ų494%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-122.1144163.265.40000110.7Y214 R215 P373 C375C189-Y214 CarbonylContact O-C 3.57Å; C189-Y214 VanDerWaalsContact O-CA 3.27Å; C189-Y214 WeakPolarHBondContact O-CA 3.48Å; C189-R215 PolarHBondContact N-O 3.42Å; C189-R215 PolarHBondContact O-N 3.22Å; C189-P373 HydrophobicContact CB-CG 4.26Å; C189-C375 HydrophobicContact CB-CB 4.18Å; C189-C375 VanDerWaalsContact CB-SG 3.58Å; C189-C375 PolarHBondContact SG-SG 2.87Å
190R95.5Very high91.1Very high124 Ų12455 Ų5547%0.46827%0.274SS..EExtended strand (participates in β ladder)trans-100126.1169.2178.1-178.8168.4125-11.1107.3T192 V212 Y214 P373R190-T192 PolarHBondContact NE-OG1 2.94Å; R190-V212 HydrophobicContact CG-CG1 4.07Å; R190-V212 VanDerWaalsContact CZ-CG1 3.48Å; R190-Y214 HydrophobicContact CB-CD1 3.77Å; R190-Y214 HydrophobicContact CB-CE1 3.64Å; R190-Y214 HydrophobicContact CG-CD1 4.07Å; R190-Y214 HydrophobicContact CG-CE1 3.63Å; R190-Y214 PolarHBondContact NH1-OH 3.33Å; R190-P373 VanDerWaalsContact O-CG 3.26Å; R190-P373 WeakPolarHBondContact O-CG 3.21Å
191V95.9Very high90.7Very high0 Ų063.1 Ų63.10%032%0.315CS..EExtended strand (participates in β ladder)trans-107134.4173.1-171.50000107.7V212 Y213 R215 Q370 P373V191-V212 WeakPolarHBondContact O-CA 3.35Å; V191-Y213 HydrophobicContact CB-CD1 4.04Å; V191-Y213 HydrophobicContact CB-CD2 4.12Å; V191-Y213 HydrophobicContact CB-CE1 3.58Å; V191-Y213 HydrophobicContact CB-CE2 3.7Å; V191-Y213 HydrophobicContact CB-CG 4.3Å; V191-Y213 VanDerWaalsContact CB-CZ 3.43Å; V191-Y213 HydrophobicContact CG1-CD1 4.38Å; V191-Y213 HydrophobicContact CG1-CE1 3.53Å; V191-Y213 HydrophobicContact CG1-CE2 4.24Å; V191-Y213 VanDerWaalsContact CG1-CZ 3.48Å; V191-Y213 WeakPolarHBondContact CG1-OH 3.46Å; V191-Y213 HydrophobicContact CG2-CD2 4.22Å; V191-Y213 HydrophobicContact CG2-CE1 4.37Å; V191-Y213 HydrophobicContact CG2-CE2 3.6Å; V191-Y213 PolarHBondContact N-O 2.75Å; V191-Y213 PolarHBondContact O-N 3.47Å; V191-Y213 VanDerWaalsContact O-N 3.1Å; V191-R215 VanDerWaalsContact CG2-NH1 3.35Å; V191-Q370 WeakPolarHBondContact CG1-O 3.42Å; V191-P373 HydrophobicContact CG2-CG 4.19Å
192T94Very high90.2Very high46 Ų4667.3 Ų67.328%0.28236%0.359SS..EExtended strand (participates in β ladder)trans-138.1121.8178-61.20000108.2R190 K210 V211 V212R190-T192 PolarHBondContact NE-OG1 2.94Å; T192-K210 HydrophobicContact CG2-CD 4.28Å; T192-K210 HydrophobicContact CG2-CG 3.81Å; T192-V211 VanDerWaalsContact CA-O 3.32Å; T192-V211 WeakPolarHBondContact CA-O 3.37Å; T192-V212 HydrophobicContact CG2-CG2 4.03Å
193Y92.9Very high89.8Confident70 Ų7068.6 Ų68.628%0.27537%0.37SS..EExtended strand (participates in β ladder)trans-140.7161.4177.871.3-79.9000109.7R195 V211 Y213Y193-R195 HydrophobicContact CE2-CB 4.24Å; Y193-V211 HydrophobicContact CD1-CB 3.94Å; Y193-V211 HydrophobicContact CD1-CG1 4.25Å; Y193-V211 HydrophobicContact CD2-CB 4.49Å; Y193-V211 HydrophobicContact CE1-CB 3.5Å; Y193-V211 HydrophobicContact CE1-CG1 3.42Å; Y193-V211 VanDerWaalsContact CE1-CG1 3.42Å; Y193-V211 HydrophobicContact CE1-CG2 4.29Å; Y193-V211 HydrophobicContact CE2-CB 4.14Å; Y193-V211 HydrophobicContact CE2-CG2 4.1Å; Y193-V211 HydrophobicContact CG-CB 4.42Å; Y193-V211 PolarHBondContact N-O 3.19Å; Y193-V211 PolarHBondContact O-N 3.23Å; Y193-Y213 HydrophobicContact CD1-CD1 4.44Å; Y193-Y213 AromaticContact CD1-CE1 3.89Å; Y193-Y213 HydrophobicContact CD1-CE1 3.89Å; Y193-Y213 AromaticContact CE1-CD1 3.96Å; Y193-Y213 HydrophobicContact CE1-CD1 3.96Å; Y193-Y213 AromaticContact CE1-CE1 3.54Å; Y193-Y213 HydrophobicContact CE1-CE1 3.54Å
194V92.9Very high89.6Confident94 Ų9473.9 Ų73.957%0.5741%0.409SS*.EExtended strand (participates in β ladder)trans-103.7125.3-178.1176.30000107.8V208 F209V194-V208 HydrophobicContact CB-CG1 4.48Å; V194-V208 HydrophobicContact CG1-CB 4.5Å; V194-V208 HydrophobicContact CG1-CG1 3.03Å; V194-F209 WeakPolarHBondContact CA-O 3.36Å
195R90.6Very high89.7Confident132 Ų13278.4 Ų78.450%0.49842%0.424SS..EExtended strand (participates in β ladder)trans-110.2139.9170.875.4175.7-174.8-1625.7109.6Y193 F209 V211Y193-R195 HydrophobicContact CE2-CB 4.24Å; R195-F209 HydrophobicContact CG-CB 3.74Å; R195-F209 HydrophobicContact CG-CD2 4.21Å; R195-F209 HydrophobicContact CG-CG 4.46Å; R195-F209 PolarHBondContact N-O 3.08Å; R195-F209 PolarHBondContact O-N 3.33Å; R195-V211 HydrophobicContact CB-CG2 4.18Å; R195-V211 HydrophobicContact CG-CG2 3.64Å
196T92.2Very high89.5Confident119 Ų11986.6 Ų86.673%0.7346%0.46SS*.EExtended strand (participates in β ladder)trans-73.9138168.650.30000109.6
197G87.8Confident89.3Confident15 Ų1587.4 Ų87.416%0.15547%0.465CS..PPolyproline II helixtrans-78168.2168.200000112P199 P207 F209G197-P199 WeakPolarHBondContact O-CD 3.49Å; G197-P207 PolarHBondContact N-O 3.06Å; G197-F209 VanDerWaalsContact CA-CE2 3.46Å
198E86.5Confident89Confident183 Ų18391.5 Ų91.586%0.85549%0.49SS*.PPolyproline II helixtrans-71.8121.5170.5-170.6169.9-170.600108.8
199P83.3Confident88.8Confident77 Ų7795 Ų9550%0.550%0.504SS..PPolyproline II helixtrans-72.2140.6176.530-33000110.1G197G197-P199 WeakPolarHBondContact O-CD 3.49Å
200E82.3Confident88.7Confident156 Ų156101.9 Ų101.973%0.72953%0.533SS*.PPolyproline II helixtrans-67.1140.4169.9-66.5177.6177.700110.2G202 S203E200-G202 PolarHBondContact O-N 2.92Å; E200-G202 VanDerWaalsContact O-N 3.14Å; E200-S203 PolarHBondContact O-N 2.83Å; E200-S203 VanDerWaalsContact O-N 3.07Å
201I82.2Confident88.6Confident183 Ų18397.2 Ų97.294%0.93852%0.519SS*.THydrogen-bonded Turntrans-57.8120.1177.6-89.3157.9000109.8
202G82.1Confident88.5Confident89 Ų8999 Ų9992%0.91853%0.53SS*.THydrogen-bonded Turntrans86.7-1.6178.700000115.7E200E200-G202 PolarHBondContact O-N 2.92Å; E200-G202 VanDerWaalsContact O-N 3.14Å
203S81Confident88.6Confident53 Ų5398.6 Ų98.637%0.37152%0.523SS..  trans-88.7139176.1-170.90000112.2E200 Y205E200-S203 PolarHBondContact O-N 2.83Å; E200-S203 VanDerWaalsContact O-N 3.07Å; S203-Y205 WeakPolarHBondContact OG-CB 3.28Å; S203-Y205 PolarHBondContact OG-N 3.06Å
204S84.5Confident88.7Confident122 Ų12297.2 Ų97.285%0.85352%0.518SS*.  trans-77.9-12.3168.958.80000112.7K206S204-K206 PolarHBondContact O-N 3.29Å
205Y87.6Confident88.9Confident156 Ų15693.8 Ų93.861%0.61250%0.495SS*.  trans-72.9124.9178.7-179.6-110.9000110.9S203 P207S203-Y205 WeakPolarHBondContact OG-CB 3.28Å; S203-Y205 PolarHBondContact OG-N 3.06Å; Y205-P207 HydrophobicContact CD1-CB 4.41Å; Y205-P207 HydrophobicContact CD1-CG 4.47Å; Y205-P207 HydrophobicContact CE1-CB 3.7Å; Y205-P207 HydrophobicContact CE1-CG 4.22Å; Y205-P207 WeakPolarHBondContact O-CD 3.28Å
206K85.3Confident89.1Confident171 Ų17187.5 Ų87.574%0.74347%0.471SS*.  trans-109.396.8175-66.1-178-177.7179.10108.6S204S204-K206 PolarHBondContact O-N 3.29Å
207P89.6Confident89.3Confident18 Ų1881.9 Ų81.912%0.11744%0.436CS..  trans-60.9140.817920.2-28.6000110.8G197 Y205 F209G197-P207 PolarHBondContact N-O 3.06Å; Y205-P207 HydrophobicContact CD1-CB 4.41Å; Y205-P207 HydrophobicContact CD1-CG 4.47Å; Y205-P207 HydrophobicContact CE1-CB 3.7Å; Y205-P207 HydrophobicContact CE1-CG 4.22Å; Y205-P207 WeakPolarHBondContact O-CD 3.28Å; P207-F209 HydrophobicContact CB-CE2 4.33Å; P207-F209 HydrophobicContact CB-CZ 4.37Å
208V91.5Very high89.6Confident86 Ų8681.3 Ų81.352%0.52143%0.429SS..EExtended strand (participates in β ladder)trans-132.2129.3178.8176.70000108.4V194V194-V208 HydrophobicContact CB-CG1 4.48Å; V194-V208 HydrophobicContact CG1-CB 4.5Å; V194-V208 HydrophobicContact CG1-CG1 3.03Å
209F92.4Very high89.8Confident94 Ų9472.7 Ų72.741%0.41239%0.389SS..EExtended strand (participates in β ladder)trans-116.2128.3-177.5-59.1-76.2000111V194 R195 G197 P207 V211V194-F209 WeakPolarHBondContact CA-O 3.36Å; R195-F209 HydrophobicContact CG-CB 3.74Å; R195-F209 HydrophobicContact CG-CD2 4.21Å; R195-F209 HydrophobicContact CG-CG 4.46Å; R195-F209 PolarHBondContact N-O 3.08Å; R195-F209 PolarHBondContact O-N 3.33Å; G197-F209 VanDerWaalsContact CA-CE2 3.46Å; P207-F209 HydrophobicContact CB-CE2 4.33Å; P207-F209 HydrophobicContact CB-CZ 4.37Å; F209-V211 PolarHBondContact O-N 3.13Å
210K93.7Very high90Very high151 Ų15169 Ų6966%0.65737%0.366SS*.EExtended strand (participates in β ladder)trans-79.4108.8167.9-173.8176.8-176.5174.20108.9T192 V212T192-K210 HydrophobicContact CG2-CD 4.28Å; T192-K210 HydrophobicContact CG2-CG 3.81Å; K210-V212 HydrophobicContact CG-CG2 4.29Å
211V93.2Very high89.8Confident27 Ų2762 Ų6216%0.16433%0.333CS..EExtended strand (participates in β ladder)trans-92.7127.6175.6-174.60000108.9T192 Y193 R195 F209 Y213T192-V211 VanDerWaalsContact CA-O 3.32Å; T192-V211 WeakPolarHBondContact CA-O 3.37Å; Y193-V211 HydrophobicContact CD1-CB 3.94Å; Y193-V211 HydrophobicContact CD1-CG1 4.25Å; Y193-V211 HydrophobicContact CD2-CB 4.49Å; Y193-V211 HydrophobicContact CE1-CB 3.5Å; Y193-V211 HydrophobicContact CE1-CG1 3.42Å; Y193-V211 VanDerWaalsContact CE1-CG1 3.42Å; Y193-V211 HydrophobicContact CE1-CG2 4.29Å; Y193-V211 HydrophobicContact CE2-CB 4.14Å; Y193-V211 HydrophobicContact CE2-CG2 4.1Å; Y193-V211 HydrophobicContact CG-CB 4.42Å; Y193-V211 PolarHBondContact N-O 3.19Å; Y193-V211 PolarHBondContact O-N 3.23Å; R195-V211 HydrophobicContact CB-CG2 4.18Å; R195-V211 HydrophobicContact CG-CG2 3.64Å; F209-V211 PolarHBondContact O-N 3.13Å; V211-Y213 HydrophobicContact CG1-CD1 4.49Å
212V94.1Very high89.4Confident37 Ų3755.6 Ų55.622%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-124.1131.2176.4-177.40000108.8R190 V191 T192 K210 Y214R190-V212 HydrophobicContact CG-CG1 4.07Å; R190-V212 VanDerWaalsContact CZ-CG1 3.48Å; V191-V212 WeakPolarHBondContact O-CA 3.35Å; T192-V212 HydrophobicContact CG2-CG2 4.03Å; K210-V212 HydrophobicContact CG-CG2 4.29Å; V212-Y214 HydrophobicContact CG1-CE2 4.08Å
213Y95.3Very high89.2Confident37 Ų3753.2 Ų53.215%0.14527%0.274CS..EExtended strand (participates in β ladder)trans-146.4167169.466.7-87.4000110V191 Y193 V211 R215 T230V191-Y213 HydrophobicContact CB-CD1 4.04Å; V191-Y213 HydrophobicContact CB-CD2 4.12Å; V191-Y213 HydrophobicContact CB-CE1 3.58Å; V191-Y213 HydrophobicContact CB-CE2 3.7Å; V191-Y213 HydrophobicContact CB-CG 4.3Å; V191-Y213 VanDerWaalsContact CB-CZ 3.43Å; V191-Y213 HydrophobicContact CG1-CD1 4.38Å; V191-Y213 HydrophobicContact CG1-CE1 3.53Å; V191-Y213 HydrophobicContact CG1-CE2 4.24Å; V191-Y213 VanDerWaalsContact CG1-CZ 3.48Å; V191-Y213 WeakPolarHBondContact CG1-OH 3.46Å; V191-Y213 HydrophobicContact CG2-CD2 4.22Å; V191-Y213 HydrophobicContact CG2-CE1 4.37Å; V191-Y213 HydrophobicContact CG2-CE2 3.6Å; V191-Y213 PolarHBondContact N-O 2.75Å; V191-Y213 PolarHBondContact O-N 3.47Å; V191-Y213 VanDerWaalsContact O-N 3.1Å; Y193-Y213 HydrophobicContact CD1-CD1 4.44Å; Y193-Y213 AromaticContact CD1-CE1 3.89Å; Y193-Y213 HydrophobicContact CD1-CE1 3.89Å; Y193-Y213 AromaticContact CE1-CD1 3.96Å; Y193-Y213 HydrophobicContact CE1-CD1 3.96Å; Y193-Y213 AromaticContact CE1-CE1 3.54Å; Y193-Y213 HydrophobicContact CE1-CE1 3.54Å; V211-Y213 HydrophobicContact CG1-CD1 4.49Å; Y213-R215 HydrophobicContact CD2-CG 4.35Å; Y213-R215 HydrophobicContact CE2-CG 4.08Å; Y213-R215 PolarHBondContact OH-NH2 3.33Å; Y213-T230 HydrophobicContact CD2-CG2 3.71Å; Y213-T230 HydrophobicContact CE2-CG2 3.95Å
214Y95.8Very high89.5Confident42 Ų4254.3 Ų54.317%0.16528%0.276CS..EExtended strand (participates in β ladder)trans-125.1145.8-176.5-61.2-92.2000109.9C189 R190 V212 T230 A231 S233 P235 I238C189-Y214 CarbonylContact O-C 3.57Å; C189-Y214 VanDerWaalsContact O-CA 3.27Å; C189-Y214 WeakPolarHBondContact O-CA 3.48Å; R190-Y214 HydrophobicContact CB-CD1 3.77Å; R190-Y214 HydrophobicContact CB-CE1 3.64Å; R190-Y214 HydrophobicContact CG-CD1 4.07Å; R190-Y214 HydrophobicContact CG-CE1 3.63Å; R190-Y214 PolarHBondContact NH1-OH 3.33Å; V212-Y214 HydrophobicContact CG1-CE2 4.08Å; Y214-T230 WeakPolarHBondContact O-CA 3.15Å; Y214-A231 PolarHBondContact N-O 3.41Å; Y214-A231 PolarHBondContact O-N 2.88Å; Y214-S233 WeakPolarHBondContact CD2-O 3.12Å; Y214-P235 HydrophobicContact CD1-CG 3.78Å; Y214-P235 HydrophobicContact CD2-CG 4.4Å; Y214-P235 HydrophobicContact CE1-CG 3.6Å; Y214-P235 HydrophobicContact CE2-CG 4.27Å; Y214-P235 HydrophobicContact CG-CG 4.17Å; Y214-I238 HydrophobicContact CG-CD1 4.44Å
