A0A087XLN4_POEFO Loading...

Phospholipid scramblase

May mediate accelerated ATP-independent bidirectional transbilayer migration of phospholipids upon binding calcium ions that results in a loss of phospholipid asymmetry in the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087XLN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 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
1M40Very low40.6Very low251 Ų251135.4 Ų135.4100%1.23685%0.849SS**  0138.80-70.5177.1176.300107.8
2S36.9Very low40.8Very low123 Ų123139.5 Ų139.586%0.8685%0.849SS**  trans-84.4157-151.5-38.30000114.4
3A36.9Very low41.2Very low90 Ų90136.8 Ų136.874%0.74484%0.836SS**  trans-80.7174.3145.500000109
4P51Low41.2Very low132 Ų132136.1 Ų136.186%0.85784%0.835SS**  cis-133.3-176.5-5.637.5-18.2000113.3
5G34.3Very low41.1Very low75 Ų75141.4 Ų141.477%0.77384%0.836SS**  trans170.7102.1161.800000115.8
6Y41.8Very low41.2Very low231 Ų231139.8 Ų139.891%0.90683%0.831SS**  trans-71.7147.9152-96-89.2000108.8
7P45.1Very low41.1Very low126 Ų126142.2 Ų142.282%0.81883%0.831SS**  -152.1164.394.436.4-17.5000115.7
8G34Very low41.1Very low70 Ų70140.9 Ų140.972%0.72283%0.828SS**  trans122.893.6145.200000117.3
9S44.4Very low40.8Very low122 Ų122137.1 Ų137.185%0.85382%0.821SS**  trans-69.4151.7157.4-55.80000111.1
10P45Very low40.6Very low111 Ų111140.3 Ų140.372%0.72183%0.828SS**  trans-138136.8134.517.63.9000115.2
11N37.8Very low40.4Very low158 Ų158138.8 Ų138.885%0.84582%0.824SS**  trans66.993.9143.8-66.2-10.2000120.3
12H43Very low40.4Very low185 Ų185131.6 Ų131.686%0.85681%0.805SS**PPolyproline II helixtrans-83.7138.6147.6-76.9-84.7000110.6
13P45.8Very low40.5Very low105 Ų105130.8 Ų130.868%0.68280%0.797SS**PPolyproline II helixtrans-73.9153.8168.629.6-31.2000111.6
14P40.9Very low40.6Very low126 Ų126132.5 Ų132.582%0.81880%0.8SS**PPolyproline II helixtrans-74.6130.7-170.827.6-31.6000112.6
15Y40.2Very low39.9Very low216 Ų216136.9 Ų136.985%0.84780%0.801SS**PPolyproline II helixtrans-71.2137165.8-83.4-91.2000110.6
16P41.6Very low40.2Very low116 Ų116139.1 Ų139.175%0.75380%0.802SS**PPolyproline II helixtrans-73.1127.6171.827.2-29.7000111.1
17Q40.6Very low40.2Very low180 Ų180134.6 Ų134.684%0.84180%0.798SS**PPolyproline II helixtrans-62.9130.3167.9-78.2-87-62.500110.8G19Q17-G19 PolarHBondContact O-N 3.31Å
18P40.8Very low39.7Very low119 Ų119134.7 Ų134.777%0.77380%0.799SS**PPolyproline II helixtrans-78.7117.3163.5-8.525.6000109.4
19G34.8Very low39.7Very low68 Ų68136.1 Ų136.170%0.70180%0.804SS**PPolyproline II helixtrans-61.3143.6176.700000113Q17 S21Q17-G19 PolarHBondContact O-N 3.31Å; G19-S21 PolarHBondContact O-N 3.31Å
20Q37.8Very low39Very low202 Ų202134.4 Ų134.494%0.94481%0.805SS**PPolyproline II helixtrans-69.7117.1164.5-68.2174.23.100109.1
21S35.7Very low38.3Very low109 Ų109132.2 Ų132.276%0.76280%0.803SS**  trans-148.392.7161.446.20000109.1G19G19-S21 PolarHBondContact O-N 3.31Å
22A39.6Very low38.4Very low99 Ų99136 Ų13682%0.81881%0.807SS**PPolyproline II helixtrans-76.6129.1169.800000109.7
23P39.8Very low38.2Very low107 Ų107132.9 Ų132.970%0.69580%0.803SS**PPolyproline II helixtrans-80.7143.1167.330.1-29.4000110.7
24P38Very low37.6Very low125 Ų125131.8 Ų131.881%0.81281%0.811SS**PPolyproline II helixtrans-78.1132-176.529.7-31.4000111.8
25Y36.4Very low37.2Very low224 Ų224132.3 Ų132.388%0.87881%0.806SS**PPolyproline II helixtrans-70.4137.7169.5-69-90.7000111
26P40.5Very low37.4Very low123 Ų123127.9 Ų127.980%0.79980%0.804SS**PPolyproline II helixtrans-83.8127.2164.429.9-27.2000110.9
27V41.5Very low37.3Very low136 Ų136126.7 Ų126.782%0.82480%0.799SS**PPolyproline II helixtrans-77.4132.7173.4-140.40000109.2A29V27-A29 PolarHBondContact O-N 3.07Å
28P36.4Very low37.2Very low128 Ų128127.4 Ų127.483%0.83180%0.802SS**  trans-83.4103.9166.2-7.524.9000109.8G30P28-G30 PolarHBondContact O-N 3.04Å
29A33.4Very low37.2Very low100 Ų100126.3 Ų126.383%0.82680%0.803SS**  trans-81.698.8164.900000109.1V27 G31V27-A29 PolarHBondContact O-N 3.07Å; A29-G31 PolarHBondContact O-N 3.3Å
30G30.2Very low37.7Very low86 Ų86128.7 Ų128.789%0.88781%0.806SS**  trans-86.481170.700000111P28P28-G30 PolarHBondContact O-N 3.04Å
31G30.2Very low38Very low64 Ų64125 Ų12566%0.6680%0.8SS**PPolyproline II helixtrans-103.7122.2165.500000109.3A29 P33A29-G31 PolarHBondContact O-N 3.3Å; G31-P33 WeakPolarHBondContact O-CD 3.46Å
32Y40Very low38Very low238 Ų238126.2 Ų126.293%0.93381%0.805SS**PPolyproline II helixtrans-77.5127168.6-91-94.4000110
33P37.4Very low37.7Very low119 Ų119124.6 Ų124.677%0.77380%0.798SS**PPolyproline II helixtrans-103.7124153.29.911.2000108.8G31G31-P33 WeakPolarHBondContact O-CD 3.46Å
34G34.6Very low37.2Very low82 Ų82130 Ų13085%0.84581%0.811SS**PPolyproline II helixtrans-66.8144.216800000111.2
35D32.6Very low37Very low137 Ų137131.5 Ų131.573%0.73381%0.812SS**  trans-124129.2161.1-167.3-55.9000108.7S37D35-S37 PolarHBondContact O-N 3.37Å
36P42.6Very low36.8Very low124 Ų124129.5 Ų129.581%0.80581%0.813SS**  trans-88.397-177.134.5-32.4000111.8
37S40.5Very low36.4Very low91 Ų91127.2 Ų127.264%0.63681%0.812SS**  trans-159101.1159.550.80000112D35D35-S37 PolarHBondContact O-N 3.37Å
38Q37.9Very low35.9Very low195 Ų195129.1 Ų129.191%0.91181%0.812SS**  trans175.9128.2132.1-94163.444.800111.2
39A41.1Very low35.8Very low96 Ų96132.4 Ų132.479%0.79382%0.816SS**PPolyproline II helixtrans-78.7148.8-177.400000112.5
40P45Very low35.7Very low118 Ų118135.8 Ų135.877%0.76681%0.814SS**PPolyproline II helixtrans-85.5153.5160.532.1-28.9000111.8
41P45.3Very low35.9Very low125 Ų125139 Ų13981%0.81281%0.811SS**PPolyproline II helixtrans-76.6157.3-169.130.2-34.6000114.2
42P35.3Very low36.1Very low133 Ų133145.1 Ų145.186%0.86482%0.823SS**PPolyproline II helixtrans-87.7137.1-176.832.9-30.9000112.8
43G33.4Very low36Very low66 Ų66139 Ų13968%0.6881%0.812SS**  trans159.890.816400000114.8
44F30Very low35.8Very low220 Ų220139.5 Ų139.597%0.96582%0.816SS**  162.2132116.4-101.6-90.6000110.6
45N32.2Very low36.1Very low157 Ų157142.1 Ų142.184%0.8482%0.815SS**  trans-85.3147.6-167.6-152.50.7000111.4
46M33.4Very low36.2Very low181 Ų181144.3 Ų144.389%0.89282%0.823SS**  trans-62141.6168.7-97.2-170.3-173.200111.2
47G31.3Very low35.9Very low76 Ų76149.5 Ų149.578%0.78483%0.828SS**  trans-145.8113.5165.900000110.9
48H32Very low35.7Very low176 Ų176153.6 Ų153.682%0.81584%0.837SS**  trans-58.2143.7176.3-75.8-57.9000113.7
49H33.3Very low35.8Very low196 Ų196150.2 Ų150.291%0.90783%0.832SS**  trans-142.9127.3141.8-89.3-80.5000110.8
50Q31.9Very low35.9Very low171 Ų171148.7 Ų148.780%0.79983%0.826SS**  trans-65150.1171.9-74.3162.5-61.900111.3
51D34.4Very low35.6Very low153 Ų153149.2 Ų149.282%0.81883%0.829SS**  158102.4127-80.8-33.3000111.1
52Q34Very low35.8Very low193 Ų193147.9 Ų147.990%0.90283%0.828SS**  trans-156.2142.3145.2-76.2-153.2-11.900111.8
53P38Very low36.1Very low110 Ų110147.6 Ų147.671%0.71483%0.827SS**PPolyproline II helixtrans-79.9167.4-169.832.6-36.1000114.7
54P34.2Very low36.6Very low130 Ų130147.5 Ų147.584%0.84483%0.826SS**PPolyproline II helixtrans-77.7127.1-167.130.8-33.6000112.5
55V39.3Very low37.2Very low137 Ų137143.7 Ų143.783%0.8382%0.823SS**PPolyproline II helixtrans-90.6121.3169.5-176.40000108.8
56M35.3Very low37.7Very low183 Ų183139.3 Ų139.390%0.90182%0.815SS**PPolyproline II helixtrans-62132.6176.4-66.4-165.6-173.900111.3
57Y36Very low38.2Very low232 Ų232136.7 Ų136.791%0.9181%0.811SS**PPolyproline II helixtrans-73.6123168.4-105.1-98.4000110
58Q37.3Very low39Very low178 Ų178140.3 Ų140.383%0.83281%0.813SS**  trans-105.6125.4164.4-168.1171.1-1100108.5G60Q58-G60 PolarHBondContact O-N 3.31Å
59P39.6Very low39.5Very low123 Ų123142.5 Ų142.580%0.79982%0.816SS**PPolyproline II helixtrans-70.2119.8177.5-14.127.7000110.7
60G42.6Very low39.9Very low65 Ų65136.4 Ų136.467%0.6781%0.806SS**PPolyproline II helixtrans-77.9153.3169.100000111.9Q58Q58-G60 PolarHBondContact O-N 3.31Å
61P39.7Very low40.3Very low129 Ų129132.1 Ų132.184%0.83881%0.807SS**PPolyproline II helixtrans-71.2136.6-17427.3-31.6000112.3
62A48.3Very low40.7Very low96 Ų96133.2 Ų133.279%0.79381%0.807SS**PPolyproline II helixtrans-64.6134.6177.300000112
63P42.2Very low41.3Very low127 Ų127129.8 Ų129.883%0.82580%0.802SS**PPolyproline II helixtrans-76.6128.9168.6-8.424.9000110.4
64G44.3Very low41.7Very low64 Ų64133.5 Ų133.566%0.6681%0.812SS**PPolyproline II helixtrans-67.6169.5173.200000113.6G66G64-G66 PolarHBondContact O-N 3.13Å
65P42.2Very low42.3Very low141 Ų141130.2 Ų130.292%0.91680%0.801SS**PPolyproline II helixtrans-72.2118-17127.5-31.3000111.7
66G42.6Very low42.6Very low64 Ų64132.7 Ų132.766%0.6681%0.806SS**PPolyproline II helixtrans-83.9157.3167.800000111.8G64G64-G66 PolarHBondContact O-N 3.13Å
67P44.8Very low43.2Very low127 Ų127129 Ų12983%0.82580%0.798SS**PPolyproline II helixtrans-75.4143-1743.911.1000112.5Y69P67-Y69 PolarHBondContact O-N 3.39Å
68D47.2Very low44Very low152 Ų152123.7 Ų123.781%0.81379%0.793SS**PPolyproline II helixtrans-56.8120.1173.4-166.413.1000111.7
69Y42.6Very low45.1Very low222 Ų222119.5 Ų119.587%0.87179%0.788SS**  trans-139.3107.8164.7-109.2-87000109P67 G71P67-Y69 PolarHBondContact O-N 3.39Å; Y69-G71 PolarHBondContact O-N 2.79Å
70G42.3Very low45.9Very low68 Ų68119.6 Ų119.670%0.70179%0.789SS**  trans-54.2122179.300000112.7Q72G70-Q72 PolarHBondContact O-N 3.48Å
71G38.6Very low46.9Very low80 Ų80119.6 Ų119.683%0.82578%0.783SS**  trans-69.6112.4173.600000111.2Y69Y69-G71 PolarHBondContact O-N 2.79Å
72Q44.4Very low48.2Very low177 Ų177116.3 Ų116.383%0.82776%0.761SS**  trans-69.7147156.3-68-104.4-54.900108.6G70 M74G70-Q72 PolarHBondContact O-N 3.48Å; Q72-M74 PolarHBondContact O-N 3.28Å; Q72-M74 VanDerWaalsContact O-N 3.15Å
73P46.7Very low49.5Very low121 Ų121119.1 Ų119.179%0.78677%0.768SS**  trans-64120.1177.8-7.321.3000108.9G75P73-G75 PolarHBondContact O-N 3.21Å
74M46.5Very low51.4Low187 Ų187116.1 Ų116.192%0.92176%0.761SS**  trans-53.3106.9172.4-81.8-86-123.700109.2Q72 M76Q72-M74 PolarHBondContact O-N 3.28Å; Q72-M74 VanDerWaalsContact O-N 3.15Å; M74-M76 PolarHBondContact O-N 3.27Å
75G45.9Very low53.6Low61 Ų61114.5 Ų114.563%0.62974%0.738SS**  trans-59.2125.1167.500000108.7P73 S77P73-G75 PolarHBondContact O-N 3.21Å; G75-S77 PolarHBondContact O-N 2.92Å
76M45.6Very low56Low189 Ų189108.4 Ų108.493%0.93170%0.698SS**  trans-50.7109.9170.1-133.683.9179.200107.6M74M74-M76 PolarHBondContact O-N 3.27Å
77S47.8Very low58.3Low105 Ų105109.4 Ų109.473%0.73469%0.693SS**PPolyproline II helixtrans-62.4133.9173-64.30000107.9G75 A79G75-S77 PolarHBondContact O-N 2.92Å; S77-A79 PolarHBondContact O-N 3.21Å
78P53.9Low60.5Low122 Ų122103.8 Ų103.879%0.79266%0.658SS**PPolyproline II helixtrans-58137.917622.4-30000109
79A58.9Low62.7Low89 Ų8996.5 Ų96.574%0.73662%0.619SS**PPolyproline II helixtrans-51.3140.4178.800000110.3S77 A81S77-A79 PolarHBondContact O-N 3.21Å; A79-A81 PolarHBondContact O-N 2.89Å
80P57.9Low65.2Low126 Ų12688.8 Ų88.882%0.81859%0.591SS**PPolyproline II helixtrans-58.8129.4179.721.9-30.5000109.8
81A62.1Low67.6Low65 Ų6589.4 Ų89.454%0.53757%0.573SS.*PPolyproline II helixtrans-57.6141.2176.800000110.1A79 V83A79-A81 PolarHBondContact O-N 2.89Å; A81-V83 PolarHBondContact O-N 3.1Å
82P68.5Low70.3Confident59 Ų5985.6 Ų85.638%0.38353%0.533SS..PPolyproline II helixtrans-55.3128.3177.3-22.331.7000111G84 V85P82-G84 PolarHBondContact O-N 3.28Å; P82-V85 HydrophobicContact CB-CB 4.28Å; P82-V85 HydrophobicContact CB-CG2 3.81Å; P82-V85 PolarHBondContact O-N 2.98Å
83V73.8Confident72.6Confident155 Ų15579.5 Ų79.594%0.93951%0.508SS*.THydrogen-bonded Turntrans-59.3126.9-177.7-179.50000109.8A81A81-V83 PolarHBondContact O-N 3.1Å
84G82.5Confident74.9Confident65 Ų6580.5 Ų80.567%0.6750%0.502SS*.THydrogen-bonded Turntrans86.6-1177.200000115.8P82P82-G84 PolarHBondContact O-N 3.28Å
85V91Very high77.1Confident29 Ų2972 Ų7218%0.17646%0.461CS..PPolyproline II helixtrans-88.6127.9173.51780000110P82 L89 E90 T93 V277P82-V85 HydrophobicContact CB-CB 4.28Å; P82-V85 HydrophobicContact CB-CG2 3.81Å; P82-V85 PolarHBondContact O-N 2.98Å; V85-L89 HydrophobicContact CG1-CB 4.25Å; V85-E90 HydrophobicContact CG1-CG 4.33Å; V85-T93 HydrophobicContact CG2-CG2 3.99Å; V85-V277 HydrophobicContact CG1-CB 4.42Å; V85-V277 HydrophobicContact CG1-CG1 3.95Å; V85-V277 HydrophobicContact CG1-CG2 4.45Å; V85-V277 HydrophobicContact CG2-CG2 4.24Å
86P91.5Very high79.4Confident14 Ų1472.9 Ų72.99%0.09145%0.451CS..PPolyproline II helixtrans-60.3142.6176-23.834000112G88 L89 A187 V193 K278P86-G88 PolarHBondContact O-N 2.83Å; P86-L89 HydrophobicContact CB-CD1 4.28Å; P86-L89 HydrophobicContact CB-CD2 4.16Å; P86-L89 HydrophobicContact CG-CD2 4.18Å; P86-L89 WeakPolarHBondContact O-CB 3.22Å; P86-L89 PolarHBondContact O-N 2.85Å; P86-L89 VanDerWaalsContact O-N 3.12Å; P86-A187 HydrophobicContact CB-CB 4.19Å; P86-A187 HydrophobicContact CG-CB 4.44Å; P86-V193 HydrophobicContact CG-CG1 4.43Å; P86-K278 HydrophobicContact CG-CG 4.07Å
87P91.4Very high81.7Confident85 Ų8566.4 Ų66.455%0.55242%0.418SS*.THydrogen-bonded Turntrans-56.2133.1-179.6-2634.5000112.7L89 E90P87-L89 VanDerWaalsContact C-N 3.32Å; P87-E90 WeakPolarHBondContact CA-OE1 3.09Å
88G91.1Very high83.9Confident8 Ų861.4 Ų61.48%0.08238%0.383CS..THydrogen-bonded Turntrans85.1-1.3-179.700000114.7P86 E90 Y130P86-G88 PolarHBondContact O-N 2.83Å; G88-E90 WeakPolarHBondContact CA-OE2 3.43Å; G88-E90 VanDerWaalsContact N-CD 3.29Å; G88-E90 PolarHBondContact N-OE1 3.34Å; G88-E90 PolarHBondContact N-OE2 2.93Å; G88-Y130 WeakPolarHBondContact O-CE1 3.34Å; G88-Y130 PolarHBondContact O-OH 2.83Å
89L94.3Very high85.8Confident0 Ų057.5 Ų57.50%036%0.356CS..  trans-104.64.4174.8-75.664.5000112.3V85 P86 P87 Y91 L92 V162 I163 A187 V277 A281V85-L89 HydrophobicContact CG1-CB 4.25Å; P86-L89 HydrophobicContact CB-CD1 4.28Å; P86-L89 HydrophobicContact CB-CD2 4.16Å; P86-L89 HydrophobicContact CG-CD2 4.18Å; P86-L89 WeakPolarHBondContact O-CB 3.22Å; P86-L89 PolarHBondContact O-N 2.85Å; P86-L89 VanDerWaalsContact O-N 3.12Å; P87-L89 VanDerWaalsContact C-N 3.32Å; L89-Y91 PolarHBondContact O-N 3.28Å; L89-L92 HydrophobicContact CB-CD1 4.16Å; L89-L92 HydrophobicContact CD2-CD1 4.36Å; L89-L92 HydrophobicContact CG-CD1 4.09Å; L89-L92 VanDerWaalsContact O-CB 3.25Å; L89-L92 WeakPolarHBondContact O-CB 3.31Å; L89-L92 PolarHBondContact O-N 2.89Å; L89-V162 HydrophobicContact CD1-CB 4.03Å; L89-I163 HydrophobicContact CD1-CD1 4.42Å; L89-I163 HydrophobicContact CD1-CG1 4.01Å; L89-I163 HydrophobicContact CD2-CD1 4.29Å; L89-I163 HydrophobicContact CD2-CG1 4.32Å; L89-I163 HydrophobicContact CG-CD1 4.28Å; L89-I163 HydrophobicContact CG-CG1 4.35Å; L89-A187 HydrophobicContact CD1-CB 4.15Å; L89-A187 HydrophobicContact CD2-CB 3.79Å; L89-V277 HydrophobicContact CB-CG1 3.57Å; L89-V277 HydrophobicContact CD2-CG1 4.02Å; L89-V277 HydrophobicContact CG-CG1 4.38Å; L89-A281 HydrophobicContact CD2-CB 3.85Å
90E94.1Very high87.3Confident60 Ų6053.3 Ų53.328%0.2832%0.321SS..G310 helixtrans-59-35.5-174.2-56.882.2177.700111.7V85 P87 G88 L92 T93V85-E90 HydrophobicContact CG1-CG 4.33Å; P87-E90 WeakPolarHBondContact CA-OE1 3.09Å; G88-E90 WeakPolarHBondContact CA-OE2 3.43Å; G88-E90 VanDerWaalsContact N-CD 3.29Å; G88-E90 PolarHBondContact N-OE1 3.34Å; G88-E90 PolarHBondContact N-OE2 2.93Å; E90-L92 PolarHBondContact O-N 3.31Å; E90-T93 WeakPolarHBondContact O-CB 3.34Å; E90-T93 WeakPolarHBondContact O-CG2 3.19Å; E90-T93 PolarHBondContact O-N 2.94Å; E90-T93 PolarHBondContact O-OG1 2.64Å
91Y93.4Very high88.8Confident81 Ų8148.9 Ų48.932%0.31829%0.289SS..G310 helixtrans-60.5-28.7177.1-167-92.4000112.7L89 T93 Q94 I95 N123 I129L89-Y91 PolarHBondContact O-N 3.28Å; Y91-T93 PolarHBondContact O-N 3.4Å; Y91-Q94 PolarHBondContact O-N 2.91Å; Y91-I95 HydrophobicContact CD1-CD1 4.23Å; Y91-I95 HydrophobicContact CD1-CG2 4.14Å; Y91-I95 HydrophobicContact CE1-CD1 4.27Å; Y91-I95 HydrophobicContact CE1-CG2 3.52Å; Y91-N123 HydrophobicContact CE1-CB 4.36Å; Y91-N123 PolarHBondContact OH-ND2 3.39Å; Y91-I129 HydrophobicContact CD1-CB 4.21Å; Y91-I129 HydrophobicContact CD1-CD1 4.35Å; Y91-I129 HydrophobicContact CD1-CG2 3.73Å; Y91-I129 HydrophobicContact CE1-CB 4.29Å; Y91-I129 HydrophobicContact CE1-CD1 4.47Å; Y91-I129 HydrophobicContact CE1-CG2 3.34Å
92L94.4Very high89.7Confident0 Ų048 Ų480%027%0.274CS..G310 helixtrans-67.2-16177.9-58.8-177.7000112.9L89 E90 Q94 I95 I98 Y130 V277 K280 M284L89-L92 HydrophobicContact CB-CD1 4.16Å; L89-L92 HydrophobicContact CD2-CD1 4.36Å; L89-L92 HydrophobicContact CG-CD1 4.09Å; L89-L92 VanDerWaalsContact O-CB 3.25Å; L89-L92 WeakPolarHBondContact O-CB 3.31Å; L89-L92 PolarHBondContact O-N 2.89Å; E90-L92 PolarHBondContact O-N 3.31Å; L92-Q94 PolarHBondContact O-N 2.7Å; L92-I95 HydrophobicContact CD2-CD1 3.69Å; L92-I95 HydrophobicContact CD2-CG1 4.28Å; L92-I98 HydrophobicContact CD2-CD1 3.89Å; L92-Y130 HydrophobicContact CD2-CE2 3.89Å; L92-Y130 HydrophobicContact CG-CE2 4.39Å; L92-V277 HydrophobicContact CB-CG1 3.94Å; L92-V277 HydrophobicContact CB-CG2 4.41Å; L92-V277 HydrophobicContact CD1-CG1 4.16Å; L92-K280 HydrophobicContact CB-CD 4.26Å; L92-K280 HydrophobicContact CD1-CB 4.4Å; L92-K280 WeakPolarHBondContact O-CD 3.49Å; L92-K280 PolarHBondContact O-NZ 3.31Å; L92-M284 HydrophobicContact CD1-CE 3.69Å; L92-M284 HydrophobicContact CD2-CE 4.46Å
