A0A060XIA6_ONCMY Loading...

Inward rectifier potassium channel 2

AlphaFold DB , UniProt , Accession A0A060XIA6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110502797, Length 425 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
1M36Very low30.4Very low258 Ų258163.7 Ų163.7100%1.27186%0.862SS**  0125.80-86.5178.916000108
2G32.8Very low30.1Very low86 Ų86158.8 Ų158.889%0.88784%0.842SS**  trans141.682.6-179.500000111.5
3S29.8Very low29.7Very low107 Ų107156.2 Ų156.275%0.74885%0.845SS**  trans-108.3133-174-177.30000110.5
4V35.5Very low29.8Very low123 Ų123153.6 Ų153.675%0.74584%0.837SS**  trans67.6120.5138.7177.40000120
5R30.6Very low29.8Very low251 Ų251156.3 Ų156.395%0.94784%0.842SS**  -150.8132.8113.5-121.1177.1-177.6176.20.5113
6A31.8Very low30Very low78 Ų78157.8 Ų157.865%0.64584%0.842SS**  trans-85.2156.1-175.400000111.9
7N26.2Very low30Very low171 Ų171159.9 Ų159.991%0.91485%0.845SS**  trans-135.2109.7147.4-107.3-12.1000109.1
8R29.1Very low29.9Very low224 Ų224155.4 Ų155.485%0.84584%0.843SS**  trans-88.8131.7165-85179.4173.8-179.5-2107.4
9Y29.3Very low29.7Very low238 Ų238156.8 Ų156.893%0.93385%0.846SS**  trans-149.4121131.7-95.4-73.6000108.9
10S24.6Very low29.7Very low98 Ų98159.2 Ų159.269%0.68585%0.848SS**  trans-87.4142178.957.20000111
11I28.5Very low29.6Very low167 Ų167159.2 Ų159.286%0.85685%0.848SS**  trans-133.5124.6142.9-63.8-175.5000108.5
12V26.6Very low29.4Very low104 Ų104151.8 Ų151.863%0.6383%0.827SS**  trans-68.7135.5-177.7171.80000110.9
13S25.9Very low29.3Very low125 Ų125153.8 Ų153.887%0.87482%0.822SS**  trans-146.7102.7145.7-74.50000107.5E15S13-E15 PolarHBondContact O-N 3.47Å
14T30.9Very low29.4Very low121 Ų121155.4 Ų155.474%0.74283%0.828SS**  trans-68.3106.6173.4-1.70000109
15E30.2Very low29.1Very low194 Ų194154 Ų15491%0.90783%0.829SS**  trans-141.595.1147.8-75.7-166.9158.900107.3S13 H17S13-E15 PolarHBondContact O-N 3.47Å; E15-H17 PolarHBondContact O-N 3.3Å
16E32.2Very low29.2Very low180 Ų180148.3 Ų148.384%0.84182%0.822SS**  trans-62.5112.9163.3-75.9-178.5134.700108.4
17H30Very low29.5Very low194 Ų194150.2 Ų150.290%0.89883%0.828SS**  trans-147.4107.2141.8-99.768000106.8E15 M19E15-H17 PolarHBondContact O-N 3.3Å; H17-M19 PolarHBondContact O-N 3.38Å
18G27.8Very low29.7Very low78 Ų78150.2 Ų150.280%0.80483%0.827SS**  trans-61128-174.700000112.9K20G18-K20 PolarHBondContact O-N 3.29Å
19M27.6Very low29.9Very low183 Ų183143.2 Ų143.290%0.90183%0.825SS**  trans-60.9119.6163.1-81.2173.516900109.7H17H17-M19 PolarHBondContact O-N 3.38Å
20K28.3Very low30.4Very low203 Ų203143.8 Ų143.888%0.88383%0.827SS**  trans-100.4112.3157-75.4-172.1177.2-177.30108.1G18 A22G18-K20 PolarHBondContact O-N 3.29Å; K20-A22 PolarHBondContact O-N 3.02Å
21L29.1Very low30.7Very low161 Ų161142.4 Ų142.484%0.84383%0.829SS**  trans-56.4120.7164.4-121.778.8000108.1T23L21-T23 PolarHBondContact O-N 3.27Å
22A30.2Very low31.3Very low102 Ų102145.4 Ų145.484%0.84384%0.835SS**  trans-81.6102.4170.800000108.8K20K20-A22 PolarHBondContact O-N 3.02Å
23T31.6Very low31.6Very low128 Ų128143 Ų14379%0.78583%0.832SS**  trans-74.2124.2167.6-37.20000108.4L21 A25L21-T23 PolarHBondContact O-N 3.27Å; T23-A25 PolarHBondContact O-N 2.7Å
24V30.7Very low32.1Very low141 Ų141147 Ų14786%0.85583%0.834SS**  trans-62.2114.8172.1174.30000108.5
25A30.9Very low32.4Very low94 Ų94147 Ų14778%0.77783%0.833SS**PPolyproline II helixtrans-103.7120.9176.600000110.2T23T23-A25 PolarHBondContact O-N 2.7Å
26V30.8Very low32.6Very low131 Ų131146.1 Ų146.179%0.79483%0.828SS**PPolyproline II helixtrans-70.4134.5169.8179.40000108.7N28V26-N28 PolarHBondContact O-N 2.92Å
27P38.2Very low33Very low118 Ų118143.2 Ų143.277%0.76682%0.823SS**PPolyproline II helixtrans-84.9120.5-175.431.5-30.1000111.1
28N32Very low33.5Very low170 Ų170144.8 Ų144.891%0.90982%0.821SS**  trans-137.9125.7157.7-111.2-7000108.5V26V26-N28 PolarHBondContact O-N 2.92Å
29G31.8Very low34.3Very low77 Ų77149 Ų14979%0.79482%0.82SS**  trans128.8112.8163.900000115.6
30Y39.8Very low35.3Very low250 Ų250148.3 Ų148.398%0.9881%0.814SS**  trans-58.4128.3168.3-90-104.8000112.1
31G31.9Very low36.7Very low70 Ų70144.6 Ų144.672%0.72281%0.811SS**  trans-161.3115.2169.500000111.8G33G31-G33 PolarHBondContact O-N 3.35Å
32K41.6Very low38.4Very low229 Ų229140 Ų140100%0.99679%0.785SS**  trans-65.8100.5172.3-85.6-180174.2175.80109.7
33G32.4Very low40.6Very low54 Ų54140.3 Ų140.356%0.55778%0.781SS**  trans-132.3132168.100000109.5G31 V35G31-G33 PolarHBondContact O-N 3.35Å; G33-V35 PolarHBondContact O-N 3.15Å
34K35.8Very low43.4Very low209 Ų209136.1 Ų136.191%0.90975%0.751SS**  trans-53.4111.6174-76.7175.9173.1177.80109H36K34-H36 PolarHBondContact O-N 3.14Å
35V36.8Very low46.3Very low120 Ų120132.3 Ų132.373%0.72772%0.723SS**  trans-7197.4175.5-1770000107.4G33 T37G33-V35 PolarHBondContact O-N 3.15Å; V35-T37 VanDerWaalsContact C-N 3.31Å; V35-T37 HydrophobicContact CG1-CG2 4Å; V35-T37 PolarHBondContact O-N 2.72Å; V35-T37 VanDerWaalsContact O-N 3.13Å
36H35.7Very low49.4Very low176 Ų176128 Ų12882%0.81569%0.687SS**  trans-68.1100.5153-84.50.5000106.3K34 R38K34-H36 PolarHBondContact O-N 3.14Å; H36-R38 PolarHBondContact O-N 3.05Å
37T39.1Very low52.3Low119 Ų119126.5 Ų126.573%0.7367%0.67SS**  trans-63.875.2163.4330000108.2V35 H39V35-T37 VanDerWaalsContact C-N 3.31Å; V35-T37 HydrophobicContact CG1-CG2 4Å; V35-T37 PolarHBondContact O-N 2.72Å; V35-T37 VanDerWaalsContact O-N 3.13Å; T37-H39 PolarHBondContact O-N 3.35Å
38R40.8Very low54.8Low228 Ų228123.8 Ų123.886%0.8665%0.646SS**  trans-7191.8163-163.5177.6-171.7177.12.5104.6H36 Q40H36-R38 PolarHBondContact O-N 3.05Å; R38-Q40 PolarHBondContact O-N 3.08Å
39H45.9Very low57.5Low167 Ų167120.5 Ų120.577%0.77363%0.628SS**  trans-47108.6167.5-108.9-85.8000106.3T37T37-H39 PolarHBondContact O-N 3.35Å
40Q48.6Very low60.2Low167 Ų167117 Ų11778%0.7859%0.592SS**  trans-61.6128.5170.5-83.5179.6-17.400105.7R38 Q42R38-Q40 PolarHBondContact O-N 3.08Å; Q40-Q42 PolarHBondContact O-N 2.9Å
41P56.3Low62.5Low126 Ų126110.7 Ų110.782%0.81857%0.572SS**  trans-59114.5176.822.6-30.5000107.4S43P41-S43 PolarHBondContact O-N 3.37Å
42Q65.1Low65.2Low65 Ų65110.8 Ų110.830%0.30456%0.56SS.*  trans-53131.5177-84.5175-16.700109.1Q40 R44 E287Q40-Q42 PolarHBondContact O-N 2.9Å; Q42-R44 PolarHBondContact O-N 2.88Å; Q42-E287 PolarHBondContact NE2-OE1 2.95Å
43S76.9Confident67.5Low108 Ų108104 Ų10476%0.75554%0.535SS*.  trans-66.8129.9172.1-175.70000108.5P41P41-S43 PolarHBondContact O-N 3.37Å
44R90.3Very high70.2Confident39 Ų39104.4 Ų104.415%0.14753%0.526CS..  trans-104.3139.7-178.8-179.9-166.8-71.2-120.37109.9Q42 V46 N53 E289 S310 L312 E315Q42-R44 PolarHBondContact O-N 2.88Å; R44-V46 WeakPolarHBondContact CD-O 3.29Å; R44-V46 VanDerWaalsContact CG-O 3.27Å; R44-V46 WeakPolarHBondContact CG-O 3.25Å; R44-N53 VanDerWaalsContact O-CB 3.29Å; R44-N53 WeakPolarHBondContact O-CB 3.21Å; R44-N53 PolarHBondContact O-ND2 3.41Å; R44-N53 VanDerWaalsContact O-ND2 3.15Å; R44-E289 WeakPolarHBondContact CG-OE1 3.24Å; R44-S310 WeakPolarHBondContact CD-OG 3.43Å; R44-S310 PolarHBondContact NH1-O 3.37Å; R44-S310 PolarHBondContact NH1-OG 3.03Å; R44-L312 HydrophobicContact CB-CD2 4.35Å; R44-L312 HydrophobicContact CG-CD2 4.24Å; R44-E315 IonicContact CZ-OE1 2.6Å; R44-E315 IonicContact CZ-OE2 2.93Å; R44-E315 IonicContact NH1-OE2 3.31Å; R44-E315 PolarHBondContact NH1-OE2 2.91Å; R44-E315 IonicContact NH2-OE1 3.46Å; R44-E315 PolarHBondContact NH2-OE1 2.86Å; R44-E315 IonicContact NH2-OE2 3.57Å; R44-E315 PolarHBondContact NH2-OE2 3.34Å
45F92.4Very high72.5Confident62 Ų62102 Ų10227%0.27252%0.519SS..SBendtrans-77.3-45.3178.6-170.6-105.7000112.7N53 V54 L228 L241 E289F45-N53 PolarHBondContact O-N 3.3Å; F45-V54 HydrophobicContact CD2-CG2 3.63Å; F45-V54 HydrophobicContact CE1-CG2 4.47Å; F45-V54 HydrophobicContact CE2-CG2 3.14Å; F45-V54 HydrophobicContact CG-CG2 4.49Å; F45-V54 HydrophobicContact CZ-CG2 3.62Å; F45-L228 HydrophobicContact CB-CD1 3.85Å; F45-L228 HydrophobicContact CD1-CD1 3.49Å; F45-L228 VanDerWaalsContact CD1-CD1 3.49Å; F45-L228 HydrophobicContact CE1-CD1 4.32Å; F45-L228 HydrophobicContact CG-CD1 3.88Å; F45-L241 HydrophobicContact CD2-CD1 3.64Å; F45-L241 HydrophobicContact CE2-CD1 3.9Å; F45-L241 HydrophobicContact CG-CD1 4.44Å; F45-E289 WeakPolarHBondContact CB-OE2 3.21Å; F45-E289 PolarHBondContact N-OE2 3.3Å
46V94.4Very high74.6Confident4 Ų4103.8 Ų103.82%0.02452%0.516CS..BIsolated β-bridgetrans-121116.5175.7-177.40000109.3R44 E289 V291 R308 S310R44-V46 WeakPolarHBondContact CD-O 3.29Å; R44-V46 VanDerWaalsContact CG-O 3.27Å; R44-V46 WeakPolarHBondContact CG-O 3.25Å; V46-E289 PolarHBondContact N-OE1 3.35Å; V46-V291 HydrophobicContact CB-CG2 4.22Å; V46-V291 HydrophobicContact CG2-CG1 4.1Å; V46-V291 HydrophobicContact CG2-CG2 3.82Å; V46-R308 HydrophobicContact CG1-CB 4.32Å; V46-S310 WeakPolarHBondContact O-CB 3.37Å; V46-S310 PolarHBondContact O-OG 2.89Å
47K92.9Very high76.9Confident98 Ų98101.5 Ų101.543%0.42651%0.509SS..  trans-59.9160.8176.7-71.4-179.2-176-176.80112.3D49 G50 H51K47-D49 WeakPolarHBondContact CB-OD1 3.5Å; K47-D49 PolarHBondContact O-N 2.87Å; K47-D49 VanDerWaalsContact O-N 3.11Å; K47-G50 WeakPolarHBondContact O-CA 3.48Å; K47-G50 PolarHBondContact O-N 2.9Å; K47-H51 WeakPolarHBondContact CB-O 3.49Å; K47-H51 PolarHBondContact N-O 3.45Å
48K91.4Very high78.8Confident62 Ų62103.4 Ų103.427%0.2752%0.515SS..THydrogen-bonded Turntrans-56.1-28177.4-77.4-66.6-173.7-171.70113.9G50 H193 S309 S310 E315K48-G50 PolarHBondContact O-N 2.61Å; K48-H193 PolarHBondContact NZ-O 2.95Å; K48-S309 PolarHBondContact O-OG 3.27Å; K48-S310 VanDerWaalsContact CD-O 3.27Å; K48-S310 WeakPolarHBondContact CD-O 3.43Å; K48-S310 WeakPolarHBondContact CE-O 3.49Å; K48-S310 PolarHBondContact NZ-O 3.45Å; K48-E315 WeakPolarHBondContact CE-OE1 3.37Å; K48-E315 WeakPolarHBondContact CE-OE2 3.46Å; K48-E315 VanDerWaalsContact NZ-CD 3.29Å; K48-E315 IonicContact NZ-OE1 3.89Å; K48-E315 IonicContact NZ-OE2 2.95Å; K48-E315 PolarHBondContact NZ-OE2 3.03Å
49D87.5Confident80.5Confident100 Ų10096 Ų9654%0.53549%0.494SS..THydrogen-bonded Turntrans-78.7-2.2175.861.18.3000113.6K47 H51K47-D49 WeakPolarHBondContact CB-OD1 3.5Å; K47-D49 PolarHBondContact O-N 2.87Å; K47-D49 VanDerWaalsContact O-N 3.11Å; D49-H51 WeakPolarHBondContact OD1-CB 3.47Å; D49-H51 IonicContact OD1-CD2 3.56Å; D49-H51 IonicContact OD1-CG 3.04Å; D49-H51 PolarHBondContact OD1-N 2.9Å; D49-H51 IonicContact OD2-CD2 2.72Å; D49-H51 PolarHBondContact OD2-CD2 3.34Å
50G87.8Confident81.5Confident3 Ų392.1 Ų92.13%0.03149%0.487CS..SBendtrans84.54.8-179.500000115K47 K48 R308K47-G50 WeakPolarHBondContact O-CA 3.48Å; K47-G50 PolarHBondContact O-N 2.9Å; K48-G50 PolarHBondContact O-N 2.61Å; G50-R308 WeakPolarHBondContact CA-O 3.36Å; G50-R308 PolarHBondContact N-O 2.88Å; G50-R308 PolarHBondContact O-NE 2.9Å; G50-R308 PolarHBondContact O-NH2 2.9Å
51H88.8Confident82.6Confident119 Ų11989.4 Ų89.455%0.55147%0.474SS*.  trans-79126.5174.1-75.8-57.5000111.6K47 D49K47-H51 WeakPolarHBondContact CB-O 3.49Å; K47-H51 PolarHBondContact N-O 3.45Å; D49-H51 WeakPolarHBondContact OD1-CB 3.47Å; D49-H51 IonicContact OD1-CD2 3.56Å; D49-H51 IonicContact OD1-CG 3.04Å; D49-H51 PolarHBondContact OD1-N 2.9Å; D49-H51 IonicContact OD2-CD2 2.72Å; D49-H51 PolarHBondContact OD2-CD2 3.34Å
52C89.8Confident83.2Confident72 Ų7288.3 Ų88.349%0.48646%0.456SS..BIsolated β-bridgetrans-73.7128.7175.9-52.20000110.6V54C52-V54 VanDerWaalsContact C-N 3.29Å; C52-V54 PolarHBondContact O-N 2.9Å
53N89.7Confident83.5Confident85 Ų8587.6 Ų87.646%0.45547%0.467SS..  trans-93.155.2180-17035.5000110.9R44 F45R44-N53 VanDerWaalsContact O-CB 3.29Å; R44-N53 WeakPolarHBondContact O-CB 3.21Å; R44-N53 PolarHBondContact O-ND2 3.41Å; R44-N53 VanDerWaalsContact O-ND2 3.15Å; F45-N53 PolarHBondContact O-N 3.3Å
54V87.6Confident83.3Confident63 Ų6389 Ų8938%0.38246%0.461SS..  trans-126.4130.9-176.9-175.90000109.4F45 C52 F56F45-V54 HydrophobicContact CD2-CG2 3.63Å; F45-V54 HydrophobicContact CE1-CG2 4.47Å; F45-V54 HydrophobicContact CE2-CG2 3.14Å; F45-V54 HydrophobicContact CG-CG2 4.49Å; F45-V54 HydrophobicContact CZ-CG2 3.62Å; C52-V54 VanDerWaalsContact C-N 3.29Å; C52-V54 PolarHBondContact O-N 2.9Å; V54-F56 HydrophobicContact CG1-CE1 4.32Å; V54-F56 HydrophobicContact CG1-CZ 4.37Å
55Q84.3Confident82.7Confident160 Ų16094.1 Ų94.175%0.74848%0.48SS*.  trans-113.5117.1174.5-171174.611.300109.8I57Q55-I57 HydrophobicContact CG-CG2 4.5Å; Q55-I57 PolarHBondContact O-N 3.03Å
56F82.6Confident81.9Confident156 Ų15697.3 Ų97.368%0.68449%0.492SS*.  trans-77.8119.9173.2-57.3-75.2000110V54 V59V54-F56 HydrophobicContact CG1-CE1 4.32Å; V54-F56 HydrophobicContact CG1-CZ 4.37Å; F56-V59 HydrophobicContact CB-CG2 3.88Å
57I83.4Confident80.8Confident128 Ų128103 Ų10366%0.65652%0.522SS*.  trans-109.6151.4173.860.5171.1000109.9Q55 V59Q55-I57 HydrophobicContact CG-CG2 4.5Å; Q55-I57 PolarHBondContact O-N 3.03Å; I57-V59 VanDerWaalsContact C-N 3.32Å; I57-V59 PolarHBondContact O-N 3.05Å
58N78.5Confident80.2Confident160 Ų160102.7 Ų102.786%0.85654%0.537SS*.  trans55.137.1175.9-63.5-19000115.9S60N58-S60 PolarHBondContact O-N 2.97Å
59V77Confident79.9Confident71 Ų71103.2 Ų103.243%0.4354%0.543SS..  trans-76.8103.7167.8-174.90000108.3F56 I57F56-V59 HydrophobicContact CB-CG2 3.88Å; I57-V59 VanDerWaalsContact C-N 3.32Å; I57-V59 PolarHBondContact O-N 3.05Å
60S66.4Low79.7Confident87 Ų87103.5 Ų103.561%0.60854%0.543SS*.THydrogen-bonded Turntrans-57.8144.5174.251.20000110.6N58 K62N58-S60 PolarHBondContact O-N 2.97Å; S60-K62 PolarHBondContact O-N 3.08Å; S60-K62 VanDerWaalsContact O-N 3.15Å
61E70.7Confident79.5Confident110 Ų110108 Ų10851%0.51456%0.562SS.*THydrogen-bonded Turntrans62.418.6175.9-53.9172.8162.700116.5G63 Q64 R65E61-G63 VanDerWaalsContact C-N 3.28Å; E61-G63 PolarHBondContact O-N 2.89Å; E61-Q64 PolarHBondContact O-N 2.83Å; E61-R65 PolarHBondContact O-N 3.16Å; E61-R65 VanDerWaalsContact O-N 3.12Å; E61-R65 IonicContact OE2-CZ 3.27Å; E61-R65 IonicContact OE2-NE 3.99Å; E61-R65 IonicContact OE2-NH2 3.93Å; E61-R65 PolarHBondContact OE2-NH2 2.86Å
62K69.7Low79.4Confident102 Ų102104.8 Ų104.844%0.44355%0.551SS.*Hα-helixtrans-52.3-44.6179.7-165.4178.4-177.8177.60112.6S60 Q64 Y66S60-K62 PolarHBondContact O-N 3.08Å; S60-K62 VanDerWaalsContact O-N 3.15Å; K62-Q64 PolarHBondContact O-N 2.9Å; K62-Y66 HydrophobicContact CD-CE2 4.3Å; K62-Y66 HydrophobicContact CG-CD2 3.85Å; K62-Y66 HydrophobicContact CG-CE2 3.52Å; K62-Y66 WeakPolarHBondContact O-CD2 3.38Å; K62-Y66 PolarHBondContact O-N 3.21Å
63G70.6Confident79.2Confident51 Ų51103.4 Ų103.453%0.52654%0.54SS..Hα-helixtrans-61.8-45.3-18000000113.5E61 Y66 L67E61-G63 VanDerWaalsContact C-N 3.28Å; E61-G63 PolarHBondContact O-N 2.89Å; G63-Y66 PolarHBondContact O-N 3.43Å; G63-L67 WeakPolarHBondContact O-CB 3.45Å; G63-L67 VanDerWaalsContact O-CG 3.28Å; G63-L67 WeakPolarHBondContact O-CG 3.43Å; G63-L67 PolarHBondContact O-N 2.97Å
64Q73.5Confident79.1Confident138 Ų138100 Ų10065%0.64552%0.522SS*.Hα-helixtrans-67.9-39.4-178.2-77.6177.8-21.100112.3E61 K62 L67 A68E61-Q64 PolarHBondContact O-N 2.83Å; K62-Q64 PolarHBondContact O-N 2.9Å; Q64-L67 CarbonylContact O-C 3.6Å; Q64-L67 PolarHBondContact O-N 3.17Å; Q64-A68 PolarHBondContact O-N 3.35Å
65R76.9Confident79.1Confident145 Ų14597.1 Ų97.155%0.54751%0.505SS..Hα-helixtrans-67.1-38.8178.9-65.5-178.8-171.6-179.64.4112.5E61 A68 D69E61-R65 PolarHBondContact O-N 3.16Å; E61-R65 VanDerWaalsContact O-N 3.12Å; E61-R65 IonicContact OE2-CZ 3.27Å; E61-R65 IonicContact OE2-NE 3.99Å; E61-R65 IonicContact OE2-NH2 3.93Å; E61-R65 PolarHBondContact OE2-NH2 2.86Å; R65-A68 PolarHBondContact O-N 2.93Å; R65-D69 PolarHBondContact O-N 3.37Å
66Y75.7Confident79.3Confident130 Ų13094.3 Ų94.351%0.5150%0.496SS..Hα-helixtrans-70.8-31.5175-79-108.7000112.1K62 G63 D69 T73K62-Y66 HydrophobicContact CD-CE2 4.3Å; K62-Y66 HydrophobicContact CG-CD2 3.85Å; K62-Y66 HydrophobicContact CG-CE2 3.52Å; K62-Y66 WeakPolarHBondContact O-CD2 3.38Å; K62-Y66 PolarHBondContact O-N 3.21Å; G63-Y66 PolarHBondContact O-N 3.43Å; Y66-D69 CarbonylContact O-C 3.32Å; Y66-D69 PolarHBondContact O-N 3.34Å; Y66-T73 PolarHBondContact O-OG1 2.91Å
67L73.1Confident79.6Confident124 Ų12489 Ų8965%0.64947%0.474SS*.Hα-helixtrans-76.9-21.1173.5-71.3175.6000113.7G63 Q64 D69 I70G63-L67 WeakPolarHBondContact O-CB 3.45Å; G63-L67 VanDerWaalsContact O-CG 3.28Å; G63-L67 WeakPolarHBondContact O-CG 3.43Å; G63-L67 PolarHBondContact O-N 2.97Å; Q64-L67 CarbonylContact O-C 3.6Å; Q64-L67 PolarHBondContact O-N 3.17Å; L67-D69 VanDerWaalsContact C-N 3.27Å; L67-I70 VanDerWaalsContact O-CD1 3.32Å; L67-I70 WeakPolarHBondContact O-CD1 3.44Å; L67-I70 WeakPolarHBondContact O-CG1 3.28Å
68A79.2Confident79.9Confident90 Ų9092 Ų9274%0.74448%0.477SS*.Hα-helixtrans-72.1-28.3169.800000111.2Q64 R65Q64-A68 PolarHBondContact O-N 3.35Å; R65-A68 PolarHBondContact O-N 2.93Å
69D85Confident80.5Confident74 Ų7489.4 Ų89.440%0.39646%0.455SS..  trans-112.861.2179.4-163.63.8000112R65 Y66 L67 F71 T72 T73R65-D69 PolarHBondContact O-N 3.37Å; Y66-D69 CarbonylContact O-C 3.32Å; Y66-D69 PolarHBondContact O-N 3.34Å; L67-D69 VanDerWaalsContact C-N 3.27Å; D69-F71 VanDerWaalsContact C-N 3.29Å; D69-F71 PolarHBondContact O-N 3.27Å; D69-T72 PolarHBondContact O-OG1 3.14Å; D69-T72 VanDerWaalsContact OD1-CG2 3.24Å; D69-T72 WeakPolarHBondContact OD1-CG2 3.23Å; D69-T72 PolarHBondContact OD1-N 3.41Å; D69-T72 PolarHBondContact OD1-OG1 3.49Å; D69-T72 WeakPolarHBondContact OD2-CB 3.41Å; D69-T72 WeakPolarHBondContact OD2-CG2 3.39Å; D69-T72 PolarHBondContact OD2-OG1 2.99Å; D69-T73 VanDerWaalsContact O-CB 3.3Å; D69-T73 WeakPolarHBondContact O-CB 3.46Å; D69-T73 PolarHBondContact O-N 3.29Å; D69-T73 VanDerWaalsContact O-N 3.15Å; D69-T73 PolarHBondContact O-OG1 2.99Å
70I83.8Confident81.3Confident105 Ų10595.9 Ų95.954%0.53847%0.472SS..Hα-helixtrans-61.6-37.8-177.3-72.2158.4000111.5L67 C74L67-I70 VanDerWaalsContact O-CD1 3.32Å; L67-I70 WeakPolarHBondContact O-CD1 3.44Å; L67-I70 WeakPolarHBondContact O-CG1 3.28Å; I70-C74 WeakPolarHBondContact O-CB 3.32Å; I70-C74 PolarHBondContact O-N 3.18Å
71F84.1Confident82.5Confident97 Ų9799 Ų9943%0.42547%0.47SS..Hα-helixtrans-66.8-51.1-176.1-178.8-101000111.4D69 T73 C74 V75 F170 A177D69-F71 VanDerWaalsContact C-N 3.29Å; D69-F71 PolarHBondContact O-N 3.27Å; F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 3.13Å; F71-C74 PolarHBondContact O-N 2.85Å; F71-V75 HydrophobicContact CE1-CG2 4.17Å; F71-V75 HydrophobicContact CE2-CG2 4.25Å; F71-V75 HydrophobicContact CZ-CG2 4.03Å; F71-V75 WeakPolarHBondContact O-CG2 3.48Å; F71-V75 PolarHBondContact O-N 3.37Å; F71-F170 HydrophobicContact CD2-CE2 4.22Å; F71-F170 HydrophobicContact CD2-CZ 4.43Å; F71-A177 HydrophobicContact CZ-CB 3.9Å
72T85.1Confident83.5Confident53 Ų5393.8 Ų93.833%0.32545%0.446SS..Hα-helixtrans-64.4-40.6178.767.10000110.9D69 C74 V75 D76D69-T72 PolarHBondContact O-OG1 3.14Å; D69-T72 VanDerWaalsContact OD1-CG2 3.24Å; D69-T72 WeakPolarHBondContact OD1-CG2 3.23Å; D69-T72 PolarHBondContact OD1-N 3.41Å; D69-T72 PolarHBondContact OD1-OG1 3.49Å; D69-T72 WeakPolarHBondContact OD2-CB 3.41Å; D69-T72 WeakPolarHBondContact OD2-CG2 3.39Å; D69-T72 PolarHBondContact OD2-OG1 2.99Å; T72-C74 VanDerWaalsContact C-N 3.35Å; T72-C74 PolarHBondContact O-N 2.99Å; T72-V75 PolarHBondContact O-N 3.31Å; T72-V75 VanDerWaalsContact O-N 3.13Å; T72-D76 WeakPolarHBondContact O-CB 3.29Å; T72-D76 PolarHBondContact O-N 2.81Å
73T86.7Confident84.7Confident43 Ų4394.1 Ų94.126%0.26445%0.447SS..Hα-helixtrans-58.5-46176.8-60.30000111.1Y66 D69 F71 V75 D76 I77Y66-T73 PolarHBondContact O-OG1 2.91Å; D69-T73 VanDerWaalsContact O-CB 3.3Å; D69-T73 WeakPolarHBondContact O-CB 3.46Å; D69-T73 PolarHBondContact O-N 3.29Å; D69-T73 VanDerWaalsContact O-N 3.15Å; D69-T73 PolarHBondContact O-OG1 2.99Å; F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 3.13Å; T73-V75 VanDerWaalsContact C-N 3.34Å; T73-V75 PolarHBondContact O-N 3.26Å; T73-D76 PolarHBondContact O-N 3.05Å; T73-I77 WeakPolarHBondContact O-CG2 3.03Å; T73-I77 PolarHBondContact O-N 2.88Å; T73-I77 VanDerWaalsContact O-N 3.13Å
74C87.1Confident85.8Confident12 Ų1295.6 Ų95.68%0.08145%0.446CS..Hα-helixtrans-63.6-37.4176.9-171.80000112.4I70 F71 T72 I77I70-C74 WeakPolarHBondContact O-CB 3.32Å; I70-C74 PolarHBondContact O-N 3.18Å; F71-C74 PolarHBondContact O-N 2.85Å; T72-C74 VanDerWaalsContact C-N 3.35Å; T72-C74 PolarHBondContact O-N 2.99Å; C74-I77 WeakPolarHBondContact O-CG1 3.4Å
75V88.5Confident86.7Confident3 Ų392.9 Ų92.92%0.01844%0.435CS..Hα-helixtrans-74.8-27.5178.1178.80000111.6F71 T72 T73 A177 K178 K181F71-V75 HydrophobicContact CE1-CG2 4.17Å; F71-V75 HydrophobicContact CE2-CG2 4.25Å; F71-V75 HydrophobicContact CZ-CG2 4.03Å; F71-V75 WeakPolarHBondContact O-CG2 3.48Å; F71-V75 PolarHBondContact O-N 3.37Å; T72-V75 PolarHBondContact O-N 3.31Å; T72-V75 VanDerWaalsContact O-N 3.13Å; T73-V75 VanDerWaalsContact C-N 3.34Å; T73-V75 PolarHBondContact O-N 3.26Å; V75-A177 HydrophobicContact CG1-CB 4.49Å; V75-A177 HydrophobicContact CG2-CB 4.14Å; V75-K178 HydrophobicContact CG1-CB 4.02Å; V75-K178 HydrophobicContact CG1-CG 4.46Å; V75-K178 PolarHBondContact O-NZ 3.41Å; V75-K181 HydrophobicContact CG1-CD 3.7Å; V75-K181 VanDerWaalsContact CG1-CE 3.4Å; V75-K181 HydrophobicContact CG1-CG 4.39Å
76D86.8Confident87.5Confident102 Ų10286.6 Ų86.655%0.54541%0.412SS..Hα-helixtrans-86.8-25-178-80.1-33.8000115.5T72 T73 K181T72-D76 WeakPolarHBondContact O-CB 3.29Å; T72-D76 PolarHBondContact O-N 2.81Å; T73-D76 PolarHBondContact O-N 3.05Å; D76-K181 IonicContact OD1-NZ 3.45Å; D76-K181 PolarHBondContact OD1-NZ 3.39Å; D76-K181 IonicContact OD2-NZ 3.6Å; D76-K181 PolarHBondContact OD2-NZ 3.45Å
77I88.7Confident88.4Confident44 Ų4484 Ų8423%0.22641%0.412CS..SBendtrans-59.1158.2175.553166.6000112.5T73 C74 W81 M82 I85 K178T73-I77 WeakPolarHBondContact O-CG2 3.03Å; T73-I77 PolarHBondContact O-N 2.88Å; T73-I77 VanDerWaalsContact O-N 3.13Å; C74-I77 WeakPolarHBondContact O-CG1 3.4Å; I77-W81 HydrophobicContact CD1-CB 4.21Å; I77-M82 HydrophobicContact CD1-CB 3.91Å; I77-M82 HydrophobicContact CD1-CG 4.45Å; I77-M82 HydrophobicContact CG1-CB 4.25Å; I77-I85 HydrophobicContact CD1-CD1 3.53Å; I77-K178 VanDerWaalsContact O-CE 3.3Å; I77-K178 WeakPolarHBondContact O-CE 3.34Å; I77-K178 PolarHBondContact O-NZ 3.19Å
78R90.8Very high89.5Confident192 Ų19282.5 Ų82.573%0.72540%0.404SS*.  trans-64.1148.1177.7-59.6-178.9-175.7156.1-0.4110.5R80 W81 M82R78-R80 PolarHBondContact O-N 3.27Å; R78-R80 VanDerWaalsContact O-N 3.11Å; R78-W81 PolarHBondContact O-N 3.49Å; R78-M82 PolarHBondContact O-N 2.9Å; R78-M82 VanDerWaalsContact O-N 3.09Å
79W91.2Very high90.2Very high105 Ų10580 Ų8040%0.39838%0.384SS..Hα-helixtrans-46.7-44.2178.1-80.6102.2000113.7W81 M82 F83 V175 K178 M179W79-W81 VanDerWaalsContact C-N 3.33Å; W79-W81 PolarHBondContact O-N 2.92Å; W79-M82 HydrophobicContact CD2-CE 4.34Å; W79-M82 HydrophobicContact CE3-CE 3.37Å; W79-M82 HydrophobicContact CH2-CE 4.03Å; W79-M82 HydrophobicContact CZ3-CE 3.19Å; W79-M82 PolarHBondContact O-N 2.87Å; W79-F83 HydrophobicContact CB-CD2 4.48Å; W79-F83 HydrophobicContact CB-CE2 4.27Å; W79-F83 HydrophobicContact CD2-CE2 4.44Å; W79-F83 HydrophobicContact CE3-CD2 4.4Å; W79-F83 AromaticContact CE3-CE2 3.58Å; W79-F83 HydrophobicContact CE3-CE2 3.58Å; W79-F83 AromaticContact CE3-CZ 3.68Å; W79-F83 HydrophobicContact CE3-CZ 3.68Å; W79-F83 HydrophobicContact CZ3-CE2 4.32Å; W79-F83 AromaticContact CZ3-CZ 3.94Å; W79-F83 HydrophobicContact CZ3-CZ 3.94Å; W79-F83 WeakPolarHBondContact O-CD2 3.45Å; W79-F83 PolarHBondContact O-N 3.04Å; W79-V175 HydrophobicContact CH2-CG1 4.35Å; W79-V175 HydrophobicContact CZ3-CG1 4.48Å; W79-K178 HydrophobicContact CD2-CD 3.98Å; W79-K178 HydrophobicContact CE3-CD 4.23Å; W79-K178 HydrophobicContact CH2-CB 4.35Å; W79-K178 HydrophobicContact CH2-CD 4.08Å; W79-K178 HydrophobicContact CH2-CG 4.2Å; W79-K178 HydrophobicContact CZ2-CB 4.29Å; W79-K178 HydrophobicContact CZ2-CD 3.82Å; W79-K178 HydrophobicContact CZ2-CG 3.74Å; W79-K178 HydrophobicContact CZ3-CD 4.29Å; W79-M179 HydrophobicContact CH2-CG 3.72Å; W79-M179 HydrophobicContact CZ2-CG 4.01Å
80R93.3Very high90.7Very high206 Ų20678.7 Ų78.778%0.77738%0.375SS*.Hα-helixtrans-55-46.6178.4-66.2-177.1174.1104.7-0.1112.6R78 V84R78-R80 PolarHBondContact O-N 3.27Å; R78-R80 VanDerWaalsContact O-N 3.11Å; R80-V84 VanDerWaalsContact O-CG2 3.29Å; R80-V84 WeakPolarHBondContact O-CG2 3.48Å; R80-V84 PolarHBondContact O-N 2.99Å; R80-V84 VanDerWaalsContact O-N 3.11Å
81W92.6Very high91.2Very high154 Ų15477.6 Ų77.658%0.58337%0.369SS*.Hα-helixtrans-73.1-35180-67116.2000112.1I77 R78 W79 V84 I85I77-W81 HydrophobicContact CD1-CB 4.21Å; R78-W81 PolarHBondContact O-N 3.49Å; W79-W81 VanDerWaalsContact C-N 3.33Å; W79-W81 PolarHBondContact O-N 2.92Å; W81-V84 PolarHBondContact O-N 3.25Å; W81-I85 VanDerWaalsContact O-CG1 3.32Å; W81-I85 WeakPolarHBondContact O-CG1 3.29Å; W81-I85 PolarHBondContact O-N 3.08Å
82M92.1Very high91.8Very high0 Ų077.7 Ų77.70%037%0.374CS..Hα-helixtrans-61.7-46.1175-168-175.373.900111.2I77 R78 W79 V84 I85 F86 V175 K178I77-M82 HydrophobicContact CD1-CB 3.91Å; I77-M82 HydrophobicContact CD1-CG 4.45Å; I77-M82 HydrophobicContact CG1-CB 4.25Å; R78-M82 PolarHBondContact O-N 2.9Å; R78-M82 VanDerWaalsContact O-N 3.09Å; W79-M82 HydrophobicContact CD2-CE 4.34Å; W79-M82 HydrophobicContact CE3-CE 3.37Å; W79-M82 HydrophobicContact CH2-CE 4.03Å; W79-M82 HydrophobicContact CZ3-CE 3.19Å; W79-M82 PolarHBondContact O-N 2.87Å; M82-V84 PolarHBondContact O-N 3.08Å; M82-I85 PolarHBondContact O-N 2.6Å; M82-F86 HydrophobicContact CE-CE2 3.75Å; M82-F86 HydrophobicContact CE-CZ 4.48Å; M82-F86 HydrophobicContact CG-CD2 4.13Å; M82-F86 HydrophobicContact CG-CE1 4.3Å; M82-F86 HydrophobicContact CG-CE2 3.47Å; M82-F86 VanDerWaalsContact CG-CE2 3.47Å; M82-F86 HydrophobicContact CG-CZ 3.56Å; M82-F86 WeakPolarHBondContact O-CG 3.31Å; M82-F86 PolarHBondContact O-N 2.69Å; M82-F86 HydrophobicContact SD-CE2 3.78Å; M82-F86 HydrophobicContact SD-CZ 3.93Å; M82-V175 HydrophobicContact CE-CG2 3.9Å; M82-K178 HydrophobicContact CE-CD 3.74Å; M82-K178 HydrophobicContact SD-CB 4.42Å; M82-K178 HydrophobicContact SD-CD 3.34Å; M82-K178 WeakPolarHBondContact SD-CD 3.35Å