215R95.5Very high89.8Confident22 Ų2250.9 Ų50.98%0.08325%0.246CC..EExtended strand (participates in β ladder)trans-117.8128.2168.2-45.6-169-177.8102.9-6.6109.3L188 C189 V191 Y213 F229 T230 H371L188-R215 CarbonylContact C-O 3.52Å; L188-R215 WeakPolarHBondContact CA-O 3.33Å; C189-R215 PolarHBondContact N-O 3.42Å; C189-R215 PolarHBondContact O-N 3.22Å; V191-R215 VanDerWaalsContact CG2-NH1 3.35Å; Y213-R215 HydrophobicContact CD2-CG 4.35Å; Y213-R215 HydrophobicContact CE2-CG 4.08Å; Y213-R215 PolarHBondContact OH-NH2 3.33Å; R215-F229 CarbonylContact C-O 3.54Å; R215-F229 WeakPolarHBondContact CA-O 3.06Å; R215-T230 HydrophobicContact CG-CG2 3.96Å; R215-T230 WeakPolarHBondContact CG-OG1 3.49Å; R215-H371 PolarHBondContact NH1-O 3.43Å; R215-H371 PolarHBondContact NH2-O 2.68Å; R215-H371 VanDerWaalsContact NH2-O 3.11Å
216G96.1Very high90.1Very high0 Ų043.5 Ų43.50%022%0.217CC..EExtended strand (participates in β ladder)trans-110.7140.4172.200000111.6Y187 M228 F229Y187-G216 CarbonylContact O-C 3.57Å; Y187-G216 VanDerWaalsContact O-CA 3.28Å; Y187-G216 WeakPolarHBondContact O-CA 3.48Å; G216-M228 CarbonylContact O-C 3.5Å; G216-M228 VanDerWaalsContact O-CA 3.27Å; G216-M228 WeakPolarHBondContact O-CA 3.33Å; G216-F229 PolarHBondContact N-O 3.44Å; G216-F229 PolarHBondContact O-N 3.03Å
217I96.1Very high90.5Very high0 Ų035.5 Ų35.50%018%0.183CC..EExtended strand (participates in β ladder)trans-130126.8-179.6-54.6171.8000108.6C186 Y187 F219 I226 S227 M228 F330 L343C186-I217 CarbonylContact C-O 3.47Å; C186-I217 VanDerWaalsContact CA-O 3.25Å; C186-I217 WeakPolarHBondContact CA-O 2.97Å; C186-I217 VanDerWaalsContact CB-O 3.27Å; C186-I217 WeakPolarHBondContact CB-O 3.28Å; Y187-I217 PolarHBondContact N-O 2.94Å; Y187-I217 PolarHBondContact O-N 3.35Å; I217-F219 HydrophobicContact CG2-CD2 4.4Å; I217-F219 HydrophobicContact CG2-CE2 3.68Å; I217-F219 HydrophobicContact CG2-CZ 3.92Å; I217-I226 HydrophobicContact CG2-CD1 3.7Å; I217-I226 HydrophobicContact CG2-CG1 4.01Å; I217-S227 CarbonylContact C-O 3.59Å; I217-S227 WeakPolarHBondContact CA-O 3.44Å; I217-M228 HydrophobicContact CD1-CE 3.75Å; I217-M228 HydrophobicContact CG1-CE 3.85Å; I217-M228 HydrophobicContact CG1-CG 4.14Å; I217-F330 HydrophobicContact CD1-CE1 4.04Å; I217-F330 HydrophobicContact CD1-CE2 4.03Å; I217-F330 HydrophobicContact CD1-CZ 3.47Å; I217-F330 VanDerWaalsContact CD1-CZ 3.47Å; I217-L343 HydrophobicContact CD1-CD1 4.29Å
218R93.3Very high90.7Very high3 Ų334.8 Ų34.81%0.01118%0.178CC..EExtended strand (participates in β ladder)trans-125.4132.4177.1-177.1-177.2175.1-153.7-6.1110.2C186 H220 I226 S227 L242 S243C186-R218 HydrophobicContact CB-CB 4.3Å; R218-H220 PolarHBondContact NE-CE1 3.14Å; R218-H220 PolarHBondContact NH1-CE1 3.09Å; R218-H220 VanDerWaalsContact NH1-CE1 3.3Å; R218-I226 WeakPolarHBondContact O-CA 3.25Å; R218-S227 PolarHBondContact N-O 2.92Å; R218-S227 PolarHBondContact O-N 3.03Å; R218-L242 HydrophobicContact CB-CB 4.38Å; R218-L242 HydrophobicContact CB-CD1 4.39Å; R218-L242 HydrophobicContact CB-CD2 4.37Å; R218-L242 VanDerWaalsContact CD-O 3.3Å; R218-L242 WeakPolarHBondContact CD-O 3.4Å; R218-L242 PolarHBondContact NH1-O 3.3Å; R218-S243 PolarHBondContact NH1-O 3.16Å
219F91.9Very high90.9Very high2 Ų231 Ų311%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-101.3148.3173.8-63.5-90000110.7V181 Y183 Y187 I217 I226 Y285 I293 L343V181-F219 HydrophobicContact CB-CB 4.34Å; V181-F219 HydrophobicContact CB-CD1 4.24Å; V181-F219 HydrophobicContact CB-CD2 3.89Å; V181-F219 HydrophobicContact CB-CE2 4.29Å; V181-F219 HydrophobicContact CB-CG 3.88Å; V181-F219 HydrophobicContact CG1-CD1 4.1Å; V181-F219 HydrophobicContact CG1-CD2 4.12Å; V181-F219 HydrophobicContact CG1-CE1 4Å; V181-F219 HydrophobicContact CG1-CE2 4.05Å; V181-F219 HydrophobicContact CG1-CG 4.17Å; V181-F219 HydrophobicContact CG1-CZ 3.99Å; V181-F219 HydrophobicContact CG2-CB 3.92Å; V181-F219 HydrophobicContact CG2-CD1 4.04Å; V181-F219 HydrophobicContact CG2-CD2 4.35Å; V181-F219 HydrophobicContact CG2-CG 3.83Å; Y183-F219 HydrophobicContact CD1-CB 3.92Å; Y183-F219 HydrophobicContact CE1-CB 3.94Å; Y187-F219 HydrophobicContact CD2-CD2 4.1Å; Y187-F219 AromaticContact CD2-CE2 3.87Å; Y187-F219 HydrophobicContact CD2-CE2 3.87Å; Y187-F219 AromaticContact CE2-CD2 3.96Å; Y187-F219 HydrophobicContact CE2-CD2 3.96Å; Y187-F219 AromaticContact CE2-CE2 3.92Å; Y187-F219 HydrophobicContact CE2-CE2 3.92Å; I217-F219 HydrophobicContact CG2-CD2 4.4Å; I217-F219 HydrophobicContact CG2-CE2 3.68Å; I217-F219 HydrophobicContact CG2-CZ 3.92Å; F219-I226 HydrophobicContact CD1-CB 4.47Å; F219-I226 HydrophobicContact CD1-CD1 4.31Å; F219-I226 HydrophobicContact CD1-CG1 4.45Å; F219-I226 HydrophobicContact CE1-CD1 3.65Å; F219-I226 HydrophobicContact CE1-CG1 4.26Å; F219-I226 HydrophobicContact CZ-CD1 3.86Å; F219-Y285 HydrophobicContact CB-CE1 4.33Å; F219-Y285 AromaticContact CD1-CD1 3.67Å; F219-Y285 HydrophobicContact CD1-CD1 3.67Å; F219-Y285 HydrophobicContact CD1-CD2 4.07Å; F219-Y285 AromaticContact CD1-CE1 3.85Å; F219-Y285 HydrophobicContact CD1-CE1 3.85Å; F219-Y285 HydrophobicContact CD1-CE2 4.26Å; F219-Y285 AromaticContact CD1-CG 3.78Å; F219-Y285 HydrophobicContact CD1-CG 3.78Å; F219-Y285 HydrophobicContact CE1-CD1 4.29Å; F219-Y285 HydrophobicContact CE1-CD2 4.32Å; F219-Y285 HydrophobicContact CE1-CG 4.01Å; F219-I293 HydrophobicContact CE1-CD1 3.54Å; F219-I293 HydrophobicContact CE2-CD1 4.49Å; F219-I293 HydrophobicContact CZ-CD1 3.46Å; F219-I293 VanDerWaalsContact CZ-CD1 3.46Å; F219-L343 HydrophobicContact CE2-CD1 3.82Å; F219-L343 HydrophobicContact CZ-CD1 4.12Å
220H87.2Confident91Very high1 Ų128 Ų281%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-126.4114.4179.3-60.9-99.1000109.7R218 N224 Q225 H246R218-H220 PolarHBondContact NE-CE1 3.14Å; R218-H220 PolarHBondContact NH1-CE1 3.09Å; R218-H220 VanDerWaalsContact NH1-CE1 3.3Å; H220-N224 PolarHBondContact O-N 3.27Å; H220-Q225 HydrophobicContact CB-CB 4.31Å; H220-Q225 WeakPolarHBondContact CB-O 3.46Å; H220-Q225 PolarHBondContact CD2-O 3.29Å; H220-Q225 PolarHBondContact N-O 3.07Å; H220-Q225 PolarHBondContact O-N 3.33Å; H220-H246 AromaticContact CE1-CD2 3.44Å; H220-H246 PolarHBondContact CE1-CD2 3.43Å; H220-H246 VanDerWaalsContact CE1-CD2 3.44Å; H220-H246 AromaticContact CE1-CG 3.68Å; H220-H246 AromaticContact CG-CD2 3.59Å; H220-H246 AromaticContact CG-NE2 3.98Å; H220-H246 AromaticContact ND1-CD2 3.22Å; H220-H246 PolarHBondContact ND1-CD2 2.69Å; H220-H246 AromaticContact ND1-CG 3.65Å; H220-H246 AromaticContact ND1-NE2 3.79Å; H220-H246 AromaticContact NE2-CD2 3.93Å
221V78.2Confident90.9Very high9 Ų920.9 Ų20.96%0.05511%0.113CC..THydrogen-bonded Turntrans-59.3-51.7-177.4-170.60000111.3K141 Y183 S223K141-V221 HydrophobicContact CG-CG1 4.03Å; Y183-V221 HydrophobicContact CD1-CB 4.23Å; Y183-V221 HydrophobicContact CD1-CG2 3.22Å; Y183-V221 HydrophobicContact CD2-CG2 3.39Å; Y183-V221 HydrophobicContact CE1-CB 4.11Å; Y183-V221 HydrophobicContact CE1-CG2 3.4Å; Y183-V221 VanDerWaalsContact CE1-CG2 3.4Å; Y183-V221 HydrophobicContact CE2-CG2 3.6Å; Y183-V221 HydrophobicContact CG-CG2 3.18Å; V221-S223 VanDerWaalsContact C-N 3.27Å; V221-S223 PolarHBondContact O-N 3.17Å
222S73.1Confident90.9Very high48 Ų4824.2 Ų24.234%0.33614%0.135SC..THydrogen-bonded Turntrans-65.5-33-163.771.90000112.9D386S222-D386 PolarHBondContact OG-OD2 3.31Å
223S78.2Confident90.6Very high38 Ų3823.8 Ų23.827%0.26613%0.134SC..THydrogen-bonded Turntrans-111.80.3-171.6610000113.7V221 Q225 H246V221-S223 VanDerWaalsContact C-N 3.27Å; V221-S223 PolarHBondContact O-N 3.17Å; S223-Q225 WeakPolarHBondContact O-CG 3.39Å; S223-Q225 PolarHBondContact O-N 3.17Å; S223-Q225 VanDerWaalsContact O-N 3.17Å; S223-Q225 VanDerWaalsContact OG-CB 3.3Å; S223-Q225 WeakPolarHBondContact OG-CB 3.08Å; S223-Q225 WeakPolarHBondContact OG-CG 3.33Å; S223-Q225 PolarHBondContact OG-OE1 2.58Å; S223-H246 PolarHBondContact OG-NE2 3.4Å; S223-H246 VanDerWaalsContact OG-NE2 3.09Å
224N86.9Confident90.2Very high77 Ų7726.8 Ų26.841%0.41215%0.153SC..THydrogen-bonded Turntrans48.537.3-168.4-65.7-31.1000112.7H220 T284 Y285H220-N224 PolarHBondContact O-N 3.27Å; N224-T284 VanDerWaalsContact O-CA 3.31Å; N224-T284 WeakPolarHBondContact O-CA 3.4Å; N224-Y285 VanDerWaalsContact C-CE1 3.46Å; N224-Y285 PolarHBondContact O-N 3.04Å; N224-Y285 VanDerWaalsContact O-N 3.17Å
225Q90.6Very high89.9Confident49 Ų4926.4 Ų26.423%0.22916%0.155CC..EExtended strand (participates in β ladder)trans-103.6154.5-177.3-72.2176.42.300111.6H220 S223 H246 G283 Y285H220-Q225 HydrophobicContact CB-CB 4.31Å; H220-Q225 WeakPolarHBondContact CB-O 3.46Å; H220-Q225 PolarHBondContact CD2-O 3.29Å; H220-Q225 PolarHBondContact N-O 3.07Å; H220-Q225 PolarHBondContact O-N 3.33Å; S223-Q225 WeakPolarHBondContact O-CG 3.39Å; S223-Q225 PolarHBondContact O-N 3.17Å; S223-Q225 VanDerWaalsContact O-N 3.17Å; S223-Q225 VanDerWaalsContact OG-CB 3.3Å; S223-Q225 WeakPolarHBondContact OG-CB 3.08Å; S223-Q225 WeakPolarHBondContact OG-CG 3.33Å; S223-Q225 PolarHBondContact OG-OE1 2.58Å; Q225-H246 PolarHBondContact OE1-CD2 3.4Å; Q225-H246 PolarHBondContact OE1-NE2 3.42Å; Q225-G283 CarbonylContact C-O 3.6Å; Q225-G283 VanDerWaalsContact CA-O 3.28Å; Q225-G283 WeakPolarHBondContact CA-O 3.28Å; Q225-Y285 WeakPolarHBondContact O-CE1 3.27Å
226I93.4Very high89.5Confident1 Ų129.4 Ų29.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-131.9141.3176.4178.8174000109.5I217 R218 F219 K282 G283 T284 Y285 C295 L297I217-I226 HydrophobicContact CG2-CD1 3.7Å; I217-I226 HydrophobicContact CG2-CG1 4.01Å; R218-I226 WeakPolarHBondContact O-CA 3.25Å; F219-I226 HydrophobicContact CD1-CB 4.47Å; F219-I226 HydrophobicContact CD1-CD1 4.31Å; F219-I226 HydrophobicContact CD1-CG1 4.45Å; F219-I226 HydrophobicContact CE1-CD1 3.65Å; F219-I226 HydrophobicContact CE1-CG1 4.26Å; F219-I226 HydrophobicContact CZ-CD1 3.86Å; I226-K282 VanDerWaalsContact O-CA 3.28Å; I226-K282 WeakPolarHBondContact O-CA 3.47Å; I226-G283 PolarHBondContact N-O 2.88Å; I226-G283 PolarHBondContact O-N 2.78Å; I226-T284 WeakPolarHBondContact CG2-O 3.31Å; I226-Y285 HydrophobicContact CB-CD1 4.18Å; I226-C295 HydrophobicContact CD1-CB 3.79Å; I226-C295 WeakPolarHBondContact CD1-SG 3.39Å; I226-C295 HydrophobicContact CG2-CB 4.46Å; I226-L297 HydrophobicContact CB-CD2 4.41Å; I226-L297 HydrophobicContact CG1-CD2 4.3Å; I226-L297 HydrophobicContact CG2-CD2 3.55Å; I226-L297 HydrophobicContact CG2-CG 4.41Å
227S93.7Very high89.2Confident4 Ų430.6 Ų30.63%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-120.1131.1169.2-63.90000109.3I217 R218 S245 L281I217-S227 CarbonylContact C-O 3.59Å; I217-S227 WeakPolarHBondContact CA-O 3.44Å; R218-S227 PolarHBondContact N-O 2.92Å; R218-S227 PolarHBondContact O-N 3.03Å; S227-S245 PolarHBondContact OG-OG 3.44Å; S227-S245 VanDerWaalsContact OG-OG 3.05Å; S227-L281 WeakPolarHBondContact CA-O 3.41Å
228M95.2Very high88.9Confident3 Ų330.6 Ų30.62%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-122.3126.8173-179.3-177.3-6800109.4G216 I217 L281 L297 I328 F330 W345G216-M228 CarbonylContact O-C 3.5Å; G216-M228 VanDerWaalsContact O-CA 3.27Å; G216-M228 WeakPolarHBondContact O-CA 3.33Å; I217-M228 HydrophobicContact CD1-CE 3.75Å; I217-M228 HydrophobicContact CG1-CE 3.85Å; I217-M228 HydrophobicContact CG1-CG 4.14Å; M228-L281 HydrophobicContact CB-CB 4.39Å; M228-L281 PolarHBondContact N-O 3.48Å; M228-L281 PolarHBondContact O-N 3.08Å; M228-L297 HydrophobicContact CB-CD1 3.89Å; M228-L297 HydrophobicContact CE-CD1 3.79Å; M228-L297 HydrophobicContact SD-CD1 4.09Å; M228-I328 HydrophobicContact CE-CD1 3.57Å; M228-I328 HydrophobicContact SD-CD1 4.09Å; M228-F330 HydrophobicContact CE-CE2 4.28Å; M228-F330 HydrophobicContact CE-CZ 3.96Å; M228-W345 HydrophobicContact CE-CH2 4.22Å
229F94.8Very high88.7Confident6 Ų631.6 Ų31.63%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-124.6125.2178.8-173-120.7000110.7R215 G216 A231 I238 V241 L242 V276 T279 L280R215-F229 CarbonylContact C-O 3.54Å; R215-F229 WeakPolarHBondContact CA-O 3.06Å; G216-F229 PolarHBondContact N-O 3.44Å; G216-F229 PolarHBondContact O-N 3.03Å; F229-A231 HydrophobicContact CD1-CB 4.23Å; F229-A231 HydrophobicContact CE1-CB 3.57Å; F229-A231 HydrophobicContact CZ-CB 3.88Å; F229-I238 HydrophobicContact CB-CG2 4.46Å; F229-I238 HydrophobicContact CD1-CB 4.11Å; F229-I238 HydrophobicContact CD1-CG1 3.83Å; F229-I238 HydrophobicContact CD1-CG2 4.04Å; F229-I238 HydrophobicContact CE1-CG1 4.11Å; F229-V241 HydrophobicContact CD1-CB 3.99Å; F229-V241 HydrophobicContact CD1-CG1 4.02Å; F229-V241 HydrophobicContact CD1-CG2 4.32Å; F229-V241 HydrophobicContact CD2-CG1 3.98Å; F229-V241 HydrophobicContact CE1-CB 4.03Å; F229-V241 HydrophobicContact CE1-CG1 4.16Å; F229-V241 HydrophobicContact CE1-CG2 3.84Å; F229-V241 HydrophobicContact CE2-CG1 4.12Å; F229-V241 HydrophobicContact CG-CB 4.39Å; F229-V241 HydrophobicContact CG-CG1 3.93Å; F229-V241 HydrophobicContact CZ-CB 4.46Å; F229-V241 HydrophobicContact CZ-CG1 4.21Å; F229-V241 HydrophobicContact CZ-CG2 4.08Å; F229-L242 HydrophobicContact CB-CD2 3.94Å; F229-L242 HydrophobicContact CB-CG 4.25Å; F229-V276 HydrophobicContact CE1-CG1 3.92Å; F229-V276 HydrophobicContact CZ-CG1 3.98Å; F229-T279 WeakPolarHBondContact CA-O 3.37Å; F229-T279 WeakPolarHBondContact CD2-O 3.19Å; F229-L280 HydrophobicContact CB-CD1 4Å; F229-L280 HydrophobicContact CD2-CB 3.81Å; F229-L280 HydrophobicContact CD2-CD1 4.15Å; F229-L280 HydrophobicContact CE2-CB 4.33Å; F229-L280 HydrophobicContact CG-CD1 4.46Å