93T94.2Very high90.2Very high49 Ų4949.6 Ų49.630%0.30128%0.275SS..G310 helixtrans-69.9-14.6172.664.60000113V85 E90 Y91 M273 V277V85-T93 HydrophobicContact CG2-CG2 3.99Å; E90-T93 WeakPolarHBondContact O-CB 3.34Å; E90-T93 WeakPolarHBondContact O-CG2 3.19Å; E90-T93 PolarHBondContact O-N 2.94Å; E90-T93 PolarHBondContact O-OG1 2.64Å; Y91-T93 PolarHBondContact O-N 3.4Å; T93-M273 WeakPolarHBondContact O-CE 3.5Å; T93-V277 HydrophobicContact CG2-CG2 3.48Å; T93-V277 VanDerWaalsContact CG2-CG2 3.48Å
94Q94.2Very high89.9Confident141 Ų14147.2 Ų47.266%0.65926%0.26SS*.G310 helixtrans-115.93.6-171.6-57.6179.313.200113.7Y91 L92 M273Y91-Q94 PolarHBondContact O-N 2.91Å; L92-Q94 PolarHBondContact O-N 2.7Å; Q94-M273 VanDerWaalsContact C-CE 3.49Å
95I93.2Very high88.8Confident9 Ų946.9 Ų46.95%0.04624%0.242CC..  trans-127.2152.7175.967.9-179.8000111.8Y91 L92 I98 N123 I129 F271 M273 K280Y91-I95 HydrophobicContact CD1-CD1 4.23Å; Y91-I95 HydrophobicContact CD1-CG2 4.14Å; Y91-I95 HydrophobicContact CE1-CD1 4.27Å; Y91-I95 HydrophobicContact CE1-CG2 3.52Å; L92-I95 HydrophobicContact CD2-CD1 3.69Å; L92-I95 HydrophobicContact CD2-CG1 4.28Å; I95-I98 HydrophobicContact CD1-CD1 4.27Å; I95-I98 HydrophobicContact CD1-CG1 3.71Å; I95-N123 HydrophobicContact CG2-CB 4.43Å; I95-I129 HydrophobicContact CD1-CD1 3.8Å; I95-F271 WeakPolarHBondContact O-CE2 3.07Å; I95-M273 VanDerWaalsContact C-CE 3.49Å; I95-M273 VanDerWaalsContact N-CE 3.32Å; I95-M273 WeakPolarHBondContact O-CE 3.43Å; I95-K280 PolarHBondContact O-NZ 3.2Å
96D93.9Very high86.9Confident80 Ų8051.7 Ų51.743%0.42827%0.265SS..SBendtrans-115.3-6173.360.4-9.1000112.1Q270 F271 M273D96-Q270 WeakPolarHBondContact O-CA 3.42Å; D96-F271 WeakPolarHBondContact CB-O 3.42Å; D96-F271 WeakPolarHBondContact O-CD2 3.18Å; D96-F271 PolarHBondContact O-N 3.27Å; D96-F271 VanDerWaalsContact O-O 3.08Å; D96-M273 HydrophobicContact CB-CB 4.34Å; D96-M273 HydrophobicContact CB-SD 4.44Å
97Q93.9Very high84.7Confident52 Ų5256 Ų5624%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-137.8139.3-177.9-172.3178.344.800112.5L99 I269 Q270Q97-L99 HydrophobicContact CG-CD2 4.36Å; Q97-I269 CarbonylContact C-O 3.54Å; Q97-I269 VanDerWaalsContact CA-O 3.26Å; Q97-I269 WeakPolarHBondContact CA-O 3.25Å; Q97-Q270 HydrophobicContact CG-CG 4.05Å
98I94.3Very high82.8Confident0 Ų054.4 Ų54.40%027%0.272CS..EExtended strand (participates in β ladder)trans-127.5138174.2-63.1176.3000108.9L92 I95 I100 I121 G268 I269 F271 M284L92-I98 HydrophobicContact CD2-CD1 3.89Å; I95-I98 HydrophobicContact CD1-CD1 4.27Å; I95-I98 HydrophobicContact CD1-CG1 3.71Å; I98-I100 HydrophobicContact CG2-CG1 4.17Å; I98-I121 HydrophobicContact CG2-CG2 3.32Å; I98-G268 WeakPolarHBondContact O-CA 3.22Å; I98-I269 HydrophobicContact CB-CB 4.3Å; I98-I269 PolarHBondContact N-O 3.02Å; I98-I269 PolarHBondContact O-N 2.85Å; I98-F271 HydrophobicContact CD1-CE1 3.93Å; I98-F271 HydrophobicContact CD1-CZ 3.81Å; I98-F271 HydrophobicContact CG1-CE1 4.22Å; I98-F271 HydrophobicContact CG1-CZ 3.95Å; I98-M284 HydrophobicContact CD1-CE 4.38Å; I98-M284 HydrophobicContact CD1-CG 3.66Å; I98-M284 HydrophobicContact CD1-SD 3.6Å
99L92.8Very high80.8Confident40 Ų4058 Ų5821%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-114.2129.5173.3-54.3178.3000108.9Q97 I121 K122 N123 F267Q97-L99 HydrophobicContact CG-CD2 4.36Å; L99-I121 CarbonylContact O-C 3.56Å; L99-I121 WeakPolarHBondContact O-CA 3.35Å; L99-K122 HydrophobicContact CB-CB 4.28Å; L99-K122 PolarHBondContact N-O 3.21Å; L99-K122 PolarHBondContact O-N 3.41Å; L99-N123 WeakPolarHBondContact CD1-O 3.47Å; L99-F267 CarbonylContact C-O 3.55Å; L99-F267 WeakPolarHBondContact CA-O 3.36Å
100I91.7Very high78.3Confident1 Ų166.3 Ų66.31%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-113.6119.8177.6-57.7175.8000107.8I98 Y119 I121 N266 F267 I269 C287 F288I98-I100 HydrophobicContact CG2-CG1 4.17Å; I100-Y119 HydrophobicContact CG2-CD1 3.94Å; I100-Y119 HydrophobicContact CG2-CG 4.3Å; I100-I121 HydrophobicContact CG1-CG1 4.38Å; I100-I121 HydrophobicContact CG1-CG2 4.45Å; I100-N266 WeakPolarHBondContact O-CA 2.91Å; I100-F267 HydrophobicContact CB-CB 4.22Å; I100-F267 PolarHBondContact N-O 3.4Å; I100-F267 PolarHBondContact O-N 2.93Å; I100-I269 HydrophobicContact CD1-CD1 3.96Å; I100-C287 HydrophobicContact CD1-CB 4.15Å; I100-F288 HydrophobicContact CD1-CD2 4.44Å; I100-F288 HydrophobicContact CD1-CE2 3.88Å; I100-F288 HydrophobicContact CD1-CZ 3.98Å; I100-F288 HydrophobicContact CG2-CE1 3.93Å; I100-F288 HydrophobicContact CG2-CZ 3.77Å
101H87.4Confident76Confident33 Ų3368.4 Ų68.415%0.15335%0.35CS..EExtended strand (participates in β ladder)trans-113.5120.6-178.1-68.7-114.2000109.2Y119 E120 N266H101-Y119 CarbonylContact O-C 3.5Å; H101-Y119 VanDerWaalsContact O-CA 3.22Å; H101-Y119 WeakPolarHBondContact O-CA 3.48Å; H101-E120 HydrophobicContact CB-CB 4.48Å; H101-E120 PolarHBondContact N-O 3.36Å; H101-E120 PolarHBondContact O-N 2.86Å; H101-N266 PolarHBondContact CE1-OD1 3.31Å; H101-N266 PolarHBondContact ND1-OD1 2.95Å
102Q82.9Confident73.9Confident47 Ų4768 Ų6822%0.2237%0.37CS..EExtended strand (participates in β ladder)trans-72.2134.6172.2-169.2173.96.700110.5N117 Y119 T264Q102-N117 PolarHBondContact NE2-OD1 2.94Å; Q102-Y119 HydrophobicContact CB-CD1 3.76Å; Q102-Y119 HydrophobicContact CB-CE1 3.75Å; Q102-Y119 HydrophobicContact CG-CD1 4Å; Q102-Y119 HydrophobicContact CG-CE1 3.68Å; Q102-T264 WeakPolarHBondContact O-CG2 3.39Å
103K78.3Confident71.6Confident93 Ų9375.7 Ų75.740%0.40440%0.404SS..EExtended strand (participates in β ladder)trans-88.8110169.1-76.5-175.4158.2165.20108.7E105 Q118 E120K103-E105 PolarHBondContact O-N 3.12Å; K103-Q118 HydrophobicContact CB-CB 4.27Å; K103-Q118 WeakPolarHBondContact CB-O 3.21Å; K103-Q118 PolarHBondContact N-O 3.17Å; K103-E120 HydrophobicContact CD-CG 4.15Å; K103-E120 VanDerWaalsContact CE-CG 3.46Å; K103-E120 WeakPolarHBondContact CE-OE1 3.43Å; K103-E120 HydrophobicContact CG-CG 4.32Å; K103-E120 IonicContact NZ-OE1 3.66Å; K103-E120 PolarHBondContact NZ-OE1 3.45Å
104V66.4Low69.6Low104 Ų10478.1 Ų78.163%0.6341%0.412SS*.  trans-77107.9166.9-173.40000107.3L106V104-L106 PolarHBondContact O-N 3.19Å
105E59.5Low67.8Low59 Ų5973.3 Ų73.328%0.27639%0.392SS..  trans-78112.9173.7-71.5-169.1162.900108.7K103 L107 E108 T115 Q118K103-E105 PolarHBondContact O-N 3.12Å; E105-L107 PolarHBondContact O-N 2.61Å; E105-E108 PolarHBondContact O-N 3.19Å; E105-T115 VanDerWaalsContact OE2-CB 3.26Å; E105-T115 WeakPolarHBondContact OE2-CB 3.39Å; E105-T115 PolarHBondContact OE2-OG1 3.04Å; E105-Q118 PolarHBondContact OE1-NE2 2.98Å
106L51.1Low66.6Low129 Ų12975.2 Ų75.268%0.67540%0.403SS*.Hα-helixtrans-52.5-23.4179.5-74.1158.6000113.4V104 E108 A109 F110V104-L106 PolarHBondContact O-N 3.19Å; L106-E108 VanDerWaalsContact C-N 3.31Å; L106-E108 PolarHBondContact O-N 2.64Å; L106-A109 PolarHBondContact O-N 3.2Å; L106-F110 HydrophobicContact CB-CD2 4.47Å; L106-F110 HydrophobicContact CB-CE2 4.44Å; L106-F110 WeakPolarHBondContact O-CD2 3.43Å; L106-F110 PolarHBondContact O-N 2.88Å
107L46.8Very low65.8Low105 Ų10572.2 Ų72.255%0.5539%0.386SS..Hα-helixtrans-61.9-32.4175.6-81.5150.1000113.2E105 A109 F110 I111E105-L107 PolarHBondContact O-N 2.61Å; L107-A109 VanDerWaalsContact C-N 3.3Å; L107-A109 PolarHBondContact O-N 2.93Å; L107-F110 PolarHBondContact O-N 2.92Å; L107-I111 HydrophobicContact CB-CD1 4.01Å; L107-I111 HydrophobicContact CD2-CD1 3.29Å; L107-I111 HydrophobicContact CD2-CG1 4.1Å; L107-I111 HydrophobicContact CG-CD1 4.26Å; L107-I111 WeakPolarHBondContact O-CG1 3.41Å; L107-I111 PolarHBondContact O-N 3.18Å
108E51.3Low65.4Low52 Ų5271.9 Ų71.924%0.24339%0.385CS..Hα-helixtrans-63.7-39174.7-59.5-172.313300111.4E105 L106 F110 G112 T115E105-E108 PolarHBondContact O-N 3.19Å; L106-E108 VanDerWaalsContact C-N 3.31Å; L106-E108 PolarHBondContact O-N 2.64Å; E108-F110 VanDerWaalsContact C-N 3.34Å; E108-F110 PolarHBondContact O-N 3.45Å; E108-G112 PolarHBondContact O-N 2.77Å; E108-T115 HydrophobicContact CG-CG2 4.14Å; E108-T115 WeakPolarHBondContact CG-OG1 3.37Å; E108-T115 WeakPolarHBondContact OE1-CA 3.38Å; E108-T115 PolarHBondContact OE1-N 3.47Å; E108-T115 VanDerWaalsContact OE1-O 3.07Å; E108-T115 PolarHBondContact OE1-OG1 3.36Å
109A49.3Very low65.1Low82 Ų8272.1 Ų72.168%0.67839%0.386SS*.Hα-helixtrans-71.7-26-179.900000113.3L106 L107L106-A109 PolarHBondContact O-N 3.2Å; L107-A109 VanDerWaalsContact C-N 3.3Å; L107-A109 PolarHBondContact O-N 2.93Å
110F41.4Very low65.1Low175 Ų17571.9 Ų71.977%0.76838%0.384SS*.Hα-helixtrans-97.5-25.7-177.7-76.1-70.6000114.5L106 L107 E108L106-F110 HydrophobicContact CB-CD2 4.47Å; L106-F110 HydrophobicContact CB-CE2 4.44Å; L106-F110 WeakPolarHBondContact O-CD2 3.43Å; L106-F110 PolarHBondContact O-N 2.88Å; L107-F110 PolarHBondContact O-N 2.92Å; E108-F110 VanDerWaalsContact C-N 3.34Å; E108-F110 PolarHBondContact O-N 3.45Å
111I46.7Very low65.2Low105 Ų10571.9 Ų71.954%0.53838%0.383SS..Hα-helixtrans-118.9-6-171.9-24.1156.7000113.5L107 F113L107-I111 HydrophobicContact CB-CD1 4.01Å; L107-I111 HydrophobicContact CD2-CD1 3.29Å; L107-I111 HydrophobicContact CD2-CG1 4.1Å; L107-I111 HydrophobicContact CG-CD1 4.26Å; L107-I111 WeakPolarHBondContact O-CG1 3.41Å; L107-I111 PolarHBondContact O-N 3.18Å; I111-F113 PolarHBondContact O-N 3.01Å; I111-F113 VanDerWaalsContact O-N 3.11Å
112G47.7Very low65.5Low73 Ų7372.1 Ų72.175%0.75338%0.384SS*.  trans64.114.5178.600000114.6E108E108-G112 PolarHBondContact O-N 2.77Å
113F46.8Very low65.9Low160 Ų16070 Ų7070%0.70238%0.375SS*.PPolyproline II helixtrans-102.2119.9171.1-98-91.3000108.5I111 T115I111-F113 PolarHBondContact O-N 3.01Å; I111-F113 VanDerWaalsContact O-N 3.11Å; F113-T115 PolarHBondContact O-N 2.79Å
114E52.1Low66.3Low101 Ų10168.6 Ų68.647%0.47238%0.376SS..PPolyproline II helixtrans-62.3117.1170.4-83160.3154.800110R141E114-R141 IonicContact OE1-CZ 2.62Å; E114-R141 IonicContact OE1-NE 3.01Å; E114-R141 PolarHBondContact OE1-NE 3.47Å; E114-R141 IonicContact OE1-NH1 3.12Å; E114-R141 IonicContact OE1-NH2 2.6Å; E114-R141 PolarHBondContact OE1-NH2 3.29Å; E114-R141 WeakPolarHBondContact OE2-CD 3.32Å; E114-R141 WeakPolarHBondContact OE2-CG 3.25Å; E114-R141 IonicContact OE2-CZ 2.71Å; E114-R141 VanDerWaalsContact OE2-CZ 3.26Å; E114-R141 IonicContact OE2-NE 2.98Å; E114-R141 PolarHBondContact OE2-NE 3.31Å; E114-R141 IonicContact OE2-NH1 3.9Å; E114-R141 IonicContact OE2-NH2 3.86Å
115T56.4Low67.3Low39 Ų3970 Ų7024%0.23938%0.379CS..PPolyproline II helixtrans-84.4171.8165.861.50000109.5E105 E108 F113E105-T115 VanDerWaalsContact OE2-CB 3.26Å; E105-T115 WeakPolarHBondContact OE2-CB 3.39Å; E105-T115 PolarHBondContact OE2-OG1 3.04Å; E108-T115 HydrophobicContact CG-CG2 4.14Å; E108-T115 WeakPolarHBondContact CG-OG1 3.37Å; E108-T115 WeakPolarHBondContact OE1-CA 3.38Å; E108-T115 PolarHBondContact OE1-N 3.47Å; E108-T115 VanDerWaalsContact OE1-O 3.07Å; E108-T115 PolarHBondContact OE1-OG1 3.36Å; F113-T115 PolarHBondContact O-N 2.79Å
116N67.4Low68.5Low50 Ų5069 Ų6927%0.26739%0.386SS..PPolyproline II helixtrans-78.3135.1-177.6-66.7-10.6000109.9Q118 E134 N136N116-Q118 PolarHBondContact O-N 2.83Å; N116-E134 WeakPolarHBondContact CB-O 3.45Å; N116-E134 PolarHBondContact ND2-O 2.8Å; N116-N136 WeakPolarHBondContact OD1-CB 3.17Å; N116-N136 PolarHBondContact OD1-ND2 3.48Å
117N77.1Confident70.4Confident16 Ų1668 Ų689%0.08638%0.377CS..PPolyproline II helixtrans-55.3126.3175.3-69.6-49000110.8Q102 Y119 E134 E296Q102-N117 PolarHBondContact NE2-OD1 2.94Å; N117-Y119 HydrophobicContact CB-CE2 3.59Å; N117-E134 HydrophobicContact CB-CB 4.2Å; N117-E134 WeakPolarHBondContact CB-OE2 3.34Å; N117-E134 PolarHBondContact ND2-OE2 3.41Å; N117-E134 PolarHBondContact O-N 3.49Å; N117-E296 PolarHBondContact ND2-OE1 3.03Å; N117-E296 VanDerWaalsContact ND2-OE1 3.15Å
118Q85.3Confident72.6Confident46 Ų4667.3 Ų67.322%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-124.7140.7178-7717771.900109.4K103 E105 N116 A132 K133K103-Q118 HydrophobicContact CB-CB 4.27Å; K103-Q118 WeakPolarHBondContact CB-O 3.21Å; K103-Q118 PolarHBondContact N-O 3.17Å; E105-Q118 PolarHBondContact OE1-NE2 2.98Å; N116-Q118 PolarHBondContact O-N 2.83Å; Q118-A132 WeakPolarHBondContact CA-O 3.41Å; Q118-K133 HydrophobicContact CG-CB 4.31Å; Q118-K133 HydrophobicContact CG-CD 4.08Å; Q118-K133 HydrophobicContact CG-CG 3.94Å
119Y89.4Confident74.6Confident4 Ų465.5 Ų65.52%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-134.4144.1-177.6-52.3-103000110.7I100 H101 Q102 N117 K131 A132 M152 F288 D291I100-Y119 HydrophobicContact CG2-CD1 3.94Å; I100-Y119 HydrophobicContact CG2-CG 4.3Å; H101-Y119 CarbonylContact O-C 3.5Å; H101-Y119 VanDerWaalsContact O-CA 3.22Å; H101-Y119 WeakPolarHBondContact O-CA 3.48Å; Q102-Y119 HydrophobicContact CB-CD1 3.76Å; Q102-Y119 HydrophobicContact CB-CE1 3.75Å; Q102-Y119 HydrophobicContact CG-CD1 4Å; Q102-Y119 HydrophobicContact CG-CE1 3.68Å; N117-Y119 HydrophobicContact CB-CE2 3.59Å; Y119-K131 WeakPolarHBondContact O-CA 3.32Å; Y119-A132 HydrophobicContact CD2-CB 4.43Å; Y119-A132 PolarHBondContact N-O 2.8Å; Y119-A132 PolarHBondContact O-N 2.83Å; Y119-M152 HydrophobicContact CD2-CE 3.98Å; Y119-M152 HydrophobicContact CE2-CE 3.59Å; Y119-F288 AromaticContact CD1-CE1 3.97Å; Y119-F288 HydrophobicContact CD1-CE1 3.97Å; Y119-F288 AromaticContact CD2-CE1 3.74Å; Y119-F288 HydrophobicContact CD2-CE1 3.74Å; Y119-F288 HydrophobicContact CD2-CZ 4.44Å; Y119-F288 HydrophobicContact CE1-CE1 4.2Å; Y119-F288 HydrophobicContact CE2-CE1 4.01Å; Y119-F288 AromaticContact CG-CE1 3.72Å; Y119-F288 HydrophobicContact CG-CE1 3.72Å; Y119-F288 HydrophobicContact CG-CZ 4.28Å; Y119-D291 PolarHBondContact OH-OD2 3.11Å; Y119-D291 VanDerWaalsContact OH-OD2 3.12Å
120E92.7Very high76.9Confident36 Ų3661.9 Ų61.917%0.16833%0.331CS..EExtended strand (participates in β ladder)trans-98.9127.8165.9-64.9-169.215200109.6H101 K103 K122 K128H101-E120 HydrophobicContact CB-CB 4.48Å; H101-E120 PolarHBondContact N-O 3.36Å; H101-E120 PolarHBondContact O-N 2.86Å; K103-E120 HydrophobicContact CD-CG 4.15Å; K103-E120 VanDerWaalsContact CE-CG 3.46Å; K103-E120 WeakPolarHBondContact CE-OE1 3.43Å; K103-E120 HydrophobicContact CG-CG 4.32Å; K103-E120 IonicContact NZ-OE1 3.66Å; K103-E120 PolarHBondContact NZ-OE1 3.45Å; E120-K122 HydrophobicContact CB-CG 4.5Å; E120-K122 WeakPolarHBondContact OE2-CE 3.39Å; E120-K122 IonicContact OE2-NZ 3.1Å; E120-K122 PolarHBondContact OE2-NZ 2.98Å; E120-K128 HydrophobicContact CG-CD 4.31Å
121I94.3Very high79.5Confident0 Ų057.5 Ų57.50%031%0.311CS..EExtended strand (participates in β ladder)trans-100.9121.9173.7-51.9-174000106.9I98 L99 I100 I129 Y130 A132 I154 M284 F288I98-I121 HydrophobicContact CG2-CG2 3.32Å; L99-I121 CarbonylContact O-C 3.56Å; L99-I121 WeakPolarHBondContact O-CA 3.35Å; I100-I121 HydrophobicContact CG1-CG1 4.38Å; I100-I121 HydrophobicContact CG1-CG2 4.45Å; I121-I129 HydrophobicContact CB-CG1 4.43Å; I121-I129 HydrophobicContact CG2-CD1 4.11Å; I121-I129 HydrophobicContact CG2-CG1 4.02Å; I121-I129 VanDerWaalsContact O-CG1 3.22Å; I121-I129 WeakPolarHBondContact O-CG1 3.33Å; I121-I129 PolarHBondContact O-N 2.82Å; I121-Y130 HydrophobicContact CB-CD2 4.43Å; I121-Y130 HydrophobicContact CG2-CD2 4.17Å; I121-Y130 PolarHBondContact N-O 2.82Å; I121-Y130 PolarHBondContact O-N 3.31Å; I121-Y130 VanDerWaalsContact O-N 3.14Å; I121-A132 HydrophobicContact CD1-CB 4.33Å; I121-I154 HydrophobicContact CD1-CD1 4.1Å; I121-I154 HydrophobicContact CD1-CG1 4.33Å; I121-I154 HydrophobicContact CD1-CG2 3.86Å; I121-M284 HydrophobicContact CD1-SD 4.32Å; I121-M284 HydrophobicContact CG2-SD 4.39Å; I121-F288 HydrophobicContact CD1-CE2 4.24Å; I121-F288 HydrophobicContact CD1-CZ 4.38Å
122K93.1Very high81.6Confident39 Ų3952.6 Ų52.617%0.1729%0.287CS..EExtended strand (participates in β ladder)trans-122.6156.6-173.1-63.7173.5-178.6171.50110.8L99 E120 G126 Q127L99-K122 HydrophobicContact CB-CB 4.28Å; L99-K122 PolarHBondContact N-O 3.21Å; L99-K122 PolarHBondContact O-N 3.41Å; E120-K122 HydrophobicContact CB-CG 4.5Å; E120-K122 WeakPolarHBondContact OE2-CE 3.39Å; E120-K122 IonicContact OE2-NZ 3.1Å; E120-K122 PolarHBondContact OE2-NZ 2.98Å; K122-G126 WeakPolarHBondContact CD-O 3.29Å; K122-Q127 CarbonylContact C-O 3.54Å; K122-Q127 WeakPolarHBondContact CA-O 3.25Å; K122-Q127 WeakPolarHBondContact CB-O 3.32Å
