HNRPQ_ARATH Loading...

Heterogeneous nuclear ribonucleoprotein Q

Transcriptional activator that binds DNA on GAGA-like motif and 5'-(C/G)ACGTG(G/T)C(A/G)-3' consensus motif in the promoters of target genes1. Component of ribonucleosomes, which are complexes of at least 20 other different heterogeneous nuclear ribonucleoproteins (hnRNP). hnRNP play an important role in processing of precursor mRNA in the nucleus (By similarity). Required during flower development and for cell fate determination2. Acts both as an antagonist and as a promoter of polycomb LHP1 gene regulation activity, depending of target genes, to regulate the transcription of stress-responsive and flowering genes3,4. May regulate histone H3 trimethylation on lysine 27 (H3K27me3)5. Recognizes and binds histone H3 tails methylated at 'Lys-4' (H3K4me) and acetylated at 'Lys-9' (H3K9ac), leading to epigenetic activation. When in complex with LHP1, recognizes and binds histone H3 tails methylated at 'Lys-4' (H3K4me) and 'Lys-27' (H3K27me), mostly corresponding to stress-responsive genes6. May function as a suppressor of cell-autonomous immune responses involving glucosinolates, salicylic acid (SA) and jasmonic acid (JA) pathways toward pathogenic bacteria and fungi7.

AlphaFold DB , UniProt , Accession Q9ASP6, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene LIF2, Length 495 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
1M43.9Very low51.9Low237 Ų237158.5 Ų158.5100%1.16782%0.82SS**  079.20-69.9172.4168.500104.8
2S48.2Very low51.5Low97 Ų97156 Ų15668%0.67881%0.809SS**  72.898.9100.655.50000110
3D46.3Very low51.3Low164 Ų164158.8 Ų158.888%0.87781%0.812SS**  70.4136.394.2-82.1-42.7000111.2
4A52.5Low51.1Low80 Ų80161.2 Ų161.266%0.66182%0.818SS**  cis-165.5151.22.100000108.6
5R47Very low50.6Low229 Ų229163.9 Ų163.986%0.86483%0.826SS**  trans15.2122.1149.6-58.3177.1178.8138.60.5120.1
6D60.8Low49.9Very low167 Ų167158.4 Ų158.489%0.89382%0.823SS**  trans-115.7124.7144-81.9-44.7000108.1
7N55.6Low49.2Very low144 Ų144155.7 Ų155.777%0.7782%0.821SS**  trans-85.3129.1174.1-87.8-7000109
8D54.5Low49Very low151 Ų151159.7 Ų159.781%0.80783%0.825SS**  trans-103.3100.7174.8-167.35.6000107
9D54.9Low48.8Very low150 Ų150155.8 Ų155.880%0.80281%0.813SS**  trans-102.895.4171.5-85.2-38.6000108.7
10R51.4Low48.4Very low204 Ų204157.5 Ų157.577%0.7782%0.817SS**  trans-83.1109.8172.3179.1-178.4175.4124.80.7109D12R10-D12 IonicContact NE-OD1 2.83Å; R10-D12 IonicContact NH2-OD1 3.98Å
11V55.6Low48.6Very low120 Ų120157 Ų15773%0.72781%0.813SS**  trans-92.8113.1166.9-76.60000109.3F13V11-F13 HydrophobicContact CG2-CE2 4.47Å; V11-F13 PolarHBondContact O-N 3.49Å
12D47.9Very low48.4Very low129 Ų129154.4 Ų154.469%0.6980%0.798SS**  trans-72.5118.9170.1-75.9-36.3000108.7R10R10-D12 IonicContact NE-OD1 2.83Å; R10-D12 IonicContact NH2-OD1 3.98Å
13F48.5Very low48.2Very low192 Ų192156.5 Ų156.584%0.84280%0.801SS**  trans-85.9110.9167.2-91.2-94.4000108.4V11V11-F13 HydrophobicContact CG2-CE2 4.47Å; V11-F13 PolarHBondContact O-N 3.49Å
14E48Very low48.1Very low193 Ų193157.5 Ų157.590%0.90280%0.801SS**  trans-71134.4169.2-79.2-170.6159.400110.9G16E14-G16 PolarHBondContact O-N 3.35Å
15E43.7Very low47.8Very low202 Ų202158.5 Ų158.594%0.94480%0.798SS**  trans-74.3102.3-174.5-165.4172.1-164.300110.6
16G39.7Very low47.8Very low75 Ų75156.4 Ų156.477%0.77380%0.798SS**  trans-95.990176.400000112.4E14 Y18E14-G16 PolarHBondContact O-N 3.35Å; G16-Y18 PolarHBondContact O-N 2.86Å
17S38.3Very low46.8Very low113 Ų113157.3 Ų157.379%0.7980%0.797SS**  trans-13.8100.3165.5178.60000116.6S19S17-S19 PolarHBondContact O-N 3.18Å
18Y45.4Very low46.3Very low227 Ų227158.5 Ų158.589%0.8980%0.798SS**  trans-79.4105.8164.9-151.7-98.6000108.4G16 E20G16-Y18 PolarHBondContact O-N 2.86Å; Y18-E20 PolarHBondContact O-N 3.48Å
19S45.4Very low45.4Very low86 Ų86160.1 Ų160.160%0.60180%0.801SS**  trans-72.8110.7173.254.20000109.6S17 M21S17-S19 PolarHBondContact O-N 3.18Å; S19-M21 PolarHBondContact O-N 3.43Å
20E41.3Very low44.7Very low189 Ų189158.6 Ų158.688%0.88380%0.797SS**  trans-49.8115.4164.2-79.5173131.400109.7Y18Y18-E20 PolarHBondContact O-N 3.48Å
21M51.6Low44.2Very low149 Ų149155.4 Ų155.473%0.73479%0.79SS**  trans-96.9123.5159.9-72.5-164.3-149.300108.1S19 D23S19-M21 PolarHBondContact O-N 3.43Å; M21-D23 PolarHBondContact O-N 3.21Å
22E39.4Very low43.2Very low182 Ų182158 Ų15885%0.8580%0.795SS**  trans-64.4105.9178.7-61.9170157.100109.8E24E22-E24 PolarHBondContact O-N 2.74Å; E22-E24 VanDerWaalsContact O-N 3.13Å
23D44.3Very low42.8Very low140 Ų140160.6 Ų160.675%0.74980%0.796SS**  trans-74.193.6163.8-82.2-31.5000108.6M21 V25M21-D23 PolarHBondContact O-N 3.21Å; D23-V25 VanDerWaalsContact C-N 3.27Å; D23-V25 PolarHBondContact O-N 2.9Å
24E44Very low42.3Very low186 Ų186159.5 Ų159.587%0.86979%0.793SS**  trans-65.190.2159.1-82.2-177.1156.100108.4E22 E26E22-E24 PolarHBondContact O-N 2.74Å; E22-E24 VanDerWaalsContact O-N 3.13Å; E24-E26 PolarHBondContact O-N 2.83Å
25V47.7Very low41.8Very low100 Ų100158.2 Ų158.261%0.60679%0.787SS**  trans-78.3109.9166-108.30000108.1D23 E27D23-V25 VanDerWaalsContact C-N 3.27Å; D23-V25 PolarHBondContact O-N 2.9Å; V25-E27 PolarHBondContact O-N 3.39Å
26E46.6Very low41.7Very low185 Ų185156.7 Ų156.786%0.86478%0.781SS**  trans-59.3120.7168.3-73.4-176.5149.900109E24 E28E24-E26 PolarHBondContact O-N 2.83Å; E26-E28 PolarHBondContact O-N 2.87Å
27E39.8Very low41.6Very low187 Ų187162 Ų16287%0.87479%0.785SS**  trans-66.798.1172.3-67-179168.500109.2V25 Q29V25-E27 PolarHBondContact O-N 3.39Å; E27-Q29 PolarHBondContact O-N 2.76Å; E27-Q29 VanDerWaalsContact O-N 3.16Å
28E44.9Very low41.8Very low168 Ų168164.5 Ų164.579%0.78578%0.784SS**  trans-70.3107.8166.2-76.1-163.8153.600109.3E26 V30E26-E28 PolarHBondContact O-N 2.87Å; E28-V30 PolarHBondContact O-N 3.27Å
29Q35.9Very low41.5Very low185 Ų185162 Ų16286%0.86478%0.781SS**  trans-62.7100.9165.1-78.5168.987.800108.6E27 E31E27-Q29 PolarHBondContact O-N 2.76Å; E27-Q29 VanDerWaalsContact O-N 3.16Å; Q29-E31 PolarHBondContact O-N 3.02Å; Q29-E31 VanDerWaalsContact O-N 3.17Å
30V40Very low41.5Very low119 Ų119165 Ų16572%0.72179%0.79SS**  trans-72.7101.7165.1-173.40000106.5E28 E32E28-V30 PolarHBondContact O-N 3.27Å; V30-E32 PolarHBondContact O-N 3.33Å
31E39.4Very low41.4Very low136 Ų136162.7 Ų162.764%0.63678%0.784SS**  trans-64.1114.5166.6-75.4-161.5166.800108.6Q29 Y33Q29-E31 PolarHBondContact O-N 3.02Å; Q29-E31 VanDerWaalsContact O-N 3.17Å; E31-Y33 HydrophobicContact CB-CD2 4.3Å; E31-Y33 HydrophobicContact CB-CE2 3.74Å; E31-Y33 WeakPolarHBondContact O-CD2 3.21Å; E31-Y33 PolarHBondContact O-N 3.4Å; E31-Y33 PolarHBondContact OE2-OH 3.23Å
32E36.5Very low41.3Very low176 Ų176163.4 Ų163.482%0.82279%0.791SS**  trans-69.9101.5173.8-162.3169-149.100107.7V30V30-E32 PolarHBondContact O-N 3.33Å
33Y38.2Very low41.5Very low183 Ų183161.6 Ų161.672%0.71879%0.787SS**  trans-87.7102.5167.3-72.2-91.2000107.1E31 E35E31-Y33 HydrophobicContact CB-CD2 4.3Å; E31-Y33 HydrophobicContact CB-CE2 3.74Å; E31-Y33 WeakPolarHBondContact O-CD2 3.21Å; E31-Y33 PolarHBondContact O-N 3.4Å; E31-Y33 PolarHBondContact OE2-OH 3.23Å; Y33-E35 PolarHBondContact O-N 3.4Å; Y33-E35 VanDerWaalsContact O-N 3.1Å
34E38.7Very low41.6Very low168 Ų168162.7 Ų162.779%0.78579%0.793SS**  trans-64.2100.2165.3-66.7178.6157.900107.8E36E34-E36 PolarHBondContact O-N 3.24Å
35E38.1Very low41.7Very low166 Ų166160.6 Ų160.678%0.77679%0.787SS**  trans-82.5105.9164-79.3-171.4160.200107.5Y33 E37Y33-E35 PolarHBondContact O-N 3.4Å; Y33-E35 VanDerWaalsContact O-N 3.1Å; E35-E37 PolarHBondContact O-N 3.46Å
36E40Very low41.6Very low171 Ų171161.2 Ų161.280%0.79979%0.791SS**  trans-66.6110.1167.5-65.7-176.4161.600108.3E34 E38E34-E36 PolarHBondContact O-N 3.24Å; E36-E38 PolarHBondContact O-N 3.49Å
37E38.4Very low41.2Very low185 Ų185155.8 Ų155.886%0.86479%0.785SS**  trans-73.1108.4168.5-67.1-163.5167.400108.7E35 E39E35-E37 PolarHBondContact O-N 3.46Å; E37-E39 PolarHBondContact O-N 3.48Å
38E42.9Very low41.2Very low166 Ų166154 Ų15478%0.77678%0.781SS**  trans-79.1114164.4-68.4-155.2166.500108.9E36 D40E36-E38 PolarHBondContact O-N 3.49Å; E38-D40 PolarHBondContact O-N 3.18Å
39E38Very low40.9Very low175 Ų175153.5 Ų153.582%0.81878%0.779SS**  trans-69.9106.3169-66.9177.3161.400109.1E37E37-E39 PolarHBondContact O-N 3.48Å
40D45Very low41.1Very low148 Ų148152.4 Ų152.479%0.79178%0.779SS**  trans-96.7100.5165.4-82.7-32.3000109.4E38E38-D40 PolarHBondContact O-N 3.18Å
41D39.2Very low40.8Very low142 Ų142150.9 Ų150.976%0.75978%0.779SS**  trans-64.3122162.4-74.8-46.6000110
42D51Low41Very low164 Ų164153.2 Ų153.288%0.87779%0.79SS**  trans-140.9101156.9-92.3-37.8000109.8
43D43.3Very low41Very low144 Ų144153.4 Ų153.477%0.7779%0.791SS**  trans-68.2158.1164.4-85.9-51.7000111.9
44D46Very low41.3Very low163 Ų163155 Ų15587%0.87280%0.796SS**  trans117.1137.2156.7-63.7-30.6000115.3
45D45.5Very low41.4Very low141 Ų141155.5 Ų155.575%0.75480%0.798SS**  cis-178154.1-30.3177.826000104.9
46V46.5Very low41.3Very low114 Ų114154.3 Ų154.369%0.69180%0.802SS**  trans58.697.1165.8-141.10000121.9
47G37.5Very low41.4Very low71 Ų71154.3 Ų154.373%0.73280%0.801SS**  50.5128.2102.100000121.6
48N41Very low41.4Very low148 Ų148152 Ų15279%0.79180%0.795SS**  -165.2149.6109.2-163.922.5000112.5
49Q38.9Very low41.3Very low158 Ų158154.4 Ų154.474%0.73880%0.799SS**  trans-68.5149.5-170.6-58.4148.615.200114.3
50N39.3Very low41.3Very low162 Ų162149 Ų14987%0.86679%0.79SS**  -168.8128.2112.4-98.9-13.9000112.3
51A34.1Very low40.8Very low87 Ų87149.2 Ų149.272%0.71979%0.791SS**  trans-79.7145.2170.900000110.5
52E44.3Very low40.9Very low186 Ų186148 Ų14887%0.86979%0.789SS**  trans-143.6126141.3-74.8-160.2165.700109.8
53E36.1Very low40.6Very low179 Ų179149.2 Ų149.284%0.83679%0.786SS**  trans-71.3150.4176.9-57.5163.8154.100110.5
54R44Very low40Very low218 Ų218146.3 Ų146.382%0.82379%0.791SS**  trans-165.4100.6145.2-111.1174.6-122.5-168.91.5113.5
55E40.7Very low39.5Very low178 Ų178142.2 Ų142.283%0.83279%0.787SS**  48.8121.9121.5-62.3-178.8163.400120.7
56V36Very low39.1Very low141 Ų141142.9 Ų142.986%0.85579%0.791SS**  trans-83129.4170.6-174.90000108.6
57E42.9Very low39.1Very low170 Ų170146.3 Ų146.379%0.79480%0.801SS**  trans-128.3115.7160.1-73.2-155169.600111.3
58D37.3Very low39.4Very low138 Ų138151.7 Ų151.774%0.73881%0.807SS**  trans-80.3130.2165.5163.839.7000109.5
59Y42Very low39.2Very low216 Ų216152 Ų15285%0.84781%0.809SS**  trans-153.9111.5157.7-94.4-79.1000111.1
60G38Very low39.3Very low62 Ų62151.2 Ų151.264%0.63981%0.814SS**  92.68810800000118.8
61D33.8Very low39.1Very low151 Ų151151.8 Ų151.881%0.80781%0.812SS**  trans-8.7127.7138-179.527.7000116.9
62T41.4Very low39.4Very low117 Ų117155.8 Ų155.872%0.71882%0.816SS**  trans-163.2115.9137.81.70000113.7
63K44.1Very low39.2Very low189 Ų189155 Ų15582%0.82281%0.812SS**  trans76.2117.6134.9-79.3177.1-178.9-171.90121