230T93.9Very high88.5Confident32 Ų3233.2 Ų33.220%0.19621%0.208CC..EExtended strand (participates in β ladder)trans-114.3122.7176.9-59.40000109.8Y213 Y214 R215 G278 T279Y213-T230 HydrophobicContact CD2-CG2 3.71Å; Y213-T230 HydrophobicContact CE2-CG2 3.95Å; Y214-T230 WeakPolarHBondContact O-CA 3.15Å; R215-T230 HydrophobicContact CG-CG2 3.96Å; R215-T230 WeakPolarHBondContact CG-OG1 3.49Å; T230-G278 CarbonylContact O-C 3.56Å; T230-G278 WeakPolarHBondContact O-CA 3.35Å; T230-T279 PolarHBondContact N-O 3.3Å; T230-T279 PolarHBondContact O-N 2.79Å
231A92.9Very high88.4Confident1 Ų134.1 Ų34.11%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-149.2150.8-179.800000112Y214 F229 S233 I238 V276Y214-A231 PolarHBondContact N-O 3.41Å; Y214-A231 PolarHBondContact O-N 2.88Å; F229-A231 HydrophobicContact CD1-CB 4.23Å; F229-A231 HydrophobicContact CE1-CB 3.57Å; F229-A231 HydrophobicContact CZ-CB 3.88Å; A231-S233 WeakPolarHBondContact CB-OG 3.46Å; A231-S233 PolarHBondContact O-N 3.28Å; A231-I238 HydrophobicContact CB-CD1 4.32Å; A231-I238 HydrophobicContact CB-CG1 4.28Å; A231-V276 HydrophobicContact CB-CG1 4.03Å
232P92.1Very high88.9Confident96 Ų9633.7 Ų33.762%0.62321%0.211SC*.SBendtrans-77.44.217234.2-35.2000113.1S277P232-S277 WeakPolarHBondContact CD-O 3.24Å
233S87.9Confident89.4Confident28 Ų2833.1 Ų33.120%0.19621%0.207CC..SBendtrans-87.9169.2-174.660.50000113.3Y214 A231 S237 V276Y214-S233 WeakPolarHBondContact CD2-O 3.12Å; A231-S233 WeakPolarHBondContact CB-OG 3.46Å; A231-S233 PolarHBondContact O-N 3.28Å; S233-S237 WeakPolarHBondContact CB-OG 3.45Å; S233-S237 PolarHBondContact OG-OG 2.88Å; S233-V276 WeakPolarHBondContact OG-CG1 3.34Å
234N88.1Confident89.4Confident101 Ų10134.8 Ų34.854%0.5421%0.209SC..  trans-56.2142.9177.5-178.7-74.6000111.9S236 S237N234-S236 PolarHBondContact O-N 3.3Å; N234-S236 VanDerWaalsContact OD1-CB 3.25Å; N234-S236 WeakPolarHBondContact OD1-CB 3.44Å; N234-S236 PolarHBondContact OD1-N 2.82Å; N234-S236 PolarHBondContact OD1-OG 3.5Å; N234-S237 WeakPolarHBondContact O-CB 3.45Å; N234-S237 PolarHBondContact O-N 3.01Å; N234-S237 PolarHBondContact O-OG 3.31Å
235P87.9Confident88.4Confident34 Ų3431.5 Ų31.522%0.22119%0.192CC..Hα-helixtrans-49.8-34178-30.335.8000115.5L188 Y214 S237 I238 V239L188-P235 HydrophobicContact CD1-CB 4.3Å; Y214-P235 HydrophobicContact CD1-CG 3.78Å; Y214-P235 HydrophobicContact CD2-CG 4.4Å; Y214-P235 HydrophobicContact CE1-CG 3.6Å; Y214-P235 HydrophobicContact CE2-CG 4.27Å; Y214-P235 HydrophobicContact CG-CG 4.17Å; P235-S237 VanDerWaalsContact C-N 3.26Å; P235-S237 PolarHBondContact O-N 2.9Å; P235-I238 WeakPolarHBondContact O-CB 3.25Å; P235-I238 PolarHBondContact O-N 2.86Å; P235-I238 VanDerWaalsContact O-N 3.14Å; P235-V239 WeakPolarHBondContact O-CG2 3.38Å; P235-V239 PolarHBondContact O-N 2.93Å
236S89Confident87Confident84 Ų8430.4 Ų30.459%0.58719%0.187SC*.Hα-helixtrans-61.1-36178.3-51.80000112.2N234 V239 A240N234-S236 PolarHBondContact O-N 3.3Å; N234-S236 VanDerWaalsContact OD1-CB 3.25Å; N234-S236 WeakPolarHBondContact OD1-CB 3.44Å; N234-S236 PolarHBondContact OD1-N 2.82Å; N234-S236 PolarHBondContact OD1-OG 3.5Å; S236-V239 PolarHBondContact O-N 3.03Å; S236-A240 PolarHBondContact O-N 2.85Å
237S88.7Confident85.2Confident25 Ų2535.7 Ų35.718%0.17521%0.212CC..Hα-helixtrans-70.4-35.5177.172.20000112.1S233 N234 P235 A240 V241S233-S237 WeakPolarHBondContact CB-OG 3.45Å; S233-S237 PolarHBondContact OG-OG 2.88Å; N234-S237 WeakPolarHBondContact O-CB 3.45Å; N234-S237 PolarHBondContact O-N 3.01Å; N234-S237 PolarHBondContact O-OG 3.31Å; P235-S237 VanDerWaalsContact C-N 3.26Å; P235-S237 PolarHBondContact O-N 2.9Å; S237-A240 PolarHBondContact O-N 3.31Å; S237-V241 WeakPolarHBondContact O-CG2 3.45Å; S237-V241 PolarHBondContact O-N 3.17Å
238I89.5Confident83Confident0 Ų038.9 Ų38.90%023%0.234CC..Hα-helixtrans-64.9-46174.4-65.6-173.9000110.3L188 Y214 F229 A231 P235 A240 V241 L242L188-I238 HydrophobicContact CD2-CG2 3.89Å; Y214-I238 HydrophobicContact CG-CD1 4.44Å; F229-I238 HydrophobicContact CB-CG2 4.46Å; F229-I238 HydrophobicContact CD1-CB 4.11Å; F229-I238 HydrophobicContact CD1-CG1 3.83Å; F229-I238 HydrophobicContact CD1-CG2 4.04Å; F229-I238 HydrophobicContact CE1-CG1 4.11Å; A231-I238 HydrophobicContact CB-CD1 4.32Å; A231-I238 HydrophobicContact CB-CG1 4.28Å; P235-I238 WeakPolarHBondContact O-CB 3.25Å; P235-I238 PolarHBondContact O-N 2.86Å; P235-I238 VanDerWaalsContact O-N 3.14Å; I238-A240 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.02Å; I238-V241 PolarHBondContact O-N 3.42Å; I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.42Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 2.8Å
239V88.8Confident80.5Confident25 Ų2543.2 Ų43.215%0.15226%0.257CS..Hα-helixtrans-58.1-41.3175.5173.10000111L188 P235 S236 V241 L242 S243 V380 F383L188-V239 HydrophobicContact CD1-CG2 4.31Å; P235-V239 WeakPolarHBondContact O-CG2 3.38Å; P235-V239 PolarHBondContact O-N 2.93Å; S236-V239 PolarHBondContact O-N 3.03Å; V239-V241 PolarHBondContact O-N 3.08Å; V239-L242 PolarHBondContact O-N 2.78Å; V239-S243 WeakPolarHBondContact O-CB 3.24Å; V239-S243 PolarHBondContact O-N 2.8Å; V239-S243 PolarHBondContact O-OG 2.99Å; V239-V380 HydrophobicContact CG1-CB 4.26Å; V239-V380 HydrophobicContact CG1-CG1 3.6Å; V239-V380 HydrophobicContact CG1-CG2 3.59Å; V239-V380 HydrophobicContact CG2-CG2 4.25Å; V239-F383 HydrophobicContact CG1-CZ 4.33Å
240A87.4Confident77.5Confident36 Ų3646.7 Ų46.730%0.29828%0.282SS..Hα-helixtrans-67.6-31.6178.300000113.8S236 S237 I238 S243S236-A240 PolarHBondContact O-N 2.85Å; S237-A240 PolarHBondContact O-N 3.31Å; I238-A240 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.02Å; A240-S243 PolarHBondContact O-OG 2.92Å
241V86.8Confident74.5Confident20 Ų2049.9 Ų49.912%0.12131%0.305CS..Hα-helixtrans-72.7-45.6172.9172.20000110.3F229 S237 I238 V239 S243 K244 S245 T274 L280F229-V241 HydrophobicContact CD1-CB 3.99Å; F229-V241 HydrophobicContact CD1-CG1 4.02Å; F229-V241 HydrophobicContact CD1-CG2 4.32Å; F229-V241 HydrophobicContact CD2-CG1 3.98Å; F229-V241 HydrophobicContact CE1-CB 4.03Å; F229-V241 HydrophobicContact CE1-CG1 4.16Å; F229-V241 HydrophobicContact CE1-CG2 3.84Å; F229-V241 HydrophobicContact CE2-CG1 4.12Å; F229-V241 HydrophobicContact CG-CB 4.39Å; F229-V241 HydrophobicContact CG-CG1 3.93Å; F229-V241 HydrophobicContact CZ-CB 4.46Å; F229-V241 HydrophobicContact CZ-CG1 4.21Å; F229-V241 HydrophobicContact CZ-CG2 4.08Å; S237-V241 WeakPolarHBondContact O-CG2 3.45Å; S237-V241 PolarHBondContact O-N 3.17Å; I238-V241 PolarHBondContact O-N 3.42Å; V239-V241 PolarHBondContact O-N 3.08Å; V241-S243 PolarHBondContact O-N 3.3Å; V241-K244 PolarHBondContact O-N 3.46Å; V241-S245 PolarHBondContact O-N 3.14Å; V241-S245 VanDerWaalsContact O-N 3.1Å; V241-T274 HydrophobicContact CG2-CG2 3.88Å; V241-L280 HydrophobicContact CG1-CD1 4.44Å
242L88.5Confident71.4Confident0 Ų054.5 Ų54.50%034%0.338CS..Hα-helixtrans-67.3-22.2179.2-68.8175.6000113.3C186 R218 F229 I238 V239 S245 L280C186-L242 HydrophobicContact CB-CD1 4.11Å; R218-L242 HydrophobicContact CB-CB 4.38Å; R218-L242 HydrophobicContact CB-CD1 4.39Å; R218-L242 HydrophobicContact CB-CD2 4.37Å; R218-L242 VanDerWaalsContact CD-O 3.3Å; R218-L242 WeakPolarHBondContact CD-O 3.4Å; R218-L242 PolarHBondContact NH1-O 3.3Å; F229-L242 HydrophobicContact CB-CD2 3.94Å; F229-L242 HydrophobicContact CB-CG 4.25Å; I238-L242 HydrophobicContact CG2-CD1 3.91Å; I238-L242 HydrophobicContact CG2-CG 4.42Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 2.8Å; V239-L242 PolarHBondContact O-N 2.78Å; L242-S245 PolarHBondContact O-OG 2.6Å; L242-L280 HydrophobicContact CD2-CD1 4.48Å
243S83.3Confident68.4Low35 Ų3558.2 Ų58.225%0.24535%0.349CS..Hα-helixtrans-74-36.8175.965.10000112.3R218 V239 A240 V241 F383R218-S243 PolarHBondContact NH1-O 3.16Å; V239-S243 WeakPolarHBondContact O-CB 3.24Å; V239-S243 PolarHBondContact O-N 2.8Å; V239-S243 PolarHBondContact O-OG 2.99Å; A240-S243 PolarHBondContact O-OG 2.92Å; V241-S243 PolarHBondContact O-N 3.3Å; S243-F383 VanDerWaalsContact CA-CE1 3.44Å
244K77.7Confident65.4Low73 Ų7364 Ų6432%0.31738%0.378SS..Hα-helixtrans-86.1-21.2-178.2-64.1172.6-173.1167.90113.6V241 H246 Q247 M272V241-K244 PolarHBondContact O-N 3.46Å; K244-H246 PolarHBondContact O-N 3.14Å; K244-Q247 PolarHBondContact O-N 3.27Å; K244-M272 HydrophobicContact CD-SD 3.78Å; K244-M272 WeakPolarHBondContact CE-SD 3.33Å; K244-M272 PolarHBondContact NZ-SD 3Å
245S66.7Low62.5Low8 Ų865 Ų656%0.05639%0.387CS..THydrogen-bonded Turntrans-57.7-24.7-169.369.50000114.5S227 V241 L242 K282S227-S245 PolarHBondContact OG-OG 3.44Å; S227-S245 VanDerWaalsContact OG-OG 3.05Å; V241-S245 PolarHBondContact O-N 3.14Å; V241-S245 VanDerWaalsContact O-N 3.1Å; L242-S245 PolarHBondContact O-OG 2.6Å; S245-K282 VanDerWaalsContact O-CE 3.27Å; S245-K282 WeakPolarHBondContact O-CE 3.06Å; S245-K282 PolarHBondContact O-NZ 2.82Å
246H60.6Low59.6Low27 Ų2768.3 Ų68.313%0.12541%0.411CS..THydrogen-bonded Turntrans-91-22.2-176.8-159.1-89.9000114.2H220 S223 Q225 K244 S248 L249 D386H220-H246 AromaticContact CE1-CD2 3.44Å; H220-H246 PolarHBondContact CE1-CD2 3.43Å; H220-H246 VanDerWaalsContact CE1-CD2 3.44Å; H220-H246 AromaticContact CE1-CG 3.68Å; H220-H246 AromaticContact CG-CD2 3.59Å; H220-H246 AromaticContact CG-NE2 3.98Å; H220-H246 AromaticContact ND1-CD2 3.22Å; H220-H246 PolarHBondContact ND1-CD2 2.69Å; H220-H246 AromaticContact ND1-CG 3.65Å; H220-H246 AromaticContact ND1-NE2 3.79Å; H220-H246 AromaticContact NE2-CD2 3.93Å; S223-H246 PolarHBondContact OG-NE2 3.4Å; S223-H246 VanDerWaalsContact OG-NE2 3.09Å; Q225-H246 PolarHBondContact OE1-CD2 3.4Å; Q225-H246 PolarHBondContact OE1-NE2 3.42Å; K244-H246 PolarHBondContact O-N 3.14Å; H246-S248 PolarHBondContact O-N 3.43Å; H246-S248 VanDerWaalsContact O-N 3.1Å; H246-L249 PolarHBondContact O-N 3.01Å; H246-D386 IonicContact CE1-OD1 3.76Å; H246-D386 IonicContact CE1-OD2 3.8Å; H246-D386 IonicContact CG-OD1 2.68Å; H246-D386 IonicContact ND1-OD1 3.22Å; H246-D386 PolarHBondContact ND1-OD1 2.8Å
247Q55.8Low56.6Low112 Ų11270.9 Ų70.952%0.52342%0.418SS..G310 helixtrans-63.1-22.4-178.2-70179.61.200113.3K244 L249 S250K244-Q247 PolarHBondContact O-N 3.27Å; Q247-L249 VanDerWaalsContact C-N 3.3Å; Q247-L249 PolarHBondContact O-N 3.25Å; Q247-S250 PolarHBondContact O-OG 2.89Å
248S46.4Very low53.6Low71 Ų7176.6 Ų76.650%0.49745%0.451SS..G310 helixtrans-78.7-3.1-175.1770000115.2H246 K282H246-S248 PolarHBondContact O-N 3.43Å; H246-S248 VanDerWaalsContact O-N 3.1Å; S248-K282 PolarHBondContact OG-NZ 3.22Å
249L42.6Very low50.4Low93 Ų9380 Ų8049%0.48749%0.487SS..G310 helixtrans-95.1-19177.3-84.191.3000113.4H246 Q247 S251H246-L249 PolarHBondContact O-N 3.01Å; Q247-L249 VanDerWaalsContact C-N 3.3Å; Q247-L249 PolarHBondContact O-N 3.25Å; L249-S251 PolarHBondContact O-N 2.67Å
250S32Very low47.4Very low79 Ų7986.1 Ų86.155%0.55252%0.518SS*.THydrogen-bonded Turntrans-84.8-2.1-176.363.10000114.8Q247Q247-S250 PolarHBondContact O-OG 2.89Å
251S31.1Very low44.6Very low99 Ų9991.6 Ų91.669%0.69254%0.543SS*.THydrogen-bonded Turntrans-105.818.5178.661.70000114.7L249L249-S251 PolarHBondContact O-N 2.67Å
252S29.4Very low41.8Very low98 Ų9897.8 Ų97.869%0.68558%0.575SS**  trans-110.918.4172.1-60.40000113.8D254S252-D254 PolarHBondContact O-N 2.83Å
253M28.2Very low38.9Very low174 Ų174104.3 Ų104.386%0.85761%0.61SS**SBendtrans-78.3105.7159.1-77176.7179.100107.4V255M253-V255 PolarHBondContact O-N 3.14Å
254D24.1Very low36.2Very low151 Ų151110.2 Ų110.281%0.80764%0.639SS**  trans-46.8109.7172.5-72.5-47.7000111.1S252S252-D254 PolarHBondContact O-N 2.83Å
255V27.2Very low33.7Very low120 Ų120113.5 Ų113.573%0.72766%0.66SS**  trans-122.274.8152-176.70000106.7M253 L257M253-V255 PolarHBondContact O-N 3.14Å; V255-L257 HydrophobicContact CG1-CB 3.98Å; V255-L257 PolarHBondContact O-N 2.91Å
256S26.9Very low31.7Very low105 Ų105117.3 Ų117.373%0.73469%0.687SS**  trans-70.467.8155.147.20000109.1