123N91.4Very high83.6Confident3 Ų354 Ų542%0.01627%0.272CS..  trans-82-179.6166.367.88.8000111Y91 I95 L99 L125 G126 Q127 I129Y91-N123 HydrophobicContact CE1-CB 4.36Å; Y91-N123 PolarHBondContact OH-ND2 3.39Å; I95-N123 HydrophobicContact CG2-CB 4.43Å; L99-N123 WeakPolarHBondContact CD1-O 3.47Å; N123-L125 PolarHBondContact O-N 2.96Å; N123-L125 WeakPolarHBondContact OD1-CA 3.42Å; N123-L125 WeakPolarHBondContact OD1-CB 3Å; N123-L125 PolarHBondContact OD1-N 2.74Å; N123-G126 PolarHBondContact O-N 2.88Å; N123-G126 PolarHBondContact OD1-N 2.85Å; N123-Q127 PolarHBondContact N-O 2.86Å; N123-Q127 PolarHBondContact ND2-OE1 3.13Å; N123-Q127 WeakPolarHBondContact OD1-CB 3.17Å; N123-Q127 PolarHBondContact OD1-N 2.75Å; N123-Q127 PolarHBondContact OD1-O 2.77Å; N123-I129 HydrophobicContact CB-CG2 4.2Å
124S85.9Confident85.2Confident62 Ų6246.4 Ų46.443%0.43424%0.238SC..THydrogen-bonded Turntrans-60-23.1176.455.50000114.5G126S124-G126 VanDerWaalsContact C-N 3.28Å
125L86.9Confident86.3Confident133 Ų13347.6 Ų47.670%0.69624%0.242SC*.THydrogen-bonded Turntrans-84.71.7175.2-57.2176.5000113N123 Q127N123-L125 PolarHBondContact O-N 2.96Å; N123-L125 WeakPolarHBondContact OD1-CA 3.42Å; N123-L125 WeakPolarHBondContact OD1-CB 3Å; N123-L125 PolarHBondContact OD1-N 2.74Å; L125-Q127 HydrophobicContact CB-CG 4.2Å; L125-Q127 PolarHBondContact O-N 2.83Å
126G86.1Confident86.5Confident40 Ų4048.1 Ų48.141%0.41224%0.243SC..  trans75.57.4-176.800000114.3K122 N123 S124K122-G126 WeakPolarHBondContact CD-O 3.29Å; N123-G126 PolarHBondContact O-N 2.88Å; N123-G126 PolarHBondContact OD1-N 2.85Å; S124-G126 VanDerWaalsContact C-N 3.28Å
127Q89.8Confident85.5Confident108 Ų10852.4 Ų52.451%0.50527%0.267SS..  trans-77132.5177-58.6172.4-39.600109.7K122 N123 L125 I129K122-Q127 CarbonylContact C-O 3.54Å; K122-Q127 WeakPolarHBondContact CA-O 3.25Å; K122-Q127 WeakPolarHBondContact CB-O 3.32Å; N123-Q127 PolarHBondContact N-O 2.86Å; N123-Q127 PolarHBondContact ND2-OE1 3.13Å; N123-Q127 WeakPolarHBondContact OD1-CB 3.17Å; N123-Q127 PolarHBondContact OD1-N 2.75Å; N123-Q127 PolarHBondContact OD1-O 2.77Å; L125-Q127 HydrophobicContact CB-CG 4.2Å; L125-Q127 PolarHBondContact O-N 2.83Å; Q127-I129 PolarHBondContact O-N 2.98Å
128K93.2Very high83.8Confident90 Ų9058.2 Ų58.239%0.39131%0.307SS..EExtended strand (participates in β ladder)trans-70.9120.8177.9-174.7-177.569-168.80110.9E120 Y130 N157E120-K128 HydrophobicContact CG-CD 4.31Å; K128-Y130 WeakPolarHBondContact CG-O 3.33Å; K128-N157 WeakPolarHBondContact CE-OD1 3.36Å; K128-N157 PolarHBondContact O-ND2 3.13Å
129I94.8Very high81.9Confident14 Ų1461.7 Ų61.77%0.07234%0.335CS..EExtended strand (participates in β ladder)trans-105.2-35.7179.857169.6000111.4Y91 I95 I121 N123 Q127Y91-I129 HydrophobicContact CD1-CB 4.21Å; Y91-I129 HydrophobicContact CD1-CD1 4.35Å; Y91-I129 HydrophobicContact CD1-CG2 3.73Å; Y91-I129 HydrophobicContact CE1-CB 4.29Å; Y91-I129 HydrophobicContact CE1-CD1 4.47Å; Y91-I129 HydrophobicContact CE1-CG2 3.34Å; I95-I129 HydrophobicContact CD1-CD1 3.8Å; I121-I129 HydrophobicContact CB-CG1 4.43Å; I121-I129 HydrophobicContact CG2-CD1 4.11Å; I121-I129 HydrophobicContact CG2-CG1 4.02Å; I121-I129 VanDerWaalsContact O-CG1 3.22Å; I121-I129 WeakPolarHBondContact O-CG1 3.33Å; I121-I129 PolarHBondContact O-N 2.82Å; N123-I129 HydrophobicContact CB-CG2 4.2Å; Q127-I129 PolarHBondContact O-N 2.98Å
130Y96.5Very high79.7Confident6 Ų664 Ų642%0.02435%0.349CS..EExtended strand (participates in β ladder)trans-142.7169.1174.4-50.7-76.7000111.3G88 L92 I121 K128 I154 K155 D156 V162G88-Y130 WeakPolarHBondContact O-CE1 3.34Å; G88-Y130 PolarHBondContact O-OH 2.83Å; L92-Y130 HydrophobicContact CD2-CE2 3.89Å; L92-Y130 HydrophobicContact CG-CE2 4.39Å; I121-Y130 HydrophobicContact CB-CD2 4.43Å; I121-Y130 HydrophobicContact CG2-CD2 4.17Å; I121-Y130 PolarHBondContact N-O 2.82Å; I121-Y130 PolarHBondContact O-N 3.31Å; I121-Y130 VanDerWaalsContact O-N 3.14Å; K128-Y130 WeakPolarHBondContact CG-O 3.33Å; Y130-I154 HydrophobicContact CD1-CG2 4.38Å; Y130-I154 HydrophobicContact CG-CG2 4Å; Y130-K155 CarbonylContact C-O 3.43Å; Y130-K155 VanDerWaalsContact CA-O 3.25Å; Y130-K155 WeakPolarHBondContact CA-O 3.38Å; Y130-K155 WeakPolarHBondContact CB-O 3.17Å; Y130-D156 HydrophobicContact CD1-CB 4.26Å; Y130-D156 HydrophobicContact CE1-CB 4.39Å; Y130-V162 HydrophobicContact CD1-CG2 3.81Å; Y130-V162 HydrophobicContact CE1-CG2 3.87Å
131K95.1Very high77.7Confident82 Ų8266.6 Ų66.636%0.35736%0.358SS..EExtended strand (participates in β ladder)trans-125.5135.5166.762.3-173.4179.2-177.50109.5Y119 I154 K155 D159Y119-K131 WeakPolarHBondContact O-CA 3.32Å; K131-I154 CarbonylContact O-C 3.51Å; K131-I154 WeakPolarHBondContact O-CA 3.21Å; K131-K155 HydrophobicContact CG-CB 3.92Å; K131-K155 PolarHBondContact N-O 2.96Å; K131-K155 PolarHBondContact O-N 3.06Å; K131-D159 WeakPolarHBondContact CE-OD1 3.42Å; K131-D159 IonicContact NZ-OD1 3.97Å; K131-D159 PolarHBondContact NZ-OD1 3.31Å
132A92.7Very high75.1Confident3 Ų374.6 Ų74.63%0.02540%0.4CS..EExtended strand (participates in β ladder)trans-108.4138.517300000109.6Q118 Y119 I121 M152 K153 I154 F288Q118-A132 WeakPolarHBondContact CA-O 3.41Å; Y119-A132 HydrophobicContact CD2-CB 4.43Å; Y119-A132 PolarHBondContact N-O 2.8Å; Y119-A132 PolarHBondContact O-N 2.83Å; I121-A132 HydrophobicContact CD1-CB 4.33Å; A132-M152 HydrophobicContact CB-CG 4.2Å; A132-M152 HydrophobicContact CB-SD 3.82Å; A132-K153 WeakPolarHBondContact CA-O 3.42Å; A132-I154 HydrophobicContact CB-CG1 3.94Å; A132-F288 HydrophobicContact CB-CE1 4.41Å; A132-F288 HydrophobicContact CB-CE2 4.29Å; A132-F288 HydrophobicContact CB-CZ 3.72Å
133K88.3Confident72.6Confident102 Ų10278.1 Ų78.144%0.44343%0.429SS..EExtended strand (participates in β ladder)trans-135.6127.6173.7-178.1164.8-177.9161.60109.4Q118 K153Q118-K133 HydrophobicContact CG-CB 4.31Å; Q118-K133 HydrophobicContact CG-CD 4.08Å; Q118-K133 HydrophobicContact CG-CG 3.94Å; K133-K153 PolarHBondContact N-O 3.23Å; K133-K153 PolarHBondContact O-N 3.38Å
134E81.3Confident70.4Confident0 Ų080.3 Ų80.30%044%0.444CS..EExtended strand (participates in β ladder)trans-74.2138170.9-178.6163-134.400110.8N116 N117 R148 F150 M152N116-E134 WeakPolarHBondContact CB-O 3.45Å; N116-E134 PolarHBondContact ND2-O 2.8Å; N117-E134 HydrophobicContact CB-CB 4.2Å; N117-E134 WeakPolarHBondContact CB-OE2 3.34Å; N117-E134 PolarHBondContact ND2-OE2 3.41Å; N117-E134 PolarHBondContact O-N 3.49Å; E134-R148 IonicContact OE1-CZ 2.65Å; E134-R148 IonicContact OE1-NH1 2.8Å; E134-R148 PolarHBondContact OE1-NH1 2.59Å; E134-R148 IonicContact OE1-NH2 3.26Å; E134-R148 PolarHBondContact OE1-NH2 2.77Å; E134-R148 IonicContact OE2-NH1 2.89Å; E134-R148 IonicContact OE2-NH2 3.71Å; E134-R148 PolarHBondContact OE2-NH2 2.82Å; E134-F150 WeakPolarHBondContact OE1-CD2 3.3Å; E134-M152 HydrophobicContact CB-CE 4.07Å
135K74.3Confident69.1Low127 Ų12778.9 Ų78.955%0.55244%0.438SS*.  trans-96.6122.3171.3-173.5-173.1176.1-165.20108.6D151K135-D151 PolarHBondContact N-O 3.31Å
136N60.9Low67.4Low49 Ų4973.9 Ų73.926%0.26242%0.415SS..  trans-104.4137.4172.3-76.3-31.4000112.8N116N116-N136 WeakPolarHBondContact OD1-CB 3.17Å; N116-N136 PolarHBondContact OD1-ND2 3.48Å
137D47.3Very low65.9Low141 Ų14173.8 Ų73.875%0.75440%0.404SS*.  trans-85.7130.3156.1-108.6-33.1000108.2C139D137-C139 PolarHBondContact O-N 2.86Å
138C40.7Very low64.7Low137 Ų13769.5 Ų69.593%0.92638%0.384SS*.THydrogen-bonded Turntrans-65.1-4.7-166.5-1710000115.5
139C45.1Very low63.6Low119 Ų11967.3 Ų67.380%0.80438%0.38SS*.THydrogen-bonded Turntrans-121.714.3-161.1-133.70000118.2D137D137-C139 PolarHBondContact O-N 2.86Å
140T44.3Very low62.7Low53 Ų5366.9 Ų66.933%0.32538%0.378SS..  trans-139.728.5-176.844.70000116.3
141R49Very low62.2Low91 Ų9167.9 Ų67.934%0.34338%0.383SS..Hα-helixtrans-79.2-33.7169.4-158.9127.8175.1-171-3.7112.2E114E114-R141 IonicContact OE1-CZ 2.62Å; E114-R141 IonicContact OE1-NE 3.01Å; E114-R141 PolarHBondContact OE1-NE 3.47Å; E114-R141 IonicContact OE1-NH1 3.12Å; E114-R141 IonicContact OE1-NH2 2.6Å; E114-R141 PolarHBondContact OE1-NH2 3.29Å; E114-R141 WeakPolarHBondContact OE2-CD 3.32Å; E114-R141 WeakPolarHBondContact OE2-CG 3.25Å; E114-R141 IonicContact OE2-CZ 2.71Å; E114-R141 VanDerWaalsContact OE2-CZ 3.26Å; E114-R141 IonicContact OE2-NE 2.98Å; E114-R141 PolarHBondContact OE2-NE 3.31Å; E114-R141 IonicContact OE2-NH1 3.9Å; E114-R141 IonicContact OE2-NH2 3.86Å
142N40Very low62Low167 Ų16764 Ų6489%0.89337%0.366SS*.Hα-helixtrans-87.5-11.7-175.2-110.7-41.8000116.4
143C40.7Very low62.1Low114 Ų11466.9 Ų66.977%0.7738%0.378SS*.Hα-helixtrans-114.4-12.3-176.8-77.20000114.9
144C45Very low62.5Low49 Ų4962 Ų6233%0.33136%0.357SS..Hα-helixtrans-144.8-10.7-162.1-84.60000116.9S146 L147C144-S146 PolarHBondContact O-N 3.32Å; C144-S146 VanDerWaalsContact O-N 3.14Å; C144-L147 HydrophobicContact CB-CB 3.9Å; C144-L147 HydrophobicContact CB-CD1 4.36Å; C144-L147 WeakPolarHBondContact O-CA 3.16Å; C144-L147 WeakPolarHBondContact O-CB 3.45Å; C144-L147 WeakPolarHBondContact O-CD1 3.49Å; C144-L147 WeakPolarHBondContact O-CG 3.33Å; C144-L147 PolarHBondContact O-N 3.37Å
145G58.4Low63.2Low31 Ų3164.7 Ų64.732%0.3237%0.369SS..G310 helixtrans43.9-121.917800000113.4L147G145-L147 PolarHBondContact O-N 3.28Å
146S52.5Low64.1Low29 Ų2959.2 Ų59.220%0.20335%0.346CS..G310 helixtrans-67.31.5177.766.10000116.4C144 R167 F292 K297C144-S146 PolarHBondContact O-N 3.32Å; C144-S146 VanDerWaalsContact O-N 3.14Å; S146-R167 PolarHBondContact O-NH2 3.13Å; S146-F292 WeakPolarHBondContact O-CE1 3.26Å; S146-K297 WeakPolarHBondContact OG-CE 3.48Å; S146-K297 PolarHBondContact OG-NZ 2.98Å
147L54Low65.5Low37 Ų3762 Ų6219%0.19436%0.36CS..G310 helixtrans-87.2-7.5-178.3-55164.8000112.9C144 G145 F169 V172C144-L147 HydrophobicContact CB-CB 3.9Å; C144-L147 HydrophobicContact CB-CD1 4.36Å; C144-L147 WeakPolarHBondContact O-CA 3.16Å; C144-L147 WeakPolarHBondContact O-CB 3.45Å; C144-L147 WeakPolarHBondContact O-CD1 3.49Å; C144-L147 WeakPolarHBondContact O-CG 3.33Å; C144-L147 PolarHBondContact O-N 3.37Å; G145-L147 PolarHBondContact O-N 3.28Å; L147-F169 WeakPolarHBondContact O-CD1 3.26Å; L147-V172 HydrophobicContact CD1-CB 4.23Å; L147-V172 HydrophobicContact CD1-CG1 3.74Å; L147-V172 HydrophobicContact CD1-CG2 3.52Å; L147-V172 HydrophobicContact CD2-CB 4.14Å; L147-V172 HydrophobicContact CD2-CG1 3.59Å; L147-V172 HydrophobicContact CD2-CG2 4.03Å; L147-V172 HydrophobicContact CG-CG1 4.16Å; L147-V172 HydrophobicContact CG-CG2 4.41Å
148R64.3Low67.6Low18 Ų1862 Ų627%0.06836%0.358CS..SBendtrans-66.1146176.866.5-168.8-176.684.10.7111.6E134 R167 F292 E296E134-R148 IonicContact OE1-CZ 2.65Å; E134-R148 IonicContact OE1-NH1 2.8Å; E134-R148 PolarHBondContact OE1-NH1 2.59Å; E134-R148 IonicContact OE1-NH2 3.26Å; E134-R148 PolarHBondContact OE1-NH2 2.77Å; E134-R148 IonicContact OE2-NH1 2.89Å; E134-R148 IonicContact OE2-NH2 3.71Å; E134-R148 PolarHBondContact OE2-NH2 2.82Å; R148-R167 PolarHBondContact O-NH1 2.83Å; R148-F292 HydrophobicContact CG-CE2 4.03Å; R148-F292 HydrophobicContact CG-CZ 3.98Å; R148-E296 IonicContact CZ-OE2 2.87Å; R148-E296 IonicContact NH2-OE1 2.94Å; R148-E296 PolarHBondContact NH2-OE1 3.15Å; R148-E296 VanDerWaalsContact NH2-OE1 3.12Å; R148-E296 IonicContact NH2-OE2 2.62Å; R148-E296 PolarHBondContact NH2-OE2 2.95Å
149S69.7Low70Confident45 Ų4559.3 Ų59.332%0.31533%0.334SS..  trans-58.4142.2161.753.90000109.3R167 F169S149-R167 WeakPolarHBondContact CA-O 3.48Å; S149-F169 VanDerWaalsContact N-CE1 3.32Å; S149-F169 WeakPolarHBondContact OG-CE2 3.49Å; S149-F169 VanDerWaalsContact OG-CZ 3.24Å; S149-F169 WeakPolarHBondContact OG-CZ 3.41Å
150F76.9Confident72.3Confident5 Ų560 Ų602%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-114.4121.3176168.3-85000108.1E134 M152 L165 R167 M183 F288 F292E134-F150 WeakPolarHBondContact OE1-CD2 3.3Å; F150-M152 HydrophobicContact CD1-CB 4.42Å; F150-M152 HydrophobicContact CE1-CB 3.61Å; F150-M152 HydrophobicContact CE1-SD 4.49Å; F150-M152 HydrophobicContact CE2-CB 4.26Å; F150-M152 HydrophobicContact CE2-CE 3.57Å; F150-M152 HydrophobicContact CE2-SD 4.49Å; F150-M152 HydrophobicContact CZ-CB 3.53Å; F150-M152 HydrophobicContact CZ-CE 3.38Å; F150-M152 HydrophobicContact CZ-CG 4.22Å; F150-M152 HydrophobicContact CZ-SD 3.71Å; F150-L165 HydrophobicContact CE1-CB 4Å; F150-L165 HydrophobicContact CE1-CD1 4.29Å; F150-R167 HydrophobicContact CB-CB 4.03Å; F150-R167 PolarHBondContact N-O 3.4Å; F150-R167 PolarHBondContact O-N 2.91Å; F150-M183 HydrophobicContact CD1-SD 4.3Å; F150-M183 HydrophobicContact CE1-SD 4.11Å; F150-F288 HydrophobicContact CZ-CB 4.07Å; F150-F292 HydrophobicContact CB-CE2 4.31Å; F150-F292 AromaticContact CD2-CD2 3.81Å; F150-F292 HydrophobicContact CD2-CD2 3.81Å; F150-F292 HydrophobicContact CD2-CE2 4.23Å; F150-F292 HydrophobicContact CD2-CG 4.48Å; F150-F292 HydrophobicContact CE2-CD2 4.42Å; F150-F292 HydrophobicContact CG-CD2 4.47Å
151D86.7Confident74.7Confident27 Ų2760 Ų6014%0.14432%0.316CS..EExtended strand (participates in β ladder)trans-128.5108.3176.9-174.7-7.3000107.6K135 R164 L165K135-D151 PolarHBondContact N-O 3.31Å; D151-R164 IonicContact OD1-CZ 3.88Å; D151-R164 IonicContact OD1-NE 3.69Å; D151-R164 PolarHBondContact OD1-NE 2.94Å; D151-R164 IonicContact OD1-NH2 3.79Å; D151-R164 IonicContact OD2-CZ 2.71Å; D151-R164 IonicContact OD2-NE 2.71Å; D151-R164 IonicContact OD2-NH2 3.55Å; D151-R164 PolarHBondContact OD2-NH2 3.12Å; D151-L165 WeakPolarHBondContact CA-O 3.32Å
152M90.6Very high77Confident0 Ų055.9 Ų55.90%030%0.301CS..EExtended strand (participates in β ladder)trans-121.6132.7-177.7-178.5175.9-76.200110.4Y119 A132 E134 F150 L165 F288Y119-M152 HydrophobicContact CD2-CE 3.98Å; Y119-M152 HydrophobicContact CE2-CE 3.59Å; A132-M152 HydrophobicContact CB-CG 4.2Å; A132-M152 HydrophobicContact CB-SD 3.82Å; E134-M152 HydrophobicContact CB-CE 4.07Å; F150-M152 HydrophobicContact CD1-CB 4.42Å; F150-M152 HydrophobicContact CE1-CB 3.61Å; F150-M152 HydrophobicContact CE1-SD 4.49Å; F150-M152 HydrophobicContact CE2-CB 4.26Å; F150-M152 HydrophobicContact CE2-CE 3.57Å; F150-M152 HydrophobicContact CE2-SD 4.49Å; F150-M152 HydrophobicContact CZ-CB 3.53Å; F150-M152 HydrophobicContact CZ-CE 3.38Å; F150-M152 HydrophobicContact CZ-CG 4.22Å; F150-M152 HydrophobicContact CZ-SD 3.71Å; M152-L165 HydrophobicContact CB-CB 4.23Å; M152-L165 HydrophobicContact CB-CD1 4.4Å; M152-L165 PolarHBondContact N-O 2.88Å; M152-L165 PolarHBondContact O-N 2.89Å; M152-L165 HydrophobicContact SD-CD1 4.26Å; M152-F288 HydrophobicContact CE-CD1 3.85Å; M152-F288 HydrophobicContact CE-CE1 4.01Å; M152-F288 HydrophobicContact CE-CG 4.47Å; M152-F288 HydrophobicContact SD-CB 4.5Å; M152-F288 HydrophobicContact SD-CD1 3.55Å; M152-F288 VanDerWaalsContact SD-CD1 3.55Å; M152-F288 HydrophobicContact SD-CD2 3.95Å; M152-F288 HydrophobicContact SD-CE1 3.58Å; M152-F288 VanDerWaalsContact SD-CE1 3.58Å; M152-F288 HydrophobicContact SD-CE2 3.97Å; M152-F288 HydrophobicContact SD-CG 3.74Å; M152-F288 HydrophobicContact SD-CZ 3.79Å
153K94.3Very high79.8Confident64 Ų6447.9 Ų47.928%0.27826%0.258SS..EExtended strand (participates in β ladder)trans-104.8124.4178.8-64.9173.4173.4-112.60109A132 K133 E161A132-K153 WeakPolarHBondContact CA-O 3.42Å; K133-K153 PolarHBondContact N-O 3.23Å; K133-K153 PolarHBondContact O-N 3.38Å; K153-E161 HydrophobicContact CB-CG 4.3Å; K153-E161 WeakPolarHBondContact CD-OE2 3.47Å; K153-E161 HydrophobicContact CG-CG 4.44Å; K153-E161 IonicContact NZ-OE1 2.77Å; K153-E161 IonicContact NZ-OE2 3.95Å; K153-E161 PolarHBondContact NZ-OE2 3.04Å
154I96Very high82.4Confident0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-104.2124.5170.6-57.5173.7000107.6I121 Y130 K131 A132 V162 I163 L165 F288I121-I154 HydrophobicContact CD1-CD1 4.1Å; I121-I154 HydrophobicContact CD1-CG1 4.33Å; I121-I154 HydrophobicContact CD1-CG2 3.86Å; Y130-I154 HydrophobicContact CD1-CG2 4.38Å; Y130-I154 HydrophobicContact CG-CG2 4Å; K131-I154 CarbonylContact O-C 3.51Å; K131-I154 WeakPolarHBondContact O-CA 3.21Å; A132-I154 HydrophobicContact CB-CG1 3.94Å; I154-V162 HydrophobicContact CG2-CG2 4.28Å; I154-V162 WeakPolarHBondContact O-CG2 2.95Å; I154-V162 PolarHBondContact O-N 3.33Å; I154-I163 HydrophobicContact CB-CB 4.03Å; I154-I163 HydrophobicContact CD1-CB 4.19Å; I154-I163 HydrophobicContact CD1-CG2 4.14Å; I154-I163 PolarHBondContact N-O 3.14Å; I154-I163 PolarHBondContact O-N 2.92Å; I154-L165 HydrophobicContact CD1-CD1 4.17Å; I154-L165 HydrophobicContact CD1-CG 4.35Å; I154-F288 HydrophobicContact CD1-CE2 4.14Å
155K95.5Very high84.8Confident56 Ų5643.6 Ų43.624%0.24322%0.219CC..EExtended strand (participates in β ladder)trans-118.8147.6-177-59.9-174.7170.2-158.70111.7Y130 K131 D159 R160 E161Y130-K155 CarbonylContact C-O 3.43Å; Y130-K155 VanDerWaalsContact CA-O 3.25Å; Y130-K155 WeakPolarHBondContact CA-O 3.38Å; Y130-K155 WeakPolarHBondContact CB-O 3.17Å; K131-K155 HydrophobicContact CG-CB 3.92Å; K131-K155 PolarHBondContact N-O 2.96Å; K131-K155 PolarHBondContact O-N 3.06Å; K155-D159 WeakPolarHBondContact CD-OD1 3.07Å; K155-D159 IonicContact NZ-OD1 3.02Å; K155-D159 PolarHBondContact NZ-OD1 2.88Å; K155-D159 IonicContact NZ-OD2 3.55Å; K155-D159 PolarHBondContact NZ-OD2 2.84Å; K155-R160 CarbonylContact C-O 3.59Å; K155-R160 WeakPolarHBondContact CA-O 3.34Å; K155-R160 WeakPolarHBondContact CB-O 3.24Å; K155-E161 HydrophobicContact CG-CB 4.48Å