64G31.4Very low39.1Very low84 Ų84153.7 Ų153.787%0.86681%0.809SS**  trans-68.3170.8162.400000115
65G36Very low39.1Very low76 Ų76148.1 Ų148.178%0.78481%0.81SS**  trans-155104.5170.600000108.3
66D35.9Very low38.9Very low156 Ų156147.3 Ų147.383%0.83481%0.806SS**  trans-60.1143.4163.3-61.2-69.5000111.1
67M47.1Very low39.3Very low186 Ų186148 Ų14892%0.91681%0.805SS**  trans-163.288.7156.3-102.3175.2-167.500106.2
68E44Very low39.5Very low183 Ų183147.2 Ų147.286%0.85581%0.806SS**  71.2118.785.3-76.2-168.517300114.5
69D35.5Very low39.8Very low156 Ų156147.3 Ų147.383%0.83481%0.807SS**  trans-49.6137.4172.8-67-63.6000113.6
70V42.7Very low40Very low140 Ų140144.6 Ų144.685%0.84881%0.807SS**  trans-137.598.1153.3-175.50000108.5
71Q33.2Very low40.3Very low174 Ų174149 Ų14981%0.81381%0.81SS**  trans-75.4150.6149-78.2163.5-2.400108.4
72E41.5Very low41.1Very low172 Ų172148.8 Ų148.880%0.80481%0.808SS**  trans133.8139.4164.4-81.8-173.8-173.300110.1
73E39.6Very low41.2Very low169 Ų169149.1 Ų149.179%0.7981%0.805SS**  cis-156.4162.8-11-78.6-136.2148.600107
74I34.4Very low41.5Very low152 Ų152146.5 Ų146.578%0.77980%0.799SS**  trans-61.1138.3176.2-64.5154.1000111.2E76I74-E76 HydrophobicContact CG2-CG 4.34Å
75A43Very low42.1Very low100 Ų100151.7 Ų151.783%0.82680%0.801SS**  trans-142.5125.4155.500000109.8
76E38.2Very low42.5Very low161 Ų161153.8 Ų153.875%0.75280%0.798SS**  trans-77.1172.2-179-59.3173.7159.700111.5I74I74-E76 HydrophobicContact CG2-CG 4.34Å
77D44.6Very low43.2Very low155 Ų155150.6 Ų150.683%0.82979%0.794SS**  trans89.9106.1165.4-49.6-29.8000117.7
78D45.6Very low43.2Very low154 Ų154149.6 Ų149.682%0.82479%0.792SS**  179.713789.8-162.89000111.2
79D44Very low43.5Very low141 Ų141148 Ų14875%0.75479%0.789SS**  trans-68.4130.6-173.7-71.9-53.2000112.7
80N45.9Very low44.3Very low158 Ų158148.1 Ų148.185%0.84579%0.79SS**  trans-144.492.1151.4-91.9-46.3000111I82N80-I82 PolarHBondContact O-N 2.9Å
81H44.2Very low44.6Very low154 Ų154150.3 Ų150.371%0.71379%0.791SS**  trans-53.8115.3165.6179.924.1000111.4D83H81-D83 VanDerWaalsContact CE1-CG 3.47Å; H81-D83 IonicContact CE1-OD1 3.65Å; H81-D83 PolarHBondContact CE1-OD1 3.32Å; H81-D83 IonicContact CE1-OD2 3.71Å; H81-D83 IonicContact ND1-OD1 3.87Å; H81-D83 IonicContact NE2-OD1 3.55Å; H81-D83 IonicContact NE2-OD2 3.37Å
82I50.5Low45.1Very low147 Ų147151.1 Ų151.175%0.75479%0.792SS**  trans-122.6112.5160.8-64.5173.6000106.5N80 I84N80-I82 PolarHBondContact O-N 2.9Å; I82-I84 PolarHBondContact O-N 3.27Å; I82-I84 VanDerWaalsContact O-N 3.14Å
83D44Very low45.2Very low124 Ų124147.8 Ų147.866%0.66379%0.785SS**  trans-56.1109173.6-72.9-59.7000110.9H81 E85H81-D83 VanDerWaalsContact CE1-CG 3.47Å; H81-D83 IonicContact CE1-OD1 3.65Å; H81-D83 PolarHBondContact CE1-OD1 3.32Å; H81-D83 IonicContact CE1-OD2 3.71Å; H81-D83 IonicContact ND1-OD1 3.87Å; H81-D83 IonicContact NE2-OD1 3.55Å; H81-D83 IonicContact NE2-OD2 3.37Å; D83-E85 PolarHBondContact O-N 2.91Å
84I50Low45.5Very low135 Ų135145.6 Ų145.669%0.69279%0.785SS**  trans-87.199.2164.9-74.1173.6000106.9I82 T86I82-I84 PolarHBondContact O-N 3.27Å; I82-I84 VanDerWaalsContact O-N 3.14Å; I84-T86 VanDerWaalsContact C-N 3.3Å; I84-T86 HydrophobicContact CG2-CG2 3.85Å; I84-T86 WeakPolarHBondContact CG2-OG1 3.44Å; I84-T86 PolarHBondContact O-N 3.15Å
85E45.6Very low46.1Very low193 Ų193142.1 Ų142.190%0.90278%0.775SS**  trans-79.585152.2-66.8-170.9167.200106.9D83 A87D83-E85 PolarHBondContact O-N 2.91Å; E85-A87 PolarHBondContact O-N 3.38Å
86T44.3Very low46.6Very low120 Ų120143.4 Ų143.474%0.73677%0.774SS**  trans-82.2107.1163.513.10000107I84 D88I84-T86 VanDerWaalsContact C-N 3.3Å; I84-T86 HydrophobicContact CG2-CG2 3.85Å; I84-T86 WeakPolarHBondContact CG2-OG1 3.44Å; I84-T86 PolarHBondContact O-N 3.15Å; T86-D88 PolarHBondContact O-N 3.37Å
87A50.6Low47.7Very low89 Ų89139 Ų13974%0.73676%0.755SS**  trans-53.5133.6170.100000110E85 D89E85-A87 PolarHBondContact O-N 3.38Å; A87-D89 PolarHBondContact O-N 2.83Å
88D46Very low48.9Very low164 Ų164136.1 Ų136.188%0.87774%0.74SS**  trans-48.1102.8170-57.4-74.4000110.2T86T86-D88 PolarHBondContact O-N 3.37Å
89D51.1Low50.2Low150 Ų150133.9 Ų133.980%0.80273%0.728SS**  trans-106.1109.5165.5-149.22.1000106.5A87 E91A87-D89 PolarHBondContact O-N 2.83Å; D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.26Å
90D51Low51.8Low158 Ų158132.8 Ų132.885%0.84572%0.718SS**  trans-6182.2-179.3-76.2-65.2000110.7K92D90-K92 VanDerWaalsContact C-N 3.29Å; D90-K92 PolarHBondContact O-N 3.21Å
91E49.6Very low53.5Low187 Ų187127 Ų12787%0.87469%0.687SS**  trans-68.688.6166.1-75.2-165.7155.100109.5D89D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.26Å
92K44Very low55.4Low191 Ų191126.3 Ų126.383%0.8368%0.678SS**PPolyproline II helixtrans-59.1121.6165.5-170.6176.6-174.9-177.50108.3D90D90-K92 VanDerWaalsContact C-N 3.29Å; D90-K92 PolarHBondContact O-N 3.21Å
93P43.7Very low57.1Low102 Ų102126.1 Ų126.166%0.66267%0.674SS**PPolyproline II helixtrans-59.5144.7178.324.1-32.8000109.7S95P93-S95 PolarHBondContact O-N 3.2Å
94P46.1Very low59.3Low122 Ų122124.9 Ų124.979%0.79266%0.663SS**PPolyproline II helixtrans-54134.5173.124.1-32.1000108.2
95S46.6Very low61.3Low80 Ų80119.7 Ų119.756%0.55964%0.635SS**PPolyproline II helixtrans-46.6135.8178.921.50000110.1P93 I97P93-S95 PolarHBondContact O-N 3.2Å; S95-I97 PolarHBondContact O-N 3.44Å
96P53.9Low63.4Low126 Ų126113.9 Ų113.982%0.81862%0.616SS**  trans-62.6104.6-179.724.7-31000108.1D98P96-D98 PolarHBondContact O-N 2.81Å
97I61Low65.7Low69 Ų69113.6 Ų113.635%0.35461%0.606SS.*  trans-57.1121.9162.2-62.6169.9000105S95 D99 D101 Y105S95-I97 PolarHBondContact O-N 3.44Å; I97-D99 PolarHBondContact O-N 2.85Å; I97-D101 HydrophobicContact CG2-CB 3.58Å; I97-Y105 HydrophobicContact CD1-CE2 4.46Å; I97-Y105 HydrophobicContact CG2-CE2 4.29Å
98D69.7Low67.6Low95 Ų95110.4 Ų110.451%0.50858%0.576SS.*  trans-50.5139.5177.7-164.7-5000109.1P96 E100 D101 R102P96-D98 PolarHBondContact O-N 2.81Å; D98-E100 PolarHBondContact O-N 3.04Å; D98-E100 VanDerWaalsContact O-N 3.09Å; D98-D101 PolarHBondContact O-N 2.77Å; D98-R102 PolarHBondContact O-N 3.15Å; D98-R102 VanDerWaalsContact O-N 3.16Å
99D73.1Confident69.8Low107 Ų107106.4 Ų106.457%0.57255%0.554SS**Hα-helixtrans-59.3-28.2-176-73.4-42.2000110.7I97 R102 E103I97-D99 PolarHBondContact O-N 2.85Å; D99-R102 PolarHBondContact O-N 3.11Å; D99-R102 IonicContact OD1-CZ 3.57Å; D99-R102 VanDerWaalsContact OD1-CZ 3.3Å; D99-R102 IonicContact OD1-NH1 3.91Å; D99-R102 PolarHBondContact OD1-NH1 2.78Å; D99-R102 IonicContact OD1-NH2 2.94Å; D99-R102 PolarHBondContact OD1-NH2 2.9Å; D99-E103 PolarHBondContact O-N 2.83Å
100E76.2Confident71.6Confident118 Ų118102.8 Ų102.855%0.55154%0.541SS*.Hα-helixtrans-61.2-41.8171-65.4-169-177.400113.6D98 R102 K104D98-E100 PolarHBondContact O-N 3.04Å; D98-E100 VanDerWaalsContact O-N 3.09Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-K104 VanDerWaalsContact O-CG 3.29Å; E100-K104 WeakPolarHBondContact O-CG 3.5Å; E100-K104 PolarHBondContact O-N 3.14Å; E100-K104 VanDerWaalsContact O-N 3.16Å; E100-K104 IonicContact OE2-NZ 2.83Å
101D82.1Confident73.5Confident35 Ų3597 Ų9719%0.18751%0.51CS..Hα-helixtrans-70.8-33.5178.8-87-15.3000110.1I97 D98 K104 Y105 Y254 K258I97-D101 HydrophobicContact CG2-CB 3.58Å; D98-D101 PolarHBondContact O-N 2.77Å; D101-K104 PolarHBondContact O-N 2.94Å; D101-Y105 HydrophobicContact CB-CE1 4.14Å; D101-Y105 WeakPolarHBondContact O-CB 3.3Å; D101-Y105 WeakPolarHBondContact O-CD1 3.16Å; D101-Y105 PolarHBondContact O-N 2.86Å; D101-Y254 PolarHBondContact OD1-OH 2.81Å; D101-Y254 VanDerWaalsContact OD1-OH 3.09Å; D101-K258 IonicContact OD1-NZ 3.74Å; D101-K258 PolarHBondContact OD1-NZ 2.82Å; D101-K258 IonicContact OD2-NZ 2.81Å; D101-K258 PolarHBondContact OD2-NZ 2.77Å
102R83.9Confident75.4Confident140 Ų14089.2 Ų89.253%0.52848%0.475SS..Hα-helixtrans-63.8-45176.2-167.4-178-57.7130.417.1112.5D98 D99 E100 Y105 S106D98-R102 PolarHBondContact O-N 3.15Å; D98-R102 VanDerWaalsContact O-N 3.16Å; D99-R102 PolarHBondContact O-N 3.11Å; D99-R102 IonicContact OD1-CZ 3.57Å; D99-R102 VanDerWaalsContact OD1-CZ 3.3Å; D99-R102 IonicContact OD1-NH1 3.91Å; D99-R102 PolarHBondContact OD1-NH1 2.78Å; D99-R102 IonicContact OD1-NH2 2.94Å; D99-R102 PolarHBondContact OD1-NH2 2.9Å; E100-R102 VanDerWaalsContact C-N 3.32Å; R102-Y105 PolarHBondContact O-N 3.16Å; R102-S106 PolarHBondContact O-N 3.27Å
103E87.4Confident77.6Confident144 Ų14480.9 Ų80.967%0.67344%0.441SS*.Hα-helixtrans-65.3-45.5178.1-173169.3-168.500110.8D99 Y105 S106 H107D99-E103 PolarHBondContact O-N 2.83Å; E103-Y105 VanDerWaalsContact C-N 3.29Å; E103-Y105 PolarHBondContact O-N 2.75Å; E103-S106 PolarHBondContact O-N 3.46Å; E103-S106 PolarHBondContact O-OG 3.29Å; E103-H107 PolarHBondContact O-N 3.06Å
104K89.2Confident79.7Confident97 Ų9778 Ų7842%0.42242%0.418SS..Hα-helixtrans-56.8-43.1173.4-72.1169.6-170.7159.50111.6E100 D101 S106 H107 L108E100-K104 VanDerWaalsContact O-CG 3.29Å; E100-K104 WeakPolarHBondContact O-CG 3.5Å; E100-K104 PolarHBondContact O-N 3.14Å; E100-K104 VanDerWaalsContact O-N 3.16Å; E100-K104 IonicContact OE2-NZ 2.83Å; D101-K104 PolarHBondContact O-N 2.94Å; K104-S106 VanDerWaalsContact C-N 3.34Å; K104-S106 PolarHBondContact O-N 2.89Å; K104-H107 PolarHBondContact O-N 3.16Å; K104-L108 VanDerWaalsContact O-CG 3.26Å; K104-L108 WeakPolarHBondContact O-CG 3.47Å; K104-L108 PolarHBondContact O-N 3.45Å
105Y91.3Very high81.6Confident27 Ų2773.2 Ų73.211%0.10639%0.391CS..Hα-helixtrans-64.5-41.8179.8-707.2000111.3I97 D101 R102 E103 H107 L108 L109 V219 P221 Y254I97-Y105 HydrophobicContact CD1-CE2 4.46Å; I97-Y105 HydrophobicContact CG2-CE2 4.29Å; D101-Y105 HydrophobicContact CB-CE1 4.14Å; D101-Y105 WeakPolarHBondContact O-CB 3.3Å; D101-Y105 WeakPolarHBondContact O-CD1 3.16Å; D101-Y105 PolarHBondContact O-N 2.86Å; R102-Y105 PolarHBondContact O-N 3.16Å; E103-Y105 VanDerWaalsContact C-N 3.29Å; E103-Y105 PolarHBondContact O-N 2.75Å; Y105-H107 VanDerWaalsContact C-N 3.33Å; Y105-H107 PolarHBondContact O-N 3.4Å; Y105-L108 PolarHBondContact O-N 3.31Å; Y105-L109 WeakPolarHBondContact O-CB 3.3Å; Y105-L109 VanDerWaalsContact O-CG 3.31Å; Y105-L109 WeakPolarHBondContact O-CG 3.39Å; Y105-L109 PolarHBondContact O-N 2.68Å; Y105-V219 PolarHBondContact OH-O 3.38Å; Y105-P221 HydrophobicContact CD1-CG 3.91Å; Y105-P221 HydrophobicContact CD2-CB 4.35Å; Y105-P221 HydrophobicContact CD2-CG 4.46Å; Y105-P221 HydrophobicContact CG-CB 4.13Å; Y105-P221 HydrophobicContact CG-CG 3.85Å; Y105-Y254 HydrophobicContact CD1-CE1 4.28Å; Y105-Y254 HydrophobicContact CE1-CD1 4.47Å; Y105-Y254 AromaticContact CE1-CE1 3.5Å; Y105-Y254 HydrophobicContact CE1-CE1 3.5Å; Y105-Y254 VanDerWaalsContact CE1-CE1 3.5Å; Y105-Y254 AromaticContact CE1-CZ 3.67Å; Y105-Y254 WeakPolarHBondContact CE1-OH 3.44Å