257L26Very low30.1Very low138 Ų138124.4 Ų124.472%0.72373%0.725SS**  trans-138.298.8168.2-73.4175.3000110.8V255V255-L257 HydrophobicContact CG1-CB 3.98Å; V255-L257 PolarHBondContact O-N 2.91Å
258V26.3Very low28.7Very low145 Ų145124.1 Ų124.188%0.87974%0.735SS**  trans54.3115.1138.7-1700000117.7
259G23.4Very low27.9Very low72 Ų72130 Ų13074%0.74276%0.755SS**  trans133.9106.6142.300000115.1
260N26Very low27.1Very low153 Ų153128.9 Ų128.982%0.81876%0.759SS**  trans-21.5132.3157-80.8-16.6000114.8
261N26.8Very low26.9Very low151 Ų151131 Ų13181%0.80777%0.769SS**  trans-151.7108.3132.4-98.9-23.8000110.6N263N261-N263 PolarHBondContact O-N 3.18Å; N261-N263 VanDerWaalsContact O-N 3.14Å
262N28.1Very low26.9Very low149 Ų149132.6 Ų132.680%0.79777%0.767SS**  trans-55.9107.8156.8-73.6-29.2000108.1
263N27.5Very low27.1Very low138 Ų138136.7 Ų136.774%0.73877%0.772SS**  trans-134.694.1158.6-91.1-24.9000108.6N261 N265N261-N263 PolarHBondContact O-N 3.18Å; N261-N263 VanDerWaalsContact O-N 3.14Å; N263-N265 VanDerWaalsContact C-N 3.31Å; N263-N265 PolarHBondContact O-N 3.01Å
264N27.6Very low27.9Very low158 Ų158131.2 Ų131.285%0.84575%0.749SS**  trans-59.195.4156.2-68.6-29.5000107.5
265N25.6Very low29.1Very low143 Ų143128.5 Ų128.577%0.76575%0.747SS**  trans-162.9118.6157.9-98.2-21000110N263N263-N265 VanDerWaalsContact C-N 3.31Å; N263-N265 PolarHBondContact O-N 3.01Å
266S24.5Very low30.7Very low88 Ų88124.4 Ų124.462%0.61572%0.722SS**  trans75.289.6145.4-36.90000118S268S266-S268 PolarHBondContact O-N 2.98Å; S266-S268 PolarHBondContact O-OG 2.92Å
267N25.8Very low33.2Very low176 Ų176124.3 Ų124.394%0.94172%0.722SS**  34.628.6113.1-73.2-10.1000121.3
268S27.5Very low36.1Very low105 Ų105119.6 Ų119.673%0.73471%0.706SS**  trans-129.25.7178.259.70000116.1S266 A270S266-S268 PolarHBondContact O-N 2.98Å; S266-S268 PolarHBondContact O-OG 2.92Å; S268-A270 PolarHBondContact O-N 2.87Å
269E28.4Very low39.1Very low196 Ų196115.9 Ų115.992%0.91668%0.684SS**SBendtrans-85.857.7148.4-81.9-171150.900108.9V271E269-V271 VanDerWaalsContact C-N 3.34Å; E269-V271 PolarHBondContact O-N 3.33Å
270A26Very low42.4Very low69 Ų69114.8 Ų114.857%0.5766%0.661SS**  trans-60.6100.217300000108.2S268 M272S268-A270 PolarHBondContact O-N 2.87Å; A270-M272 VanDerWaalsContact C-N 3.3Å; A270-M272 WeakPolarHBondContact O-CG 3.47Å; A270-M272 PolarHBondContact O-N 2.85Å
271V28.2Very low45.6Very low123 Ų123108 Ų10875%0.74563%0.625SS**  trans-2.484.1139.6-176.30000110.7E269 K273E269-V271 VanDerWaalsContact C-N 3.34Å; E269-V271 PolarHBondContact O-N 3.33Å; V271-K273 HydrophobicContact CG1-CG 4.41Å; V271-K273 PolarHBondContact O-N 2.87Å
272M31.5Very low48.8Very low132 Ų132102.1 Ų102.165%0.6559%0.592SS**  trans-79.782.1176.5-85.3-167.5174.500107.8K244 A270 T274K244-M272 HydrophobicContact CD-SD 3.78Å; K244-M272 WeakPolarHBondContact CE-SD 3.33Å; K244-M272 PolarHBondContact NZ-SD 3Å; A270-M272 VanDerWaalsContact C-N 3.3Å; A270-M272 WeakPolarHBondContact O-CG 3.47Å; A270-M272 PolarHBondContact O-N 2.85Å; M272-T274 PolarHBondContact O-N 3.19Å
273K34.2Very low51.9Low185 Ų18595.8 Ų95.880%0.80456%0.561SS**  trans-54.675.9145.4-74.9179.7177.3177.80107.8V271 A275V271-K273 HydrophobicContact CG1-CG 4.41Å; V271-K273 PolarHBondContact O-N 2.87Å; K273-A275 PolarHBondContact O-N 3.3Å
274T45Very low55.1Low59 Ų5992.3 Ų92.336%0.36255%0.545SS..  trans-74.486.1153.3-27.30000103.1V241 M272 V276V241-T274 HydrophobicContact CG2-CG2 3.88Å; M272-T274 PolarHBondContact O-N 3.19Å; T274-V276 HydrophobicContact CG2-CG2 4.06Å; T274-V276 PolarHBondContact O-N 3.06Å
275A49.7Very low58.2Low93 Ų9385.2 Ų85.277%0.76951%0.507SS*.  trans-6626.4-175.800000113.1K273 S277K273-A275 PolarHBondContact O-N 3.3Å; A275-S277 PolarHBondContact O-N 2.85Å
276V60.8Low61.4Low34 Ų3485.2 Ų85.221%0.20650%0.502CS..  trans-9893.5-174.2-176.10000106.7F229 A231 S233 T274 G278F229-V276 HydrophobicContact CE1-CG1 3.92Å; F229-V276 HydrophobicContact CZ-CG1 3.98Å; A231-V276 HydrophobicContact CB-CG1 4.03Å; S233-V276 WeakPolarHBondContact OG-CG1 3.34Å; T274-V276 HydrophobicContact CG2-CG2 4.06Å; T274-V276 PolarHBondContact O-N 3.06Å; V276-G278 PolarHBondContact O-N 3.06Å; V276-G278 VanDerWaalsContact O-N 3.14Å
277S79Confident64.5Low104 Ų10484.2 Ų84.273%0.72749%0.485SS*.  trans-59115.5171.5-59.60000109.3P232 A275P232-S277 WeakPolarHBondContact CD-O 3.24Å; A275-S277 PolarHBondContact O-N 2.85Å
278G86Confident67.5Low39 Ų3983.4 Ų83.440%0.40247%0.47SS..  trans-168.8168.2179.900000111.5T230 V276T230-G278 CarbonylContact O-C 3.56Å; T230-G278 WeakPolarHBondContact O-CA 3.35Å; V276-G278 PolarHBondContact O-N 3.06Å; V276-G278 VanDerWaalsContact O-N 3.14Å
279T90.1Very high70.3Confident67 Ų6782.4 Ų82.441%0.41146%0.456SS..EExtended strand (participates in β ladder)trans-102.4115.9-179.954.70000110F229 T230F229-T279 WeakPolarHBondContact CA-O 3.37Å; F229-T279 WeakPolarHBondContact CD2-O 3.19Å; T230-T279 PolarHBondContact N-O 3.3Å; T230-T279 PolarHBondContact O-N 2.79Å
280L91.6Very high73Confident48 Ų4877 Ų7725%0.25143%0.431SS..EExtended strand (participates in β ladder)trans-98.8117.5173.8-177.364000109.7F229 V241 L242 K282F229-L280 HydrophobicContact CB-CD1 4Å; F229-L280 HydrophobicContact CD2-CB 3.81Å; F229-L280 HydrophobicContact CD2-CD1 4.15Å; F229-L280 HydrophobicContact CE2-CB 4.33Å; F229-L280 HydrophobicContact CG-CD1 4.46Å; V241-L280 HydrophobicContact CG1-CD1 4.44Å; L242-L280 HydrophobicContact CD2-CD1 4.48Å; L280-K282 HydrophobicContact CG-CG 4.37Å
281L94Very high76.1Confident11 Ų1175.8 Ų75.86%0.05842%0.415CS..EExtended strand (participates in β ladder)trans-105.7141.9170.4-50.9179.4000108.8S227 M228 L297 H298 Q299 F326S227-L281 WeakPolarHBondContact CA-O 3.41Å; M228-L281 HydrophobicContact CB-CB 4.39Å; M228-L281 PolarHBondContact N-O 3.48Å; M228-L281 PolarHBondContact O-N 3.08Å; L281-L297 HydrophobicContact CB-CB 4.08Å; L281-L297 HydrophobicContact CB-CD1 4.35Å; L281-L297 HydrophobicContact CB-CD2 4.38Å; L281-L297 HydrophobicContact CD1-CB 4.44Å; L281-L297 HydrophobicContact CD1-CD1 4.41Å; L281-H298 WeakPolarHBondContact CA-O 3.27Å; L281-Q299 HydrophobicContact CD2-CB 3.68Å; L281-Q299 HydrophobicContact CD2-CG 4.12Å; L281-F326 HydrophobicContact CD1-CD2 3.91Å; L281-F326 HydrophobicContact CD1-CE2 4.17Å; L281-F326 HydrophobicContact CD1-CG 4.15Å; L281-F326 HydrophobicContact CD2-CD2 4.2Å; L281-F326 HydrophobicContact CD2-CE2 3.82Å; L281-F326 HydrophobicContact CD2-CZ 4.47Å
282K93Very high79.3Confident28 Ų2870.2 Ų70.212%0.12238%0.381CS..EExtended strand (participates in β ladder)trans-134.8160.4170-49.9172.1173.21770110.1I226 S245 S248 L280 H298 F300I226-K282 VanDerWaalsContact O-CA 3.28Å; I226-K282 WeakPolarHBondContact O-CA 3.47Å; S245-K282 VanDerWaalsContact O-CE 3.27Å; S245-K282 WeakPolarHBondContact O-CE 3.06Å; S245-K282 PolarHBondContact O-NZ 2.82Å; S248-K282 PolarHBondContact OG-NZ 3.22Å; L280-K282 HydrophobicContact CG-CG 4.37Å; K282-H298 PolarHBondContact N-O 2.93Å; K282-H298 PolarHBondContact O-N 2.91Å; K282-F300 HydrophobicContact CB-CD2 3.93Å; K282-F300 HydrophobicContact CB-CE2 3.54Å; K282-F300 HydrophobicContact CB-CZ 4.43Å; K282-F300 HydrophobicContact CD-CD2 4.23Å; K282-F300 HydrophobicContact CD-CE2 4.29Å; K282-F300 HydrophobicContact CG-CD2 4.17Å; K282-F300 HydrophobicContact CG-CE2 4.24Å
283G93.9Very high82.3Confident15 Ų1564 Ų6416%0.15535%0.35CS..EExtended strand (participates in β ladder)trans171-145.1173.600000110.7Q225 I226 T296Q225-G283 CarbonylContact C-O 3.6Å; Q225-G283 VanDerWaalsContact CA-O 3.28Å; Q225-G283 WeakPolarHBondContact CA-O 3.28Å; I226-G283 PolarHBondContact N-O 2.88Å; I226-G283 PolarHBondContact O-N 2.78Å; G283-T296 CarbonylContact C-O 3.17Å; G283-T296 VanDerWaalsContact CA-O 3.25Å; G283-T296 WeakPolarHBondContact CA-O 3.27Å
284T94.2Very high85.3Confident65 Ų6556.8 Ų56.840%0.39932%0.322SS..EExtended strand (participates in β ladder)trans-117.3160-174.655.40000111.2N224 I226 C295 T296N224-T284 VanDerWaalsContact O-CA 3.31Å; N224-T284 WeakPolarHBondContact O-CA 3.4Å; I226-T284 WeakPolarHBondContact CG2-O 3.31Å; T284-C295 WeakPolarHBondContact O-CA 3.31Å; T284-T296 PolarHBondContact N-O 2.84Å; T284-T296 PolarHBondContact O-N 2.97Å
285Y94Very high87.8Confident9 Ų954 Ų544%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-131.9148.2170.572.8-85.5000110V181 Y183 F219 N224 Q225 I226 V294V181-Y285 HydrophobicContact CG2-CE2 4.35Å; Y183-Y285 WeakPolarHBondContact CE1-OH 3.49Å; Y183-Y285 PolarHBondContact OH-OH 2.84Å; F219-Y285 HydrophobicContact CB-CE1 4.33Å; F219-Y285 AromaticContact CD1-CD1 3.67Å; F219-Y285 HydrophobicContact CD1-CD1 3.67Å; F219-Y285 HydrophobicContact CD1-CD2 4.07Å; F219-Y285 AromaticContact CD1-CE1 3.85Å; F219-Y285 HydrophobicContact CD1-CE1 3.85Å; F219-Y285 HydrophobicContact CD1-CE2 4.26Å; F219-Y285 AromaticContact CD1-CG 3.78Å; F219-Y285 HydrophobicContact CD1-CG 3.78Å; F219-Y285 HydrophobicContact CE1-CD1 4.29Å; F219-Y285 HydrophobicContact CE1-CD2 4.32Å; F219-Y285 HydrophobicContact CE1-CG 4.01Å; N224-Y285 VanDerWaalsContact C-CE1 3.46Å; N224-Y285 PolarHBondContact O-N 3.04Å; N224-Y285 VanDerWaalsContact O-N 3.17Å; Q225-Y285 WeakPolarHBondContact O-CE1 3.27Å; I226-Y285 HydrophobicContact CB-CD1 4.18Å; Y285-V294 CarbonylContact C-O 3.59Å; Y285-V294 VanDerWaalsContact CA-O 3.24Å; Y285-V294 WeakPolarHBondContact CA-O 3.37Å
286E91.7Very high90Very high143 Ų14351.7 Ų51.767%0.66828%0.281SS*.EExtended strand (participates in β ladder)trans-137.9154.5177.9-64.6-175.5171.200109.9I293 V294E286-I293 CarbonylContact O-C 3.54Å; E286-I293 WeakPolarHBondContact O-CA 3.4Å; E286-V294 PolarHBondContact N-O 2.78Å; E286-V294 PolarHBondContact O-N 2.83Å
287W90Very high91.7Very high68 Ų6850 Ų5026%0.25827%0.271SS..EExtended strand (participates in β ladder)trans-77.1125174.5-74.395000109.6W143 P179 I293 I332W143-W287 AromaticContact CD1-CD1 3.97Å; W143-W287 AromaticContact CD1-CE2 3.71Å; W143-W287 AromaticContact CD1-NE1 3.48Å; W143-W287 AromaticContact NE1-CE2 3.38Å; W143-W287 AromaticContact NE1-CZ2 3.31Å; W143-W287 VanDerWaalsContact NE1-CZ2 3.31Å; W143-W287 AromaticContact NE1-NE1 3.56Å; P179-W287 WeakPolarHBondContact O-CH2 3.38Å; W287-I293 HydrophobicContact CD2-CG2 3.77Å; W287-I293 HydrophobicContact CE3-CG2 3.56Å; W287-I293 HydrophobicContact CG-CG2 4.46Å; W287-I293 HydrophobicContact CH2-CG2 4.02Å; W287-I293 HydrophobicContact CZ2-CG2 4.21Å; W287-I293 HydrophobicContact CZ3-CG2 3.7Å; W287-I332 HydrophobicContact CH2-CD1 3.35Å; W287-I332 HydrophobicContact CZ2-CD1 4.4Å; W287-I332 HydrophobicContact CZ3-CD1 3.66Å
288Y88.7Confident92.4Very high159 Ų15948.6 Ų48.662%0.62425%0.253SS*.EExtended strand (participates in β ladder)trans-92.6-40.8174.8178.3-90.1000111.5S292 V294 K329Y288-S292 PolarHBondContact N-O 2.82Å; Y288-V294 HydrophobicContact CD2-CG2 3.97Å; Y288-V294 HydrophobicContact CG-CG2 4.06Å; Y288-K329 HydrophobicContact CD1-CD 4.32Å; Y288-K329 HydrophobicContact CG-CD 4.44Å
289D86.4Confident92.3Very high83 Ų8352.4 Ų52.444%0.44426%0.26SS..EExtended strand (participates in β ladder)trans-148.4-178.5178.2-163.80.4000109.5D291 S292D289-D291 PolarHBondContact O-N 3.16Å; D289-S292 PolarHBondContact N-O 3.35Å; D289-S292 VanDerWaalsContact N-O 3.12Å; D289-S292 PolarHBondContact O-N 3.34Å
290H85.7Confident91.3Very high84 Ų8454.9 Ų54.939%0.38927%0.266SS..THydrogen-bonded Turntrans-57.6-31.2-177.3-67.7-58.5000114.8M166 P179M166-H290 WeakPolarHBondContact CE-CE1 3.23Å; P179-H290 WeakPolarHBondContact CB-O 2.82Å
291D91.2Very high89.7Confident43 Ų4357 Ų5723%0.2328%0.282CS..THydrogen-bonded Turntrans-120.25.9-178.869.45.6000113.5P179 D289 K331 I332P179-D291 HydrophobicContact CB-CB 4.15Å; P179-D291 HydrophobicContact CG-CB 3.85Å; D289-D291 PolarHBondContact O-N 3.16Å; D291-K331 WeakPolarHBondContact OD2-CE 3.14Å; D291-K331 IonicContact OD2-NZ 3.5Å; D291-K331 PolarHBondContact OD2-NZ 3.31Å; D291-I332 PolarHBondContact O-N 2.8Å
292S94.7Very high87.7Confident6 Ų661.2 Ų61.24%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-131.6135.6-168.3-64.90000112.1Y288 D289 F330Y288-S292 PolarHBondContact N-O 2.82Å; D289-S292 PolarHBondContact N-O 3.35Å; D289-S292 VanDerWaalsContact N-O 3.12Å; D289-S292 PolarHBondContact O-N 3.34Å; S292-F330 CarbonylContact C-O 3.51Å; S292-F330 VanDerWaalsContact CA-O 3.29Å; S292-F330 WeakPolarHBondContact CA-O 3.37Å