83F92.8Very high92.4Very high108 Ų10875.8 Ų75.847%0.47436%0.363SS..Hα-helixtrans-61.5-42.2174.5-73.2-58.5000112.4W79 I85 F86 C87W79-F83 HydrophobicContact CB-CD2 4.48Å; W79-F83 HydrophobicContact CB-CE2 4.27Å; W79-F83 HydrophobicContact CD2-CE2 4.44Å; W79-F83 HydrophobicContact CE3-CD2 4.4Å; W79-F83 AromaticContact CE3-CE2 3.58Å; W79-F83 HydrophobicContact CE3-CE2 3.58Å; W79-F83 AromaticContact CE3-CZ 3.68Å; W79-F83 HydrophobicContact CE3-CZ 3.68Å; W79-F83 HydrophobicContact CZ3-CE2 4.32Å; W79-F83 AromaticContact CZ3-CZ 3.94Å; W79-F83 HydrophobicContact CZ3-CZ 3.94Å; W79-F83 WeakPolarHBondContact O-CD2 3.45Å; W79-F83 PolarHBondContact O-N 3.04Å; F83-I85 VanDerWaalsContact C-N 3.33Å; F83-I85 PolarHBondContact O-N 3.26Å; F83-F86 PolarHBondContact O-N 2.7Å; F83-C87 WeakPolarHBondContact O-CB 3.39Å; F83-C87 PolarHBondContact O-N 2.96Å; F83-C87 PolarHBondContact O-SG 3.36Å
84V94.7Very high92.8Very high82 Ų8276.1 Ų76.150%0.49736%0.359SS..Hα-helixtrans-60-43.3176.1169.50000111.4R80 W81 M82 L88R80-V84 VanDerWaalsContact O-CG2 3.29Å; R80-V84 WeakPolarHBondContact O-CG2 3.48Å; R80-V84 PolarHBondContact O-N 2.99Å; R80-V84 VanDerWaalsContact O-N 3.11Å; W81-V84 PolarHBondContact O-N 3.25Å; M82-V84 PolarHBondContact O-N 3.08Å; V84-L88 VanDerWaalsContact O-CB 3.27Å; V84-L88 WeakPolarHBondContact O-CB 3.42Å; V84-L88 PolarHBondContact O-N 3.23Å
85I92.5Very high93.3Very high82 Ų8278.9 Ų78.942%0.42137%0.373SS..Hα-helixtrans-63.6-43.9178-69.9168.3000111.1I77 W81 M82 F83 L88 A89I77-I85 HydrophobicContact CD1-CD1 3.53Å; W81-I85 VanDerWaalsContact O-CG1 3.32Å; W81-I85 WeakPolarHBondContact O-CG1 3.29Å; W81-I85 PolarHBondContact O-N 3.08Å; M82-I85 PolarHBondContact O-N 2.6Å; F83-I85 VanDerWaalsContact C-N 3.33Å; F83-I85 PolarHBondContact O-N 3.26Å; I85-L88 PolarHBondContact O-N 3.08Å; I85-A89 WeakPolarHBondContact O-CB 3.48Å; I85-A89 PolarHBondContact O-N 3.42Å
86F93.7Very high93.7Very high13 Ų1384.4 Ų84.46%0.05740%0.397CS..Hα-helixtrans-67-43.7178.1-63.7-22.2000112.7M82 F83 L88 A89 F90 I171 A174 V175M82-F86 HydrophobicContact CE-CE2 3.75Å; M82-F86 HydrophobicContact CE-CZ 4.48Å; M82-F86 HydrophobicContact CG-CD2 4.13Å; M82-F86 HydrophobicContact CG-CE1 4.3Å; M82-F86 HydrophobicContact CG-CE2 3.47Å; M82-F86 VanDerWaalsContact CG-CE2 3.47Å; M82-F86 HydrophobicContact CG-CZ 3.56Å; M82-F86 WeakPolarHBondContact O-CG 3.31Å; M82-F86 PolarHBondContact O-N 2.69Å; M82-F86 HydrophobicContact SD-CE2 3.78Å; M82-F86 HydrophobicContact SD-CZ 3.93Å; F83-F86 PolarHBondContact O-N 2.7Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 PolarHBondContact O-N 3.23Å; F86-A89 PolarHBondContact O-N 3.49Å; F86-F90 WeakPolarHBondContact O-CD2 3.36Å; F86-F90 PolarHBondContact O-N 2.96Å; F86-I171 HydrophobicContact CB-CD1 4.06Å; F86-I171 HydrophobicContact CB-CG1 4.33Å; F86-I171 HydrophobicContact CD1-CD1 4.3Å; F86-I171 HydrophobicContact CD1-CG1 3.73Å; F86-I171 HydrophobicContact CD2-CG1 4.29Å; F86-I171 HydrophobicContact CD2-CG2 3.79Å; F86-I171 HydrophobicContact CE1-CG1 4.05Å; F86-I171 HydrophobicContact CE2-CG2 3.96Å; F86-I171 HydrophobicContact CG-CD1 4.17Å; F86-I171 HydrophobicContact CG-CG1 3.88Å; F86-I171 HydrophobicContact CG-CG2 4.2Å; F86-I171 HydrophobicContact CZ-CG1 4.46Å; F86-A174 HydrophobicContact CE1-CB 4.49Å; F86-A174 HydrophobicContact CZ-CB 3.75Å; F86-V175 HydrophobicContact CD2-CG2 4.49Å; F86-V175 HydrophobicContact CE2-CG2 3.77Å
87C94.8Very high94.1Very high74 Ų7479.8 Ų79.850%0.537%0.372SS..Hα-helixtrans-58.7-42.4173.2-70.10000111.2F83 F90 L91F83-C87 WeakPolarHBondContact O-CB 3.39Å; F83-C87 PolarHBondContact O-N 2.96Å; F83-C87 PolarHBondContact O-SG 3.36Å; C87-F90 PolarHBondContact O-N 2.99Å; C87-L91 WeakPolarHBondContact O-CB 3.29Å; C87-L91 VanDerWaalsContact O-CG 3.27Å; C87-L91 WeakPolarHBondContact O-CG 3.34Å; C87-L91 PolarHBondContact O-N 3.17Å
88L95.3Very high94.5Very high93 Ų9377.7 Ų77.749%0.48736%0.361SS..Hα-helixtrans-65.3-40.4177.3-174.964.9000111.8V84 I85 F86 L91 L92V84-L88 VanDerWaalsContact O-CB 3.27Å; V84-L88 WeakPolarHBondContact O-CB 3.42Å; V84-L88 PolarHBondContact O-N 3.23Å; I85-L88 PolarHBondContact O-N 3.08Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 PolarHBondContact O-N 3.23Å; L88-L91 PolarHBondContact O-N 2.82Å; L88-L92 HydrophobicContact CD1-CD1 4.07Å; L88-L92 HydrophobicContact CD1-CG 4Å; L88-L92 HydrophobicContact CD2-CD1 4.39Å; L88-L92 HydrophobicContact CG-CD1 3.8Å; L88-L92 HydrophobicContact CG-CG 4.16Å; L88-L92 VanDerWaalsContact O-CB 3.3Å; L88-L92 WeakPolarHBondContact O-CB 3.13Å; L88-L92 WeakPolarHBondContact O-CG 3.5Å; L88-L92 PolarHBondContact O-N 3.49Å
89A94.1Very high94.7Very high39 Ų3971.1 Ų71.132%0.32234%0.344SS..Hα-helixtrans-61.6-43.4176.600000112.2I85 F86 S93I85-A89 WeakPolarHBondContact O-CB 3.48Å; I85-A89 PolarHBondContact O-N 3.42Å; F86-A89 PolarHBondContact O-N 3.49Å; A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 3.25Å; A89-S93 PolarHBondContact O-OG 3.11Å
90F95.1Very high94.9Very high46 Ų4667.3 Ų67.320%0.20233%0.332CS..Hα-helixtrans-64.3-49.1173.3-78-57.4000112.2F86 C87 L92 S93 W94 I167 D168 I171F86-F90 WeakPolarHBondContact O-CD2 3.36Å; F86-F90 PolarHBondContact O-N 2.96Å; C87-F90 PolarHBondContact O-N 2.99Å; F90-L92 VanDerWaalsContact C-N 3.33Å; F90-L92 PolarHBondContact O-N 3.09Å; F90-S93 WeakPolarHBondContact CA-OG 3.23Å; F90-S93 PolarHBondContact O-N 3.02Å; F90-S93 PolarHBondContact O-OG 2.75Å; F90-W94 HydrophobicContact CB-CD2 4.41Å; F90-W94 HydrophobicContact CB-CH2 4.05Å; F90-W94 HydrophobicContact CB-CZ2 3.84Å; F90-W94 HydrophobicContact CB-CZ3 4.42Å; F90-W94 HydrophobicContact CD1-CZ2 4.13Å; F90-W94 HydrophobicContact CG-CZ2 4.14Å; F90-W94 WeakPolarHBondContact O-CB 3.3Å; F90-W94 VanDerWaalsContact O-CD2 3.32Å; F90-W94 PolarHBondContact O-N 3.3Å; F90-I167 HydrophobicContact CD1-CG2 4.2Å; F90-I167 HydrophobicContact CE1-CG2 3.82Å; F90-I167 HydrophobicContact CZ-CG2 4.23Å; F90-D168 VanDerWaalsContact CE1-OD1 3.28Å; F90-D168 WeakPolarHBondContact CE1-OD1 3.33Å; F90-D168 VanDerWaalsContact CZ-OD1 3.23Å; F90-D168 WeakPolarHBondContact CZ-OD1 3.38Å; F90-I171 HydrophobicContact CD2-CD1 4.01Å; F90-I171 HydrophobicContact CE1-CD1 4.27Å; F90-I171 HydrophobicContact CE2-CD1 3.23Å; F90-I171 HydrophobicContact CZ-CD1 3.39Å
91L95.9Very high94.9Very high82 Ų8257.6 Ų57.643%0.42930%0.296SS..Hα-helixtrans-60-43.3179.6-73.3170.6000112.1C87 L88 W94 L95C87-L91 WeakPolarHBondContact O-CB 3.29Å; C87-L91 VanDerWaalsContact O-CG 3.27Å; C87-L91 WeakPolarHBondContact O-CG 3.34Å; C87-L91 PolarHBondContact O-N 3.17Å; L88-L91 PolarHBondContact O-N 2.82Å; L91-W94 HydrophobicContact CD2-CE3 4.04Å; L91-W94 HydrophobicContact CD2-CZ3 4.12Å; L91-L95 VanDerWaalsContact O-CB 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 2.73Å
92L96.4Very high94.9Very high99 Ų9954.1 Ų54.152%0.51828%0.282SS..Hα-helixtrans-67-40.1178.7-71.7175.7000112.1L88 F90 F96L88-L92 HydrophobicContact CD1-CD1 4.07Å; L88-L92 HydrophobicContact CD1-CG 4Å; L88-L92 HydrophobicContact CD2-CD1 4.39Å; L88-L92 HydrophobicContact CG-CD1 3.8Å; L88-L92 HydrophobicContact CG-CG 4.16Å; L88-L92 VanDerWaalsContact O-CB 3.3Å; L88-L92 WeakPolarHBondContact O-CB 3.13Å; L88-L92 WeakPolarHBondContact O-CG 3.5Å; L88-L92 PolarHBondContact O-N 3.49Å; F90-L92 VanDerWaalsContact C-N 3.33Å; F90-L92 PolarHBondContact O-N 3.09Å; L92-F96 VanDerWaalsContact O-CB 3.25Å; L92-F96 WeakPolarHBondContact O-CB 3.41Å; L92-F96 PolarHBondContact O-N 3.44Å
93S96.4Very high94.9Very high13 Ų1358.1 Ų58.19%0.09130%0.303CS..Hα-helixtrans-66.2-45.5175.552.80000111.7A89 F90 L95 F96 F97 Q136A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 3.25Å; A89-S93 PolarHBondContact O-OG 3.11Å; F90-S93 WeakPolarHBondContact CA-OG 3.23Å; F90-S93 PolarHBondContact O-N 3.02Å; F90-S93 PolarHBondContact O-OG 2.75Å; S93-L95 VanDerWaalsContact C-N 3.35Å; S93-L95 PolarHBondContact O-N 2.95Å; S93-F96 PolarHBondContact O-N 2.92Å; S93-F97 VanDerWaalsContact O-CD2 3.3Å; S93-F97 WeakPolarHBondContact O-CD2 3.48Å; S93-F97 PolarHBondContact O-N 3.12Å; S93-Q136 PolarHBondContact OG-NE2 3.4Å
94W96.9Very high94.7Very high49 Ų4954.2 Ų54.219%0.18629%0.288CS..Hα-helixtrans-61.5-42.1176.5-61.1-22.9000112.5F90 L91 G98 F129 S132 I133 T137F90-W94 HydrophobicContact CB-CD2 4.41Å; F90-W94 HydrophobicContact CB-CH2 4.05Å; F90-W94 HydrophobicContact CB-CZ2 3.84Å; F90-W94 HydrophobicContact CB-CZ3 4.42Å; F90-W94 HydrophobicContact CD1-CZ2 4.13Å; F90-W94 HydrophobicContact CG-CZ2 4.14Å; F90-W94 WeakPolarHBondContact O-CB 3.3Å; F90-W94 VanDerWaalsContact O-CD2 3.32Å; F90-W94 PolarHBondContact O-N 3.3Å; L91-W94 HydrophobicContact CD2-CE3 4.04Å; L91-W94 HydrophobicContact CD2-CZ3 4.12Å; W94-G98 WeakPolarHBondContact O-CA 3.38Å; W94-G98 PolarHBondContact O-N 2.83Å; W94-F129 HydrophobicContact CB-CD2 4.37Å; W94-F129 HydrophobicContact CB-CE2 3.67Å; W94-F129 HydrophobicContact CB-CZ 4.39Å; W94-S132 PolarHBondContact O-OG 2.94Å; W94-I133 HydrophobicContact CB-CG1 4.01Å; W94-I133 HydrophobicContact CD2-CG1 3.77Å; W94-I133 HydrophobicContact CE3-CD1 4.21Å; W94-I133 HydrophobicContact CE3-CG1 3.92Å; W94-I133 HydrophobicContact CG-CG1 3.81Å; W94-T137 HydrophobicContact CZ2-CG2 3.71Å
95L96.8Very high94.4Very high71 Ų7150.4 Ų50.437%0.37227%0.266SS..Hα-helixtrans-65.3-43.9175.5-75.9170.5000111.5L91 S93 G98 C99 F125 F129L91-L95 VanDerWaalsContact O-CB 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 2.73Å; S93-L95 VanDerWaalsContact C-N 3.35Å; S93-L95 PolarHBondContact O-N 2.95Å; L95-G98 PolarHBondContact O-N 3.09Å; L95-C99 WeakPolarHBondContact O-CB 3.23Å; L95-C99 PolarHBondContact O-N 3.46Å; L95-C99 PolarHBondContact O-SG 2.94Å; L95-F125 HydrophobicContact CD2-CE1 4.35Å; L95-F125 HydrophobicContact CD2-CZ 4.27Å; L95-F129 HydrophobicContact CD2-CD2 3.87Å; L95-F129 HydrophobicContact CD2-CE2 3.69Å; L95-F129 HydrophobicContact CD2-CZ 4.44Å; L95-F129 HydrophobicContact CG-CD2 4.4Å; L95-F129 HydrophobicContact CG-CE2 3.88Å
96F96.7Very high94.2Very high119 Ų11950.3 Ų50.352%0.52227%0.265SS..Hα-helixtrans-59-53.8177.9173.7-99.5000111.3L92 S93 G98 C99 V100L92-F96 VanDerWaalsContact O-CB 3.25Å; L92-F96 WeakPolarHBondContact O-CB 3.41Å; L92-F96 PolarHBondContact O-N 3.44Å; S93-F96 PolarHBondContact O-N 2.92Å; F96-G98 PolarHBondContact O-N 3.17Å; F96-C99 WeakPolarHBondContact O-CB 3.5Å; F96-C99 PolarHBondContact O-N 3.09Å; F96-V100 HydrophobicContact CE1-CG2 4.19Å; F96-V100 HydrophobicContact CE2-CG2 4.41Å; F96-V100 HydrophobicContact CZ-CG2 4.11Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.88Å
97F96.1Very high93.8Very high4 Ų458.1 Ų58.12%0.01830%0.299CS..Hα-helixtrans-67.3-35.4178.9-76.9-70.1000112.5S93 C99 V100 F101 S132 F159 Q160 V163S93-F97 VanDerWaalsContact O-CD2 3.3Å; S93-F97 WeakPolarHBondContact O-CD2 3.48Å; S93-F97 PolarHBondContact O-N 3.12Å; F97-C99 PolarHBondContact O-N 3.44Å; F97-V100 PolarHBondContact O-N 2.98Å; F97-V100 VanDerWaalsContact O-N 3.17Å; F97-F101 HydrophobicContact CB-CE2 4.28Å; F97-F101 WeakPolarHBondContact O-CD2 3.48Å; F97-F101 PolarHBondContact O-N 2.99Å; F97-S132 VanDerWaalsContact CB-OG 3.29Å; F97-S132 WeakPolarHBondContact CB-OG 3.29Å; F97-F159 AromaticContact CE1-CD1 3.76Å; F97-F159 HydrophobicContact CE1-CD1 3.76Å; F97-F159 HydrophobicContact CE1-CE1 4.2Å; F97-F159 AromaticContact CZ-CD1 3.81Å; F97-F159 HydrophobicContact CZ-CD1 3.81Å; F97-F159 AromaticContact CZ-CE1 3.93Å; F97-F159 HydrophobicContact CZ-CE1 3.93Å; F97-Q160 HydrophobicContact CB-CG 4.37Å; F97-Q160 HydrophobicContact CD1-CB 3.77Å; F97-Q160 HydrophobicContact CD1-CG 3.96Å; F97-Q160 HydrophobicContact CD2-CB 4.29Å; F97-Q160 HydrophobicContact CD2-CG 3.72Å; F97-Q160 HydrophobicContact CE1-CB 3.63Å; F97-Q160 HydrophobicContact CE1-CG 4.14Å; F97-Q160 HydrophobicContact CE2-CB 4.18Å; F97-Q160 HydrophobicContact CE2-CG 3.92Å; F97-Q160 HydrophobicContact CG-CB 4.11Å; F97-Q160 HydrophobicContact CG-CG 3.75Å; F97-Q160 HydrophobicContact CZ-CB 3.86Å; F97-Q160 HydrophobicContact CZ-CG 4.14Å; F97-V163 HydrophobicContact CE2-CB 4.32Å; F97-V163 HydrophobicContact CE2-CG1 4.14Å; F97-V163 HydrophobicContact CZ-CB 4.29Å; F97-V163 HydrophobicContact CZ-CG1 4.49Å; F97-V163 HydrophobicContact CZ-CG2 4.38Å
98G95.6Very high93.3Very high0 Ų059 Ų590%030%0.296CS..Hα-helixtrans-61.4-42.4173.400000112.3W94 L95 F96 W102 A128 S132W94-G98 WeakPolarHBondContact O-CA 3.38Å; W94-G98 PolarHBondContact O-N 2.83Å; L95-G98 PolarHBondContact O-N 3.09Å; F96-G98 PolarHBondContact O-N 3.17Å; G98-W102 WeakPolarHBondContact O-CB 3.42Å; G98-W102 PolarHBondContact O-N 2.81Å; G98-A128 WeakPolarHBondContact O-CB 3.13Å; G98-S132 PolarHBondContact N-OG 3.16Å
99C95.8Very high92.7Very high54 Ų5455.6 Ų55.637%0.36528%0.283SS..Hα-helixtrans-61.7-43.6171.5-72.70000111.7L95 F96 F97 W102 L103 F125L95-C99 WeakPolarHBondContact O-CB 3.23Å; L95-C99 PolarHBondContact O-N 3.46Å; L95-C99 PolarHBondContact O-SG 2.94Å; F96-C99 WeakPolarHBondContact O-CB 3.5Å; F96-C99 PolarHBondContact O-N 3.09Å; F97-C99 PolarHBondContact O-N 3.44Å; C99-W102 PolarHBondContact O-N 3.46Å; C99-L103 WeakPolarHBondContact O-CB 3.47Å; C99-L103 VanDerWaalsContact O-CG 3.28Å; C99-L103 WeakPolarHBondContact O-CG 3.47Å; C99-L103 PolarHBondContact O-N 3.01Å; C99-F125 HydrophobicContact CB-CE2 4.47Å; C99-F125 VanDerWaalsContact SG-CE2 3.56Å
100V94.5Very high91.8Very high25 Ų2554.3 Ų54.315%0.15227%0.271CS..Hα-helixtrans-62.1-47.9178.2172.30000111.3F96 F97 W102 L103 V104 M156F96-V100 HydrophobicContact CE1-CG2 4.19Å; F96-V100 HydrophobicContact CE2-CG2 4.41Å; F96-V100 HydrophobicContact CZ-CG2 4.11Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.88Å; F97-V100 PolarHBondContact O-N 2.98Å; F97-V100 VanDerWaalsContact O-N 3.17Å; V100-W102 PolarHBondContact O-N 3.24Å; V100-L103 PolarHBondContact O-N 2.81Å; V100-V104 HydrophobicContact CG1-CG2 4.5Å; V100-V104 WeakPolarHBondContact O-CG2 3.43Å; V100-V104 PolarHBondContact O-N 2.8Å; V100-M156 HydrophobicContact CG1-CE 4.24Å; V100-M156 HydrophobicContact CG1-CG 3.97Å; V100-M156 HydrophobicContact CG1-SD 3.89Å
101F93.4Very high90.7Very high3 Ų356.3 Ų56.31%0.01328%0.283CS..Hα-helixtrans-65.2-37.8177.8-70.9-61.3000112.9F97 L103 V104 A105 V119 A128 F131 M156 V157F97-F101 HydrophobicContact CB-CE2 4.28Å; F97-F101 WeakPolarHBondContact O-CD2 3.48Å; F97-F101 PolarHBondContact O-N 2.99Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-V104 PolarHBondContact O-N 3.15Å; F101-A105 WeakPolarHBondContact O-CB 3.35Å; F101-A105 PolarHBondContact O-N 2.88Å; F101-V119 HydrophobicContact CD1-CG2 4.4Å; F101-A128 HydrophobicContact CB-CB 4.47Å; F101-F131 HydrophobicContact CB-CD1 4.5Å; F101-F131 HydrophobicContact CD1-CD1 4.26Å; F101-F131 AromaticContact CD1-CE1 3.93Å; F101-F131 HydrophobicContact CD1-CE1 3.93Å; F101-F131 AromaticContact CD2-CD1 3.84Å; F101-F131 HydrophobicContact CD2-CD1 3.84Å; F101-F131 HydrophobicContact CD2-CE1 4.09Å; F101-F131 HydrophobicContact CE1-CD1 4.47Å; F101-F131 AromaticContact CE1-CE1 3.8Å; F101-F131 HydrophobicContact CE1-CE1 3.8Å; F101-F131 HydrophobicContact CE2-CD1 4.08Å; F101-F131 AromaticContact CE2-CE1 3.97Å; F101-F131 HydrophobicContact CE2-CE1 3.97Å; F101-F131 AromaticContact CG-CD1 3.95Å; F101-F131 HydrophobicContact CG-CD1 3.95Å; F101-F131 HydrophobicContact CG-CE1 4.09Å; F101-F131 HydrophobicContact CZ-CD1 4.39Å; F101-F131 AromaticContact CZ-CE1 3.83Å; F101-F131 HydrophobicContact CZ-CE1 3.83Å; F101-M156 HydrophobicContact CE1-CB 3.9Å; F101-M156 HydrophobicContact CZ-CB 4.14Å; F101-V157 HydrophobicContact CE1-CG2 4.01Å; F101-V157 HydrophobicContact CZ-CG2 3.86Å
102W92.8Very high89.4Confident81 Ų8160.9 Ų60.931%0.30730%0.302SS..Hα-helixtrans-61.9-42.5172.5165.9-69.9000111.4G98 C99 V100 A105 I106 S124 F125 A128G98-W102 WeakPolarHBondContact O-CB 3.42Å; G98-W102 PolarHBondContact O-N 2.81Å; C99-W102 PolarHBondContact O-N 3.46Å; V100-W102 PolarHBondContact O-N 3.24Å; W102-A105 PolarHBondContact O-N 2.79Å; W102-I106 HydrophobicContact CD2-CD1 4.4Å; W102-I106 HydrophobicContact CG-CD1 4.4Å; W102-I106 HydrophobicContact CZ2-CD1 4.36Å; W102-I106 WeakPolarHBondContact O-CG1 3.48Å; W102-I106 PolarHBondContact O-N 2.88Å; W102-S124 VanDerWaalsContact CE3-C 3.41Å; W102-F125 HydrophobicContact CB-CD2 4.18Å; W102-F125 HydrophobicContact CD2-CB 3.98Å; W102-F125 AromaticContact CD2-CD2 3.82Å; W102-F125 HydrophobicContact CD2-CD2 3.82Å; W102-F125 HydrophobicContact CD2-CG 4.4Å; W102-F125 HydrophobicContact CE3-CB 3.37Å; W102-F125 HydrophobicContact CE3-CD2 4Å; W102-F125 HydrophobicContact CE3-CG 4.2Å; W102-F125 HydrophobicContact CG-CD2 4.04Å; W102-F125 HydrophobicContact CH2-CB 3.62Å; W102-F125 HydrophobicContact CZ2-CB 4.24Å; W102-F125 HydrophobicContact CZ3-CB 3.25Å; W102-F125 HydrophobicContact CZ3-CG 4.43Å; W102-A128 HydrophobicContact CB-CB 3.79Å
103L91.8Very high87.9Confident84 Ų8461.2 Ų61.244%0.4431%0.305SS..Hα-helixtrans-64.9-42.7176.8-73.4174.1000111.5C99 V100 F101 A105 I106 F107C99-L103 WeakPolarHBondContact O-CB 3.47Å; C99-L103 VanDerWaalsContact O-CG 3.28Å; C99-L103 WeakPolarHBondContact O-CG 3.47Å; C99-L103 PolarHBondContact O-N 3.01Å; V100-L103 PolarHBondContact O-N 2.81Å; F101-L103 VanDerWaalsContact C-N 3.34Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 2.83Å; L103-I106 PolarHBondContact O-N 2.93Å; L103-F107 HydrophobicContact CB-CD2 4.29Å; L103-F107 HydrophobicContact CB-CE2 4.24Å; L103-F107 HydrophobicContact CD2-CE2 4.3Å; L103-F107 WeakPolarHBondContact O-CB 3.45Å; L103-F107 WeakPolarHBondContact O-CD2 3.31Å; L103-F107 PolarHBondContact O-N 3.12Å
104V89.9Confident86.4Confident25 Ų2567.4 Ų67.415%0.15234%0.337CS..Hα-helixtrans-58.8-45.9174.8171.40000110.7V100 F101 I106 F107 H108 C118 V152 A153V100-V104 HydrophobicContact CG1-CG2 4.5Å; V100-V104 WeakPolarHBondContact O-CG2 3.43Å; V100-V104 PolarHBondContact O-N 2.8Å; F101-V104 PolarHBondContact O-N 3.15Å; V104-I106 PolarHBondContact O-N 3.08Å; V104-F107 PolarHBondContact O-N 2.86Å; V104-H108 WeakPolarHBondContact O-CB 3.21Å; V104-H108 PolarHBondContact O-N 3.15Å; V104-C118 HydrophobicContact CG1-CB 4.3Å; V104-V152 HydrophobicContact CG2-CG1 4.39Å; V104-A153 HydrophobicContact CG1-CB 4.41Å
105A88.1Confident84.8Confident3 Ų368.9 Ų68.93%0.02536%0.359CS..Hα-helixtrans-61.8-40.7177.600000112.5F101 W102 L103 G109 D110 L111 V122F101-A105 WeakPolarHBondContact O-CB 3.35Å; F101-A105 PolarHBondContact O-N 2.88Å; W102-A105 PolarHBondContact O-N 2.79Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 2.83Å; A105-G109 PolarHBondContact O-N 3.22Å; A105-G109 VanDerWaalsContact O-N 3.14Å; A105-D110 HydrophobicContact CB-CB 4.15Å; A105-D110 PolarHBondContact O-N 2.86Å; A105-L111 HydrophobicContact CB-CD1 4.2Å; A105-V122 HydrophobicContact CB-CG1 4.48Å
106I87.9Confident83.6Confident80 Ų8071.4 Ų71.441%0.4137%0.369SS..Hα-helixtrans-67.4-47.9176.4-72.2-179.9000111.6W102 L103 V104 H108 G109W102-I106 HydrophobicContact CD2-CD1 4.4Å; W102-I106 HydrophobicContact CG-CD1 4.4Å; W102-I106 HydrophobicContact CZ2-CD1 4.36Å; W102-I106 WeakPolarHBondContact O-CG1 3.48Å; W102-I106 PolarHBondContact O-N 2.88Å; L103-I106 PolarHBondContact O-N 2.93Å; V104-I106 PolarHBondContact O-N 3.08Å; I106-H108 VanDerWaalsContact C-N 3.28Å; I106-H108 PolarHBondContact O-N 3.48Å; I106-G109 PolarHBondContact O-N 3.28Å
107F86.6Confident82.9Confident177 Ų17768.1 Ų68.178%0.77636%0.355SS*.Hα-helixtrans-67.1-30.3-177.5-77.4-58.9000112.8L103 V104L103-F107 HydrophobicContact CB-CD2 4.29Å; L103-F107 HydrophobicContact CB-CE2 4.24Å; L103-F107 HydrophobicContact CD2-CE2 4.3Å; L103-F107 WeakPolarHBondContact O-CB 3.45Å; L103-F107 WeakPolarHBondContact O-CD2 3.31Å; L103-F107 PolarHBondContact O-N 3.12Å; V104-F107 PolarHBondContact O-N 2.86Å
108H84Confident82.4Confident93 Ų9368 Ų6843%0.43136%0.355SS..Hα-helixtrans-78.8-23174.9-165-104.1000113V104 I106 D110 Q116 C118V104-H108 WeakPolarHBondContact O-CB 3.21Å; V104-H108 PolarHBondContact O-N 3.15Å; I106-H108 VanDerWaalsContact C-N 3.28Å; I106-H108 PolarHBondContact O-N 3.48Å; H108-D110 IonicContact CE1-OD1 3.7Å; H108-D110 IonicContact CG-OD1 3.48Å; H108-D110 IonicContact ND1-OD1 3.84Å; H108-D110 PolarHBondContact ND1-OD1 2.93Å; H108-Q116 PolarHBondContact CE1-O 3.05Å; H108-Q116 VanDerWaalsContact CE1-O 3.26Å; H108-C118 VanDerWaalsContact CB-SG 3.58Å; H108-C118 VanDerWaalsContact CD2-SG 3.54Å
109G81.6Confident81.8Confident21 Ų2168.3 Ų68.322%0.21636%0.356CS..THydrogen-bonded Turntrans86.920-176.500000114.1A105 I106 L111 E112 N113A105-G109 PolarHBondContact O-N 3.22Å; A105-G109 VanDerWaalsContact O-N 3.14Å; I106-G109 PolarHBondContact O-N 3.28Å; G109-L111 PolarHBondContact O-N 3.06Å; G109-L111 VanDerWaalsContact O-N 3.08Å; G109-E112 PolarHBondContact O-N 3.17Å; G109-E112 VanDerWaalsContact O-N 3.09Å; G109-N113 PolarHBondContact O-N 3.17Å; G109-N113 VanDerWaalsContact O-N 3.15Å
110D76.1Confident81.4Confident11 Ų1166.6 Ų66.66%0.05935%0.345CS..THydrogen-bonded Turntrans-61.2-18.5-178.1-73.6-5.9000113.5A105 H108 K117 C118A105-D110 HydrophobicContact CB-CB 4.15Å; A105-D110 PolarHBondContact O-N 2.86Å; H108-D110 IonicContact CE1-OD1 3.7Å; H108-D110 IonicContact CG-OD1 3.48Å; H108-D110 IonicContact ND1-OD1 3.84Å; H108-D110 PolarHBondContact ND1-OD1 2.93Å; D110-K117 HydrophobicContact CB-CB 4.47Å; D110-K117 HydrophobicContact CB-CG 4.33Å; D110-K117 WeakPolarHBondContact OD1-CA 3.38Å; D110-C118 PolarHBondContact OD1-N 3.13Å; D110-C118 WeakPolarHBondContact OD2-CB 3.42Å; D110-C118 PolarHBondContact OD2-N 3.01Å
111L71.3Confident81Confident88 Ų8868.2 Ų68.246%0.46135%0.352SS..THydrogen-bonded Turntrans-79.2-25.3178.2-95.172.3000113.4A105 G109A105-L111 HydrophobicContact CB-CD1 4.2Å; G109-L111 PolarHBondContact O-N 3.06Å; G109-L111 VanDerWaalsContact O-N 3.08Å
112E69.3Low80.7Confident178 Ų17868.6 Ų68.683%0.83236%0.355SS*.THydrogen-bonded Turntrans-109.8-32-172.8-65.6-177174.900112.3G109G109-E112 PolarHBondContact O-N 3.17Å; G109-E112 VanDerWaalsContact O-N 3.09Å
113N65.5Low80.3Confident107 Ų10769.2 Ų69.257%0.57237%0.372SS*.  trans-106130.7-178.1-73.1-34.1000111.9G109 A115 K117G109-N113 PolarHBondContact O-N 3.17Å; G109-N113 VanDerWaalsContact O-N 3.15Å; N113-A115 VanDerWaalsContact C-N 3.3Å; N113-K117 WeakPolarHBondContact O-CE 3.22Å
114D65Low80.3Confident143 Ų14367.6 Ų67.677%0.76537%0.367SS*.  trans-86.1-5.3176.8-143.124.3000112.8K117D114-K117 WeakPolarHBondContact OD1-CE 3.37Å; D114-K117 IonicContact OD1-NZ 3.37Å; D114-K117 PolarHBondContact OD1-NZ 3.42Å
115A63.3Low80.4Confident80 Ų8069.7 Ų69.766%0.66138%0.375SS*.SBendtrans-92.7121.8178.100000110.7N113N113-A115 VanDerWaalsContact C-N 3.3Å
116Q70.3Confident80.6Confident123 Ų12373.8 Ų73.858%0.57540%0.399SS*.SBendtrans5283.9173.5-67-179.3-5200114.6H108 E149H108-Q116 PolarHBondContact CE1-O 3.05Å; H108-Q116 VanDerWaalsContact CE1-O 3.26Å; Q116-E149 HydrophobicContact CB-CG 4Å; Q116-E149 HydrophobicContact CG-CG 4.33Å; Q116-E149 WeakPolarHBondContact CG-OE1 3.48Å; Q116-E149 VanDerWaalsContact NE2-CD 3.26Å; Q116-E149 PolarHBondContact NE2-OE1 3.5Å; Q116-E149 PolarHBondContact NE2-OE2 3.16Å
117K82.6Confident80.8Confident51 Ų5170.2 Ų70.222%0.22238%0.382CS..  trans-89.1143.2177.7-63.8176.1-176.3164.90111.3D110 N113 D114 T147D110-K117 HydrophobicContact CB-CB 4.47Å; D110-K117 HydrophobicContact CB-CG 4.33Å; D110-K117 WeakPolarHBondContact OD1-CA 3.38Å; N113-K117 WeakPolarHBondContact O-CE 3.22Å; D114-K117 WeakPolarHBondContact OD1-CE 3.37Å; D114-K117 IonicContact OD1-NZ 3.37Å; D114-K117 PolarHBondContact OD1-NZ 3.42Å; K117-T147 WeakPolarHBondContact O-CB 3.2Å; K117-T147 VanDerWaalsContact O-CG2 3.25Å; K117-T147 WeakPolarHBondContact O-CG2 3.36Å; K117-T147 PolarHBondContact O-OG1 2.92Å
118C84.4Confident81.2Confident2 Ų261.8 Ų61.81%0.01435%0.345CS..SBendtrans-66.6-42.5172.8-62.90000112.3V104 H108 D110 T147 C150 A153V104-C118 HydrophobicContact CG1-CB 4.3Å; H108-C118 VanDerWaalsContact CB-SG 3.58Å; H108-C118 VanDerWaalsContact CD2-SG 3.54Å; D110-C118 PolarHBondContact OD1-N 3.13Å; D110-C118 WeakPolarHBondContact OD2-CB 3.42Å; D110-C118 PolarHBondContact OD2-N 3.01Å; C118-T147 PolarHBondContact O-N 3.14Å; C118-T147 PolarHBondContact O-OG1 2.9Å; C118-C150 WeakPolarHBondContact CA-SG 3.36Å; C118-C150 HydrophobicContact CB-CB 3.53Å; C118-C150 WeakPolarHBondContact CB-SG 3.31Å; C118-C150 WeakPolarHBondContact SG-CB 3.39Å; C118-C150 CovalentContact SG-SG 2.01Å; C118-C150 PolarHBondContact SG-SG 3.32Å; C118-A153 HydrophobicContact CB-CB 4.28Å
119V84.8Confident81.7Confident5 Ų559.4 Ų59.43%0.0333%0.333CS..BIsolated β-bridgetrans-132.5118175.6-172.10000108.6F101 V122 F131 A153F101-V119 HydrophobicContact CD1-CG2 4.4Å; V119-V122 HydrophobicContact CB-CG2 3.95Å; V119-V122 HydrophobicContact CG1-CG2 3.51Å; V119-F131 HydrophobicContact CG1-CD1 3.94Å; V119-F131 HydrophobicContact CG1-CD2 4.14Å; V119-F131 HydrophobicContact CG1-CE1 3.8Å; V119-F131 HydrophobicContact CG1-CE2 4Å; V119-F131 HydrophobicContact CG1-CG 4.1Å; V119-F131 HydrophobicContact CG1-CZ 3.83Å; V119-F131 HydrophobicContact CG2-CE1 4.18Å; V119-A153 HydrophobicContact CG2-CB 4.4Å
120S86.3Confident82.4Confident19 Ų1961.6 Ų61.613%0.13334%0.34CS..THydrogen-bonded Turntrans-69.3143.6-176.9-1650000111.3V122 Y145S120-V122 VanDerWaalsContact C-N 3.34Å; S120-V122 PolarHBondContact O-N 3.13Å; S120-Y145 PolarHBondContact N-O 2.99Å
121N86.2Confident83.3Confident58 Ų5861.4 Ų61.431%0.3134%0.339SS..THydrogen-bonded Turntrans61.730.2176.3-61.7-31.1000116Y143 R144N121-Y143 HydrophobicContact CB-CD1 4.24Å; N121-Y143 HydrophobicContact CB-CE1 3.8Å; N121-Y143 PolarHBondContact ND2-O 3.5Å; N121-R144 HydrophobicContact CB-CG 4.2Å
122V87.4Confident84.5Confident11 Ų1157.2 Ų57.27%0.06732%0.317CS..  trans-102.284.6170.4-179.10000110.3A105 V119 S120 A128A105-V122 HydrophobicContact CB-CG1 4.48Å; V119-V122 HydrophobicContact CB-CG2 3.95Å; V119-V122 HydrophobicContact CG1-CG2 3.51Å; S120-V122 VanDerWaalsContact C-N 3.34Å; S120-V122 PolarHBondContact O-N 3.13Å; V122-A128 HydrophobicContact CG1-CB 3.65Å