156D93.9Very high86.4Confident12 Ų1244.1 Ų44.16%0.06421%0.214CC..  trans-74.3179.4171.172.78.6000112.5Y130 M158 D159 R160 V162Y130-D156 HydrophobicContact CD1-CB 4.26Å; Y130-D156 HydrophobicContact CE1-CB 4.39Å; D156-M158 PolarHBondContact O-N 3.09Å; D156-M158 VanDerWaalsContact OD1-C 3.3Å; D156-M158 VanDerWaalsContact OD1-CA 3.29Å; D156-M158 WeakPolarHBondContact OD1-CA 3.45Å; D156-M158 WeakPolarHBondContact OD1-CB 3.38Å; D156-M158 PolarHBondContact OD1-N 2.8Å; D156-D159 PolarHBondContact O-N 2.84Å; D156-D159 PolarHBondContact OD1-N 2.93Å; D156-D159 VanDerWaalsContact OD1-N 3.15Å; D156-R160 PolarHBondContact N-O 2.94Å; D156-R160 WeakPolarHBondContact OD1-CB 3.37Å; D156-R160 PolarHBondContact OD1-N 3.07Å; D156-R160 IonicContact OD1-NE 3.23Å; D156-R160 IonicContact OD2-CZ 2.74Å; D156-R160 VanDerWaalsContact OD2-CZ 3.23Å; D156-R160 IonicContact OD2-NE 3.83Å; D156-R160 PolarHBondContact OD2-NE 3.27Å; D156-R160 IonicContact OD2-NH2 2.82Å; D156-R160 PolarHBondContact OD2-NH2 2.99Å; D156-V162 HydrophobicContact CB-CG1 3.96Å
157N90.3Very high88.1Confident107 Ų10742.9 Ų42.957%0.57221%0.205SC*.THydrogen-bonded Turntrans-66.5-14.4177.9-74.5-34000113.6K128 D159K128-N157 WeakPolarHBondContact CE-OD1 3.36Å; K128-N157 PolarHBondContact O-ND2 3.13Å; N157-D159 VanDerWaalsContact C-N 3.33Å
158M91.6Very high89.1Confident142 Ų14244.2 Ų44.270%0.722%0.216SC*.THydrogen-bonded Turntrans-92.79.8173.4-60.4-178.168.200112.7D156 R160D156-M158 PolarHBondContact O-N 3.09Å; D156-M158 VanDerWaalsContact OD1-C 3.3Å; D156-M158 VanDerWaalsContact OD1-CA 3.29Å; D156-M158 WeakPolarHBondContact OD1-CA 3.45Å; D156-M158 WeakPolarHBondContact OD1-CB 3.38Å; D156-M158 PolarHBondContact OD1-N 2.8Å; M158-R160 HydrophobicContact CB-CG 4.18Å; M158-R160 PolarHBondContact O-N 3.41Å
159D91.8Very high89.1Confident79 Ų7950.1 Ų50.142%0.42224%0.242SC..SBendtrans63.616.9-175.9-159.454.4000114.9K131 K155 D156 N157K131-D159 WeakPolarHBondContact CE-OD1 3.42Å; K131-D159 IonicContact NZ-OD1 3.97Å; K131-D159 PolarHBondContact NZ-OD1 3.31Å; K155-D159 WeakPolarHBondContact CD-OD1 3.07Å; K155-D159 IonicContact NZ-OD1 3.02Å; K155-D159 PolarHBondContact NZ-OD1 2.88Å; K155-D159 IonicContact NZ-OD2 3.55Å; K155-D159 PolarHBondContact NZ-OD2 2.84Å; D156-D159 PolarHBondContact O-N 2.84Å; D156-D159 PolarHBondContact OD1-N 2.93Å; D156-D159 VanDerWaalsContact OD1-N 3.15Å; N157-D159 VanDerWaalsContact C-N 3.33Å
160R93.4Very high88.8Confident134 Ų13451.7 Ų51.751%0.50624%0.241SC..  trans-81.3134.1173.8-57.4-178.1-60.9173.14.1109.3K155 D156 M158 V162K155-R160 CarbonylContact C-O 3.59Å; K155-R160 WeakPolarHBondContact CA-O 3.34Å; K155-R160 WeakPolarHBondContact CB-O 3.24Å; D156-R160 PolarHBondContact N-O 2.94Å; D156-R160 WeakPolarHBondContact OD1-CB 3.37Å; D156-R160 PolarHBondContact OD1-N 3.07Å; D156-R160 IonicContact OD1-NE 3.23Å; D156-R160 IonicContact OD2-CZ 2.74Å; D156-R160 VanDerWaalsContact OD2-CZ 3.23Å; D156-R160 IonicContact OD2-NE 3.83Å; D156-R160 PolarHBondContact OD2-NE 3.27Å; D156-R160 IonicContact OD2-NH2 2.82Å; D156-R160 PolarHBondContact OD2-NH2 2.99Å; M158-R160 HydrophobicContact CB-CG 4.18Å; M158-R160 PolarHBondContact O-N 3.41Å; R160-V162 PolarHBondContact O-N 3.46Å
161E95.1Very high87.4Confident52 Ų5256 Ų5624%0.24327%0.271CS..EExtended strand (participates in β ladder)trans-73.4116.7175.2-166.1179.7142.800109.4K153 K155 R164 P189K153-E161 HydrophobicContact CB-CG 4.3Å; K153-E161 WeakPolarHBondContact CD-OE2 3.47Å; K153-E161 HydrophobicContact CG-CG 4.44Å; K153-E161 IonicContact NZ-OE1 2.77Å; K153-E161 IonicContact NZ-OE2 3.95Å; K153-E161 PolarHBondContact NZ-OE2 3.04Å; K155-E161 HydrophobicContact CG-CB 4.48Å; E161-R164 WeakPolarHBondContact OE1-CD 3.49Å; E161-P189 HydrophobicContact CB-CG 4Å; E161-P189 HydrophobicContact CG-CG 3.53Å; E161-P189 WeakPolarHBondContact O-CD 3.45Å; E161-P189 WeakPolarHBondContact OE1-CG 3.15Å
162V96.7Very high85.5Confident5 Ų559.4 Ų59.43%0.0329%0.293CS..EExtended strand (participates in β ladder)trans-108.3-35-174.9-65.50000112.1L89 Y130 I154 D156 R160L89-V162 HydrophobicContact CD1-CB 4.03Å; Y130-V162 HydrophobicContact CD1-CG2 3.81Å; Y130-V162 HydrophobicContact CE1-CG2 3.87Å; I154-V162 HydrophobicContact CG2-CG2 4.28Å; I154-V162 WeakPolarHBondContact O-CG2 2.95Å; I154-V162 PolarHBondContact O-N 3.33Å; D156-V162 HydrophobicContact CB-CG1 3.96Å; R160-V162 PolarHBondContact O-N 3.46Å
163I97.4Very high83.2Confident0 Ų064 Ų640%033%0.325CS..EExtended strand (participates in β ladder)trans-133.1138.7176.4-58.2163.2000108.7L89 I154 L165 V185 Q186 A187 A281 M284L89-I163 HydrophobicContact CD1-CD1 4.42Å; L89-I163 HydrophobicContact CD1-CG1 4.01Å; L89-I163 HydrophobicContact CD2-CD1 4.29Å; L89-I163 HydrophobicContact CD2-CG1 4.32Å; L89-I163 HydrophobicContact CG-CD1 4.28Å; L89-I163 HydrophobicContact CG-CG1 4.35Å; I154-I163 HydrophobicContact CB-CB 4.03Å; I154-I163 HydrophobicContact CD1-CB 4.19Å; I154-I163 HydrophobicContact CD1-CG2 4.14Å; I154-I163 PolarHBondContact N-O 3.14Å; I154-I163 PolarHBondContact O-N 2.92Å; I163-L165 HydrophobicContact CG2-CD2 3.81Å; I163-L165 HydrophobicContact CG2-CG 4.5Å; I163-V185 HydrophobicContact CG2-CG1 3.78Å; I163-Q186 CarbonylContact C-O 3.59Å; I163-Q186 VanDerWaalsContact CA-O 3.24Å; I163-Q186 WeakPolarHBondContact CA-O 3.45Å; I163-A187 HydrophobicContact CG1-CB 4.06Å; I163-A281 HydrophobicContact CD1-CB 3.78Å; I163-A281 HydrophobicContact CG1-CB 4.43Å; I163-M284 HydrophobicContact CD1-CE 3.35Å
164R96.3Very high80.8Confident73 Ų7365.1 Ų65.128%0.27534%0.339SS..EExtended strand (participates in β ladder)trans-121.3128.8169.9-168.3177.1-179.8-167.9-1.9109.9D151 E161 I166 Q186 P189D151-R164 IonicContact OD1-CZ 3.88Å; D151-R164 IonicContact OD1-NE 3.69Å; D151-R164 PolarHBondContact OD1-NE 2.94Å; D151-R164 IonicContact OD1-NH2 3.79Å; D151-R164 IonicContact OD2-CZ 2.71Å; D151-R164 IonicContact OD2-NE 2.71Å; D151-R164 IonicContact OD2-NH2 3.55Å; D151-R164 PolarHBondContact OD2-NH2 3.12Å; E161-R164 WeakPolarHBondContact OE1-CD 3.49Å; R164-I166 HydrophobicContact CG-CD1 4.3Å; R164-I166 HydrophobicContact CG-CG1 3.97Å; R164-Q186 HydrophobicContact CB-CB 4.38Å; R164-Q186 PolarHBondContact N-O 2.93Å; R164-Q186 PolarHBondContact O-N 2.71Å; R164-P189 HydrophobicContact CB-CB 4.32Å; R164-P189 HydrophobicContact CB-CG 4.41Å
165L95.4Very high78.1Confident0 Ų077.2 Ų77.20%039%0.385CS..EExtended strand (participates in β ladder)trans-104.2124.6176.8-51.8-178.6000108.4F150 D151 M152 I154 I163 M183 V185 F288F150-L165 HydrophobicContact CE1-CB 4Å; F150-L165 HydrophobicContact CE1-CD1 4.29Å; D151-L165 WeakPolarHBondContact CA-O 3.32Å; M152-L165 HydrophobicContact CB-CB 4.23Å; M152-L165 HydrophobicContact CB-CD1 4.4Å; M152-L165 PolarHBondContact N-O 2.88Å; M152-L165 PolarHBondContact O-N 2.89Å; M152-L165 HydrophobicContact SD-CD1 4.26Å; I154-L165 HydrophobicContact CD1-CD1 4.17Å; I154-L165 HydrophobicContact CD1-CG 4.35Å; I163-L165 HydrophobicContact CG2-CD2 3.81Å; I163-L165 HydrophobicContact CG2-CG 4.5Å; L165-M183 HydrophobicContact CB-SD 4Å; L165-M183 HydrophobicContact CD1-SD 4.48Å; L165-M183 HydrophobicContact CD2-CE 4.28Å; L165-V185 HydrophobicContact CD2-CB 4.25Å; L165-V185 HydrophobicContact CD2-CG1 3.85Å; L165-V185 HydrophobicContact CD2-CG2 3.78Å; L165-F288 HydrophobicContact CD1-CB 4.04Å; L165-F288 HydrophobicContact CD1-CD2 3.58Å; L165-F288 HydrophobicContact CD1-CE2 4.39Å; L165-F288 HydrophobicContact CD1-CG 4.09Å
166I92.4Very high75.5Confident41 Ų4179.1 Ų79.121%0.2140%0.404CS..EExtended strand (participates in β ladder)trans-128.3120.8-176.2-53.3176.7000108.9R164 M183 E184R164-I166 HydrophobicContact CG-CD1 4.3Å; R164-I166 HydrophobicContact CG-CG1 3.97Å; I166-M183 WeakPolarHBondContact O-CA 3.34Å; I166-M183 WeakPolarHBondContact O-CG 3.45Å; I166-E184 HydrophobicContact CB-CB 4.41Å; I166-E184 PolarHBondContact N-O 3.15Å; I166-E184 PolarHBondContact O-N 2.8Å
167R87.6Confident73.5Confident4 Ų482.1 Ų82.12%0.01543%0.425CS..EExtended strand (participates in β ladder)trans-117.2119.9170.8169.8172.4168.7-80.30.3109.7S146 R148 S149 F150 E182 M183 F292S146-R167 PolarHBondContact O-NH2 3.13Å; R148-R167 PolarHBondContact O-NH1 2.83Å; S149-R167 WeakPolarHBondContact CA-O 3.48Å; F150-R167 HydrophobicContact CB-CB 4.03Å; F150-R167 PolarHBondContact N-O 3.4Å; F150-R167 PolarHBondContact O-N 2.91Å; R167-E182 WeakPolarHBondContact CG-O 3.44Å; R167-M183 HydrophobicContact CB-CB 4.41Å; R167-M183 HydrophobicContact CB-CG 4.16Å; R167-F292 VanDerWaalsContact NH1-CE1 3.34Å
168P74.9Confident71.6Confident65 Ų6581.3 Ų81.342%0.42243%0.427SS..  trans-70.4159.9177.430.1-34.5000111.8R170P168-R170 PolarHBondContact O-N 3.33Å
169F64.8Low70.2Confident142 Ų14276 Ų7662%0.62340%0.403SS*.  trans-59132.7171.9-71.3-84.8000110.9L147 S149L147-F169 WeakPolarHBondContact O-CD1 3.26Å; S149-F169 VanDerWaalsContact N-CE1 3.32Å; S149-F169 WeakPolarHBondContact OG-CE2 3.49Å; S149-F169 VanDerWaalsContact OG-CZ 3.24Å; S149-F169 WeakPolarHBondContact OG-CZ 3.41Å
170R62.7Low69.6Low77 Ų7774.6 Ų74.629%0.29140%0.395SS..  trans-131.1143.3175.5-65.7-108.6176.7153-5.7109.9P168 L180 E182P168-R170 PolarHBondContact O-N 3.33Å; R170-L180 PolarHBondContact NH1-O 3.43Å; R170-E182 IonicContact CZ-OE2 3.36Å; R170-E182 IonicContact NH2-OE2 2.67Å; R170-E182 PolarHBondContact NH2-OE2 2.77Å
171C47.3Very low69.3Low96 Ų9669.5 Ų69.565%0.64938%0.377SS*.  trans-81.5164-167.5-162.20000114.6C179C171-C179 PolarHBondContact O-SG 3.35Å
172V48Very low69Low99 Ų9969 Ų6960%0.638%0.375SS*.  trans-101.6-10.1-176.8-118.20000116.2L147 C174L147-V172 HydrophobicContact CD1-CB 4.23Å; L147-V172 HydrophobicContact CD1-CG1 3.74Å; L147-V172 HydrophobicContact CD1-CG2 3.52Å; L147-V172 HydrophobicContact CD2-CB 4.14Å; L147-V172 HydrophobicContact CD2-CG1 3.59Å; L147-V172 HydrophobicContact CD2-CG2 4.03Å; L147-V172 HydrophobicContact CG-CG1 4.16Å; L147-V172 HydrophobicContact CG-CG2 4.41Å; V172-C174 PolarHBondContact O-N 2.94Å
173S42.6Very low68.9Low96 Ų9668.7 Ų68.767%0.67137%0.373SS*.  trans-76.891-171.8-166.30000110.7C178S173-C178 PolarHBondContact O-SG 2.99Å
174C43.1Very low68.8Low87 Ų8770.9 Ų70.959%0.58838%0.383SS*.  trans-106.1105-170.4-167.60000110.6V172V172-C174 PolarHBondContact O-N 2.94Å
175W39.8Very low68.9Low254 Ų25467.4 Ų67.496%0.96237%0.37SS*.SBendtrans-132.86.6155-113.1-78.1000112.6
176C40.9Very low69Low96 Ų9668.4 Ų68.465%0.64938%0.375SS*.SBendtrans-167.7172175.9-129.10000109.5C178C176-C178 VanDerWaalsContact C-N 3.26Å; C176-C178 PolarHBondContact O-N 2.82Å; C176-C178 PolarHBondContact O-SG 2.82Å; C176-C178 VanDerWaalsContact O-SG 3.33Å
177P52Low69.2Low76 Ų7666.5 Ų66.549%0.49437%0.365SS..SBendtrans-73.438.4-154.134.8-39.9000117.1W200P177-W200 HydrophobicContact CB-CG 4.03Å
178C49.3Very low69.5Low90 Ų9068.6 Ų68.661%0.60838%0.379SS*.THydrogen-bonded Turntrans-87.5-0.9-170.856.90000116S173 C176S173-C178 PolarHBondContact O-SG 2.99Å; C176-C178 VanDerWaalsContact C-N 3.26Å; C176-C178 PolarHBondContact O-N 2.82Å; C176-C178 PolarHBondContact O-SG 2.82Å; C176-C178 VanDerWaalsContact O-SG 3.33Å
179C63.6Low70.4Confident31 Ų3167.7 Ų67.721%0.20937%0.374CS..THydrogen-bonded Turntrans-110.319.2-171.7-56.60000114.9C171 Q181C171-C179 PolarHBondContact O-SG 3.35Å; C179-Q181 PolarHBondContact O-N 2.94Å; C179-Q181 PolarHBondContact O-NE2 2.9Å
180L79.2Confident71.8Confident48 Ų4863.9 Ų63.925%0.25137%0.374SS..  trans-58135.1179.2-65.7174.1000110.8R170 Q198 W200R170-L180 PolarHBondContact NH1-O 3.43Å; L180-Q198 HydrophobicContact CB-CB 4.4Å; L180-Q198 HydrophobicContact CD2-CB 4.29Å; L180-Q198 HydrophobicContact CD2-CG 3.97Å; L180-W200 HydrophobicContact CD1-CB 4.08Å; L180-W200 HydrophobicContact CD2-CB 3.98Å
181Q85.4Confident73.3Confident27 Ų2764 Ų6413%0.12638%0.383CS..  trans-81.5146.8-177.9-58.2-54.5-39.600111.7C179 Q198 L289 M293C179-Q181 PolarHBondContact O-N 2.94Å; C179-Q181 PolarHBondContact O-NE2 2.9Å; Q181-Q198 HydrophobicContact CB-CB 4.26Å; Q181-Q198 VanDerWaalsContact N-OE1 3.09Å; Q181-Q198 WeakPolarHBondContact O-CB 3.22Å; Q181-Q198 PolarHBondContact O-N 2.81Å; Q181-L289 HydrophobicContact CB-CD1 4.32Å; Q181-L289 HydrophobicContact CB-CD2 4.5Å; Q181-M293 HydrophobicContact CB-CE 4.12Å; Q181-M293 HydrophobicContact CB-SD 3.64Å; Q181-M293 HydrophobicContact CG-CE 3.64Å; Q181-M293 HydrophobicContact CG-CG 4.06Å; Q181-M293 HydrophobicContact CG-SD 3.56Å; Q181-M293 VanDerWaalsContact CG-SD 3.56Å
182E90.1Very high75.7Confident41 Ų4161.7 Ų61.719%0.19237%0.366CS..EExtended strand (participates in β ladder)trans-142.5143.2175.7179.1170.8176.200109.4R167 R170 V196 K197R167-E182 WeakPolarHBondContact CG-O 3.44Å; R170-E182 IonicContact CZ-OE2 3.36Å; R170-E182 IonicContact NH2-OE2 2.67Å; R170-E182 PolarHBondContact NH2-OE2 2.77Å; E182-V196 CarbonylContact C-O 3.45Å; E182-V196 VanDerWaalsContact CA-O 3.25Å; E182-V196 WeakPolarHBondContact CA-O 3.12Å; E182-K197 HydrophobicContact CB-CG 4.24Å; E182-K197 HydrophobicContact CG-CG 3.77Å; E182-K197 WeakPolarHBondContact OE1-CE 3.29Å; E182-K197 IonicContact OE1-NZ 3.72Å; E182-K197 WeakPolarHBondContact OE2-CE 3.47Å
183M93.5Very high78Confident0 Ų057.2 Ų57.20%034%0.339CS..EExtended strand (participates in β ladder)trans-139.3130.2176-170.2-177.268.300110.6F150 L165 I166 R167 V185 F195 V196 G285 L289F150-M183 HydrophobicContact CD1-SD 4.3Å; F150-M183 HydrophobicContact CE1-SD 4.11Å; L165-M183 HydrophobicContact CB-SD 4Å; L165-M183 HydrophobicContact CD1-SD 4.48Å; L165-M183 HydrophobicContact CD2-CE 4.28Å; I166-M183 WeakPolarHBondContact O-CA 3.34Å; I166-M183 WeakPolarHBondContact O-CG 3.45Å; R167-M183 HydrophobicContact CB-CB 4.41Å; R167-M183 HydrophobicContact CB-CG 4.16Å; M183-V185 HydrophobicContact CE-CG2 4.06Å; M183-F195 CarbonylContact O-C 3.48Å; M183-F195 WeakPolarHBondContact O-CA 3.41Å; M183-V196 HydrophobicContact CE-CG2 4.07Å; M183-V196 PolarHBondContact N-O 3.25Å; M183-V196 PolarHBondContact O-N 3.23Å; M183-G285 WeakPolarHBondContact CE-O 3.44Å; M183-L289 HydrophobicContact CB-CD1 4.46Å; M183-L289 HydrophobicContact CB-CD2 4.06Å; M183-L289 HydrophobicContact CE-CB 4.2Å; M183-L289 HydrophobicContact SD-CB 4.15Å
184E96.3Very high80.6Confident46 Ų4652.6 Ų52.622%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-86.3138.2173.7-175.3-173.2166.700110.2I166 Q186 T192 F195I166-E184 HydrophobicContact CB-CB 4.41Å; I166-E184 PolarHBondContact N-O 3.15Å; I166-E184 PolarHBondContact O-N 2.8Å; E184-Q186 HydrophobicContact CG-CG 4.22Å; E184-Q186 WeakPolarHBondContact OE1-CG 3.5Å; E184-Q186 PolarHBondContact OE1-NE2 2.8Å; E184-T192 HydrophobicContact CG-CG2 3.67Å; E184-T192 PolarHBondContact OE1-OG1 3.01Å; E184-F195 HydrophobicContact CB-CD1 3.96Å; E184-F195 HydrophobicContact CB-CE1 3.86Å; E184-F195 HydrophobicContact CG-CD1 4.11Å; E184-F195 HydrophobicContact CG-CE1 3.66Å; E184-F195 HydrophobicContact CG-CZ 4.36Å
185V97.7Very high83.2Confident0 Ų050.3 Ų50.30%029%0.287CS..EExtended strand (participates in β ladder)trans-117.8121.7174.9-175.80000109I163 L165 M183 V193 G194 A281 V282I163-V185 HydrophobicContact CG2-CG1 3.78Å; L165-V185 HydrophobicContact CD2-CB 4.25Å; L165-V185 HydrophobicContact CD2-CG1 3.85Å; L165-V185 HydrophobicContact CD2-CG2 3.78Å; M183-V185 HydrophobicContact CE-CG2 4.06Å; V185-V193 HydrophobicContact CB-CG2 4.27Å; V185-V193 HydrophobicContact CG1-CG2 3.91Å; V185-V193 VanDerWaalsContact O-CG2 3.29Å; V185-V193 WeakPolarHBondContact O-CG2 3.13Å; V185-V193 PolarHBondContact O-N 2.85Å; V185-G194 PolarHBondContact N-O 2.98Å; V185-G194 PolarHBondContact O-N 2.88Å; V185-A281 HydrophobicContact CG1-CB 4.43Å; V185-V282 HydrophobicContact CB-CG2 4.18Å; V185-V282 HydrophobicContact CG1-CG2 4.46Å; V185-V282 HydrophobicContact CG2-CG1 4.35Å; V185-V282 HydrophobicContact CG2-CG2 4.47Å
186Q97.6Very high85.9Confident20 Ų2038.2 Ų38.29%0.09324%0.242CC..EExtended strand (participates in β ladder)trans-111.9133.1179.3-61.1179.6-5.700110.7I163 R164 E184 T191I163-Q186 CarbonylContact C-O 3.59Å; I163-Q186 VanDerWaalsContact CA-O 3.24Å; I163-Q186 WeakPolarHBondContact CA-O 3.45Å; R164-Q186 HydrophobicContact CB-CB 4.38Å; R164-Q186 PolarHBondContact N-O 2.93Å; R164-Q186 PolarHBondContact O-N 2.71Å; E184-Q186 HydrophobicContact CG-CG 4.22Å; E184-Q186 WeakPolarHBondContact OE1-CG 3.5Å; E184-Q186 PolarHBondContact OE1-NE2 2.8Å; Q186-T191 CarbonylContact C-O 3.55Å; Q186-T191 WeakPolarHBondContact CA-O 3.32Å