106S90.9Very high83.7Confident71 Ų7169.4 Ų69.450%0.49737%0.365SS..Hα-helixtrans-62.5-41176.276.40000112.1R102 E103 K104 L109 S110R102-S106 PolarHBondContact O-N 3.27Å; E103-S106 PolarHBondContact O-N 3.46Å; E103-S106 PolarHBondContact O-OG 3.29Å; K104-S106 VanDerWaalsContact C-N 3.34Å; K104-S106 PolarHBondContact O-N 2.89Å; S106-L109 PolarHBondContact O-N 3.17Å; S106-S110 WeakPolarHBondContact O-CB 3.45Å; S106-S110 PolarHBondContact O-N 2.81Å
107H91.9Very high85.5Confident114 Ų11465.8 Ų65.853%0.52834%0.336SS..Hα-helixtrans-65.3-48176.8179.2-95.5000111.5E103 K104 Y105 L109 S110 L111E103-H107 PolarHBondContact O-N 3.06Å; K104-H107 PolarHBondContact O-N 3.16Å; Y105-H107 VanDerWaalsContact C-N 3.33Å; Y105-H107 PolarHBondContact O-N 3.4Å; H107-L109 VanDerWaalsContact C-N 3.29Å; H107-L109 PolarHBondContact O-N 3.25Å; H107-S110 WeakPolarHBondContact O-CB 3.44Å; H107-S110 PolarHBondContact O-N 3.09Å; H107-S110 PolarHBondContact O-OG 3.49Å; H107-L111 PolarHBondContact O-N 3.18Å
108L91.5Very high87Confident22 Ų2262.5 Ų62.512%0.11532%0.32CS..Hα-helixtrans-60.5-38.6179-68.3170.9000112.3K104 Y105 S110 L111 P221 N248 A250 Y254K104-L108 VanDerWaalsContact O-CG 3.26Å; K104-L108 WeakPolarHBondContact O-CG 3.47Å; K104-L108 PolarHBondContact O-N 3.45Å; Y105-L108 PolarHBondContact O-N 3.31Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-P221 HydrophobicContact CB-CG 4.3Å; L108-P221 HydrophobicContact CD1-CG 4.15Å; L108-N248 PolarHBondContact O-ND2 3.48Å; L108-A250 HydrophobicContact CD2-CB 3.72Å; L108-Y254 HydrophobicContact CD1-CD1 4.06Å; L108-Y254 HydrophobicContact CD1-CD2 3.73Å; L108-Y254 HydrophobicContact CD1-CE2 4.36Å; L108-Y254 HydrophobicContact CD1-CG 3.54Å
109L90.9Very high88.2Confident80 Ų8060.6 Ų60.642%0.41931%0.307SS..Hα-helixtrans-75-18.8176.1-70.7173.2000113.7Y105 S106 H107 L111 P221Y105-L109 WeakPolarHBondContact O-CB 3.3Å; Y105-L109 VanDerWaalsContact O-CG 3.31Å; Y105-L109 WeakPolarHBondContact O-CG 3.39Å; Y105-L109 PolarHBondContact O-N 2.68Å; S106-L109 PolarHBondContact O-N 3.17Å; H107-L109 VanDerWaalsContact C-N 3.29Å; H107-L109 PolarHBondContact O-N 3.25Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-P221 HydrophobicContact CD1-CB 3.89Å; L109-P221 HydrophobicContact CD2-CB 4.08Å; L109-P221 HydrophobicContact CG-CB 3.88Å; L109-P221 HydrophobicContact CG-CG 4.41Å
110S90.3Very high89.1Confident74 Ų7455.5 Ų55.552%0.51728%0.28SS..Hα-helixtrans-77-18.6175.577.90000113.3S106 H107 L108S106-S110 WeakPolarHBondContact O-CB 3.45Å; S106-S110 PolarHBondContact O-N 2.81Å; H107-S110 WeakPolarHBondContact O-CB 3.44Å; H107-S110 PolarHBondContact O-N 3.09Å; H107-S110 PolarHBondContact O-OG 3.49Å; L108-S110 VanDerWaalsContact C-N 3.32Å
111L91.3Very high89.9Confident37 Ų3750 Ų5019%0.19426%0.255CS..SBendtrans-71.3147.2176.6-59.3175.3000110.6H107 L108 L109 F143 Y247 N248 A250H107-L111 PolarHBondContact O-N 3.18Å; L108-L111 PolarHBondContact O-N 2.97Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L111-F143 HydrophobicContact CD2-CE1 3.78Å; L111-F143 HydrophobicContact CD2-CZ 3.5Å; L111-F143 VanDerWaalsContact CD2-CZ 3.5Å; L111-Y247 WeakPolarHBondContact O-CE1 3.13Å; L111-N248 PolarHBondContact O-ND2 3.18Å; L111-N248 VanDerWaalsContact O-ND2 3.17Å; L111-A250 HydrophobicContact CD1-CB 3.38Å
112P89.6Confident90.2Very high23 Ų2350.2 Ų50.215%0.14927%0.266CS..PPolyproline II helixtrans-54.8150.9-177-25.533.1000113.6F143 F164 N248P112-F143 VanDerWaalsContact CD-CD1 3.49Å; P112-F143 HydrophobicContact CG-CB 3.59Å; P112-F143 HydrophobicContact CG-CD1 3.54Å; P112-F143 HydrophobicContact CG-CD2 3.73Å; P112-F143 HydrophobicContact CG-CE1 4.17Å; P112-F143 HydrophobicContact CG-CE2 4.32Å; P112-F143 HydrophobicContact CG-CG 3.31Å; P112-F164 VanDerWaalsContact CB-O 3.27Å; P112-F164 WeakPolarHBondContact CB-O 3.27Å; P112-F164 WeakPolarHBondContact CG-O 3.28Å; P112-N248 WeakPolarHBondContact O-CB 3.21Å
113P90Very high90.5Very high16 Ų1643.8 Ų43.810%0.10424%0.242CC..PPolyproline II helixtrans-69.6160.1177.327.6-30.1000112.1S116 K167 Y247P113-S116 WeakPolarHBondContact CD-OG 3.49Å; P113-S116 WeakPolarHBondContact CG-OG 3.14Å; P113-S116 VanDerWaalsContact O-CB 3.26Å; P113-S116 WeakPolarHBondContact O-CB 3.4Å; P113-S116 PolarHBondContact O-N 3.13Å; P113-S116 VanDerWaalsContact O-N 3.12Å; P113-S116 PolarHBondContact O-OG 2.97Å; P113-K167 VanDerWaalsContact CB-CE 3.49Å; P113-K167 HydrophobicContact CG-CG 4Å; P113-Y247 CarbonylContact C-O 3.56Å; P113-Y247 WeakPolarHBondContact CA-O 2.85Å; P113-Y247 HydrophobicContact CB-CD2 4.07Å; P113-Y247 HydrophobicContact CB-CE1 4.06Å; P113-Y247 HydrophobicContact CB-CE2 3.54Å; P113-Y247 WeakPolarHBondContact CD-OH 3.29Å; P113-Y247 HydrophobicContact CG-CE2 4.32Å
114H86.7Confident90.5Very high41 Ų4137.3 Ų37.319%0.1921%0.212CC..THydrogen-bonded Turntrans-56.8140173.969.7-88.8000110.9S116 K167 N196 E224 Y246 Y247H114-S116 VanDerWaalsContact C-N 3.29Å; H114-K167 PolarHBondContact CD2-NZ 2.97Å; H114-K167 PolarHBondContact CE1-NZ 3.29Å; H114-K167 PolarHBondContact ND1-NZ 2.75Å; H114-K167 PolarHBondContact NE2-NZ 2.83Å; H114-K167 WeakPolarHBondContact O-CD 3.31Å; H114-K167 WeakPolarHBondContact O-CE 3.41Å; H114-K167 PolarHBondContact O-NZ 3.43Å; H114-N196 HydrophobicContact CB-CB 3.94Å; H114-N196 VanDerWaalsContact CB-ND2 3.26Å; H114-N196 WeakPolarHBondContact CB-ND2 3.14Å; H114-N196 PolarHBondContact CD2-ND2 2.84Å; H114-N196 PolarHBondContact ND1-ND2 2.75Å; H114-E224 IonicContact CE1-OE1 3.54Å; H114-E224 IonicContact CE1-OE2 2.85Å; H114-E224 PolarHBondContact CE1-OE2 3.24Å; H114-E224 IonicContact ND1-OE1 3.59Å; H114-E224 IonicContact ND1-OE2 2.78Å; H114-Y246 PolarHBondContact ND1-O 3.31Å; H114-Y247 PolarHBondContact N-O 3.34Å; H114-Y247 PolarHBondContact ND1-O 2.85Å
115G86.5Confident90.3Very high21 Ų2141 Ų4122%0.21622%0.223CC..THydrogen-bonded Turntrans79.57.3-174.300000114.6
116S90.9Very high90Very high1 Ų144.8 Ų44.81%0.00725%0.245CC..  trans-90.2-0.1165.8-58.90000113.5P113 H114 F164 K167 A170P113-S116 WeakPolarHBondContact CD-OG 3.49Å; P113-S116 WeakPolarHBondContact CG-OG 3.14Å; P113-S116 VanDerWaalsContact O-CB 3.26Å; P113-S116 WeakPolarHBondContact O-CB 3.4Å; P113-S116 PolarHBondContact O-N 3.13Å; P113-S116 VanDerWaalsContact O-N 3.12Å; P113-S116 PolarHBondContact O-OG 2.97Å; H114-S116 VanDerWaalsContact C-N 3.29Å; S116-F164 VanDerWaalsContact CB-O 3.28Å; S116-F164 WeakPolarHBondContact CB-O 3.46Å; S116-F164 PolarHBondContact O-N 3.33Å; S116-K167 WeakPolarHBondContact OG-CA 3.28Å; S116-K167 WeakPolarHBondContact OG-CG 3.5Å; S116-K167 PolarHBondContact OG-N 2.8Å; S116-A170 WeakPolarHBondContact O-CB 3.33Å
117E91.3Very high89.8Confident49 Ų4941.5 Ų41.523%0.22922%0.222CC..EExtended strand (participates in β ladder)trans-103.9135177.9-170.2-172.612100110.8F161 V162 A163 S192 T194E117-F161 HydrophobicContact CG-CB 4.25Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.49Å; E117-V162 CarbonylContact C-O 3.56Å; E117-V162 WeakPolarHBondContact CA-O 3.47Å; E117-A163 HydrophobicContact CB-CB 4.45Å; E117-A163 HydrophobicContact CG-CB 4.37Å; E117-S192 VanDerWaalsContact O-CB 3.26Å; E117-S192 WeakPolarHBondContact O-CB 3.32Å; E117-S192 PolarHBondContact O-N 3.16Å; E117-S192 VanDerWaalsContact OE1-CB 3.29Å; E117-S192 WeakPolarHBondContact OE1-CB 3.34Å; E117-S192 PolarHBondContact OE1-OG 2.85Å; E117-T194 HydrophobicContact CB-CG2 4.39Å
118V93Very high89.7Confident0 Ų037.3 Ų37.30%021%0.21CC..EExtended strand (participates in β ladder)trans-112.2142.9175.2-56.10000110.6I120 F161 V162 F164 A170 I174 S190V118-I120 HydrophobicContact CG2-CD1 4.31Å; V118-I120 HydrophobicContact CG2-CG1 4.08Å; V118-F161 CarbonylContact O-C 3.46Å; V118-F161 WeakPolarHBondContact O-CA 3.26Å; V118-V162 HydrophobicContact CG2-CB 3.81Å; V118-V162 PolarHBondContact N-O 3.49Å; V118-V162 PolarHBondContact O-N 2.71Å; V118-F164 HydrophobicContact CG1-CD2 4.23Å; V118-F164 HydrophobicContact CG1-CE2 4Å; V118-F164 HydrophobicContact CG2-CD2 4.33Å; V118-F164 HydrophobicContact CG2-CE2 3.64Å; V118-A170 HydrophobicContact CG1-CB 3.77Å; V118-A170 WeakPolarHBondContact CG1-O 3.29Å; V118-I174 HydrophobicContact CG1-CD1 4.09Å; V118-I174 HydrophobicContact CG1-CG1 3.89Å; V118-S190 CarbonylContact C-O 3.6Å; V118-S190 WeakPolarHBondContact CA-O 3.33Å
119F93.4Very high89.7Confident55 Ų5540.8 Ų40.824%0.24123%0.225CC..EExtended strand (participates in β ladder)trans-91.3127.4166.8170.5-90.7000108.9Y159 F161 C189 S190F119-Y159 HydrophobicContact CD2-CD2 4.04Å; F119-Y159 AromaticContact CE2-CD2 3.37Å; F119-Y159 HydrophobicContact CE2-CD2 3.37Å; F119-Y159 HydrophobicContact CE2-CE2 4.16Å; F119-Y159 AromaticContact CE2-CG 3.68Å; F119-Y159 HydrophobicContact CE2-CG 3.68Å; F119-Y159 HydrophobicContact CZ-CD2 4.26Å; F119-Y159 HydrophobicContact CZ-CG 4.13Å; F119-F161 HydrophobicContact CB-CD1 4.29Å; F119-F161 HydrophobicContact CB-CE1 4.18Å; F119-F161 HydrophobicContact CD2-CD1 4.27Å; F119-F161 AromaticContact CD2-CE1 3.68Å; F119-F161 HydrophobicContact CD2-CE1 3.68Å; F119-F161 AromaticContact CD2-CZ 3.94Å; F119-F161 HydrophobicContact CD2-CZ 3.94Å; F119-F161 HydrophobicContact CG-CE1 4.43Å; F119-C189 CarbonylContact O-C 3.59Å; F119-C189 WeakPolarHBondContact O-CA 3.35Å; F119-S190 PolarHBondContact N-O 2.62Å; F119-S190 PolarHBondContact O-N 3.36Å
120I92.9Very high89.7Confident0 Ų044.6 Ų44.60%024%0.241CC..EExtended strand (participates in β ladder)trans-116.3105.4174.4-53-179.9000107.8V118 L123 Y159 A160 V162 L177 I187 R188V118-I120 HydrophobicContact CG2-CD1 4.31Å; V118-I120 HydrophobicContact CG2-CG1 4.08Å; I120-L123 HydrophobicContact CG2-CD1 4.38Å; I120-L123 HydrophobicContact CG2-CD2 3.78Å; I120-L123 HydrophobicContact CG2-CG 4.16Å; I120-Y159 CarbonylContact O-C 3.58Å; I120-Y159 WeakPolarHBondContact O-CA 3.12Å; I120-Y159 WeakPolarHBondContact O-CB 2.96Å; I120-A160 PolarHBondContact N-O 3.04Å; I120-A160 PolarHBondContact O-N 3.03Å; I120-V162 HydrophobicContact CD1-CB 4.49Å; I120-V162 HydrophobicContact CD1-CG2 3.71Å; I120-V162 HydrophobicContact CG1-CG2 4.46Å; I120-L177 HydrophobicContact CD1-CD1 4.36Å; I120-I187 HydrophobicContact CG2-CB 4.27Å; I120-I187 HydrophobicContact CG2-CD1 4.2Å; I120-R188 CarbonylContact C-O 3.58Å; I120-R188 WeakPolarHBondContact CA-O 3.42Å
121G92.5Very high89.8Confident4 Ų443.4 Ų43.44%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-102.3171.717500000112.8L123 I187 R188G121-L123 VanDerWaalsContact C-N 3.31Å; G121-I187 WeakPolarHBondContact O-CA 3.46Å; G121-R188 PolarHBondContact N-O 2.83Å; G121-R188 PolarHBondContact O-N 2.87Å
122G89Confident89.8Confident39 Ų3941.6 Ų41.640%0.40222%0.219SC..SBendtrans79.812.5-179.900000113.9G158G122-G158 PolarHBondContact N-O 3.28Å; G122-G158 VanDerWaalsContact N-O 3.11Å