123S84.9Confident85.8Confident95 Ų9550.3 Ų50.366%0.66429%0.285SS*.  trans-99.1-13.2-179.757.60000114.5
124S90.4Very high87.2Confident49 Ų4945.5 Ų45.534%0.34326%0.259SS..SBendtrans-146.9171.7-175.873.60000112.4W102 T126 A127 A128W102-S124 VanDerWaalsContact CE3-C 3.41Å; S124-T126 VanDerWaalsContact C-N 3.3Å; S124-T126 PolarHBondContact O-N 2.96Å; S124-A127 WeakPolarHBondContact O-CA 3.42Å; S124-A127 WeakPolarHBondContact O-CB 3.17Å; S124-A127 PolarHBondContact O-N 2.91Å; S124-A127 PolarHBondContact OG-N 3Å; S124-A128 PolarHBondContact O-N 2.8Å
125F91.8Very high88.6Confident70 Ų7039.8 Ų39.831%0.30723%0.229SC..Hα-helixtrans-72.4-39.8-172.8176.6-105000108.5L95 C99 W102 A127 A128 F129L95-F125 HydrophobicContact CD2-CE1 4.35Å; L95-F125 HydrophobicContact CD2-CZ 4.27Å; C99-F125 HydrophobicContact CB-CE2 4.47Å; C99-F125 VanDerWaalsContact SG-CE2 3.56Å; W102-F125 HydrophobicContact CB-CD2 4.18Å; W102-F125 HydrophobicContact CD2-CB 3.98Å; W102-F125 AromaticContact CD2-CD2 3.82Å; W102-F125 HydrophobicContact CD2-CD2 3.82Å; W102-F125 HydrophobicContact CD2-CG 4.4Å; W102-F125 HydrophobicContact CE3-CB 3.37Å; W102-F125 HydrophobicContact CE3-CD2 4Å; W102-F125 HydrophobicContact CE3-CG 4.2Å; W102-F125 HydrophobicContact CG-CD2 4.04Å; W102-F125 HydrophobicContact CH2-CB 3.62Å; W102-F125 HydrophobicContact CZ2-CB 4.24Å; W102-F125 HydrophobicContact CZ3-CB 3.25Å; W102-F125 HydrophobicContact CZ3-CG 4.43Å; F125-A127 PolarHBondContact O-N 2.87Å; F125-A128 PolarHBondContact O-N 2.79Å; F125-F129 VanDerWaalsContact O-CB 3.24Å; F125-F129 WeakPolarHBondContact O-CB 3.46Å; F125-F129 PolarHBondContact O-N 3.3Å
126T93.9Very high90.2Very high88 Ų8836.5 Ų36.554%0.5420%0.2SC..Hα-helixtrans-56.1-40.7169-45.60000111.2S124 F129 L130S124-T126 VanDerWaalsContact C-N 3.3Å; S124-T126 PolarHBondContact O-N 2.96Å; T126-F129 PolarHBondContact O-N 3.13Å; T126-L130 HydrophobicContact CG2-CD1 4.25Å; T126-L130 WeakPolarHBondContact O-CB 3.49Å; T126-L130 WeakPolarHBondContact O-CG 3.46Å; T126-L130 PolarHBondContact O-N 3.31Å
127A92.2Very high91.4Very high5 Ų532.9 Ų32.94%0.04119%0.187CC..Hα-helixtrans-66.8-42.1176.600000112.6S124 F125 L130 F131S124-A127 WeakPolarHBondContact O-CA 3.42Å; S124-A127 WeakPolarHBondContact O-CB 3.17Å; S124-A127 PolarHBondContact O-N 2.91Å; S124-A127 PolarHBondContact OG-N 3Å; F125-A127 PolarHBondContact O-N 2.87Å; A127-L130 PolarHBondContact O-N 2.94Å; A127-F131 WeakPolarHBondContact O-CB 3.33Å; A127-F131 PolarHBondContact O-N 3.44Å
128A93.7Very high92Very high0 Ų036.4 Ų36.40%021%0.213CC..Hα-helixtrans-66.1-39.5175.400000112.2G98 F101 W102 V122 S124 F125 F131 S132G98-A128 WeakPolarHBondContact O-CB 3.13Å; F101-A128 HydrophobicContact CB-CB 4.47Å; W102-A128 HydrophobicContact CB-CB 3.79Å; V122-A128 HydrophobicContact CG1-CB 3.65Å; S124-A128 PolarHBondContact O-N 2.8Å; F125-A128 PolarHBondContact O-N 2.79Å; A128-F131 PolarHBondContact O-N 3.19Å; A128-S132 WeakPolarHBondContact O-CB 3.3Å; A128-S132 PolarHBondContact O-N 2.78Å
129F95.4Very high92.5Very high43 Ų4340.3 Ų40.319%0.18923%0.233CC..Hα-helixtrans-65-43.4174.9177.4-111.2000111.9W94 L95 F125 T126 S132 I133W94-F129 HydrophobicContact CB-CD2 4.37Å; W94-F129 HydrophobicContact CB-CE2 3.67Å; W94-F129 HydrophobicContact CB-CZ 4.39Å; L95-F129 HydrophobicContact CD2-CD2 3.87Å; L95-F129 HydrophobicContact CD2-CE2 3.69Å; L95-F129 HydrophobicContact CD2-CZ 4.44Å; L95-F129 HydrophobicContact CG-CD2 4.4Å; L95-F129 HydrophobicContact CG-CE2 3.88Å; F125-F129 VanDerWaalsContact O-CB 3.24Å; F125-F129 WeakPolarHBondContact O-CB 3.46Å; F125-F129 PolarHBondContact O-N 3.3Å; T126-F129 PolarHBondContact O-N 3.13Å; F129-S132 WeakPolarHBondContact O-CB 3.45Å; F129-S132 PolarHBondContact O-N 2.81Å; F129-I133 HydrophobicContact CD1-CD1 3.86Å; F129-I133 HydrophobicContact CE1-CD1 3.38Å; F129-I133 HydrophobicContact CE1-CG1 4.42Å; F129-I133 HydrophobicContact CE2-CD1 4.18Å; F129-I133 HydrophobicContact CE2-CG1 4.44Å; F129-I133 HydrophobicContact CG-CD1 4.46Å; F129-I133 HydrophobicContact CZ-CD1 3.56Å; F129-I133 HydrophobicContact CZ-CG1 4.27Å; F129-I133 WeakPolarHBondContact O-CG1 3.32Å; F129-I133 PolarHBondContact O-N 3.19Å
130L95.4Very high92.8Very high67 Ų6742.5 Ų42.535%0.35126%0.256SS..Hα-helixtrans-62.3-43.5173.7-72.9170.8000111.2T126 A127 S132 I133 E134T126-L130 HydrophobicContact CG2-CD1 4.25Å; T126-L130 WeakPolarHBondContact O-CB 3.49Å; T126-L130 WeakPolarHBondContact O-CG 3.46Å; T126-L130 PolarHBondContact O-N 3.31Å; A127-L130 PolarHBondContact O-N 2.94Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3.32Å; L130-I133 PolarHBondContact O-N 3.35Å; L130-E134 WeakPolarHBondContact O-CB 3.49Å; L130-E134 VanDerWaalsContact O-CG 3.22Å; L130-E134 WeakPolarHBondContact O-CG 3.41Å; L130-E134 PolarHBondContact O-N 3Å
131F95.1Very high93Very high8 Ų849.7 Ų49.74%0.03528%0.282CS..Hα-helixtrans-59.9-42174.5178.4-111.2000112.5F101 V119 A127 A128 I133 E134 T135 R144 V146 V157F101-F131 HydrophobicContact CB-CD1 4.5Å; F101-F131 HydrophobicContact CD1-CD1 4.26Å; F101-F131 AromaticContact CD1-CE1 3.93Å; F101-F131 HydrophobicContact CD1-CE1 3.93Å; F101-F131 AromaticContact CD2-CD1 3.84Å; F101-F131 HydrophobicContact CD2-CD1 3.84Å; F101-F131 HydrophobicContact CD2-CE1 4.09Å; F101-F131 HydrophobicContact CE1-CD1 4.47Å; F101-F131 AromaticContact CE1-CE1 3.8Å; F101-F131 HydrophobicContact CE1-CE1 3.8Å; F101-F131 HydrophobicContact CE2-CD1 4.08Å; F101-F131 AromaticContact CE2-CE1 3.97Å; F101-F131 HydrophobicContact CE2-CE1 3.97Å; F101-F131 AromaticContact CG-CD1 3.95Å; F101-F131 HydrophobicContact CG-CD1 3.95Å; F101-F131 HydrophobicContact CG-CE1 4.09Å; F101-F131 HydrophobicContact CZ-CD1 4.39Å; F101-F131 AromaticContact CZ-CE1 3.83Å; F101-F131 HydrophobicContact CZ-CE1 3.83Å; V119-F131 HydrophobicContact CG1-CD1 3.94Å; V119-F131 HydrophobicContact CG1-CD2 4.14Å; V119-F131 HydrophobicContact CG1-CE1 3.8Å; V119-F131 HydrophobicContact CG1-CE2 4Å; V119-F131 HydrophobicContact CG1-CG 4.1Å; V119-F131 HydrophobicContact CG1-CZ 3.83Å; V119-F131 HydrophobicContact CG2-CE1 4.18Å; A127-F131 WeakPolarHBondContact O-CB 3.33Å; A127-F131 PolarHBondContact O-N 3.44Å; A128-F131 PolarHBondContact O-N 3.19Å; F131-I133 PolarHBondContact O-N 2.74Å; F131-E134 PolarHBondContact O-N 3.33Å; F131-T135 WeakPolarHBondContact O-CB 3.39Å; F131-T135 PolarHBondContact O-N 3.5Å; F131-T135 PolarHBondContact O-OG1 2.8Å; F131-R144 HydrophobicContact CB-CB 4.36Å; F131-R144 HydrophobicContact CD2-CB 3.66Å; F131-R144 HydrophobicContact CE2-CB 4.44Å; F131-R144 HydrophobicContact CG-CB 4.38Å; F131-V146 HydrophobicContact CZ-CB 4.43Å; F131-V157 HydrophobicContact CE1-CG2 4.43Å; F131-V157 HydrophobicContact CZ-CG2 4.27Å
132S96.4Very high93.2Very high0 Ų049.3 Ų49.30%029%0.291CS..Hα-helixtrans-59.7-44.6174.3172.40000112.1W94 F97 G98 A128 F129 L130 T135 Q136 Q160W94-S132 PolarHBondContact O-OG 2.94Å; F97-S132 VanDerWaalsContact CB-OG 3.29Å; F97-S132 WeakPolarHBondContact CB-OG 3.29Å; G98-S132 PolarHBondContact N-OG 3.16Å; A128-S132 WeakPolarHBondContact O-CB 3.3Å; A128-S132 PolarHBondContact O-N 2.78Å; F129-S132 WeakPolarHBondContact O-CB 3.45Å; F129-S132 PolarHBondContact O-N 2.81Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3.32Å; S132-T135 PolarHBondContact O-N 3.06Å; S132-Q136 WeakPolarHBondContact O-CB 3.49Å; S132-Q136 PolarHBondContact O-N 3.08Å; S132-Q160 PolarHBondContact O-NE2 3.34Å; S132-Q160 PolarHBondContact OG-NE2 2.81Å; S132-Q160 VanDerWaalsContact OG-NE2 3.14Å
133I96.4Very high93.3Very high32 Ų3255.6 Ų55.616%0.16431%0.314CS..Hα-helixtrans-62.2-51.5174.7-67.6166000110.3W94 F129 L130 F131 T135 Q136 T137W94-I133 HydrophobicContact CB-CG1 4.01Å; W94-I133 HydrophobicContact CD2-CG1 3.77Å; W94-I133 HydrophobicContact CE3-CD1 4.21Å; W94-I133 HydrophobicContact CE3-CG1 3.92Å; W94-I133 HydrophobicContact CG-CG1 3.81Å; F129-I133 HydrophobicContact CD1-CD1 3.86Å; F129-I133 HydrophobicContact CE1-CD1 3.38Å; F129-I133 HydrophobicContact CE1-CG1 4.42Å; F129-I133 HydrophobicContact CE2-CD1 4.18Å; F129-I133 HydrophobicContact CE2-CG1 4.44Å; F129-I133 HydrophobicContact CG-CD1 4.46Å; F129-I133 HydrophobicContact CZ-CD1 3.56Å; F129-I133 HydrophobicContact CZ-CG1 4.27Å; F129-I133 WeakPolarHBondContact O-CG1 3.32Å; F129-I133 PolarHBondContact O-N 3.19Å; L130-I133 PolarHBondContact O-N 3.35Å; F131-I133 PolarHBondContact O-N 2.74Å; I133-T135 PolarHBondContact O-N 3.36Å; I133-Q136 PolarHBondContact O-N 3.1Å; I133-T137 HydrophobicContact CG2-CG2 4.12Å; I133-T137 WeakPolarHBondContact O-CB 3.48Å; I133-T137 WeakPolarHBondContact O-CG2 3.49Å; I133-T137 PolarHBondContact O-N 2.76Å; I133-T137 PolarHBondContact O-OG1 3.09Å
134E95.5Very high93.6Very high7 Ų753.2 Ų53.23%0.03329%0.291CS..Hα-helixtrans-55.8-38.7-178.2-72.3170.2-143.500111.8L130 F131 T138 I139 G140 Y141 R144L130-E134 WeakPolarHBondContact O-CB 3.49Å; L130-E134 VanDerWaalsContact O-CG 3.22Å; L130-E134 WeakPolarHBondContact O-CG 3.41Å; L130-E134 PolarHBondContact O-N 3Å; F131-E134 PolarHBondContact O-N 3.33Å; E134-T138 PolarHBondContact O-N 3.41Å; E134-I139 PolarHBondContact O-N 2.89Å; E134-I139 VanDerWaalsContact O-N 3.12Å; E134-G140 PolarHBondContact O-N 2.79Å; E134-Y141 HydrophobicContact CG-CD2 3.63Å; E134-Y141 HydrophobicContact CG-CE2 4.03Å; E134-R144 IonicContact OE1-CZ 2.65Å; E134-R144 IonicContact OE1-NH1 3.75Å; E134-R144 PolarHBondContact OE1-NH1 3.3Å
135T94.8Very high93.6Very high23 Ų2356.9 Ų56.914%0.14130%0.298CS..Hα-helixtrans-73.4-52.3179.4-56.10000111.5F131 S132 I133 T138 V157 Q160F131-T135 WeakPolarHBondContact O-CB 3.39Å; F131-T135 PolarHBondContact O-N 3.5Å; F131-T135 PolarHBondContact O-OG1 2.8Å; S132-T135 PolarHBondContact O-N 3.06Å; I133-T135 PolarHBondContact O-N 3.36Å; T135-T138 PolarHBondContact O-N 3.11Å; T135-V157 HydrophobicContact CG2-CG1 3.91Å; T135-V157 HydrophobicContact CG2-CG2 4.43Å; T135-Q160 VanDerWaalsContact CG2-OE1 3.29Å
136Q95.9Very high93.6Very high11 Ų1155.9 Ų55.95%0.05130%0.298CS..Hα-helixtrans-70.8-35.9-175.6-164173-46.100113.2S93 S132 I133 T138 Q160S93-Q136 PolarHBondContact OG-NE2 3.4Å; S132-Q136 WeakPolarHBondContact O-CB 3.49Å; S132-Q136 PolarHBondContact O-N 3.08Å; I133-Q136 PolarHBondContact O-N 3.1Å; Q136-T138 VanDerWaalsContact C-N 3.27Å; Q136-Q160 HydrophobicContact CB-CG 4.12Å; Q136-Q160 HydrophobicContact CG-CG 4.31Å
137T95Very high93.4Very high47 Ų4753.1 Ų53.129%0.28828%0.281SS..THydrogen-bonded Turntrans-84.8-2.7177.761.30000112.8W94 I133 I139W94-T137 HydrophobicContact CZ2-CG2 3.71Å; I133-T137 HydrophobicContact CG2-CG2 4.12Å; I133-T137 WeakPolarHBondContact O-CB 3.48Å; I133-T137 WeakPolarHBondContact O-CG2 3.49Å; I133-T137 PolarHBondContact O-N 2.76Å; I133-T137 PolarHBondContact O-OG1 3.09Å; T137-I139 PolarHBondContact O-N 3.19Å; T137-I139 VanDerWaalsContact O-N 3.17Å; T137-I139 VanDerWaalsContact OG1-CD1 3.28Å; T137-I139 WeakPolarHBondContact OG1-CD1 3.23Å; T137-I139 VanDerWaalsContact OG1-CG1 3.31Å; T137-I139 WeakPolarHBondContact OG1-CG1 3.34Å
138T95.1Very high93.1Very high125 Ų12559.7 Ų59.777%0.76732%0.315SS*.THydrogen-bonded Turntrans5922.2-179.370.20000114.4E134 T135 Q136E134-T138 PolarHBondContact O-N 3.41Å; T135-T138 PolarHBondContact O-N 3.11Å; Q136-T138 VanDerWaalsContact C-N 3.27Å
139I96.1Very high92.8Very high84 Ų8463.4 Ų63.443%0.43133%0.333SS..  trans-67.6-45.8174.4-65.3169.6000110.1E134 T137 Y141E134-I139 PolarHBondContact O-N 2.89Å; E134-I139 VanDerWaalsContact O-N 3.12Å; T137-I139 PolarHBondContact O-N 3.19Å; T137-I139 VanDerWaalsContact O-N 3.17Å; T137-I139 VanDerWaalsContact OG1-CD1 3.28Å; T137-I139 WeakPolarHBondContact OG1-CD1 3.23Å; T137-I139 VanDerWaalsContact OG1-CG1 3.31Å; T137-I139 WeakPolarHBondContact OG1-CG1 3.34Å; I139-Y141 HydrophobicContact CG2-CD1 3.77Å; I139-Y141 HydrophobicContact CG2-CD2 4.12Å; I139-Y141 HydrophobicContact CG2-CE1 3.4Å; I139-Y141 HydrophobicContact CG2-CE2 3.76Å; I139-Y141 HydrophobicContact CG2-CG 4.11Å; I139-Y141 PolarHBondContact O-N 3.29Å
140G90.9Very high92.4Very high51 Ų5161.9 Ų61.953%0.52633%0.327SS..  trans48.861.1172.400000115.1E134 G142E134-G140 PolarHBondContact O-N 2.79Å; G140-G142 PolarHBondContact O-N 3.04Å
141Y91.5Very high92.1Very high170 Ų17063.5 Ų63.567%0.66734%0.341SS*.  trans-57.6-21.4-179.1-64.7-60.2000113.9E134 I139 Y143E134-Y141 HydrophobicContact CG-CD2 3.63Å; E134-Y141 HydrophobicContact CG-CE2 4.03Å; I139-Y141 HydrophobicContact CG2-CD1 3.77Å; I139-Y141 HydrophobicContact CG2-CD2 4.12Å; I139-Y141 HydrophobicContact CG2-CE1 3.4Å; I139-Y141 HydrophobicContact CG2-CE2 3.76Å; I139-Y141 HydrophobicContact CG2-CG 4.11Å; I139-Y141 PolarHBondContact O-N 3.29Å; Y141-Y143 VanDerWaalsContact C-N 3.27Å; Y141-Y143 PolarHBondContact O-N 2.69Å
142G88.4Confident92Very high49 Ų4967.2 Ų67.251%0.50537%0.365SS..SBendtrans83.3-6.8175.800000114.7G140 R144G140-G142 PolarHBondContact O-N 3.04Å; G142-R144 VanDerWaalsContact C-N 3.28Å
143Y90.7Very high91.7Very high143 Ų14367.2 Ų67.256%0.56137%0.365SS*.SBendtrans-66.8-32.4171.3-177.4-102.4000112.1N121 Y141N121-Y143 HydrophobicContact CB-CD1 4.24Å; N121-Y143 HydrophobicContact CB-CE1 3.8Å; N121-Y143 PolarHBondContact ND2-O 3.5Å; Y141-Y143 VanDerWaalsContact C-N 3.27Å; Y141-Y143 PolarHBondContact O-N 2.69Å
144R91Very high91.5Very high46 Ų4668.7 Ų68.717%0.17438%0.375CS..SBendtrans-114.5127.4172.6-61.9173.2-171.485.28.4107.8N121 F131 E134 G142N121-R144 HydrophobicContact CB-CG 4.2Å; F131-R144 HydrophobicContact CB-CB 4.36Å; F131-R144 HydrophobicContact CD2-CB 3.66Å; F131-R144 HydrophobicContact CE2-CB 4.44Å; F131-R144 HydrophobicContact CG-CB 4.38Å; E134-R144 IonicContact OE1-CZ 2.65Å; E134-R144 IonicContact OE1-NH1 3.75Å; E134-R144 PolarHBondContact OE1-NH1 3.3Å; G142-R144 VanDerWaalsContact C-N 3.28Å
145Y90.6Very high91.5Very high125 Ų12574.4 Ų74.449%0.4940%0.4SS..  trans-145.3150.8-178.561.2-91.7000110.6S120 T147S120-Y145 PolarHBondContact N-O 2.99Å; Y145-T147 HydrophobicContact CD2-CG2 4.41Å; Y145-T147 HydrophobicContact CE2-CG2 4.09Å
146V92.3Very high91.5Very high50 Ų5075.4 Ų75.430%0.30340%0.404SS..BIsolated β-bridgetrans-80.8141.2175.664.70000110F131 A153 V154 V157F131-V146 HydrophobicContact CZ-CB 4.43Å; V146-A153 HydrophobicContact CG2-CB 3.92Å; V146-V154 HydrophobicContact CG2-CG2 4.13Å; V146-V157 HydrophobicContact CB-CG2 4.38Å; V146-V157 HydrophobicContact CG1-CG2 4.4Å; V146-V157 HydrophobicContact CG2-CG2 4.46Å
147T89.2Confident91.4Very high29 Ų2976.2 Ų76.218%0.17841%0.41CS..  trans-103168.6174.766.20000110.8K117 C118 Y145 E149K117-T147 WeakPolarHBondContact O-CB 3.2Å; K117-T147 VanDerWaalsContact O-CG2 3.25Å; K117-T147 WeakPolarHBondContact O-CG2 3.36Å; K117-T147 PolarHBondContact O-OG1 2.92Å; C118-T147 PolarHBondContact O-N 3.14Å; C118-T147 PolarHBondContact O-OG1 2.9Å; Y145-T147 HydrophobicContact CD2-CG2 4.41Å; Y145-T147 HydrophobicContact CE2-CG2 4.09Å; T147-E149 VanDerWaalsContact C-N 3.29Å
148D86.9Confident91.5Very high143 Ų14377.8 Ų77.877%0.76542%0.419SS*.SBendtrans-81.7-3.6177.356.8-38.4000114.1C150D148-C150 VanDerWaalsContact C-N 3.32Å; D148-C150 PolarHBondContact O-N 2.74Å
149E85.8Confident91.5Very high79 Ų7976 Ų7637%0.36940%0.401SS..SBendtrans-64.7-35.1-179.2-61.4-65.6168.200112.6Q116 T147 P151Q116-E149 HydrophobicContact CB-CG 4Å; Q116-E149 HydrophobicContact CG-CG 4.33Å; Q116-E149 WeakPolarHBondContact CG-OE1 3.48Å; Q116-E149 VanDerWaalsContact NE2-CD 3.26Å; Q116-E149 PolarHBondContact NE2-OE1 3.5Å; Q116-E149 PolarHBondContact NE2-OE2 3.16Å; T147-E149 VanDerWaalsContact C-N 3.29Å; E149-P151 WeakPolarHBondContact O-CD 3.46Å
150C87.6Confident91.6Very high10 Ų1072 Ų727%0.06838%0.38CS..  trans-119.997.9-171.9-56.70000111.9C118 D148 V152 A153 V154C118-C150 WeakPolarHBondContact CA-SG 3.36Å; C118-C150 HydrophobicContact CB-CB 3.53Å; C118-C150 WeakPolarHBondContact CB-SG 3.31Å; C118-C150 WeakPolarHBondContact SG-CB 3.39Å; C118-C150 CovalentContact SG-SG 2.01Å; C118-C150 PolarHBondContact SG-SG 3.32Å; D148-C150 VanDerWaalsContact C-N 3.32Å; D148-C150 PolarHBondContact O-N 2.74Å; C150-V152 PolarHBondContact O-N 3.01Å; C150-V152 VanDerWaalsContact O-N 3.11Å; C150-A153 HydrophobicContact CB-CB 4.02Å; C150-A153 WeakPolarHBondContact O-CB 3.29Å; C150-A153 PolarHBondContact O-N 3.26Å; C150-V154 PolarHBondContact O-N 3.07Å
151P90.1Very high91.8Very high101 Ų10172 Ų7266%0.65637%0.372SS*.Hα-helixtrans-57.3-30.5178.1-26.634.3000113.5E149 V154 F155E149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-V154 PolarHBondContact O-N 2.96Å; P151-F155 WeakPolarHBondContact O-CB 3.46Å; P151-F155 PolarHBondContact O-N 3.44Å
152V90.9Very high92.1Very high87 Ų8768.3 Ų68.353%0.52736%0.363SS..Hα-helixtrans-64.2-40.8176.4179.40000111.3V104 C150 F155 M156V104-V152 HydrophobicContact CG2-CG1 4.39Å; C150-V152 PolarHBondContact O-N 3.01Å; C150-V152 VanDerWaalsContact O-N 3.11Å; V152-F155 PolarHBondContact O-N 2.74Å; V152-M156 VanDerWaalsContact O-CG 3.3Å; V152-M156 WeakPolarHBondContact O-CG 3.28Å; V152-M156 PolarHBondContact O-N 3.21Å
153A90.8Very high92.4Very high0 Ų067.6 Ų67.60%035%0.349CS..Hα-helixtrans-67-42.9178.300000111V104 C118 V119 V146 C150 F155 M156 V157V104-A153 HydrophobicContact CG1-CB 4.41Å; C118-A153 HydrophobicContact CB-CB 4.28Å; V119-A153 HydrophobicContact CG2-CB 4.4Å; V146-A153 HydrophobicContact CG2-CB 3.92Å; C150-A153 HydrophobicContact CB-CB 4.02Å; C150-A153 WeakPolarHBondContact O-CB 3.29Å; C150-A153 PolarHBondContact O-N 3.26Å; A153-F155 PolarHBondContact O-N 2.89Å; A153-M156 PolarHBondContact O-N 3.43Å; A153-V157 WeakPolarHBondContact O-CG2 3.35Å; A153-V157 PolarHBondContact O-N 3.46Å
154V93.3Very high92.7Very high63 Ų6360.9 Ų60.938%0.38232%0.323SS..Hα-helixtrans-59.6-46.8174.61790000111.1V146 C150 P151 M156 V157 V158V146-V154 HydrophobicContact CG2-CG2 4.13Å; C150-V154 PolarHBondContact O-N 3.07Å; P151-V154 PolarHBondContact O-N 2.96Å; V154-M156 VanDerWaalsContact C-N 3.34Å; V154-M156 PolarHBondContact O-N 2.95Å; V154-V157 PolarHBondContact O-N 2.99Å; V154-V158 WeakPolarHBondContact O-CG2 3.48Å; V154-V158 PolarHBondContact O-N 3.31Å; V154-V158 VanDerWaalsContact O-N 3.09Å
155F94.8Very high92.9Very high126 Ų12662.8 Ų62.855%0.55334%0.342SS*.Hα-helixtrans-59.8-42.6175.8175.9-95.4000112.2P151 V152 A153 V157 V158 F159P151-F155 WeakPolarHBondContact O-CB 3.46Å; P151-F155 PolarHBondContact O-N 3.44Å; V152-F155 PolarHBondContact O-N 2.74Å; A153-F155 PolarHBondContact O-N 2.89Å; F155-V157 PolarHBondContact O-N 2.98Å; F155-V158 PolarHBondContact O-N 2.87Å; F155-F159 HydrophobicContact CE1-CB 4.38Å; F155-F159 WeakPolarHBondContact O-CB 3.49Å; F155-F159 PolarHBondContact O-N 2.92Å
156M94.4Very high93.2Very high44 Ų4462 Ų6222%0.21735%0.345CS..Hα-helixtrans-64.6-37.4178.3-72.9-61.8169.800112.6V100 F101 V152 A153 V154 F159 Q160V100-M156 HydrophobicContact CG1-CE 4.24Å; V100-M156 HydrophobicContact CG1-CG 3.97Å; V100-M156 HydrophobicContact CG1-SD 3.89Å; F101-M156 HydrophobicContact CE1-CB 3.9Å; F101-M156 HydrophobicContact CZ-CB 4.14Å; V152-M156 VanDerWaalsContact O-CG 3.3Å; V152-M156 WeakPolarHBondContact O-CG 3.28Å; V152-M156 PolarHBondContact O-N 3.21Å; A153-M156 PolarHBondContact O-N 3.43Å; V154-M156 VanDerWaalsContact C-N 3.34Å; V154-M156 PolarHBondContact O-N 2.95Å; M156-F159 PolarHBondContact O-N 3.29Å; M156-Q160 WeakPolarHBondContact O-CB 3.37Å; M156-Q160 PolarHBondContact O-N 2.85Å
157V95.3Very high93.3Very high29 Ų2961 Ų6118%0.17634%0.338CS..Hα-helixtrans-63-44173.4169.80000111.2F101 F131 T135 V146 A153 V154 F155 Q160 S161F101-V157 HydrophobicContact CE1-CG2 4.01Å; F101-V157 HydrophobicContact CZ-CG2 3.86Å; F131-V157 HydrophobicContact CE1-CG2 4.43Å; F131-V157 HydrophobicContact CZ-CG2 4.27Å; T135-V157 HydrophobicContact CG2-CG1 3.91Å; T135-V157 HydrophobicContact CG2-CG2 4.43Å; V146-V157 HydrophobicContact CB-CG2 4.38Å; V146-V157 HydrophobicContact CG1-CG2 4.4Å; V146-V157 HydrophobicContact CG2-CG2 4.46Å; A153-V157 WeakPolarHBondContact O-CG2 3.35Å; A153-V157 PolarHBondContact O-N 3.46Å; V154-V157 PolarHBondContact O-N 2.99Å; F155-V157 PolarHBondContact O-N 2.98Å; V157-Q160 PolarHBondContact O-N 3.24Å; V157-S161 WeakPolarHBondContact O-CB 3.48Å; V157-S161 PolarHBondContact O-N 2.72Å; V157-S161 PolarHBondContact O-OG 3.23Å
158V95.9Very high93.5Very high79 Ų7962.7 Ų62.748%0.47935%0.346SS..Hα-helixtrans-62.7-48.4176.1173.30000110.8V154 F155 Q160 S161 I162V154-V158 WeakPolarHBondContact O-CG2 3.48Å; V154-V158 PolarHBondContact O-N 3.31Å; V154-V158 VanDerWaalsContact O-N 3.09Å; F155-V158 PolarHBondContact O-N 2.87Å; V158-Q160 PolarHBondContact O-N 3.4Å; V158-S161 WeakPolarHBondContact O-CB 3.21Å; V158-S161 PolarHBondContact O-N 2.97Å; V158-I162 HydrophobicContact CG1-CD1 4.11Å; V158-I162 WeakPolarHBondContact O-CG1 3.31Å; V158-I162 PolarHBondContact O-N 3.26Å; V158-I162 VanDerWaalsContact O-N 3.08Å
159F96Very high93.9Very high89 Ų8958.9 Ų58.939%0.3933%0.334SS..Hα-helixtrans-62.3-43.3179.3-178.4-112.2000111.8F97 F155 M156 S161 I162 V163F97-F159 AromaticContact CE1-CD1 3.76Å; F97-F159 HydrophobicContact CE1-CD1 3.76Å; F97-F159 HydrophobicContact CE1-CE1 4.2Å; F97-F159 AromaticContact CZ-CD1 3.81Å; F97-F159 HydrophobicContact CZ-CD1 3.81Å; F97-F159 AromaticContact CZ-CE1 3.93Å; F97-F159 HydrophobicContact CZ-CE1 3.93Å; F155-F159 HydrophobicContact CE1-CB 4.38Å; F155-F159 WeakPolarHBondContact O-CB 3.49Å; F155-F159 PolarHBondContact O-N 2.92Å; M156-F159 PolarHBondContact O-N 3.29Å; F159-S161 VanDerWaalsContact C-N 3.32Å; F159-S161 PolarHBondContact O-N 3.04Å; F159-I162 PolarHBondContact O-N 2.85Å; F159-V163 HydrophobicContact CD1-CG2 4.41Å; F159-V163 HydrophobicContact CD2-CG2 4.38Å; F159-V163 HydrophobicContact CE1-CG2 3.99Å; F159-V163 HydrophobicContact CE2-CG2 3.96Å; F159-V163 HydrophobicContact CZ-CG2 3.74Å; F159-V163 WeakPolarHBondContact O-CG2 3.38Å; F159-V163 PolarHBondContact O-N 3.15Å
160Q96.9Very high94.2Very high0 Ų059.7 Ų59.70%034%0.337CS..Hα-helixtrans-60.3-41.9175.1-177.3176.224.900112.1F97 S132 T135 Q136 M156 V157 V158 V163 G164F97-Q160 HydrophobicContact CB-CG 4.37Å; F97-Q160 HydrophobicContact CD1-CB 3.77Å; F97-Q160 HydrophobicContact CD1-CG 3.96Å; F97-Q160 HydrophobicContact CD2-CB 4.29Å; F97-Q160 HydrophobicContact CD2-CG 3.72Å; F97-Q160 HydrophobicContact CE1-CB 3.63Å; F97-Q160 HydrophobicContact CE1-CG 4.14Å; F97-Q160 HydrophobicContact CE2-CB 4.18Å; F97-Q160 HydrophobicContact CE2-CG 3.92Å; F97-Q160 HydrophobicContact CG-CB 4.11Å; F97-Q160 HydrophobicContact CG-CG 3.75Å; F97-Q160 HydrophobicContact CZ-CB 3.86Å; F97-Q160 HydrophobicContact CZ-CG 4.14Å; S132-Q160 PolarHBondContact O-NE2 3.34Å; S132-Q160 PolarHBondContact OG-NE2 2.81Å; S132-Q160 VanDerWaalsContact OG-NE2 3.14Å; T135-Q160 VanDerWaalsContact CG2-OE1 3.29Å; Q136-Q160 HydrophobicContact CB-CG 4.12Å; Q136-Q160 HydrophobicContact CG-CG 4.31Å; M156-Q160 WeakPolarHBondContact O-CB 3.37Å; M156-Q160 PolarHBondContact O-N 2.85Å; V157-Q160 PolarHBondContact O-N 3.24Å; V158-Q160 PolarHBondContact O-N 3.4Å; Q160-V163 PolarHBondContact O-N 3.21Å; Q160-G164 PolarHBondContact O-N 3.49Å
161S96.1Very high94.4Very high50 Ų5060.4 Ų60.435%0.3534%0.34SS..Hα-helixtrans-61.7-45.3178.2-580000111.1V157 V158 F159 G164 C165V157-S161 WeakPolarHBondContact O-CB 3.48Å; V157-S161 PolarHBondContact O-N 2.72Å; V157-S161 PolarHBondContact O-OG 3.23Å; V158-S161 WeakPolarHBondContact O-CB 3.21Å; V158-S161 PolarHBondContact O-N 2.97Å; F159-S161 VanDerWaalsContact C-N 3.32Å; F159-S161 PolarHBondContact O-N 3.04Å; S161-G164 PolarHBondContact O-N 3.45Å; S161-C165 PolarHBondContact O-N 2.65Å; S161-C165 VanDerWaalsContact O-N 3.07Å; S161-C165 PolarHBondContact O-SG 2.97Å
162I96.9Very high94.6Very high93 Ų9360.8 Ų60.848%0.47734%0.335SS..Hα-helixtrans-62.5-47.7177.1-65.5167.9000110.9V158 F159 G164 C165 I166V158-I162 HydrophobicContact CG1-CD1 4.11Å; V158-I162 WeakPolarHBondContact O-CG1 3.31Å; V158-I162 PolarHBondContact O-N 3.26Å; V158-I162 VanDerWaalsContact O-N 3.08Å; F159-I162 PolarHBondContact O-N 2.85Å; I162-G164 VanDerWaalsContact C-N 3.34Å; I162-G164 PolarHBondContact O-N 3.4Å; I162-C165 PolarHBondContact O-N 3.14Å; I162-I166 HydrophobicContact CG2-CD1 3.97Å; I162-I166 WeakPolarHBondContact O-CG1 3.31Å; I162-I166 PolarHBondContact O-N 3.47Å; I162-I166 VanDerWaalsContact O-N 3.09Å
163V95.6Very high94.7Very high34 Ų3458.3 Ų58.321%0.20633%0.327CS..Hα-helixtrans-63.2-40.6179.1171.70000111.4F97 F159 Q160 I166 I167F97-V163 HydrophobicContact CE2-CB 4.32Å; F97-V163 HydrophobicContact CE2-CG1 4.14Å; F97-V163 HydrophobicContact CZ-CB 4.29Å; F97-V163 HydrophobicContact CZ-CG1 4.49Å; F97-V163 HydrophobicContact CZ-CG2 4.38Å; F159-V163 HydrophobicContact CD1-CG2 4.41Å; F159-V163 HydrophobicContact CD2-CG2 4.38Å; F159-V163 HydrophobicContact CE1-CG2 3.99Å; F159-V163 HydrophobicContact CE2-CG2 3.96Å; F159-V163 HydrophobicContact CZ-CG2 3.74Å; F159-V163 WeakPolarHBondContact O-CG2 3.38Å; F159-V163 PolarHBondContact O-N 3.15Å; Q160-V163 PolarHBondContact O-N 3.21Å; V163-I166 PolarHBondContact O-N 3.27Å; V163-I167 HydrophobicContact CG1-CD1 3.89Å; V163-I167 HydrophobicContact CG1-CG1 4.44Å; V163-I167 WeakPolarHBondContact O-CG1 3.42Å; V163-I167 PolarHBondContact O-N 3.24Å
164G95.9Very high94.7Very high2 Ų258.3 Ų58.32%0.02133%0.327CS..Hα-helixtrans-56.5-51.5174.900000111.8Q160 S161 I162 I166 I167 D168Q160-G164 PolarHBondContact O-N 3.49Å; S161-G164 PolarHBondContact O-N 3.45Å; I162-G164 VanDerWaalsContact C-N 3.34Å; I162-G164 PolarHBondContact O-N 3.4Å; G164-I166 VanDerWaalsContact C-N 3.29Å; G164-I166 PolarHBondContact O-N 2.78Å; G164-I167 PolarHBondContact O-N 2.86Å; G164-D168 PolarHBondContact O-N 3.33Å
165C96.3Very high94.7Very high85 Ų8556.9 Ų56.957%0.57432%0.318SS*.Hα-helixtrans-59.9-36.9177.2-65.30000113.1S161 I162 A169S161-C165 PolarHBondContact O-N 2.65Å; S161-C165 VanDerWaalsContact O-N 3.07Å; S161-C165 PolarHBondContact O-SG 2.97Å; I162-C165 PolarHBondContact O-N 3.14Å; C165-A169 VanDerWaalsContact O-CB 3.32Å; C165-A169 WeakPolarHBondContact O-CB 3.3Å; C165-A169 PolarHBondContact O-N 3.43Å