187A96Very high88.4Confident1 Ų136.6 Ų36.61%0.00822%0.223CC..SBendtrans-153.4116.4174.200000111.2P86 L89 I163 T191 V193P86-A187 HydrophobicContact CB-CB 4.19Å; P86-A187 HydrophobicContact CG-CB 4.44Å; L89-A187 HydrophobicContact CD1-CB 4.15Å; L89-A187 HydrophobicContact CD2-CB 3.79Å; I163-A187 HydrophobicContact CG1-CB 4.06Å; A187-T191 PolarHBondContact N-O 3.02Å; A187-V193 HydrophobicContact CB-CG1 3.9Å; A187-V193 HydrophobicContact CB-CG2 4.08Å; A187-V193 WeakPolarHBondContact O-CG1 3.36Å
188P94.8Very high90.3Very high48 Ų4834.9 Ų34.931%0.31221%0.209SC..SBendcis-61169.9-13.730.8-36.1000111.3G190 T191P188-G190 PolarHBondContact O-N 2.86Å; P188-T191 PolarHBondContact O-N 2.71Å
189P94.3Very high92.2Very high47 Ų4733.3 Ų33.331%0.30519%0.194SC..THydrogen-bonded Turntrans-50.8132.4176.7-27.235.2000112.2E161 R164E161-P189 HydrophobicContact CB-CG 4Å; E161-P189 HydrophobicContact CG-CG 3.53Å; E161-P189 WeakPolarHBondContact O-CD 3.45Å; E161-P189 WeakPolarHBondContact OE1-CG 3.15Å; R164-P189 HydrophobicContact CB-CB 4.32Å; R164-P189 HydrophobicContact CB-CG 4.41Å
190G92.9Very high93.3Very high61 Ų6139.8 Ų39.863%0.62922%0.215SC*.THydrogen-bonded Turntrans92-10.4-172.700000115.2P188P188-G190 PolarHBondContact O-N 2.86Å
191T95.5Very high93.5Very high80 Ų8040.6 Ų40.649%0.49122%0.217SC..SBendtrans-115.1108.3173.9-56.50000110.2Q186 A187 P188 V193Q186-T191 CarbonylContact C-O 3.55Å; Q186-T191 WeakPolarHBondContact CA-O 3.32Å; A187-T191 PolarHBondContact N-O 3.02Å; P188-T191 PolarHBondContact O-N 2.71Å; T191-V193 PolarHBondContact O-N 3.03Å
192T96.9Very high93Very high47 Ų4742.7 Ų42.729%0.28823%0.233SC..EExtended strand (participates in β ladder)trans-68.1126178.7-450000111E184 F195E184-T192 HydrophobicContact CG-CG2 3.67Å; E184-T192 PolarHBondContact OE1-OG1 3.01Å; T192-F195 HydrophobicContact CG2-CD2 4.49Å; T192-F195 HydrophobicContact CG2-CE1 4.09Å; T192-F195 HydrophobicContact CG2-CE2 3.76Å; T192-F195 HydrophobicContact CG2-CZ 3.53Å
193V96.8Very high92.5Very high5 Ų547.4 Ų47.43%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-105.8-16.7176.5-660000113.1P86 V185 A187 T191 P212 K278 V282P86-V193 HydrophobicContact CG-CG1 4.43Å; V185-V193 HydrophobicContact CB-CG2 4.27Å; V185-V193 HydrophobicContact CG1-CG2 3.91Å; V185-V193 VanDerWaalsContact O-CG2 3.29Å; V185-V193 WeakPolarHBondContact O-CG2 3.13Å; V185-V193 PolarHBondContact O-N 2.85Å; A187-V193 HydrophobicContact CB-CG1 3.9Å; A187-V193 HydrophobicContact CB-CG2 4.08Å; A187-V193 WeakPolarHBondContact O-CG1 3.36Å; T191-V193 PolarHBondContact O-N 3.03Å; V193-P212 WeakPolarHBondContact O-CD 3.31Å; V193-K278 HydrophobicContact CB-CB 4.15Å; V193-K278 HydrophobicContact CB-CD 4.37Å; V193-K278 HydrophobicContact CB-CG 4.1Å; V193-K278 HydrophobicContact CG1-CD 4.23Å; V193-K278 HydrophobicContact CG1-CG 4.05Å; V193-V282 HydrophobicContact CG2-CG2 4.33Å
194G97.1Very high92Very high0 Ų049.4 Ų49.40%026%0.263CS..EExtended strand (participates in β ladder)trans169.4-177.4175.500000113.6V185 Q210V185-G194 PolarHBondContact N-O 2.98Å; V185-G194 PolarHBondContact O-N 2.88Å; G194-Q210 CarbonylContact C-O 3.53Å; G194-Q210 WeakPolarHBondContact CA-O 3.06Å
195F97.4Very high91.7Very high39 Ų3947.7 Ų47.717%0.17126%0.256CS..EExtended strand (participates in β ladder)trans-134.3148.5-177.2-57.4-92.1000110.9M183 E184 T192 Q210M183-F195 CarbonylContact O-C 3.48Å; M183-F195 WeakPolarHBondContact O-CA 3.41Å; E184-F195 HydrophobicContact CB-CD1 3.96Å; E184-F195 HydrophobicContact CB-CE1 3.86Å; E184-F195 HydrophobicContact CG-CD1 4.11Å; E184-F195 HydrophobicContact CG-CE1 3.66Å; E184-F195 HydrophobicContact CG-CZ 4.36Å; T192-F195 HydrophobicContact CG2-CD2 4.49Å; T192-F195 HydrophobicContact CG2-CE1 4.09Å; T192-F195 HydrophobicContact CG2-CE2 3.76Å; T192-F195 HydrophobicContact CG2-CZ 3.53Å; F195-Q210 HydrophobicContact CB-CB 4.27Å; F195-Q210 PolarHBondContact N-O 3.27Å; F195-Q210 PolarHBondContact O-N 3.11Å
196V96.8Very high91.4Very high0 Ų050.2 Ų50.20%027%0.267CS..EExtended strand (participates in β ladder)trans-107.5119.7166.1-173.90000107.1E182 M183 F207 I209 V282 A286 L289E182-V196 CarbonylContact C-O 3.45Å; E182-V196 VanDerWaalsContact CA-O 3.25Å; E182-V196 WeakPolarHBondContact CA-O 3.12Å; M183-V196 HydrophobicContact CE-CG2 4.07Å; M183-V196 PolarHBondContact N-O 3.25Å; M183-V196 PolarHBondContact O-N 3.23Å; V196-F207 HydrophobicContact CG1-CB 4.36Å; V196-F207 HydrophobicContact CG1-CD1 4.18Å; V196-I209 HydrophobicContact CG1-CD1 4.15Å; V196-I209 HydrophobicContact CG2-CD1 4.21Å; V196-V282 HydrophobicContact CG2-CG1 3.61Å; V196-V282 WeakPolarHBondContact CG2-O 3.48Å; V196-A286 HydrophobicContact CB-CB 4.5Å; V196-A286 HydrophobicContact CG1-CB 3.81Å; V196-A286 HydrophobicContact CG2-CB 3.84Å; V196-L289 HydrophobicContact CB-CD2 4.12Å; V196-L289 HydrophobicContact CG1-CD2 3.76Å
197K93.9Very high91.3Very high61 Ų6149.3 Ų49.327%0.26526%0.263SS..EExtended strand (participates in β ladder)trans-118.7131.3177.1-75.5-175.9-177149.90110.4E182 F207 S208E182-K197 HydrophobicContact CB-CG 4.24Å; E182-K197 HydrophobicContact CG-CG 3.77Å; E182-K197 WeakPolarHBondContact OE1-CE 3.29Å; E182-K197 IonicContact OE1-NZ 3.72Å; E182-K197 WeakPolarHBondContact OE2-CE 3.47Å; K197-F207 CarbonylContact O-C 3.52Å; K197-F207 WeakPolarHBondContact O-CA 3.47Å; K197-S208 PolarHBondContact N-O 3.31Å; K197-S208 PolarHBondContact O-N 2.83Å
198Q91Very high91.3Very high41 Ų4149.6 Ų49.619%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-72.9129.7168.8-171.5-175.714.300109.3L180 Q181 K206 F207 M293L180-Q198 HydrophobicContact CB-CB 4.4Å; L180-Q198 HydrophobicContact CD2-CB 4.29Å; L180-Q198 HydrophobicContact CD2-CG 3.97Å; Q181-Q198 HydrophobicContact CB-CB 4.26Å; Q181-Q198 VanDerWaalsContact N-OE1 3.09Å; Q181-Q198 WeakPolarHBondContact O-CB 3.22Å; Q181-Q198 PolarHBondContact O-N 2.81Å; Q198-K206 WeakPolarHBondContact CA-O 3.5Å; Q198-F207 HydrophobicContact CB-CD1 3.95Å; Q198-F207 HydrophobicContact CB-CE1 3.86Å; Q198-F207 HydrophobicContact CG-CD1 4.29Å; Q198-F207 HydrophobicContact CG-CE1 3.95Å; Q198-F207 HydrophobicContact CG-CZ 4.45Å; Q198-M293 VanDerWaalsContact CD-CE 3.46Å; Q198-M293 HydrophobicContact CG-CE 4.36Å
199D89.9Confident91.4Very high56 Ų5647.3 Ų47.330%0.29925%0.25SC..EExtended strand (participates in β ladder)trans-95.9136173.8-62.8-47.2000109.4H201 K206 S208D199-H201 PolarHBondContact O-N 2.7Å; D199-K206 HydrophobicContact CB-CB 3.95Å; D199-K206 PolarHBondContact N-O 2.88Å; D199-S208 PolarHBondContact OD1-OG 3.3Å; D199-S208 WeakPolarHBondContact OD2-CB 3.4Å; D199-S208 PolarHBondContact OD2-N 3.36Å; D199-S208 VanDerWaalsContact OD2-N 3.13Å; D199-S208 PolarHBondContact OD2-OG 3.01Å
200W85.9Confident91.6Very high168 Ų16845.9 Ų45.964%0.63624%0.239SC*.PPolyproline II helixtrans-69.2130.7177.1-174.886.7000110.4P177 L180 P202P177-W200 HydrophobicContact CB-CG 4.03Å; L180-W200 HydrophobicContact CD1-CB 4.08Å; L180-W200 HydrophobicContact CD2-CB 3.98Å; W200-P202 HydrophobicContact CH2-CB 4.41Å
201H83.5Confident91.7Very high64 Ų6443.1 Ų43.130%0.29621%0.211SC..  trans-154.9143.1174.5-178.3-84.2000109.3D199 F203 L204 K206D199-H201 PolarHBondContact O-N 2.7Å; H201-F203 VanDerWaalsContact C-N 3.34Å; H201-F203 PolarHBondContact ND1-N 3.39Å; H201-F203 PolarHBondContact O-N 3.49Å; H201-L204 WeakPolarHBondContact CB-O 3.38Å; H201-L204 WeakPolarHBondContact ND1-CB 3.38Å; H201-L204 PolarHBondContact ND1-N 2.95Å; H201-L204 PolarHBondContact ND1-O 2.96Å; H201-K206 HydrophobicContact CB-CD 4.2Å; H201-K206 HydrophobicContact CB-CG 4.17Å; H201-K206 WeakPolarHBondContact CD2-CE 3.24Å
202P76.1Confident91.7Very high72 Ų7242.8 Ų42.847%0.46821%0.21SC..SBendtrans-67.9-25.7-168.322.8-35000115.3W200W200-P202 HydrophobicContact CH2-CB 4.41Å
203F77.9Confident91.6Very high140 Ų14046 Ų4661%0.61423%0.226SC*.SBendtrans-134.1-39-171-53.8-64.7000114.4H201H201-F203 VanDerWaalsContact C-N 3.34Å; H201-F203 PolarHBondContact ND1-N 3.39Å; H201-F203 PolarHBondContact O-N 3.49Å
204L84.5Confident91.4Very high41 Ų4147.1 Ų47.122%0.21524%0.238CC..SBendtrans-95.5137.7179.2-54.1172.2000112.2H201 K206 E221 C224H201-L204 WeakPolarHBondContact CB-O 3.38Å; H201-L204 WeakPolarHBondContact ND1-CB 3.38Å; H201-L204 PolarHBondContact ND1-N 2.95Å; H201-L204 PolarHBondContact ND1-O 2.96Å; L204-K206 HydrophobicContact CB-CG 4.42Å; L204-K206 PolarHBondContact O-N 2.82Å; L204-E221 HydrophobicContact CD1-CG 4.3Å; L204-E221 WeakPolarHBondContact CD1-OE1 3.19Å; L204-C224 HydrophobicContact CD2-CB 3.68Å
205P88.3Confident91.3Very high10 Ų1052.4 Ų52.47%0.06526%0.263CS..  trans-72.6121.5165.934-36.6000109.4F207 G222 P223 F225 F235 F294P205-F207 HydrophobicContact CB-CE2 4.23Å; P205-G222 PolarHBondContact O-N 3.31Å; P205-P223 WeakPolarHBondContact CD-O 3.22Å; P205-F225 HydrophobicContact CB-CD2 4.28Å; P205-F225 HydrophobicContact CB-CE2 4.06Å; P205-F225 HydrophobicContact CG-CD2 3.76Å; P205-F225 HydrophobicContact CG-CE2 3.57Å; P205-F235 HydrophobicContact CB-CE1 4.19Å; P205-F235 HydrophobicContact CG-CE1 3.83Å; P205-F235 HydrophobicContact CG-CZ 4.5Å; P205-F294 HydrophobicContact CB-CE2 4.31Å; P205-F294 HydrophobicContact CB-CZ 3.78Å
206K91.9Very high91.3Very high53 Ų5352.3 Ų52.323%0.2327%0.265CS..EExtended strand (participates in β ladder)trans-121.6143.4178-62-162.5-176.2-151.30110.6Q198 D199 H201 L204 L220 E221Q198-K206 WeakPolarHBondContact CA-O 3.5Å; D199-K206 HydrophobicContact CB-CB 3.95Å; D199-K206 PolarHBondContact N-O 2.88Å; H201-K206 HydrophobicContact CB-CD 4.2Å; H201-K206 HydrophobicContact CB-CG 4.17Å; H201-K206 WeakPolarHBondContact CD2-CE 3.24Å; L204-K206 HydrophobicContact CB-CG 4.42Å; L204-K206 PolarHBondContact O-N 2.82Å; K206-L220 CarbonylContact C-O 3.49Å; K206-L220 WeakPolarHBondContact CA-O 3.45Å; K206-E221 WeakPolarHBondContact CE-OE2 3.45Å; K206-E221 HydrophobicContact CG-CG 4.4Å; K206-E221 IonicContact NZ-OE2 2.7Å; K206-E221 PolarHBondContact NZ-OE2 2.86Å
207F95.1Very high91.2Very high1 Ų156 Ų560%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-135.6137.4175.5-55.6-95.3000111.5V196 K197 Q198 P205 K219 L220 F235 L289 I290 M293 F294V196-F207 HydrophobicContact CG1-CB 4.36Å; V196-F207 HydrophobicContact CG1-CD1 4.18Å; K197-F207 CarbonylContact O-C 3.52Å; K197-F207 WeakPolarHBondContact O-CA 3.47Å; Q198-F207 HydrophobicContact CB-CD1 3.95Å; Q198-F207 HydrophobicContact CB-CE1 3.86Å; Q198-F207 HydrophobicContact CG-CD1 4.29Å; Q198-F207 HydrophobicContact CG-CE1 3.95Å; Q198-F207 HydrophobicContact CG-CZ 4.45Å; P205-F207 HydrophobicContact CB-CE2 4.23Å; F207-K219 CarbonylContact O-C 3.56Å; F207-K219 WeakPolarHBondContact O-CA 3.28Å; F207-L220 HydrophobicContact CB-CB 4.19Å; F207-L220 PolarHBondContact N-O 3.04Å; F207-L220 PolarHBondContact O-N 2.93Å; F207-F235 HydrophobicContact CE2-CD1 4.37Å; F207-F235 AromaticContact CE2-CE1 3.98Å; F207-F235 HydrophobicContact CE2-CE1 3.98Å; F207-L289 HydrophobicContact CE1-CD2 4.33Å; F207-I290 HydrophobicContact CE2-CD1 4.39Å; F207-I290 HydrophobicContact CE2-CG1 3.98Å; F207-I290 HydrophobicContact CZ-CG1 4.1Å; F207-M293 HydrophobicContact CE1-CE 4.13Å; F207-M293 HydrophobicContact CE1-SD 3.8Å; F207-M293 HydrophobicContact CZ-CE 4.06Å; F207-M293 HydrophobicContact CZ-SD 4.02Å; F207-F294 HydrophobicContact CE2-CE2 4.3Å; F207-F294 AromaticContact CZ-CE2 3.94Å; F207-F294 HydrophobicContact CZ-CE2 3.94Å; F207-F294 HydrophobicContact CZ-CZ 4.49Å
208S96.6Very high91.4Very high7 Ų753.6 Ų53.65%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-94.6127.2169.1-77.60000109.9K197 D199K197-S208 PolarHBondContact N-O 3.31Å; K197-S208 PolarHBondContact O-N 2.83Å; D199-S208 PolarHBondContact OD1-OG 3.3Å; D199-S208 WeakPolarHBondContact OD2-CB 3.4Å; D199-S208 PolarHBondContact OD2-N 3.36Å; D199-S208 VanDerWaalsContact OD2-N 3.13Å; D199-S208 PolarHBondContact OD2-OG 3.01Å
209I97.8Very high91.6Very high0 Ų055.6 Ų55.60%028%0.281CS..EExtended strand (participates in β ladder)trans-95.6110.6172.1-54.8-55.7000107.4V196 M217 L218 L220 M279 V282 L283 A286V196-I209 HydrophobicContact CG1-CD1 4.15Å; V196-I209 HydrophobicContact CG2-CD1 4.21Å; I209-M217 PolarHBondContact O-N 2.94Å; I209-L218 HydrophobicContact CB-CB 3.9Å; I209-L218 HydrophobicContact CG1-CB 4.17Å; I209-L218 HydrophobicContact CG2-CB 4.42Å; I209-L218 HydrophobicContact CG2-CD1 4.31Å; I209-L218 PolarHBondContact N-O 2.77Å; I209-L218 PolarHBondContact O-N 2.85Å; I209-L220 HydrophobicContact CD1-CD1 3.91Å; I209-L220 HydrophobicContact CG1-CD1 4.35Å; I209-L220 HydrophobicContact CG1-CG 4.47Å; I209-M279 HydrophobicContact CG2-SD 4.23Å; I209-V282 HydrophobicContact CG2-CB 4.09Å; I209-V282 HydrophobicContact CG2-CG1 3.68Å; I209-L283 HydrophobicContact CD1-CD2 4.12Å; I209-L283 HydrophobicContact CG1-CD2 3.96Å; I209-A286 HydrophobicContact CD1-CB 3.83Å
210Q97.6Very high91.9Very high18 Ų1853 Ų538%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-108.3144.6-171.7-60.5-173.2-14.900111.7G194 F195 G214 Q215G194-Q210 CarbonylContact C-O 3.53Å; G194-Q210 WeakPolarHBondContact CA-O 3.06Å; F195-Q210 HydrophobicContact CB-CB 4.27Å; F195-Q210 PolarHBondContact N-O 3.27Å; F195-Q210 PolarHBondContact O-N 3.11Å; Q210-G214 VanDerWaalsContact CD-O 3.29Å; Q210-G214 PolarHBondContact OE1-O 3.45Å; Q210-Q215 CarbonylContact C-O 3.58Å; Q210-Q215 VanDerWaalsContact CA-O 3.22Å; Q210-Q215 WeakPolarHBondContact CA-O 3.5Å
211G96Very high92.3Very high3 Ų348.8 Ų48.83%0.03126%0.255CS..  trans-67.1178.716500000112.6D213 G214 Q215G211-D213 PolarHBondContact O-N 2.86Å; G211-G214 PolarHBondContact O-N 3.27Å; G211-Q215 PolarHBondContact N-O 3.47Å
212P95.1Very high92.5Very high73 Ų7346 Ų4647%0.47424%0.243SC..THydrogen-bonded Turntrans-68.1-20.7-179.229.5-34.4000113.2V193 G214V193-P212 WeakPolarHBondContact O-CD 3.31Å; P212-G214 VanDerWaalsContact C-N 3.29Å
213D94.4Very high92.9Very high115 Ų11544.2 Ų44.262%0.61523%0.232SC*.THydrogen-bonded Turntrans-83.6-2174.263.6-16.4000113.3G211 Q215G211-D213 PolarHBondContact O-N 2.86Å; D213-Q215 VanDerWaalsContact C-N 3.29Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.27Å; D213-Q215 PolarHBondContact OD1-N 3.04Å; D213-Q215 WeakPolarHBondContact OD2-CB 3.4Å
214G91.9Very high92.9Very high28 Ų2839 Ų3929%0.28921%0.213SC..SBendtrans80.25.1-175.600000114.2Q210 G211 P212Q210-G214 VanDerWaalsContact CD-O 3.29Å; Q210-G214 PolarHBondContact OE1-O 3.45Å; G211-G214 PolarHBondContact O-N 3.27Å; P212-G214 VanDerWaalsContact C-N 3.29Å
215Q95.4Very high92.1Very high111 Ų11140.9 Ų40.952%0.51922%0.219SC..  trans-72.2129174.9-177.4173.465.800110.4Q210 G211 D213 M217Q210-Q215 CarbonylContact C-O 3.58Å; Q210-Q215 VanDerWaalsContact CA-O 3.22Å; Q210-Q215 WeakPolarHBondContact CA-O 3.5Å; G211-Q215 PolarHBondContact N-O 3.47Å; D213-Q215 VanDerWaalsContact C-N 3.29Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.27Å; D213-Q215 PolarHBondContact OD1-N 3.04Å; D213-Q215 WeakPolarHBondContact OD2-CB 3.4Å; Q215-M217 HydrophobicContact CG-SD 4.33Å; Q215-M217 PolarHBondContact O-N 2.87Å
216T96.7Very high90.6Very high37 Ų3744.3 Ų44.323%0.22725%0.249CC..EExtended strand (participates in β ladder)trans-70.2119.4174.3-60.80000110.6L218 K219T216-L218 WeakPolarHBondContact CG2-O 3.35Å; T216-K219 HydrophobicContact CG2-CG 4.16Å
217M95.9Very high88.8Confident78 Ų7845.5 Ų45.538%0.38426%0.262SS..EExtended strand (participates in β ladder)trans-99.9-39.3179.4-59.8-59.9-76.800111.4I209 Q215 K240 M279I209-M217 PolarHBondContact O-N 2.94Å; Q215-M217 HydrophobicContact CG-SD 4.33Å; Q215-M217 PolarHBondContact O-N 2.87Å; M217-K240 PolarHBondContact O-N 2.62Å; M217-M279 HydrophobicContact CB-SD 3.99Å; M217-M279 HydrophobicContact CG-SD 3.98Å
218L97.1Very high86.5Confident10 Ų1053.1 Ų53.15%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-138.9162.5-179.1-47.9164.4000110.3I209 T216 L237 T238 I246 L275 M279 L283I209-L218 HydrophobicContact CB-CB 3.9Å; I209-L218 HydrophobicContact CG1-CB 4.17Å; I209-L218 HydrophobicContact CG2-CB 4.42Å; I209-L218 HydrophobicContact CG2-CD1 4.31Å; I209-L218 PolarHBondContact N-O 2.77Å; I209-L218 PolarHBondContact O-N 2.85Å; T216-L218 WeakPolarHBondContact CG2-O 3.35Å; L218-L237 HydrophobicContact CB-CD1 3.81Å; L218-L237 HydrophobicContact CD1-CD1 4.06Å; L218-L237 HydrophobicContact CD1-CD2 4.38Å; L218-L237 HydrophobicContact CG-CD1 4.46Å; L218-T238 WeakPolarHBondContact CA-O 3.32Å; L218-I246 HydrophobicContact CD2-CD1 3.94Å; L218-L275 HydrophobicContact CD1-CD1 4.06Å; L218-L275 HydrophobicContact CD1-CD2 4.08Å; L218-L275 HydrophobicContact CD2-CD1 4.47Å; L218-M279 HydrophobicContact CD1-CB 4.34Å; L218-L283 HydrophobicContact CD1-CD1 4.33Å
219K96.9Very high84.3Confident82 Ų8256.3 Ų56.336%0.35733%0.325SS..EExtended strand (participates in β ladder)trans-127.9138.3175.4-71.1171.7174.9164.50110.2F207 T216 L237 T238 K240F207-K219 CarbonylContact O-C 3.56Å; F207-K219 WeakPolarHBondContact O-CA 3.28Å; T216-K219 HydrophobicContact CG2-CG 4.16Å; K219-L237 WeakPolarHBondContact O-CA 3.42Å; K219-T238 PolarHBondContact N-O 2.94Å; K219-T238 PolarHBondContact O-N 3.06Å; K219-T238 PolarHBondContact O-OG1 3.23Å; K219-K240 VanDerWaalsContact CE-O 3.31Å; K219-K240 WeakPolarHBondContact CE-O 3.38Å; K219-K240 PolarHBondContact NZ-O 3.46Å