123L90.8Very high90Very high5 Ų545.1 Ų45.13%0.02623%0.23CC..  trans-69.3136.6-178.2-61.2174.5000110.9I120 G121 V127 L132 L147 G158 A160 F182 I187I120-L123 HydrophobicContact CG2-CD1 4.38Å; I120-L123 HydrophobicContact CG2-CD2 3.78Å; I120-L123 HydrophobicContact CG2-CG 4.16Å; G121-L123 VanDerWaalsContact C-N 3.31Å; L123-V127 HydrophobicContact CD2-CG1 4.48Å; L123-L132 HydrophobicContact CD1-CD1 3.86Å; L123-L132 HydrophobicContact CD1-CD2 3.81Å; L123-L132 HydrophobicContact CD1-CG 4.4Å; L123-L132 HydrophobicContact CD2-CD2 3.66Å; L123-L132 HydrophobicContact CG-CD2 4.4Å; L123-L147 HydrophobicContact CD1-CD1 4.22Å; L123-G158 WeakPolarHBondContact CB-O 3.38Å; L123-G158 PolarHBondContact N-O 3.16Å; L123-G158 WeakPolarHBondContact O-CA 3.32Å; L123-A160 HydrophobicContact CD1-CB 3.72Å; L123-F182 HydrophobicContact CD2-CD1 4.42Å; L123-I187 HydrophobicContact CD2-CG2 3.75Å
124P86.3Confident90Very high7 Ų749.7 Ų49.75%0.04525%0.253CS..  trans-71.8157.6170.828.1-27.8000110.9D126 V127 K183 K185P124-D126 WeakPolarHBondContact CB-OD1 3.46Å; P124-D126 WeakPolarHBondContact CG-OD1 3.48Å; P124-D126 PolarHBondContact O-N 2.95Å; P124-V127 HydrophobicContact CG-CG2 3.71Å; P124-V127 PolarHBondContact O-N 2.89Å; P124-K183 HydrophobicContact CG-CB 3.81Å; P124-K185 HydrophobicContact CB-CD 3.76Å; P124-K185 HydrophobicContact CB-CG 4.21Å; P124-K185 HydrophobicContact CG-CD 4.38Å; P124-K185 HydrophobicContact CG-CG 4.49Å
125R84.8Confident90.2Very high175 Ų17548.3 Ų48.366%0.6625%0.247SC*.THydrogen-bonded Turntrans-69.8-18.4-170.1-65.4-173.3-176-162.73.6113.6V127 D155R125-V127 VanDerWaalsContact C-N 3.33Å; R125-D155 IonicContact CZ-OD2 3.75Å; R125-D155 IonicContact NH1-OD2 3.27Å; R125-D155 PolarHBondContact NH1-OD2 3.18Å
126D85.9Confident90.4Very high106 Ų10647.3 Ų47.357%0.56724%0.237SC*.THydrogen-bonded Turntrans-84.4-4.3178.965.6-39.4000113.4P124P124-D126 WeakPolarHBondContact CB-OD1 3.46Å; P124-D126 WeakPolarHBondContact CG-OD1 3.48Å; P124-D126 PolarHBondContact O-N 2.95Å
127V87.5Confident90.5Very high3 Ų352.8 Ų52.82%0.01826%0.262CS..  trans-77.1125.8176.5167.80000110.6L123 P124 R125 D131 L132 L147 F182 K183L123-V127 HydrophobicContact CD2-CG1 4.48Å; P124-V127 HydrophobicContact CG-CG2 3.71Å; P124-V127 PolarHBondContact O-N 2.89Å; R125-V127 VanDerWaalsContact C-N 3.33Å; V127-D131 HydrophobicContact CG1-CB 4.13Å; V127-L132 HydrophobicContact CG1-CD1 4.22Å; V127-L132 HydrophobicContact CG1-CD2 3.89Å; V127-L132 HydrophobicContact CG1-CG 3.69Å; V127-L147 VanDerWaalsContact O-CD2 3.3Å; V127-L147 WeakPolarHBondContact O-CD2 3.42Å; V127-F182 HydrophobicContact CG1-CE1 4.13Å; V127-F182 HydrophobicContact CG2-CD1 4.05Å; V127-F182 HydrophobicContact CG2-CE1 3.58Å; V127-K183 HydrophobicContact CG2-CD 3.73Å; V127-K183 HydrophobicContact CG2-CG 4.46Å
128G88.5Confident90.4Very high25 Ų2557.6 Ų57.626%0.25829%0.285SS..  trans-93.8174.717000000112.7E130 D131 L132G128-E130 VanDerWaalsContact C-N 3.29Å; G128-E130 PolarHBondContact O-N 3.35Å; G128-D131 PolarHBondContact N-OD2 2.86Å; G128-D131 PolarHBondContact O-N 3.17Å; G128-L132 PolarHBondContact O-N 2.8Å
129E91.4Very high90.3Very high95 Ų9558.2 Ų58.244%0.44429%0.288SS..Hα-helixtrans-63.8-36.4174-165.3-17414000111.9L132 R133 V145E129-L132 PolarHBondContact O-N 3.09Å; E129-R133 WeakPolarHBondContact O-CB 3.29Å; E129-R133 PolarHBondContact O-N 2.84Å; E129-V145 HydrophobicContact CG-CB 3.6Å; E129-V145 HydrophobicContact CG-CG1 3.42Å; E129-V145 VanDerWaalsContact CG-CG1 3.42Å
130E91.6Very high90.1Very high160 Ų16056.5 Ų56.575%0.74829%0.286SS*.Hα-helixtrans-60.8-45.4177.8-63.1177176.400111.7G128 L132 R133 D134G128-E130 VanDerWaalsContact C-N 3.29Å; G128-E130 PolarHBondContact O-N 3.35Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.47Å; E130-R133 WeakPolarHBondContact O-CB 3.14Å; E130-R133 PolarHBondContact O-N 2.83Å; E130-D134 PolarHBondContact O-N 3.5Å
131D91.6Very high90.1Very high49 Ų4962.4 Ų62.426%0.26231%0.314SS..Hα-helixtrans-60.8-37.9177.9-64.7-66.9000112.3V127 G128 L135 F182 K183V127-D131 HydrophobicContact CG1-CB 4.13Å; G128-D131 PolarHBondContact N-OD2 2.86Å; G128-D131 PolarHBondContact O-N 3.17Å; D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.47Å; D131-L135 VanDerWaalsContact O-N 3.15Å; D131-F182 HydrophobicContact CB-CE1 4.44Å; D131-F182 HydrophobicContact CB-CZ 4.07Å; D131-K183 WeakPolarHBondContact OD1-CE 3.47Å; D131-K183 IonicContact OD1-NZ 2.74Å; D131-K183 PolarHBondContact OD1-NZ 3.24Å; D131-K183 IonicContact OD2-NZ 3.56Å; D131-K183 PolarHBondContact OD2-NZ 3.21Å
132L91.3Very high90.1Very high0 Ų063.4 Ų63.40%032%0.318CS..Hα-helixtrans-72.9-38.6177.7-67.9173.9000111.5L123 V127 G128 E129 E130 L135 C136 V145 L147 A160L123-L132 HydrophobicContact CD1-CD1 3.86Å; L123-L132 HydrophobicContact CD1-CD2 3.81Å; L123-L132 HydrophobicContact CD1-CG 4.4Å; L123-L132 HydrophobicContact CD2-CD2 3.66Å; L123-L132 HydrophobicContact CG-CD2 4.4Å; V127-L132 HydrophobicContact CG1-CD1 4.22Å; V127-L132 HydrophobicContact CG1-CD2 3.89Å; V127-L132 HydrophobicContact CG1-CG 3.69Å; G128-L132 PolarHBondContact O-N 2.8Å; E129-L132 PolarHBondContact O-N 3.09Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.47Å; L132-L135 PolarHBondContact O-N 3.28Å; L132-C136 WeakPolarHBondContact O-CB 3.29Å; L132-C136 PolarHBondContact O-N 2.9Å; L132-C136 PolarHBondContact O-SG 2.82Å; L132-V145 HydrophobicContact CB-CG1 4.05Å; L132-V145 HydrophobicContact CD1-CG1 4.24Å; L132-L147 HydrophobicContact CD1-CD1 4.13Å; L132-A160 HydrophobicContact CD1-CB 3.34Å
133R93.2Very high90.2Very high97 Ų9765.8 Ų65.837%0.36632%0.317SS..Hα-helixtrans-59.2-49.9173.9176.2176.5-84.8-87.50.5110E129 E130 L135 C136 E137 I142 V145E129-R133 WeakPolarHBondContact O-CB 3.29Å; E129-R133 PolarHBondContact O-N 2.84Å; E130-R133 WeakPolarHBondContact O-CB 3.14Å; E130-R133 PolarHBondContact O-N 2.83Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 2.93Å; R133-C136 PolarHBondContact O-N 3.32Å; R133-E137 WeakPolarHBondContact O-CB 3.32Å; R133-E137 PolarHBondContact O-N 3.34Å; R133-I142 HydrophobicContact CB-CD1 4.38Å; R133-I142 HydrophobicContact CG-CD1 4.08Å; R133-I142 VanDerWaalsContact O-CD1 3.29Å; R133-I142 WeakPolarHBondContact O-CD1 3.38Å; R133-V145 HydrophobicContact CB-CG2 4.33Å
134D92Very high90.3Very high111 Ų11170.6 Ų70.659%0.59434%0.339SS*.Hα-helixtrans-59.5-42.2178.5-68.6-16.1000112E130E130-D134 PolarHBondContact O-N 3.5Å
135L90.2Very high90.6Very high13 Ų1370.7 Ų70.77%0.06834%0.34CS..Hα-helixtrans-65.7-41.7178.4179.465.5000112.8D131 L132 R133 L177 K180 F182 I187D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.47Å; D131-L135 VanDerWaalsContact O-N 3.15Å; L132-L135 PolarHBondContact O-N 3.28Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 2.93Å; L135-L177 HydrophobicContact CD1-CD2 3.79Å; L135-L177 HydrophobicContact CD2-CD2 4.09Å; L135-L177 HydrophobicContact CG-CD1 4.45Å; L135-L177 HydrophobicContact CG-CD2 3.81Å; L135-K180 HydrophobicContact CD1-CD 4.39Å; L135-F182 HydrophobicContact CB-CE2 4.24Å; L135-F182 HydrophobicContact CB-CZ 4.46Å; L135-F182 HydrophobicContact CD1-CD2 4.23Å; L135-F182 HydrophobicContact CD1-CE2 4.22Å; L135-F182 HydrophobicContact CD2-CD2 3.91Å; L135-F182 HydrophobicContact CD2-CE2 3.96Å; L135-F182 HydrophobicContact CD2-CG 4.19Å; L135-F182 HydrophobicContact CD2-CZ 4.26Å; L135-F182 HydrophobicContact CG-CE2 4.37Å; L135-I187 HydrophobicContact CD2-CD1 3.84Å
136C90.6Very high90.9Very high0 Ų067.5 Ų67.50%033%0.328CS..Hα-helixtrans-83.9-24.7-176.4-71.10000112.8L132 R133 E138 I139 G140 I142 V162 F164L132-C136 WeakPolarHBondContact O-CB 3.29Å; L132-C136 PolarHBondContact O-N 2.9Å; L132-C136 PolarHBondContact O-SG 2.82Å; R133-C136 PolarHBondContact O-N 3.32Å; C136-E138 VanDerWaalsContact C-N 3.25Å; C136-E138 PolarHBondContact O-N 3.33Å; C136-I139 WeakPolarHBondContact O-CB 3.29Å; C136-I139 PolarHBondContact O-N 3.49Å; C136-G140 PolarHBondContact O-N 3.02Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.97Å; C136-V162 HydrophobicContact CB-CG1 4.14Å; C136-F164 HydrophobicContact CB-CE1 4.03Å; C136-F164 HydrophobicContact CB-CZ 3.83Å
137E92Very high91.2Very high116 Ų11663.4 Ų63.454%0.54231%0.306SS..Hα-helixtrans-68.9-25.6179.7-174.3166.2-174.700111.7R133 I139 I142R133-E137 WeakPolarHBondContact O-CB 3.32Å; R133-E137 PolarHBondContact O-N 3.34Å; E137-I139 PolarHBondContact O-N 3.5Å; E137-I142 HydrophobicContact CB-CD1 4.18Å
138E90.1Very high91.4Very high149 Ų14965 Ų6570%0.69631%0.313SS*.THydrogen-bonded Turntrans-59.9-27.5170-171.4174.6-165.200112.5C136C136-E138 VanDerWaalsContact C-N 3.25Å; C136-E138 PolarHBondContact O-N 3.33Å
139I90.3Very high91.4Very high14 Ų1469.4 Ų69.47%0.07233%0.325CS..THydrogen-bonded Turntrans-92.5-41.6-174-48.8-175.5000110.9C136 E137 K172 A173 E176 L177C136-I139 WeakPolarHBondContact O-CB 3.29Å; C136-I139 PolarHBondContact O-N 3.49Å; E137-I139 PolarHBondContact O-N 3.5Å; I139-K172 HydrophobicContact CG2-CB 4.24Å; I139-K172 HydrophobicContact CG2-CD 4Å; I139-K172 HydrophobicContact CG2-CG 3.97Å; I139-A173 HydrophobicContact CD1-CB 3.85Å; I139-A173 HydrophobicContact CG2-CB 4.03Å; I139-E176 HydrophobicContact CD1-CB 4.36Å; I139-L177 HydrophobicContact CD1-CD1 3.51Å; I139-L177 HydrophobicContact CD1-CD2 3.76Å; I139-L177 HydrophobicContact CD1-CG 3.37Å
140G90.3Very high91.1Very high19 Ų1967.8 Ų67.820%0.19632%0.32CS..SBendtrans174.4-174.8174.900000114.7C136 I142C136-G140 PolarHBondContact O-N 3.02Å; G140-I142 PolarHBondContact O-N 3.42Å
141E92Very high90.6Very high124 Ų12470.6 Ų70.658%0.57932%0.324SS*.  trans-66.1117.7-175.1-66.4-178.4-175.200112.5K165E141-K165 HydrophobicContact CB-CB 4.41Å; E141-K165 HydrophobicContact CB-CD 4.43Å; E141-K165 PolarHBondContact O-N 3.02Å; E141-K165 VanDerWaalsContact O-N 3.13Å; E141-K165 WeakPolarHBondContact OE2-CD 3.46Å; E141-K165 IonicContact OE2-NZ 2.87Å; E141-K165 PolarHBondContact OE2-NZ 3.08Å
142I93.2Very high90.2Very high25 Ų2574.6 Ų74.613%0.12835%0.345CS..EExtended strand (participates in β ladder)trans-87.5131.9176.5-56.5166.8000109.9R133 C136 E137 G140 V145 V162 F164R133-I142 HydrophobicContact CB-CD1 4.38Å; R133-I142 HydrophobicContact CG-CD1 4.08Å; R133-I142 VanDerWaalsContact O-CD1 3.29Å; R133-I142 WeakPolarHBondContact O-CD1 3.38Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.97Å; E137-I142 HydrophobicContact CB-CD1 4.18Å; G140-I142 PolarHBondContact O-N 3.42Å; I142-V145 HydrophobicContact CD1-CG2 4.47Å; I142-V145 HydrophobicContact CG2-CG2 3.64Å; I142-V162 HydrophobicContact CG1-CG1 4.31Å; I142-V162 HydrophobicContact CG2-CG1 3.88Å; I142-F164 HydrophobicContact CG1-CD1 4.21Å; I142-F164 HydrophobicContact CG1-CE1 3.94Å
143F91.4Very high89.8Confident89 Ų8978 Ų7839%0.3937%0.369SS..EExtended strand (participates in β ladder)trans-85.5-50.7171.4-174.3-94.6000111.4L111 P112 A163L111-F143 HydrophobicContact CD2-CE1 3.78Å; L111-F143 HydrophobicContact CD2-CZ 3.5Å; L111-F143 VanDerWaalsContact CD2-CZ 3.5Å; P112-F143 VanDerWaalsContact CD-CD1 3.49Å; P112-F143 HydrophobicContact CG-CB 3.59Å; P112-F143 HydrophobicContact CG-CD1 3.54Å; P112-F143 HydrophobicContact CG-CD2 3.73Å; P112-F143 HydrophobicContact CG-CE1 4.17Å; P112-F143 HydrophobicContact CG-CE2 4.32Å; P112-F143 HydrophobicContact CG-CG 3.31Å; F143-A163 WeakPolarHBondContact CA-O 3.36Å; F143-A163 HydrophobicContact CB-CB 4.35Å; F143-A163 WeakPolarHBondContact CB-O 3.49Å; F143-A163 PolarHBondContact N-O 3.43Å