166I95.6Very high94.6Very high108 Ų10856.6 Ų56.655%0.55432%0.32SS*.Hα-helixtrans-65.9-44.3177-68.9167.2000111I162 V163 G164 A169 F170I162-I166 HydrophobicContact CG2-CD1 3.97Å; I162-I166 WeakPolarHBondContact O-CG1 3.31Å; I162-I166 PolarHBondContact O-N 3.47Å; I162-I166 VanDerWaalsContact O-N 3.09Å; V163-I166 PolarHBondContact O-N 3.27Å; G164-I166 VanDerWaalsContact C-N 3.29Å; G164-I166 PolarHBondContact O-N 2.78Å; I166-A169 PolarHBondContact O-N 2.85Å; I166-F170 PolarHBondContact O-N 2.9Å
167I94.3Very high94.4Very high31 Ų3156 Ų5616%0.15932%0.322CS..Hα-helixtrans-62.2-46.7177.8-67.7168.9000110.1F90 V163 G164 A169 F170 I171F90-I167 HydrophobicContact CD1-CG2 4.2Å; F90-I167 HydrophobicContact CE1-CG2 3.82Å; F90-I167 HydrophobicContact CZ-CG2 4.23Å; V163-I167 HydrophobicContact CG1-CD1 3.89Å; V163-I167 HydrophobicContact CG1-CG1 4.44Å; V163-I167 WeakPolarHBondContact O-CG1 3.42Å; V163-I167 PolarHBondContact O-N 3.24Å; G164-I167 PolarHBondContact O-N 2.86Å; I167-A169 PolarHBondContact O-N 2.81Å; I167-F170 PolarHBondContact O-N 2.86Å; I167-I171 HydrophobicContact CG2-CD1 3.78Å; I167-I171 HydrophobicContact CG2-CG1 4.49Å; I167-I171 WeakPolarHBondContact O-CG1 3.41Å; I167-I171 PolarHBondContact O-N 2.84Å
168D94.5Very high94.2Very high63 Ų6355.9 Ų55.934%0.33732%0.319SS..Hα-helixtrans-60.5-45.9178.8-71-19000111.8F90 G164 F170 I171 I172F90-D168 VanDerWaalsContact CE1-OD1 3.28Å; F90-D168 WeakPolarHBondContact CE1-OD1 3.33Å; F90-D168 VanDerWaalsContact CZ-OD1 3.23Å; F90-D168 WeakPolarHBondContact CZ-OD1 3.38Å; G164-D168 PolarHBondContact O-N 3.33Å; D168-F170 VanDerWaalsContact C-N 3.32Å; D168-F170 PolarHBondContact O-N 3.45Å; D168-I171 PolarHBondContact O-N 2.81Å; D168-I172 WeakPolarHBondContact O-CG1 3.43Å; D168-I172 PolarHBondContact O-N 2.93Å
169A94.5Very high93.8Very high63 Ų6358.1 Ų58.152%0.52133%0.326SS..Hα-helixtrans-59.7-42177.400000112C165 I166 I167 G173C165-A169 VanDerWaalsContact O-CB 3.32Å; C165-A169 WeakPolarHBondContact O-CB 3.3Å; C165-A169 PolarHBondContact O-N 3.43Å; I166-A169 PolarHBondContact O-N 2.85Å; I167-A169 PolarHBondContact O-N 2.81Å; A169-G173 PolarHBondContact O-N 2.91Å
170F92Very high93.3Very high97 Ų9755.8 Ų55.843%0.42532%0.323SS..Hα-helixtrans-64.7-43.7177.4-173.9-96.2000111.9F71 I166 I167 D168 G173 A174F71-F170 HydrophobicContact CD2-CE2 4.22Å; F71-F170 HydrophobicContact CD2-CZ 4.43Å; I166-F170 PolarHBondContact O-N 2.9Å; I167-F170 PolarHBondContact O-N 2.86Å; D168-F170 VanDerWaalsContact C-N 3.32Å; D168-F170 PolarHBondContact O-N 3.45Å; F170-G173 PolarHBondContact O-N 2.98Å; F170-A174 VanDerWaalsContact O-CB 3.31Å; F170-A174 WeakPolarHBondContact O-CB 3.1Å; F170-A174 PolarHBondContact O-N 3.41Å
171I92.7Very high92.7Very high25 Ų2559.3 Ų59.313%0.12834%0.339CS..Hα-helixtrans-64.1-49.2179.5-69.6171.7000110.6F86 F90 I167 D168 G173 A174 V175F86-I171 HydrophobicContact CB-CD1 4.06Å; F86-I171 HydrophobicContact CB-CG1 4.33Å; F86-I171 HydrophobicContact CD1-CD1 4.3Å; F86-I171 HydrophobicContact CD1-CG1 3.73Å; F86-I171 HydrophobicContact CD2-CG1 4.29Å; F86-I171 HydrophobicContact CD2-CG2 3.79Å; F86-I171 HydrophobicContact CE1-CG1 4.05Å; F86-I171 HydrophobicContact CE2-CG2 3.96Å; F86-I171 HydrophobicContact CG-CD1 4.17Å; F86-I171 HydrophobicContact CG-CG1 3.88Å; F86-I171 HydrophobicContact CG-CG2 4.2Å; F86-I171 HydrophobicContact CZ-CG1 4.46Å; F90-I171 HydrophobicContact CD2-CD1 4.01Å; F90-I171 HydrophobicContact CE1-CD1 4.27Å; F90-I171 HydrophobicContact CE2-CD1 3.23Å; F90-I171 HydrophobicContact CZ-CD1 3.39Å; I167-I171 HydrophobicContact CG2-CD1 3.78Å; I167-I171 HydrophobicContact CG2-CG1 4.49Å; I167-I171 WeakPolarHBondContact O-CG1 3.41Å; I167-I171 PolarHBondContact O-N 2.84Å; D168-I171 PolarHBondContact O-N 2.81Å; I171-G173 VanDerWaalsContact C-N 3.31Å; I171-G173 PolarHBondContact O-N 2.91Å; I171-A174 PolarHBondContact O-N 2.85Å; I171-V175 HydrophobicContact CG2-CG2 4.26Å; I171-V175 WeakPolarHBondContact O-CB 3.26Å; I171-V175 VanDerWaalsContact O-CG2 3.23Å; I171-V175 WeakPolarHBondContact O-CG2 3.42Å; I171-V175 PolarHBondContact O-N 3.11Å
172I93.9Very high91.7Very high109 Ų10958.1 Ų58.156%0.55933%0.33SS*.Hα-helixtrans-59.3-46177.8-66.8168.2000110D168 A174 V175 M176D168-I172 WeakPolarHBondContact O-CG1 3.43Å; D168-I172 PolarHBondContact O-N 2.93Å; I172-A174 PolarHBondContact O-N 3.48Å; I172-V175 PolarHBondContact O-N 3.45Å; I172-M176 HydrophobicContact CG2-CG 4.3Å; I172-M176 VanDerWaalsContact O-CB 3.31Å; I172-M176 WeakPolarHBondContact O-CB 3.18Å; I172-M176 VanDerWaalsContact O-CG 3.26Å; I172-M176 WeakPolarHBondContact O-CG 3.13Å; I172-M176 PolarHBondContact O-N 3.22Å
173G92.9Very high90.5Very high35 Ų3561.5 Ų61.536%0.36134%0.341SS..Hα-helixtrans-59.4-47.1177.600000113A169 F170 I171 M176 A177A169-G173 PolarHBondContact O-N 2.91Å; F170-G173 PolarHBondContact O-N 2.98Å; I171-G173 VanDerWaalsContact C-N 3.31Å; I171-G173 PolarHBondContact O-N 2.91Å; G173-M176 PolarHBondContact O-N 2.81Å; G173-A177 VanDerWaalsContact O-CB 3.3Å; G173-A177 WeakPolarHBondContact O-CB 3.22Å; G173-A177 PolarHBondContact O-N 2.8Å
174A91.9Very high89.4Confident0 Ų067.6 Ų67.60%037%0.365CS..Hα-helixtrans-67.5-40.9179.200000112.5F86 F170 I171 I172 K178F86-A174 HydrophobicContact CE1-CB 4.49Å; F86-A174 HydrophobicContact CZ-CB 3.75Å; F170-A174 VanDerWaalsContact O-CB 3.31Å; F170-A174 WeakPolarHBondContact O-CB 3.1Å; F170-A174 PolarHBondContact O-N 3.41Å; I171-A174 PolarHBondContact O-N 2.85Å; I172-A174 PolarHBondContact O-N 3.48Å; A174-K178 VanDerWaalsContact O-CB 3.29Å; A174-K178 WeakPolarHBondContact O-CB 3.41Å; A174-K178 PolarHBondContact O-N 2.62Å
175V92.6Very high88.6Confident33 Ų3368.2 Ų68.220%0.237%0.366CS..Hα-helixtrans-62.8-47.9175.4171.50000110.4W79 M82 F86 I171 I172 K178 M179W79-V175 HydrophobicContact CH2-CG1 4.35Å; W79-V175 HydrophobicContact CZ3-CG1 4.48Å; M82-V175 HydrophobicContact CE-CG2 3.9Å; F86-V175 HydrophobicContact CD2-CG2 4.49Å; F86-V175 HydrophobicContact CE2-CG2 3.77Å; I171-V175 HydrophobicContact CG2-CG2 4.26Å; I171-V175 WeakPolarHBondContact O-CB 3.26Å; I171-V175 VanDerWaalsContact O-CG2 3.23Å; I171-V175 WeakPolarHBondContact O-CG2 3.42Å; I171-V175 PolarHBondContact O-N 3.11Å; I172-V175 PolarHBondContact O-N 3.45Å; V175-K178 PolarHBondContact O-N 2.67Å; V175-M179 HydrophobicContact CG1-CG 4.34Å; V175-M179 HydrophobicContact CG1-SD 3.84Å; V175-M179 WeakPolarHBondContact O-CB 3.45Å; V175-M179 VanDerWaalsContact O-CG 3.3Å; V175-M179 WeakPolarHBondContact O-CG 3.47Å; V175-M179 PolarHBondContact O-N 2.86Å
176M91.5Very high87.5Confident119 Ų11966.3 Ų66.359%0.58635%0.351SS*.Hα-helixtrans-61.5-46.1178.4-75.7-63.2-67.800111.7I172 G173 K178 M179 A180I172-M176 HydrophobicContact CG2-CG 4.3Å; I172-M176 VanDerWaalsContact O-CB 3.31Å; I172-M176 WeakPolarHBondContact O-CB 3.18Å; I172-M176 VanDerWaalsContact O-CG 3.26Å; I172-M176 WeakPolarHBondContact O-CG 3.13Å; I172-M176 PolarHBondContact O-N 3.22Å; G173-M176 PolarHBondContact O-N 2.81Å; M176-K178 VanDerWaalsContact C-N 3.31Å; M176-K178 PolarHBondContact O-N 2.67Å; M176-M179 PolarHBondContact O-N 3.02Å; M176-A180 WeakPolarHBondContact O-CB 3.36Å; M176-A180 PolarHBondContact O-N 2.68Å
177A90.3Very high86.7Confident32 Ų3268.4 Ų68.426%0.26436%0.358SS..Hα-helixtrans-59.9-41.4175.800000111.9F71 V75 G173 A180 K181F71-A177 HydrophobicContact CZ-CB 3.9Å; V75-A177 HydrophobicContact CG1-CB 4.49Å; V75-A177 HydrophobicContact CG2-CB 4.14Å; G173-A177 VanDerWaalsContact O-CB 3.3Å; G173-A177 WeakPolarHBondContact O-CB 3.22Å; G173-A177 PolarHBondContact O-N 2.8Å; A177-A180 PolarHBondContact O-N 2.79Å; A177-K181 PolarHBondContact O-N 3.27Å
178K90.9Very high86.4Confident26 Ų2667.9 Ų67.911%0.11336%0.356CS..Hα-helixtrans-69-37177.6-170.9172.9-172.661.40113.1V75 I77 W79 M82 A174 V175 M176 K181V75-K178 HydrophobicContact CG1-CB 4.02Å; V75-K178 HydrophobicContact CG1-CG 4.46Å; V75-K178 PolarHBondContact O-NZ 3.41Å; I77-K178 VanDerWaalsContact O-CE 3.3Å; I77-K178 WeakPolarHBondContact O-CE 3.34Å; I77-K178 PolarHBondContact O-NZ 3.19Å; W79-K178 HydrophobicContact CD2-CD 3.98Å; W79-K178 HydrophobicContact CE3-CD 4.23Å; W79-K178 HydrophobicContact CH2-CB 4.35Å; W79-K178 HydrophobicContact CH2-CD 4.08Å; W79-K178 HydrophobicContact CH2-CG 4.2Å; W79-K178 HydrophobicContact CZ2-CB 4.29Å; W79-K178 HydrophobicContact CZ2-CD 3.82Å; W79-K178 HydrophobicContact CZ2-CG 3.74Å; W79-K178 HydrophobicContact CZ3-CD 4.29Å; M82-K178 HydrophobicContact CE-CD 3.74Å; M82-K178 HydrophobicContact SD-CB 4.42Å; M82-K178 HydrophobicContact SD-CD 3.34Å; M82-K178 WeakPolarHBondContact SD-CD 3.35Å; A174-K178 VanDerWaalsContact O-CB 3.29Å; A174-K178 WeakPolarHBondContact O-CB 3.41Å; A174-K178 PolarHBondContact O-N 2.62Å; V175-K178 PolarHBondContact O-N 2.67Å; M176-K178 VanDerWaalsContact C-N 3.31Å; M176-K178 PolarHBondContact O-N 2.67Å; K178-K181 PolarHBondContact O-N 3.15Å
179M88.1Confident86.3Confident127 Ų12765.1 Ų65.163%0.62634%0.342SS*.Hα-helixtrans-68.3-36.2175.8-74.3179.961.400112W79 V175 M176 K181W79-M179 HydrophobicContact CH2-CG 3.72Å; W79-M179 HydrophobicContact CZ2-CG 4.01Å; V175-M179 HydrophobicContact CG1-CG 4.34Å; V175-M179 HydrophobicContact CG1-SD 3.84Å; V175-M179 WeakPolarHBondContact O-CB 3.45Å; V175-M179 VanDerWaalsContact O-CG 3.3Å; V175-M179 WeakPolarHBondContact O-CG 3.47Å; V175-M179 PolarHBondContact O-N 2.86Å; M176-M179 PolarHBondContact O-N 3.02Å; M179-K181 VanDerWaalsContact C-N 3.29Å; M179-K181 PolarHBondContact O-N 2.87Å
180A86.6Confident86.3Confident40 Ų4063.7 Ų63.733%0.33133%0.326SS..Hα-helixtrans-68.3-26.8177.700000113M176 A177 P182 M303M176-A180 WeakPolarHBondContact O-CB 3.36Å; M176-A180 PolarHBondContact O-N 2.68Å; A177-A180 PolarHBondContact O-N 2.79Å; A180-P182 WeakPolarHBondContact O-CD 2.89Å; A180-M303 HydrophobicContact CB-SD 3.91Å
181K82.6Confident86.6Confident74 Ų7460 Ų6032%0.32231%0.31SS..  trans-57.5123.5-178.7-83.5-169.6173.3177.20111.7V75 D76 A177 K178 M179 K183V75-K181 HydrophobicContact CG1-CD 3.7Å; V75-K181 VanDerWaalsContact CG1-CE 3.4Å; V75-K181 HydrophobicContact CG1-CG 4.39Å; D76-K181 IonicContact OD1-NZ 3.45Å; D76-K181 PolarHBondContact OD1-NZ 3.39Å; D76-K181 IonicContact OD2-NZ 3.6Å; D76-K181 PolarHBondContact OD2-NZ 3.45Å; A177-K181 PolarHBondContact O-N 3.27Å; K178-K181 PolarHBondContact O-N 3.15Å; M179-K181 VanDerWaalsContact C-N 3.29Å; M179-K181 PolarHBondContact O-N 2.87Å; K181-K183 PolarHBondContact O-N 2.92Å
182P75.7Confident86.8Confident25 Ų2558.9 Ų58.916%0.16230%0.304CS..  trans-7833-174.232.6-37000114.2A180 K184 R185 V298 M303A180-P182 WeakPolarHBondContact O-CD 2.89Å; P182-K184 VanDerWaalsContact C-N 3.29Å; P182-K184 PolarHBondContact O-N 3.31Å; P182-R185 HydrophobicContact CB-CB 4.15Å; P182-R185 VanDerWaalsContact O-CB 3.22Å; P182-R185 WeakPolarHBondContact O-CB 3.47Å; P182-R185 PolarHBondContact O-N 2.94Å; P182-V298 HydrophobicContact CB-CG2 3.69Å; P182-V298 HydrophobicContact CG-CG2 4.47Å; P182-M303 HydrophobicContact CG-CB 4.17Å
183K72.6Confident86.9Confident163 Ų16358.9 Ų58.971%0.70930%0.302SS*.THydrogen-bonded Turntrans-59.9-37.1-173.5-171.7173.1-177.6171.90113.3K181 R185K181-K183 PolarHBondContact O-N 2.92Å; K183-R185 VanDerWaalsContact C-N 3.27Å; K183-R185 PolarHBondContact O-N 3.26Å
184K72.8Confident87.1Confident163 Ų16359.4 Ų59.471%0.70930%0.296SS*.THydrogen-bonded Turntrans-76.1-11.9177.2-66.6-166.9176.6-1730113.4P182P182-K184 VanDerWaalsContact C-N 3.29Å; P182-K184 PolarHBondContact O-N 3.31Å
185R77.4Confident87.4Confident14 Ų1459.5 Ų59.55%0.05330%0.297CS..THydrogen-bonded Turntrans-70.3-36177.9-169.270.9164.4125-7.1111P182 K183 E187 T188 L189 N212 S216 H217 V298 T305P182-R185 HydrophobicContact CB-CB 4.15Å; P182-R185 VanDerWaalsContact O-CB 3.22Å; P182-R185 WeakPolarHBondContact O-CB 3.47Å; P182-R185 PolarHBondContact O-N 2.94Å; K183-R185 VanDerWaalsContact C-N 3.27Å; K183-R185 PolarHBondContact O-N 3.26Å; R185-E187 PolarHBondContact O-N 3.39Å; R185-T188 PolarHBondContact NH1-OG1 2.92Å; R185-T188 VanDerWaalsContact NH1-OG1 3.13Å; R185-T188 PolarHBondContact O-N 2.68Å; R185-T188 PolarHBondContact O-OG1 3.48Å; R185-L189 PolarHBondContact O-N 2.75Å; R185-N212 PolarHBondContact NH1-OD1 3.42Å; R185-S216 PolarHBondContact NH2-O 3.31Å; R185-S216 PolarHBondContact NH2-OG 2.85Å; R185-S216 VanDerWaalsContact NH2-OG 3.15Å; R185-H217 PolarHBondContact NH2-O 2.87Å; R185-H217 VanDerWaalsContact NH2-O 3.12Å; R185-V298 HydrophobicContact CB-CG2 4.2Å; R185-V298 HydrophobicContact CG-CG2 3.79Å; R185-T305 HydrophobicContact CG-CG2 4.31Å
186N74.1Confident87.6Confident46 Ų4657.9 Ų57.925%0.24629%0.287CS..G310 helixtrans-53-38.5176.3-72.318.4000112.3T188 L189 T305 Q306 C307N186-T188 PolarHBondContact O-N 3.24Å; N186-L189 PolarHBondContact O-N 2.93Å; N186-L189 VanDerWaalsContact O-O 3.14Å; N186-T305 PolarHBondContact OD1-OG1 2.85Å; N186-Q306 PolarHBondContact ND2-O 3.5Å; N186-C307 PolarHBondContact O-SG 3.2Å
187E79.6Confident87.9Confident151 Ų15152.5 Ų52.571%0.70626%0.261SS*.G310 helixtrans-68.3-17.5178.6-63.3173.2-176.800113.3R185R185-E187 PolarHBondContact O-N 3.39Å
188T87.6Confident88.2Confident20 Ų2051 Ų5112%0.12325%0.249CC..G310 helixtrans-98.3-6.5179.665.10000114.3R185 N186 L213 R214R185-T188 PolarHBondContact NH1-OG1 2.92Å; R185-T188 VanDerWaalsContact NH1-OG1 3.13Å; R185-T188 PolarHBondContact O-N 2.68Å; R185-T188 PolarHBondContact O-OG1 3.48Å; N186-T188 PolarHBondContact O-N 3.24Å; T188-L213 WeakPolarHBondContact O-CB 3.49Å; T188-L213 WeakPolarHBondContact O-CG 3.42Å; T188-L213 PolarHBondContact O-N 2.89Å; T188-R214 HydrophobicContact CG2-CG 4.09Å
189L92.6Very high88.4Confident6 Ų652.2 Ų52.23%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-99.4119.4171.1-65.4174.6000107.5R185 N186 G211 N212 L218 L259 L294 T305 C307R185-L189 PolarHBondContact O-N 2.75Å; N186-L189 PolarHBondContact O-N 2.93Å; N186-L189 VanDerWaalsContact O-O 3.14Å; L189-G211 WeakPolarHBondContact CA-O 3.29Å; L189-N212 HydrophobicContact CD2-CB 4.2Å; L189-L218 HydrophobicContact CD1-CD1 4.42Å; L189-L218 HydrophobicContact CD1-CD2 4.04Å; L189-L218 HydrophobicContact CD2-CD2 4.24Å; L189-L259 HydrophobicContact CD2-CD2 4.24Å; L189-L294 HydrophobicContact CB-CD2 4.36Å; L189-L294 HydrophobicContact CD1-CD2 4.06Å; L189-L294 HydrophobicContact CD2-CD2 4.19Å; L189-L294 HydrophobicContact CG-CD2 4.43Å; L189-T305 HydrophobicContact CD1-CG2 4.41Å; L189-C307 HydrophobicContact CB-CB 4.14Å; L189-C307 HydrophobicContact CD1-CB 4.08Å
190V94.2Very high88.7Confident33 Ų3350 Ų5020%0.224%0.24CC..EExtended strand (participates in β ladder)trans-115.4142.3-172.6-68.60000111.6V210 G211 L213 Y337 F340V190-V210 CarbonylContact O-C 3.53Å; V190-V210 WeakPolarHBondContact O-CA 3.32Å; V190-G211 PolarHBondContact N-O 3.42Å; V190-G211 PolarHBondContact O-N 3.41Å; V190-L213 HydrophobicContact CG1-CD1 3.58Å; V190-L213 HydrophobicContact CG1-CD2 4.48Å; V190-L213 HydrophobicContact CG1-CG 3.97Å; V190-L213 HydrophobicContact CG2-CD2 4.01Å; V190-L213 HydrophobicContact CG2-CG 4.07Å; V190-Y337 HydrophobicContact CG2-CE1 4.47Å; V190-F340 HydrophobicContact CB-CE1 4.47Å; V190-F340 HydrophobicContact CG2-CE1 4.04Å; V190-F340 HydrophobicContact CG2-CE2 4.21Å; V190-F340 HydrophobicContact CG2-CZ 3.8Å
191F97.1Very high89Confident20 Ų2055 Ų559%0.08826%0.261CS..EExtended strand (participates in β ladder)trans-106.1152.3172.4-67.6-90.6000110.1R209 V210 V292 L294 C307 H341F191-R209 CarbonylContact C-O 3.53Å; F191-R209 VanDerWaalsContact CA-O 3.29Å; F191-R209 WeakPolarHBondContact CA-O 3.33Å; F191-V210 HydrophobicContact CD1-CG1 3.62Å; F191-V210 HydrophobicContact CE1-CG1 3.54Å; F191-V210 HydrophobicContact CZ-CG1 4.49Å; F191-V292 HydrophobicContact CD1-CG2 3.62Å; F191-V292 HydrophobicContact CE1-CB 4.24Å; F191-V292 HydrophobicContact CE1-CG2 3.62Å; F191-V292 HydrophobicContact CG-CG2 4.37Å; F191-V292 HydrophobicContact CZ-CG2 4.36Å; F191-L294 HydrophobicContact CE1-CB 4.3Å; F191-L294 HydrophobicContact CZ-CB 3.72Å; F191-C307 HydrophobicContact CE2-CB 4.09Å; F191-H341 PolarHBondContact O-CE1 2.98Å
192S97.4Very high89.4Confident1 Ų158.1 Ų58.11%0.00728%0.281CS..  trans-60.1149.6169.9550000110.3N194 R209 Y311 F322S192-N194 VanDerWaalsContact C-N 3.31Å; S192-N194 VanDerWaalsContact CB-O 3.31Å; S192-N194 WeakPolarHBondContact CB-O 3.22Å; S192-N194 PolarHBondContact OG-O 3.23Å; S192-R209 PolarHBondContact N-O 2.87Å; S192-R209 PolarHBondContact OG-N 3.49Å; S192-Y311 WeakPolarHBondContact O-CE1 3.29Å; S192-Y311 PolarHBondContact O-OH 3.35Å; S192-Y311 PolarHBondContact OG-OH 2.74Å; S192-F322 WeakPolarHBondContact OG-CZ 3.49Å
193H95.8Very high90.2Very high108 Ų10861.4 Ų61.450%0.529%0.293SS..SBendtrans-69.1-37.2179.6-76.8-53.2000111.4K48 Y311 H341K48-H193 PolarHBondContact NZ-O 2.95Å; H193-Y311 WeakPolarHBondContact O-CE1 3.37Å; H193-H341 AromaticContact CD2-CD2 3.9Å; H193-H341 AromaticContact CD2-CE1 3.64Å; H193-H341 AromaticContact CD2-CG 3.37Å; H193-H341 AromaticContact CD2-ND1 3.19Å; H193-H341 PolarHBondContact CD2-ND1 3.37Å; H193-H341 AromaticContact CG-ND1 3.63Å; H193-H341 PolarHBondContact N-ND1 2.9Å; H193-H341 AromaticContact NE2-CE1 3.63Å; H193-H341 AromaticContact NE2-CG 3.95Å; H193-H341 AromaticContact NE2-ND1 3.69Å; H193-H341 AromaticContact NE2-NE2 3.87Å
194N97.4Very high91.3Very high47 Ų4754 Ų5425%0.25126%0.261SS..SBendtrans-114.3153178.3-61.689.7000110.2S192 Y311 E315 L317 F322S192-N194 VanDerWaalsContact C-N 3.31Å; S192-N194 VanDerWaalsContact CB-O 3.31Å; S192-N194 WeakPolarHBondContact CB-O 3.22Å; S192-N194 PolarHBondContact OG-O 3.23Å; N194-Y311 VanDerWaalsContact C-CE1 3.47Å; N194-E315 WeakPolarHBondContact CA-O 3.41Å; N194-E315 VanDerWaalsContact CB-O 3.31Å; N194-E315 WeakPolarHBondContact CB-O 3.44Å; N194-E315 PolarHBondContact ND2-O 3Å; N194-L317 HydrophobicContact CB-CD1 3.81Å; N194-L317 HydrophobicContact CB-CG 4.02Å; N194-F322 WeakPolarHBondContact O-CZ 3.32Å
195A97.8Very high92.4Very high1 Ų146.5 Ų46.51%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-96.7160.5160.200000108.3L206 M207 W208 Y311 E315 I316 L317A195-L206 HydrophobicContact CB-CD1 4.08Å; A195-M207 CarbonylContact C-O 3.57Å; A195-M207 VanDerWaalsContact CA-O 3.28Å; A195-M207 WeakPolarHBondContact CA-O 3.48Å; A195-M207 WeakPolarHBondContact CB-O 3.45Å; A195-W208 HydrophobicContact CB-CB 4.32Å; A195-Y311 HydrophobicContact CB-CD1 3.97Å; A195-Y311 HydrophobicContact CB-CD2 4.11Å; A195-Y311 HydrophobicContact CB-CE1 4.29Å; A195-Y311 HydrophobicContact CB-CE2 4.38Å; A195-Y311 HydrophobicContact CB-CG 3.9Å; A195-E315 PolarHBondContact N-O 2.72Å; A195-I316 HydrophobicContact CB-CG1 4.27Å; A195-I316 CarbonylContact O-C 3.55Å; A195-I316 WeakPolarHBondContact O-CA 3.45Å; A195-L317 PolarHBondContact O-N 3Å
196T97.5Very high93.4Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-131.5140.5-177.160.20000110.4M207 L317 H320 F322 T343T196-M207 PolarHBondContact N-O 3.01Å; T196-M207 PolarHBondContact O-N 3.13Å; T196-L317 CarbonylContact C-O 3.5Å; T196-L317 VanDerWaalsContact CA-O 3.3Å; T196-L317 WeakPolarHBondContact CA-O 3.03Å; T196-L317 HydrophobicContact CG2-CB 4.43Å; T196-H320 WeakPolarHBondContact CB-O 3.44Å; T196-H320 HydrophobicContact CG2-CB 3.82Å; T196-F322 HydrophobicContact CG2-CE1 4.36Å; T196-F322 HydrophobicContact CG2-CE2 4.05Å; T196-F322 HydrophobicContact CG2-CZ 3.96Å; T196-F322 WeakPolarHBondContact OG1-CE2 3.46Å; T196-T343 HydrophobicContact CG2-CG2 3.71Å
197V97.4Very high94.5Very high6 Ų644 Ų444%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-109.5121.9170.51770000108.4L204 C205 L206 I269 I316 L317 W318 G319V197-L204 HydrophobicContact CG1-CD1 3.79Å; V197-L204 HydrophobicContact CG1-CD2 4.23Å; V197-L204 HydrophobicContact CG1-CG 3.9Å; V197-C205 WeakPolarHBondContact CA-O 3.49Å; V197-L206 HydrophobicContact CG2-CB 4.46Å; V197-L206 HydrophobicContact CG2-CD1 3.75Å; V197-I269 HydrophobicContact CG1-CD1 4.33Å; V197-I316 HydrophobicContact CG2-CG2 3.73Å; V197-L317 PolarHBondContact N-O 3.47Å; V197-W318 HydrophobicContact CB-CD2 4.25Å; V197-W318 HydrophobicContact CB-CE3 4.06Å; V197-W318 HydrophobicContact CG1-CD2 4.07Å; V197-W318 HydrophobicContact CG1-CE3 3.9Å; V197-W318 HydrophobicContact CG1-CH2 4.18Å; V197-W318 HydrophobicContact CG1-CZ2 4.32Å; V197-W318 HydrophobicContact CG1-CZ3 3.97Å; V197-W318 HydrophobicContact CG2-CE3 4.37Å; V197-G319 WeakPolarHBondContact O-CA 3.46Å; V197-G319 PolarHBondContact O-N 3.37Å
198A96.6Very high95.4Very high0 Ų036.9 Ų36.90%018%0.183CC..EExtended strand (participates in β ladder)trans-155.9167.5175.500000111.9C205 M207 H320 R321A198-C205 PolarHBondContact N-O 2.84Å; A198-C205 VanDerWaalsContact N-O 3.11Å; A198-C205 PolarHBondContact O-N 2.76Å; A198-M207 HydrophobicContact CB-CE 3.81Å; A198-H320 VanDerWaalsContact CB-O 3.31Å; A198-H320 WeakPolarHBondContact CB-O 2.98Å; A198-R321 HydrophobicContact CB-CG 3.85Å
199M95.1Very high95.9Very high51 Ų5136.7 Ų36.725%0.25118%0.18SC..EExtended strand (participates in β ladder)trans-72.6131.5175.1-64.6-63.6-70.700111N202 K203 L204 T349 P350 L357M199-N202 VanDerWaalsContact CE-C 3.44Å; M199-N202 WeakPolarHBondContact CE-O 3.01Å; M199-K203 CarbonylContact C-O 3.5Å; M199-K203 VanDerWaalsContact CA-O 3.31Å; M199-K203 WeakPolarHBondContact CA-O 3.43Å; M199-L204 HydrophobicContact SD-CB 4.05Å; M199-L204 HydrophobicContact SD-CD1 3.85Å; M199-T349 HydrophobicContact CG-CG2 4.43Å; M199-P350 VanDerWaalsContact CG-CD 3.49Å; M199-P350 HydrophobicContact CG-CG 4.31Å; M199-P350 HydrophobicContact SD-CG 4.33Å; M199-L357 HydrophobicContact CE-CD1 4.2Å; M199-L357 HydrophobicContact CE-CD2 4.47Å; M199-L357 HydrophobicContact SD-CD1 4.11Å
200R94.3Very high96.1Very high82 Ų8236.4 Ų36.431%0.30918%0.179SC..EExtended strand (participates in β ladder)trans-137.2127169.5-177.2176.2-67.3-163.30.9108.2N202 K203 M207R200-N202 PolarHBondContact O-N 2.77Å; R200-K203 PolarHBondContact N-O 3.42Å; R200-K203 PolarHBondContact O-N 3.32Å; R200-K203 VanDerWaalsContact O-O 3.11Å; R200-M207 VanDerWaalsContact CZ-SD 3.53Å; R200-M207 PolarHBondContact NH2-SD 3.02Å
201D92.8Very high96.1Very high144 Ų14434.9 Ų34.977%0.7717%0.169SC*.THydrogen-bonded Turntrans49.844.3179.6-52.2-39.2000113.6K203D201-K203 PolarHBondContact O-N 2.96Å
202N90.7Very high96Very high139 Ų13934.3 Ų34.374%0.74317%0.167SC*.THydrogen-bonded Turntrans63.517-177-60.7-34.2000116M199 R200M199-N202 VanDerWaalsContact CE-C 3.44Å; M199-N202 WeakPolarHBondContact CE-O 3.01Å; R200-N202 PolarHBondContact O-N 2.77Å
203K93.1Very high95.7Very high95 Ų9538.6 Ų38.641%0.41319%0.19SC..EExtended strand (participates in β ladder)trans-120.8147.3175-52.8-167-175.3-175.50110.8M199 R200 D201 E268M199-K203 CarbonylContact C-O 3.5Å; M199-K203 VanDerWaalsContact CA-O 3.31Å; M199-K203 WeakPolarHBondContact CA-O 3.43Å; R200-K203 PolarHBondContact N-O 3.42Å; R200-K203 PolarHBondContact O-N 3.32Å; R200-K203 VanDerWaalsContact O-O 3.11Å; D201-K203 PolarHBondContact O-N 2.96Å; K203-E268 HydrophobicContact CB-CG 4.39Å; K203-E268 HydrophobicContact CD-CG 3.85Å; K203-E268 WeakPolarHBondContact CD-OE1 3.48Å; K203-E268 VanDerWaalsContact CD-OE2 3.23Å; K203-E268 WeakPolarHBondContact CD-OE2 3.39Å; K203-E268 WeakPolarHBondContact CE-OE1 3.41Å; K203-E268 IonicContact NZ-OE1 2.69Å; K203-E268 PolarHBondContact NZ-OE1 2.87Å; K203-E268 IonicContact NZ-OE2 2.7Å; K203-E268 PolarHBondContact NZ-OE2 2.96Å
204L95.5Very high95.3Very high8 Ų840.2 Ų40.24%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-81.8123.7174.9-168.269.6000108.4V197 M199 I269 W318 T349 A354V197-L204 HydrophobicContact CG1-CD1 3.79Å; V197-L204 HydrophobicContact CG1-CD2 4.23Å; V197-L204 HydrophobicContact CG1-CG 3.9Å; M199-L204 HydrophobicContact SD-CB 4.05Å; M199-L204 HydrophobicContact SD-CD1 3.85Å; L204-I269 HydrophobicContact CD2-CD1 4.1Å; L204-I269 HydrophobicContact CG-CD1 4.13Å; L204-I269 WeakPolarHBondContact O-CB 3.39Å; L204-I269 PolarHBondContact O-N 3.18Å; L204-W318 HydrophobicContact CD1-CZ2 4.39Å; L204-W318 HydrophobicContact CD2-CH2 3.77Å; L204-W318 HydrophobicContact CD2-CZ2 3.9Å; L204-T349 HydrophobicContact CD1-CG2 4.37Å; L204-A354 HydrophobicContact CD2-CB 4.22Å
205C96.9Very high94.8Very high5 Ų547.8 Ų47.83%0.03422%0.222CC..EExtended strand (participates in β ladder)trans-127.2138.4-175.8-58.60000111.7V197 A198 M207 V266 H267V197-C205 WeakPolarHBondContact CA-O 3.49Å; A198-C205 PolarHBondContact N-O 2.84Å; A198-C205 VanDerWaalsContact N-O 3.11Å; A198-C205 PolarHBondContact O-N 2.76Å; C205-M207 HydrophobicContact CB-CG 4.21Å; C205-V266 HydrophobicContact CB-CG1 3.61Å; C205-H267 CarbonylContact C-O 3.55Å; C205-H267 WeakPolarHBondContact CA-O 3.33Å; C205-H267 WeakPolarHBondContact CB-O 3.43Å
206L97.7Very high94.4Very high4 Ų449.7 Ų49.72%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-85.2133.2163.5174.469.3000108.9A195 V197 W208 H267 F275 I290 I316A195-L206 HydrophobicContact CB-CD1 4.08Å; V197-L206 HydrophobicContact CG2-CB 4.46Å; V197-L206 HydrophobicContact CG2-CD1 3.75Å; L206-W208 HydrophobicContact CD2-CZ3 4.17Å; L206-W208 HydrophobicContact CG-CE3 4.37Å; L206-W208 HydrophobicContact CG-CZ3 4.24Å; L206-H267 HydrophobicContact CB-CB 4.26Å; L206-H267 PolarHBondContact N-O 3.33Å; L206-H267 PolarHBondContact O-N 2.84Å; L206-F275 HydrophobicContact CD2-CE2 4.08Å; L206-I290 HydrophobicContact CD2-CD1 3.49Å; L206-I290 VanDerWaalsContact CD2-CD1 3.49Å; L206-I316 HydrophobicContact CD1-CG2 3.96Å