293I94.9Very high85.5Confident0 Ų068.5 Ų68.50%034%0.336CS..EExtended strand (participates in β ladder)trans-122.4145179.961.9-178000110V181 F219 E286 W287 K329 F330 I332 L343V181-I293 HydrophobicContact CG1-CD1 3.42Å; V181-I293 VanDerWaalsContact CG1-CD1 3.42Å; V181-I293 HydrophobicContact CG1-CG2 4.44Å; F219-I293 HydrophobicContact CE1-CD1 3.54Å; F219-I293 HydrophobicContact CE2-CD1 4.49Å; F219-I293 HydrophobicContact CZ-CD1 3.46Å; F219-I293 VanDerWaalsContact CZ-CD1 3.46Å; E286-I293 CarbonylContact O-C 3.54Å; E286-I293 WeakPolarHBondContact O-CA 3.4Å; W287-I293 HydrophobicContact CD2-CG2 3.77Å; W287-I293 HydrophobicContact CE3-CG2 3.56Å; W287-I293 HydrophobicContact CG-CG2 4.46Å; W287-I293 HydrophobicContact CH2-CG2 4.02Å; W287-I293 HydrophobicContact CZ2-CG2 4.21Å; W287-I293 HydrophobicContact CZ3-CG2 3.7Å; I293-K329 CarbonylContact O-C 3.47Å; I293-K329 VanDerWaalsContact O-CA 3.31Å; I293-K329 WeakPolarHBondContact O-CA 3.35Å; I293-F330 HydrophobicContact CD1-CB 4.21Å; I293-F330 HydrophobicContact CG1-CB 3.81Å; I293-F330 HydrophobicContact CG1-CD2 4.49Å; I293-F330 PolarHBondContact N-O 3.07Å; I293-F330 PolarHBondContact O-N 3.14Å; I293-I332 HydrophobicContact CG2-CD1 4.27Å; I293-L343 HydrophobicContact CD1-CD2 4.38Å
294V96.5Very high83.2Confident34 Ų3476.2 Ų76.221%0.20637%0.368CS..EExtended strand (participates in β ladder)trans-111.9132.3172.8172.10000108.5Y285 E286 Y288 T327 I328 K329Y285-V294 CarbonylContact C-O 3.59Å; Y285-V294 VanDerWaalsContact CA-O 3.24Å; Y285-V294 WeakPolarHBondContact CA-O 3.37Å; E286-V294 PolarHBondContact N-O 2.78Å; E286-V294 PolarHBondContact O-N 2.83Å; Y288-V294 HydrophobicContact CD2-CG2 3.97Å; Y288-V294 HydrophobicContact CG-CG2 4.06Å; V294-T327 HydrophobicContact CG1-CG2 3.87Å; V294-I328 CarbonylContact C-O 3.44Å; V294-K329 HydrophobicContact CG2-CB 4.08Å; V294-K329 HydrophobicContact CG2-CD 4.08Å; V294-K329 HydrophobicContact CG2-CG 3.82Å
295C97.2Very high80.4Confident0 Ų079.4 Ų79.40%038%0.383CS..EExtended strand (participates in β ladder)trans-116.1124.2-178.4-560000108.6I226 T284 T327 I328I226-C295 HydrophobicContact CD1-CB 3.79Å; I226-C295 WeakPolarHBondContact CD1-SG 3.39Å; I226-C295 HydrophobicContact CG2-CB 4.46Å; T284-C295 WeakPolarHBondContact O-CA 3.31Å; C295-T327 WeakPolarHBondContact O-CA 3.42Å; C295-I328 HydrophobicContact CB-CB 4.46Å; C295-I328 PolarHBondContact N-O 2.84Å; C295-I328 PolarHBondContact O-N 3.02Å
296T97.2Very high77.7Confident45 Ų4587.6 Ų87.628%0.27641%0.414SS..EExtended strand (participates in β ladder)trans-106.7111.3174.6-57.20000107.9G283 T284 T325G283-T296 CarbonylContact C-O 3.17Å; G283-T296 VanDerWaalsContact CA-O 3.25Å; G283-T296 WeakPolarHBondContact CA-O 3.27Å; T284-T296 PolarHBondContact N-O 2.84Å; T284-T296 PolarHBondContact O-N 2.97Å; T296-T325 HydrophobicContact CG2-CG2 3.58Å
297L96.4Very high75.1Confident0 Ų085.3 Ų85.30%041%0.411CS..EExtended strand (participates in β ladder)trans-118.6147.1-171.7-69.5171.8000111I226 M228 L281 F326 I328I226-L297 HydrophobicContact CB-CD2 4.41Å; I226-L297 HydrophobicContact CG1-CD2 4.3Å; I226-L297 HydrophobicContact CG2-CD2 3.55Å; I226-L297 HydrophobicContact CG2-CG 4.41Å; M228-L297 HydrophobicContact CB-CD1 3.89Å; M228-L297 HydrophobicContact CE-CD1 3.79Å; M228-L297 HydrophobicContact SD-CD1 4.09Å; L281-L297 HydrophobicContact CB-CB 4.08Å; L281-L297 HydrophobicContact CB-CD1 4.35Å; L281-L297 HydrophobicContact CB-CD2 4.38Å; L281-L297 HydrophobicContact CD1-CB 4.44Å; L281-L297 HydrophobicContact CD1-CD1 4.41Å; L297-F326 HydrophobicContact CB-CB 4.17Å; L297-F326 PolarHBondContact N-O 3.19Å; L297-F326 WeakPolarHBondContact O-CD2 3.35Å; L297-F326 PolarHBondContact O-N 3.34Å; L297-I328 HydrophobicContact CD1-CD1 3.86Å
298H92.9Very high72.8Confident73 Ų7387.8 Ų87.834%0.33844%0.439SS..EExtended strand (participates in β ladder)trans-130.9148.7175.6-53.7-78.8000110.3L281 K282 T325L281-H298 WeakPolarHBondContact CA-O 3.27Å; K282-H298 PolarHBondContact N-O 2.93Å; K282-H298 PolarHBondContact O-N 2.91Å; H298-T325 VanDerWaalsContact CE1-CG2 3.45Å; H298-T325 WeakPolarHBondContact CE1-CG2 3.47Å; H298-T325 PolarHBondContact CE1-OG1 2.9Å; H298-T325 PolarHBondContact ND1-OG1 3.12Å
299Q84.7Confident70.7Confident119 Ų11986.7 Ų86.756%0.55644%0.443SS*.EExtended strand (participates in β ladder)trans-80.8120.1171.5-170.7173.83.400109.2L281 F326L281-Q299 HydrophobicContact CD2-CB 3.68Å; L281-Q299 HydrophobicContact CD2-CG 4.12Å; Q299-F326 HydrophobicContact CB-CE2 4.47Å
300F68.4Low68.6Low120 Ų12093.9 Ų93.953%0.52646%0.464SS..PPolyproline II helixtrans-84.9125172.9-74.4-96.2000108.6K282 D302K282-F300 HydrophobicContact CB-CD2 3.93Å; K282-F300 HydrophobicContact CB-CE2 3.54Å; K282-F300 HydrophobicContact CB-CZ 4.43Å; K282-F300 HydrophobicContact CD-CD2 4.23Å; K282-F300 HydrophobicContact CD-CE2 4.29Å; K282-F300 HydrophobicContact CG-CD2 4.17Å; K282-F300 HydrophobicContact CG-CE2 4.24Å; F300-D302 PolarHBondContact O-N 2.82Å
301P57.6Low66.4Low91 Ų91101.5 Ų101.559%0.59149%0.489SS*.PPolyproline II helixtrans-62.9129.1170.824.3-30000108.4K303P301-K303 PolarHBondContact O-N 2.78Å
302D51.5Low64Low100 Ų100110.7 Ų110.754%0.53552%0.52SS..  trans-59.4100.3173.1-179.96.2000108.9F300 Q304 N305F300-D302 PolarHBondContact O-N 2.82Å; D302-Q304 PolarHBondContact O-N 2.8Å; D302-Q304 PolarHBondContact OD1-N 2.79Å; D302-N305 PolarHBondContact OD2-ND2 3.03Å
303K48.3Very low61.6Low181 Ų181119.3 Ų119.379%0.78756%0.56SS**SBendtrans-75.8-6.5-179.9-73.8-173.6179.6179.70112.5P301P301-K303 PolarHBondContact O-N 2.78Å
304Q44.3Very low59.1Low178 Ų178127.4 Ų127.483%0.83260%0.597SS**SBendtrans-100.5-15.1-173.6-65.7-169-100114.6D302 R306D302-Q304 PolarHBondContact O-N 2.8Å; D302-Q304 PolarHBondContact OD1-N 2.79Å; Q304-R306 VanDerWaalsContact C-N 3.3Å; Q304-R306 PolarHBondContact O-N 3.06Å
305N37.1Very low56.7Low131 Ų131132.9 Ų132.970%0.70162%0.624SS**  trans-89.320.2171.9-90.9-41.9000114.4D302 P307D302-N305 PolarHBondContact OD2-ND2 3.03Å; N305-P307 WeakPolarHBondContact O-CD 3.5Å
306R36.7Very low54.2Low181 Ų181135.8 Ų135.868%0.68365%0.654SS**SBendtrans-77.9109.3159.5-72.9-170.8-178.2-168.5-0.1106.5Q304 S308Q304-R306 VanDerWaalsContact C-N 3.3Å; Q304-R306 PolarHBondContact O-N 3.06Å; R306-S308 PolarHBondContact O-N 3.19Å
307P35.9Very low51.8Low96 Ų96138.2 Ų138.262%0.62367%0.671SS**  trans-51143.8166.120.6-29.1000107.3N305 I309N305-P307 WeakPolarHBondContact O-CD 3.5Å; P307-I309 HydrophobicContact CG-CD1 4.42Å; P307-I309 HydrophobicContact CG-CG1 4.08Å; P307-I309 PolarHBondContact O-N 3.44Å
308S42.9Very low49.6Very low120 Ų120143.9 Ų143.984%0.83971%0.705SS**  trans-62.476168.947.10000108.3R306 R310R306-S308 PolarHBondContact O-N 3.19Å; S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 3.31Å
309I44.4Very low47.8Very low136 Ų136145.6 Ų145.670%0.69772%0.716SS**  trans-64.3102.4171.1-64.6175.4000103.7P307 R311P307-I309 HydrophobicContact CG-CD1 4.42Å; P307-I309 HydrophobicContact CG-CG1 4.08Å; P307-I309 PolarHBondContact O-N 3.44Å; I309-R311 PolarHBondContact O-N 2.9Å
310R42.5Very low46.6Very low234 Ų234144.1 Ų144.188%0.88372%0.717SS**  trans-43.7116.2169.7-74.3-178.6173.3-168.3-2106.8S308 R312S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 3.31Å; R310-R312 PolarHBondContact O-N 2.86Å
311R38.6Very low46.8Very low244 Ų244142.9 Ų142.992%0.92171%0.712SS**  trans-39.298-174.4-69.9175.9173.1165.4-3.1111I309I309-R311 PolarHBondContact O-N 2.9Å
312R41.4Very low48.1Very low236 Ų236143.4 Ų143.489%0.89171%0.71SS**  trans-96.1113.5149.2-93.5-174.4166-173.1-3.7105.7R310 H314R310-R312 PolarHBondContact O-N 2.86Å; R312-H314 PolarHBondContact O-N 2.97Å
313Q43.6Very low49.8Very low187 Ų187141.1 Ų141.187%0.87470%0.7SS**  trans-61.298.1176.2-64.3166-17.400108.7
314H42.6Very low51.9Low170 Ų170134.8 Ų134.879%0.78768%0.676SS**  trans-171.1132.6152.1-132.7-103000110.6R312R312-H314 PolarHBondContact O-N 2.97Å
315L46.5Very low54.3Low148 Ų148127.9 Ų127.978%0.77565%0.646SS**  trans69.5108.7-180-61.8110.1000116.1
316G44.9Very low57.2Low61 Ų61123 Ų12363%0.62962%0.618SS**  trans-55.8161.2166.800000111.8V318G316-V318 PolarHBondContact O-N 3.47Å
317P47Very low60.1Low96 Ų96115.8 Ų115.862%0.62360%0.595SS**  trans-60113-17624.9-32.1000109.6I319P317-I319 PolarHBondContact O-N 3.25Å
318V49.3Very low63Low119 Ų119111.2 Ų111.272%0.72157%0.565SS**  trans-55.4107.3166.6179.90000106.4G316G316-V318 PolarHBondContact O-N 3.47Å
319I55.4Low65.6Low110 Ų110107.1 Ų107.156%0.56453%0.532SS*.  trans-60.4133.5174.9-62.5169.5000106.5P317 Q321P317-I319 PolarHBondContact O-N 3.25Å; I319-Q321 PolarHBondContact O-N 3.15Å; I319-Q321 VanDerWaalsContact O-N 3.07Å
320P60.2Low68.2Low88 Ų88100.6 Ų100.657%0.57150%0.499SS*.  trans-55.4119.4171.9-19.929.9000109.2L322P320-L322 VanDerWaalsContact C-N 3.26Å; P320-L322 PolarHBondContact O-N 2.84Å
321Q72.1Confident70.8Confident93 Ų9393.6 Ų93.644%0.43548%0.475SS..SBendtrans-72.6-22.5-178-63.9-65.3-7.700112I319 K355I319-Q321 PolarHBondContact O-N 3.15Å; I319-Q321 VanDerWaalsContact O-N 3.07Å; Q321-K355 WeakPolarHBondContact O-CB 2.86Å; Q321-K355 PolarHBondContact O-N 3.5Å
322L84.1Confident73.5Confident102 Ų10282.5 Ų82.553%0.53443%0.434SS..EExtended strand (participates in β ladder)trans-99.8127.2178-65.7165.2000111P320 T352 F353 D354P320-L322 VanDerWaalsContact C-N 3.26Å; P320-L322 PolarHBondContact O-N 2.84Å; L322-T352 HydrophobicContact CD2-CG2 4.05Å; L322-F353 WeakPolarHBondContact CA-O 3.04Å; L322-D354 HydrophobicContact CD2-CB 3.69Å
323T88.3Confident76Confident53 Ų5371.8 Ų71.833%0.32540%0.397SS..EExtended strand (participates in β ladder)trans-110.3126.9167.850.50000109.8F353T323-F353 PolarHBondContact N-O 2.86Å; T323-F353 PolarHBondContact O-N 2.8Å; T323-F353 WeakPolarHBondContact OG1-CB 3.35Å; T323-F353 WeakPolarHBondContact OG1-CD1 3.1Å; T323-F353 PolarHBondContact OG1-O 2.7Å
324V92.1Very high78.4Confident47 Ų4766.4 Ų66.429%0.28537%0.374SS..EExtended strand (participates in β ladder)trans-114.3128-179.4-1750000109.6F326 I350 H351 T352V324-F326 HydrophobicContact CB-CE2 4.34Å; V324-F326 HydrophobicContact CB-CZ 4.4Å; V324-F326 HydrophobicContact CG1-CD2 4.35Å; V324-F326 HydrophobicContact CG1-CE1 3.97Å; V324-F326 HydrophobicContact CG1-CE2 3.72Å; V324-F326 HydrophobicContact CG1-CZ 3.51Å; V324-I350 HydrophobicContact CG1-CG2 3.49Å; V324-I350 VanDerWaalsContact CG1-CG2 3.49Å; V324-H351 WeakPolarHBondContact CA-O 3.16Å; V324-T352 HydrophobicContact CG2-CG2 4.29Å
325T95.1Very high80.7Confident33 Ų3361 Ų6120%0.20235%0.348CS..EExtended strand (participates in β ladder)trans-121.7126.7178-57.80000108.9T296 H298 I350 H351T296-T325 HydrophobicContact CG2-CG2 3.58Å; H298-T325 VanDerWaalsContact CE1-CG2 3.45Å; H298-T325 WeakPolarHBondContact CE1-CG2 3.47Å; H298-T325 PolarHBondContact CE1-OG1 2.9Å; H298-T325 PolarHBondContact ND1-OG1 3.12Å; T325-I350 WeakPolarHBondContact O-CA 3.44Å; T325-H351 PolarHBondContact N-O 3.42Å; T325-H351 PolarHBondContact O-N 2.87Å
326F97Very high82.7Confident28 Ų2864.5 Ų64.512%0.12335%0.351CS..EExtended strand (participates in β ladder)trans-104.1112.7179.2-51.1-96.4000108.4L281 L297 Q299 V324 Y348 I350L281-F326 HydrophobicContact CD1-CD2 3.91Å; L281-F326 HydrophobicContact CD1-CE2 4.17Å; L281-F326 HydrophobicContact CD1-CG 4.15Å; L281-F326 HydrophobicContact CD2-CD2 4.2Å; L281-F326 HydrophobicContact CD2-CE2 3.82Å; L281-F326 HydrophobicContact CD2-CZ 4.47Å; L297-F326 HydrophobicContact CB-CB 4.17Å; L297-F326 PolarHBondContact N-O 3.19Å; L297-F326 WeakPolarHBondContact O-CD2 3.35Å; L297-F326 PolarHBondContact O-N 3.34Å; Q299-F326 HydrophobicContact CB-CE2 4.47Å; V324-F326 HydrophobicContact CB-CE2 4.34Å; V324-F326 HydrophobicContact CB-CZ 4.4Å; V324-F326 HydrophobicContact CG1-CD2 4.35Å; V324-F326 HydrophobicContact CG1-CE1 3.97Å; V324-F326 HydrophobicContact CG1-CE2 3.72Å; V324-F326 HydrophobicContact CG1-CZ 3.51Å; F326-Y348 HydrophobicContact CB-CE1 4.17Å; F326-Y348 AromaticContact CD1-CE1 3.89Å; F326-Y348 HydrophobicContact CD1-CE1 3.89Å; F326-Y348 WeakPolarHBondContact CD1-OH 3.44Å; F326-I350 HydrophobicContact CD1-CD1 4.15Å; F326-I350 HydrophobicContact CD1-CG1 3.88Å; F326-I350 HydrophobicContact CD1-CG2 4.21Å; F326-I350 HydrophobicContact CE1-CD1 4.11Å; F326-I350 HydrophobicContact CE1-CG1 4.28Å; F326-I350 HydrophobicContact CE1-CG2 4.19Å
327T97.6Very high84.6Confident30 Ų3065 Ų6518%0.18436%0.356CS..EExtended strand (participates in β ladder)trans-101.7110.8176.8-54.70000108.5V294 C295 V349 H351V294-T327 HydrophobicContact CG1-CG2 3.87Å; C295-T327 WeakPolarHBondContact O-CA 3.42Å; T327-V349 PolarHBondContact N-O 2.86Å; T327-V349 PolarHBondContact O-N 3.07Å; T327-H351 PolarHBondContact OG1-CD2 2.85Å