144E91.8Very high89.1Confident106 Ų10675.7 Ų75.750%0.49538%0.375SS..EExtended strand (participates in β ladder)trans-149.4145.8-176.1-173.4178.4176.800111.1V162 A163E144-V162 WeakPolarHBondContact O-CA 3.25Å; E144-A163 HydrophobicContact CB-CB 4.16Å; E144-A163 PolarHBondContact N-O 3.03Å; E144-A163 VanDerWaalsContact N-O 3.16Å; E144-A163 PolarHBondContact O-N 2.65Å
145V92.9Very high88.5Confident8 Ų873.3 Ų73.35%0.04836%0.362CS..EExtended strand (participates in β ladder)trans-123.2127.1171.7-1760000107.9E129 L132 R133 I142 V162E129-V145 HydrophobicContact CG-CB 3.6Å; E129-V145 HydrophobicContact CG-CG1 3.42Å; E129-V145 VanDerWaalsContact CG-CG1 3.42Å; L132-V145 HydrophobicContact CB-CG1 4.05Å; L132-V145 HydrophobicContact CD1-CG1 4.24Å; R133-V145 HydrophobicContact CB-CG2 4.33Å; I142-V145 HydrophobicContact CD1-CG2 4.47Å; I142-V145 HydrophobicContact CG2-CG2 3.64Å; V145-V162 HydrophobicContact CG1-CG2 4.21Å; V145-V162 HydrophobicContact CG2-CG1 4.34Å
146R91.6Very high88.2Confident109 Ų10973.3 Ų73.341%0.41136%0.363SS..EExtended strand (participates in β ladder)trans-12599.6178.7-169.5177.277.4165.32.1110.4M148 A160 F161R146-M148 HydrophobicContact CG-SD 4.05Å; R146-M148 PolarHBondContact NE-SD 3.17Å; R146-M148 VanDerWaalsContact NE-SD 3.44Å; R146-A160 CarbonylContact O-C 3.47Å; R146-A160 VanDerWaalsContact O-CA 3.28Å; R146-A160 WeakPolarHBondContact O-CA 3.34Å; R146-F161 HydrophobicContact CB-CB 4.4Å; R146-F161 PolarHBondContact N-O 3.42Å; R146-F161 PolarHBondContact O-N 3.47Å
147L91.9Very high88.1Confident20 Ų2078 Ų7811%0.10538%0.383CS..EExtended strand (participates in β ladder)trans-82.2118.5173.5179.962.9000110.1L123 V127 L132 K149 A160L123-L147 HydrophobicContact CD1-CD1 4.22Å; V127-L147 VanDerWaalsContact O-CD2 3.3Å; V127-L147 WeakPolarHBondContact O-CD2 3.42Å; L132-L147 HydrophobicContact CD1-CD1 4.13Å; L147-K149 HydrophobicContact CG-CG 4.43Å; L147-K149 PolarHBondContact O-N 3.43Å; L147-A160 HydrophobicContact CD1-CB 4.01Å
148M91Very high87.9Confident35 Ų3573.1 Ų73.117%0.17237%0.365CS..EExtended strand (participates in β ladder)trans-81.4119.2-177.9-60.6-64.1-95.900109.4R146 K157 Y159 F161R146-M148 HydrophobicContact CG-SD 4.05Å; R146-M148 PolarHBondContact NE-SD 3.17Å; R146-M148 VanDerWaalsContact NE-SD 3.44Å; M148-K157 HydrophobicContact CB-CB 4.48Å; M148-K157 HydrophobicContact CB-CD 4.39Å; M148-K157 WeakPolarHBondContact O-CB 3.33Å; M148-K157 PolarHBondContact O-N 2.83Å; M148-Y159 HydrophobicContact CB-CD2 4.04Å; M148-Y159 HydrophobicContact CB-CE1 4.1Å; M148-Y159 HydrophobicContact CB-CE2 3.63Å; M148-Y159 HydrophobicContact CB-CG 4.49Å; M148-Y159 HydrophobicContact CE-CE2 4.48Å; M148-Y159 HydrophobicContact CG-CD2 3.85Å; M148-Y159 HydrophobicContact CG-CE2 3.37Å; M148-Y159 PolarHBondContact N-O 3.46Å; M148-Y159 VanDerWaalsContact N-O 3.15Å; M148-F161 HydrophobicContact CE-CE2 4.09Å; M148-F161 HydrophobicContact CG-CD2 3.9Å; M148-F161 HydrophobicContact CG-CE2 3.83Å; M148-F161 HydrophobicContact SD-CD2 4.24Å; M148-F161 HydrophobicContact SD-CE2 4.25Å
149K89.9Confident88Confident118 Ų11868.4 Ų68.451%0.51334%0.341SS..EExtended strand (participates in β ladder)trans-111.9146.9178.6-63.1179.4-178.81780109.9L147 D155 K157L147-K149 HydrophobicContact CG-CG 4.43Å; L147-K149 PolarHBondContact O-N 3.43Å; K149-D155 CarbonylContact C-O 3.51Å; K149-D155 VanDerWaalsContact CA-O 3.3Å; K149-D155 WeakPolarHBondContact CA-O 3.28Å; K149-K157 WeakPolarHBondContact O-CE 2.98Å
150D85.3Confident88.2Confident62 Ų6267.8 Ų67.833%0.33234%0.338SS..  trans-67.7131.5172.8-17210.8000109D152 G154 D155 K157D150-D152 PolarHBondContact O-N 3.13Å; D150-G154 WeakPolarHBondContact O-CA 3.4Å; D150-G154 PolarHBondContact O-N 3.16Å; D150-D155 PolarHBondContact N-O 2.85Å; D150-K157 HydrophobicContact CB-CG 4.26Å
151R81.2Confident88.3Confident219 Ų21968.4 Ų68.483%0.82634%0.335SS*.THydrogen-bonded Turntrans-65.5-35.4-176.2-175.4-178.566.5-164.5-4.5110.9
152D82.1Confident88.4Confident133 Ų13362.5 Ų62.571%0.71131%0.308SS*.THydrogen-bonded Turntrans-85.2-42-171.4-59.9-34.4000111.6D150D150-D152 PolarHBondContact O-N 3.13Å
153S82.3Confident88.4Confident71 Ų7161.9 Ų61.950%0.49731%0.306SS..THydrogen-bonded Turntrans-90.8-22.9-180-166.20000113.9D155S153-D155 PolarHBondContact O-N 2.78Å; S153-D155 VanDerWaalsContact OG-CG 3.26Å; S153-D155 PolarHBondContact OG-OD1 3.03Å; S153-D155 PolarHBondContact OG-OD2 3.22Å
154G79.7Confident88.5Confident48 Ų4857.6 Ų57.650%0.49529%0.287SS..  trans70.1-3.1-166.900000114.3D150D150-G154 WeakPolarHBondContact O-CA 3.4Å; D150-G154 PolarHBondContact O-N 3.16Å
155D80Confident88.4Confident62 Ų6258.5 Ų58.533%0.33229%0.289SS..  trans-69.3145.3178-79.94.6000110.5R125 K149 D150 S153 K157R125-D155 IonicContact CZ-OD2 3.75Å; R125-D155 IonicContact NH1-OD2 3.27Å; R125-D155 PolarHBondContact NH1-OD2 3.18Å; K149-D155 CarbonylContact C-O 3.51Å; K149-D155 VanDerWaalsContact CA-O 3.3Å; K149-D155 WeakPolarHBondContact CA-O 3.28Å; D150-D155 PolarHBondContact N-O 2.85Å; S153-D155 PolarHBondContact O-N 2.78Å; S153-D155 VanDerWaalsContact OG-CG 3.26Å; S153-D155 PolarHBondContact OG-OD1 3.03Å; S153-D155 PolarHBondContact OG-OD2 3.22Å; D155-K157 PolarHBondContact O-N 2.98Å
156S83.7Confident88.3Confident12 Ų1260.8 Ų60.88%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-60.3128.7170.8-55.70000110.3G158S156-G158 PolarHBondContact O-N 3.43Å
157K87.7Confident88.2Confident98 Ų9859 Ų5943%0.42630%0.299SS..EExtended strand (participates in β ladder)trans-67.1-0.8174.7-64.5-170.2174.7-172.20113M148 K149 D150 D155 Y159M148-K157 HydrophobicContact CB-CB 4.48Å; M148-K157 HydrophobicContact CB-CD 4.39Å; M148-K157 WeakPolarHBondContact O-CB 3.33Å; M148-K157 PolarHBondContact O-N 2.83Å; K149-K157 WeakPolarHBondContact O-CE 2.98Å; D150-K157 HydrophobicContact CB-CG 4.26Å; D155-K157 PolarHBondContact O-N 2.98Å; K157-Y159 HydrophobicContact CB-CD1 3.69Å; K157-Y159 HydrophobicContact CB-CE1 3.38Å; K157-Y159 HydrophobicContact CD-CE1 3.76Å; K157-Y159 HydrophobicContact CG-CE1 4.2Å
158G88.5Confident88.2Confident15 Ų1564.4 Ų64.416%0.15533%0.328CS..EExtended strand (participates in β ladder)trans81.815179.500000113.9G122 L123 S156G122-G158 PolarHBondContact N-O 3.28Å; G122-G158 VanDerWaalsContact N-O 3.11Å; L123-G158 WeakPolarHBondContact CB-O 3.38Å; L123-G158 PolarHBondContact N-O 3.16Å; L123-G158 WeakPolarHBondContact O-CA 3.32Å; S156-G158 PolarHBondContact O-N 3.43Å
159Y92.2Very high88.3Confident50 Ų5064.2 Ų64.220%0.19633%0.328CS..EExtended strand (participates in β ladder)trans-145.7156.7173.369.9-84.6000112.6F119 I120 M148 K157 F161F119-Y159 HydrophobicContact CD2-CD2 4.04Å; F119-Y159 AromaticContact CE2-CD2 3.37Å; F119-Y159 HydrophobicContact CE2-CD2 3.37Å; F119-Y159 HydrophobicContact CE2-CE2 4.16Å; F119-Y159 AromaticContact CE2-CG 3.68Å; F119-Y159 HydrophobicContact CE2-CG 3.68Å; F119-Y159 HydrophobicContact CZ-CD2 4.26Å; F119-Y159 HydrophobicContact CZ-CG 4.13Å; I120-Y159 CarbonylContact O-C 3.58Å; I120-Y159 WeakPolarHBondContact O-CA 3.12Å; I120-Y159 WeakPolarHBondContact O-CB 2.96Å; M148-Y159 HydrophobicContact CB-CD2 4.04Å; M148-Y159 HydrophobicContact CB-CE1 4.1Å; M148-Y159 HydrophobicContact CB-CE2 3.63Å; M148-Y159 HydrophobicContact CB-CG 4.49Å; M148-Y159 HydrophobicContact CE-CE2 4.48Å; M148-Y159 HydrophobicContact CG-CD2 3.85Å; M148-Y159 HydrophobicContact CG-CE2 3.37Å; M148-Y159 PolarHBondContact N-O 3.46Å; M148-Y159 VanDerWaalsContact N-O 3.15Å; K157-Y159 HydrophobicContact CB-CD1 3.69Å; K157-Y159 HydrophobicContact CB-CE1 3.38Å; K157-Y159 HydrophobicContact CD-CE1 3.76Å; K157-Y159 HydrophobicContact CG-CE1 4.2Å; Y159-F161 AromaticContact CD2-CE2 3.99Å; Y159-F161 HydrophobicContact CD2-CE2 3.99Å; Y159-F161 HydrophobicContact CD2-CZ 4.33Å; Y159-F161 AromaticContact CE2-CE2 3.65Å; Y159-F161 HydrophobicContact CE2-CE2 3.65Å; Y159-F161 HydrophobicContact CE2-CZ 4.06Å
160A93.2Very high88.3Confident0 Ų058.6 Ų58.60%030%0.304CS..EExtended strand (participates in β ladder)trans-141.3160.3179.100000111.1I120 L123 L132 R146 L147I120-A160 PolarHBondContact N-O 3.04Å; I120-A160 PolarHBondContact O-N 3.03Å; L123-A160 HydrophobicContact CD1-CB 3.72Å; L132-A160 HydrophobicContact CD1-CB 3.34Å; R146-A160 CarbonylContact O-C 3.47Å; R146-A160 VanDerWaalsContact O-CA 3.28Å; R146-A160 WeakPolarHBondContact O-CA 3.34Å; L147-A160 HydrophobicContact CD1-CB 4.01Å
161F93.6Very high88.6Confident33 Ų3359.4 Ų59.415%0.14531%0.306CS..EExtended strand (participates in β ladder)trans-113.4134.3169.6-62.5-83.4000109.1E117 V118 F119 R146 M148 Y159 S192E117-F161 HydrophobicContact CG-CB 4.25Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.49Å; V118-F161 CarbonylContact O-C 3.46Å; V118-F161 WeakPolarHBondContact O-CA 3.26Å; F119-F161 HydrophobicContact CB-CD1 4.29Å; F119-F161 HydrophobicContact CB-CE1 4.18Å; F119-F161 HydrophobicContact CD2-CD1 4.27Å; F119-F161 AromaticContact CD2-CE1 3.68Å; F119-F161 HydrophobicContact CD2-CE1 3.68Å; F119-F161 AromaticContact CD2-CZ 3.94Å; F119-F161 HydrophobicContact CD2-CZ 3.94Å; F119-F161 HydrophobicContact CG-CE1 4.43Å; R146-F161 HydrophobicContact CB-CB 4.4Å; R146-F161 PolarHBondContact N-O 3.42Å; R146-F161 PolarHBondContact O-N 3.47Å; M148-F161 HydrophobicContact CE-CE2 4.09Å; M148-F161 HydrophobicContact CG-CD2 3.9Å; M148-F161 HydrophobicContact CG-CE2 3.83Å; M148-F161 HydrophobicContact SD-CD2 4.24Å; M148-F161 HydrophobicContact SD-CE2 4.25Å; Y159-F161 AromaticContact CD2-CE2 3.99Å; Y159-F161 HydrophobicContact CD2-CE2 3.99Å; Y159-F161 HydrophobicContact CD2-CZ 4.33Å; Y159-F161 AromaticContact CE2-CE2 3.65Å; Y159-F161 HydrophobicContact CE2-CE2 3.65Å; Y159-F161 HydrophobicContact CE2-CZ 4.06Å; F161-S192 VanDerWaalsContact CD1-OG 3.29Å; F161-S192 WeakPolarHBondContact CD1-OG 3.43Å; F161-S192 WeakPolarHBondContact CE1-OG 3.35Å
162V93.5Very high89.1Confident0 Ų053.2 Ų53.20%029%0.285CS..EExtended strand (participates in β ladder)trans-125.3114.4177.9-178.30000108.3E117 V118 I120 C136 I142 E144 V145 F164E117-V162 CarbonylContact C-O 3.56Å; E117-V162 WeakPolarHBondContact CA-O 3.47Å; V118-V162 HydrophobicContact CG2-CB 3.81Å; V118-V162 PolarHBondContact N-O 3.49Å; V118-V162 PolarHBondContact O-N 2.71Å; I120-V162 HydrophobicContact CD1-CB 4.49Å; I120-V162 HydrophobicContact CD1-CG2 3.71Å; I120-V162 HydrophobicContact CG1-CG2 4.46Å; C136-V162 HydrophobicContact CB-CG1 4.14Å; I142-V162 HydrophobicContact CG1-CG1 4.31Å; I142-V162 HydrophobicContact CG2-CG1 3.88Å; E144-V162 WeakPolarHBondContact O-CA 3.25Å; V145-V162 HydrophobicContact CG1-CG2 4.21Å; V145-V162 HydrophobicContact CG2-CG1 4.34Å; V162-F164 HydrophobicContact CG1-CD2 4.46Å; V162-F164 HydrophobicContact CG1-CE1 4.41Å; V162-F164 HydrophobicContact CG1-CE2 4.04Å; V162-F164 HydrophobicContact CG1-CZ 4.01Å