207M97.9Very high94.1Very high3 Ų353 Ų532%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-137.6141.3-173.1-63.5174.7-79.500112.2A195 T196 A198 R200 C205 T264 I265 V266 F322A195-M207 CarbonylContact C-O 3.57Å; A195-M207 VanDerWaalsContact CA-O 3.28Å; A195-M207 WeakPolarHBondContact CA-O 3.48Å; A195-M207 WeakPolarHBondContact CB-O 3.45Å; T196-M207 PolarHBondContact N-O 3.01Å; T196-M207 PolarHBondContact O-N 3.13Å; A198-M207 HydrophobicContact CB-CE 3.81Å; R200-M207 VanDerWaalsContact CZ-SD 3.53Å; R200-M207 PolarHBondContact NH2-SD 3.02Å; C205-M207 HydrophobicContact CB-CG 4.21Å; M207-T264 HydrophobicContact CB-CG2 3.76Å; M207-T264 HydrophobicContact CG-CG2 4.14Å; M207-T264 HydrophobicContact SD-CG2 4.2Å; M207-I265 VanDerWaalsContact CA-O 3.23Å; M207-I265 WeakPolarHBondContact CA-O 3.41Å; M207-V266 HydrophobicContact CG-CG1 4.29Å; M207-V266 HydrophobicContact CG-CG2 4.25Å; M207-F322 HydrophobicContact CB-CE2 4.35Å
208W98.2Very high93.9Very high2 Ų253.1 Ų53.11%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-140.1163.5168.261.295.9000109.7A195 L206 A225 V248 T264 I265 H267 V292 Y311A195-W208 HydrophobicContact CB-CB 4.32Å; L206-W208 HydrophobicContact CD2-CZ3 4.17Å; L206-W208 HydrophobicContact CG-CE3 4.37Å; L206-W208 HydrophobicContact CG-CZ3 4.24Å; W208-A225 HydrophobicContact CH2-CB 3.58Å; W208-A225 HydrophobicContact CZ2-CB 3.81Å; W208-V248 HydrophobicContact CH2-CG1 3.53Å; W208-V248 HydrophobicContact CZ2-CG1 3.92Å; W208-T264 CarbonylContact O-C 3.49Å; W208-T264 WeakPolarHBondContact O-CA 3.3Å; W208-I265 HydrophobicContact CD2-CB 4.09Å; W208-I265 HydrophobicContact CD2-CG2 4.41Å; W208-I265 HydrophobicContact CG-CB 4.42Å; W208-I265 HydrophobicContact CH2-CG2 3.9Å; W208-I265 HydrophobicContact CZ2-CB 3.92Å; W208-I265 HydrophobicContact CZ2-CG2 3.37Å; W208-I265 PolarHBondContact N-O 3.33Å; W208-I265 PolarHBondContact O-N 3.42Å; W208-H267 HydrophobicContact CZ3-CB 4.32Å; W208-V292 HydrophobicContact CD2-CG1 3.9Å; W208-V292 HydrophobicContact CE3-CG1 4.44Å; W208-V292 HydrophobicContact CG-CG1 4.28Å; W208-V292 HydrophobicContact CH2-CG1 4.38Å; W208-V292 HydrophobicContact CZ2-CG1 3.82Å; W208-Y311 HydrophobicContact CB-CE2 3.83Å; W208-Y311 HydrophobicContact CG-CE2 4.08Å
209R97.4Very high93.7Very high16 Ų1656.1 Ų56.16%0.0627%0.269CS..EExtended strand (participates in β ladder)trans-110.2139.4-177.1-149.3179.1-151150.89.8111.2F191 S192 P262 I263 F322 D323 F340F191-R209 CarbonylContact C-O 3.53Å; F191-R209 VanDerWaalsContact CA-O 3.29Å; F191-R209 WeakPolarHBondContact CA-O 3.33Å; S192-R209 PolarHBondContact N-O 2.87Å; S192-R209 PolarHBondContact OG-N 3.49Å; R209-P262 HydrophobicContact CG-CB 4.24Å; R209-I263 WeakPolarHBondContact CA-O 3.49Å; R209-I263 WeakPolarHBondContact CG-O 3.37Å; R209-F322 HydrophobicContact CB-CE1 4.43Å; R209-F322 HydrophobicContact CB-CZ 4.38Å; R209-D323 PolarHBondContact NH1-O 3.48Å; R209-D323 PolarHBondContact NH2-O 3.48Å; R209-F340 HydrophobicContact CB-CE2 4.38Å; R209-F340 HydrophobicContact CB-CZ 4.09Å; R209-F340 HydrophobicContact CG-CE2 3.96Å; R209-F340 HydrophobicContact CG-CZ 4.18Å; R209-F340 PolarHBondContact NH1-O 3.31Å
210V96.9Very high93.6Very high0 Ų060.7 Ų60.70%029%0.29CS..EExtended strand (participates in β ladder)trans-119.8145.1170.3-63.40000109.5V190 F191 I257 L259 P262 I263 I265V190-V210 CarbonylContact O-C 3.53Å; V190-V210 WeakPolarHBondContact O-CA 3.32Å; F191-V210 HydrophobicContact CD1-CG1 3.62Å; F191-V210 HydrophobicContact CE1-CG1 3.54Å; F191-V210 HydrophobicContact CZ-CG1 4.49Å; V210-I257 HydrophobicContact CG2-CD1 3.99Å; V210-L259 HydrophobicContact CG2-CD1 3.95Å; V210-P262 CarbonylContact O-C 3.59Å; V210-P262 VanDerWaalsContact O-CA 3.22Å; V210-P262 WeakPolarHBondContact O-CA 3.08Å; V210-I263 HydrophobicContact CG2-CB 4.28Å; V210-I263 PolarHBondContact N-O 3.13Å; V210-I263 PolarHBondContact O-N 2.86Å; V210-I265 HydrophobicContact CG1-CG1 4.15Å; V210-I265 HydrophobicContact CG2-CD1 3.84Å; V210-I265 HydrophobicContact CG2-CG1 3.96Å
211G95.1Very high93.7Very high0 Ų056.9 Ų56.90%028%0.276CS..EExtended strand (participates in β ladder)trans-147.3151.7-179.500000112.6L189 V190L189-G211 WeakPolarHBondContact CA-O 3.29Å; V190-G211 PolarHBondContact N-O 3.42Å; V190-G211 PolarHBondContact O-N 3.41Å
212N94.1Very high93.8Very high8 Ų852.8 Ų52.84%0.04325%0.252CS..EExtended strand (participates in β ladder)trans-110.9114.1174.9178.616.6000108.8R185 L189 R214 S216 L259 Y337R185-N212 PolarHBondContact NH1-OD1 3.42Å; L189-N212 HydrophobicContact CD2-CB 4.2Å; N212-R214 VanDerWaalsContact C-N 3.26Å; N212-R214 VanDerWaalsContact CG-O 3.28Å; N212-R214 PolarHBondContact ND2-O 2.67Å; N212-R214 PolarHBondContact O-N 2.94Å; N212-R214 PolarHBondContact OD1-N 3.47Å; N212-R214 VanDerWaalsContact OD1-N 3.13Å; N212-R214 PolarHBondContact OD1-O 2.93Å; N212-S216 PolarHBondContact ND2-O 2.93Å; N212-L259 HydrophobicContact CB-CD2 4.06Å; N212-L259 HydrophobicContact CB-CG 4.12Å; N212-Y337 PolarHBondContact O-OH 3.12Å
213L90.6Very high94.1Very high92 Ų9246.4 Ų46.448%0.48222%0.218SC..  trans-76.2-11.9179.7-62-179.5000113.4T188 V190 Y337T188-L213 WeakPolarHBondContact O-CB 3.49Å; T188-L213 WeakPolarHBondContact O-CG 3.42Å; T188-L213 PolarHBondContact O-N 2.89Å; V190-L213 HydrophobicContact CG1-CD1 3.58Å; V190-L213 HydrophobicContact CG1-CD2 4.48Å; V190-L213 HydrophobicContact CG1-CG 3.97Å; V190-L213 HydrophobicContact CG2-CD2 4.01Å; V190-L213 HydrophobicContact CG2-CG 4.07Å; L213-Y337 HydrophobicContact CD2-CD1 3.79Å; L213-Y337 HydrophobicContact CD2-CE1 3.63Å; L213-Y337 HydrophobicContact CD2-CE2 4.45Å; L213-Y337 HydrophobicContact CD2-CG 4.29Å
214R89Confident94.3Very high141 Ų14146.7 Ų46.753%0.53222%0.217SC..SBendtrans-102.4156.3176.6-63.2-169.6175.5-112.2-6.8111.3T188 N212T188-R214 HydrophobicContact CG2-CG 4.09Å; N212-R214 VanDerWaalsContact C-N 3.26Å; N212-R214 VanDerWaalsContact CG-O 3.28Å; N212-R214 PolarHBondContact ND2-O 2.67Å; N212-R214 PolarHBondContact O-N 2.94Å; N212-R214 PolarHBondContact OD1-N 3.47Å; N212-R214 VanDerWaalsContact OD1-N 3.13Å; N212-R214 PolarHBondContact OD1-O 2.93Å
215K85.6Confident94.4Very high207 Ų20746.3 Ų46.390%0.922%0.215SC*.SBendtrans-70.8-29.6170.7-65.3-173.2176.6-174.70113.5
216S90.8Very high94.4Very high41 Ų4147.9 Ų47.929%0.28722%0.222SC..SBendtrans-65140.3176.360.80000110.2R185 N212 E299R185-S216 PolarHBondContact NH2-O 3.31Å; R185-S216 PolarHBondContact NH2-OG 2.85Å; R185-S216 VanDerWaalsContact NH2-OG 3.15Å; N212-S216 PolarHBondContact ND2-O 2.93Å; S216-E299 WeakPolarHBondContact CA-OE2 3.2Å; S216-E299 WeakPolarHBondContact CB-OE2 3.46Å
217H90.3Very high94.3Very high69 Ų6948.3 Ų48.332%0.31922%0.224SC..  trans-75.8161-174.2-66.9-100.2000111.8R185 F258 E299R185-H217 PolarHBondContact NH2-O 2.87Å; R185-H217 VanDerWaalsContact NH2-O 3.12Å; H217-F258 AromaticContact ND1-CE2 3.97Å; H217-E299 IonicContact CD2-OE2 3.87Å; H217-E299 PolarHBondContact N-OE2 3.15Å
218L92.4Very high94.2Very high8 Ų848.5 Ų48.54%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-108.2108.1164-173.971.7000105.9L189 A221 L294 T305L189-L218 HydrophobicContact CD1-CD1 4.42Å; L189-L218 HydrophobicContact CD1-CD2 4.04Å; L189-L218 HydrophobicContact CD2-CD2 4.24Å; L218-A221 HydrophobicContact CB-CB 4.29Å; L218-A221 HydrophobicContact CD2-CB 3.69Å; L218-A221 HydrophobicContact CG-CB 3.92Å; L218-L294 HydrophobicContact CD2-CD1 4.25Å; L218-L294 HydrophobicContact CD2-CD2 4.15Å; L218-L294 HydrophobicContact CD2-CG 4.11Å; L218-T305 HydrophobicContact CD1-CG2 3.78Å
219V93.1Very high94Very high64 Ų6453.4 Ų53.439%0.38825%0.246SC..EExtended strand (participates in β ladder)trans-81.8143.6-174.2-1780000109A221 G296 M297 E299V219-A221 PolarHBondContact O-N 2.88Å; V219-G296 CarbonylContact O-C 3.54Å; V219-M297 HydrophobicContact CB-CB 4.22Å; V219-M297 HydrophobicContact CG1-CE 4.16Å; V219-M297 PolarHBondContact N-O 3.46Å; V219-M297 PolarHBondContact O-N 3.4Å; V219-E299 HydrophobicContact CG2-CB 4.36Å
220E93.1Very high93.7Very high146 Ų14655.7 Ų55.768%0.68227%0.265SS*.EExtended strand (participates in β ladder)trans49.840.8-176.5-65.7-179-178.200113.2H222 M297E220-H222 PolarHBondContact O-N 2.6Å; E220-H222 PolarHBondContact O-ND1 3.27Å; E220-H222 VanDerWaalsContact O-ND1 3.09Å; E220-M297 HydrophobicContact CB-CE 3.91Å; E220-M297 HydrophobicContact CG-CE 3.78Å; E220-M297 WeakPolarHBondContact OE2-CE 3.35Å
221A95.4Very high93.4Very high2 Ų261 Ų612%0.01728%0.284CS..EExtended strand (participates in β ladder)trans-68.4129.4179.500000110.5L218 V219 R256 I257 L294 E295L218-A221 HydrophobicContact CB-CB 4.29Å; L218-A221 HydrophobicContact CD2-CB 3.69Å; L218-A221 HydrophobicContact CG-CB 3.92Å; V219-A221 PolarHBondContact O-N 2.88Å; A221-R256 CarbonylContact O-C 3.6Å; A221-R256 WeakPolarHBondContact O-CA 3.27Å; A221-I257 HydrophobicContact CB-CG1 3.95Å; A221-I257 PolarHBondContact O-N 3.13Å; A221-L294 HydrophobicContact CB-CD1 4.5Å; A221-E295 CarbonylContact C-O 3.56Å; A221-E295 VanDerWaalsContact CA-O 3.22Å; A221-E295 WeakPolarHBondContact CA-O 3.07Å
222H96.3Very high93.3Very high59 Ų5965.2 Ų65.227%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-141.8154.6175.858.7-79.1000110.9E220 D255 R256 E295E220-H222 PolarHBondContact O-N 2.6Å; E220-H222 PolarHBondContact O-ND1 3.27Å; E220-H222 VanDerWaalsContact O-ND1 3.09Å; H222-D255 VanDerWaalsContact CA-O 3.26Å; H222-D255 WeakPolarHBondContact CA-O 3.49Å; H222-R256 HydrophobicContact CB-CG 4.36Å; H222-E295 IonicContact CD2-OE2 2.87Å; H222-E295 VanDerWaalsContact CE1-CB 3.43Å; H222-E295 WeakPolarHBondContact CE1-CB 3.47Å; H222-E295 PolarHBondContact N-O 2.66Å; H222-E295 WeakPolarHBondContact NE2-CB 3.46Å; H222-E295 IonicContact NE2-OE2 3.99Å; H222-E295 PolarHBondContact NE2-OE2 3.15Å; H222-E295 PolarHBondContact O-N 2.8Å
223V97.2Very high93.3Very high4 Ų465.8 Ų65.82%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-118147.6-174.7-69.40000111.8V248 D255 I257 I265 I293 L294V223-V248 HydrophobicContact CG2-CB 4.43Å; V223-V248 HydrophobicContact CG2-CG2 3.96Å; V223-V248 WeakPolarHBondContact O-CG2 3.21Å; V223-D255 WeakPolarHBondContact CG2-O 2.98Å; V223-D255 PolarHBondContact N-O 2.96Å; V223-D255 VanDerWaalsContact N-O 3.11Å; V223-I257 HydrophobicContact CG1-CD1 3.86Å; V223-I265 HydrophobicContact CG1-CD1 3.94Å; V223-I265 HydrophobicContact CG1-CG1 4.2Å; V223-I265 HydrophobicContact CG2-CD1 4.01Å; V223-I265 HydrophobicContact CG2-CG1 4.42Å; V223-I265 HydrophobicContact CG2-CG2 3.96Å; V223-I293 WeakPolarHBondContact CA-O 3.23Å; V223-L294 HydrophobicContact CG1-CD1 3.67Å
224R96.9Very high93.4Very high102 Ų10266.4 Ų66.439%0.38533%0.333SS..EExtended strand (participates in β ladder)trans-138.5151.4174.8-58.6174.962.2-171.20.7109.4I293 E295R224-I293 HydrophobicContact CB-CB 4.28Å; R224-I293 PolarHBondContact N-O 2.97Å; R224-I293 PolarHBondContact O-N 2.86Å; R224-E295 IonicContact NH1-OE2 3.68Å
225A97.4Very high93.7Very high0 Ų067.4 Ų67.40%034%0.344CS..EExtended strand (participates in β ladder)trans-140.7142.3176.600000110.5W208 I246 V248 V291 V292W208-A225 HydrophobicContact CH2-CB 3.58Å; W208-A225 HydrophobicContact CZ2-CB 3.81Å; A225-I246 HydrophobicContact CB-CB 3.86Å; A225-I246 HydrophobicContact CB-CD1 4.3Å; A225-I246 HydrophobicContact CB-CG2 4.24Å; A225-I246 PolarHBondContact O-N 3.32Å; A225-V248 HydrophobicContact CB-CG1 4.4Å; A225-V291 CarbonylContact C-O 3.42Å; A225-V291 WeakPolarHBondContact CA-O 3.27Å; A225-V292 HydrophobicContact CB-CG1 4.3Å
226Q96.9Very high94.1Very high38 Ų3860.2 Ų60.218%0.17833%0.328CS..EExtended strand (participates in β ladder)trans-135.5134.1-179.4-64.9-176.2-43.400109.9V244 I290 V291Q226-V244 CarbonylContact C-O 3.56Å; Q226-V244 WeakPolarHBondContact CA-O 3.35Å; Q226-I290 CarbonylContact O-C 3.5Å; Q226-I290 WeakPolarHBondContact O-CA 3.4Å; Q226-V291 PolarHBondContact N-O 3.12Å; Q226-V291 PolarHBondContact O-N 3.36Å
227L96.7Very high94.4Very high12 Ų1264.4 Ų64.46%0.06334%0.343CS..EExtended strand (participates in β ladder)trans-85123.9168.4177.862.8000109.2Q243 V244 I246 P274 F275 F288 I290L227-Q243 WeakPolarHBondContact O-CA 3.48Å; L227-V244 HydrophobicContact CB-CB 4.34Å; L227-V244 PolarHBondContact N-O 3.04Å; L227-V244 PolarHBondContact O-N 3.47Å; L227-I246 HydrophobicContact CB-CD1 4.02Å; L227-I246 HydrophobicContact CB-CG1 4.18Å; L227-P274 HydrophobicContact CD2-CB 3.66Å; L227-P274 HydrophobicContact CD2-CG 3.94Å; L227-F275 HydrophobicContact CD1-CE1 4.03Å; L227-F275 HydrophobicContact CD1-CZ 3.88Å; L227-F275 HydrophobicContact CD2-CE1 4.28Å; L227-F275 HydrophobicContact CD2-CZ 4.21Å; L227-F275 HydrophobicContact CG-CZ 4.43Å; L227-F288 HydrophobicContact CD1-CB 3.71Å; L227-F288 HydrophobicContact CD1-CD2 3.36Å; L227-F288 HydrophobicContact CD1-CE2 4.14Å; L227-F288 HydrophobicContact CD1-CG 3.68Å; L227-I290 HydrophobicContact CD1-CG1 4.22Å
228L95.1Very high94.6Very high7 Ų767 Ų674%0.03735%0.353CS..EExtended strand (participates in β ladder)trans-105.1118.1173.1-57-172.5000109.6F45 L241 D242 Q243 E289 V291F45-L228 HydrophobicContact CB-CD1 3.85Å; F45-L228 HydrophobicContact CD1-CD1 3.49Å; F45-L228 VanDerWaalsContact CD1-CD1 3.49Å; F45-L228 HydrophobicContact CE1-CD1 4.32Å; F45-L228 HydrophobicContact CG-CD1 3.88Å; L228-L241 HydrophobicContact CB-CD2 4.22Å; L228-D242 WeakPolarHBondContact CA-O 3.01Å; L228-Q243 HydrophobicContact CD2-CB 4Å; L228-Q243 HydrophobicContact CD2-CG 3.57Å; L228-E289 WeakPolarHBondContact CA-O 3.37Å; L228-E289 HydrophobicContact CB-CB 4.3Å; L228-E289 WeakPolarHBondContact CB-O 3.11Å; L228-E289 PolarHBondContact N-O 2.64Å; L228-E289 PolarHBondContact O-N 3.09Å; L228-V291 HydrophobicContact CD1-CG2 3.41Å; L228-V291 VanDerWaalsContact CD1-CG2 3.41Å; L228-V291 HydrophobicContact CG-CG2 3.94Å
229K92.8Very high94.7Very high106 Ų10668.1 Ų68.146%0.46136%0.359SS..EExtended strand (participates in β ladder)trans-151.7148.6177.9-169.6-176.2171-179.30110.5D242 F288K229-D242 PolarHBondContact N-O 3.25Å; K229-D242 WeakPolarHBondContact O-CB 3.31Å; K229-D242 PolarHBondContact O-N 2.97Å; K229-F288 HydrophobicContact CB-CB 4.21Å; K229-F288 HydrophobicContact CG-CB 4.28Å
230S91.8Very high94.5Very high64 Ų6469.3 Ų69.345%0.44837%0.368SS..EExtended strand (participates in β ladder)trans-73.2136.9167.254.90000110.2P240S230-P240 WeakPolarHBondContact CA-O 3.3Å; S230-P240 VanDerWaalsContact CB-O 3.28Å; S230-P240 WeakPolarHBondContact CB-O 3.26Å
231R90.3Very high94.5Very high110 Ų11066.3 Ų66.342%0.41536%0.356SS..EExtended strand (participates in β ladder)trans-140.6154.3173.471.7169.7170.6106.97.3111.8I239 D242R231-I239 HydrophobicContact CG-CB 4.33Å; R231-I239 HydrophobicContact CG-CD1 4.43Å; R231-I239 PolarHBondContact N-O 2.78Å; R231-I239 VanDerWaalsContact N-O 3.12Å; R231-I239 PolarHBondContact O-N 2.81Å; R231-D242 WeakPolarHBondContact CD-OD2 3.43Å; R231-D242 HydrophobicContact CG-CB 3.84Å; R231-D242 IonicContact CZ-OD1 3.71Å; R231-D242 IonicContact CZ-OD2 2.93Å; R231-D242 IonicContact NE-OD1 3.57Å; R231-D242 PolarHBondContact NE-OD1 3.05Å; R231-D242 IonicContact NE-OD2 2.68Å; R231-D242 PolarHBondContact NE-OD2 3.26Å; R231-D242 IonicContact NH2-OD1 2.7Å; R231-D242 PolarHBondContact NH2-OD1 3.4Å; R231-D242 IonicContact NH2-OD2 3.57Å; R231-D242 PolarHBondContact NH2-OD2 3.45Å
232T93.6Very high94.4Very high90 Ų9067.6 Ų67.655%0.55236%0.363SS*.EExtended strand (participates in β ladder)trans-109.4130.5166.3-520000107.8E237T232-E237 CarbonylContact C-O 3.48Å; T232-E237 VanDerWaalsContact CA-O 3.27Å; T232-E237 WeakPolarHBondContact CA-O 3.2Å
233T94.2Very high94.3Very high19 Ų1969.7 Ų69.712%0.11737%0.373CS..  trans-72167.8178.278.10000111.3E235 G236 E237 I239T233-E235 WeakPolarHBondContact CB-OE2 3.41Å; T233-E235 PolarHBondContact O-N 2.98Å; T233-E235 PolarHBondContact OG1-N 3.15Å; T233-E235 PolarHBondContact OG1-OE2 3.07Å; T233-G236 PolarHBondContact O-N 3.19Å; T233-G236 PolarHBondContact OG1-N 3.35Å; T233-E237 HydrophobicContact CG2-CB 4.02Å; T233-E237 PolarHBondContact N-O 3.11Å; T233-E237 PolarHBondContact OG1-N 2.95Å; T233-I239 HydrophobicContact CG2-CD1 3.9Å; T233-I239 HydrophobicContact CG2-CG1 4.49Å
234A93.4Very high94.2Very high105 Ų10572.2 Ų72.287%0.86839%0.388SS*.THydrogen-bonded Turntrans-63.4-28.5176.800000112.2G236A234-G236 PolarHBondContact O-N 3.09Å
235E95.4Very high94.2Very high163 Ų16371.4 Ų71.476%0.76239%0.391SS*.THydrogen-bonded Turntrans-78.9-6176.7-53.573.6-158.800112.8T233T233-E235 WeakPolarHBondContact CB-OE2 3.41Å; T233-E235 PolarHBondContact O-N 2.98Å; T233-E235 PolarHBondContact OG1-N 3.15Å; T233-E235 PolarHBondContact OG1-OE2 3.07Å
236G93.9Very high94.1Very high55 Ų5571.4 Ų71.457%0.56739%0.392SS*.SBendtrans91.59.7178.200000115.3T233 A234T233-G236 PolarHBondContact O-N 3.19Å; T233-G236 PolarHBondContact OG1-N 3.35Å; A234-G236 PolarHBondContact O-N 3.09Å
237E95.6Very high94.1Very high129 Ų12973.2 Ų73.260%0.60340%0.403SS*.  trans-75.2126.6174.3-177.6-179.2-170.500110.3T232 T233 I239T232-E237 CarbonylContact C-O 3.48Å; T232-E237 VanDerWaalsContact CA-O 3.27Å; T232-E237 WeakPolarHBondContact CA-O 3.2Å; T233-E237 HydrophobicContact CG2-CB 4.02Å; T233-E237 PolarHBondContact N-O 3.11Å; T233-E237 PolarHBondContact OG1-N 2.95Å; E237-I239 HydrophobicContact CG-CG1 4.47Å
238F94.6Very high94Very high123 Ų12373.4 Ų73.454%0.53940%0.404SS..EExtended strand (participates in β ladder)trans-91.7118.1175.5178-104.4000110.8P240F238-P240 HydrophobicContact CD1-CG 4.19Å; F238-P240 HydrophobicContact CE1-CB 4.15Å; F238-P240 HydrophobicContact CE1-CG 3.91Å
239I94.3Very high93.9Very high32 Ų3273.6 Ų73.616%0.16441%0.407CS..EExtended strand (participates in β ladder)trans-103.8110.5176.1-58.4170.6000107.9R231 T233 E237 L241 D242R231-I239 HydrophobicContact CG-CB 4.33Å; R231-I239 HydrophobicContact CG-CD1 4.43Å; R231-I239 PolarHBondContact N-O 2.78Å; R231-I239 VanDerWaalsContact N-O 3.12Å; R231-I239 PolarHBondContact O-N 2.81Å; T233-I239 HydrophobicContact CG2-CD1 3.9Å; T233-I239 HydrophobicContact CG2-CG1 4.49Å; E237-I239 HydrophobicContact CG-CG1 4.47Å; I239-L241 VanDerWaalsContact C-N 3.32Å; I239-L241 PolarHBondContact O-N 3.3Å; I239-D242 HydrophobicContact CB-CB 4.49Å; I239-D242 HydrophobicContact CG2-CB 3.85Å
240P90.6Very high93.9Very high90 Ų9075.1 Ų75.158%0.58441%0.414SS*.EExtended strand (participates in β ladder)trans-60.7-38.2-174.8-25.834000114.2S230 F238S230-P240 WeakPolarHBondContact CA-O 3.3Å; S230-P240 VanDerWaalsContact CB-O 3.28Å; S230-P240 WeakPolarHBondContact CB-O 3.26Å; F238-P240 HydrophobicContact CD1-CG 4.19Å; F238-P240 HydrophobicContact CE1-CB 4.15Å; F238-P240 HydrophobicContact CE1-CG 3.91Å
241L91.2Very high93.8Very high82 Ų8279.3 Ų79.343%0.42943%0.432SS..EExtended strand (participates in β ladder)trans-144.296.2178.1-85.3168.6000108.2F45 L228 I239F45-L241 HydrophobicContact CD2-CD1 3.64Å; F45-L241 HydrophobicContact CE2-CD1 3.9Å; F45-L241 HydrophobicContact CG-CD1 4.44Å; L228-L241 HydrophobicContact CB-CD2 4.22Å; I239-L241 VanDerWaalsContact C-N 3.32Å; I239-L241 PolarHBondContact O-N 3.3Å
242D94.3Very high93.8Very high29 Ų2978 Ų7816%0.15544%0.439CS..EExtended strand (participates in β ladder)trans-84.8142171.5-169.460.5000109.8L228 K229 R231 I239 V244L228-D242 WeakPolarHBondContact CA-O 3.01Å; K229-D242 PolarHBondContact N-O 3.25Å; K229-D242 WeakPolarHBondContact O-CB 3.31Å; K229-D242 PolarHBondContact O-N 2.97Å; R231-D242 WeakPolarHBondContact CD-OD2 3.43Å; R231-D242 HydrophobicContact CG-CB 3.84Å; R231-D242 IonicContact CZ-OD1 3.71Å; R231-D242 IonicContact CZ-OD2 2.93Å; R231-D242 IonicContact NE-OD1 3.57Å; R231-D242 PolarHBondContact NE-OD1 3.05Å; R231-D242 IonicContact NE-OD2 2.68Å; R231-D242 PolarHBondContact NE-OD2 3.26Å; R231-D242 IonicContact NH2-OD1 2.7Å; R231-D242 PolarHBondContact NH2-OD1 3.4Å; R231-D242 IonicContact NH2-OD2 3.57Å; R231-D242 PolarHBondContact NH2-OD2 3.45Å; I239-D242 HydrophobicContact CB-CB 4.49Å; I239-D242 HydrophobicContact CG2-CB 3.85Å; D242-V244 VanDerWaalsContact OD2-CG2 3.26Å; D242-V244 WeakPolarHBondContact OD2-CG2 3.26Å
243Q94.4Very high93.7Very high104 Ų10474.3 Ų74.349%0.48642%0.419SS..EExtended strand (participates in β ladder)trans-113.5105.2-178.4-47.2-170.5200108.2L227 L228L227-Q243 WeakPolarHBondContact O-CA 3.48Å; L228-Q243 HydrophobicContact CD2-CB 4Å; L228-Q243 HydrophobicContact CD2-CG 3.57Å
244V95.1Very high93.6Very high56 Ų5678 Ų7834%0.33944%0.442SS..EExtended strand (participates in β ladder)trans-103.5129.4178.5-176.20000108.5Q226 L227 D242 P274Q226-V244 CarbonylContact C-O 3.56Å; Q226-V244 WeakPolarHBondContact CA-O 3.35Å; L227-V244 HydrophobicContact CB-CB 4.34Å; L227-V244 PolarHBondContact N-O 3.04Å; L227-V244 PolarHBondContact O-N 3.47Å; D242-V244 VanDerWaalsContact OD2-CG2 3.26Å; D242-V244 WeakPolarHBondContact OD2-CG2 3.26Å; V244-P274 HydrophobicContact CG1-CB 4.4Å; V244-P274 HydrophobicContact CG1-CG 4.46Å
245D95.7Very high93.6Very high85 Ų8573.5 Ų73.546%0.45540%0.403SS..EExtended strand (participates in β ladder)trans-68.6144.1178.7-16470.8000111.2
246I96.4Very high93.6Very high1 Ų174 Ų741%0.00540%0.398CS..  trans-113.9110.4175.2-63.9168.2000106.8A225 L227 V248 H267 P274 F275 I290A225-I246 HydrophobicContact CB-CB 3.86Å; A225-I246 HydrophobicContact CB-CD1 4.3Å; A225-I246 HydrophobicContact CB-CG2 4.24Å; A225-I246 PolarHBondContact O-N 3.32Å; L227-I246 HydrophobicContact CB-CD1 4.02Å; L227-I246 HydrophobicContact CB-CG1 4.18Å; I246-V248 PolarHBondContact O-N 3.45Å; I246-H267 HydrophobicContact CG2-CB 3.8Å; I246-H267 VanDerWaalsContact CG2-ND1 3.34Å; I246-H267 WeakPolarHBondContact CG2-ND1 3.23Å; I246-P274 HydrophobicContact CG1-CG 4.39Å; I246-F275 HydrophobicContact CD1-CE2 3.7Å; I246-F275 HydrophobicContact CD1-CZ 3.98Å; I246-F275 HydrophobicContact CG1-CE2 4.01Å; I246-I290 HydrophobicContact CD1-CD1 4.36Å; I246-I290 HydrophobicContact CD1-CG1 4.29Å; I246-I290 HydrophobicContact CD1-CG2 3.68Å
247D96.1Very high93.7Very high76 Ų7672.6 Ų72.641%0.40638%0.377SS..  trans-65.8124-175.8-17931000112.1G249 F250 H267D247-G249 WeakPolarHBondContact OD1-CA 3.3Å; D247-G249 PolarHBondContact OD1-N 3.37Å; D247-F250 PolarHBondContact OD1-N 3.18Å; D247-H267 PolarHBondContact O-ND1 2.57Å
248V95.8Very high93.7Very high16 Ų1673.8 Ų73.810%0.09738%0.381CS..SBendtrans-113.718.8175.5-690000111.5W208 V223 A225 I246 D255 I265W208-V248 HydrophobicContact CH2-CG1 3.53Å; W208-V248 HydrophobicContact CZ2-CG1 3.92Å; V223-V248 HydrophobicContact CG2-CB 4.43Å; V223-V248 HydrophobicContact CG2-CG2 3.96Å; V223-V248 WeakPolarHBondContact O-CG2 3.21Å; A225-V248 HydrophobicContact CB-CG1 4.4Å; I246-V248 PolarHBondContact O-N 3.45Å; V248-D255 HydrophobicContact CG2-CB 4.14Å; V248-I265 HydrophobicContact CB-CG2 4.26Å; V248-I265 HydrophobicContact CG1-CG2 3.92Å
249G92.5Very high93.6Very high10 Ų1068.1 Ų68.110%0.10336%0.356CS..SBendtrans93.737.7-178.300000113.2D247 S252 G253 V254 D255D247-G249 WeakPolarHBondContact OD1-CA 3.3Å; D247-G249 PolarHBondContact OD1-N 3.37Å; G249-S252 PolarHBondContact O-N 3.05Å; G249-S252 PolarHBondContact O-OG 3.45Å; G249-G253 PolarHBondContact O-N 3.29Å; G249-V254 PolarHBondContact O-N 3.17Å; G249-D255 PolarHBondContact O-N 3.31Å
250F91.8Very high93.5Very high139 Ų13970.2 Ų70.261%0.6137%0.37SS*.THydrogen-bonded Turntrans-62.7-45.9178.4178.3-99.2000111.5D247 S252 G253D247-F250 PolarHBondContact OD1-N 3.18Å; F250-S252 VanDerWaalsContact C-N 3.29Å; F250-S252 PolarHBondContact O-N 3.48Å; F250-G253 WeakPolarHBondContact O-CA 3.46Å; F250-G253 PolarHBondContact O-N 3.27Å
251D90.5Very high93.7Very high151 Ų15167.7 Ų67.781%0.80735%0.354SS*.THydrogen-bonded Turntrans-66.8-30.5-177.9-66.5-35000113.2G253D251-G253 VanDerWaalsContact C-N 3.34Å
252S90.9Very high93.9Very high82 Ų8264.4 Ų64.457%0.57334%0.338SS*.THydrogen-bonded Turntrans-86.7-8.7173.956.60000112.9G249 F250 V254G249-S252 PolarHBondContact O-N 3.05Å; G249-S252 PolarHBondContact O-OG 3.45Å; F250-S252 VanDerWaalsContact C-N 3.29Å; F250-S252 PolarHBondContact O-N 3.48Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact O-N 2.84Å; S252-V254 VanDerWaalsContact OG-CG2 3.29Å; S252-V254 WeakPolarHBondContact OG-CG2 3.42Å
253G90.8Very high94.1Very high13 Ų1365.1 Ų65.113%0.13434%0.342CS..THydrogen-bonded Turntrans67.223.3-176.700000114.4G249 F250 D251 D255 R256G249-G253 PolarHBondContact O-N 3.29Å; F250-G253 WeakPolarHBondContact O-CA 3.46Å; F250-G253 PolarHBondContact O-N 3.27Å; D251-G253 VanDerWaalsContact C-N 3.34Å; G253-D255 VanDerWaalsContact C-N 3.32Å; G253-D255 VanDerWaalsContact C-OD1 3.28Å; G253-D255 VanDerWaalsContact CA-OD1 3.32Å; G253-D255 WeakPolarHBondContact CA-OD1 3.42Å; G253-R256 PolarHBondContact O-NE 3.01Å; G253-R256 PolarHBondContact O-NH2 3.45Å; G253-R256 VanDerWaalsContact O-NH2 3.09Å
254V92.4Very high94.2Very high97 Ų9761.6 Ų61.659%0.58833%0.327SS*.  trans-80.3-17.4175.8176.30000111.3G249 S252 R256G249-V254 PolarHBondContact O-N 3.17Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact O-N 2.84Å; S252-V254 VanDerWaalsContact OG-CG2 3.29Å; S252-V254 WeakPolarHBondContact OG-CG2 3.42Å; V254-R256 PolarHBondContact O-N 3.26Å
255D93.8Very high94.3Very high10 Ų1059.3 Ų59.35%0.05331%0.313CS..SBendtrans-57.8-27.6170.771.4-52000112.8H222 V223 V248 G249 G253 I257H222-D255 VanDerWaalsContact CA-O 3.26Å; H222-D255 WeakPolarHBondContact CA-O 3.49Å; V223-D255 WeakPolarHBondContact CG2-O 2.98Å; V223-D255 PolarHBondContact N-O 2.96Å; V223-D255 VanDerWaalsContact N-O 3.11Å; V248-D255 HydrophobicContact CG2-CB 4.14Å; G249-D255 PolarHBondContact O-N 3.31Å; G253-D255 VanDerWaalsContact C-N 3.32Å; G253-D255 VanDerWaalsContact C-OD1 3.28Å; G253-D255 VanDerWaalsContact CA-OD1 3.32Å; G253-D255 WeakPolarHBondContact CA-OD1 3.42Å; D255-I257 PolarHBondContact O-N 3.01Å
256R95.4Very high94.4Very high174 Ų17457.3 Ų57.366%0.65730%0.304SS*.BIsolated β-bridgetrans-77.3114.9174.7-60.2169.5-60-178.32.9110A221 H222 G253 V254A221-R256 CarbonylContact O-C 3.6Å; A221-R256 WeakPolarHBondContact O-CA 3.27Å; H222-R256 HydrophobicContact CB-CG 4.36Å; G253-R256 PolarHBondContact O-NE 3.01Å; G253-R256 PolarHBondContact O-NH2 3.45Å; G253-R256 VanDerWaalsContact O-NH2 3.09Å; V254-R256 PolarHBondContact O-N 3.26Å