328I97.9Very high86.6Confident0 Ų063.7 Ų63.70%035%0.349CS..EExtended strand (participates in β ladder)trans-122.5123.4-173.1-51.9176.6000109.2M228 V294 C295 L297 F330 W345 S347 Y348M228-I328 HydrophobicContact CE-CD1 3.57Å; M228-I328 HydrophobicContact SD-CD1 4.09Å; V294-I328 CarbonylContact C-O 3.44Å; C295-I328 HydrophobicContact CB-CB 4.46Å; C295-I328 PolarHBondContact N-O 2.84Å; C295-I328 PolarHBondContact O-N 3.02Å; L297-I328 HydrophobicContact CD1-CD1 3.86Å; I328-F330 HydrophobicContact CB-CE2 4.21Å; I328-F330 HydrophobicContact CG2-CD2 4.11Å; I328-F330 HydrophobicContact CG2-CE1 4.05Å; I328-F330 HydrophobicContact CG2-CE2 3.49Å; I328-F330 VanDerWaalsContact CG2-CE2 3.49Å; I328-F330 HydrophobicContact CG2-CZ 3.45Å; I328-F330 VanDerWaalsContact CG2-CZ 3.45Å; I328-W345 HydrophobicContact CD1-CZ3 4.32Å; I328-W345 HydrophobicContact CG2-CE3 3.8Å; I328-W345 HydrophobicContact CG2-CZ3 3.6Å; I328-S347 WeakPolarHBondContact CA-O 3.45Å; I328-Y348 HydrophobicContact CD1-CD2 4.1Å; I328-Y348 HydrophobicContact CD1-CE1 4.13Å; I328-Y348 HydrophobicContact CD1-CE2 3.67Å; I328-Y348 HydrophobicContact CG1-CD1 3.97Å; I328-Y348 HydrophobicContact CG1-CD2 4.11Å; I328-Y348 HydrophobicContact CG1-CE1 3.98Å; I328-Y348 HydrophobicContact CG1-CE2 4.11Å; I328-Y348 HydrophobicContact CG1-CG 4.04Å; I328-Y348 HydrophobicContact CG2-CD2 4.49Å
329K97.9Very high88.6Confident34 Ų3460.1 Ų60.115%0.14833%0.325CS..EExtended strand (participates in β ladder)trans-100.9129.2173.9-169.1174.2165.4-149.70110.2Y288 I293 V294 D346 S347Y288-K329 HydrophobicContact CD1-CD 4.32Å; Y288-K329 HydrophobicContact CG-CD 4.44Å; I293-K329 CarbonylContact O-C 3.47Å; I293-K329 VanDerWaalsContact O-CA 3.31Å; I293-K329 WeakPolarHBondContact O-CA 3.35Å; V294-K329 HydrophobicContact CG2-CB 4.08Å; V294-K329 HydrophobicContact CG2-CD 4.08Å; V294-K329 HydrophobicContact CG2-CG 3.82Å; K329-D346 HydrophobicContact CB-CB 4.18Å; K329-D346 HydrophobicContact CD-CB 4.35Å; K329-D346 WeakPolarHBondContact CD-OD2 3.34Å; K329-D346 WeakPolarHBondContact CE-OD2 3.49Å; K329-D346 HydrophobicContact CG-CB 4.03Å; K329-D346 IonicContact NZ-OD2 2.7Å; K329-D346 PolarHBondContact NZ-OD2 3.28Å; K329-D346 PolarHBondContact O-N 2.84Å; K329-S347 WeakPolarHBondContact CB-OG 3.43Å; K329-S347 PolarHBondContact N-O 3.4Å; K329-S347 PolarHBondContact O-N 2.84Å
330F98Very high90.4Very high0 Ų055.1 Ų55.10%030%0.3CS..EExtended strand (participates in β ladder)trans-114.9139.1173.4-65.6-74000110.7I217 M228 S292 I293 I328 L343 L344 W345I217-F330 HydrophobicContact CD1-CE1 4.04Å; I217-F330 HydrophobicContact CD1-CE2 4.03Å; I217-F330 HydrophobicContact CD1-CZ 3.47Å; I217-F330 VanDerWaalsContact CD1-CZ 3.47Å; M228-F330 HydrophobicContact CE-CE2 4.28Å; M228-F330 HydrophobicContact CE-CZ 3.96Å; S292-F330 CarbonylContact C-O 3.51Å; S292-F330 VanDerWaalsContact CA-O 3.29Å; S292-F330 WeakPolarHBondContact CA-O 3.37Å; I293-F330 HydrophobicContact CD1-CB 4.21Å; I293-F330 HydrophobicContact CG1-CB 3.81Å; I293-F330 HydrophobicContact CG1-CD2 4.49Å; I293-F330 PolarHBondContact N-O 3.07Å; I293-F330 PolarHBondContact O-N 3.14Å; I328-F330 HydrophobicContact CB-CE2 4.21Å; I328-F330 HydrophobicContact CG2-CD2 4.11Å; I328-F330 HydrophobicContact CG2-CE1 4.05Å; I328-F330 HydrophobicContact CG2-CE2 3.49Å; I328-F330 VanDerWaalsContact CG2-CE2 3.49Å; I328-F330 HydrophobicContact CG2-CZ 3.45Å; I328-F330 VanDerWaalsContact CG2-CZ 3.45Å; F330-L343 HydrophobicContact CB-CB 4.33Å; F330-L343 HydrophobicContact CB-CD2 4.23Å; F330-L343 HydrophobicContact CD1-CB 3.88Å; F330-L343 HydrophobicContact CE1-CB 4.5Å; F330-L343 HydrophobicContact CG-CB 4.24Å; F330-L343 HydrophobicContact CG-CD1 4.45Å; F330-L344 CarbonylContact C-O 3.59Å; F330-L344 VanDerWaalsContact CA-O 3.25Å; F330-L344 WeakPolarHBondContact CA-O 3.26Å; F330-W345 HydrophobicContact CD1-CD2 4.36Å; F330-W345 HydrophobicContact CD1-CE3 4.45Å; F330-W345 AromaticContact CE1-CD2 3.58Å; F330-W345 HydrophobicContact CE1-CD2 3.58Å; F330-W345 AromaticContact CE1-CE2 3.78Å; F330-W345 AromaticContact CE1-CE3 3.55Å; F330-W345 HydrophobicContact CE1-CE3 3.55Å; F330-W345 HydrophobicContact CE1-CG 4.23Å; F330-W345 AromaticContact CE1-CH2 3.92Å; F330-W345 HydrophobicContact CE1-CH2 3.92Å; F330-W345 AromaticContact CE1-CZ2 3.95Å; F330-W345 HydrophobicContact CE1-CZ2 3.95Å; F330-W345 AromaticContact CE1-CZ3 3.73Å; F330-W345 HydrophobicContact CE1-CZ3 3.73Å; F330-W345 HydrophobicContact CZ-CD2 4.38Å; F330-W345 AromaticContact CZ-CE3 3.96Å; F330-W345 HydrophobicContact CZ-CE3 3.96Å; F330-W345 AromaticContact CZ-CH2 3.82Å; F330-W345 HydrophobicContact CZ-CH2 3.82Å; F330-W345 HydrophobicContact CZ-CZ2 4.25Å; F330-W345 AromaticContact CZ-CZ3 3.67Å; F330-W345 HydrophobicContact CZ-CZ3 3.67Å
331K96.7Very high92Very high86 Ų8652.4 Ų52.437%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-98.6129.7164.8-173.3175.2-165.71690109.7D291 L344D291-K331 WeakPolarHBondContact OD2-CE 3.14Å; D291-K331 IonicContact OD2-NZ 3.5Å; D291-K331 PolarHBondContact OD2-NZ 3.31Å; K331-L344 HydrophobicContact CB-CB 4.24Å; K331-L344 PolarHBondContact N-O 3.34Å; K331-L344 WeakPolarHBondContact O-CB 3.36Å; K331-L344 PolarHBondContact O-N 2.85Å
332I96.3Very high93.1Very high12 Ų1249.2 Ų49.26%0.06227%0.265CS..EExtended strand (participates in β ladder)trans-80.5127.1-179.8-62.5166.5000108.6P179 V181 W287 D291 I293 H340 L343P179-I332 HydrophobicContact CB-CB 4.19Å; P179-I332 HydrophobicContact CB-CD1 4.26Å; P179-I332 HydrophobicContact CB-CG2 4.15Å; V181-I332 HydrophobicContact CG1-CD1 4.12Å; W287-I332 HydrophobicContact CH2-CD1 3.35Å; W287-I332 HydrophobicContact CZ2-CD1 4.4Å; W287-I332 HydrophobicContact CZ3-CD1 3.66Å; D291-I332 PolarHBondContact O-N 2.8Å; I293-I332 HydrophobicContact CG2-CD1 4.27Å; I332-H340 HydrophobicContact CG2-CB 3.82Å; I332-L343 HydrophobicContact CG1-CD2 4.02Å
333G94.2Very high93.8Very high11 Ų1144.4 Ų44.411%0.11324%0.24CC..EExtended strand (participates in β ladder)trans-123.9167.3-178.400000112.9H340 N341 Q342G333-H340 CarbonylContact O-C 3.6Å; G333-H340 WeakPolarHBondContact O-CA 3.41Å; G333-N341 PolarHBondContact O-N 2.91Å; G333-Q342 PolarHBondContact N-O 2.84Å; G333-Q342 PolarHBondContact O-N 3.42Å; G333-Q342 VanDerWaalsContact O-N 3.16Å
334N93.6Very high94.2Very high74 Ų7444.7 Ų44.740%0.39624%0.239SC..EExtended strand (participates in β ladder)trans-116136.9177.3-58.5-20.7000108.9C338 L339 H340N334-C338 WeakPolarHBondContact CA-O 3.31Å; N334-C338 WeakPolarHBondContact CB-O 3.29Å; N334-L339 WeakPolarHBondContact ND2-CD2 3.47Å; N334-H340 PolarHBondContact OD1-N 2.81Å
335K90.6Very high94.5Very high57 Ų5743.9 Ų43.925%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-132.3133177.4179.8166.2-175.6156.70111G337 C338 N341K335-G337 VanDerWaalsContact C-N 3.31Å; K335-G337 PolarHBondContact O-N 2.76Å; K335-C338 PolarHBondContact N-O 2.78Å; K335-C338 WeakPolarHBondContact O-CB 3.46Å; K335-C338 PolarHBondContact O-N 2.85Å; K335-N341 PolarHBondContact N-OD1 2.75Å; K335-N341 PolarHBondContact O-ND2 2.91Å
336R89.2Confident94.5Very high220 Ų22045.9 Ų45.983%0.8324%0.241SC*.THydrogen-bonded Turntrans55.243.8179.5-64.4176.4176178.9-2.8112.4C338R336-C338 PolarHBondContact O-N 2.88Å
337G84.3Confident94.5Very high72 Ų7246.4 Ų46.474%0.74225%0.248SC*.THydrogen-bonded Turntrans70.3-4.1-179.600000115.5K335K335-G337 VanDerWaalsContact C-N 3.31Å; K335-G337 PolarHBondContact O-N 2.76Å
338C88.8Confident94.5Very high69 Ų6946.1 Ų46.147%0.46624%0.244SC..EExtended strand (participates in β ladder)trans-83.7131.5174.9-640000110.2N334 K335 R336 N341N334-C338 WeakPolarHBondContact CA-O 3.31Å; N334-C338 WeakPolarHBondContact CB-O 3.29Å; K335-C338 PolarHBondContact N-O 2.78Å; K335-C338 WeakPolarHBondContact O-CB 3.46Å; K335-C338 PolarHBondContact O-N 2.85Å; R336-C338 PolarHBondContact O-N 2.88Å; C338-N341 HydrophobicContact CB-CB 4.21Å; C338-N341 VanDerWaalsContact CB-ND2 3.33Å; C338-N341 WeakPolarHBondContact CB-ND2 3.41Å; C338-N341 PolarHBondContact O-OD1 2.84Å; C338-N341 VanDerWaalsContact O-OD1 3.07Å
339L91Very high94.5Very high43 Ų4347.4 Ų47.423%0.22525%0.251CS..EExtended strand (participates in β ladder)trans-73.9138.2179.8-70.3174.3000111.6L49 I176 Y177 N334 N341L49-L339 HydrophobicContact CD1-CD2 3.64Å; I176-L339 HydrophobicContact CG2-CD1 3.95Å; I176-L339 WeakPolarHBondContact O-CD1 3.25Å; Y177-L339 HydrophobicContact CD1-CD1 3.81Å; Y177-L339 HydrophobicContact CE1-CD1 4.1Å; N334-L339 WeakPolarHBondContact ND2-CD2 3.47Å; L339-N341 PolarHBondContact O-N 3.47Å
340H93Very high94.4Very high6 Ų647.1 Ų47.13%0.02825%0.251CS..EExtended strand (participates in β ladder)trans5816.6165.8-33.6139.1000115.4I176 Y177 R178 Q180 Y187 I332 G333 N334 Q342I176-H340 PolarHBondContact O-CE1 2.75Å; Y177-H340 PolarHBondContact O-NE2 3.47Å; R178-H340 PolarHBondContact O-CE1 2.75Å; R178-H340 PolarHBondContact O-NE2 2.95Å; Q180-H340 VanDerWaalsContact O-CB 3.24Å; Q180-H340 WeakPolarHBondContact O-CB 3.49Å; Y187-H340 PolarHBondContact OH-O 3.05Å; I332-H340 HydrophobicContact CG2-CB 3.82Å; G333-H340 CarbonylContact O-C 3.6Å; G333-H340 WeakPolarHBondContact O-CA 3.41Å; N334-H340 PolarHBondContact OD1-N 2.81Å; H340-Q342 PolarHBondContact O-N 3.1Å
341N94.6Very high94.3Very high30 Ų3050.6 Ų50.616%0.1627%0.267CS..EExtended strand (participates in β ladder)trans-86.99.5-173.473.6-27.6000113G333 K335 C338 L339 R376 F377G333-N341 PolarHBondContact O-N 2.91Å; K335-N341 PolarHBondContact N-OD1 2.75Å; K335-N341 PolarHBondContact O-ND2 2.91Å; C338-N341 HydrophobicContact CB-CB 4.21Å; C338-N341 VanDerWaalsContact CB-ND2 3.33Å; C338-N341 WeakPolarHBondContact CB-ND2 3.41Å; C338-N341 PolarHBondContact O-OD1 2.84Å; C338-N341 VanDerWaalsContact O-OD1 3.07Å; L339-N341 PolarHBondContact O-N 3.47Å; N341-R376 WeakPolarHBondContact O-CA 3.42Å; N341-F377 HydrophobicContact CB-CB 4.05Å; N341-F377 WeakPolarHBondContact O-CB 3.49Å; N341-F377 PolarHBondContact O-N 2.9Å
342Q95.8Very high94.1Very high27 Ų2748.1 Ų48.113%0.12626%0.259CS..EExtended strand (participates in β ladder)trans-137.7139.7-179.9-165.6173.631.200111.4G333 H340 L344 P374 C375G333-Q342 PolarHBondContact N-O 2.84Å; G333-Q342 PolarHBondContact O-N 3.42Å; G333-Q342 VanDerWaalsContact O-N 3.16Å; H340-Q342 PolarHBondContact O-N 3.1Å; Q342-L344 HydrophobicContact CG-CD2 4.2Å; Q342-P374 HydrophobicContact CG-CB 3.76Å; Q342-C375 CarbonylContact C-O 3.55Å; Q342-C375 VanDerWaalsContact CA-O 3.31Å; Q342-C375 WeakPolarHBondContact CA-O 3.43Å
343L97.7Very high93.9Very high0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-110.1126165.5-59.8173.1000108.8Y187 I217 F219 I293 F330 I332 P374 C375Y187-L343 HydrophobicContact CD1-CB 4.47Å; Y187-L343 HydrophobicContact CD1-CD1 3.82Å; Y187-L343 HydrophobicContact CD1-CG 3.58Å; Y187-L343 HydrophobicContact CD2-CD1 3.67Å; Y187-L343 HydrophobicContact CD2-CG 4.23Å; Y187-L343 HydrophobicContact CE1-CD1 4.25Å; Y187-L343 HydrophobicContact CE1-CD2 4.19Å; Y187-L343 HydrophobicContact CE1-CG 3.73Å; Y187-L343 HydrophobicContact CE2-CD1 4.14Å; Y187-L343 HydrophobicContact CE2-CG 4.39Å; Y187-L343 HydrophobicContact CG-CD1 3.49Å; Y187-L343 VanDerWaalsContact CG-CD1 3.49Å; Y187-L343 HydrophobicContact CG-CG 3.83Å; I217-L343 HydrophobicContact CD1-CD1 4.29Å; F219-L343 HydrophobicContact CE2-CD1 3.82Å; F219-L343 HydrophobicContact CZ-CD1 4.12Å; I293-L343 HydrophobicContact CD1-CD2 4.38Å; F330-L343 HydrophobicContact CB-CB 4.33Å; F330-L343 HydrophobicContact CB-CD2 4.23Å; F330-L343 HydrophobicContact CD1-CB 3.88Å; F330-L343 HydrophobicContact CE1-CB 4.5Å; F330-L343 HydrophobicContact CG-CB 4.24Å; F330-L343 HydrophobicContact CG-CD1 4.45Å; I332-L343 HydrophobicContact CG1-CD2 4.02Å; L343-P374 CarbonylContact O-C 3.59Å; L343-P374 VanDerWaalsContact O-CA 3.26Å; L343-P374 WeakPolarHBondContact O-CA 3.26Å; L343-C375 HydrophobicContact CB-CB 4.24Å; L343-C375 PolarHBondContact N-O 3.1Å; L343-C375 PolarHBondContact O-N 3.25Å
344L97Very high93.6Very high60 Ų6052.1 Ų52.131%0.31428%0.275SS..EExtended strand (participates in β ladder)trans-101.1135174.3-55.8170.5000108F330 K331 Q342 D346 P374F330-L344 CarbonylContact C-O 3.59Å; F330-L344 VanDerWaalsContact CA-O 3.25Å; F330-L344 WeakPolarHBondContact CA-O 3.26Å; K331-L344 HydrophobicContact CB-CB 4.24Å; K331-L344 PolarHBondContact N-O 3.34Å; K331-L344 WeakPolarHBondContact O-CB 3.36Å; K331-L344 PolarHBondContact O-N 2.85Å; Q342-L344 HydrophobicContact CG-CD2 4.2Å; L344-D346 PolarHBondContact O-N 3.04Å; L344-P374 HydrophobicContact CD2-CB 3.84Å; L344-P374 HydrophobicContact CD2-CG 3.66Å