163A92.7Very high89.6Confident11 Ų1146.9 Ų46.99%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-88.9119173.600000109.2E117 F143 E144E117-A163 HydrophobicContact CB-CB 4.45Å; E117-A163 HydrophobicContact CG-CB 4.37Å; F143-A163 WeakPolarHBondContact CA-O 3.36Å; F143-A163 HydrophobicContact CB-CB 4.35Å; F143-A163 WeakPolarHBondContact CB-O 3.49Å; F143-A163 PolarHBondContact N-O 3.43Å; E144-A163 HydrophobicContact CB-CB 4.16Å; E144-A163 PolarHBondContact N-O 3.03Å; E144-A163 VanDerWaalsContact N-O 3.16Å; E144-A163 PolarHBondContact O-N 2.65Å
164F93.8Very high90Very high0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-89.1163.9169.2-67-80.4000110.7P112 S116 V118 C136 I142 V162 T166 V169 A170 A173P112-F164 VanDerWaalsContact CB-O 3.27Å; P112-F164 WeakPolarHBondContact CB-O 3.27Å; P112-F164 WeakPolarHBondContact CG-O 3.28Å; S116-F164 VanDerWaalsContact CB-O 3.28Å; S116-F164 WeakPolarHBondContact CB-O 3.46Å; S116-F164 PolarHBondContact O-N 3.33Å; V118-F164 HydrophobicContact CG1-CD2 4.23Å; V118-F164 HydrophobicContact CG1-CE2 4Å; V118-F164 HydrophobicContact CG2-CD2 4.33Å; V118-F164 HydrophobicContact CG2-CE2 3.64Å; C136-F164 HydrophobicContact CB-CE1 4.03Å; C136-F164 HydrophobicContact CB-CZ 3.83Å; I142-F164 HydrophobicContact CG1-CD1 4.21Å; I142-F164 HydrophobicContact CG1-CE1 3.94Å; V162-F164 HydrophobicContact CG1-CD2 4.46Å; V162-F164 HydrophobicContact CG1-CE1 4.41Å; V162-F164 HydrophobicContact CG1-CE2 4.04Å; V162-F164 HydrophobicContact CG1-CZ 4.01Å; F164-T166 VanDerWaalsContact C-N 3.29Å; F164-T166 PolarHBondContact O-N 3.27Å; F164-V169 HydrophobicContact CB-CB 4.2Å; F164-V169 HydrophobicContact CB-CG1 4.07Å; F164-V169 HydrophobicContact CD1-CB 4.37Å; F164-V169 HydrophobicContact CD1-CG1 3.35Å; F164-V169 HydrophobicContact CE1-CG1 3.84Å; F164-V169 HydrophobicContact CG-CB 4.35Å; F164-V169 HydrophobicContact CG-CG1 3.75Å; F164-A170 HydrophobicContact CB-CB 4.41Å; F164-A170 HydrophobicContact CD2-CB 3.83Å; F164-A173 HydrophobicContact CD2-CB 4.44Å; F164-A173 HydrophobicContact CE2-CB 3.47Å; F164-A173 VanDerWaalsContact CE2-CB 3.47Å; F164-A173 HydrophobicContact CZ-CB 3.51Å
165K90.3Very high90.6Very high124 Ų12449 Ų4954%0.53924%0.241SC..SBendtrans-68.7-26.8176.8-168.8172177.1175.90113.6E141E141-K165 HydrophobicContact CB-CB 4.41Å; E141-K165 HydrophobicContact CB-CD 4.43Å; E141-K165 PolarHBondContact O-N 3.02Å; E141-K165 VanDerWaalsContact O-N 3.13Å; E141-K165 WeakPolarHBondContact OE2-CD 3.46Å; E141-K165 IonicContact OE2-NZ 2.87Å; E141-K165 PolarHBondContact OE2-NZ 3.08Å
166T90Very high91Very high57 Ų5750.7 Ų50.735%0.3525%0.247SC..SBendtrans-137.3153.5-176.967.20000111.9F164 D168 V169 A170F164-T166 VanDerWaalsContact C-N 3.29Å; F164-T166 PolarHBondContact O-N 3.27Å; T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 2.97Å; T166-V169 PolarHBondContact O-N 3.44Å; T166-V169 VanDerWaalsContact OG1-CG2 3.23Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.1Å; T166-V169 PolarHBondContact OG1-N 2.96Å; T166-A170 PolarHBondContact O-N 3.28Å
167K90.5Very high91.3Very high71 Ų7150.1 Ų50.131%0.30924%0.243SC..Hα-helixtrans-65.4-34.1178.4-53.5-173.4-166.4-160.70111.9P113 H114 S116 A170 Q171P113-K167 VanDerWaalsContact CB-CE 3.49Å; P113-K167 HydrophobicContact CG-CG 4Å; H114-K167 PolarHBondContact CD2-NZ 2.97Å; H114-K167 PolarHBondContact CE1-NZ 3.29Å; H114-K167 PolarHBondContact ND1-NZ 2.75Å; H114-K167 PolarHBondContact NE2-NZ 2.83Å; H114-K167 WeakPolarHBondContact O-CD 3.31Å; H114-K167 WeakPolarHBondContact O-CE 3.41Å; H114-K167 PolarHBondContact O-NZ 3.43Å; S116-K167 WeakPolarHBondContact OG-CA 3.28Å; S116-K167 WeakPolarHBondContact OG-CG 3.5Å; S116-K167 PolarHBondContact OG-N 2.8Å; K167-A170 WeakPolarHBondContact O-CB 3.23Å; K167-A170 PolarHBondContact O-N 3.46Å; K167-Q171 WeakPolarHBondContact O-CB 3.39Å; K167-Q171 PolarHBondContact O-N 3.04Å
168D90.9Very high91.4Very high133 Ų13349.8 Ų49.871%0.71124%0.243SC*.Hα-helixtrans-66.4-39.6-178.8-56.7-45.9000111.5T166 Q171 K172T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 2.97Å; D168-Q171 PolarHBondContact O-N 3.32Å; D168-K172 WeakPolarHBondContact O-CB 3.48Å; D168-K172 PolarHBondContact O-N 3.39Å
169V92.3Very high91.4Very high31 Ų3153 Ų5319%0.18826%0.263CS..Hα-helixtrans-67.8-41.4175.4176.70000110.5F164 T166 Q171 K172 A173F164-V169 HydrophobicContact CB-CB 4.2Å; F164-V169 HydrophobicContact CB-CG1 4.07Å; F164-V169 HydrophobicContact CD1-CB 4.37Å; F164-V169 HydrophobicContact CD1-CG1 3.35Å; F164-V169 HydrophobicContact CE1-CG1 3.84Å; F164-V169 HydrophobicContact CG-CB 4.35Å; F164-V169 HydrophobicContact CG-CG1 3.75Å; T166-V169 PolarHBondContact O-N 3.44Å; T166-V169 VanDerWaalsContact OG1-CG2 3.23Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.1Å; T166-V169 PolarHBondContact OG1-N 2.96Å; V169-Q171 VanDerWaalsContact C-N 3.33Å; V169-Q171 PolarHBondContact O-N 3.2Å; V169-K172 PolarHBondContact O-N 3.43Å; V169-A173 WeakPolarHBondContact O-CB 3.47Å; V169-A173 PolarHBondContact O-N 2.82Å
170A91.6Very high91.2Very high0 Ų054.3 Ų54.30%027%0.27CS..Hα-helixtrans-59.6-43.5174.700000112.2S116 V118 F164 T166 K167 A173 I174S116-A170 WeakPolarHBondContact O-CB 3.33Å; V118-A170 HydrophobicContact CG1-CB 3.77Å; V118-A170 WeakPolarHBondContact CG1-O 3.29Å; F164-A170 HydrophobicContact CB-CB 4.41Å; F164-A170 HydrophobicContact CD2-CB 3.83Å; T166-A170 PolarHBondContact O-N 3.28Å; K167-A170 WeakPolarHBondContact O-CB 3.23Å; K167-A170 PolarHBondContact O-N 3.46Å; A170-A173 WeakPolarHBondContact O-CB 3.42Å; A170-A173 PolarHBondContact O-N 3.41Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3.08Å; A170-I174 VanDerWaalsContact O-N 3.09Å
171Q91Very high91Very high80 Ų8061.8 Ų61.837%0.37431%0.305SS..Hα-helixtrans-63.4-44.9176.1-176.961.631.200111.8K167 D168 V169 A173 I174 E175K167-Q171 WeakPolarHBondContact O-CB 3.39Å; K167-Q171 PolarHBondContact O-N 3.04Å; D168-Q171 PolarHBondContact O-N 3.32Å; V169-Q171 VanDerWaalsContact C-N 3.33Å; V169-Q171 PolarHBondContact O-N 3.2Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 2.74Å; Q171-I174 WeakPolarHBondContact O-CB 3.23Å; Q171-I174 PolarHBondContact O-N 2.89Å; Q171-I174 VanDerWaalsContact O-N 3.16Å; Q171-E175 PolarHBondContact NE2-OE1 3.46Å; Q171-E175 VanDerWaalsContact NE2-OE1 3.12Å; Q171-E175 PolarHBondContact O-N 2.86Å; Q171-E175 VanDerWaalsContact O-N 3.11Å
172K91.8Very high90.7Very high88 Ų8861.7 Ų61.738%0.38330%0.304SS..Hα-helixtrans-60.3-40.1174.5-173-174.9170.9-1630111.6I139 D168 V169 I174 E175 E176I139-K172 HydrophobicContact CG2-CB 4.24Å; I139-K172 HydrophobicContact CG2-CD 4Å; I139-K172 HydrophobicContact CG2-CG 3.97Å; D168-K172 WeakPolarHBondContact O-CB 3.48Å; D168-K172 PolarHBondContact O-N 3.39Å; V169-K172 PolarHBondContact O-N 3.43Å; K172-I174 VanDerWaalsContact C-N 3.26Å; K172-I174 PolarHBondContact O-N 3.44Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-E175 VanDerWaalsContact O-N 3.15Å; K172-E176 WeakPolarHBondContact CE-OE1 3.47Å; K172-E176 IonicContact NZ-OE1 3.3Å; K172-E176 PolarHBondContact O-N 2.8Å
173A92.2Very high90.3Very high0 Ų066 Ų660%032%0.323CS..Hα-helixtrans-62.9-33.4176.900000112.6I139 F164 V169 A170 Q171 L177I139-A173 HydrophobicContact CD1-CB 3.85Å; I139-A173 HydrophobicContact CG2-CB 4.03Å; F164-A173 HydrophobicContact CD2-CB 4.44Å; F164-A173 HydrophobicContact CE2-CB 3.47Å; F164-A173 VanDerWaalsContact CE2-CB 3.47Å; F164-A173 HydrophobicContact CZ-CB 3.51Å; V169-A173 WeakPolarHBondContact O-CB 3.47Å; V169-A173 PolarHBondContact O-N 2.82Å; A170-A173 WeakPolarHBondContact O-CB 3.42Å; A170-A173 PolarHBondContact O-N 3.41Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 2.74Å; A173-L177 HydrophobicContact CB-CD1 4.43Å; A173-L177 WeakPolarHBondContact O-CB 3.43Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.5Å; A173-L177 PolarHBondContact O-N 3.26Å
174I91.7Very high89.9Confident24 Ų2469.2 Ų69.212%0.12336%0.356CS..Hα-helixtrans-67.4-47.9172.6-65.5162.5000110.1V118 A170 Q171 K172 E176 H178 L191V118-I174 HydrophobicContact CG1-CD1 4.09Å; V118-I174 HydrophobicContact CG1-CG1 3.89Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3.08Å; A170-I174 VanDerWaalsContact O-N 3.09Å; Q171-I174 WeakPolarHBondContact O-CB 3.23Å; Q171-I174 PolarHBondContact O-N 2.89Å; Q171-I174 VanDerWaalsContact O-N 3.16Å; K172-I174 VanDerWaalsContact C-N 3.26Å; K172-I174 PolarHBondContact O-N 3.44Å; I174-E176 VanDerWaalsContact C-N 3.29Å; I174-E176 PolarHBondContact O-N 2.76Å; I174-H178 WeakPolarHBondContact O-CB 3.47Å; I174-H178 PolarHBondContact O-N 3.2Å; I174-L191 HydrophobicContact CD1-CB 4.14Å; I174-L191 HydrophobicContact CD1-CD2 3.52Å; I174-L191 HydrophobicContact CD1-CG 3.41Å; I174-L191 VanDerWaalsContact CD1-CG 3.41Å; I174-L191 VanDerWaalsContact CD1-N 3.3Å
175E90.6Very high89.6Confident139 Ų13974 Ų7465%0.6538%0.377SS*.Hα-helixtrans-62.3-35.4-178.3-69.4169.9-163.900112.9Q171 K172Q171-E175 PolarHBondContact NE2-OE1 3.46Å; Q171-E175 VanDerWaalsContact NE2-OE1 3.12Å; Q171-E175 PolarHBondContact O-N 2.86Å; Q171-E175 VanDerWaalsContact O-N 3.11Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-E175 VanDerWaalsContact O-N 3.15Å
176E90.1Very high89.6Confident98 Ų9872.4 Ų72.446%0.45838%0.378SS..Hα-helixtrans-91.8-31.3-178-68.8-176.3-177.500114.6I139 K172 I174I139-E176 HydrophobicContact CD1-CB 4.36Å; K172-E176 WeakPolarHBondContact CE-OE1 3.47Å; K172-E176 IonicContact NZ-OE1 3.3Å; K172-E176 PolarHBondContact O-N 2.8Å; I174-E176 VanDerWaalsContact C-N 3.29Å; I174-E176 PolarHBondContact O-N 2.76Å
177L90.2Very high89.8Confident1 Ų169.8 Ų69.81%0.00536%0.362CS..Hα-helixtrans-96.8-18.2-177.8-59.8177.5000113.7I120 L135 I139 A173 S179 K180 I187 C189I120-L177 HydrophobicContact CD1-CD1 4.36Å; L135-L177 HydrophobicContact CD1-CD2 3.79Å; L135-L177 HydrophobicContact CD2-CD2 4.09Å; L135-L177 HydrophobicContact CG-CD1 4.45Å; L135-L177 HydrophobicContact CG-CD2 3.81Å; I139-L177 HydrophobicContact CD1-CD1 3.51Å; I139-L177 HydrophobicContact CD1-CD2 3.76Å; I139-L177 HydrophobicContact CD1-CG 3.37Å; A173-L177 HydrophobicContact CB-CD1 4.43Å; A173-L177 WeakPolarHBondContact O-CB 3.43Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.5Å; A173-L177 PolarHBondContact O-N 3.26Å; L177-S179 PolarHBondContact O-N 2.79Å; L177-K180 HydrophobicContact CD2-CD 3.78Å; L177-K180 WeakPolarHBondContact O-CB 3.24Å; L177-K180 PolarHBondContact O-N 3.48Å; L177-K180 VanDerWaalsContact O-N 3.17Å; L177-I187 HydrophobicContact CB-CD1 4.09Å; L177-I187 WeakPolarHBondContact O-CG1 3.26Å; L177-C189 HydrophobicContact CB-CB 3.88Å
178H88.9Confident89.8Confident91 Ų9173.4 Ų73.442%0.42137%0.374SS..THydrogen-bonded Turntrans-63.8125.6178.4-170.784.7000110.3I174 K180 C189I174-H178 WeakPolarHBondContact O-CB 3.47Å; I174-H178 PolarHBondContact O-N 3.2Å; H178-K180 PolarHBondContact O-N 3.06Å; H178-C189 HydrophobicContact CB-CB 4.29Å; H178-C189 PolarHBondContact ND1-O 3.34Å