257I95.6Very high94.4Very high25 Ų2557.5 Ų57.513%0.12831%0.305CS..  trans-115.7145.6-172.460.3170.7000112.5V210 A221 V223 D255 L259 I263 I265 L294V210-I257 HydrophobicContact CG2-CD1 3.99Å; A221-I257 HydrophobicContact CB-CG1 3.95Å; A221-I257 PolarHBondContact O-N 3.13Å; V223-I257 HydrophobicContact CG1-CD1 3.86Å; D255-I257 PolarHBondContact O-N 3.01Å; I257-L259 HydrophobicContact CD1-CB 4.33Å; I257-L259 HydrophobicContact CD1-CD1 4.41Å; I257-I263 HydrophobicContact CB-CD1 4.03Å; I257-I263 HydrophobicContact CD1-CD1 4.5Å; I257-I265 HydrophobicContact CD1-CD1 4.21Å; I257-I265 HydrophobicContact CG2-CD1 4.26Å; I257-L294 HydrophobicContact CD1-CD1 3.97Å
258F94.6Very high94.4Very high155 Ų15557.8 Ų57.868%0.6830%0.303SS*.  trans-96.588.2169.1-179-120.3000110.6H217 V260 I263H217-F258 AromaticContact ND1-CE2 3.97Å; F258-V260 HydrophobicContact CD1-CG2 3.89Å; F258-V260 HydrophobicContact CD2-CG2 4.44Å; F258-V260 HydrophobicContact CE1-CB 4.37Å; F258-V260 HydrophobicContact CE1-CG2 3.3Å; F258-V260 HydrophobicContact CE2-CG2 3.92Å; F258-V260 HydrophobicContact CG-CG2 4.44Å; F258-V260 HydrophobicContact CZ-CG2 3.32Å; F258-V260 PolarHBondContact O-N 3.41Å; F258-V260 VanDerWaalsContact O-N 3.08Å; F258-I263 WeakPolarHBondContact O-CD1 3.35Å
259L94.3Very high94.4Very high3 Ų357.7 Ų57.72%0.01630%0.302CS..  trans-83.283.6-169.9-171.165.4000113.4L189 V210 N212 I257 I263 L294L189-L259 HydrophobicContact CD2-CD2 4.24Å; V210-L259 HydrophobicContact CG2-CD1 3.95Å; N212-L259 HydrophobicContact CB-CD2 4.06Å; N212-L259 HydrophobicContact CB-CG 4.12Å; I257-L259 HydrophobicContact CD1-CB 4.33Å; I257-L259 HydrophobicContact CD1-CD1 4.41Å; L259-I263 HydrophobicContact CD1-CB 4.36Å; L259-I263 HydrophobicContact CD1-CD1 4.13Å; L259-I263 HydrophobicContact CD1-CG1 4.1Å; L259-L294 HydrophobicContact CD2-CD2 3.99Å
260V92Very high94.4Very high76 Ų7659.2 Ų59.246%0.46131%0.311SS..SBendtrans-101.9-59.8171177.90000111.4F258F258-V260 HydrophobicContact CD1-CG2 3.89Å; F258-V260 HydrophobicContact CD2-CG2 4.44Å; F258-V260 HydrophobicContact CE1-CB 4.37Å; F258-V260 HydrophobicContact CE1-CG2 3.3Å; F258-V260 HydrophobicContact CE2-CG2 3.92Å; F258-V260 HydrophobicContact CG-CG2 4.44Å; F258-V260 HydrophobicContact CZ-CG2 3.32Å; F258-V260 PolarHBondContact O-N 3.41Å; F258-V260 VanDerWaalsContact O-N 3.08Å
261S93.9Very high94.5Very high37 Ų3759.5 Ų59.526%0.25931%0.314SS..SBendtrans-94.5161.1168.956.70000110.4I263S261-I263 WeakPolarHBondContact O-CG1 2.96Å; S261-I263 PolarHBondContact O-N 3.29Å
262P96.5Very high94.5Very high13 Ų1359.7 Ų59.78%0.08432%0.315CS..  trans-51.1125.8172.4-32.639.5000113.4R209 V210 V325 V335 Y337 F340R209-P262 HydrophobicContact CG-CB 4.24Å; V210-P262 CarbonylContact O-C 3.59Å; V210-P262 VanDerWaalsContact O-CA 3.22Å; V210-P262 WeakPolarHBondContact O-CA 3.08Å; P262-V325 HydrophobicContact CB-CG2 3.89Å; P262-V325 HydrophobicContact CG-CG2 3.9Å; P262-V335 HydrophobicContact CG-CG1 3.9Å; P262-Y337 HydrophobicContact CG-CE1 3.78Å; P262-F340 HydrophobicContact CB-CD2 3.85Å; P262-F340 HydrophobicContact CB-CE2 3.71Å; P262-F340 HydrophobicContact CG-CD2 3.76Å; P262-F340 HydrophobicContact CG-CE2 3.91Å
263I96.8Very high94.7Very high45 Ų4556.2 Ų56.223%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-106.8137178.6-62.4175.8000108.6R209 V210 I257 F258 L259 S261 I265R209-I263 WeakPolarHBondContact CA-O 3.49Å; R209-I263 WeakPolarHBondContact CG-O 3.37Å; V210-I263 HydrophobicContact CG2-CB 4.28Å; V210-I263 PolarHBondContact N-O 3.13Å; V210-I263 PolarHBondContact O-N 2.86Å; I257-I263 HydrophobicContact CB-CD1 4.03Å; I257-I263 HydrophobicContact CD1-CD1 4.5Å; F258-I263 WeakPolarHBondContact O-CD1 3.35Å; L259-I263 HydrophobicContact CD1-CB 4.36Å; L259-I263 HydrophobicContact CD1-CD1 4.13Å; L259-I263 HydrophobicContact CD1-CG1 4.1Å; S261-I263 WeakPolarHBondContact O-CG1 2.96Å; S261-I263 PolarHBondContact O-N 3.29Å; I263-I265 HydrophobicContact CG2-CD1 4Å
264T97.3Very high94.8Very high29 Ų2958 Ų5818%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-89.6112.1168.1-60.50000108.3M207 W208 F322M207-T264 HydrophobicContact CB-CG2 3.76Å; M207-T264 HydrophobicContact CG-CG2 4.14Å; M207-T264 HydrophobicContact SD-CG2 4.2Å; W208-T264 CarbonylContact O-C 3.49Å; W208-T264 WeakPolarHBondContact O-CA 3.3Å; T264-F322 HydrophobicContact CG2-CD2 4.03Å; T264-F322 HydrophobicContact CG2-CE2 4.35Å
265I97.6Very high94.9Very high9 Ų953.9 Ų53.95%0.04628%0.275CS..EExtended strand (participates in β ladder)trans-73.8140.6172.5-50.4-53.6000108.2M207 W208 V210 V223 V248 I257 I263M207-I265 VanDerWaalsContact CA-O 3.23Å; M207-I265 WeakPolarHBondContact CA-O 3.41Å; W208-I265 HydrophobicContact CD2-CB 4.09Å; W208-I265 HydrophobicContact CD2-CG2 4.41Å; W208-I265 HydrophobicContact CG-CB 4.42Å; W208-I265 HydrophobicContact CH2-CG2 3.9Å; W208-I265 HydrophobicContact CZ2-CB 3.92Å; W208-I265 HydrophobicContact CZ2-CG2 3.37Å; W208-I265 PolarHBondContact N-O 3.33Å; W208-I265 PolarHBondContact O-N 3.42Å; V210-I265 HydrophobicContact CG1-CG1 4.15Å; V210-I265 HydrophobicContact CG2-CD1 3.84Å; V210-I265 HydrophobicContact CG2-CG1 3.96Å; V223-I265 HydrophobicContact CG1-CD1 3.94Å; V223-I265 HydrophobicContact CG1-CG1 4.2Å; V223-I265 HydrophobicContact CG2-CD1 4.01Å; V223-I265 HydrophobicContact CG2-CG1 4.42Å; V223-I265 HydrophobicContact CG2-CG2 3.96Å; V248-I265 HydrophobicContact CB-CG2 4.26Å; V248-I265 HydrophobicContact CG1-CG2 3.92Å; I257-I265 HydrophobicContact CD1-CD1 4.21Å; I257-I265 HydrophobicContact CG2-CD1 4.26Å; I263-I265 HydrophobicContact CG2-CD1 4Å
266V96.9Very high95Very high43 Ų4355.1 Ų55.126%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-127.6124.9-173.5-171.80000108.2C205 M207C205-V266 HydrophobicContact CB-CG1 3.61Å; M207-V266 HydrophobicContact CG-CG1 4.29Å; M207-V266 HydrophobicContact CG-CG2 4.25Å
267H97.2Very high94.9Very high5 Ų551 Ų512%0.02327%0.27CS..EExtended strand (participates in β ladder)trans-106.2120.9162.8167.663.4000107.8C205 L206 W208 I246 D247 S273 F275C205-H267 CarbonylContact C-O 3.55Å; C205-H267 WeakPolarHBondContact CA-O 3.33Å; C205-H267 WeakPolarHBondContact CB-O 3.43Å; L206-H267 HydrophobicContact CB-CB 4.26Å; L206-H267 PolarHBondContact N-O 3.33Å; L206-H267 PolarHBondContact O-N 2.84Å; W208-H267 HydrophobicContact CZ3-CB 4.32Å; I246-H267 HydrophobicContact CG2-CB 3.8Å; I246-H267 VanDerWaalsContact CG2-ND1 3.34Å; I246-H267 WeakPolarHBondContact CG2-ND1 3.23Å; D247-H267 PolarHBondContact O-ND1 2.57Å; H267-S273 PolarHBondContact CE1-OG 2.99Å; H267-S273 PolarHBondContact NE2-OG 3.45Å; H267-F275 AromaticContact NE2-CD2 3.89Å
268E95.9Very high94.7Very high81 Ų8151.2 Ų51.238%0.37927%0.271SS..EExtended strand (participates in β ladder)trans-76.3125.5172.1-179.5178.7148.800109.4K203 S270K203-E268 HydrophobicContact CB-CG 4.39Å; K203-E268 HydrophobicContact CD-CG 3.85Å; K203-E268 WeakPolarHBondContact CD-OE1 3.48Å; K203-E268 VanDerWaalsContact CD-OE2 3.23Å; K203-E268 WeakPolarHBondContact CD-OE2 3.39Å; K203-E268 WeakPolarHBondContact CE-OE1 3.41Å; K203-E268 IonicContact NZ-OE1 2.69Å; K203-E268 PolarHBondContact NZ-OE1 2.87Å; K203-E268 IonicContact NZ-OE2 2.7Å; K203-E268 PolarHBondContact NZ-OE2 2.96Å; E268-S270 VanDerWaalsContact C-N 3.28Å; E268-S270 PolarHBondContact O-N 3.12Å
269I96.1Very high94.7Very high14 Ų1444.7 Ų44.77%0.07224%0.244CC..  trans-83.281175.4-54.3177.1000107.8V197 L204 F275 A354V197-I269 HydrophobicContact CG1-CD1 4.33Å; L204-I269 HydrophobicContact CD2-CD1 4.1Å; L204-I269 HydrophobicContact CG-CD1 4.13Å; L204-I269 WeakPolarHBondContact O-CB 3.39Å; L204-I269 PolarHBondContact O-N 3.18Å; I269-F275 HydrophobicContact CD1-CB 4.17Å; I269-F275 HydrophobicContact CG1-CB 4.34Å; I269-F275 HydrophobicContact CG2-CB 3.94Å; I269-F275 WeakPolarHBondContact CG2-O 3.29Å; I269-A354 HydrophobicContact CB-CB 4.19Å; I269-A354 HydrophobicContact CG2-CB 3.58Å
270S92.3Very high94.7Very high42 Ų4247.8 Ų47.829%0.29426%0.258SS..  trans-90.1-178.3174.463.10000111.8E268 D272 S273 Y276E268-S270 VanDerWaalsContact C-N 3.28Å; E268-S270 PolarHBondContact O-N 3.12Å; S270-D272 PolarHBondContact O-N 2.59Å; S270-S273 WeakPolarHBondContact O-CB 3.33Å; S270-S273 PolarHBondContact O-N 2.9Å; S270-Y276 VanDerWaalsContact C-CD2 3.47Å; S270-Y276 WeakPolarHBondContact O-CB 3.47Å; S270-Y276 WeakPolarHBondContact O-CD2 3.3Å
271E93.1Very high94.7Very high145 Ų14551.4 Ų51.468%0.67827%0.27SS*.THydrogen-bonded Turntrans-58.6-32.7178.2-67.8178.1-172.100113.3S273 Y276E271-S273 VanDerWaalsContact C-N 3.29Å; E271-S273 PolarHBondContact O-N 3.04Å; E271-Y276 HydrophobicContact CB-CE1 4.43Å; E271-Y276 HydrophobicContact CG-CE1 3.98Å; E271-Y276 HydrophobicContact CG-CE2 3.92Å
272D91.9Very high94.6Very high155 Ų15554 Ų5483%0.82928%0.277SS*.THydrogen-bonded Turntrans-81.5-8.9178.5-57.4-51000112.9S270S270-D272 PolarHBondContact O-N 2.59Å
273S94.4Very high94.4Very high9 Ų953.7 Ų53.76%0.06328%0.275CS..SBendtrans-73.3138.4-178.9177.30000111.5H267 S270 E271 F275 Y276H267-S273 PolarHBondContact CE1-OG 2.99Å; H267-S273 PolarHBondContact NE2-OG 3.45Å; S270-S273 WeakPolarHBondContact O-CB 3.33Å; S270-S273 PolarHBondContact O-N 2.9Å; E271-S273 VanDerWaalsContact C-N 3.29Å; E271-S273 PolarHBondContact O-N 3.04Å; S273-F275 PolarHBondContact O-N 3.21Å; S273-F275 PolarHBondContact OG-N 3.39Å; S273-F275 VanDerWaalsContact OG-N 3.16Å; S273-Y276 WeakPolarHBondContact O-CB 3.28Å; S273-Y276 PolarHBondContact O-N 3.31Å; S273-Y276 VanDerWaalsContact O-N 3.07Å
274P93.5Very high94.1Very high52 Ų5258 Ų5834%0.33830%0.295SS..THydrogen-bonded Turntrans-64.9-10172.629.4-36.2000113.3L227 V244 I246L227-P274 HydrophobicContact CD2-CB 3.66Å; L227-P274 HydrophobicContact CD2-CG 3.94Å; V244-P274 HydrophobicContact CG1-CB 4.4Å; V244-P274 HydrophobicContact CG1-CG 4.46Å; I246-P274 HydrophobicContact CG1-CG 4.39Å
275F94.6Very high93.8Very high10 Ų1062.1 Ų62.14%0.04432%0.32CS..THydrogen-bonded Turntrans-99.65.3177.7-54.5-70.9000113.5L206 L227 I246 H267 I269 S273 D277 M278 F288 I290L206-F275 HydrophobicContact CD2-CE2 4.08Å; L227-F275 HydrophobicContact CD1-CE1 4.03Å; L227-F275 HydrophobicContact CD1-CZ 3.88Å; L227-F275 HydrophobicContact CD2-CE1 4.28Å; L227-F275 HydrophobicContact CD2-CZ 4.21Å; L227-F275 HydrophobicContact CG-CZ 4.43Å; I246-F275 HydrophobicContact CD1-CE2 3.7Å; I246-F275 HydrophobicContact CD1-CZ 3.98Å; I246-F275 HydrophobicContact CG1-CE2 4.01Å; H267-F275 AromaticContact NE2-CD2 3.89Å; I269-F275 HydrophobicContact CD1-CB 4.17Å; I269-F275 HydrophobicContact CG1-CB 4.34Å; I269-F275 HydrophobicContact CG2-CB 3.94Å; I269-F275 WeakPolarHBondContact CG2-O 3.29Å; S273-F275 PolarHBondContact O-N 3.21Å; S273-F275 PolarHBondContact OG-N 3.39Å; S273-F275 VanDerWaalsContact OG-N 3.16Å; F275-D277 PolarHBondContact O-N 3.25Å; F275-M278 HydrophobicContact CB-CB 4.41Å; F275-M278 HydrophobicContact CD1-CE 3.74Å; F275-M278 HydrophobicContact CD1-SD 3.82Å; F275-M278 HydrophobicContact CE1-CE 4.25Å; F275-M278 HydrophobicContact CE1-SD 4.47Å; F275-M278 VanDerWaalsContact O-CB 3.29Å; F275-M278 WeakPolarHBondContact O-CB 3.34Å; F275-M278 PolarHBondContact O-N 3.02Å; F275-F288 HydrophobicContact CD1-CZ 4.46Å; F275-F288 HydrophobicContact CE1-CD2 4.37Å; F275-F288 HydrophobicContact CE1-CE1 4.48Å; F275-F288 AromaticContact CE1-CE2 3.75Å; F275-F288 HydrophobicContact CE1-CE2 3.75Å; F275-F288 AromaticContact CE1-CZ 3.8Å; F275-F288 HydrophobicContact CE1-CZ 3.8Å; F275-F288 HydrophobicContact CZ-CE2 4.35Å; F275-I290 HydrophobicContact CE1-CD1 4.11Å; F275-I290 HydrophobicContact CE2-CD1 4.12Å; F275-I290 HydrophobicContact CZ-CD1 3.42Å; F275-I290 VanDerWaalsContact CZ-CD1 3.42Å; F275-I290 HydrophobicContact CZ-CG1 3.94Å
276Y94.7Very high93.5Very high36 Ų3663.1 Ų63.114%0.14133%0.327CS..THydrogen-bonded Turntrans-57.3-44.6-172.5-172.6-123.1000113.9S270 E271 S273 M278 A354 R355 A358S270-Y276 VanDerWaalsContact C-CD2 3.47Å; S270-Y276 WeakPolarHBondContact O-CB 3.47Å; S270-Y276 WeakPolarHBondContact O-CD2 3.3Å; E271-Y276 HydrophobicContact CB-CE1 4.43Å; E271-Y276 HydrophobicContact CG-CE1 3.98Å; E271-Y276 HydrophobicContact CG-CE2 3.92Å; S273-Y276 WeakPolarHBondContact O-CB 3.28Å; S273-Y276 PolarHBondContact O-N 3.31Å; S273-Y276 VanDerWaalsContact O-N 3.07Å; Y276-M278 VanDerWaalsContact C-N 3.29Å; Y276-M278 PolarHBondContact O-N 3.27Å; Y276-A354 HydrophobicContact CD2-CB 3.8Å; Y276-A354 HydrophobicContact CE2-CB 4.11Å; Y276-A354 PolarHBondContact O-N 3.47Å; Y276-R355 HydrophobicContact CD1-CB 3.88Å; Y276-R355 HydrophobicContact CD1-CG 4.4Å; Y276-R355 HydrophobicContact CE1-CB 3.55Å; Y276-R355 HydrophobicContact CE1-CG 3.76Å; Y276-R355 HydrophobicContact CE2-CB 4.23Å; Y276-R355 HydrophobicContact CG-CB 4.37Å; Y276-R355 PolarHBondContact O-N 3.42Å; Y276-R355 VanDerWaalsContact O-N 3.08Å; Y276-A358 WeakPolarHBondContact OH-CB 3.43Å
277D92.9Very high93.2Very high87 Ų8767.4 Ų67.447%0.46535%0.345SS..THydrogen-bonded Turntrans-83.72.2178.2-67.1-50.8000113.5F275 Q282 S353 R355F275-D277 PolarHBondContact O-N 3.25Å; D277-Q282 PolarHBondContact O-OE1 2.87Å; D277-S353 VanDerWaalsContact C-CB 3.48Å; D277-R355 WeakPolarHBondContact OD1-CD 3.3Å; D277-R355 IonicContact OD1-CZ 3.8Å; D277-R355 IonicContact OD1-NE 3.8Å; D277-R355 IonicContact OD1-NH1 3.47Å; D277-R355 PolarHBondContact OD1-NH1 3.44Å
278M93.1Very high93.1Very high29 Ų2967.7 Ų67.714%0.14335%0.346CS..  trans-89.4120-171-167.9173.3-66.600112.6F275 Y276 Q282 L283 F288 W318 S353F275-M278 HydrophobicContact CB-CB 4.41Å; F275-M278 HydrophobicContact CD1-CE 3.74Å; F275-M278 HydrophobicContact CD1-SD 3.82Å; F275-M278 HydrophobicContact CE1-CE 4.25Å; F275-M278 HydrophobicContact CE1-SD 4.47Å; F275-M278 VanDerWaalsContact O-CB 3.29Å; F275-M278 WeakPolarHBondContact O-CB 3.34Å; F275-M278 PolarHBondContact O-N 3.02Å; Y276-M278 VanDerWaalsContact C-N 3.29Å; Y276-M278 PolarHBondContact O-N 3.27Å; M278-Q282 HydrophobicContact CG-CB 4.28Å; M278-L283 HydrophobicContact CG-CB 4.48Å; M278-L283 HydrophobicContact SD-CB 4.27Å; M278-L283 HydrophobicContact SD-CD1 3.89Å; M278-F288 HydrophobicContact CE-CD1 4.17Å; M278-F288 HydrophobicContact CE-CE1 3.48Å; M278-F288 VanDerWaalsContact CE-CE1 3.48Å; M278-F288 HydrophobicContact CE-CZ 4.06Å; M278-F288 HydrophobicContact SD-CE1 3.71Å; M278-F288 HydrophobicContact SD-CZ 3.89Å; M278-W318 WeakPolarHBondContact O-CH2 3.1Å; M278-S353 WeakPolarHBondContact O-CA 3.45Å
279S94.6Very high93.1Very high18 Ų1864.4 Ų64.413%0.12633%0.33CS..  trans-94.8170171.664.90000112.7Q281 Q282 L283S279-Q281 VanDerWaalsContact C-N 3.32Å; S279-Q281 PolarHBondContact O-N 2.94Å; S279-Q282 PolarHBondContact O-N 3.38Å; S279-Q282 WeakPolarHBondContact OG-CG 3.29Å; S279-Q282 PolarHBondContact OG-N 3.27Å; S279-Q282 PolarHBondContact OG-OE1 3.07Å; S279-L283 PolarHBondContact O-N 3.39Å
280K93.5Very high93.1Very high68 Ų6863.8 Ų63.830%0.29633%0.327SS..Hα-helixtrans-55.7-44.8175.7-178.8179.1177.2179.90112.8Q282 L283 E284 W318 L351K280-Q282 VanDerWaalsContact C-N 3.33Å; K280-Q282 PolarHBondContact O-N 3.42Å; K280-L283 WeakPolarHBondContact O-CB 3.15Å; K280-L283 PolarHBondContact O-N 3.44Å; K280-E284 WeakPolarHBondContact CE-OE1 3.32Å; K280-E284 PolarHBondContact O-N 2.82Å; K280-W318 HydrophobicContact CB-CB 4.42Å; K280-W318 HydrophobicContact CB-CD2 3.75Å; K280-W318 HydrophobicContact CB-CE3 4.22Å; K280-W318 HydrophobicContact CB-CG 3.82Å; K280-W318 HydrophobicContact CD-CB 4.11Å; K280-W318 HydrophobicContact CD-CG 4.02Å; K280-W318 HydrophobicContact CG-CB 3.87Å; K280-W318 HydrophobicContact CG-CD2 4.2Å; K280-W318 HydrophobicContact CG-CG 3.77Å; K280-L351 HydrophobicContact CB-CB 4.49Å; K280-L351 HydrophobicContact CD-CD2 3.7Å; K280-L351 PolarHBondContact N-O 2.85Å; K280-L351 VanDerWaalsContact N-O 3.16Å
281Q92.8Very high93.4Very high153 Ų15362.1 Ų62.172%0.71532%0.315SS*.Hα-helixtrans-67.4-36.2-178.8-68.4179.6-11.200111.9S279 T285S279-Q281 VanDerWaalsContact C-N 3.32Å; S279-Q281 PolarHBondContact O-N 2.94Å; Q281-T285 PolarHBondContact O-N 3.29Å; Q281-T285 PolarHBondContact O-OG1 3.11Å; Q281-T285 VanDerWaalsContact O-OG1 3.14Å
282Q91.9Very high93.6Very high90 Ų9055.2 Ų55.242%0.42128%0.283SS..Hα-helixtrans-69.3-37.8174.8-74.3164.4-43.500111.3D277 M278 S279 K280 E284 T285 S286D277-Q282 PolarHBondContact O-OE1 2.87Å; M278-Q282 HydrophobicContact CG-CB 4.28Å; S279-Q282 PolarHBondContact O-N 3.38Å; S279-Q282 WeakPolarHBondContact OG-CG 3.29Å; S279-Q282 PolarHBondContact OG-N 3.27Å; S279-Q282 PolarHBondContact OG-OE1 3.07Å; K280-Q282 VanDerWaalsContact C-N 3.33Å; K280-Q282 PolarHBondContact O-N 3.42Å; Q282-E284 VanDerWaalsContact C-N 3.3Å; Q282-E284 PolarHBondContact O-N 3.34Å; Q282-T285 PolarHBondContact O-N 2.76Å; Q282-T285 PolarHBondContact O-OG1 3.31Å; Q282-S286 WeakPolarHBondContact O-CB 3.31Å; Q282-S286 PolarHBondContact O-N 3.08Å; Q282-S286 PolarHBondContact O-OG 3.39Å
283L92.5Very high93.8Very high8 Ų848.5 Ų48.54%0.04225%0.247CC..Hα-helixtrans-57.9-43.4176179.165.4000111.7M278 S279 K280 T285 S286 F288 A313 I316 W318M278-L283 HydrophobicContact CG-CB 4.48Å; M278-L283 HydrophobicContact SD-CB 4.27Å; M278-L283 HydrophobicContact SD-CD1 3.89Å; S279-L283 PolarHBondContact O-N 3.39Å; K280-L283 WeakPolarHBondContact O-CB 3.15Å; K280-L283 PolarHBondContact O-N 3.44Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 3.24Å; L283-S286 PolarHBondContact O-N 2.96Å; L283-F288 HydrophobicContact CD1-CE1 3.97Å; L283-F288 HydrophobicContact CD1-CZ 3.47Å; L283-F288 VanDerWaalsContact CD1-CZ 3.47Å; L283-A313 HydrophobicContact CD1-CB 4.26Å; L283-I316 HydrophobicContact CD1-CB 4.34Å; L283-I316 HydrophobicContact CD1-CD1 4.19Å; L283-I316 HydrophobicContact CD2-CB 4.07Å; L283-I316 HydrophobicContact CD2-CG2 3.86Å; L283-W318 HydrophobicContact CD2-CB 4.46Å; L283-W318 HydrophobicContact CD2-CE3 3.84Å
284E90.4Very high93.9Very high136 Ų13648.2 Ų48.264%0.63624%0.244SC*.Hα-helixtrans-66-26.5-180-69.9173-17400113.5K280 Q282K280-E284 WeakPolarHBondContact CE-OE1 3.32Å; K280-E284 PolarHBondContact O-N 2.82Å; Q282-E284 VanDerWaalsContact C-N 3.3Å; Q282-E284 PolarHBondContact O-N 3.34Å
285T90.7Very high93.9Very high115 Ų11547.6 Ų47.671%0.70624%0.237SC*.Hα-helixtrans-101-11.2-179.454.10000113.7Q281 Q282 L283Q281-T285 PolarHBondContact O-N 3.29Å; Q281-T285 PolarHBondContact O-OG1 3.11Å; Q281-T285 VanDerWaalsContact O-OG1 3.14Å; Q282-T285 PolarHBondContact O-N 2.76Å; Q282-T285 PolarHBondContact O-OG1 3.31Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 3.24Å
286S90Very high93.9Very high29 Ų2947.3 Ų47.320%0.20324%0.237CC..  trans-79.6146.1-175.2-70.30000112.7Q282 L283 A313Q282-S286 WeakPolarHBondContact O-CB 3.31Å; Q282-S286 PolarHBondContact O-N 3.08Å; Q282-S286 PolarHBondContact O-OG 3.39Å; L283-S286 PolarHBondContact O-N 2.96Å; S286-A313 VanDerWaalsContact O-CB 3.3Å; S286-A313 WeakPolarHBondContact O-CB 3.3Å
287E91.5Very high93.8Very high134 Ų13447.4 Ų47.463%0.62624%0.239SC*.  trans-111.3101.4173.7-51-156.4121.400109.4Q42Q42-E287 PolarHBondContact NE2-OE1 2.95Å
288F93.9Very high93.7Very high11 Ų1144.1 Ų44.15%0.04822%0.222CC..  trans-156165.6172.164-98.5000110.7L227 K229 F275 M278 L283 I290 A313 I316L227-F288 HydrophobicContact CD1-CB 3.71Å; L227-F288 HydrophobicContact CD1-CD2 3.36Å; L227-F288 HydrophobicContact CD1-CE2 4.14Å; L227-F288 HydrophobicContact CD1-CG 3.68Å; K229-F288 HydrophobicContact CB-CB 4.21Å; K229-F288 HydrophobicContact CG-CB 4.28Å; F275-F288 HydrophobicContact CD1-CZ 4.46Å; F275-F288 HydrophobicContact CE1-CD2 4.37Å; F275-F288 HydrophobicContact CE1-CE1 4.48Å; F275-F288 AromaticContact CE1-CE2 3.75Å; F275-F288 HydrophobicContact CE1-CE2 3.75Å; F275-F288 AromaticContact CE1-CZ 3.8Å; F275-F288 HydrophobicContact CE1-CZ 3.8Å; F275-F288 HydrophobicContact CZ-CE2 4.35Å; M278-F288 HydrophobicContact CE-CD1 4.17Å; M278-F288 HydrophobicContact CE-CE1 3.48Å; M278-F288 VanDerWaalsContact CE-CE1 3.48Å; M278-F288 HydrophobicContact CE-CZ 4.06Å; M278-F288 HydrophobicContact SD-CE1 3.71Å; M278-F288 HydrophobicContact SD-CZ 3.89Å; L283-F288 HydrophobicContact CD1-CE1 3.97Å; L283-F288 HydrophobicContact CD1-CZ 3.47Å; L283-F288 VanDerWaalsContact CD1-CZ 3.47Å; F288-I290 HydrophobicContact CD2-CG1 4.02Å; F288-I290 HydrophobicContact CE2-CD1 3.97Å; F288-I290 HydrophobicContact CE2-CG1 3.84Å; F288-A313 HydrophobicContact CD1-CB 4.21Å; F288-A313 HydrophobicContact CE1-CB 3.89Å; F288-A313 HydrophobicContact CE2-CB 4.28Å; F288-A313 HydrophobicContact CZ-CB 3.94Å; F288-A313 PolarHBondContact O-N 3.24Å; F288-I316 HydrophobicContact CE2-CD1 3.73Å; F288-I316 HydrophobicContact CZ-CD1 4.06Å
289E96.1Very high93.5Very high11 Ų1147.7 Ų47.75%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-128.3132.2175.7178.7177.1179.100110R44 F45 V46 L228 V291 S310 L312R44-E289 WeakPolarHBondContact CG-OE1 3.24Å; F45-E289 WeakPolarHBondContact CB-OE2 3.21Å; F45-E289 PolarHBondContact N-OE2 3.3Å; V46-E289 PolarHBondContact N-OE1 3.35Å; L228-E289 WeakPolarHBondContact CA-O 3.37Å; L228-E289 HydrophobicContact CB-CB 4.3Å; L228-E289 WeakPolarHBondContact CB-O 3.11Å; L228-E289 PolarHBondContact N-O 2.64Å; L228-E289 PolarHBondContact O-N 3.09Å; E289-V291 HydrophobicContact CG-CG2 4.34Å; E289-S310 WeakPolarHBondContact OE1-CB 3.4Å; E289-S310 PolarHBondContact OE1-OG 3.33Å; E289-L312 HydrophobicContact CB-CD2 4.06Å; E289-L312 HydrophobicContact CG-CD2 4.13Å
290I97.2Very high93.2Very high1 Ų151.4 Ų51.41%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-98.7116.5171.8-58.1-177.7000108L206 Q226 L227 I246 F275 F288 V292 S310 Y311 I316L206-I290 HydrophobicContact CD2-CD1 3.49Å; L206-I290 VanDerWaalsContact CD2-CD1 3.49Å; Q226-I290 CarbonylContact O-C 3.5Å; Q226-I290 WeakPolarHBondContact O-CA 3.4Å; L227-I290 HydrophobicContact CD1-CG1 4.22Å; I246-I290 HydrophobicContact CD1-CD1 4.36Å; I246-I290 HydrophobicContact CD1-CG1 4.29Å; I246-I290 HydrophobicContact CD1-CG2 3.68Å; F275-I290 HydrophobicContact CE1-CD1 4.11Å; F275-I290 HydrophobicContact CE2-CD1 4.12Å; F275-I290 HydrophobicContact CZ-CD1 3.42Å; F275-I290 VanDerWaalsContact CZ-CD1 3.42Å; F275-I290 HydrophobicContact CZ-CG1 3.94Å; F288-I290 HydrophobicContact CD2-CG1 4.02Å; F288-I290 HydrophobicContact CE2-CD1 3.97Å; F288-I290 HydrophobicContact CE2-CG1 3.84Å; I290-V292 HydrophobicContact CG2-CG1 4.15Å; I290-S310 CarbonylContact O-C 3.51Å; I290-S310 WeakPolarHBondContact O-CA 3.36Å; I290-S310 WeakPolarHBondContact O-CB 3.29Å; I290-Y311 PolarHBondContact N-O 2.85Å; I290-Y311 PolarHBondContact O-N 3.47Å; I290-I316 HydrophobicContact CD1-CD1 3.6Å; I290-I316 HydrophobicContact CG1-CD1 4.34Å
291V97.6Very high92.9Very high7 Ų751.1 Ų51.14%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-93.4127.5172.3177.90000108.9V46 A225 Q226 L228 E289 I293V46-V291 HydrophobicContact CB-CG2 4.22Å; V46-V291 HydrophobicContact CG2-CG1 4.1Å; V46-V291 HydrophobicContact CG2-CG2 3.82Å; A225-V291 CarbonylContact C-O 3.42Å; A225-V291 WeakPolarHBondContact CA-O 3.27Å; Q226-V291 PolarHBondContact N-O 3.12Å; Q226-V291 PolarHBondContact O-N 3.36Å; L228-V291 HydrophobicContact CD1-CG2 3.41Å; L228-V291 VanDerWaalsContact CD1-CG2 3.41Å; L228-V291 HydrophobicContact CG-CG2 3.94Å; E289-V291 HydrophobicContact CG-CG2 4.34Å; V291-I293 HydrophobicContact CG1-CG1 4.19Å
292V97.6Very high92.8Very high0 Ų047.2 Ų47.20%027%0.268CS..EExtended strand (participates in β ladder)trans-112.2139.5176.4-63.20000109.7F191 W208 A225 I290 R308 S309 Y311F191-V292 HydrophobicContact CD1-CG2 3.62Å; F191-V292 HydrophobicContact CE1-CB 4.24Å; F191-V292 HydrophobicContact CE1-CG2 3.62Å; F191-V292 HydrophobicContact CG-CG2 4.37Å; F191-V292 HydrophobicContact CZ-CG2 4.36Å; W208-V292 HydrophobicContact CD2-CG1 3.9Å; W208-V292 HydrophobicContact CE3-CG1 4.44Å; W208-V292 HydrophobicContact CG-CG1 4.28Å; W208-V292 HydrophobicContact CH2-CG1 4.38Å; W208-V292 HydrophobicContact CZ2-CG1 3.82Å; A225-V292 HydrophobicContact CB-CG1 4.3Å; I290-V292 HydrophobicContact CG2-CG1 4.15Å; V292-R308 VanDerWaalsContact O-CA 3.29Å; V292-R308 WeakPolarHBondContact O-CA 3.5Å; V292-S309 PolarHBondContact N-O 3.47Å; V292-S309 PolarHBondContact O-N 3Å; V292-Y311 HydrophobicContact CB-CE2 4.45Å; V292-Y311 HydrophobicContact CG1-CD2 4.08Å; V292-Y311 HydrophobicContact CG1-CE2 3.86Å; V292-Y311 HydrophobicContact CG2-CD2 4.37Å; V292-Y311 HydrophobicContact CG2-CE2 3.7Å
293I96.9Very high92.8Very high15 Ų1546 Ų468%0.07726%0.264CS..EExtended strand (participates in β ladder)trans-130132.7-174.1-49.2-177.8000108.1V223 R224 V291 E295 Q306 C307 R308V223-I293 WeakPolarHBondContact CA-O 3.23Å; R224-I293 HydrophobicContact CB-CB 4.28Å; R224-I293 PolarHBondContact N-O 2.97Å; R224-I293 PolarHBondContact O-N 2.86Å; V291-I293 HydrophobicContact CG1-CG1 4.19Å; I293-E295 HydrophobicContact CG2-CG 3.97Å; I293-Q306 HydrophobicContact CG2-CG 3.5Å; I293-C307 WeakPolarHBondContact CA-O 3.31Å; I293-R308 HydrophobicContact CG1-CG 4.19Å; I293-R308 HydrophobicContact CG2-CG 4.18Å
294L96Very high92.7Very high2 Ų251 Ų511%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-119.8119.8170.8174.265.7000107.8L189 F191 L218 A221 V223 I257 L259 Q306 C307L189-L294 HydrophobicContact CB-CD2 4.36Å; L189-L294 HydrophobicContact CD1-CD2 4.06Å; L189-L294 HydrophobicContact CD2-CD2 4.19Å; L189-L294 HydrophobicContact CG-CD2 4.43Å; F191-L294 HydrophobicContact CE1-CB 4.3Å; F191-L294 HydrophobicContact CZ-CB 3.72Å; L218-L294 HydrophobicContact CD2-CD1 4.25Å; L218-L294 HydrophobicContact CD2-CD2 4.15Å; L218-L294 HydrophobicContact CD2-CG 4.11Å; A221-L294 HydrophobicContact CB-CD1 4.5Å; V223-L294 HydrophobicContact CG1-CD1 3.67Å; I257-L294 HydrophobicContact CD1-CD1 3.97Å; L259-L294 HydrophobicContact CD2-CD2 3.99Å; L294-Q306 WeakPolarHBondContact O-CA 3.28Å; L294-C307 PolarHBondContact N-O 3.17Å; L294-C307 PolarHBondContact O-N 3.39Å