345W97.4Very high93Very high29 Ų2953.5 Ų53.511%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-73.8124.7176.1-5984.2000108.9M228 I328 F330 Y348 L367 F372 P373M228-W345 HydrophobicContact CE-CH2 4.22Å; I328-W345 HydrophobicContact CD1-CZ3 4.32Å; I328-W345 HydrophobicContact CG2-CE3 3.8Å; I328-W345 HydrophobicContact CG2-CZ3 3.6Å; F330-W345 HydrophobicContact CD1-CD2 4.36Å; F330-W345 HydrophobicContact CD1-CE3 4.45Å; F330-W345 AromaticContact CE1-CD2 3.58Å; F330-W345 HydrophobicContact CE1-CD2 3.58Å; F330-W345 AromaticContact CE1-CE2 3.78Å; F330-W345 AromaticContact CE1-CE3 3.55Å; F330-W345 HydrophobicContact CE1-CE3 3.55Å; F330-W345 HydrophobicContact CE1-CG 4.23Å; F330-W345 AromaticContact CE1-CH2 3.92Å; F330-W345 HydrophobicContact CE1-CH2 3.92Å; F330-W345 AromaticContact CE1-CZ2 3.95Å; F330-W345 HydrophobicContact CE1-CZ2 3.95Å; F330-W345 AromaticContact CE1-CZ3 3.73Å; F330-W345 HydrophobicContact CE1-CZ3 3.73Å; F330-W345 HydrophobicContact CZ-CD2 4.38Å; F330-W345 AromaticContact CZ-CE3 3.96Å; F330-W345 HydrophobicContact CZ-CE3 3.96Å; F330-W345 AromaticContact CZ-CH2 3.82Å; F330-W345 HydrophobicContact CZ-CH2 3.82Å; F330-W345 HydrophobicContact CZ-CZ2 4.25Å; F330-W345 AromaticContact CZ-CZ3 3.67Å; F330-W345 HydrophobicContact CZ-CZ3 3.67Å; W345-Y348 HydrophobicContact CE3-CD2 4.08Å; W345-Y348 AromaticContact CZ3-CD2 3.62Å; W345-Y348 HydrophobicContact CZ3-CD2 3.62Å; W345-Y348 AromaticContact CZ3-CE2 3.92Å; W345-Y348 HydrophobicContact CZ3-CE2 3.92Å; W345-L367 HydrophobicContact CB-CD1 3.93Å; W345-L367 HydrophobicContact CB-CD2 4.4Å; W345-F372 HydrophobicContact CB-CB 4.35Å; W345-F372 HydrophobicContact CD2-CB 4.07Å; W345-F372 AromaticContact CD2-CD1 3.92Å; W345-F372 HydrophobicContact CD2-CD1 3.92Å; W345-F372 HydrophobicContact CD2-CG 4.44Å; W345-F372 AromaticContact CE3-CD1 3.89Å; W345-F372 HydrophobicContact CE3-CD1 3.89Å; W345-F372 HydrophobicContact CG-CB 3.84Å; W345-F372 HydrophobicContact CH2-CD1 4.25Å; W345-F372 HydrophobicContact CZ2-CD1 4.27Å; W345-F372 HydrophobicContact CZ3-CD1 4.05Å; W345-F372 HydrophobicContact CZ3-CE1 4.43Å; W345-P373 PolarHBondContact NE1-O 2.89Å
346D96.4Very high92.7Very high76 Ų7655 Ų5541%0.40630%0.295SS..EExtended strand (participates in β ladder)trans-109-42.8178.7-17165.6000111.2K329 L344 L367K329-D346 HydrophobicContact CB-CB 4.18Å; K329-D346 HydrophobicContact CD-CB 4.35Å; K329-D346 WeakPolarHBondContact CD-OD2 3.34Å; K329-D346 WeakPolarHBondContact CE-OD2 3.49Å; K329-D346 HydrophobicContact CG-CB 4.03Å; K329-D346 IonicContact NZ-OD2 2.7Å; K329-D346 PolarHBondContact NZ-OD2 3.28Å; K329-D346 PolarHBondContact O-N 2.84Å; L344-D346 PolarHBondContact O-N 3.04Å; D346-L367 VanDerWaalsContact C-CD1 3.49Å; D346-L367 WeakPolarHBondContact O-CD1 3.42Å
347S97Very high92.3Very high39 Ų3948.3 Ų48.327%0.27328%0.282SS..EExtended strand (participates in β ladder)trans-149.5152.817177.10000111.7I328 K329I328-S347 WeakPolarHBondContact CA-O 3.45Å; K329-S347 WeakPolarHBondContact CB-OG 3.43Å; K329-S347 PolarHBondContact N-O 3.4Å; K329-S347 PolarHBondContact O-N 2.84Å
348Y97.4Very high92.1Very high24 Ų2448.4 Ų48.49%0.09428%0.276CS..EExtended strand (participates in β ladder)trans-142111.5171-165.6-32.6000108.3F326 I328 W345 I350 L365 F372F326-Y348 HydrophobicContact CB-CE1 4.17Å; F326-Y348 AromaticContact CD1-CE1 3.89Å; F326-Y348 HydrophobicContact CD1-CE1 3.89Å; F326-Y348 WeakPolarHBondContact CD1-OH 3.44Å; I328-Y348 HydrophobicContact CD1-CD2 4.1Å; I328-Y348 HydrophobicContact CD1-CE1 4.13Å; I328-Y348 HydrophobicContact CD1-CE2 3.67Å; I328-Y348 HydrophobicContact CG1-CD1 3.97Å; I328-Y348 HydrophobicContact CG1-CD2 4.11Å; I328-Y348 HydrophobicContact CG1-CE1 3.98Å; I328-Y348 HydrophobicContact CG1-CE2 4.11Å; I328-Y348 HydrophobicContact CG1-CG 4.04Å; I328-Y348 HydrophobicContact CG2-CD2 4.49Å; W345-Y348 HydrophobicContact CE3-CD2 4.08Å; W345-Y348 AromaticContact CZ3-CD2 3.62Å; W345-Y348 HydrophobicContact CZ3-CD2 3.62Å; W345-Y348 AromaticContact CZ3-CE2 3.92Å; W345-Y348 HydrophobicContact CZ3-CE2 3.92Å; Y348-I350 HydrophobicContact CD1-CG1 4.18Å; Y348-I350 HydrophobicContact CE1-CD1 4.25Å; Y348-I350 HydrophobicContact CE1-CG1 3.77Å; Y348-L365 HydrophobicContact CD1-CD1 3.53Å; Y348-L365 HydrophobicContact CD1-CG 4.5Å; Y348-L365 HydrophobicContact CD2-CD1 4.02Å; Y348-L365 HydrophobicContact CE1-CD1 3.72Å; Y348-L365 HydrophobicContact CE2-CD1 4.2Å; Y348-L365 HydrophobicContact CG-CB 4.47Å; Y348-L365 HydrophobicContact CG-CD1 3.69Å; Y348-L365 PolarHBondContact O-N 2.94Å; Y348-F372 HydrophobicContact CD2-CD1 4.33Å; Y348-F372 AromaticContact CD2-CE1 3.65Å; Y348-F372 HydrophobicContact CD2-CE1 3.65Å; Y348-F372 HydrophobicContact CD2-CZ 4.33Å; Y348-F372 AromaticContact CE2-CE1 3.94Å; Y348-F372 HydrophobicContact CE2-CE1 3.94Å
349V97.6Very high91.9Very high26 Ų2646.6 Ų46.616%0.15827%0.269CS..EExtended strand (participates in β ladder)trans-120.3136.2179.4-173.80000109.7T327 T362 V364T327-V349 PolarHBondContact N-O 2.86Å; T327-V349 PolarHBondContact O-N 3.07Å; V349-T362 HydrophobicContact CG1-CG2 3.36Å; V349-V364 HydrophobicContact CG1-CG2 4.41Å; V349-V364 HydrophobicContact CG2-CG2 4.25Å
350I96.7Very high92Very high28 Ų2852.2 Ų52.214%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-113121.9174.6-51175000107.8V324 T325 F326 Y348 T362 T363 L365V324-I350 HydrophobicContact CG1-CG2 3.49Å; V324-I350 VanDerWaalsContact CG1-CG2 3.49Å; T325-I350 WeakPolarHBondContact O-CA 3.44Å; F326-I350 HydrophobicContact CD1-CD1 4.15Å; F326-I350 HydrophobicContact CD1-CG1 3.88Å; F326-I350 HydrophobicContact CD1-CG2 4.21Å; F326-I350 HydrophobicContact CE1-CD1 4.11Å; F326-I350 HydrophobicContact CE1-CG1 4.28Å; F326-I350 HydrophobicContact CE1-CG2 4.19Å; Y348-I350 HydrophobicContact CD1-CG1 4.18Å; Y348-I350 HydrophobicContact CE1-CD1 4.25Å; Y348-I350 HydrophobicContact CE1-CG1 3.77Å; I350-T362 WeakPolarHBondContact O-CA 3.49Å; I350-T363 WeakPolarHBondContact CB-OG1 3.49Å; I350-T363 PolarHBondContact N-O 2.89Å; I350-T363 PolarHBondContact O-N 3.23Å; I350-L365 HydrophobicContact CD1-CD1 3.87Å; I350-L365 HydrophobicContact CD1-CG 4.38Å; I350-L365 HydrophobicContact CG1-CD1 4.28Å
351H94.8Very high91.9Very high74 Ų7454.9 Ų54.934%0.34331%0.313SS..EExtended strand (participates in β ladder)trans-101.3121.7171.6-57.1-76.8000108.6V324 T325 T327 T362V324-H351 WeakPolarHBondContact CA-O 3.16Å; T325-H351 PolarHBondContact N-O 3.42Å; T325-H351 PolarHBondContact O-N 2.87Å; T327-H351 PolarHBondContact OG1-CD2 2.85Å; H351-T362 PolarHBondContact ND1-OG1 2.86Å; H351-T362 VanDerWaalsContact ND1-OG1 3.1Å
352T93Very high92Very high34 Ų3457.3 Ų57.321%0.20933%0.329CS..EExtended strand (participates in β ladder)trans-113.7120.7175.4-570000108.2L322 V324 S361L322-T352 HydrophobicContact CD2-CG2 4.05Å; V324-T352 HydrophobicContact CG2-CG2 4.29Å; T352-S361 WeakPolarHBondContact CB-OG 3.49Å; T352-S361 PolarHBondContact N-O 2.8Å; T352-S361 PolarHBondContact O-N 3.38Å
353F90.8Very high92Very high73 Ų7359.3 Ų59.332%0.3234%0.344SS..EExtended strand (participates in β ladder)trans-112.9124.5177.2175.5-101.1000109.5L322 T323 K355 E360L322-F353 WeakPolarHBondContact CA-O 3.04Å; T323-F353 PolarHBondContact N-O 2.86Å; T323-F353 PolarHBondContact O-N 2.8Å; T323-F353 WeakPolarHBondContact OG1-CB 3.35Å; T323-F353 WeakPolarHBondContact OG1-CD1 3.1Å; T323-F353 PolarHBondContact OG1-O 2.7Å; F353-K355 HydrophobicContact CD1-CG 3.98Å; F353-K355 HydrophobicContact CE1-CB 4.43Å; F353-K355 HydrophobicContact CE1-CG 3.64Å; F353-E360 HydrophobicContact CD2-CG 3.59Å; F353-E360 HydrophobicContact CE2-CG 4.23Å
354D88.2Confident91.9Very high34 Ų3464.7 Ų64.718%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-100112.4174.4179.59.3000110.3L322 S356 S357 A358 G359L322-D354 HydrophobicContact CD2-CB 3.69Å; D354-S356 VanDerWaalsContact CG-OG 3.26Å; D354-S356 PolarHBondContact O-N 3.48Å; D354-S356 WeakPolarHBondContact OD1-CB 3.41Å; D354-S356 PolarHBondContact OD1-N 2.88Å; D354-S356 PolarHBondContact OD1-OG 3.29Å; D354-S356 PolarHBondContact OD2-OG 2.9Å; D354-S356 VanDerWaalsContact OD2-OG 3.1Å; D354-S357 WeakPolarHBondContact CB-OG 3.47Å; D354-S357 WeakPolarHBondContact OD2-CB 3.4Å; D354-S357 PolarHBondContact OD2-OG 2.78Å; D354-A358 WeakPolarHBondContact O-CA 3.43Å; D354-A358 PolarHBondContact O-N 3.07Å; D354-G359 PolarHBondContact N-O 3.04Å; D354-G359 PolarHBondContact O-N 2.81Å
355K82.3Confident91.8Very high103 Ų10364.8 Ų64.845%0.44838%0.377SS..THydrogen-bonded Turntrans-64.7-23.8178.2-71.6174.51771790113.2Q321 F353Q321-K355 WeakPolarHBondContact O-CB 2.86Å; Q321-K355 PolarHBondContact O-N 3.5Å; F353-K355 HydrophobicContact CD1-CG 3.98Å; F353-K355 HydrophobicContact CE1-CB 4.43Å; F353-K355 HydrophobicContact CE1-CG 3.64Å
356S82.8Confident91.6Very high88 Ų8871 Ų7162%0.61541%0.407SS*.THydrogen-bonded Turntrans-83.9-39.3-174.769.30000113D354D354-S356 VanDerWaalsContact CG-OG 3.26Å; D354-S356 PolarHBondContact O-N 3.48Å; D354-S356 WeakPolarHBondContact OD1-CB 3.41Å; D354-S356 PolarHBondContact OD1-N 2.88Å; D354-S356 PolarHBondContact OD1-OG 3.29Å; D354-S356 PolarHBondContact OD2-OG 2.9Å; D354-S356 VanDerWaalsContact OD2-OG 3.1Å
357S82.1Confident91.4Very high79 Ų7970 Ų7055%0.55240%0.401SS*.THydrogen-bonded Turntrans-97.7-7.2176.961.20000113.9D354 G359D354-S357 WeakPolarHBondContact CB-OG 3.47Å; D354-S357 WeakPolarHBondContact OD2-CB 3.4Å; D354-S357 PolarHBondContact OD2-OG 2.78Å; S357-G359 PolarHBondContact O-N 3Å; S357-G359 VanDerWaalsContact O-N 3.15Å; S357-G359 PolarHBondContact OG-N 3.11Å
358A79.5Confident91.2Very high75 Ų7570.2 Ų70.262%0.6240%0.401SS*.THydrogen-bonded Turntrans53.122.5-164.700000113D354D354-A358 WeakPolarHBondContact O-CA 3.43Å; D354-A358 PolarHBondContact O-N 3.07Å
359G85.9Confident90.8Very high31 Ų3175.4 Ų75.432%0.3243%0.43SS..EExtended strand (participates in β ladder)trans-80.3133.1179.800000111.7D354 S357D354-G359 PolarHBondContact N-O 3.04Å; D354-G359 PolarHBondContact O-N 2.81Å; S357-G359 PolarHBondContact O-N 3Å; S357-G359 VanDerWaalsContact O-N 3.15Å; S357-G359 PolarHBondContact OG-N 3.11Å
360E91Very high90.5Very high160 Ų16079.3 Ų79.375%0.74845%0.447SS*.EExtended strand (participates in β ladder)trans-108.5132.8170.8-77.7-179.6-165.900110.1F353F353-E360 HydrophobicContact CD2-CG 3.59Å; F353-E360 HydrophobicContact CE2-CG 4.23Å
361S92.9Very high90.3Very high62 Ų6281 Ų8143%0.43445%0.454SS..EExtended strand (participates in β ladder)trans-129.7139.8170.159.60000109.9T352T352-S361 WeakPolarHBondContact CB-OG 3.49Å; T352-S361 PolarHBondContact N-O 2.8Å; T352-S361 PolarHBondContact O-N 3.38Å
362T95.1Very high90.4Very high82 Ų8278.6 Ų78.650%0.50344%0.442SS..EExtended strand (participates in β ladder)trans-122.4124.6178.2-64.10000108.5V349 I350 H351V349-T362 HydrophobicContact CG1-CG2 3.36Å; I350-T362 WeakPolarHBondContact O-CA 3.49Å; H351-T362 PolarHBondContact ND1-OG1 2.86Å; H351-T362 VanDerWaalsContact ND1-OG1 3.1Å
363T96.5Very high90.5Very high69 Ų6978.2 Ų78.242%0.42344%0.441SS..EExtended strand (participates in β ladder)trans-116.3121.7175.664.20000109.5I350I350-T363 WeakPolarHBondContact CB-OG1 3.49Å; I350-T363 PolarHBondContact N-O 2.89Å; I350-T363 PolarHBondContact O-N 3.23Å
364V95.9Very high90.8Very high113 Ų11376.7 Ų76.769%0.68544%0.438SS*.EExtended strand (participates in β ladder)trans-94.2123.9175-176.50000108.2V349V349-V364 HydrophobicContact CG1-CG2 4.41Å; V349-V364 HydrophobicContact CG2-CG2 4.25Å
365L93.8Very high91.2Very high62 Ų6275 Ų7533%0.32543%0.429SS..PPolyproline II helixtrans-86138.2179.9-72.8168.2000111Y348 I350 L367 F372Y348-L365 HydrophobicContact CD1-CD1 3.53Å; Y348-L365 HydrophobicContact CD1-CG 4.5Å; Y348-L365 HydrophobicContact CD2-CD1 4.02Å; Y348-L365 HydrophobicContact CE1-CD1 3.72Å; Y348-L365 HydrophobicContact CE2-CD1 4.2Å; Y348-L365 HydrophobicContact CG-CB 4.47Å; Y348-L365 HydrophobicContact CG-CD1 3.69Å; Y348-L365 PolarHBondContact O-N 2.94Å; I350-L365 HydrophobicContact CD1-CD1 3.87Å; I350-L365 HydrophobicContact CD1-CG 4.38Å; I350-L365 HydrophobicContact CG1-CD1 4.28Å; L365-L367 PolarHBondContact O-N 3.15Å; L365-F372 HydrophobicContact CD1-CZ 4.27Å
366E93.7Very high91.9Very high159 Ų15976.3 Ų76.374%0.74343%0.431SS*.PPolyproline II helixtrans-76122.4172.6-169.5-176.2167.800111T368E366-T368 HydrophobicContact CG-CG2 4.32Å; E366-T368 PolarHBondContact O-N 2.62Å
367L93.2Very high92.5Very high54 Ų5473.7 Ų73.728%0.28341%0.409SS..  trans-90.280-174.4-59.2-176.4000111.6W345 D346 L365 F372W345-L367 HydrophobicContact CB-CD1 3.93Å; W345-L367 HydrophobicContact CB-CD2 4.4Å; D346-L367 VanDerWaalsContact C-CD1 3.49Å; D346-L367 WeakPolarHBondContact O-CD1 3.42Å; L365-L367 PolarHBondContact O-N 3.15Å; L367-F372 HydrophobicContact CD2-CB 4.35Å; L367-F372 HydrophobicContact CD2-CD1 4.18Å; L367-F372 HydrophobicContact CD2-CD2 3.95Å; L367-F372 HydrophobicContact CD2-CE2 4.28Å; L367-F372 HydrophobicContact CD2-CG 3.89Å