179S87.6Confident89.9Confident83 Ų8367.1 Ų67.158%0.5834%0.34SS*.THydrogen-bonded Turntrans6618.5-176.9-52.50000115.1L177 I187L177-S179 PolarHBondContact O-N 2.79Å; S179-I187 WeakPolarHBondContact CA-O 3.15Å; S179-I187 PolarHBondContact N-O 2.92Å
180K88.2Confident89.8Confident77 Ų7767.4 Ų67.434%0.33534%0.343SS..  trans-74.7142.7173-169.2173.6-178.8178.50110.4L135 L177 H178 T186 I187L135-K180 HydrophobicContact CD1-CD 4.39Å; L177-K180 HydrophobicContact CD2-CD 3.78Å; L177-K180 WeakPolarHBondContact O-CB 3.24Å; L177-K180 PolarHBondContact O-N 3.48Å; L177-K180 VanDerWaalsContact O-N 3.17Å; H178-K180 PolarHBondContact O-N 3.06Å; K180-T186 WeakPolarHBondContact O-CA 3.47Å; K180-I187 HydrophobicContact CB-CD1 4.37Å; K180-I187 HydrophobicContact CB-CG1 4.11Å; K180-I187 VanDerWaalsContact O-CG1 3.25Å; K180-I187 WeakPolarHBondContact O-CG1 3.32Å; K180-I187 PolarHBondContact O-N 2.97Å
181E89.5Confident89.7Confident157 Ų15771.4 Ų71.473%0.73436%0.364SS*.EExtended strand (participates in β ladder)trans-80.3122.2169.8-68.4-171.8172.900110.4K185 T186E181-K185 WeakPolarHBondContact CA-O 3.48Å; E181-T186 HydrophobicContact CG-CG2 4.12Å
182F86.8Confident89.5Confident31 Ų3168.2 Ų68.214%0.13635%0.351CS..EExtended strand (participates in β ladder)trans-132120.5178.3-169.4-113.8000110.4L123 V127 D131 L135 G184 K185 I187L123-F182 HydrophobicContact CD2-CD1 4.42Å; V127-F182 HydrophobicContact CG1-CE1 4.13Å; V127-F182 HydrophobicContact CG2-CD1 4.05Å; V127-F182 HydrophobicContact CG2-CE1 3.58Å; D131-F182 HydrophobicContact CB-CE1 4.44Å; D131-F182 HydrophobicContact CB-CZ 4.07Å; L135-F182 HydrophobicContact CB-CE2 4.24Å; L135-F182 HydrophobicContact CB-CZ 4.46Å; L135-F182 HydrophobicContact CD1-CD2 4.23Å; L135-F182 HydrophobicContact CD1-CE2 4.22Å; L135-F182 HydrophobicContact CD2-CD2 3.91Å; L135-F182 HydrophobicContact CD2-CE2 3.96Å; L135-F182 HydrophobicContact CD2-CG 4.19Å; L135-F182 HydrophobicContact CD2-CZ 4.26Å; L135-F182 HydrophobicContact CG-CE2 4.37Å; F182-G184 PolarHBondContact O-N 2.79Å; F182-G184 VanDerWaalsContact O-N 3.14Å; F182-K185 PolarHBondContact N-O 3.26Å; F182-K185 PolarHBondContact O-N 3.42Å; F182-K185 VanDerWaalsContact O-O 3.08Å; F182-I187 HydrophobicContact CB-CD1 4.41Å; F182-I187 HydrophobicContact CB-CG1 4.34Å; F182-I187 HydrophobicContact CB-CG2 3.73Å; F182-I187 HydrophobicContact CD1-CG2 4.5Å
183K84.9Confident89Confident91 Ų9171.9 Ų71.940%0.39637%0.369SS..THydrogen-bonded Turntrans4740.7-176-62.7-166.2-176.7179.50113.8P124 V127 D131P124-K183 HydrophobicContact CG-CB 3.81Å; V127-K183 HydrophobicContact CG2-CD 3.73Å; V127-K183 HydrophobicContact CG2-CG 4.46Å; D131-K183 WeakPolarHBondContact OD1-CE 3.47Å; D131-K183 IonicContact OD1-NZ 2.74Å; D131-K183 PolarHBondContact OD1-NZ 3.24Å; D131-K183 IonicContact OD2-NZ 3.56Å; D131-K183 PolarHBondContact OD2-NZ 3.21Å
184G85.1Confident88.5Confident77 Ų7773.4 Ų73.479%0.79438%0.379SS*.THydrogen-bonded Turntrans78.911.4177.100000115.4F182F182-G184 PolarHBondContact O-N 2.79Å; F182-G184 VanDerWaalsContact O-N 3.14Å
185K87.9Confident88.3Confident101 Ų10178.4 Ų78.444%0.43940%0.4SS..EExtended strand (participates in β ladder)trans-125.3149169.4-65.3-165.4-177.9-176.10110.8P124 E181 F182P124-K185 HydrophobicContact CB-CD 3.76Å; P124-K185 HydrophobicContact CB-CG 4.21Å; P124-K185 HydrophobicContact CG-CD 4.38Å; P124-K185 HydrophobicContact CG-CG 4.49Å; E181-K185 WeakPolarHBondContact CA-O 3.48Å; F182-K185 PolarHBondContact N-O 3.26Å; F182-K185 PolarHBondContact O-N 3.42Å; F182-K185 VanDerWaalsContact O-O 3.08Å
186T90.5Very high88.4Confident91 Ų9173 Ų7356%0.55838%0.375SS*.EExtended strand (participates in β ladder)trans-78.4124.8170.844.60000109.6K180 E181K180-T186 WeakPolarHBondContact O-CA 3.47Å; E181-T186 HydrophobicContact CG-CG2 4.12Å
187I92.9Very high88.5Confident2 Ų269.8 Ų69.81%0.0136%0.359CS..  trans-92.8143.7177.258.5160.5000110.5I120 G121 L123 L135 L177 S179 K180 F182I120-I187 HydrophobicContact CG2-CB 4.27Å; I120-I187 HydrophobicContact CG2-CD1 4.2Å; G121-I187 WeakPolarHBondContact O-CA 3.46Å; L123-I187 HydrophobicContact CD2-CG2 3.75Å; L135-I187 HydrophobicContact CD2-CD1 3.84Å; L177-I187 HydrophobicContact CB-CD1 4.09Å; L177-I187 WeakPolarHBondContact O-CG1 3.26Å; S179-I187 WeakPolarHBondContact CA-O 3.15Å; S179-I187 PolarHBondContact N-O 2.92Å; K180-I187 HydrophobicContact CB-CD1 4.37Å; K180-I187 HydrophobicContact CB-CG1 4.11Å; K180-I187 VanDerWaalsContact O-CG1 3.25Å; K180-I187 WeakPolarHBondContact O-CG1 3.32Å; K180-I187 PolarHBondContact O-N 2.97Å; F182-I187 HydrophobicContact CB-CD1 4.41Å; F182-I187 HydrophobicContact CB-CG1 4.34Å; F182-I187 HydrophobicContact CB-CG2 3.73Å; F182-I187 HydrophobicContact CD1-CG2 4.5Å
188R91Very high88.7Confident147 Ų14769.8 Ų69.856%0.55536%0.359SS*.EExtended strand (participates in β ladder)trans-108.1112.9175.2-177.6178.5174.9175.4-1.3108.7I120 G121I120-R188 CarbonylContact C-O 3.58Å; I120-R188 WeakPolarHBondContact CA-O 3.42Å; G121-R188 PolarHBondContact N-O 2.83Å; G121-R188 PolarHBondContact O-N 2.87Å
189C92.5Very high89Confident1 Ų168 Ų681%0.00735%0.35CS..EExtended strand (participates in β ladder)trans-99.2131.9173-1640000109.9F119 L177 H178F119-C189 CarbonylContact O-C 3.59Å; F119-C189 WeakPolarHBondContact O-CA 3.35Å; L177-C189 HydrophobicContact CB-CB 3.88Å; H178-C189 HydrophobicContact CB-CB 4.29Å; H178-C189 PolarHBondContact ND1-O 3.34Å
190S91Very high89.4Confident36 Ų3664 Ų6425%0.25232%0.322SS..EExtended strand (participates in β ladder)trans-147.8164.3174.754.80000111V118 F119 S192V118-S190 CarbonylContact C-O 3.6Å; V118-S190 WeakPolarHBondContact CA-O 3.33Å; F119-S190 PolarHBondContact N-O 2.62Å; F119-S190 PolarHBondContact O-N 3.36Å; S190-S192 PolarHBondContact O-N 3.09Å
191L89.8Confident89.6Confident85 Ų8560.6 Ų60.645%0.44531%0.309SS..EExtended strand (participates in β ladder)trans-62.1135.7173.3-74.7170.5000109.7I174I174-L191 HydrophobicContact CD1-CB 4.14Å; I174-L191 HydrophobicContact CD1-CD2 3.52Å; I174-L191 HydrophobicContact CD1-CG 3.41Å; I174-L191 VanDerWaalsContact CD1-CG 3.41Å; I174-L191 VanDerWaalsContact CD1-N 3.3Å
192S86Confident89.8Confident13 Ų1357 Ų579%0.09130%0.295CS..  trans-73.3134.8174.7-174.50000110.5E117 F161 S190 T194E117-S192 VanDerWaalsContact O-CB 3.26Å; E117-S192 WeakPolarHBondContact O-CB 3.32Å; E117-S192 PolarHBondContact O-N 3.16Å; E117-S192 VanDerWaalsContact OE1-CB 3.29Å; E117-S192 WeakPolarHBondContact OE1-CB 3.34Å; E117-S192 PolarHBondContact OE1-OG 2.85Å; F161-S192 VanDerWaalsContact CD1-OG 3.29Å; F161-S192 WeakPolarHBondContact CD1-OG 3.43Å; F161-S192 WeakPolarHBondContact CE1-OG 3.35Å; S190-S192 PolarHBondContact O-N 3.09Å; S192-T194 PolarHBondContact O-N 3.37Å; S192-T194 VanDerWaalsContact O-N 3.08Å
193E81.1Confident90Very high164 Ų16455.8 Ų55.877%0.76629%0.289SS*.  trans-82.779.8175.6-63.5-164.9177.900110.6
194T82.2Confident90.3Very high33 Ų3351.9 Ų51.920%0.20227%0.273CS..  trans-86135.5176.559.90000111.4E117 S192 N196E117-T194 HydrophobicContact CB-CG2 4.39Å; S192-T194 PolarHBondContact O-N 3.37Å; S192-T194 VanDerWaalsContact O-N 3.08Å; T194-N196 PolarHBondContact O-N 3.31Å; T194-N196 PolarHBondContact O-OD1 3.23Å
195K88.4Confident90.5Very high128 Ų12853.4 Ų53.456%0.55726%0.258SS*.  trans-75.6108.6175.7-60.3176.9-178.2169.60110N249 W275K195-N249 WeakPolarHBondContact O-CB 3.11Å; K195-N249 PolarHBondContact O-ND2 2.99Å; K195-W275 HydrophobicContact CB-CD2 3.74Å; K195-W275 HydrophobicContact CB-CE3 3.5Å; K195-W275 HydrophobicContact CB-CG 4.34Å; K195-W275 HydrophobicContact CB-CH2 4.18Å; K195-W275 HydrophobicContact CB-CZ2 4.4Å; K195-W275 HydrophobicContact CB-CZ3 3.73Å; K195-W275 HydrophobicContact CD-CB 4.27Å; K195-W275 HydrophobicContact CD-CD2 3.97Å; K195-W275 HydrophobicContact CD-CG 3.78Å; K195-W275 HydrophobicContact CG-CD2 4.4Å; K195-W275 WeakPolarHBondContact O-CH2 3.31Å; K195-W275 WeakPolarHBondContact O-CZ3 3.35Å
196N91.1Very high90.6Very high25 Ų2553.5 Ų53.513%0.13426%0.263CS..  trans-131.15.3-178.466.7-38.9000113.2H114 T194 L245 Y246H114-N196 HydrophobicContact CB-CB 3.94Å; H114-N196 VanDerWaalsContact CB-ND2 3.26Å; H114-N196 WeakPolarHBondContact CB-ND2 3.14Å; H114-N196 PolarHBondContact CD2-ND2 2.84Å; H114-N196 PolarHBondContact ND1-ND2 2.75Å; T194-N196 PolarHBondContact O-N 3.31Å; T194-N196 PolarHBondContact O-OD1 3.23Å; N196-L245 WeakPolarHBondContact ND2-CD1 3.42Å; N196-Y246 PolarHBondContact O-N 3.49Å
197R93.1Very high90.5Very high32 Ų3250.3 Ų50.312%0.12124%0.241CC..EExtended strand (participates in β ladder)trans-120.2128.4-179.5-167.1-178.8-175.2-143.41.2109.8E227 F243 V244 L245 A276R197-E227 IonicContact NH2-OE2 3.5Å; R197-E227 PolarHBondContact NH2-OE2 3.17Å; R197-F243 HydrophobicContact CG-CB 4.49Å; R197-F243 VanDerWaalsContact NH2-CB 3.3Å; R197-F243 VanDerWaalsContact NH2-CG 3.26Å; R197-V244 CarbonylContact C-O 3.54Å; R197-V244 VanDerWaalsContact CA-O 3.3Å; R197-V244 WeakPolarHBondContact CA-O 3.41Å; R197-L245 HydrophobicContact CB-CD1 4.19Å; R197-L245 HydrophobicContact CG-CD1 4.48Å; R197-A276 HydrophobicContact CB-CB 4.05Å; R197-A276 HydrophobicContact CG-CB 3.79Å; R197-A276 WeakPolarHBondContact O-CB 3.45Å; R197-A276 PolarHBondContact O-N 3.25Å
198L94.9Very high90.4Very high0 Ų053.5 Ų53.50%026%0.261CS..EExtended strand (participates in β ladder)trans-102.1142.7175.9-59.3-175.8000110.8I200 F243 V244 Y246 A252 R256 M259 V273 T274 W275L198-I200 HydrophobicContact CB-CG1 4.37Å; L198-F243 CarbonylContact O-C 3.56Å; L198-F243 VanDerWaalsContact O-CA 3.25Å; L198-F243 WeakPolarHBondContact O-CA 3.37Å; L198-V244 PolarHBondContact N-O 2.96Å; L198-V244 PolarHBondContact O-N 3.12Å; L198-Y246 HydrophobicContact CB-CE2 4.44Å; L198-Y246 HydrophobicContact CD1-CD2 4.36Å; L198-Y246 HydrophobicContact CD1-CE2 3.58Å; L198-Y246 HydrophobicContact CG-CD2 4.27Å; L198-Y246 HydrophobicContact CG-CE2 3.87Å; L198-A252 WeakPolarHBondContact CD1-O 3.37Å; L198-R256 HydrophobicContact CD1-CB 3.81Å; L198-R256 HydrophobicContact CD2-CB 3.86Å; L198-R256 HydrophobicContact CD2-CG 4.29Å; L198-M259 HydrophobicContact CD1-CE 4.26Å; L198-V273 HydrophobicContact CD1-CG1 4.1Å; L198-T274 WeakPolarHBondContact CA-O 3.18Å; L198-W275 HydrophobicContact CD2-CD2 4.1Å; L198-W275 HydrophobicContact CD2-CE3 3.47Å; L198-W275 VanDerWaalsContact CD2-CE3 3.47Å; L198-W275 HydrophobicContact CD2-CH2 4.24Å; L198-W275 HydrophobicContact CD2-CZ3 3.57Å