295E94.6Very high92.8Very high40 Ų4045 Ų4519%0.18727%0.267CS..EExtended strand (participates in β ladder)trans-114.5150178.5-72.9179.5134.500109.7A221 H222 R224 I293 T305 Q306A221-E295 CarbonylContact C-O 3.56Å; A221-E295 VanDerWaalsContact CA-O 3.22Å; A221-E295 WeakPolarHBondContact CA-O 3.07Å; H222-E295 IonicContact CD2-OE2 2.87Å; H222-E295 VanDerWaalsContact CE1-CB 3.43Å; H222-E295 WeakPolarHBondContact CE1-CB 3.47Å; H222-E295 PolarHBondContact N-O 2.66Å; H222-E295 WeakPolarHBondContact NE2-CB 3.46Å; H222-E295 IonicContact NE2-OE2 3.99Å; H222-E295 PolarHBondContact NE2-OE2 3.15Å; H222-E295 PolarHBondContact O-N 2.8Å; R224-E295 IonicContact NH1-OE2 3.68Å; I293-E295 HydrophobicContact CG2-CG 3.97Å; E295-T305 WeakPolarHBondContact CA-O 3.27Å; E295-Q306 HydrophobicContact CG-CB 4.06Å; E295-Q306 HydrophobicContact CG-CG 3.69Å; E295-Q306 PolarHBondContact OE1-NE2 2.97Å
296G94Very high92.9Very high4 Ų442.6 Ų42.64%0.04125%0.248CC..EExtended strand (participates in β ladder)trans172.1177.5174.100000111.9V219 T304 T305V219-G296 CarbonylContact O-C 3.54Å; G296-T304 CarbonylContact O-C 3.55Å; G296-T304 WeakPolarHBondContact O-CA 3.42Å; G296-T305 PolarHBondContact N-O 3.39Å; G296-T305 VanDerWaalsContact N-O 3.14Å; G296-T305 PolarHBondContact O-N 3.34Å
297M92.6Very high93Very high38 Ų3841.7 Ų41.719%0.18724%0.241CC..EExtended strand (participates in β ladder)trans-103.3137.8-178.7-70.2-174.5-71.100112.2V219 E220 E299 M303 T304V219-M297 HydrophobicContact CB-CB 4.22Å; V219-M297 HydrophobicContact CG1-CE 4.16Å; V219-M297 PolarHBondContact N-O 3.46Å; V219-M297 PolarHBondContact O-N 3.4Å; E220-M297 HydrophobicContact CB-CE 3.91Å; E220-M297 HydrophobicContact CG-CE 3.78Å; E220-M297 WeakPolarHBondContact OE2-CE 3.35Å; M297-E299 PolarHBondContact O-N 2.8Å; M297-M303 WeakPolarHBondContact CA-O 3.28Å; M297-T304 HydrophobicContact CG-CG2 3.77Å
298V91.1Very high93.2Very high17 Ų1738 Ų3810%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-74.9120.3173.3-176.90000109.6P182 R185 A300 T301 A302 M303 T305P182-V298 HydrophobicContact CB-CG2 3.69Å; P182-V298 HydrophobicContact CG-CG2 4.47Å; R185-V298 HydrophobicContact CB-CG2 4.2Å; R185-V298 HydrophobicContact CG-CG2 3.79Å; V298-A300 VanDerWaalsContact C-N 3.27Å; V298-A300 PolarHBondContact O-N 2.99Å; V298-A300 VanDerWaalsContact O-N 3.1Å; V298-T301 PolarHBondContact O-N 2.96Å; V298-T301 VanDerWaalsContact O-N 3.08Å; V298-A302 WeakPolarHBondContact O-CA 3.01Å; V298-A302 PolarHBondContact O-N 2.92Å; V298-M303 PolarHBondContact N-O 3.34Å; V298-T305 HydrophobicContact CG2-CG2 4Å
299E88.5Confident93.3Very high104 Ų10437.7 Ų37.749%0.48622%0.221SC..THydrogen-bonded Turntrans-46.7-43.6-176-176178.2-164.900114.5S216 H217 V219 M297S216-E299 WeakPolarHBondContact CA-OE2 3.2Å; S216-E299 WeakPolarHBondContact CB-OE2 3.46Å; H217-E299 IonicContact CD2-OE2 3.87Å; H217-E299 PolarHBondContact N-OE2 3.15Å; V219-E299 HydrophobicContact CG2-CB 4.36Å; M297-E299 PolarHBondContact O-N 2.8Å
300A87.6Confident93.3Very high97 Ų9737.2 Ų37.280%0.80222%0.218SC*.THydrogen-bonded Turntrans-76.8-26.9-175.900000114.8V298V298-A300 VanDerWaalsContact C-N 3.27Å; V298-A300 PolarHBondContact O-N 2.99Å; V298-A300 VanDerWaalsContact O-N 3.1Å
301T88.5Confident93.3Very high62 Ų6237.1 Ų37.138%0.3822%0.218SC..THydrogen-bonded Turntrans-116.7-9.7-17461.30000113.6V298 M303V298-T301 PolarHBondContact O-N 2.96Å; V298-T301 VanDerWaalsContact O-N 3.08Å; T301-M303 PolarHBondContact O-N 3.25Å; T301-M303 PolarHBondContact OG1-N 3.49Å
302A90.6Very high93.3Very high70 Ų7037.7 Ų37.758%0.57922%0.22SC*.  trans50.619.8-170.100000113.8V298V298-A302 WeakPolarHBondContact O-CA 3.01Å; V298-A302 PolarHBondContact O-N 2.92Å
303M90.4Very high93.1Very high66 Ų6637.9 Ų37.933%0.32522%0.222SC..  trans-86.2136.3177-66.5-176.972.700109.6A180 P182 M297 V298 T301A180-M303 HydrophobicContact CB-SD 3.91Å; P182-M303 HydrophobicContact CG-CB 4.17Å; M297-M303 WeakPolarHBondContact CA-O 3.28Å; V298-M303 PolarHBondContact N-O 3.34Å; T301-M303 PolarHBondContact O-N 3.25Å; T301-M303 PolarHBondContact OG1-N 3.49Å
304T91.7Very high93Very high113 Ų11341.7 Ų41.769%0.69325%0.25SS*.EExtended strand (participates in β ladder)trans-68.1139.6174.553.60000110.7G296 M297G296-T304 CarbonylContact O-C 3.55Å; G296-T304 WeakPolarHBondContact O-CA 3.42Å; M297-T304 HydrophobicContact CG-CG2 3.77Å
305T91.6Very high93Very high8 Ų843.4 Ų43.45%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-133.2139.9178.1-164.40000108.6R185 N186 L189 L218 E295 G296 V298R185-T305 HydrophobicContact CG-CG2 4.31Å; N186-T305 PolarHBondContact OD1-OG1 2.85Å; L189-T305 HydrophobicContact CD1-CG2 4.41Å; L218-T305 HydrophobicContact CD1-CG2 3.78Å; E295-T305 WeakPolarHBondContact CA-O 3.27Å; G296-T305 PolarHBondContact N-O 3.39Å; G296-T305 VanDerWaalsContact N-O 3.14Å; G296-T305 PolarHBondContact O-N 3.34Å; V298-T305 HydrophobicContact CG2-CG2 4Å
306Q92.3Very high93.1Very high66 Ų6642 Ų4231%0.30825%0.252SS..EExtended strand (participates in β ladder)trans-123.2117.7179.8-174.5-171.579.700108.1N186 I293 L294 E295 R308N186-Q306 PolarHBondContact ND2-O 3.5Å; I293-Q306 HydrophobicContact CG2-CG 3.5Å; L294-Q306 WeakPolarHBondContact O-CA 3.28Å; E295-Q306 HydrophobicContact CG-CB 4.06Å; E295-Q306 HydrophobicContact CG-CG 3.69Å; E295-Q306 PolarHBondContact OE1-NE2 2.97Å; Q306-R308 HydrophobicContact CG-CG 4.22Å
307C93.4Very high93.2Very high9 Ų944 Ų446%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-106.1141.3171.7-162.60000109.2N186 L189 F191 I293 L294N186-C307 PolarHBondContact O-SG 3.2Å; L189-C307 HydrophobicContact CB-CB 4.14Å; L189-C307 HydrophobicContact CD1-CB 4.08Å; F191-C307 HydrophobicContact CE2-CB 4.09Å; I293-C307 WeakPolarHBondContact CA-O 3.31Å; L294-C307 PolarHBondContact N-O 3.17Å; L294-C307 PolarHBondContact O-N 3.39Å
308R95.1Very high93.4Very high58 Ų5843.2 Ų43.222%0.21926%0.256CS..EExtended strand (participates in β ladder)trans-133.2151.2-174.9-61.9174.3-62.8-74.2-14.3109.4V46 G50 V292 I293 Q306V46-R308 HydrophobicContact CG1-CB 4.32Å; G50-R308 WeakPolarHBondContact CA-O 3.36Å; G50-R308 PolarHBondContact N-O 2.88Å; G50-R308 PolarHBondContact O-NE 2.9Å; G50-R308 PolarHBondContact O-NH2 2.9Å; V292-R308 VanDerWaalsContact O-CA 3.29Å; V292-R308 WeakPolarHBondContact O-CA 3.5Å; I293-R308 HydrophobicContact CG1-CG 4.19Å; I293-R308 HydrophobicContact CG2-CG 4.18Å; Q306-R308 HydrophobicContact CG-CG 4.22Å
309S96.3Very high93.7Very high4 Ų442.8 Ų42.83%0.02826%0.255CS..EExtended strand (participates in β ladder)trans-148.6177.7165-158.60000108.9K48 V292K48-S309 PolarHBondContact O-OG 3.27Å; V292-S309 PolarHBondContact N-O 3.47Å; V292-S309 PolarHBondContact O-N 3Å
310S96.9Very high94.1Very high0 Ų039.3 Ų39.30%024%0.239CC..EExtended strand (participates in β ladder)trans-144.9156.2174.283.30000113.6R44 V46 K48 E289 I290R44-S310 WeakPolarHBondContact CD-OG 3.43Å; R44-S310 PolarHBondContact NH1-O 3.37Å; R44-S310 PolarHBondContact NH1-OG 3.03Å; V46-S310 WeakPolarHBondContact O-CB 3.37Å; V46-S310 PolarHBondContact O-OG 2.89Å; K48-S310 VanDerWaalsContact CD-O 3.27Å; K48-S310 WeakPolarHBondContact CD-O 3.43Å; K48-S310 WeakPolarHBondContact CE-O 3.49Å; K48-S310 PolarHBondContact NZ-O 3.45Å; E289-S310 WeakPolarHBondContact OE1-CB 3.4Å; E289-S310 PolarHBondContact OE1-OG 3.33Å; I290-S310 CarbonylContact O-C 3.51Å; I290-S310 WeakPolarHBondContact O-CA 3.36Å; I290-S310 WeakPolarHBondContact O-CB 3.29Å
311Y97.2Very high94.5Very high0 Ų039.8 Ų39.80%022%0.22CC..EExtended strand (participates in β ladder)trans-123.1117.7176.1-57-77.3000109.2S192 H193 N194 A195 W208 I290 V292 E315S192-Y311 WeakPolarHBondContact O-CE1 3.29Å; S192-Y311 PolarHBondContact O-OH 3.35Å; S192-Y311 PolarHBondContact OG-OH 2.74Å; H193-Y311 WeakPolarHBondContact O-CE1 3.37Å; N194-Y311 VanDerWaalsContact C-CE1 3.47Å; A195-Y311 HydrophobicContact CB-CD1 3.97Å; A195-Y311 HydrophobicContact CB-CD2 4.11Å; A195-Y311 HydrophobicContact CB-CE1 4.29Å; A195-Y311 HydrophobicContact CB-CE2 4.38Å; A195-Y311 HydrophobicContact CB-CG 3.9Å; W208-Y311 HydrophobicContact CB-CE2 3.83Å; W208-Y311 HydrophobicContact CG-CE2 4.08Å; I290-Y311 PolarHBondContact N-O 2.85Å; I290-Y311 PolarHBondContact O-N 3.47Å; V292-Y311 HydrophobicContact CB-CE2 4.45Å; V292-Y311 HydrophobicContact CG1-CD2 4.08Å; V292-Y311 HydrophobicContact CG1-CE2 3.86Å; V292-Y311 HydrophobicContact CG2-CD2 4.37Å; V292-Y311 HydrophobicContact CG2-CE2 3.7Å; Y311-E315 WeakPolarHBondContact CA-OE2 3.35Å
312L95.6Very high95Very high18 Ų1837.7 Ų37.79%0.09421%0.206CC..EExtended strand (participates in β ladder)trans-72.3158.5166-60175.5000109.5R44 E289 S314 E315R44-L312 HydrophobicContact CB-CD2 4.35Å; R44-L312 HydrophobicContact CG-CD2 4.24Å; E289-L312 HydrophobicContact CB-CD2 4.06Å; E289-L312 HydrophobicContact CG-CD2 4.13Å; L312-S314 PolarHBondContact O-N 2.87Å; L312-S314 VanDerWaalsContact O-N 3.15Å; L312-E315 HydrophobicContact CB-CG 4.2Å; L312-E315 PolarHBondContact N-OE2 3.32Å; L312-E315 WeakPolarHBondContact O-CA 3.36Å; L312-E315 WeakPolarHBondContact O-CB 3.46Å; L312-E315 PolarHBondContact O-N 3.38Å
313A94.6Very high95.3Very high5 Ų536.1 Ų36.14%0.04119%0.187CC..G310 helixtrans-50.7-39.9175.700000112.9L283 S286 F288 E315 I316L283-A313 HydrophobicContact CD1-CB 4.26Å; S286-A313 VanDerWaalsContact O-CB 3.3Å; S286-A313 WeakPolarHBondContact O-CB 3.3Å; F288-A313 HydrophobicContact CD1-CB 4.21Å; F288-A313 HydrophobicContact CE1-CB 3.89Å; F288-A313 HydrophobicContact CE2-CB 4.28Å; F288-A313 HydrophobicContact CZ-CB 3.94Å; F288-A313 PolarHBondContact O-N 3.24Å; A313-E315 PolarHBondContact O-N 2.93Å; A313-I316 PolarHBondContact O-N 3.21Å
314S93.8Very high95.5Very high94 Ų9436.7 Ų36.766%0.65720%0.196SC*.G310 helixtrans-68.9-13.3176.758.10000115.2L312L312-S314 PolarHBondContact O-N 2.87Å; L312-S314 VanDerWaalsContact O-N 3.15Å
315E96.1Very high95.7Very high38 Ų3831.4 Ų31.418%0.17816%0.164CC..G310 helixtrans-98-0.8178.2-59.5178.8139.700112.5R44 K48 N194 A195 Y311 L312 A313R44-E315 IonicContact CZ-OE1 2.6Å; R44-E315 IonicContact CZ-OE2 2.93Å; R44-E315 IonicContact NH1-OE2 3.31Å; R44-E315 PolarHBondContact NH1-OE2 2.91Å; R44-E315 IonicContact NH2-OE1 3.46Å; R44-E315 PolarHBondContact NH2-OE1 2.86Å; R44-E315 IonicContact NH2-OE2 3.57Å; R44-E315 PolarHBondContact NH2-OE2 3.34Å; K48-E315 WeakPolarHBondContact CE-OE1 3.37Å; K48-E315 WeakPolarHBondContact CE-OE2 3.46Å; K48-E315 VanDerWaalsContact NZ-CD 3.29Å; K48-E315 IonicContact NZ-OE1 3.89Å; K48-E315 IonicContact NZ-OE2 2.95Å; K48-E315 PolarHBondContact NZ-OE2 3.03Å; N194-E315 WeakPolarHBondContact CA-O 3.41Å; N194-E315 VanDerWaalsContact CB-O 3.31Å; N194-E315 WeakPolarHBondContact CB-O 3.44Å; N194-E315 PolarHBondContact ND2-O 3Å; A195-E315 PolarHBondContact N-O 2.72Å; Y311-E315 WeakPolarHBondContact CA-OE2 3.35Å; L312-E315 HydrophobicContact CB-CG 4.2Å; L312-E315 PolarHBondContact N-OE2 3.32Å; L312-E315 WeakPolarHBondContact O-CA 3.36Å; L312-E315 WeakPolarHBondContact O-CB 3.46Å; L312-E315 PolarHBondContact O-N 3.38Å; A313-E315 PolarHBondContact O-N 2.93Å
316I97Very high95.9Very high12 Ų1234.7 Ų34.76%0.06218%0.181CC..EExtended strand (participates in β ladder)trans-94.8118.4177-55.7175.4000108.4A195 V197 L206 L283 F288 I290 A313A195-I316 HydrophobicContact CB-CG1 4.27Å; A195-I316 CarbonylContact O-C 3.55Å; A195-I316 WeakPolarHBondContact O-CA 3.45Å; V197-I316 HydrophobicContact CG2-CG2 3.73Å; L206-I316 HydrophobicContact CD1-CG2 3.96Å; L283-I316 HydrophobicContact CD1-CB 4.34Å; L283-I316 HydrophobicContact CD1-CD1 4.19Å; L283-I316 HydrophobicContact CD2-CB 4.07Å; L283-I316 HydrophobicContact CD2-CG2 3.86Å; F288-I316 HydrophobicContact CE2-CD1 3.73Å; F288-I316 HydrophobicContact CZ-CD1 4.06Å; I290-I316 HydrophobicContact CD1-CD1 3.6Å; I290-I316 HydrophobicContact CG1-CD1 4.34Å; A313-I316 PolarHBondContact O-N 3.21Å
317L97.1Very high96Very high46 Ų4635.4 Ų35.424%0.24118%0.183CC..EExtended strand (participates in β ladder)trans-95.5109.4-176.8-57.5177.1000110.4N194 A195 T196 V197 H320N194-L317 HydrophobicContact CB-CD1 3.81Å; N194-L317 HydrophobicContact CB-CG 4.02Å; A195-L317 PolarHBondContact O-N 3Å; T196-L317 CarbonylContact C-O 3.5Å; T196-L317 VanDerWaalsContact CA-O 3.3Å; T196-L317 WeakPolarHBondContact CA-O 3.03Å; T196-L317 HydrophobicContact CG2-CB 4.43Å; V197-L317 PolarHBondContact N-O 3.47Å; L317-H320 HydrophobicContact CB-CB 3.86Å
318W97Very high96.1Very high20 Ų2042.2 Ų42.28%0.07621%0.214CC..EExtended strand (participates in β ladder)trans-77.1132176.5-166.1-72.4000111.8V197 L204 M278 K280 L283 H320 P350 C352V197-W318 HydrophobicContact CB-CD2 4.25Å; V197-W318 HydrophobicContact CB-CE3 4.06Å; V197-W318 HydrophobicContact CG1-CD2 4.07Å; V197-W318 HydrophobicContact CG1-CE3 3.9Å; V197-W318 HydrophobicContact CG1-CH2 4.18Å; V197-W318 HydrophobicContact CG1-CZ2 4.32Å; V197-W318 HydrophobicContact CG1-CZ3 3.97Å; V197-W318 HydrophobicContact CG2-CE3 4.37Å; L204-W318 HydrophobicContact CD1-CZ2 4.39Å; L204-W318 HydrophobicContact CD2-CH2 3.77Å; L204-W318 HydrophobicContact CD2-CZ2 3.9Å; M278-W318 WeakPolarHBondContact O-CH2 3.1Å; K280-W318 HydrophobicContact CB-CB 4.42Å; K280-W318 HydrophobicContact CB-CD2 3.75Å; K280-W318 HydrophobicContact CB-CE3 4.22Å; K280-W318 HydrophobicContact CB-CG 3.82Å; K280-W318 HydrophobicContact CD-CB 4.11Å; K280-W318 HydrophobicContact CD-CG 4.02Å; K280-W318 HydrophobicContact CG-CB 3.87Å; K280-W318 HydrophobicContact CG-CD2 4.2Å; K280-W318 HydrophobicContact CG-CG 3.77Å; L283-W318 HydrophobicContact CD2-CB 4.46Å; L283-W318 HydrophobicContact CD2-CE3 3.84Å; W318-H320 PolarHBondContact O-CD2 3.48Å; W318-P350 PolarHBondContact NE1-O 3.09Å; W318-C352 WeakPolarHBondContact CZ2-O 3.4Å
319G96Very high96Very high8 Ų843.5 Ų43.58%0.08222%0.222CC..THydrogen-bonded Turntrans75.524.5-179.200000113.5V197 V346V197-G319 WeakPolarHBondContact O-CA 3.46Å; V197-G319 PolarHBondContact O-N 3.37Å; G319-V346 PolarHBondContact O-N 3.26Å
320H97.3Very high95.7Very high31 Ų3153.9 Ų53.914%0.14427%0.267CS..EExtended strand (participates in β ladder)trans-111.7153.6175.7-77.5-119.2000111.4T196 A198 L317 W318 T343 Y344 E345T196-H320 WeakPolarHBondContact CB-O 3.44Å; T196-H320 HydrophobicContact CG2-CB 3.82Å; A198-H320 VanDerWaalsContact CB-O 3.31Å; A198-H320 WeakPolarHBondContact CB-O 2.98Å; L317-H320 HydrophobicContact CB-CB 3.86Å; W318-H320 PolarHBondContact O-CD2 3.48Å; H320-T343 PolarHBondContact ND1-OG1 2.91Å; H320-T343 VanDerWaalsContact ND1-OG1 3.17Å; H320-Y344 CarbonylContact C-O 3.59Å; H320-Y344 VanDerWaalsContact CA-O 3.3Å; H320-Y344 WeakPolarHBondContact CA-O 3.22Å; H320-E345 WeakPolarHBondContact CE1-CG 3.28Å; H320-E345 IonicContact CE1-OE1 3.96Å; H320-E345 WeakPolarHBondContact NE2-CG 3.46Å; H320-E345 IonicContact NE2-OE1 3.95Å
321R96.9Very high95.5Very high108 Ų10859.1 Ų59.141%0.40830%0.304SS..EExtended strand (participates in β ladder)trans-129.3152.8168.8-74.5174.969.9-176.3-1.5110.2A198 T343 Y344 V346A198-R321 HydrophobicContact CB-CG 3.85Å; R321-T343 CarbonylContact O-C 3.5Å; R321-T343 WeakPolarHBondContact O-CA 3.48Å; R321-T343 WeakPolarHBondContact O-CB 3.45Å; R321-Y344 HydrophobicContact CB-CD1 4.46Å; R321-Y344 HydrophobicContact CB-CE1 3.82Å; R321-Y344 HydrophobicContact CB-CE2 3.96Å; R321-Y344 PolarHBondContact N-O 3.28Å; R321-Y344 PolarHBondContact NE-OH 3Å; R321-Y344 WeakPolarHBondContact O-CD1 3.32Å; R321-Y344 PolarHBondContact O-N 3.47Å; R321-V346 HydrophobicContact CB-CG2 4.09Å; R321-V346 HydrophobicContact CG-CG2 3.77Å
322F97.7Very high95.3Very high18 Ų1864.8 Ų64.88%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-72.9141.9175.6-71-71.8000112.1S192 N194 T196 M207 R209 T264 T343 Y344S192-F322 WeakPolarHBondContact OG-CZ 3.49Å; N194-F322 WeakPolarHBondContact O-CZ 3.32Å; T196-F322 HydrophobicContact CG2-CE1 4.36Å; T196-F322 HydrophobicContact CG2-CE2 4.05Å; T196-F322 HydrophobicContact CG2-CZ 3.96Å; T196-F322 WeakPolarHBondContact OG1-CE2 3.46Å; M207-F322 HydrophobicContact CB-CE2 4.35Å; R209-F322 HydrophobicContact CB-CE1 4.43Å; R209-F322 HydrophobicContact CB-CZ 4.38Å; T264-F322 HydrophobicContact CG2-CD2 4.03Å; T264-F322 HydrophobicContact CG2-CE2 4.35Å; F322-T343 HydrophobicContact CD1-CG2 3.7Å; F322-T343 HydrophobicContact CE1-CG2 3.8Å; F322-T343 HydrophobicContact CG-CG2 4.45Å; F322-Y344 WeakPolarHBondContact O-CE1 3.3Å
323D96.7Very high95.3Very high36 Ų3671.3 Ų71.319%0.19335%0.35CS..PPolyproline II helixtrans-61.2140170.1-85.3-7.3000110.8R209 V325 R339 K342 Y344R209-D323 PolarHBondContact NH1-O 3.48Å; R209-D323 PolarHBondContact NH2-O 3.48Å; D323-V325 PolarHBondContact O-N 2.81Å; D323-R339 HydrophobicContact CB-CB 4.1Å; D323-K342 HydrophobicContact CB-CB 4.27Å; D323-K342 PolarHBondContact N-O 3.43Å; D323-K342 VanDerWaalsContact OD2-CB 3.3Å; D323-K342 WeakPolarHBondContact OD2-CB 3.18Å; D323-Y344 VanDerWaalsContact OD1-CD1 3.29Å; D323-Y344 WeakPolarHBondContact OD1-CD1 3.18Å
324P95.9Very high95.2Very high78 Ų7876.9 Ų76.951%0.50637%0.374SS..PPolyproline II helixtrans-58.8132.6166-21.432.9000110.4F327P324-F327 VanDerWaalsContact O-CZ 3.29Å; P324-F327 WeakPolarHBondContact O-CZ 3.41Å
325V95.8Very high95.3Very high3 Ų374.6 Ų74.62%0.01836%0.355CS..  trans-113.4-19.7178.4-63.70000112.8P262 D323 F327 V335 D336 R339P262-V325 HydrophobicContact CB-CG2 3.89Å; P262-V325 HydrophobicContact CG-CG2 3.9Å; D323-V325 PolarHBondContact O-N 2.81Å; V325-F327 WeakPolarHBondContact O-CD2 3.43Å; V325-F327 WeakPolarHBondContact O-CE2 3.27Å; V325-V335 HydrophobicContact CB-CG1 4.3Å; V325-V335 HydrophobicContact CG2-CG1 4.14Å; V325-V335 CarbonylContact O-C 3.56Å; V325-V335 VanDerWaalsContact O-CA 3.29Å; V325-V335 WeakPolarHBondContact O-CA 3.34Å; V325-D336 PolarHBondContact O-N 3.45Å; V325-R339 HydrophobicContact CG1-CB 4.1Å
326L95.2Very high95.2Very high77 Ų7775.1 Ų75.140%0.40336%0.36SS..EExtended strand (participates in β ladder)trans-95.5123.6-178.2-173.570.4000108.5Y333 V335L326-Y333 HydrophobicContact CD1-CD1 4.48Å; L326-Y333 HydrophobicContact CD1-CG 4.42Å; L326-Y333 HydrophobicContact CG-CD1 4.39Å; L326-V335 HydrophobicContact CD1-CG2 3.66Å
327F94.6Very high95.1Very high81 Ų8178.1 Ų78.136%0.35537%0.371SS..EExtended strand (participates in β ladder)trans-126.4139.2177.6-55.4-77.6000109.3P324 V325 Y333 K334 D336P324-F327 VanDerWaalsContact O-CZ 3.29Å; P324-F327 WeakPolarHBondContact O-CZ 3.41Å; V325-F327 WeakPolarHBondContact O-CD2 3.43Å; V325-F327 WeakPolarHBondContact O-CE2 3.27Å; F327-Y333 WeakPolarHBondContact O-CA 3.47Å; F327-K334 PolarHBondContact N-O 3.02Å; F327-K334 PolarHBondContact O-N 2.93Å; F327-D336 HydrophobicContact CD2-CB 4.48Å; F327-D336 HydrophobicContact CE2-CB 4.02Å
328E94.9Very high95Very high152 Ų15279.6 Ų79.671%0.7139%0.385SS*.EExtended strand (participates in β ladder)trans-84130.7174.3-172.7174-169.700109.8Y333E328-Y333 HydrophobicContact CB-CD1 4.08Å; E328-Y333 HydrophobicContact CB-CE1 3.9Å; E328-Y333 HydrophobicContact CG-CD1 4.3Å; E328-Y333 HydrophobicContact CG-CE1 3.86Å
329E92.5Very high94.9Very high85 Ų8583.5 Ų83.540%0.39740%0.4SS..EExtended strand (participates in β ladder)trans-118.3156.5169-160.5162.5-171.800107.5S331 Y332E329-S331 PolarHBondContact O-N 2.85Å; E329-Y332 CarbonylContact C-O 3.51Å; E329-Y332 WeakPolarHBondContact CA-O 3.22Å; E329-Y332 HydrophobicContact CB-CD2 4.46Å; E329-Y332 HydrophobicContact CB-CE2 4.14Å; E329-Y332 WeakPolarHBondContact CB-O 3.27Å; E329-Y332 PolarHBondContact N-O 2.89Å; E329-Y332 PolarHBondContact O-N 3.37Å; E329-Y332 VanDerWaalsContact OE2-CE2 3.28Å; E329-Y332 WeakPolarHBondContact OE2-CE2 3.16Å; E329-Y332 PolarHBondContact OE2-OH 3.28Å
330K91.5Very high94.9Very high221 Ų22183.1 Ų83.196%0.96140%0.396SS*.THydrogen-bonded Turntrans-41.1-30.3-163.3-65.1-179.5180178.10117.4
331S93Very high94.9Very high110 Ų11085 Ų8577%0.76940%0.404SS*.THydrogen-bonded Turntrans-134.50.2-179.557.30000114.9E329E329-S331 PolarHBondContact O-N 2.85Å
332Y92.3Very high94.9Very high119 Ų11985.2 Ų85.247%0.46741%0.408SS..EExtended strand (participates in β ladder)trans-157.8161.9-177.165-95.2000111.6E329 K334E329-Y332 CarbonylContact C-O 3.51Å; E329-Y332 WeakPolarHBondContact CA-O 3.22Å; E329-Y332 HydrophobicContact CB-CD2 4.46Å; E329-Y332 HydrophobicContact CB-CE2 4.14Å; E329-Y332 WeakPolarHBondContact CB-O 3.27Å; E329-Y332 PolarHBondContact N-O 2.89Å; E329-Y332 PolarHBondContact O-N 3.37Å; E329-Y332 VanDerWaalsContact OE2-CE2 3.28Å; E329-Y332 WeakPolarHBondContact OE2-CE2 3.16Å; E329-Y332 PolarHBondContact OE2-OH 3.28Å; Y332-K334 HydrophobicContact CE2-CB 4.33Å
333Y94.4Very high94.9Very high155 Ų15586.2 Ų86.261%0.60842%0.416SS*.EExtended strand (participates in β ladder)trans-95138.7174.7-62.2-83.1000111.7L326 F327 E328L326-Y333 HydrophobicContact CD1-CD1 4.48Å; L326-Y333 HydrophobicContact CD1-CG 4.42Å; L326-Y333 HydrophobicContact CG-CD1 4.39Å; F327-Y333 WeakPolarHBondContact O-CA 3.47Å; E328-Y333 HydrophobicContact CB-CD1 4.08Å; E328-Y333 HydrophobicContact CB-CE1 3.9Å; E328-Y333 HydrophobicContact CG-CD1 4.3Å; E328-Y333 HydrophobicContact CG-CE1 3.86Å
334K93.6Very high94.9Very high122 Ų12288.5 Ų88.553%0.5342%0.423SS..EExtended strand (participates in β ladder)trans-114.6135.2177.4-168.4174.3-178176.20110.3F327 Y332F327-K334 PolarHBondContact N-O 3.02Å; F327-K334 PolarHBondContact O-N 2.93Å; Y332-K334 HydrophobicContact CE2-CB 4.33Å
335V95Very high94.9Very high46 Ų4691.7 Ų91.728%0.27943%0.431SS..EExtended strand (participates in β ladder)trans-109.6119.5176.9-178.20000109.9P262 V325 L326 Y337P262-V335 HydrophobicContact CG-CG1 3.9Å; V325-V335 HydrophobicContact CB-CG1 4.3Å; V325-V335 HydrophobicContact CG2-CG1 4.14Å; V325-V335 CarbonylContact O-C 3.56Å; V325-V335 VanDerWaalsContact O-CA 3.29Å; V325-V335 WeakPolarHBondContact O-CA 3.34Å; L326-V335 HydrophobicContact CD1-CG2 3.66Å; V335-Y337 HydrophobicContact CB-CE2 4.37Å; V335-Y337 HydrophobicContact CG1-CD2 3.91Å; V335-Y337 HydrophobicContact CG1-CE2 3.72Å
336D95.1Very high94.9Very high50 Ų5092.7 Ų92.727%0.26744%0.437SS..  trans-94.496174.4-176.33.2000111V325 F327 S338 R339V325-D336 PolarHBondContact O-N 3.45Å; F327-D336 HydrophobicContact CD2-CB 4.48Å; F327-D336 HydrophobicContact CE2-CB 4.02Å; D336-S338 PolarHBondContact O-N 3.14Å; D336-S338 VanDerWaalsContact OD1-CB 3.23Å; D336-S338 WeakPolarHBondContact OD1-CB 3.37Å; D336-S338 PolarHBondContact OD1-N 3.05Å; D336-S338 PolarHBondContact OD1-OG 3.5Å; D336-S338 PolarHBondContact OD2-OG 3.22Å; D336-R339 PolarHBondContact O-N 2.93Å; D336-R339 IonicContact OD2-NE 3.17Å; D336-R339 PolarHBondContact OD2-NE 3.15Å; D336-R339 VanDerWaalsContact OD2-NE 3.17Å
337Y94Very high94.7Very high74 Ų7495 Ų9529%0.2946%0.457SS..G310 helixtrans-68.2-13.8178-85.9-82.3000113.9V190 N212 L213 P262 V335 R339 F340V190-Y337 HydrophobicContact CG2-CE1 4.47Å; N212-Y337 PolarHBondContact O-OH 3.12Å; L213-Y337 HydrophobicContact CD2-CD1 3.79Å; L213-Y337 HydrophobicContact CD2-CE1 3.63Å; L213-Y337 HydrophobicContact CD2-CE2 4.45Å; L213-Y337 HydrophobicContact CD2-CG 4.29Å; P262-Y337 HydrophobicContact CG-CE1 3.78Å; V335-Y337 HydrophobicContact CB-CE2 4.37Å; V335-Y337 HydrophobicContact CG1-CD2 3.91Å; V335-Y337 HydrophobicContact CG1-CE2 3.72Å; Y337-R339 PolarHBondContact O-N 3.48Å; Y337-F340 HydrophobicContact CD1-CB 4.04Å; Y337-F340 AromaticContact CD1-CD2 3.82Å; Y337-F340 HydrophobicContact CD1-CD2 3.82Å; Y337-F340 HydrophobicContact CD1-CG 4.08Å; Y337-F340 AromaticContact CE1-CD2 3.77Å; Y337-F340 HydrophobicContact CE1-CD2 3.77Å; Y337-F340 HydrophobicContact CE1-CE2 4.18Å; Y337-F340 HydrophobicContact CE1-CG 4.45Å; Y337-F340 WeakPolarHBondContact O-CB 3.39Å; Y337-F340 PolarHBondContact O-N 3.2Å; Y337-F340 VanDerWaalsContact O-N 3.09Å
338S94.9Very high94.6Very high77 Ų7796.1 Ų96.154%0.53847%0.474SS..G310 helixtrans-66.1-22.3175.376.60000112.7D336D336-S338 PolarHBondContact O-N 3.14Å; D336-S338 VanDerWaalsContact OD1-CB 3.23Å; D336-S338 WeakPolarHBondContact OD1-CB 3.37Å; D336-S338 PolarHBondContact OD1-N 3.05Å; D336-S338 PolarHBondContact OD1-OG 3.5Å; D336-S338 PolarHBondContact OD2-OG 3.22Å
339R94.9Very high94.5Very high102 Ų10289.3 Ų89.339%0.38544%0.443SS..G310 helixtrans-97.51.1176-55-178.1-166.2-153.1-2.5113D323 V325 D336 Y337 H341 K342D323-R339 HydrophobicContact CB-CB 4.1Å; V325-R339 HydrophobicContact CG1-CB 4.1Å; D336-R339 PolarHBondContact O-N 2.93Å; D336-R339 IonicContact OD2-NE 3.17Å; D336-R339 PolarHBondContact OD2-NE 3.15Å; D336-R339 VanDerWaalsContact OD2-NE 3.17Å; Y337-R339 PolarHBondContact O-N 3.48Å; R339-H341 VanDerWaalsContact C-N 3.3Å; R339-H341 PolarHBondContact O-N 3.18Å; R339-K342 HydrophobicContact CG-CD 4.44Å; R339-K342 PolarHBondContact O-N 3.2Å; R339-K342 VanDerWaalsContact O-N 3.08Å
340F96.3Very high94.5Very high1 Ų187.1 Ų87.10%0.00444%0.436CS..THydrogen-bonded Turntrans-56.9-43.4-173.2179-89.4000112.8V190 R209 P262 Y337V190-F340 HydrophobicContact CB-CE1 4.47Å; V190-F340 HydrophobicContact CG2-CE1 4.04Å; V190-F340 HydrophobicContact CG2-CE2 4.21Å; V190-F340 HydrophobicContact CG2-CZ 3.8Å; R209-F340 HydrophobicContact CB-CE2 4.38Å; R209-F340 HydrophobicContact CB-CZ 4.09Å; R209-F340 HydrophobicContact CG-CE2 3.96Å; R209-F340 HydrophobicContact CG-CZ 4.18Å; R209-F340 PolarHBondContact NH1-O 3.31Å; P262-F340 HydrophobicContact CB-CD2 3.85Å; P262-F340 HydrophobicContact CB-CE2 3.71Å; P262-F340 HydrophobicContact CG-CD2 3.76Å; P262-F340 HydrophobicContact CG-CE2 3.91Å; Y337-F340 HydrophobicContact CD1-CB 4.04Å; Y337-F340 AromaticContact CD1-CD2 3.82Å; Y337-F340 HydrophobicContact CD1-CD2 3.82Å; Y337-F340 HydrophobicContact CD1-CG 4.08Å; Y337-F340 AromaticContact CE1-CD2 3.77Å; Y337-F340 HydrophobicContact CE1-CD2 3.77Å; Y337-F340 HydrophobicContact CE1-CE2 4.18Å; Y337-F340 HydrophobicContact CE1-CG 4.45Å; Y337-F340 WeakPolarHBondContact O-CB 3.39Å; Y337-F340 PolarHBondContact O-N 3.2Å; Y337-F340 VanDerWaalsContact O-N 3.09Å
341H97Very high94.6Very high70 Ų7081.8 Ų81.832%0.32442%0.418SS..THydrogen-bonded Turntrans-91.2-8.1179.7-53.3-80.4000113.6F191 H193 R339F191-H341 PolarHBondContact O-CE1 2.98Å; H193-H341 AromaticContact CD2-CD2 3.9Å; H193-H341 AromaticContact CD2-CE1 3.64Å; H193-H341 AromaticContact CD2-CG 3.37Å; H193-H341 AromaticContact CD2-ND1 3.19Å; H193-H341 PolarHBondContact CD2-ND1 3.37Å; H193-H341 AromaticContact CG-ND1 3.63Å; H193-H341 PolarHBondContact N-ND1 2.9Å; H193-H341 AromaticContact NE2-CE1 3.63Å; H193-H341 AromaticContact NE2-CG 3.95Å; H193-H341 AromaticContact NE2-ND1 3.69Å; H193-H341 AromaticContact NE2-NE2 3.87Å; R339-H341 VanDerWaalsContact C-N 3.3Å; R339-H341 PolarHBondContact O-N 3.18Å