220L95.8Very high82.1Confident2 Ų262.2 Ų62.21%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-109.9131.5170.2-78.1167.8000109.5K206 F207 I209 F235 E236 L237 I249 L283 A286K206-L220 CarbonylContact C-O 3.49Å; K206-L220 WeakPolarHBondContact CA-O 3.45Å; F207-L220 HydrophobicContact CB-CB 4.19Å; F207-L220 PolarHBondContact N-O 3.04Å; F207-L220 PolarHBondContact O-N 2.93Å; I209-L220 HydrophobicContact CD1-CD1 3.91Å; I209-L220 HydrophobicContact CG1-CD1 4.35Å; I209-L220 HydrophobicContact CG1-CG 4.47Å; L220-F235 HydrophobicContact CD2-CB 4.26Å; L220-E236 WeakPolarHBondContact CA-O 3.27Å; L220-L237 HydrophobicContact CD2-CB 3.91Å; L220-L237 HydrophobicContact CD2-CD1 3.77Å; L220-L237 HydrophobicContact CD2-CG 4.47Å; L220-L237 HydrophobicContact CG-CD1 3.93Å; L220-I249 HydrophobicContact CD1-CD1 3.65Å; L220-I249 HydrophobicContact CD2-CD1 4.23Å; L220-I249 HydrophobicContact CD2-CG1 4.24Å; L220-L283 HydrophobicContact CD1-CD2 4.16Å; L220-A286 HydrophobicContact CD1-CB 3.72Å
221E93.4Very high80.6Confident79 Ų7963 Ų6337%0.36938%0.377SS..EExtended strand (participates in β ladder)trans-125.7118.6176.4-174.7165.9131.500109.4L204 K206 F235 E236L204-E221 HydrophobicContact CD1-CG 4.3Å; L204-E221 WeakPolarHBondContact CD1-OE1 3.19Å; K206-E221 WeakPolarHBondContact CE-OE2 3.45Å; K206-E221 HydrophobicContact CG-CG 4.4Å; K206-E221 IonicContact NZ-OE2 2.7Å; K206-E221 PolarHBondContact NZ-OE2 2.86Å; E221-F235 CarbonylContact O-C 3.56Å; E221-F235 VanDerWaalsContact O-CA 3.32Å; E221-F235 WeakPolarHBondContact O-CA 3.13Å; E221-E236 PolarHBondContact N-O 2.92Å; E221-E236 PolarHBondContact O-N 2.87Å
222G88.9Confident79.2Confident5 Ų566.5 Ų66.55%0.05240%0.395CS..  trans-94.4176.6177.400000113.4P205P205-G222 PolarHBondContact O-N 3.31Å
223P84.7Confident78.7Confident36 Ų3663.4 Ų63.423%0.23438%0.375CS..  trans-73.1158.8-177.531.7-29.1000110.6P205 F225 V233 N234P205-P223 WeakPolarHBondContact CD-O 3.22Å; P223-F225 PolarHBondContact O-N 3.04Å; P223-V233 HydrophobicContact CG-CG1 3.72Å; P223-N234 VanDerWaalsContact CD-O 3.31Å; P223-N234 WeakPolarHBondContact CD-O 3.46Å
224C76.7Confident78.4Confident30 Ų3060.5 Ų60.520%0.20336%0.36CS..  trans-67.1103.1174.7-172.50000110.2L204 A226 C227L204-C224 HydrophobicContact CD2-CB 3.68Å; C224-A226 PolarHBondContact O-N 2.84Å; C224-C227 HydrophobicContact CB-CB 4.2Å; C224-C227 WeakPolarHBondContact O-CB 3.32Å; C224-C227 PolarHBondContact O-N 3.35Å
225F67.4Low78.4Confident80 Ų8059.4 Ų59.435%0.35135%0.347SS..THydrogen-bonded Turntrans-66.5-19.3177.6-75.5-66.8000113.5P205 P223 C227 V233 F235 F294P205-F225 HydrophobicContact CB-CD2 4.28Å; P205-F225 HydrophobicContact CB-CE2 4.06Å; P205-F225 HydrophobicContact CG-CD2 3.76Å; P205-F225 HydrophobicContact CG-CE2 3.57Å; P223-F225 PolarHBondContact O-N 3.04Å; F225-C227 PolarHBondContact O-N 3.14Å; F225-V233 HydrophobicContact CE1-CG1 4.34Å; F225-V233 HydrophobicContact CZ-CG1 4.23Å; F225-F235 HydrophobicContact CE2-CZ 4.19Å; F225-F235 HydrophobicContact CZ-CZ 4.03Å; F225-F294 HydrophobicContact CD2-CD1 4.06Å; F225-F294 AromaticContact CD2-CE1 3.71Å; F225-F294 HydrophobicContact CD2-CE1 3.71Å; F225-F294 HydrophobicContact CD2-CZ 4.22Å; F225-F294 HydrophobicContact CE1-CD1 4.43Å; F225-F294 AromaticContact CE2-CD1 3.49Å; F225-F294 HydrophobicContact CE2-CD1 3.49Å; F225-F294 VanDerWaalsContact CE2-CD1 3.49Å; F225-F294 HydrophobicContact CE2-CD2 4.11Å; F225-F294 AromaticContact CE2-CE1 3.33Å; F225-F294 HydrophobicContact CE2-CE1 3.33Å; F225-F294 AromaticContact CE2-CE2 3.96Å; F225-F294 HydrophobicContact CE2-CE2 3.96Å; F225-F294 AromaticContact CE2-CG 3.89Å; F225-F294 HydrophobicContact CE2-CG 3.89Å; F225-F294 AromaticContact CE2-CZ 3.59Å; F225-F294 HydrophobicContact CE2-CZ 3.59Å; F225-F294 HydrophobicContact CZ-CB 4.25Å; F225-F294 AromaticContact CZ-CD1 3.72Å; F225-F294 HydrophobicContact CZ-CD1 3.72Å; F225-F294 HydrophobicContact CZ-CD2 4.17Å; F225-F294 HydrophobicContact CZ-CE1 4.07Å; F225-F294 HydrophobicContact CZ-CE2 4.46Å; F225-F294 AromaticContact CZ-CG 3.78Å; F225-F294 HydrophobicContact CZ-CG 3.78Å; F225-F294 HydrophobicContact CZ-CZ 4.43Å
226A56.7Low78.4Confident83 Ų8357.4 Ų57.469%0.68634%0.337SS*.THydrogen-bonded Turntrans-73.4-16.4172.700000112.8C224C224-A226 PolarHBondContact O-N 2.84Å
227C54.5Low78.4Confident77 Ų7755.7 Ų55.752%0.5233%0.327SS..SBendtrans-91.7119.5171.2-600000107.5C224 F225 C229C224-C227 HydrophobicContact CB-CB 4.2Å; C224-C227 WeakPolarHBondContact O-CB 3.32Å; C224-C227 PolarHBondContact O-N 3.35Å; F225-C227 PolarHBondContact O-N 3.14Å; C227-C229 PolarHBondContact O-N 2.91Å; C227-C229 PolarHBondContact O-SG 2.99Å
228N46Very low78.5Confident161 Ų16153 Ų5386%0.86132%0.315SS*.  trans-54.794.1-171.3-154.733.1000112.8
229C51.6Low78.3Confident75 Ų7554.9 Ų54.951%0.50733%0.329SS..  trans-95.3105.2-174.1-70.70000111.5C227C227-C229 PolarHBondContact O-N 2.91Å; C227-C229 PolarHBondContact O-SG 2.99Å
230C52.1Low78Confident124 Ų12455.8 Ų55.884%0.83833%0.333SS*.  trans-96.4101.1159.5-580000107.6
231G65.3Low77.6Confident33 Ų3362.1 Ų62.134%0.3437%0.367SS..SBendtrans155.3-170.7178.300000114.5W253G231-W253 VanDerWaalsContact O-CD1 3.22Å
232D67.4Low76.9Confident77 Ų7759.9 Ų59.941%0.41237%0.365SS..  trans-61.8138.8175.9-65.1-20.8000111.9K251 Q252 W253D232-K251 WeakPolarHBondContact CA-O 3.48Å; D232-Q252 WeakPolarHBondContact OD1-CA 3.46Å; D232-Q252 PolarHBondContact OD2-NE2 3.12Å; D232-Q252 PolarHBondContact OD2-OE1 2.98Å; D232-W253 PolarHBondContact OD1-N 3Å
233V83.1Confident76.6Confident8 Ų862.8 Ų62.85%0.04840%0.395CS..EExtended strand (participates in β ladder)trans-102.7118.1179.4-177.10000108.9P223 F225 F235 S250 K251 F295P223-V233 HydrophobicContact CG-CG1 3.72Å; F225-V233 HydrophobicContact CE1-CG1 4.34Å; F225-V233 HydrophobicContact CZ-CG1 4.23Å; V233-F235 HydrophobicContact CG1-CD2 4.16Å; V233-F235 HydrophobicContact CG1-CE2 3.5Å; V233-F235 HydrophobicContact CG1-CZ 4.2Å; V233-S250 CarbonylContact O-C 3.54Å; V233-S250 VanDerWaalsContact O-CA 3.27Å; V233-S250 WeakPolarHBondContact O-CA 3.42Å; V233-K251 HydrophobicContact CB-CB 4.4Å; V233-K251 PolarHBondContact N-O 2.81Å; V233-K251 PolarHBondContact O-N 2.86Å; V233-F295 HydrophobicContact CB-CZ 4.06Å; V233-F295 HydrophobicContact CG1-CZ 4.14Å; V233-F295 HydrophobicContact CG2-CE1 4.24Å; V233-F295 HydrophobicContact CG2-CZ 3.89Å
234N88.7Confident76.8Confident55 Ų5569.4 Ų69.429%0.29442%0.423SS..EExtended strand (participates in β ladder)trans-115.3124.9-178.2-63.3-44.9000111.4P223 S250P223-N234 VanDerWaalsContact CD-O 3.31Å; P223-N234 WeakPolarHBondContact CD-O 3.46Å; N234-S250 WeakPolarHBondContact OD1-CB 3.34Å
235F92.9Very high77.6Confident4 Ų470.2 Ų70.22%0.01843%0.429CS..EExtended strand (participates in β ladder)trans-104.7113.7169.3-65.3-102.8000108.8P205 F207 L220 E221 F225 V233 R248 I249 I290 F294P205-F235 HydrophobicContact CB-CE1 4.19Å; P205-F235 HydrophobicContact CG-CE1 3.83Å; P205-F235 HydrophobicContact CG-CZ 4.5Å; F207-F235 HydrophobicContact CE2-CD1 4.37Å; F207-F235 AromaticContact CE2-CE1 3.98Å; F207-F235 HydrophobicContact CE2-CE1 3.98Å; L220-F235 HydrophobicContact CD2-CB 4.26Å; E221-F235 CarbonylContact O-C 3.56Å; E221-F235 VanDerWaalsContact O-CA 3.32Å; E221-F235 WeakPolarHBondContact O-CA 3.13Å; F225-F235 HydrophobicContact CE2-CZ 4.19Å; F225-F235 HydrophobicContact CZ-CZ 4.03Å; V233-F235 HydrophobicContact CG1-CD2 4.16Å; V233-F235 HydrophobicContact CG1-CE2 3.5Å; V233-F235 HydrophobicContact CG1-CZ 4.2Å; F235-R248 CarbonylContact O-C 3.57Å; F235-R248 WeakPolarHBondContact O-CA 3.32Å; F235-R248 WeakPolarHBondContact O-CB 3.36Å; F235-I249 HydrophobicContact CB-CB 4.25Å; F235-I249 PolarHBondContact N-O 2.62Å; F235-I249 PolarHBondContact O-N 2.71Å; F235-I290 HydrophobicContact CD1-CD1 3.88Å; F235-I290 HydrophobicContact CD2-CD1 4.11Å; F235-I290 HydrophobicContact CD2-CG2 4.18Å; F235-I290 HydrophobicContact CE1-CD1 4.08Å; F235-I290 HydrophobicContact CE1-CG1 4.26Å; F235-I290 HydrophobicContact CE1-CG2 4.36Å; F235-I290 HydrophobicContact CE2-CD1 4.29Å; F235-I290 HydrophobicContact CE2-CG2 3.46Å; F235-I290 VanDerWaalsContact CE2-CG2 3.46Å; F235-I290 HydrophobicContact CG-CD1 3.91Å; F235-I290 HydrophobicContact CZ-CD1 4.29Å; F235-I290 HydrophobicContact CZ-CG1 4.29Å; F235-I290 HydrophobicContact CZ-CG2 3.58Å; F235-F294 HydrophobicContact CE1-CE2 4.45Å; F235-F294 HydrophobicContact CZ-CD2 4.28Å; F235-F294 HydrophobicContact CZ-CE2 4.24Å
236E95.4Very high78.9Confident69 Ų6969.7 Ų69.732%0.32243%0.429SS..EExtended strand (participates in β ladder)trans-80.9131.6-177.6-63.4-61.3150.600110.6L220 E221 S245L220-E236 WeakPolarHBondContact CA-O 3.27Å; E221-E236 PolarHBondContact N-O 2.92Å; E221-E236 PolarHBondContact O-N 2.87Å; E236-S245 WeakPolarHBondContact OE2-CB 3.04Å; E236-S245 PolarHBondContact OE2-OG 2.97Å
237L96.7Very high80.8Confident2 Ų266.2 Ų66.21%0.0140%0.401CS..EExtended strand (participates in β ladder)trans-95.2124.7178.2-176.767.2000109.7L218 K219 L220 S245 I246 G247 F271 L283L218-L237 HydrophobicContact CB-CD1 3.81Å; L218-L237 HydrophobicContact CD1-CD1 4.06Å; L218-L237 HydrophobicContact CD1-CD2 4.38Å; L218-L237 HydrophobicContact CG-CD1 4.46Å; K219-L237 WeakPolarHBondContact O-CA 3.42Å; L220-L237 HydrophobicContact CD2-CB 3.91Å; L220-L237 HydrophobicContact CD2-CD1 3.77Å; L220-L237 HydrophobicContact CD2-CG 4.47Å; L220-L237 HydrophobicContact CG-CD1 3.93Å; L237-S245 CarbonylContact O-C 3.44Å; L237-S245 WeakPolarHBondContact O-CA 3.44Å; L237-S245 PolarHBondContact O-OG 2.87Å; L237-I246 HydrophobicContact CD2-CD1 4.47Å; L237-I246 HydrophobicContact CD2-CG1 4.22Å; L237-I246 HydrophobicContact CG-CD1 4.46Å; L237-I246 HydrophobicContact CG-CG1 4.07Å; L237-I246 WeakPolarHBondContact O-CG1 2.95Å; L237-I246 PolarHBondContact O-N 2.88Å; L237-G247 VanDerWaalsContact CB-C 3.48Å; L237-G247 VanDerWaalsContact CB-O 3.3Å; L237-G247 WeakPolarHBondContact CB-O 3.25Å; L237-G247 PolarHBondContact N-O 3.03Å; L237-F271 HydrophobicContact CD2-CB 4.21Å; L237-L283 HydrophobicContact CD1-CD2 3.66Å; L237-L283 HydrophobicContact CD2-CD1 3.75Å; L237-L283 HydrophobicContact CD2-CD2 4.26Å
238T96.4Very high82.7Confident22 Ų2267.3 Ų67.314%0.13539%0.394CS..EExtended strand (participates in β ladder)trans-127.5160.6179.157.60000111.1L218 K219L218-T238 WeakPolarHBondContact CA-O 3.32Å; K219-T238 PolarHBondContact N-O 2.94Å; K219-T238 PolarHBondContact O-N 3.06Å; K219-T238 PolarHBondContact O-OG1 3.23Å
239S93.5Very high85Confident48 Ų4859.8 Ų59.834%0.33635%0.354SS..EExtended strand (participates in β ladder)trans-65.2165171.1-172.30000111.4D241 G242S239-D241 PolarHBondContact O-N 3.37Å; S239-D241 VanDerWaalsContact O-N 3.13Å; S239-G242 PolarHBondContact O-N 2.76Å
240K89.8Confident86.8Confident101 Ų10156.7 Ų56.744%0.43933%0.333SS..THydrogen-bonded Turntrans-51.7-36.1178.470.6-176.8-174.3177.80113.7M217 K219 G242M217-K240 PolarHBondContact O-N 2.62Å; K219-K240 VanDerWaalsContact CE-O 3.31Å; K219-K240 WeakPolarHBondContact CE-O 3.38Å; K219-K240 PolarHBondContact NZ-O 3.46Å; K240-G242 PolarHBondContact O-N 2.88Å
241D87.8Confident88.3Confident135 Ų13551.3 Ų51.372%0.72230%0.296SS*.THydrogen-bonded Turntrans-82.5-1.6-177-57.9-47.8000112.2S239S239-D241 PolarHBondContact O-N 3.37Å; S239-D241 VanDerWaalsContact O-N 3.13Å
242G78.7Confident88.6Confident32 Ų3254.3 Ų54.333%0.3330%0.301SS..  trans76.1-167.8-170.200000111.9S239 K240S239-G242 PolarHBondContact O-N 2.76Å; K240-G242 PolarHBondContact O-N 2.88Å
243G83.6Confident88.1Confident66 Ų6656.8 Ų56.868%0.6830%0.304SS*.  trans112-147.3177.700000113.3
244Q88.5Confident86.5Confident176 Ų17660.2 Ų60.282%0.82233%0.329SS*.SBendtrans-63.3140.5-177.3-170.9-178.5800111I246Q244-I246 PolarHBondContact O-N 3.17Å
245S93.8Very high84.5Confident47 Ų4760.1 Ų60.133%0.32934%0.341SS..  trans-61.1127.6170.5-178.60000110.6E236 L237 G247E236-S245 WeakPolarHBondContact OE2-CB 3.04Å; E236-S245 PolarHBondContact OE2-OG 2.97Å; L237-S245 CarbonylContact O-C 3.44Å; L237-S245 WeakPolarHBondContact O-CA 3.44Å; L237-S245 PolarHBondContact O-OG 2.87Å; S245-G247 PolarHBondContact OG-O 3.2Å
246I95.4Very high82.1Confident68 Ų6867.5 Ų67.535%0.34938%0.38SS..  trans-103.9-1.2177.263.2169.9000112L218 L237 Q244 P272L218-I246 HydrophobicContact CD2-CD1 3.94Å; L237-I246 HydrophobicContact CD2-CD1 4.47Å; L237-I246 HydrophobicContact CD2-CG1 4.22Å; L237-I246 HydrophobicContact CG-CD1 4.46Å; L237-I246 HydrophobicContact CG-CG1 4.07Å; L237-I246 WeakPolarHBondContact O-CG1 2.95Å; L237-I246 PolarHBondContact O-N 2.88Å; Q244-I246 PolarHBondContact O-N 3.17Å; I246-P272 HydrophobicContact CB-CG 4.06Å; I246-P272 HydrophobicContact CD1-CG 4.16Å; I246-P272 HydrophobicContact CG1-CG 4.36Å; I246-P272 WeakPolarHBondContact O-CD 3.39Å
247G95Very high79.4Confident11 Ų1171.8 Ų71.811%0.11340%0.404CS..EExtended strand (participates in β ladder)trans173.2-177.8-173.900000111.1L237 S245 Q270L237-G247 VanDerWaalsContact CB-C 3.48Å; L237-G247 VanDerWaalsContact CB-O 3.3Å; L237-G247 WeakPolarHBondContact CB-O 3.25Å; L237-G247 PolarHBondContact N-O 3.03Å; S245-G247 PolarHBondContact OG-O 3.2Å; G247-Q270 CarbonylContact C-O 3.6Å; G247-Q270 WeakPolarHBondContact CA-O 3.42Å
248R94.9Very high76.4Confident100 Ų10081 Ų8138%0.37744%0.444SS..EExtended strand (participates in β ladder)trans-161157.3179.557.4-176.5155.6-176.7-6.9112.7F235 I269 Q270F235-R248 CarbonylContact O-C 3.57Å; F235-R248 WeakPolarHBondContact O-CA 3.32Å; F235-R248 WeakPolarHBondContact O-CB 3.36Å; R248-I269 CarbonylContact O-C 3.52Å; R248-I269 WeakPolarHBondContact O-CA 3.46Å; R248-Q270 HydrophobicContact CG-CB 4.22Å; R248-Q270 PolarHBondContact N-O 3.01Å; R248-Q270 PolarHBondContact O-N 2.81Å
249I94.3Very high74.1Confident3 Ų389.6 Ų89.62%0.01548%0.483CS..EExtended strand (participates in β ladder)trans-110.1122.5162.7-58.3179.9000107.3L220 F235 G268 I269 A286 C287 I290L220-I249 HydrophobicContact CD1-CD1 3.65Å; L220-I249 HydrophobicContact CD2-CD1 4.23Å; L220-I249 HydrophobicContact CD2-CG1 4.24Å; F235-I249 HydrophobicContact CB-CB 4.25Å; F235-I249 PolarHBondContact N-O 2.62Å; F235-I249 PolarHBondContact O-N 2.71Å; I249-G268 CarbonylContact C-O 3.53Å; I249-G268 VanDerWaalsContact CA-O 3.28Å; I249-G268 WeakPolarHBondContact CA-O 3.14Å; I249-I269 HydrophobicContact CG1-CG1 4.28Å; I249-I269 HydrophobicContact CG1-CG2 4.13Å; I249-I269 HydrophobicContact CG2-CG1 4.48Å; I249-A286 HydrophobicContact CD1-CB 4.11Å; I249-C287 HydrophobicContact CD1-CB 4.19Å; I249-C287 HydrophobicContact CG2-CB 4.11Å; I249-I290 HydrophobicContact CD1-CD1 4.29Å
250S89.7Confident71.5Confident9 Ų992.8 Ų92.86%0.06350%0.5CS..EExtended strand (participates in β ladder)trans-123.1139.6-179.1600000112V233 N234 F267 G268V233-S250 CarbonylContact O-C 3.54Å; V233-S250 VanDerWaalsContact O-CA 3.27Å; V233-S250 WeakPolarHBondContact O-CA 3.42Å; N234-S250 WeakPolarHBondContact OD1-CB 3.34Å; S250-F267 CarbonylContact O-C 3.56Å; S250-F267 VanDerWaalsContact O-CA 3.32Å; S250-F267 WeakPolarHBondContact O-CA 3.42Å; S250-G268 PolarHBondContact N-O 3.35Å; S250-G268 PolarHBondContact O-N 2.86Å
251K83.8Confident68.8Low12 Ų1296.5 Ų96.55%0.05252%0.516CS..EExtended strand (participates in β ladder)trans-107.1120.4164.8-169.8-178.3-170.4-75.90108.3D232 V233 D265 F267 F295D232-K251 WeakPolarHBondContact CA-O 3.48Å; V233-K251 HydrophobicContact CB-CB 4.4Å; V233-K251 PolarHBondContact N-O 2.81Å; V233-K251 PolarHBondContact O-N 2.86Å; K251-D265 IonicContact NZ-OD1 2.77Å; K251-D265 PolarHBondContact NZ-OD1 2.82Å; K251-F267 HydrophobicContact CB-CD1 3.88Å; K251-F267 HydrophobicContact CB-CE1 3.66Å; K251-F267 HydrophobicContact CB-CZ 4.37Å; K251-F267 HydrophobicContact CD-CE1 3.69Å; K251-F267 HydrophobicContact CD-CE2 4.45Å; K251-F267 HydrophobicContact CD-CZ 3.59Å; K251-F267 HydrophobicContact CG-CD1 4.1Å; K251-F267 HydrophobicContact CG-CE1 3.66Å; K251-F267 HydrophobicContact CG-CE2 4.47Å; K251-F267 HydrophobicContact CG-CZ 3.86Å; K251-F295 HydrophobicContact CB-CZ 4.33Å; K251-F295 HydrophobicContact CD-CD1 3.49Å; K251-F295 VanDerWaalsContact CD-CD1 3.49Å; K251-F295 HydrophobicContact CD-CD2 3.73Å; K251-F295 HydrophobicContact CD-CE1 3.38Å; K251-F295 HydrophobicContact CD-CE2 3.61Å; K251-F295 HydrophobicContact CD-CG 3.66Å; K251-F295 HydrophobicContact CD-CZ 3.42Å; K251-F295 VanDerWaalsContact CD-CZ 3.42Å
252Q71.3Confident66.5Low96 Ų9694.7 Ų94.745%0.44951%0.51SS..  trans-84.8130.3175.3-63.5-74.8-76.900109.3D232 N266D232-Q252 WeakPolarHBondContact OD1-CA 3.46Å; D232-Q252 PolarHBondContact OD2-NE2 3.12Å; D232-Q252 PolarHBondContact OD2-OE1 2.98Å; Q252-N266 PolarHBondContact N-O 3.14Å
253W56.6Low64.5Low128 Ų128100.4 Ų100.449%0.48553%0.533SS..  trans-87.8123.6175.4-110.689.7000110G231 D232 G255G231-W253 VanDerWaalsContact O-CD1 3.22Å; D232-W253 PolarHBondContact OD1-N 3Å; W253-G255 PolarHBondContact O-N 3.12Å; W253-G255 VanDerWaalsContact O-N 3.1Å