368T92Very high92.9Very high45 Ų4573 Ų7328%0.27640%0.401SS..  trans-83.3139.9171.858.90000111.2E366 Q370 H371 F372E366-T368 HydrophobicContact CG-CG2 4.32Å; E366-T368 PolarHBondContact O-N 2.62Å; T368-Q370 PolarHBondContact O-N 3.24Å; T368-Q370 VanDerWaalsContact O-N 3.08Å; T368-H371 PolarHBondContact O-N 3.1Å; T368-H371 VanDerWaalsContact O-N 3.07Å; T368-H371 PolarHBondContact OG1-ND1 2.97Å; T368-F372 PolarHBondContact O-N 3.45Å
369N90.1Very high93.4Very high132 Ų13274.1 Ų74.171%0.70639%0.389SS*.THydrogen-bonded Turntrans-58.2-25177.5-79.4-35.4000113.4P373N369-P373 WeakPolarHBondContact O-CA 3.32Å; N369-P373 WeakPolarHBondContact O-CB 3.44Å
370Q90.3Very high93.2Very high108 Ų10873.9 Ų73.951%0.50538%0.381SS..THydrogen-bonded Turntrans-66.3-44.7175.9-172.9179.81900112V191 T368V191-Q370 WeakPolarHBondContact CG1-O 3.42Å; T368-Q370 PolarHBondContact O-N 3.24Å; T368-Q370 VanDerWaalsContact O-N 3.08Å
371H92.6Very high92.3Very high63 Ų6377.2 Ų77.229%0.29239%0.387SS..THydrogen-bonded Turntrans-95.8-24.8-175.8-64.797.2000113.2R215 T368R215-H371 PolarHBondContact NH1-O 3.43Å; R215-H371 PolarHBondContact NH2-O 2.68Å; R215-H371 VanDerWaalsContact NH2-O 3.11Å; T368-H371 PolarHBondContact O-N 3.1Å; T368-H371 VanDerWaalsContact O-N 3.07Å; T368-H371 PolarHBondContact OG1-ND1 2.97Å
372F95.9Very high90.9Very high24 Ų2480.7 Ų80.711%0.10540%0.401CS..SBendtrans-128.760.2-178.5-60.3-82.7000111W345 Y348 L365 L367 T368W345-F372 HydrophobicContact CB-CB 4.35Å; W345-F372 HydrophobicContact CD2-CB 4.07Å; W345-F372 AromaticContact CD2-CD1 3.92Å; W345-F372 HydrophobicContact CD2-CD1 3.92Å; W345-F372 HydrophobicContact CD2-CG 4.44Å; W345-F372 AromaticContact CE3-CD1 3.89Å; W345-F372 HydrophobicContact CE3-CD1 3.89Å; W345-F372 HydrophobicContact CG-CB 3.84Å; W345-F372 HydrophobicContact CH2-CD1 4.25Å; W345-F372 HydrophobicContact CZ2-CD1 4.27Å; W345-F372 HydrophobicContact CZ3-CD1 4.05Å; W345-F372 HydrophobicContact CZ3-CE1 4.43Å; Y348-F372 HydrophobicContact CD2-CD1 4.33Å; Y348-F372 AromaticContact CD2-CE1 3.65Å; Y348-F372 HydrophobicContact CD2-CE1 3.65Å; Y348-F372 HydrophobicContact CD2-CZ 4.33Å; Y348-F372 AromaticContact CE2-CE1 3.94Å; Y348-F372 HydrophobicContact CE2-CE1 3.94Å; L365-F372 HydrophobicContact CD1-CZ 4.27Å; L367-F372 HydrophobicContact CD2-CB 4.35Å; L367-F372 HydrophobicContact CD2-CD1 4.18Å; L367-F372 HydrophobicContact CD2-CD2 3.95Å; L367-F372 HydrophobicContact CD2-CE2 4.28Å; L367-F372 HydrophobicContact CD2-CG 3.89Å; T368-F372 PolarHBondContact O-N 3.45Å
373P96.4Very high89.6Confident26 Ų2677.9 Ų77.917%0.16938%0.382CS..PPolyproline II helixtrans-67.2152.7174.127.3-31.7000110.3C189 R190 V191 W345 N369 C375C189-P373 HydrophobicContact CB-CG 4.26Å; R190-P373 VanDerWaalsContact O-CG 3.26Å; R190-P373 WeakPolarHBondContact O-CG 3.21Å; V191-P373 HydrophobicContact CG2-CG 4.19Å; W345-P373 PolarHBondContact NE1-O 2.89Å; N369-P373 WeakPolarHBondContact O-CA 3.32Å; N369-P373 WeakPolarHBondContact O-CB 3.44Å; P373-C375 PolarHBondContact O-N 2.94Å
374P96.6Very high87.7Confident41 Ų4179.6 Ų79.627%0.26639%0.387SS..PPolyproline II helixtrans-54135176-29.936.8000113.6Q342 L343 L344Q342-P374 HydrophobicContact CG-CB 3.76Å; L343-P374 CarbonylContact O-C 3.59Å; L343-P374 VanDerWaalsContact O-CA 3.26Å; L343-P374 WeakPolarHBondContact O-CA 3.26Å; L344-P374 HydrophobicContact CD2-CB 3.84Å; L344-P374 HydrophobicContact CD2-CG 3.66Å
375C97.1Very high85.7Confident0 Ų077.6 Ų77.60%038%0.376CS..EExtended strand (participates in β ladder)trans-83.1128.8175-53.50000110L188 C189 Q342 L343 P373L188-C375 CarbonylContact O-C 3.47Å; L188-C375 WeakPolarHBondContact O-CA 3.43Å; C189-C375 HydrophobicContact CB-CB 4.18Å; C189-C375 VanDerWaalsContact CB-SG 3.58Å; C189-C375 PolarHBondContact SG-SG 2.87Å; Q342-C375 CarbonylContact C-O 3.55Å; Q342-C375 VanDerWaalsContact CA-O 3.31Å; Q342-C375 WeakPolarHBondContact CA-O 3.43Å; L343-C375 HydrophobicContact CB-CB 4.24Å; L343-C375 PolarHBondContact N-O 3.1Å; L343-C375 PolarHBondContact O-N 3.25Å; P373-C375 PolarHBondContact O-N 2.94Å
376R96.2Very high83.6Confident129 Ų12975.3 Ų75.349%0.48737%0.365SS..EExtended strand (participates in β ladder)trans-100.7139.6179.8-62.7-175.3-166.3164.99.1110.6Y187 L188 N341 V378Y187-R376 CarbonylContact C-O 3.53Å; Y187-R376 VanDerWaalsContact CA-O 3.31Å; Y187-R376 WeakPolarHBondContact CA-O 3.31Å; L188-R376 PolarHBondContact N-O 3Å; L188-R376 PolarHBondContact O-N 3.47Å; N341-R376 WeakPolarHBondContact O-CA 3.42Å; R376-V378 PolarHBondContact O-N 2.88Å
377F95.1Very high81.5Confident34 Ų3474.3 Ų74.315%0.14937%0.369CS..EExtended strand (participates in β ladder)trans-68.8129.2177-174.4-100000111.4L182 H184 Y187 N341 R379L182-F377 HydrophobicContact CB-CD1 4.49Å; L182-F377 HydrophobicContact CB-CD2 3.57Å; L182-F377 HydrophobicContact CB-CE1 4.27Å; L182-F377 HydrophobicContact CB-CE2 3.26Å; L182-F377 HydrophobicContact CB-CG 4.16Å; L182-F377 HydrophobicContact CB-CZ 3.63Å; L182-F377 HydrophobicContact CD1-CB 4.11Å; L182-F377 HydrophobicContact CD1-CD1 3.63Å; L182-F377 HydrophobicContact CD1-CD2 3.87Å; L182-F377 HydrophobicContact CD1-CE1 3.97Å; L182-F377 HydrophobicContact CD1-CE2 4.17Å; L182-F377 HydrophobicContact CD1-CG 3.56Å; L182-F377 HydrophobicContact CD1-CZ 4.19Å; L182-F377 HydrophobicContact CG-CD2 4.32Å; L182-F377 HydrophobicContact CG-CE2 4.36Å; L182-F377 HydrophobicContact CG-CG 4.49Å; H184-F377 AromaticContact CE1-CE1 3.21Å; H184-F377 WeakPolarHBondContact CE1-CE1 3.45Å; H184-F377 AromaticContact CE1-CZ 3.34Å; H184-F377 WeakPolarHBondContact CE1-CZ 3.46Å; H184-F377 AromaticContact ND1-CE1 3.41Å; H184-F377 WeakPolarHBondContact ND1-CE1 3.4Å; H184-F377 AromaticContact ND1-CZ 3.23Å; H184-F377 WeakPolarHBondContact ND1-CZ 3.4Å; Y187-F377 HydrophobicContact CD1-CB 3.84Å; Y187-F377 HydrophobicContact CD1-CD2 4.27Å; Y187-F377 HydrophobicContact CD2-CD2 4.07Å; Y187-F377 HydrophobicContact CE1-CB 3.69Å; Y187-F377 HydrophobicContact CE1-CD2 4.04Å; Y187-F377 HydrophobicContact CE1-CG 4.33Å; Y187-F377 AromaticContact CE2-CD2 3.81Å; Y187-F377 HydrophobicContact CE2-CD2 3.81Å; Y187-F377 HydrophobicContact CE2-CE2 4.44Å; Y187-F377 HydrophobicContact CG-CD2 4.3Å; Y187-F377 AromaticContact CZ-CD2 3.8Å; N341-F377 HydrophobicContact CB-CB 4.05Å; N341-F377 WeakPolarHBondContact O-CB 3.49Å; N341-F377 PolarHBondContact O-N 2.9Å; F377-R379 HydrophobicContact CE1-CB 4.17Å
378V92.1Very high79.4Confident63 Ų6377 Ų7738%0.38239%0.388SS..EExtended strand (participates in β ladder)trans-121.5123172.5178.50000108.3G185 C186 L188 R376G185-V378 VanDerWaalsContact CA-O 3.27Å; G185-V378 WeakPolarHBondContact CA-O 3.45Å; C186-V378 PolarHBondContact N-O 3.5Å; C186-V378 PolarHBondContact O-N 3.31Å; L188-V378 HydrophobicContact CB-CG2 4.33Å; L188-V378 HydrophobicContact CD1-CB 3.92Å; L188-V378 HydrophobicContact CD1-CG1 4.31Å; L188-V378 HydrophobicContact CD1-CG2 3.79Å; L188-V378 HydrophobicContact CG-CG2 4.41Å; R376-V378 PolarHBondContact O-N 2.88Å
379R88.1Confident77.5Confident99 Ų9975.9 Ų75.937%0.37438%0.383SS..EExtended strand (participates in β ladder)trans-71.6138.4177.9-176.9177.7178.888.13.6110.1H184 F377H184-R379 PolarHBondContact ND1-NH1 3.5Å; F377-R379 HydrophobicContact CE1-CB 4.17Å
380V83.4Confident75.8Confident26 Ų2673.6 Ų73.616%0.15838%0.378CS..  trans-126.8118.9175.9-179.10000107.8H184 V239 N382 F383H184-V380 PolarHBondContact O-N 3.18Å; V239-V380 HydrophobicContact CG1-CB 4.26Å; V239-V380 HydrophobicContact CG1-CG1 3.6Å; V239-V380 HydrophobicContact CG1-CG2 3.59Å; V239-V380 HydrophobicContact CG2-CG2 4.25Å; V380-N382 VanDerWaalsContact C-N 3.3Å; V380-N382 PolarHBondContact O-N 2.93Å; V380-F383 HydrophobicContact CB-CD2 3.6Å; V380-F383 HydrophobicContact CB-CE2 3.39Å; V380-F383 HydrophobicContact CB-CG 4.32Å; V380-F383 HydrophobicContact CB-CZ 3.95Å; V380-F383 HydrophobicContact CG1-CD1 4.4Å; V380-F383 HydrophobicContact CG1-CD2 4.02Å; V380-F383 HydrophobicContact CG1-CE1 4.29Å; V380-F383 HydrophobicContact CG1-CE2 3.91Å; V380-F383 HydrophobicContact CG1-CG 4.25Å; V380-F383 HydrophobicContact CG1-CZ 4.05Å; V380-F383 HydrophobicContact CG2-CD2 4.25Å; V380-F383 HydrophobicContact CG2-CE2 3.51Å; V380-F383 HydrophobicContact CG2-CZ 3.84Å
381R70.9Confident74.3Confident231 Ų23171.9 Ų71.987%0.87238%0.376SS*.THydrogen-bonded Turntrans-67.1-31.6-174.9-60.4-176.3-159.2175.85.8112.8
382N64Low72.4Confident135 Ų13571 Ų7172%0.72237%0.373SS*.THydrogen-bonded Turntrans-107.830.1-168.2-62.5-8.1000113.7V380 I384V380-N382 VanDerWaalsContact C-N 3.3Å; V380-N382 PolarHBondContact O-N 2.93Å; N382-I384 PolarHBondContact O-N 3.18Å
383F68.2Low71.3Confident23 Ų2373.4 Ų73.410%0.10139%0.387CS..  trans-70.7105.5162.9-77.4-45.6000107.9G185 C186 V239 S243 V380G185-F383 VanDerWaalsContact CA-CE2 3.48Å; G185-F383 WeakPolarHBondContact O-CE2 3.37Å; C186-F383 HydrophobicContact CB-CE2 4.34Å; C186-F383 HydrophobicContact CB-CZ 4.3Å; V239-F383 HydrophobicContact CG1-CZ 4.33Å; S243-F383 VanDerWaalsContact CA-CE1 3.44Å; V380-F383 HydrophobicContact CB-CD2 3.6Å; V380-F383 HydrophobicContact CB-CE2 3.39Å; V380-F383 HydrophobicContact CB-CG 4.32Å; V380-F383 HydrophobicContact CB-CZ 3.95Å; V380-F383 HydrophobicContact CG1-CD1 4.4Å; V380-F383 HydrophobicContact CG1-CD2 4.02Å; V380-F383 HydrophobicContact CG1-CE1 4.29Å; V380-F383 HydrophobicContact CG1-CE2 3.91Å; V380-F383 HydrophobicContact CG1-CG 4.25Å; V380-F383 HydrophobicContact CG1-CZ 4.05Å; V380-F383 HydrophobicContact CG2-CD2 4.25Å; V380-F383 HydrophobicContact CG2-CE2 3.51Å; V380-F383 HydrophobicContact CG2-CZ 3.84Å
384I56.1Low69.9Low105 Ų10575.8 Ų75.854%0.53840%0.398SS..  trans-60.3127175-60.8169.8000106.9N382N382-I384 PolarHBondContact O-N 3.18Å
385P53.1Low68.5Low70 Ų7077.8 Ų77.846%0.45541%0.405SS..  trans-64.9135.5175.725.4-32.3000110.6H109 V387H109-P385 WeakPolarHBondContact CD2-CA 3.34Å; H109-P385 WeakPolarHBondContact CD2-CB 3.42Å; H109-P385 WeakPolarHBondContact NE2-CA 3.48Å; H109-P385 WeakPolarHBondContact NE2-CB 3.3Å; P385-V387 PolarHBondContact O-N 3.14Å
386D51.5Low66.8Low14 Ų1482.4 Ų82.48%0.07543%0.429CS..  trans-39.3105164.2-53.7-12000109.9H109 S222 H246 T388 A389H109-D386 VanDerWaalsContact CE1-CG 3.46Å; H109-D386 PolarHBondContact CE1-N 3.07Å; H109-D386 IonicContact CE1-OD1 2.96Å; H109-D386 PolarHBondContact CE1-OD1 2.79Å; H109-D386 IonicContact CE1-OD2 3.49Å; H109-D386 PolarHBondContact NE2-N 3.08Å; H109-D386 IonicContact NE2-OD1 2.61Å; H109-D386 IonicContact NE2-OD2 3.47Å; S222-D386 PolarHBondContact OG-OD2 3.31Å; H246-D386 IonicContact CE1-OD1 3.76Å; H246-D386 IonicContact CE1-OD2 3.8Å; H246-D386 IonicContact CG-OD1 2.68Å; H246-D386 IonicContact ND1-OD1 3.22Å; H246-D386 PolarHBondContact ND1-OD1 2.8Å; D386-T388 PolarHBondContact O-N 3.07Å; D386-T388 VanDerWaalsContact O-N 3.13Å; D386-A389 HydrophobicContact CB-CB 4.21Å; D386-A389 PolarHBondContact O-N 3.49Å
387V48.9Very low64.9Low138 Ų13879.4 Ų79.484%0.83643%0.426SS*.THydrogen-bonded Turntrans-62.3-21.6-176.7178.80000111.3P385P385-V387 PolarHBondContact O-N 3.14Å
388T47.9Very low62.9Low110 Ų11082.5 Ų82.568%0.67544%0.444SS*.THydrogen-bonded Turntrans-90.4-5-174.954.80000114.6D386D386-T388 PolarHBondContact O-N 3.07Å; D386-T388 VanDerWaalsContact O-N 3.13Å
389A52.6Low60.8Low22 Ų2283.9 Ų83.918%0.18245%0.448CS..SBendtrans-90.3127.4-174.700000111.3D386D386-A389 HydrophobicContact CB-CB 4.21Å; D386-A389 PolarHBondContact O-N 3.49Å
390S55.6Low58.7Low84 Ų8482.7 Ų82.759%0.58745%0.454SS*.PPolyproline II helixtrans-56.4137.3175.643.10000111.1K141K141-S390 PolarHBondContact NZ-O 3.2Å
391P57.2Low56.7Low73 Ų7387.4 Ų87.447%0.47448%0.479SS..PPolyproline II helixtrans-59161171.724.4-31000110.7
392L54.3Low55.4Low44 Ų4474.4 Ų74.423%0.2344%0.443CS..  trans-520178.9-86.2167.4000113.8R103 I106 L110 I138 K141R103-L392 HydrophobicContact CB-CB 4.1Å; R103-L392 HydrophobicContact CG-CB 4.32Å; I106-L392 HydrophobicContact CB-CD1 3.64Å; I106-L392 HydrophobicContact CD1-CD1 3.9Å; I106-L392 HydrophobicContact CG1-CD1 4.42Å; I106-L392 HydrophobicContact CG2-CD1 3.3Å; L110-L392 HydrophobicContact CD1-CD1 4.19Å; L110-L392 HydrophobicContact CD1-CD2 4.11Å; I138-L392 HydrophobicContact CG1-CD1 4.39Å; K141-L392 HydrophobicContact CB-CD2 4.11Å; K141-L392 HydrophobicContact CD-CD2 4.18Å; K141-L392 HydrophobicContact CG-CD2 4.29Å

Retrieved 392 of 392 residues in 89 ms (Link to these results)