342K97Very high94.5Very high113 Ų11377.8 Ų77.849%0.49139%0.389SS..  trans-75.7140-174.7-67.6-171.9-177.1-179.70110.9D323 R339D323-K342 HydrophobicContact CB-CB 4.27Å; D323-K342 PolarHBondContact N-O 3.43Å; D323-K342 VanDerWaalsContact OD2-CB 3.3Å; D323-K342 WeakPolarHBondContact OD2-CB 3.18Å; R339-K342 HydrophobicContact CG-CD 4.44Å; R339-K342 PolarHBondContact O-N 3.2Å; R339-K342 VanDerWaalsContact O-N 3.08Å
343T97.6Very high94.6Very high39 Ų3972.3 Ų72.324%0.23937%0.368CS..EExtended strand (participates in β ladder)trans-130.2153.4176.164.20000109.7T196 H320 R321 F322T196-T343 HydrophobicContact CG2-CG2 3.71Å; H320-T343 PolarHBondContact ND1-OG1 2.91Å; H320-T343 VanDerWaalsContact ND1-OG1 3.17Å; R321-T343 CarbonylContact O-C 3.5Å; R321-T343 WeakPolarHBondContact O-CA 3.48Å; R321-T343 WeakPolarHBondContact O-CB 3.45Å; F322-T343 HydrophobicContact CD1-CG2 3.7Å; F322-T343 HydrophobicContact CE1-CG2 3.8Å; F322-T343 HydrophobicContact CG-CG2 4.45Å
344Y96.8Very high94.5Very high84 Ų8465.3 Ų65.333%0.32934%0.342SS..EExtended strand (participates in β ladder)trans-122.3149173.363.2-87.5000110.2H320 R321 F322 D323 V346H320-Y344 CarbonylContact C-O 3.59Å; H320-Y344 VanDerWaalsContact CA-O 3.3Å; H320-Y344 WeakPolarHBondContact CA-O 3.22Å; R321-Y344 HydrophobicContact CB-CD1 4.46Å; R321-Y344 HydrophobicContact CB-CE1 3.82Å; R321-Y344 HydrophobicContact CB-CE2 3.96Å; R321-Y344 PolarHBondContact N-O 3.28Å; R321-Y344 PolarHBondContact NE-OH 3Å; R321-Y344 WeakPolarHBondContact O-CD1 3.32Å; R321-Y344 PolarHBondContact O-N 3.47Å; F322-Y344 WeakPolarHBondContact O-CE1 3.3Å; D323-Y344 VanDerWaalsContact OD1-CD1 3.29Å; D323-Y344 WeakPolarHBondContact OD1-CD1 3.18Å; Y344-V346 HydrophobicContact CD2-CG2 3.96Å; Y344-V346 HydrophobicContact CE2-CG2 3.67Å
345E96.4Very high94.4Very high145 Ų14564.5 Ų64.568%0.67834%0.336SS*.EExtended strand (participates in β ladder)trans-74.9142.8178.5-73.3178.3-160.200111.5H320H320-E345 WeakPolarHBondContact CE1-CG 3.28Å; H320-E345 IonicContact CE1-OE1 3.96Å; H320-E345 WeakPolarHBondContact NE2-CG 3.46Å; H320-E345 IonicContact NE2-OE1 3.95Å
346V95.6Very high94.3Very high24 Ų2465.3 Ų65.315%0.14534%0.339CS..  trans-125.689.5178.8-176.60000107.7G319 R321 Y344 S348 T349G319-V346 PolarHBondContact O-N 3.26Å; R321-V346 HydrophobicContact CB-CG2 4.09Å; R321-V346 HydrophobicContact CG-CG2 3.77Å; Y344-V346 HydrophobicContact CD2-CG2 3.96Å; Y344-V346 HydrophobicContact CE2-CG2 3.67Å; V346-S348 VanDerWaalsContact CG1-OG 3.31Å; V346-S348 WeakPolarHBondContact CG1-OG 3.06Å; V346-S348 PolarHBondContact O-N 3.42Å; V346-S348 VanDerWaalsContact O-N 3.08Å; V346-T349 WeakPolarHBondContact O-CB 3.49Å; V346-T349 PolarHBondContact O-N 3.28Å; V346-T349 PolarHBondContact O-OG1 2.81Å
347P91.8Very high94Very high126 Ų12664.9 Ų64.982%0.81834%0.336SS*.THydrogen-bonded Turntrans-60.7-21.6-175.5-25.434.9000114.1T349P347-T349 PolarHBondContact O-N 3.31Å
348S92.3Very high93.8Very high103 Ų10363.1 Ų63.172%0.7234%0.337SS*.THydrogen-bonded Turntrans-73.7-3.9177.663.60000113.8V346 P350V346-S348 VanDerWaalsContact CG1-OG 3.31Å; V346-S348 WeakPolarHBondContact CG1-OG 3.06Å; V346-S348 PolarHBondContact O-N 3.42Å; V346-S348 VanDerWaalsContact O-N 3.08Å; S348-P350 WeakPolarHBondContact O-CD 3.29Å
349T93.1Very high93.4Very high9 Ų963.8 Ų63.86%0.05533%0.331CS..SBendtrans-73.1124.6-179.9-51.60000110M199 L204 V346 P347M199-T349 HydrophobicContact CG-CG2 4.43Å; L204-T349 HydrophobicContact CD1-CG2 4.37Å; V346-T349 WeakPolarHBondContact O-CB 3.49Å; V346-T349 PolarHBondContact O-N 3.28Å; V346-T349 PolarHBondContact O-OG1 2.81Å; P347-T349 PolarHBondContact O-N 3.31Å
350P92.9Very high93Very high40 Ų4064.4 Ų64.426%0.2634%0.337SS..  trans-57.5142.7175-25.837.5000111.7M199 W318 S348 L357M199-P350 VanDerWaalsContact CG-CD 3.49Å; M199-P350 HydrophobicContact CG-CG 4.31Å; M199-P350 HydrophobicContact SD-CG 4.33Å; W318-P350 PolarHBondContact NE1-O 3.09Å; S348-P350 WeakPolarHBondContact O-CD 3.29Å; P350-L357 HydrophobicContact CB-CD1 3.79Å; P350-L357 HydrophobicContact CG-CD1 3.56Å
351L92.4Very high92.3Very high109 Ų10971.3 Ų71.357%0.57137%0.367SS*.  trans-93.9-10.7-179.8-53.2179.5000113K280K280-L351 HydrophobicContact CB-CB 4.49Å; K280-L351 HydrophobicContact CD-CD2 3.7Å; K280-L351 PolarHBondContact N-O 2.85Å; K280-L351 VanDerWaalsContact N-O 3.16Å
352C92.1Very high91.5Very high26 Ų2676.3 Ų76.318%0.17638%0.384CS..SBendtrans-81.3170178.662.40000111.8W318 D356W318-C352 WeakPolarHBondContact CZ2-O 3.4Å; C352-D356 HydrophobicContact CB-CB 3.79Å; C352-D356 WeakPolarHBondContact CB-OD2 3.33Å
353S93.8Very high90.6Very high3 Ų375.8 Ų75.82%0.02139%0.386CS..  trans-68166.1177.469.50000111.9D277 M278 R355 D356 L357D277-S353 VanDerWaalsContact C-CB 3.48Å; M278-S353 WeakPolarHBondContact O-CA 3.45Å; S353-R355 VanDerWaalsContact C-N 3.25Å; S353-R355 PolarHBondContact O-N 2.97Å; S353-D356 PolarHBondContact N-OD2 3.47Å; S353-D356 PolarHBondContact O-N 3.26Å; S353-D356 PolarHBondContact OG-N 3.39Å; S353-D356 PolarHBondContact OG-OD1 2.95Å; S353-D356 PolarHBondContact OG-OD2 3.45Å; S353-D356 VanDerWaalsContact OG-OD2 3.13Å; S353-L357 WeakPolarHBondContact O-CB 3.44Å; S353-L357 PolarHBondContact O-N 2.85Å; S353-L357 VanDerWaalsContact O-N 3.17Å
354A92.1Very high89.5Confident8 Ų879.4 Ų79.47%0.06640%0.403CS..Hα-helixtrans-63-36.8173.300000111.1L204 I269 Y276 L357 A358L204-A354 HydrophobicContact CD2-CB 4.22Å; I269-A354 HydrophobicContact CB-CB 4.19Å; I269-A354 HydrophobicContact CG2-CB 3.58Å; Y276-A354 HydrophobicContact CD2-CB 3.8Å; Y276-A354 HydrophobicContact CE2-CB 4.11Å; Y276-A354 PolarHBondContact O-N 3.47Å; A354-L357 WeakPolarHBondContact O-CB 3.24Å; A354-L357 PolarHBondContact O-N 3.4Å; A354-A358 PolarHBondContact O-N 3.25Å
355R92.4Very high88.3Confident106 Ų10679.1 Ų79.140%0.441%0.414SS..Hα-helixtrans-58.9-52.2172.6-179.6176.2176.5166.45.3113.3Y276 D277 S353 L357 A358 E359Y276-R355 HydrophobicContact CD1-CB 3.88Å; Y276-R355 HydrophobicContact CD1-CG 4.4Å; Y276-R355 HydrophobicContact CE1-CB 3.55Å; Y276-R355 HydrophobicContact CE1-CG 3.76Å; Y276-R355 HydrophobicContact CE2-CB 4.23Å; Y276-R355 HydrophobicContact CG-CB 4.37Å; Y276-R355 PolarHBondContact O-N 3.42Å; Y276-R355 VanDerWaalsContact O-N 3.08Å; D277-R355 WeakPolarHBondContact OD1-CD 3.3Å; D277-R355 IonicContact OD1-CZ 3.8Å; D277-R355 IonicContact OD1-NE 3.8Å; D277-R355 IonicContact OD1-NH1 3.47Å; D277-R355 PolarHBondContact OD1-NH1 3.44Å; S353-R355 VanDerWaalsContact C-N 3.25Å; S353-R355 PolarHBondContact O-N 2.97Å; R355-L357 PolarHBondContact O-N 2.78Å; R355-L357 VanDerWaalsContact O-N 3.17Å; R355-A358 WeakPolarHBondContact O-CB 3.21Å; R355-A358 PolarHBondContact O-N 3.47Å; R355-E359 HydrophobicContact CG-CG 4.36Å; R355-E359 WeakPolarHBondContact CG-OE1 3.25Å; R355-E359 IonicContact CZ-OE1 3.88Å; R355-E359 IonicContact NE-OE1 2.96Å; R355-E359 PolarHBondContact NE-OE1 2.88Å; R355-E359 IonicContact NH2-OE1 2.67Å; R355-E359 WeakPolarHBondContact O-CG 3.5Å; R355-E359 PolarHBondContact O-N 3.23Å
356D91.5Very high86.8Confident62 Ų6275.1 Ų75.133%0.33240%0.401SS..Hα-helixtrans-59-33.5179.6-61.7-23.2000111C352 S353 K360C352-D356 HydrophobicContact CB-CB 3.79Å; C352-D356 WeakPolarHBondContact CB-OD2 3.33Å; S353-D356 PolarHBondContact N-OD2 3.47Å; S353-D356 PolarHBondContact O-N 3.26Å; S353-D356 PolarHBondContact OG-N 3.39Å; S353-D356 PolarHBondContact OG-OD1 2.95Å; S353-D356 PolarHBondContact OG-OD2 3.45Å; S353-D356 VanDerWaalsContact OG-OD2 3.13Å; D356-K360 WeakPolarHBondContact O-CB 3.29Å; D356-K360 WeakPolarHBondContact O-CG 3.44Å; D356-K360 PolarHBondContact O-N 3.44Å
357L89.8Confident85.3Confident42 Ų4276.9 Ų76.922%0.2242%0.415CS..Hα-helixtrans-71.5-40.7178-167.2143.7000111.7M199 P350 S353 A354 R355 K361M199-L357 HydrophobicContact CE-CD1 4.2Å; M199-L357 HydrophobicContact CE-CD2 4.47Å; M199-L357 HydrophobicContact SD-CD1 4.11Å; P350-L357 HydrophobicContact CB-CD1 3.79Å; P350-L357 HydrophobicContact CG-CD1 3.56Å; S353-L357 WeakPolarHBondContact O-CB 3.44Å; S353-L357 PolarHBondContact O-N 2.85Å; S353-L357 VanDerWaalsContact O-N 3.17Å; A354-L357 WeakPolarHBondContact O-CB 3.24Å; A354-L357 PolarHBondContact O-N 3.4Å; R355-L357 PolarHBondContact O-N 2.78Å; R355-L357 VanDerWaalsContact O-N 3.17Å; L357-K361 WeakPolarHBondContact O-CB 3.48Å; L357-K361 PolarHBondContact O-N 3.28Å; L357-K361 VanDerWaalsContact O-N 3.09Å
358A88.3Confident83.7Confident37 Ų3776.3 Ų76.331%0.30641%0.405SS..Hα-helixtrans-64.5-45.8173.500000111.7Y276 A354 R355 K360 K361 Y362Y276-A358 WeakPolarHBondContact OH-CB 3.43Å; A354-A358 PolarHBondContact O-N 3.25Å; R355-A358 WeakPolarHBondContact O-CB 3.21Å; R355-A358 PolarHBondContact O-N 3.47Å; A358-K360 PolarHBondContact O-N 3.22Å; A358-K361 WeakPolarHBondContact O-CB 3.43Å; A358-K361 PolarHBondContact O-N 2.98Å; A358-Y362 PolarHBondContact O-N 2.92Å
359E88.5Confident82.2Confident90 Ų9074.8 Ų74.842%0.42140%0.395SS..Hα-helixtrans-61.4-44.8177.5-71.7179.9-171.800111.6R355 K361 Y362 I363R355-E359 HydrophobicContact CG-CG 4.36Å; R355-E359 WeakPolarHBondContact CG-OE1 3.25Å; R355-E359 IonicContact CZ-OE1 3.88Å; R355-E359 IonicContact NE-OE1 2.96Å; R355-E359 PolarHBondContact NE-OE1 2.88Å; R355-E359 IonicContact NH2-OE1 2.67Å; R355-E359 WeakPolarHBondContact O-CG 3.5Å; R355-E359 PolarHBondContact O-N 3.23Å; E359-K361 VanDerWaalsContact C-N 3.34Å; E359-K361 PolarHBondContact O-N 3.4Å; E359-Y362 WeakPolarHBondContact O-CB 3.3Å; E359-Y362 PolarHBondContact O-N 2.98Å; E359-I363 WeakPolarHBondContact O-CG1 3.43Å; E359-I363 PolarHBondContact O-N 3.11Å
360K85.3Confident80.4Confident116 Ų11680.3 Ų80.350%0.50442%0.418SS..Hα-helixtrans-61-41.9175.2-77.2171.4-172.9172.10112.4D356 A358 Y362 I363 L364D356-K360 WeakPolarHBondContact O-CB 3.29Å; D356-K360 WeakPolarHBondContact O-CG 3.44Å; D356-K360 PolarHBondContact O-N 3.44Å; A358-K360 PolarHBondContact O-N 3.22Å; K360-Y362 VanDerWaalsContact C-N 3.31Å; K360-Y362 PolarHBondContact O-N 2.93Å; K360-I363 PolarHBondContact O-N 3.23Å; K360-L364 WeakPolarHBondContact O-CB 3.25Å; K360-L364 WeakPolarHBondContact O-CD1 3.45Å; K360-L364 PolarHBondContact O-N 2.95Å
361K82.8Confident78.8Confident146 Ų14681.9 Ų81.964%0.63543%0.429SS*.Hα-helixtrans-63-40.6177.4-173.2-179.5178.2-174.80111.2L357 A358 E359 S365L357-K361 WeakPolarHBondContact O-CB 3.48Å; L357-K361 PolarHBondContact O-N 3.28Å; L357-K361 VanDerWaalsContact O-N 3.09Å; A358-K361 WeakPolarHBondContact O-CB 3.43Å; A358-K361 PolarHBondContact O-N 2.98Å; E359-K361 VanDerWaalsContact C-N 3.34Å; E359-K361 PolarHBondContact O-N 3.4Å; K361-S365 WeakPolarHBondContact O-CB 3.45Å; K361-S365 PolarHBondContact O-N 2.73Å
362Y78.3Confident77.1Confident174 Ų17484.5 Ų84.568%0.68243%0.432SS*.Hα-helixtrans-62.9-46.3175.5-174.8-95.7000111.9A358 E359 K360 L364 S365 S366A358-Y362 PolarHBondContact O-N 2.92Å; E359-Y362 WeakPolarHBondContact O-CB 3.3Å; E359-Y362 PolarHBondContact O-N 2.98Å; K360-Y362 VanDerWaalsContact C-N 3.31Å; K360-Y362 PolarHBondContact O-N 2.93Å; Y362-L364 PolarHBondContact O-N 3.5Å; Y362-S365 PolarHBondContact O-N 2.59Å; Y362-S366 WeakPolarHBondContact O-CB 3.35Å; Y362-S366 PolarHBondContact O-N 3.47Å
363I79.4Confident75.5Confident103 Ų10389.4 Ų89.453%0.52845%0.453SS..Hα-helixtrans-60.5-48.1177.7-66.4165.4000111E359 K360 S365 S366 S367E359-I363 WeakPolarHBondContact O-CG1 3.43Å; E359-I363 PolarHBondContact O-N 3.11Å; K360-I363 PolarHBondContact O-N 3.23Å; I363-S365 VanDerWaalsContact C-N 3.33Å; I363-S365 PolarHBondContact O-N 3.16Å; I363-S366 PolarHBondContact O-N 3.41Å; I363-S367 PolarHBondContact O-N 2.98Å; I363-S367 PolarHBondContact O-OG 2.93Å; I363-S367 VanDerWaalsContact O-OG 3.13Å
364L74.9Confident74Confident114 Ų11492.7 Ų92.760%0.59747%0.47SS*.Hα-helixtrans-60.1-40.8177-91.5141.9000112.4K360 Y362 N368K360-L364 WeakPolarHBondContact O-CB 3.25Å; K360-L364 WeakPolarHBondContact O-CD1 3.45Å; K360-L364 PolarHBondContact O-N 2.95Å; Y362-L364 PolarHBondContact O-N 3.5Å; L364-N368 VanDerWaalsContact O-CG 3.32Å; L364-N368 PolarHBondContact O-N 3.43Å; L364-N368 VanDerWaalsContact O-N 3.14Å
365S70.9Confident72.4Confident79 Ų7998.5 Ų98.555%0.55250%0.496SS*.Hα-helixtrans-66.1-41.7175.6-169.50000112K361 Y362 I363 N368 S369K361-S365 WeakPolarHBondContact O-CB 3.45Å; K361-S365 PolarHBondContact O-N 2.73Å; Y362-S365 PolarHBondContact O-N 2.59Å; I363-S365 VanDerWaalsContact C-N 3.33Å; I363-S365 PolarHBondContact O-N 3.16Å; S365-N368 PolarHBondContact O-N 3.32Å; S365-S369 PolarHBondContact O-N 2.92Å
366S64.6Low70.9Confident60 Ų6096.1 Ų96.142%0.4249%0.493SS..Hα-helixtrans-68.2-38.1179-177.80000112.2Y362 I363 S369 F370Y362-S366 WeakPolarHBondContact O-CB 3.35Å; Y362-S366 PolarHBondContact O-N 3.47Å; I363-S366 PolarHBondContact O-N 3.41Å; S366-S369 PolarHBondContact O-N 2.88Å; S366-F370 WeakPolarHBondContact O-CB 3.05Å; S366-F370 PolarHBondContact O-N 2.97Å
367S63.3Low69.5Low62 Ų6295.7 Ų95.743%0.43450%0.498SS..Hα-helixtrans-65.6-41.3174.7-61.50000111.7I363 S369 F370 C371I363-S367 PolarHBondContact O-N 2.98Å; I363-S367 PolarHBondContact O-OG 2.93Å; I363-S367 VanDerWaalsContact O-OG 3.13Å; S367-S369 VanDerWaalsContact C-N 3.34Å; S367-F370 PolarHBondContact O-N 3.48Å; S367-C371 PolarHBondContact O-N 3.28Å; S367-C371 PolarHBondContact O-SG 3.39Å; S367-C371 VanDerWaalsContact O-SG 3.34Å
368N60Low67.9Low113 Ų11398.8 Ų98.860%0.60451%0.514SS*.Hα-helixtrans-66.1-36.8175.2-71.4-11.5000112L364 S365 Y372L364-N368 VanDerWaalsContact O-CG 3.32Å; L364-N368 PolarHBondContact O-N 3.43Å; L364-N368 VanDerWaalsContact O-N 3.14Å; S365-N368 PolarHBondContact O-N 3.32Å; N368-Y372 WeakPolarHBondContact O-CB 3.37Å; N368-Y372 PolarHBondContact O-N 2.85Å
369S59.1Low66.4Low72 Ų72100.7 Ų100.750%0.50352%0.522SS..Hα-helixtrans-65.5-42.2174-167.70000112S365 S366 S367 Y372 E373S365-S369 PolarHBondContact O-N 2.92Å; S366-S369 PolarHBondContact O-N 2.88Å; S367-S369 VanDerWaalsContact C-N 3.34Å; S369-Y372 PolarHBondContact O-N 3.17Å; S369-E373 WeakPolarHBondContact O-CB 3.37Å; S369-E373 PolarHBondContact O-N 3.37Å
370F56.7Low64.6Low125 Ų125101.1 Ų101.155%0.54853%0.527SS..Hα-helixtrans-68.8-36178.9-171.9-105.7000112.6S366 S367 N374S366-F370 WeakPolarHBondContact O-CB 3.05Å; S366-F370 PolarHBondContact O-N 2.97Å; S367-F370 PolarHBondContact O-N 3.48Å; F370-N374 VanDerWaalsContact CD1-ND2 3.32Å; F370-N374 WeakPolarHBondContact CD1-ND2 3.37Å; F370-N374 WeakPolarHBondContact CE1-ND2 3.48Å; F370-N374 WeakPolarHBondContact CZ-ND2 3.41Å; F370-N374 WeakPolarHBondContact O-CB 3.43Å; F370-N374 VanDerWaalsContact O-CG 3.32Å; F370-N374 PolarHBondContact O-N 3.49Å; F370-N374 PolarHBondContact O-ND2 2.01Å; F370-N374 VanDerWaalsContact O-ND2 3.08Å
371C58.2Low63.1Low72 Ų72103 Ų10349%0.48654%0.535SS..Hα-helixtrans-66.3-41.5172.4-70.10000111.7S367 N374 E375S367-C371 PolarHBondContact O-N 3.28Å; S367-C371 PolarHBondContact O-SG 3.39Å; S367-C371 VanDerWaalsContact O-SG 3.34Å; C371-N374 PolarHBondContact O-N 3Å; C371-E375 WeakPolarHBondContact O-CB 3Å; C371-E375 WeakPolarHBondContact O-CG 3.35Å; C371-E375 PolarHBondContact O-N 3.26Å
372Y57Low61.6Low164 Ų164103.4 Ų103.464%0.64354%0.54SS*.Hα-helixtrans-65.4-42.4176.5-170.9-99000112.1N368 S369 N374 E375 V376N368-Y372 WeakPolarHBondContact O-CB 3.37Å; N368-Y372 PolarHBondContact O-N 2.85Å; S369-Y372 PolarHBondContact O-N 3.17Å; Y372-N374 VanDerWaalsContact C-N 3.33Å; Y372-N374 PolarHBondContact O-N 2.68Å; Y372-E375 PolarHBondContact O-N 2.7Å; Y372-V376 HydrophobicContact CD1-CG2 4.03Å; Y372-V376 HydrophobicContact CE1-CG2 3.72Å; Y372-V376 HydrophobicContact CE2-CG2 4.48Å; Y372-V376 WeakPolarHBondContact O-CB 3.33Å; Y372-V376 VanDerWaalsContact O-CG2 3.25Å; Y372-V376 WeakPolarHBondContact O-CG2 3.48Å; Y372-V376 PolarHBondContact O-N 2.97Å
373E59.7Low60.2Low130 Ų130103.2 Ų103.261%0.60755%0.545SS*.Hα-helixtrans-64.9-37.6177.8-146.2172.4-161.500111.7S369 A377S369-E373 WeakPolarHBondContact O-CB 3.37Å; S369-E373 PolarHBondContact O-N 3.37Å; E373-A377 VanDerWaalsContact O-CB 3.23Å; E373-A377 WeakPolarHBondContact O-CB 3.41Å; E373-A377 PolarHBondContact O-N 3.14Å
374N60.4Low58.8Low71 Ų71103.7 Ų103.738%0.3855%0.553SS.*Hα-helixtrans-71.1-38.1173.4-74.8-36.3000113.1F370 C371 Y372 A377 L378F370-N374 VanDerWaalsContact CD1-ND2 3.32Å; F370-N374 WeakPolarHBondContact CD1-ND2 3.37Å; F370-N374 WeakPolarHBondContact CE1-ND2 3.48Å; F370-N374 WeakPolarHBondContact CZ-ND2 3.41Å; F370-N374 WeakPolarHBondContact O-CB 3.43Å; F370-N374 VanDerWaalsContact O-CG 3.32Å; F370-N374 PolarHBondContact O-N 3.49Å; F370-N374 PolarHBondContact O-ND2 2.01Å; F370-N374 VanDerWaalsContact O-ND2 3.08Å; C371-N374 PolarHBondContact O-N 3Å; Y372-N374 VanDerWaalsContact C-N 3.33Å; Y372-N374 PolarHBondContact O-N 2.68Å; N374-A377 PolarHBondContact O-N 3.21Å; N374-L378 WeakPolarHBondContact O-CB 3.37Å; N374-L378 WeakPolarHBondContact O-CD1 3.32Å; N374-L378 WeakPolarHBondContact O-CG 3.49Å; N374-L378 PolarHBondContact O-N 3.21Å
375E59.3Low57.3Low131 Ų131105.3 Ų105.361%0.61256%0.562SS**Hα-helixtrans-66.2-39.5175-79.4-171.2175.300111.9C371 Y372 L378 T379C371-E375 WeakPolarHBondContact O-CB 3Å; C371-E375 WeakPolarHBondContact O-CG 3.35Å; C371-E375 PolarHBondContact O-N 3.26Å; Y372-E375 PolarHBondContact O-N 2.7Å; E375-L378 PolarHBondContact O-N 2.97Å; E375-T379 PolarHBondContact O-N 3.45Å; E375-T379 PolarHBondContact O-OG1 3.47Å
376V61.8Low55.9Low55 Ų55110.7 Ų110.733%0.33358%0.578SS.*Hα-helixtrans-67.4-38173.2175.80000111.2Y372 T379 N380Y372-V376 HydrophobicContact CD1-CG2 4.03Å; Y372-V376 HydrophobicContact CE1-CG2 3.72Å; Y372-V376 HydrophobicContact CE2-CG2 4.48Å; Y372-V376 WeakPolarHBondContact O-CB 3.33Å; Y372-V376 VanDerWaalsContact O-CG2 3.25Å; Y372-V376 WeakPolarHBondContact O-CG2 3.48Å; Y372-V376 PolarHBondContact O-N 2.97Å; V376-T379 VanDerWaalsContact CA-OG1 3.29Å; V376-T379 WeakPolarHBondContact CA-OG1 3.46Å; V376-T379 PolarHBondContact O-OG1 2.99Å; V376-N380 WeakPolarHBondContact O-CB 3.08Å; V376-N380 VanDerWaalsContact O-CG 3.28Å; V376-N380 PolarHBondContact O-N 3.28Å; V376-N380 PolarHBondContact O-ND2 3.4Å; V376-N380 VanDerWaalsContact O-ND2 3.15Å
377A60.6Low54.5Low54 Ų54111.5 Ų111.545%0.44660%0.596SS.*Hα-helixtrans-68.4-32.4174.800000112.9E373 N374 K381E373-A377 VanDerWaalsContact O-CB 3.23Å; E373-A377 WeakPolarHBondContact O-CB 3.41Å; E373-A377 PolarHBondContact O-N 3.14Å; N374-A377 PolarHBondContact O-N 3.21Å; A377-K381 WeakPolarHBondContact O-CB 3.28Å; A377-K381 PolarHBondContact O-N 2.9Å
378L57.5Low53.1Low106 Ų106116.4 Ų116.456%0.55562%0.618SS**Hα-helixtrans-74.7-43.1176-74.5165.9000111.9N374 E375 K381 E382N374-L378 WeakPolarHBondContact O-CB 3.37Å; N374-L378 WeakPolarHBondContact O-CD1 3.32Å; N374-L378 WeakPolarHBondContact O-CG 3.49Å; N374-L378 PolarHBondContact O-N 3.21Å; E375-L378 PolarHBondContact O-N 2.97Å; L378-K381 WeakPolarHBondContact O-CB 3.41Å; L378-K381 PolarHBondContact O-N 2.88Å; L378-K381 VanDerWaalsContact O-N 3.08Å; L378-E382 PolarHBondContact O-N 3.19Å
379T55.9Low51.7Low77 Ų77113.9 Ų113.947%0.47262%0.619SS.*Hα-helixtrans-63.8-40.3175.536.20000112.4E375 V376 K381 E382 E383E375-T379 PolarHBondContact O-N 3.45Å; E375-T379 PolarHBondContact O-OG1 3.47Å; V376-T379 VanDerWaalsContact CA-OG1 3.29Å; V376-T379 WeakPolarHBondContact CA-OG1 3.46Å; V376-T379 PolarHBondContact O-OG1 2.99Å; T379-K381 PolarHBondContact O-N 3.36Å; T379-E382 PolarHBondContact O-N 2.89Å; T379-E383 PolarHBondContact O-N 3.09Å
380N52Low50.3Low99 Ų99114 Ų11453%0.52963%0.631SS.*Hα-helixtrans-66-21.4173.1-75-29.6000113.7V376 T384V376-N380 WeakPolarHBondContact O-CB 3.08Å; V376-N380 VanDerWaalsContact O-CG 3.28Å; V376-N380 PolarHBondContact O-N 3.28Å; V376-N380 PolarHBondContact O-ND2 3.4Å; V376-N380 VanDerWaalsContact O-ND2 3.15Å; N380-T384 PolarHBondContact O-OG1 3.4Å
381K52.7Low49Very low155 Ų155113.8 Ų113.867%0.67465%0.645SS**Hα-helixtrans-85.8-34.8178.2-134173.7-176.7173.50112A377 L378 T379 E383 T384A377-K381 WeakPolarHBondContact O-CB 3.28Å; A377-K381 PolarHBondContact O-N 2.9Å; L378-K381 WeakPolarHBondContact O-CB 3.41Å; L378-K381 PolarHBondContact O-N 2.88Å; L378-K381 VanDerWaalsContact O-N 3.08Å; T379-K381 PolarHBondContact O-N 3.36Å; K381-E383 VanDerWaalsContact C-N 3.31Å; K381-T384 PolarHBondContact O-N 3.08Å; K381-T384 PolarHBondContact O-OG1 3.15Å
382E51.2Low47.8Very low156 Ų156117.6 Ų117.673%0.72967%0.666SS**Hα-helixtrans-68.7-27.1175.1-73.6-179.2171.500112.5L378 T379 T384L378-E382 PolarHBondContact O-N 3.19Å; T379-E382 PolarHBondContact O-N 2.89Å; E382-T384 VanDerWaalsContact C-N 3.31Å; E382-T384 PolarHBondContact O-N 3.17Å
383E49.6Very low46.5Very low170 Ų170113 Ų11379%0.79467%0.668SS**THydrogen-bonded Turntrans-78.3-8.6173.7-71.8-168.3167.100114.5T379 K381T379-E383 PolarHBondContact O-N 3.09Å; K381-E383 VanDerWaalsContact C-N 3.31Å
384T49.5Very low46.2Very low112 Ų112112.4 Ų112.469%0.68768%0.676SS**THydrogen-bonded Turntrans-100.51.7-177.738.80000116N380 K381 E382N380-T384 PolarHBondContact O-OG1 3.4Å; K381-T384 PolarHBondContact O-N 3.08Å; K381-T384 PolarHBondContact O-OG1 3.15Å; E382-T384 VanDerWaalsContact C-N 3.31Å; E382-T384 PolarHBondContact O-N 3.17Å
385D43.9Very low44.7Very low148 Ų148117 Ų11779%0.79170%0.701SS**SBendtrans-118.828.4-175.2-144.616.8000114.8
386E41.8Very low43.4Very low192 Ų192116.4 Ų116.490%0.89771%0.705SS**SBendtrans-125.7103.1162.7-74.3-155.9161.900112.6
387G34.8Very low41.9Very low77 Ų77120.5 Ų120.579%0.79473%0.73SS**  trans95.6109.5148.900000117.4
388N33.3Very low40.4Very low166 Ų166126 Ų12689%0.88875%0.747SS**  165.8140.987.1-163.823.2000111.8
389G30.3Very low39.2Very low60 Ų60127.1 Ų127.162%0.61976%0.758SS**  trans-84.7143.6172.500000113.3
390G29.5Very low37.9Very low75 Ų75129.5 Ų129.577%0.77377%0.768SS**  trans61.1112.8142.600000120.7
391S29.8Very low36.8Very low120 Ų120131.3 Ų131.384%0.83978%0.777SS**  174119.9104.541.20000114.4
392V32.9Very low35.8Very low151 Ų151130.7 Ų130.792%0.91578%0.78SS**  trans21.9120.3143.5-169.40000122.1
393G29.9Very low34.8Very low67 Ų67128 Ų12869%0.69178%0.779SS**  109.9153119.400000119.3
394P53Low33.8Very low119 Ų119127.1 Ų127.177%0.77378%0.779SS**  -124.2159.8-117.238.6-26.9000115.1
395D28.9Very low32.7Very low168 Ų168126.9 Ų126.990%0.89878%0.782SS**  trans-159.8148.9133.9-119.2-22.3000113.9
396V32.7Very low32Very low117 Ų117123.8 Ų123.871%0.70978%0.778SS**  trans-90.2135.7-166169.80000111.3
397T29.9Very low31.4Very low141 Ų141124.9 Ų124.987%0.86577%0.774SS**  trans-168.7124130.6120000111.9
398H30.4Very low31Very low170 Ų170128.4 Ų128.479%0.78777%0.769SS**  trans-67.2138.2168.9-100.6-95.2000111.1
399T30.7Very low30.7Very low129 Ų129129.2 Ų129.279%0.79177%0.767SS**  -176.8114.5120.121.20000111.6
400D28.8Very low30.7Very low128 Ų128131 Ų13168%0.68478%0.777SS**  trans41.1115.1140.9-57.8-16.7000122.6
401N29.5Very low30.7Very low136 Ų136133.9 Ų133.973%0.72778%0.779SS**  77.8109.2126.1-72.1-17.3000122
402I32Very low31Very low142 Ų142134.8 Ų134.873%0.72878%0.779SS**  84.789.8127.6-58.4169.7000117
403S30.1Very low31.1Very low101 Ų101133.1 Ų133.171%0.70677%0.772SS**  trans50.8102.6133.268.40000120.6
404D28.7Very low31.3Very low150 Ų150138.3 Ų138.380%0.80278%0.783SS**  25.7121.5123.6-73.6-36.4000119.6
405S26.6Very low30.4Very low107 Ų107141.5 Ų141.575%0.74879%0.787SS**  57.897.479.3-88.40000112.5
406A28.5Very low30.6Very low84 Ų84139.3 Ų139.369%0.69478%0.782SS**  80.7116.184.700000113.4
407R28.8Very low30.7Very low215 Ų215145.3 Ų145.381%0.81179%0.792SS**  162.9137.3104.9-91179.5170.4170.11111.9
408H27.7Very low30.9Very low151 Ų151144.4 Ų144.470%0.69979%0.789SS**  trans52.4134.9138.8-60.2-42.8000118.5
409Q27.2Very low31.1Very low182 Ų182145 Ų14585%0.8580%0.797SS**  cis-176.113229.5-131166.87.800106.9
410A29.1Very low31.2Very low99 Ų99150.8 Ų150.882%0.81880%0.804SS**  trans-174.6107.3147.900000108.4
411T30.3Very low31.5Very low135 Ų135155 Ų15583%0.82881%0.811SS**  trans-143.8105.4169.2-37.70000108.5
412V35.6Very low31.7Very low138 Ų138156.7 Ų156.784%0.83681%0.814SS**  trans-105120.5163.7176.80000105.8
413P35.2Very low31.7Very low117 Ų117155.6 Ų155.676%0.7682%0.819SS**PPolyproline II helixtrans-86129174.73.813.9000110.5
414L34.1Very low32Very low175 Ų175159.8 Ų159.892%0.91683%0.827SS**PPolyproline II helixtrans-79.1122.4168.2-80.9155.9000109.7
415E34.8Very low32.6Very low187 Ų187164.3 Ų164.387%0.87485%0.849SS**PPolyproline II helixtrans-70.8140.1170.1-107.1-175.6153.100111.7
416P32.8Very low32.9Very low122 Ų122167.2 Ų167.279%0.79285%0.854SS**PPolyproline II helixtrans-85.4120.3175.431.5-29.9000111.8
417R33.8Very low33.2Very low243 Ų243171.5 Ų171.592%0.91786%0.862SS**PPolyproline II helixtrans-81.4133.5168.3-83.7-176.6172.7177.3-1.4111
418P35.3Very low33.4Very low122 Ų122169.1 Ų169.179%0.79287%0.865SS**PPolyproline II helixtrans-84.6144.7-179.632.3-32.4000113.1
419L33.4Very low33.7Very low183 Ų183170.2 Ų170.296%0.95888%0.875SS**PPolyproline II helixtrans-57.7130.4168.7-76.9142.4000111.2
420R32.7Very low34.1Very low250 Ų250169.4 Ų169.494%0.94388%0.876SS**  trans-122.1124.4164.6-160.5174.3-174.8167.31.5109.9
421R34.6Very low34.5Very low217 Ų217174.1 Ų174.182%0.81988%0.88SS**  trans-83.2156.8176.4-144.2-174.8-164.2171.81.9110.1
422E34.1Very low34.8Very low170 Ų170176.9 Ų176.979%0.79488%0.884SS**  trans79.5119.5161.3-68.5169.1-174.500119.4
423S33Very low34.7Very low120 Ų120179.9 Ų179.984%0.83989%0.888SS**  -171.2133.8105.153.80000112
424E36.5Very low34.7Very low188 Ų188185.2 Ų185.288%0.87990%0.898SS**  trans-53.5144.3163.8-63164.6140.800112.3
425I40.8Very low34.7Very low245 Ų245186.1 Ų186.1100%1.25690%0.897SS**  -167.40123.5-85.4155.3000107.1

Retrieved 425 of 425 residues in 107.9 ms (Link to these results)