254S50.3Low62.9Low80 Ų8099.3 Ų99.356%0.55951%0.514SS*.THydrogen-bonded Turntrans-68-4.6-17946.10000115.1
255G46.6Very low61.4Low54 Ų5493.8 Ų93.856%0.55749%0.49SS*.THydrogen-bonded Turntrans-99.2-5-160.200000118.8W253W253-G255 PolarHBondContact O-N 3.12Å; W253-G255 VanDerWaalsContact O-N 3.1Å
256L42.7Very low60.5Low158 Ų15893 Ų9383%0.82748%0.482SS*.SBendtrans-137.492.2177.7-119108.3000111.2
257L37.3Very low60.1Low160 Ų16090.1 Ų90.184%0.83847%0.467SS*.SBendtrans71.884.6165.3-56.7169.8000118
258K35.6Very low60Low195 Ų19589.9 Ų89.985%0.84846%0.464SS*.  179.4100.1112.7-97.8171.4-179.4177.40111.5V260K258-V260 PolarHBondContact O-N 2.94Å
259E46.1Very low60Low202 Ų20285.1 Ų85.194%0.94445%0.447SS*.THydrogen-bonded Turntrans-62.739.4178.2-61.7175.213800115.7
260V39.8Very low60.1Low115 Ų11587.3 Ų87.370%0.69746%0.457SS*.THydrogen-bonded Turntrans-134.4-13.1176.3-1710000114.8K258K258-V260 PolarHBondContact O-N 2.94Å
261F32.5Very low60.4Low179 Ų17987.3 Ų87.379%0.78546%0.455SS*.SBendtrans-137.599.8176-75.6-83.1000113.2
262T39.8Very low61Low97 Ų9788.4 Ų88.460%0.59546%0.464SS*.  trans65.9101153.1520000118.7T264T262-T264 VanDerWaalsContact C-N 3.27Å; T262-T264 PolarHBondContact O-N 3.4Å
263D37.6Very low62.1Low152 Ų15287.7 Ų87.781%0.81346%0.462SS*.  trans-67.165.4168.7-162.217.8000112.5
264T48.5Very low63.9Low44 Ų4488.5 Ų88.527%0.2748%0.475SS..SBendtrans-148.2135.4178-53.20000110.4Q102 T262 N266Q102-T264 WeakPolarHBondContact O-CG2 3.39Å; T262-T264 VanDerWaalsContact C-N 3.27Å; T262-T264 PolarHBondContact O-N 3.4Å; T264-N266 PolarHBondContact O-N 3.02Å; T264-N266 PolarHBondContact O-ND2 2.99Å; T264-N266 VanDerWaalsContact O-ND2 3.12Å; T264-N266 PolarHBondContact O-OD1 3.13Å
265D57Low66Low60 Ų6086 Ų8632%0.32146%0.456SS..  trans-58.197.6168.4-75.8-61000109.3K251K251-D265 IonicContact NZ-OD1 2.77Å; K251-D265 PolarHBondContact NZ-OD1 2.82Å
266N75.3Confident68.3Low31 Ų3186.9 Ų86.917%0.16645%0.448CS..EExtended strand (participates in β ladder)trans-103.8120.1-177.3-61.8-39.8000108.9I100 H101 Q252 T264I100-N266 WeakPolarHBondContact O-CA 2.91Å; H101-N266 PolarHBondContact CE1-OD1 3.31Å; H101-N266 PolarHBondContact ND1-OD1 2.95Å; Q252-N266 PolarHBondContact N-O 3.14Å; T264-N266 PolarHBondContact O-N 3.02Å; T264-N266 PolarHBondContact O-ND2 2.99Å; T264-N266 VanDerWaalsContact O-ND2 3.12Å; T264-N266 PolarHBondContact O-OD1 3.13Å
267F88.1Confident70.8Confident6 Ų679.9 Ų79.93%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-94.2137.2168.5-66.7-94.3000110L99 I100 S250 K251 C287 D291 F295L99-F267 CarbonylContact C-O 3.55Å; L99-F267 WeakPolarHBondContact CA-O 3.36Å; I100-F267 HydrophobicContact CB-CB 4.22Å; I100-F267 PolarHBondContact N-O 3.4Å; I100-F267 PolarHBondContact O-N 2.93Å; S250-F267 CarbonylContact O-C 3.56Å; S250-F267 VanDerWaalsContact O-CA 3.32Å; S250-F267 WeakPolarHBondContact O-CA 3.42Å; K251-F267 HydrophobicContact CB-CD1 3.88Å; K251-F267 HydrophobicContact CB-CE1 3.66Å; K251-F267 HydrophobicContact CB-CZ 4.37Å; K251-F267 HydrophobicContact CD-CE1 3.69Å; K251-F267 HydrophobicContact CD-CE2 4.45Å; K251-F267 HydrophobicContact CD-CZ 3.59Å; K251-F267 HydrophobicContact CG-CD1 4.1Å; K251-F267 HydrophobicContact CG-CE1 3.66Å; K251-F267 HydrophobicContact CG-CE2 4.47Å; K251-F267 HydrophobicContact CG-CZ 3.86Å; F267-C287 VanDerWaalsContact CB-SG 3.51Å; F267-D291 HydrophobicContact CE1-CB 4.3Å; F267-D291 HydrophobicContact CE2-CB 4.04Å; F267-D291 WeakPolarHBondContact CE2-OD1 3.48Å; F267-D291 HydrophobicContact CZ-CB 3.69Å; F267-D291 WeakPolarHBondContact CZ-OD1 3.37Å; F267-F295 HydrophobicContact CE1-CD2 4.22Å; F267-F295 HydrophobicContact CE1-CE2 4.27Å; F267-F295 HydrophobicContact CZ-CD2 4.1Å
268G91.9Very high73.6Confident6 Ų675.5 Ų75.56%0.06239%0.385CS..EExtended strand (participates in β ladder)trans-113.7134.5172.300000110.7I98 I249 S250I98-G268 WeakPolarHBondContact O-CA 3.22Å; I249-G268 CarbonylContact C-O 3.53Å; I249-G268 VanDerWaalsContact CA-O 3.28Å; I249-G268 WeakPolarHBondContact CA-O 3.14Å; S250-G268 PolarHBondContact N-O 3.35Å; S250-G268 PolarHBondContact O-N 2.86Å
269I95.5Very high76.6Confident1 Ų166.5 Ų66.51%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-118.2126172.2-50.6175.1000107.3Q97 I98 I100 R248 I249 F271 L283 M284 C287Q97-I269 CarbonylContact C-O 3.54Å; Q97-I269 VanDerWaalsContact CA-O 3.26Å; Q97-I269 WeakPolarHBondContact CA-O 3.25Å; I98-I269 HydrophobicContact CB-CB 4.3Å; I98-I269 PolarHBondContact N-O 3.02Å; I98-I269 PolarHBondContact O-N 2.85Å; I100-I269 HydrophobicContact CD1-CD1 3.96Å; R248-I269 CarbonylContact O-C 3.52Å; R248-I269 WeakPolarHBondContact O-CA 3.46Å; I249-I269 HydrophobicContact CG1-CG1 4.28Å; I249-I269 HydrophobicContact CG1-CG2 4.13Å; I249-I269 HydrophobicContact CG2-CG1 4.48Å; I269-F271 HydrophobicContact CB-CE1 4.48Å; I269-F271 HydrophobicContact CG2-CD1 3.61Å; I269-F271 HydrophobicContact CG2-CE1 3.74Å; I269-L283 HydrophobicContact CG2-CB 4.28Å; I269-M284 HydrophobicContact CD1-CB 4.41Å; I269-M284 HydrophobicContact CD1-CG 4.07Å; I269-C287 HydrophobicContact CD1-CB 3.56Å; I269-C287 HydrophobicContact CG1-CB 4.05Å
270Q95.8Very high79Confident49 Ų4956.9 Ų56.923%0.22930%0.302CS..EExtended strand (participates in β ladder)trans-123.1132.9177.2-70156.443.500108.6D96 Q97 G247 R248D96-Q270 WeakPolarHBondContact O-CA 3.42Å; Q97-Q270 HydrophobicContact CG-CG 4.05Å; G247-Q270 CarbonylContact C-O 3.6Å; G247-Q270 WeakPolarHBondContact CA-O 3.42Å; R248-Q270 HydrophobicContact CG-CB 4.22Å; R248-Q270 PolarHBondContact N-O 3.01Å; R248-Q270 PolarHBondContact O-N 2.81Å
271F96.3Very high81.7Confident8 Ų851.4 Ų51.44%0.03527%0.268CS..  trans-151164.6178.942.6-112.6000110.3I95 D96 I98 L237 I269 L275 K280 L283I95-F271 WeakPolarHBondContact O-CE2 3.07Å; D96-F271 WeakPolarHBondContact CB-O 3.42Å; D96-F271 WeakPolarHBondContact O-CD2 3.18Å; D96-F271 PolarHBondContact O-N 3.27Å; D96-F271 VanDerWaalsContact O-O 3.08Å; I98-F271 HydrophobicContact CD1-CE1 3.93Å; I98-F271 HydrophobicContact CD1-CZ 3.81Å; I98-F271 HydrophobicContact CG1-CE1 4.22Å; I98-F271 HydrophobicContact CG1-CZ 3.95Å; L237-F271 HydrophobicContact CD2-CB 4.21Å; I269-F271 HydrophobicContact CB-CE1 4.48Å; I269-F271 HydrophobicContact CG2-CD1 3.61Å; I269-F271 HydrophobicContact CG2-CE1 3.74Å; F271-L275 HydrophobicContact CB-CD2 3.74Å; F271-L275 HydrophobicContact CG-CD2 4.18Å; F271-K280 HydrophobicContact CD1-CG 4.33Å; F271-K280 HydrophobicContact CD2-CD 3.83Å; F271-K280 VanDerWaalsContact CD2-CE 3.49Å; F271-K280 HydrophobicContact CD2-CG 3.82Å; F271-K280 HydrophobicContact CE1-CB 4.19Å; F271-K280 HydrophobicContact CE1-CG 4.15Å; F271-K280 HydrophobicContact CE2-CB 4.36Å; F271-K280 HydrophobicContact CE2-CD 3.3Å; F271-K280 HydrophobicContact CE2-CG 3.61Å; F271-K280 HydrophobicContact CG-CG 4.2Å; F271-K280 HydrophobicContact CZ-CB 4.03Å; F271-K280 HydrophobicContact CZ-CD 3.74Å; F271-K280 HydrophobicContact CZ-CG 3.79Å; F271-L283 HydrophobicContact CB-CD1 4.05Å; F271-L283 HydrophobicContact CD1-CD1 3.83Å; F271-L283 HydrophobicContact CG-CD1 4.28Å
272P95.9Very high84.9Confident36 Ų3642.9 Ų42.923%0.23423%0.231CC..  trans-59.4142.8176.3-24.235.7000112.4I246 D274 L275I246-P272 HydrophobicContact CB-CG 4.06Å; I246-P272 HydrophobicContact CD1-CG 4.16Å; I246-P272 HydrophobicContact CG1-CG 4.36Å; I246-P272 WeakPolarHBondContact O-CD 3.39Å; P272-D274 WeakPolarHBondContact CB-OD1 3.17Å; P272-D274 PolarHBondContact O-N 3.02Å; P272-L275 HydrophobicContact CB-CB 4.42Å; P272-L275 VanDerWaalsContact O-CB 3.25Å; P272-L275 WeakPolarHBondContact O-CB 3.35Å; P272-L275 PolarHBondContact O-N 3.42Å; P272-L275 VanDerWaalsContact O-N 3.1Å
273M94.4Very high87.6Confident81 Ų8138.3 Ų38.340%0.39920%0.203SC..THydrogen-bonded Turntrans-55.7-40.6179.4-177.666.1-90.200111.6T93 Q94 I95 D96 L275 K280T93-M273 WeakPolarHBondContact O-CE 3.5Å; Q94-M273 VanDerWaalsContact C-CE 3.49Å; I95-M273 VanDerWaalsContact C-CE 3.49Å; I95-M273 VanDerWaalsContact N-CE 3.32Å; I95-M273 WeakPolarHBondContact O-CE 3.43Å; D96-M273 HydrophobicContact CB-CB 4.34Å; D96-M273 HydrophobicContact CB-SD 4.44Å; M273-L275 VanDerWaalsContact C-N 3.34Å; M273-L275 PolarHBondContact O-N 2.97Å; M273-K280 PolarHBondContact O-NZ 2.8Å
274D94Very high90.4Very high145 Ų14531.1 Ų31.178%0.77516%0.164SC*.THydrogen-bonded Turntrans-84.82.5-178.664.4-31000114.6P272P272-D274 WeakPolarHBondContact CB-OD1 3.17Å; P272-D274 PolarHBondContact O-N 3.02Å
275L95.3Very high92.7Very high28 Ų2829 Ų2915%0.14715%0.151CC..SBendtrans-60.5139.5176.7-176.865000111L218 F271 P272 M273 V277 M279 K280 L283L218-L275 HydrophobicContact CD1-CD1 4.06Å; L218-L275 HydrophobicContact CD1-CD2 4.08Å; L218-L275 HydrophobicContact CD2-CD1 4.47Å; F271-L275 HydrophobicContact CB-CD2 3.74Å; F271-L275 HydrophobicContact CG-CD2 4.18Å; P272-L275 HydrophobicContact CB-CB 4.42Å; P272-L275 VanDerWaalsContact O-CB 3.25Å; P272-L275 WeakPolarHBondContact O-CB 3.35Å; P272-L275 PolarHBondContact O-N 3.42Å; P272-L275 VanDerWaalsContact O-N 3.1Å; M273-L275 VanDerWaalsContact C-N 3.34Å; M273-L275 PolarHBondContact O-N 2.97Å; L275-V277 PolarHBondContact O-N 3.01Å; L275-M279 HydrophobicContact CD1-CB 4.2Å; L275-M279 HydrophobicContact CD2-CB 4.27Å; L275-M279 HydrophobicContact CG-CB 4.15Å; L275-K280 HydrophobicContact CB-CG 4.33Å; L275-K280 HydrophobicContact CD2-CG 4.08Å; L275-K280 HydrophobicContact CG-CG 4.28Å; L275-K280 WeakPolarHBondContact O-CE 3.32Å; L275-L283 HydrophobicContact CD2-CD1 3.66Å
276D94.8Very high94.5Very high72 Ų7226.1 Ų26.139%0.38514%0.136SC..  trans-50.8127175.5-177.1-11.6000110.2K278 M279 K280D276-K278 PolarHBondContact O-N 3.36Å; D276-K278 WeakPolarHBondContact OD1-CE 3.36Å; D276-K278 PolarHBondContact OD1-N 2.82Å; D276-K278 WeakPolarHBondContact OD2-CE 3.11Å; D276-K278 IonicContact OD2-NZ 3.69Å; D276-M279 HydrophobicContact CB-CB 4.42Å; D276-M279 HydrophobicContact CB-CG 4.09Å; D276-M279 WeakPolarHBondContact O-CA 3.06Å; D276-M279 WeakPolarHBondContact O-CB 3.46Å; D276-M279 PolarHBondContact O-N 3.24Å; D276-K280 PolarHBondContact O-N 2.8Å
277V95.8Very high95.4Very high10 Ų1024.8 Ų24.86%0.06113%0.129CC..Hα-helixtrans-54.3-35.5179.5171.10000112V85 L89 L92 T93 L275 M279 K280 A281V85-V277 HydrophobicContact CG1-CB 4.42Å; V85-V277 HydrophobicContact CG1-CG1 3.95Å; V85-V277 HydrophobicContact CG1-CG2 4.45Å; V85-V277 HydrophobicContact CG2-CG2 4.24Å; L89-V277 HydrophobicContact CB-CG1 3.57Å; L89-V277 HydrophobicContact CD2-CG1 4.02Å; L89-V277 HydrophobicContact CG-CG1 4.38Å; L92-V277 HydrophobicContact CB-CG1 3.94Å; L92-V277 HydrophobicContact CB-CG2 4.41Å; L92-V277 HydrophobicContact CD1-CG1 4.16Å; T93-V277 HydrophobicContact CG2-CG2 3.48Å; T93-V277 VanDerWaalsContact CG2-CG2 3.48Å; L275-V277 PolarHBondContact O-N 3.01Å; V277-M279 VanDerWaalsContact C-N 3.32Å; V277-M279 PolarHBondContact O-N 2.67Å; V277-K280 WeakPolarHBondContact O-CB 3.49Å; V277-K280 PolarHBondContact O-N 2.97Å; V277-A281 PolarHBondContact O-N 2.87Å
278K96.4Very high95.6Very high68 Ų6824.7 Ų24.730%0.29613%0.128SC..Hα-helixtrans-61.9-41.9174.3-70.2176-68.3179.40111P86 V193 D276 A281 V282P86-K278 HydrophobicContact CG-CG 4.07Å; V193-K278 HydrophobicContact CB-CB 4.15Å; V193-K278 HydrophobicContact CB-CD 4.37Å; V193-K278 HydrophobicContact CB-CG 4.1Å; V193-K278 HydrophobicContact CG1-CD 4.23Å; V193-K278 HydrophobicContact CG1-CG 4.05Å; D276-K278 PolarHBondContact O-N 3.36Å; D276-K278 WeakPolarHBondContact OD1-CE 3.36Å; D276-K278 PolarHBondContact OD1-N 2.82Å; D276-K278 WeakPolarHBondContact OD2-CE 3.11Å; D276-K278 IonicContact OD2-NZ 3.69Å; K278-A281 WeakPolarHBondContact O-CB 3.1Å; K278-A281 PolarHBondContact O-N 3.15Å; K278-V282 WeakPolarHBondContact O-CG2 3.42Å; K278-V282 PolarHBondContact O-N 3.12Å
279M96.9Very high95.5Very high7 Ų724.4 Ų24.43%0.03413%0.126CC..Hα-helixtrans-70.9-34.2178-61.1-59.898.600111.7I209 M217 L218 L275 D276 V277 A281 V282 L283I209-M279 HydrophobicContact CG2-SD 4.23Å; M217-M279 HydrophobicContact CB-SD 3.99Å; M217-M279 HydrophobicContact CG-SD 3.98Å; L218-M279 HydrophobicContact CD1-CB 4.34Å; L275-M279 HydrophobicContact CD1-CB 4.2Å; L275-M279 HydrophobicContact CD2-CB 4.27Å; L275-M279 HydrophobicContact CG-CB 4.15Å; D276-M279 HydrophobicContact CB-CB 4.42Å; D276-M279 HydrophobicContact CB-CG 4.09Å; D276-M279 WeakPolarHBondContact O-CA 3.06Å; D276-M279 WeakPolarHBondContact O-CB 3.46Å; D276-M279 PolarHBondContact O-N 3.24Å; V277-M279 VanDerWaalsContact C-N 3.32Å; V277-M279 PolarHBondContact O-N 2.67Å; M279-A281 VanDerWaalsContact C-N 3.28Å; M279-A281 PolarHBondContact O-N 3.31Å; M279-V282 HydrophobicContact CE-CG2 4.04Å; M279-V282 PolarHBondContact O-N 2.87Å; M279-L283 WeakPolarHBondContact O-CG 2.95Å; M279-L283 PolarHBondContact O-N 3.45Å
280K97.4Very high95.1Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-58.4-40.9169.4-63.1-179.4178.4-174.90111.4L92 I95 F271 M273 L275 D276 V277 L283 M284L92-K280 HydrophobicContact CB-CD 4.26Å; L92-K280 HydrophobicContact CD1-CB 4.4Å; L92-K280 WeakPolarHBondContact O-CD 3.49Å; L92-K280 PolarHBondContact O-NZ 3.31Å; I95-K280 PolarHBondContact O-NZ 3.2Å; F271-K280 HydrophobicContact CD1-CG 4.33Å; F271-K280 HydrophobicContact CD2-CD 3.83Å; F271-K280 VanDerWaalsContact CD2-CE 3.49Å; F271-K280 HydrophobicContact CD2-CG 3.82Å; F271-K280 HydrophobicContact CE1-CB 4.19Å; F271-K280 HydrophobicContact CE1-CG 4.15Å; F271-K280 HydrophobicContact CE2-CB 4.36Å; F271-K280 HydrophobicContact CE2-CD 3.3Å; F271-K280 HydrophobicContact CE2-CG 3.61Å; F271-K280 HydrophobicContact CG-CG 4.2Å; F271-K280 HydrophobicContact CZ-CB 4.03Å; F271-K280 HydrophobicContact CZ-CD 3.74Å; F271-K280 HydrophobicContact CZ-CG 3.79Å; M273-K280 PolarHBondContact O-NZ 2.8Å; L275-K280 HydrophobicContact CB-CG 4.33Å; L275-K280 HydrophobicContact CD2-CG 4.08Å; L275-K280 HydrophobicContact CG-CG 4.28Å; L275-K280 WeakPolarHBondContact O-CE 3.32Å; D276-K280 PolarHBondContact O-N 2.8Å; V277-K280 WeakPolarHBondContact O-CB 3.49Å; V277-K280 PolarHBondContact O-N 2.97Å; K280-L283 PolarHBondContact O-N 3.19Å; K280-M284 PolarHBondContact O-N 3.1Å
281A97.4Very high94.6Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-64.7-4217400000112.6L89 I163 V185 V277 K278 M279 L283 M284 G285L89-A281 HydrophobicContact CD2-CB 3.85Å; I163-A281 HydrophobicContact CD1-CB 3.78Å; I163-A281 HydrophobicContact CG1-CB 4.43Å; V185-A281 HydrophobicContact CG1-CB 4.43Å; V277-A281 PolarHBondContact O-N 2.87Å; K278-A281 WeakPolarHBondContact O-CB 3.1Å; K278-A281 PolarHBondContact O-N 3.15Å; M279-A281 VanDerWaalsContact C-N 3.28Å; M279-A281 PolarHBondContact O-N 3.31Å; A281-L283 VanDerWaalsContact C-N 3.31Å; A281-L283 PolarHBondContact O-N 2.65Å; A281-M284 HydrophobicContact CB-CE 4.21Å; A281-M284 WeakPolarHBondContact O-CB 3.32Å; A281-M284 PolarHBondContact O-N 3.4Å; A281-G285 PolarHBondContact O-N 2.7Å; A281-G285 VanDerWaalsContact O-N 3.09Å
282V97.9Very high93.7Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-64.6-35.9176-175.90000111.5V185 V193 V196 I209 K278 M279 G285 A286V185-V282 HydrophobicContact CB-CG2 4.18Å; V185-V282 HydrophobicContact CG1-CG2 4.46Å; V185-V282 HydrophobicContact CG2-CG1 4.35Å; V185-V282 HydrophobicContact CG2-CG2 4.47Å; V193-V282 HydrophobicContact CG2-CG2 4.33Å; V196-V282 HydrophobicContact CG2-CG1 3.61Å; V196-V282 WeakPolarHBondContact CG2-O 3.48Å; I209-V282 HydrophobicContact CG2-CB 4.09Å; I209-V282 HydrophobicContact CG2-CG1 3.68Å; K278-V282 WeakPolarHBondContact O-CG2 3.42Å; K278-V282 PolarHBondContact O-N 3.12Å; M279-V282 HydrophobicContact CE-CG2 4.04Å; M279-V282 PolarHBondContact O-N 2.87Å; V282-G285 CarbonylContact O-C 3.53Å; V282-G285 WeakPolarHBondContact O-CA 3.46Å; V282-G285 PolarHBondContact O-N 3.17Å; V282-G285 VanDerWaalsContact O-N 3.13Å; V282-A286 PolarHBondContact O-N 3.26Å
283L97.9Very high92.8Very high1 Ų121.8 Ų21.81%0.00511%0.111CC..Hα-helixtrans-66.9-38.4174.9-71.4171.9000113.1I209 L218 L220 L237 I269 F271 L275 M279 K280 A281 G285 A286 C287I209-L283 HydrophobicContact CD1-CD2 4.12Å; I209-L283 HydrophobicContact CG1-CD2 3.96Å; L218-L283 HydrophobicContact CD1-CD1 4.33Å; L220-L283 HydrophobicContact CD1-CD2 4.16Å; L237-L283 HydrophobicContact CD1-CD2 3.66Å; L237-L283 HydrophobicContact CD2-CD1 3.75Å; L237-L283 HydrophobicContact CD2-CD2 4.26Å; I269-L283 HydrophobicContact CG2-CB 4.28Å; F271-L283 HydrophobicContact CB-CD1 4.05Å; F271-L283 HydrophobicContact CD1-CD1 3.83Å; F271-L283 HydrophobicContact CG-CD1 4.28Å; L275-L283 HydrophobicContact CD2-CD1 3.66Å; M279-L283 WeakPolarHBondContact O-CG 2.95Å; M279-L283 PolarHBondContact O-N 3.45Å; K280-L283 PolarHBondContact O-N 3.19Å; A281-L283 VanDerWaalsContact C-N 3.31Å; A281-L283 PolarHBondContact O-N 2.65Å; L283-G285 PolarHBondContact O-N 2.72Å; L283-A286 WeakPolarHBondContact O-CB 2.97Å; L283-A286 PolarHBondContact O-N 2.89Å; L283-A286 VanDerWaalsContact O-N 3.14Å; L283-C287 PolarHBondContact O-N 2.97Å
284M96.7Very high91.8Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-57.2-43.2168.5-73.7-171.7-7500110.6L92 I98 I121 I163 I269 K280 A281 C287 F288L92-M284 HydrophobicContact CD1-CE 3.69Å; L92-M284 HydrophobicContact CD2-CE 4.46Å; I98-M284 HydrophobicContact CD1-CE 4.38Å; I98-M284 HydrophobicContact CD1-CG 3.66Å; I98-M284 HydrophobicContact CD1-SD 3.6Å; I121-M284 HydrophobicContact CD1-SD 4.32Å; I121-M284 HydrophobicContact CG2-SD 4.39Å; I163-M284 HydrophobicContact CD1-CE 3.35Å; I269-M284 HydrophobicContact CD1-CB 4.41Å; I269-M284 HydrophobicContact CD1-CG 4.07Å; K280-M284 PolarHBondContact O-N 3.1Å; A281-M284 HydrophobicContact CB-CE 4.21Å; A281-M284 WeakPolarHBondContact O-CB 3.32Å; A281-M284 PolarHBondContact O-N 3.4Å; M284-C287 WeakPolarHBondContact O-CB 3.39Å; M284-C287 PolarHBondContact O-N 3.3Å; M284-F288 VanDerWaalsContact O-CD2 3.27Å; M284-F288 WeakPolarHBondContact O-CD2 3.22Å; M284-F288 PolarHBondContact O-N 2.77Å
285G95.7Very high90.6Very high0 Ų014.9 Ų14.90%07%0.072CC..Hα-helixtrans-56.3-49.9171.800000113.1M183 A281 V282 L283 C287 F288 L289M183-G285 WeakPolarHBondContact CE-O 3.44Å; A281-G285 PolarHBondContact O-N 2.7Å; A281-G285 VanDerWaalsContact O-N 3.09Å; V282-G285 CarbonylContact O-C 3.53Å; V282-G285 WeakPolarHBondContact O-CA 3.46Å; V282-G285 PolarHBondContact O-N 3.17Å; V282-G285 VanDerWaalsContact O-N 3.13Å; L283-G285 PolarHBondContact O-N 2.72Å; G285-C287 PolarHBondContact O-N 2.8Å; G285-F288 PolarHBondContact O-N 3.26Å; G285-F288 VanDerWaalsContact O-N 3.12Å; G285-L289 PolarHBondContact O-N 3.31Å
286A96.1Very high89.1Confident0 Ų015.9 Ų15.90%08%0.076CC..Hα-helixtrans-58.2-38.2-179.700000111.9V196 I209 L220 I249 V282 L283 L289 I290V196-A286 HydrophobicContact CB-CB 4.5Å; V196-A286 HydrophobicContact CG1-CB 3.81Å; V196-A286 HydrophobicContact CG2-CB 3.84Å; I209-A286 HydrophobicContact CD1-CB 3.83Å; L220-A286 HydrophobicContact CD1-CB 3.72Å; I249-A286 HydrophobicContact CD1-CB 4.11Å; V282-A286 PolarHBondContact O-N 3.26Å; L283-A286 WeakPolarHBondContact O-CB 2.97Å; L283-A286 PolarHBondContact O-N 2.89Å; L283-A286 VanDerWaalsContact O-N 3.14Å; A286-L289 PolarHBondContact O-N 2.77Å; A286-I290 WeakPolarHBondContact O-CB 3.43Å; A286-I290 WeakPolarHBondContact O-CD1 3.48Å; A286-I290 VanDerWaalsContact O-CG1 3.22Å; A286-I290 WeakPolarHBondContact O-CG1 2.99Å; A286-I290 PolarHBondContact O-N 2.6Å
287C94.3Very high86.8Confident2 Ų217.9 Ų17.91%0.0148%0.081CC..Hα-helixtrans-59.5-48.6175-169.40000112.3I100 I249 F267 I269 L283 M284 G285 L289 I290 D291I100-C287 HydrophobicContact CD1-CB 4.15Å; I249-C287 HydrophobicContact CD1-CB 4.19Å; I249-C287 HydrophobicContact CG2-CB 4.11Å; F267-C287 VanDerWaalsContact CB-SG 3.51Å; I269-C287 HydrophobicContact CD1-CB 3.56Å; I269-C287 HydrophobicContact CG1-CB 4.05Å; L283-C287 PolarHBondContact O-N 2.97Å; M284-C287 WeakPolarHBondContact O-CB 3.39Å; M284-C287 PolarHBondContact O-N 3.3Å; G285-C287 PolarHBondContact O-N 2.8Å; C287-L289 VanDerWaalsContact C-N 3.35Å; C287-L289 PolarHBondContact O-N 3.4Å; C287-I290 PolarHBondContact O-N 3.08Å; C287-D291 PolarHBondContact O-N 3.34Å
288F91.9Very high84.4Confident4 Ų420.5 Ų20.52%0.01810%0.097CC..Hα-helixtrans-66.3-35.8177.2-76.2-67000112.7I100 Y119 I121 A132 F150 M152 I154 L165 M284 G285 I290 D291 F292I100-F288 HydrophobicContact CD1-CD2 4.44Å; I100-F288 HydrophobicContact CD1-CE2 3.88Å; I100-F288 HydrophobicContact CD1-CZ 3.98Å; I100-F288 HydrophobicContact CG2-CE1 3.93Å; I100-F288 HydrophobicContact CG2-CZ 3.77Å; Y119-F288 AromaticContact CD1-CE1 3.97Å; Y119-F288 HydrophobicContact CD1-CE1 3.97Å; Y119-F288 AromaticContact CD2-CE1 3.74Å; Y119-F288 HydrophobicContact CD2-CE1 3.74Å; Y119-F288 HydrophobicContact CD2-CZ 4.44Å; Y119-F288 HydrophobicContact CE1-CE1 4.2Å; Y119-F288 HydrophobicContact CE2-CE1 4.01Å; Y119-F288 AromaticContact CG-CE1 3.72Å; Y119-F288 HydrophobicContact CG-CE1 3.72Å; Y119-F288 HydrophobicContact CG-CZ 4.28Å; I121-F288 HydrophobicContact CD1-CE2 4.24Å; I121-F288 HydrophobicContact CD1-CZ 4.38Å; A132-F288 HydrophobicContact CB-CE1 4.41Å; A132-F288 HydrophobicContact CB-CE2 4.29Å; A132-F288 HydrophobicContact CB-CZ 3.72Å; F150-F288 HydrophobicContact CZ-CB 4.07Å; M152-F288 HydrophobicContact CE-CD1 3.85Å; M152-F288 HydrophobicContact CE-CE1 4.01Å; M152-F288 HydrophobicContact CE-CG 4.47Å; M152-F288 HydrophobicContact SD-CB 4.5Å; M152-F288 HydrophobicContact SD-CD1 3.55Å; M152-F288 VanDerWaalsContact SD-CD1 3.55Å; M152-F288 HydrophobicContact SD-CD2 3.95Å; M152-F288 HydrophobicContact SD-CE1 3.58Å; M152-F288 VanDerWaalsContact SD-CE1 3.58Å; M152-F288 HydrophobicContact SD-CE2 3.97Å; M152-F288 HydrophobicContact SD-CG 3.74Å; M152-F288 HydrophobicContact SD-CZ 3.79Å; I154-F288 HydrophobicContact CD1-CE2 4.14Å; L165-F288 HydrophobicContact CD1-CB 4.04Å; L165-F288 HydrophobicContact CD1-CD2 3.58Å; L165-F288 HydrophobicContact CD1-CE2 4.39Å; L165-F288 HydrophobicContact CD1-CG 4.09Å; M284-F288 VanDerWaalsContact O-CD2 3.27Å; M284-F288 WeakPolarHBondContact O-CD2 3.22Å; M284-F288 PolarHBondContact O-N 2.77Å; G285-F288 PolarHBondContact O-N 3.26Å; G285-F288 VanDerWaalsContact O-N 3.12Å; F288-I290 VanDerWaalsContact C-N 3.35Å; F288-D291 PolarHBondContact O-N 3.47Å; F288-F292 WeakPolarHBondContact O-CB 3.47Å; F288-F292 PolarHBondContact O-N 3.32Å
289L89.4Confident81.7Confident1 Ų119.3 Ų19.31%0.00510%0.104CC..Hα-helixtrans-64.5-40.8174.9-177.661.1000111.6Q181 M183 V196 F207 G285 A286 C287 M293Q181-L289 HydrophobicContact CB-CD1 4.32Å; Q181-L289 HydrophobicContact CB-CD2 4.5Å; M183-L289 HydrophobicContact CB-CD1 4.46Å; M183-L289 HydrophobicContact CB-CD2 4.06Å; M183-L289 HydrophobicContact CE-CB 4.2Å; M183-L289 HydrophobicContact SD-CB 4.15Å; V196-L289 HydrophobicContact CB-CD2 4.12Å; V196-L289 HydrophobicContact CG1-CD2 3.76Å; F207-L289 HydrophobicContact CE1-CD2 4.33Å; G285-L289 PolarHBondContact O-N 3.31Å; A286-L289 PolarHBondContact O-N 2.77Å; C287-L289 VanDerWaalsContact C-N 3.35Å; C287-L289 PolarHBondContact O-N 3.4Å; L289-M293 HydrophobicContact CD1-CG 4.15Å; L289-M293 HydrophobicContact CD1-SD 3.96Å; L289-M293 HydrophobicContact CD2-SD 4.36Å; L289-M293 HydrophobicContact CG-CG 4.41Å; L289-M293 HydrophobicContact CG-SD 3.79Å; L289-M293 WeakPolarHBondContact O-CB 3.4Å; L289-M293 WeakPolarHBondContact O-CG 2.94Å; L289-M293 PolarHBondContact O-N 3.41Å
290I87.6Confident79Confident1 Ų123.9 Ų23.91%0.00513%0.125CC..Hα-helixtrans-63.1-46.2175.2-72.7163.9000110.6F207 F235 I249 A286 C287 F288 M293 F294 F295F207-I290 HydrophobicContact CE2-CD1 4.39Å; F207-I290 HydrophobicContact CE2-CG1 3.98Å; F207-I290 HydrophobicContact CZ-CG1 4.1Å; F235-I290 HydrophobicContact CD1-CD1 3.88Å; F235-I290 HydrophobicContact CD2-CD1 4.11Å; F235-I290 HydrophobicContact CD2-CG2 4.18Å; F235-I290 HydrophobicContact CE1-CD1 4.08Å; F235-I290 HydrophobicContact CE1-CG1 4.26Å; F235-I290 HydrophobicContact CE1-CG2 4.36Å; F235-I290 HydrophobicContact CE2-CD1 4.29Å; F235-I290 HydrophobicContact CE2-CG2 3.46Å; F235-I290 VanDerWaalsContact CE2-CG2 3.46Å; F235-I290 HydrophobicContact CG-CD1 3.91Å; F235-I290 HydrophobicContact CZ-CD1 4.29Å; F235-I290 HydrophobicContact CZ-CG1 4.29Å; F235-I290 HydrophobicContact CZ-CG2 3.58Å; I249-I290 HydrophobicContact CD1-CD1 4.29Å; A286-I290 WeakPolarHBondContact O-CB 3.43Å; A286-I290 WeakPolarHBondContact O-CD1 3.48Å; A286-I290 VanDerWaalsContact O-CG1 3.22Å; A286-I290 WeakPolarHBondContact O-CG1 2.99Å; A286-I290 PolarHBondContact O-N 2.6Å; C287-I290 PolarHBondContact O-N 3.08Å; F288-I290 VanDerWaalsContact C-N 3.35Å; I290-M293 PolarHBondContact O-N 2.97Å; I290-F294 HydrophobicContact CG2-CD2 4.1Å; I290-F294 WeakPolarHBondContact O-CD2 3.16Å; I290-F294 PolarHBondContact O-N 3.35Å; I290-F295 HydrophobicContact CG2-CE2 4.11Å
291D83.8Confident76.1Confident9 Ų927 Ų275%0.04815%0.152CC..Hα-helixtrans-54.5-53.4175.4-171.936.6000111.4Y119 F267 C287 F288 M293 F295 E296Y119-D291 PolarHBondContact OH-OD2 3.11Å; Y119-D291 VanDerWaalsContact OH-OD2 3.12Å; F267-D291 HydrophobicContact CE1-CB 4.3Å; F267-D291 HydrophobicContact CE2-CB 4.04Å; F267-D291 WeakPolarHBondContact CE2-OD1 3.48Å; F267-D291 HydrophobicContact CZ-CB 3.69Å; F267-D291 WeakPolarHBondContact CZ-OD1 3.37Å; C287-D291 PolarHBondContact O-N 3.34Å; F288-D291 PolarHBondContact O-N 3.47Å; D291-M293 PolarHBondContact O-N 2.93Å; D291-F295 WeakPolarHBondContact O-CA 3.5Å; D291-F295 PolarHBondContact O-N 3.35Å; D291-E296 PolarHBondContact O-N 3.13Å; D291-E296 VanDerWaalsContact O-N 3.13Å
292F79.1Confident72.9Confident3 Ų332.7 Ų32.71%0.01318%0.182CC..Hα-helixtrans-58.8-41.8177.8-179.4-89.2000113.2S146 R148 F150 R167 F288 E296S146-F292 WeakPolarHBondContact O-CE1 3.26Å; R148-F292 HydrophobicContact CG-CE2 4.03Å; R148-F292 HydrophobicContact CG-CZ 3.98Å; F150-F292 HydrophobicContact CB-CE2 4.31Å; F150-F292 AromaticContact CD2-CD2 3.81Å; F150-F292 HydrophobicContact CD2-CD2 3.81Å; F150-F292 HydrophobicContact CD2-CE2 4.23Å; F150-F292 HydrophobicContact CD2-CG 4.48Å; F150-F292 HydrophobicContact CE2-CD2 4.42Å; F150-F292 HydrophobicContact CG-CD2 4.47Å; R167-F292 VanDerWaalsContact NH1-CE1 3.34Å; F288-F292 WeakPolarHBondContact O-CB 3.47Å; F288-F292 PolarHBondContact O-N 3.32Å; F292-E296 WeakPolarHBondContact CD2-OE2 3.18Å; F292-E296 WeakPolarHBondContact CE2-OE2 3.16Å
293M76.9Confident69.8Low26 Ų2640.4 Ų40.413%0.12822%0.218CC..Hα-helixtrans-75.1-41.4-175.3-76.7175.663.800113.6Q181 Q198 F207 L289 I290 D291Q181-M293 HydrophobicContact CB-CE 4.12Å; Q181-M293 HydrophobicContact CB-SD 3.64Å; Q181-M293 HydrophobicContact CG-CE 3.64Å; Q181-M293 HydrophobicContact CG-CG 4.06Å; Q181-M293 HydrophobicContact CG-SD 3.56Å; Q181-M293 VanDerWaalsContact CG-SD 3.56Å; Q198-M293 VanDerWaalsContact CD-CE 3.46Å; Q198-M293 HydrophobicContact CG-CE 4.36Å; F207-M293 HydrophobicContact CE1-CE 4.13Å; F207-M293 HydrophobicContact CE1-SD 3.8Å; F207-M293 HydrophobicContact CZ-CE 4.06Å; F207-M293 HydrophobicContact CZ-SD 4.02Å; L289-M293 HydrophobicContact CD1-CG 4.15Å; L289-M293 HydrophobicContact CD1-SD 3.96Å; L289-M293 HydrophobicContact CD2-SD 4.36Å; L289-M293 HydrophobicContact CG-CG 4.41Å; L289-M293 HydrophobicContact CG-SD 3.79Å; L289-M293 WeakPolarHBondContact O-CB 3.4Å; L289-M293 WeakPolarHBondContact O-CG 2.94Å; L289-M293 PolarHBondContact O-N 3.41Å; I290-M293 PolarHBondContact O-N 2.97Å; D291-M293 PolarHBondContact O-N 2.93Å
294F73.1Confident66.6Low49 Ų4951.2 Ų51.222%0.21526%0.258CS..Hα-helixtrans-110.6-25.2-167.1-63.7-70.8000114.2P205 F207 F225 F235 I290 V298P205-F294 HydrophobicContact CB-CE2 4.31Å; P205-F294 HydrophobicContact CB-CZ 3.78Å; F207-F294 HydrophobicContact CE2-CE2 4.3Å; F207-F294 AromaticContact CZ-CE2 3.94Å; F207-F294 HydrophobicContact CZ-CE2 3.94Å; F207-F294 HydrophobicContact CZ-CZ 4.49Å; F225-F294 HydrophobicContact CD2-CD1 4.06Å; F225-F294 AromaticContact CD2-CE1 3.71Å; F225-F294 HydrophobicContact CD2-CE1 3.71Å; F225-F294 HydrophobicContact CD2-CZ 4.22Å; F225-F294 HydrophobicContact CE1-CD1 4.43Å; F225-F294 AromaticContact CE2-CD1 3.49Å; F225-F294 HydrophobicContact CE2-CD1 3.49Å; F225-F294 VanDerWaalsContact CE2-CD1 3.49Å; F225-F294 HydrophobicContact CE2-CD2 4.11Å; F225-F294 AromaticContact CE2-CE1 3.33Å; F225-F294 HydrophobicContact CE2-CE1 3.33Å; F225-F294 AromaticContact CE2-CE2 3.96Å; F225-F294 HydrophobicContact CE2-CE2 3.96Å; F225-F294 AromaticContact CE2-CG 3.89Å; F225-F294 HydrophobicContact CE2-CG 3.89Å; F225-F294 AromaticContact CE2-CZ 3.59Å; F225-F294 HydrophobicContact CE2-CZ 3.59Å; F225-F294 HydrophobicContact CZ-CB 4.25Å; F225-F294 AromaticContact CZ-CD1 3.72Å; F225-F294 HydrophobicContact CZ-CD1 3.72Å; F225-F294 HydrophobicContact CZ-CD2 4.17Å; F225-F294 HydrophobicContact CZ-CE1 4.07Å; F225-F294 HydrophobicContact CZ-CE2 4.46Å; F225-F294 AromaticContact CZ-CG 3.78Å; F225-F294 HydrophobicContact CZ-CG 3.78Å; F225-F294 HydrophobicContact CZ-CZ 4.43Å; F235-F294 HydrophobicContact CE1-CE2 4.45Å; F235-F294 HydrophobicContact CZ-CD2 4.28Å; F235-F294 HydrophobicContact CZ-CE2 4.24Å; I290-F294 HydrophobicContact CG2-CD2 4.1Å; I290-F294 WeakPolarHBondContact O-CD2 3.16Å; I290-F294 PolarHBondContact O-N 3.35Å; F294-V298 WeakPolarHBondContact O-CG2 3.38Å
295F68.8Low63.3Low32 Ų3255.4 Ų55.414%0.1429%0.288CS..THydrogen-bonded Turntrans-115.2-30.8-168.9-60.1-73.1000113.8V233 K251 F267 I290 D291 K297 V298V233-F295 HydrophobicContact CB-CZ 4.06Å; V233-F295 HydrophobicContact CG1-CZ 4.14Å; V233-F295 HydrophobicContact CG2-CE1 4.24Å; V233-F295 HydrophobicContact CG2-CZ 3.89Å; K251-F295 HydrophobicContact CB-CZ 4.33Å; K251-F295 HydrophobicContact CD-CD1 3.49Å; K251-F295 VanDerWaalsContact CD-CD1 3.49Å; K251-F295 HydrophobicContact CD-CD2 3.73Å; K251-F295 HydrophobicContact CD-CE1 3.38Å; K251-F295 HydrophobicContact CD-CE2 3.61Å; K251-F295 HydrophobicContact CD-CG 3.66Å; K251-F295 HydrophobicContact CD-CZ 3.42Å; K251-F295 VanDerWaalsContact CD-CZ 3.42Å; F267-F295 HydrophobicContact CE1-CD2 4.22Å; F267-F295 HydrophobicContact CE1-CE2 4.27Å; F267-F295 HydrophobicContact CZ-CD2 4.1Å; I290-F295 HydrophobicContact CG2-CE2 4.11Å; D291-F295 WeakPolarHBondContact O-CA 3.5Å; D291-F295 PolarHBondContact O-N 3.35Å; F295-K297 PolarHBondContact O-N 3.34Å; F295-V298 PolarHBondContact O-N 3.2Å
296E62.3Low60.6Low48 Ų4860.7 Ų60.722%0.22433%0.325CS..Hα-helixtrans-58.9-34.3172.1-79.4-162.1163.300112.6N117 R148 D291 F292 V298N117-E296 PolarHBondContact ND2-OE1 3.03Å; N117-E296 VanDerWaalsContact ND2-OE1 3.15Å; R148-E296 IonicContact CZ-OE2 2.87Å; R148-E296 IonicContact NH2-OE1 2.94Å; R148-E296 PolarHBondContact NH2-OE1 3.15Å; R148-E296 VanDerWaalsContact NH2-OE1 3.12Å; R148-E296 IonicContact NH2-OE2 2.62Å; R148-E296 PolarHBondContact NH2-OE2 2.95Å; D291-E296 PolarHBondContact O-N 3.13Å; D291-E296 VanDerWaalsContact O-N 3.13Å; F292-E296 WeakPolarHBondContact CD2-OE2 3.18Å; F292-E296 WeakPolarHBondContact CE2-OE2 3.16Å; E296-V298 PolarHBondContact O-N 3.26Å
297K47.9Very low57.5Low114 Ų11466.2 Ų66.250%0.49636%0.358SS..Hα-helixtrans-71.4-25.6179.4-69.5-173-179.5-179.20114.5S146 F295S146-K297 WeakPolarHBondContact OG-CE 3.48Å; S146-K297 PolarHBondContact OG-NZ 2.98Å; F295-K297 PolarHBondContact O-N 3.34Å
298V43.9Very low54.4Low65 Ų6575.4 Ų75.439%0.39440%0.398SS..Hα-helixtrans-81.8-27.4-175.4-176.70000110.7F294 F295 E296 E300 A301 N302F294-V298 WeakPolarHBondContact O-CG2 3.38Å; F295-V298 PolarHBondContact O-N 3.2Å; E296-V298 PolarHBondContact O-N 3.26Å; V298-E300 VanDerWaalsContact C-N 3.34Å; V298-E300 PolarHBondContact O-N 3.28Å; V298-A301 PolarHBondContact O-N 3.44Å; V298-N302 PolarHBondContact O-N 3.2Å; V298-N302 VanDerWaalsContact O-N 3.08Å
299G40.1Very low51.6Low43 Ų4384.8 Ų84.844%0.44346%0.464SS..Hα-helixtrans-62.2-36.1173.100000113.6Q303G299-Q303 WeakPolarHBondContact O-CG 3.13Å; G299-Q303 PolarHBondContact O-N 3.47Å
300E40.3Very low49.7Very low103 Ų10389 Ų8948%0.48149%0.487SS..Hα-helixtrans-72.2-33.3176.8-69.5-174.3163.800112.8V298V298-E300 VanDerWaalsContact C-N 3.34Å; V298-E300 PolarHBondContact O-N 3.28Å
301A35.9Very low47.7Very low67 Ų6793.6 Ų93.655%0.55451%0.513SS*.Hα-helixtrans-77.8-35.3179.700000112.7V298V298-A301 PolarHBondContact O-N 3.44Å
302N32.1Very low45.7Very low118 Ų11898.3 Ų98.363%0.63154%0.539SS*.Hα-helixtrans-85.9-0.9178.9-84.9-18.7000114.5V298 R304V298-N302 PolarHBondContact O-N 3.2Å; V298-N302 VanDerWaalsContact O-N 3.08Å; N302-R304 VanDerWaalsContact C-N 3.31Å
303Q32.8Very low43.7Very low162 Ų162103.9 Ų103.976%0.75757%0.569SS**THydrogen-bonded Turntrans-85.45166-83.9-171.3-1.100114G299 S305G299-Q303 WeakPolarHBondContact O-CG 3.13Å; G299-Q303 PolarHBondContact O-N 3.47Å; Q303-S305 PolarHBondContact O-N 3.44Å; Q303-S305 VanDerWaalsContact O-N 3.13Å
304R29.1Very low41.6Very low228 Ų228108.8 Ų108.886%0.8660%0.597SS**  trans-85.761.7165.3-72.9-172.9176.4176.20111.2N302 S306N302-R304 VanDerWaalsContact C-N 3.31Å; R304-S306 PolarHBondContact O-N 3.42Å
305S28.2Very low39.5Very low89 Ų89112.7 Ų112.762%0.62262%0.622SS**  trans-68.9111.7158.7-440000108.1Q303 V307Q303-S305 PolarHBondContact O-N 3.44Å; Q303-S305 VanDerWaalsContact O-N 3.13Å; S305-V307 PolarHBondContact O-N 3.46Å
306S37.9Very low37.4Very low111 Ų111118.5 Ų118.578%0.77666%0.657SS**  trans23.896.1145.461.40000117.2R304R304-S306 PolarHBondContact O-N 3.42Å
307V31.8Very low35.5Very low115 Ų115123.9 Ų123.970%0.69769%0.69SS**  trans-150.7118.6141.6-141.50000110.7S305S305-V307 PolarHBondContact O-N 3.46Å
308F30Very low34.5Very low195 Ų195124.8 Ų124.886%0.85571%0.706SS**  trans66.7100.9168.5-52.6-65.3000118.9
309S31.9Very low33.6Very low201 Ų201130.2 Ų130.2100%1.40674%0.735SS**  -159.9085.3-107.80000111.1

Retrieved 309 of 309 residues in 306.9 ms (Link to these results)