199F95.4Very high90.4Very high54 Ų5450.2 Ų50.224%0.23725%0.252CS..EExtended strand (participates in β ladder)trans-94.3128160.1169.2-90.4000108F241 F243 V273 T274 A276F199-F241 HydrophobicContact CD2-CD2 4.14Å; F199-F241 HydrophobicContact CE2-CB 3.64Å; F199-F241 AromaticContact CE2-CD2 3.48Å; F199-F241 HydrophobicContact CE2-CD2 3.48Å; F199-F241 VanDerWaalsContact CE2-CD2 3.48Å; F199-F241 HydrophobicContact CE2-CE2 4.23Å; F199-F241 AromaticContact CE2-CG 3.69Å; F199-F241 HydrophobicContact CE2-CG 3.69Å; F199-F241 HydrophobicContact CZ-CB 3.74Å; F199-F241 HydrophobicContact CZ-CD2 4.38Å; F199-F241 HydrophobicContact CZ-CG 4.15Å; F199-F243 HydrophobicContact CB-CD1 4.27Å; F199-F243 HydrophobicContact CB-CE1 4.21Å; F199-F243 HydrophobicContact CD2-CD1 4.27Å; F199-F243 AromaticContact CD2-CE1 3.74Å; F199-F243 HydrophobicContact CD2-CE1 3.74Å; F199-F243 HydrophobicContact CD2-CZ 4.07Å; F199-F243 HydrophobicContact CG-CE1 4.47Å; F199-V273 WeakPolarHBondContact O-CA 2.96Å; F199-T274 PolarHBondContact N-O 3.44Å; F199-T274 PolarHBondContact O-N 3.46Å; F199-A276 HydrophobicContact CB-CB 4.26Å
200I94.7Very high90.3Very high0 Ų055.2 Ų55.20%028%0.278CS..EExtended strand (participates in β ladder)trans-122.4109.2177.1-58173.9000107.7L198 I203 F212 I216 F241 A242 V244 M259 L266 P271 T272 V273L198-I200 HydrophobicContact CB-CG1 4.37Å; I200-I203 HydrophobicContact CB-CD1 4.45Å; I200-I203 HydrophobicContact CG2-CD1 4.2Å; I200-I203 HydrophobicContact CG2-CG1 4.1Å; I200-I203 WeakPolarHBondContact O-CD1 3.38Å; I200-F212 HydrophobicContact CB-CZ 4.05Å; I200-F212 HydrophobicContact CD1-CZ 3.82Å; I200-F212 HydrophobicContact CG2-CE2 4.12Å; I200-F212 HydrophobicContact CG2-CZ 3.92Å; I200-I216 HydrophobicContact CD1-CD1 3.64Å; I200-I216 HydrophobicContact CD1-CG1 4.46Å; I200-F241 CarbonylContact O-C 3.16Å; I200-F241 WeakPolarHBondContact O-CA 3.2Å; I200-F241 WeakPolarHBondContact O-CB 3.3Å; I200-A242 PolarHBondContact N-O 2.92Å; I200-A242 PolarHBondContact O-N 3.17Å; I200-V244 HydrophobicContact CD1-CB 4.37Å; I200-V244 HydrophobicContact CD1-CG2 3.64Å; I200-M259 HydrophobicContact CD1-CE 3.9Å; I200-M259 HydrophobicContact CD1-SD 3.51Å; I200-M259 VanDerWaalsContact CD1-SD 3.51Å; I200-M259 HydrophobicContact CG1-SD 4.29Å; I200-L266 HydrophobicContact CG2-CD1 4.49Å; I200-P271 HydrophobicContact CG2-CB 4.14Å; I200-T272 CarbonylContact C-O 3.51Å; I200-T272 WeakPolarHBondContact CA-O 3.12Å; I200-V273 HydrophobicContact CG1-CG1 4.31Å; I200-V273 HydrophobicContact CG1-CG2 4.27Å; I200-V273 HydrophobicContact CG2-CG2 4.34Å
201G93.4Very high90.3Very high5 Ų557.9 Ų57.95%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-101.5173.8176.500000113I203 G240 P271 T272G201-I203 VanDerWaalsContact C-N 3.26Å; G201-I203 PolarHBondContact O-N 3.32Å; G201-G240 CarbonylContact C-O 3.52Å; G201-P271 WeakPolarHBondContact O-CA 3.46Å; G201-T272 PolarHBondContact N-O 2.89Å; G201-T272 PolarHBondContact O-N 2.99Å
202N92.5Very high90.5Very high82 Ų8253.9 Ų53.944%0.43927%0.266SS..  trans62.830.9-178.2-153.233.2000113.8G240 A270N202-G240 PolarHBondContact N-O 3.45Å; N202-A270 PolarHBondContact ND2-O 3.32Å
203I92.6Very high90.8Very high5 Ų556.2 Ų56.23%0.02627%0.273CS..  trans-72.4136.5174.6-55.7176000109I200 G201 K205 W207 F212 L228 G240 A242 L266I200-I203 HydrophobicContact CB-CD1 4.45Å; I200-I203 HydrophobicContact CG2-CD1 4.2Å; I200-I203 HydrophobicContact CG2-CG1 4.1Å; I200-I203 WeakPolarHBondContact O-CD1 3.38Å; G201-I203 VanDerWaalsContact C-N 3.26Å; G201-I203 PolarHBondContact O-N 3.32Å; I203-K205 PolarHBondContact O-N 3.46Å; I203-W207 HydrophobicContact CG2-CB 4.36Å; I203-W207 HydrophobicContact CG2-CE3 4.08Å; I203-F212 HydrophobicContact CD1-CD1 4.47Å; I203-F212 HydrophobicContact CD1-CD2 3.99Å; I203-F212 HydrophobicContact CD1-CE1 4.02Å; I203-F212 HydrophobicContact CD1-CE2 3.47Å; I203-F212 VanDerWaalsContact CD1-CE2 3.47Å; I203-F212 HydrophobicContact CD1-CG 4.46Å; I203-F212 HydrophobicContact CD1-CZ 3.49Å; I203-F212 VanDerWaalsContact CD1-CZ 3.49Å; I203-F212 HydrophobicContact CG1-CD2 4.4Å; I203-F212 HydrophobicContact CG1-CE2 3.89Å; I203-F212 HydrophobicContact CG1-CZ 4.33Å; I203-F212 HydrophobicContact CG2-CD2 4.06Å; I203-F212 HydrophobicContact CG2-CE2 4.4Å; I203-L228 HydrophobicContact CD1-CD1 3.98Å; I203-L228 HydrophobicContact CG2-CD1 4.42Å; I203-G240 PolarHBondContact N-O 3.34Å; I203-G240 WeakPolarHBondContact O-CA 2.94Å; I203-A242 HydrophobicContact CD1-CB 3.45Å; I203-A242 VanDerWaalsContact CD1-CB 3.45Å; I203-L266 HydrophobicContact CG1-CD1 4.14Å
204P90.7Very high91.3Very high8 Ų855.7 Ų55.75%0.05227%0.268CS..  trans-56.2129.1174.9-24.834.5000111.9N206 W207 N238 L266 E267P204-N206 WeakPolarHBondContact CB-OD1 3.3Å; P204-N206 PolarHBondContact O-N 3.27Å; P204-N206 VanDerWaalsContact O-N 3.14Å; P204-W207 HydrophobicContact CB-CD2 4.19Å; P204-W207 HydrophobicContact CB-CG 3.92Å; P204-W207 HydrophobicContact CG-CD2 3.94Å; P204-W207 HydrophobicContact CG-CG 4.22Å; P204-W207 HydrophobicContact CG-CZ2 4.1Å; P204-W207 WeakPolarHBondContact O-CB 3.48Å; P204-W207 PolarHBondContact O-N 2.83Å; P204-N238 PolarHBondContact O-ND2 3.28Å; P204-N238 PolarHBondContact O-OD1 3.12Å; P204-L266 HydrophobicContact CG-CB 4.24Å; P204-E267 HydrophobicContact CG-CB 3.99Å
205K89.6Confident91.8Very high109 Ų10956.2 Ų56.247%0.47427%0.271SS..THydrogen-bonded Turntrans-67.7-16.3-171.3-65.5-174.7-179.4-176.70115.2I203 R237 N238I203-K205 PolarHBondContact O-N 3.46Å; K205-R237 WeakPolarHBondContact O-CA 3.11Å; K205-R237 WeakPolarHBondContact O-CB 3.48Å; K205-N238 WeakPolarHBondContact CA-OD1 3.5Å; K205-N238 PolarHBondContact O-N 3.42Å
206N89.4Confident92Very high104 Ų10450.1 Ų50.156%0.55624%0.244SC*.THydrogen-bonded Turntrans-83.3-16.2175.855.6-30.9000112.9P204P204-N206 WeakPolarHBondContact CB-OD1 3.3Å; P204-N206 PolarHBondContact O-N 3.27Å; P204-N206 VanDerWaalsContact O-N 3.14Å
207W89Confident92.1Very high23 Ų2353.2 Ų53.29%0.08726%0.258CS..  trans-71137.2-177.3-75.411.7000112.6I203 P204 E211 F212 V215 N238 L266 E267I203-W207 HydrophobicContact CG2-CB 4.36Å; I203-W207 HydrophobicContact CG2-CE3 4.08Å; P204-W207 HydrophobicContact CB-CD2 4.19Å; P204-W207 HydrophobicContact CB-CG 3.92Å; P204-W207 HydrophobicContact CG-CD2 3.94Å; P204-W207 HydrophobicContact CG-CG 4.22Å; P204-W207 HydrophobicContact CG-CZ2 4.1Å; P204-W207 WeakPolarHBondContact O-CB 3.48Å; P204-W207 PolarHBondContact O-N 2.83Å; W207-E211 WeakPolarHBondContact CA-OE2 3.38Å; W207-F212 HydrophobicContact CE3-CB 4.11Å; W207-F212 AromaticContact CE3-CD2 3.9Å; W207-F212 HydrophobicContact CE3-CD2 3.9Å; W207-F212 AromaticContact CZ3-CD2 3.96Å; W207-F212 HydrophobicContact CZ3-CD2 3.96Å; W207-V215 HydrophobicContact CH2-CB 4.47Å; W207-V215 HydrophobicContact CH2-CG1 4.46Å; W207-V215 HydrophobicContact CH2-CG2 3.84Å; W207-V215 HydrophobicContact CZ3-CB 4.3Å; W207-V215 HydrophobicContact CZ3-CG2 4Å; W207-N238 PolarHBondContact O-ND2 2.96Å; W207-L266 HydrophobicContact CH2-CB 3.82Å; W207-L266 HydrophobicContact CH2-CD2 3.75Å; W207-L266 HydrophobicContact CH2-CG 4.31Å; W207-L266 HydrophobicContact CZ2-CB 4.38Å; W207-L266 HydrophobicContact CZ3-CB 4.19Å; W207-L266 HydrophobicContact CZ3-CD1 4.43Å; W207-L266 HydrophobicContact CZ3-CD2 3.78Å; W207-L266 HydrophobicContact CZ3-CG 4.35Å; W207-E267 HydrophobicContact CZ2-CB 4.26Å; W207-E267 HydrophobicContact CZ2-CG 3.9Å; W207-E267 PolarHBondContact NE1-OE1 2.79Å
208T90.1Very high91.9Very high69 Ų6956.1 Ų56.142%0.42328%0.276SS..  trans-82.1165168.459.20000111D210 E211 F212T208-D210 PolarHBondContact O-N 3.28Å; T208-E211 PolarHBondContact N-OE2 3.44Å; T208-E211 PolarHBondContact O-N 2.95Å; T208-E211 VanDerWaalsContact OG1-CD 3.29Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 3.33Å; T208-E211 PolarHBondContact OG1-N 3.11Å; T208-E211 PolarHBondContact OG1-OE2 3.41Å; T208-F212 WeakPolarHBondContact O-CB 3.42Å; T208-F212 PolarHBondContact O-N 2.96Å; T208-F212 VanDerWaalsContact O-N 3.08Å
209E90Very high91.7Very high79 Ų7956.7 Ų56.737%0.36928%0.279SS..Hα-helixtrans-60.5-38.7174.6-170.5-176.6142.600111.1F212 R213 I226 L228E209-F212 PolarHBondContact O-N 3.15Å; E209-R213 WeakPolarHBondContact O-CB 3.26Å; E209-R213 PolarHBondContact O-N 3.31Å; E209-R213 IonicContact OE1-NH2 3.68Å; E209-I226 HydrophobicContact CG-CG2 4.18Å; E209-L228 HydrophobicContact CB-CB 4.47Å; E209-L228 HydrophobicContact CB-CD2 4.33Å; E209-L228 HydrophobicContact CG-CB 4.44Å
210D91.5Very high91.4Very high106 Ų10654.1 Ų54.157%0.56727%0.268SS*.Hα-helixtrans-67.1-41.6-179.6-59.3-40.4000112.7T208 R213 K214T208-D210 PolarHBondContact O-N 3.28Å; D210-R213 PolarHBondContact O-N 3.45Å; D210-K214 WeakPolarHBondContact O-CG 3.36Å; D210-K214 PolarHBondContact O-N 3.01Å; D210-K214 VanDerWaalsContact O-N 3.1Å
211E91.4Very high91.3Very high92 Ų9254.8 Ų54.843%0.4327%0.272SS..Hα-helixtrans-64.2-45.6174.8-73.4163.9148.300111W207 T208 R213 K214 V215W207-E211 WeakPolarHBondContact CA-OE2 3.38Å; T208-E211 PolarHBondContact N-OE2 3.44Å; T208-E211 PolarHBondContact O-N 2.95Å; T208-E211 VanDerWaalsContact OG1-CD 3.29Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 3.33Å; T208-E211 PolarHBondContact OG1-N 3.11Å; T208-E211 PolarHBondContact OG1-OE2 3.41Å; E211-R213 VanDerWaalsContact C-N 3.35Å; E211-K214 PolarHBondContact O-N 3.2Å; E211-V215 PolarHBondContact O-N 2.99Å
212F92.6Very high91.2Very high0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-63.9-42177.5-177-115.1000111.5I200 I203 W207 T208 E209 K214 V215 I216 I226 A242 V244 L266I200-F212 HydrophobicContact CB-CZ 4.05Å; I200-F212 HydrophobicContact CD1-CZ 3.82Å; I200-F212 HydrophobicContact CG2-CE2 4.12Å; I200-F212 HydrophobicContact CG2-CZ 3.92Å; I203-F212 HydrophobicContact CD1-CD1 4.47Å; I203-F212 HydrophobicContact CD1-CD2 3.99Å; I203-F212 HydrophobicContact CD1-CE1 4.02Å; I203-F212 HydrophobicContact CD1-CE2 3.47Å; I203-F212 VanDerWaalsContact CD1-CE2 3.47Å; I203-F212 HydrophobicContact CD1-CG 4.46Å; I203-F212 HydrophobicContact CD1-CZ 3.49Å; I203-F212 VanDerWaalsContact CD1-CZ 3.49Å; I203-F212 HydrophobicContact CG1-CD2 4.4Å; I203-F212 HydrophobicContact CG1-CE2 3.89Å; I203-F212 HydrophobicContact CG1-CZ 4.33Å; I203-F212 HydrophobicContact CG2-CD2 4.06Å; I203-F212 HydrophobicContact CG2-CE2 4.4Å; W207-F212 HydrophobicContact CE3-CB 4.11Å; W207-F212 AromaticContact CE3-CD2 3.9Å; W207-F212 HydrophobicContact CE3-CD2 3.9Å; W207-F212 AromaticContact CZ3-CD2 3.96Å; W207-F212 HydrophobicContact CZ3-CD2 3.96Å; T208-F212 WeakPolarHBondContact O-CB 3.42Å; T208-F212 PolarHBondContact O-N 2.96Å; T208-F212 VanDerWaalsContact O-N 3.08Å; E209-F212 PolarHBondContact O-N 3.15Å; F212-K214 PolarHBondContact O-N 2.97Å; F212-V215 PolarHBondContact O-N 3.2Å; F212-I216 HydrophobicContact CD1-CG1 4.21Å; F212-I216 HydrophobicContact CD2-CD1 4.49Å; F212-I216 HydrophobicContact CD2-CG1 4.12Å; F212-I216 HydrophobicContact CE1-CD1 4.42Å; F212-I216 HydrophobicContact CE1-CG1 3.81Å; F212-I216 HydrophobicContact CE2-CD1 3.72Å; F212-I216 HydrophobicContact CE2-CG1 3.72Å; F212-I216 HydrophobicContact CG-CG1 4.36Å; F212-I216 HydrophobicContact CZ-CD1 3.68Å; F212-I216 HydrophobicContact CZ-CG1 3.55Å; F212-I216 WeakPolarHBondContact O-CG1 3.43Å; F212-I216 PolarHBondContact O-N 3.17Å; F212-I226 HydrophobicContact CD1-CG2 3.64Å; F212-I226 HydrophobicContact CE1-CG2 3.88Å; F212-A242 HydrophobicContact CD1-CB 4.1Å; F212-A242 HydrophobicContact CE1-CB 3.43Å; F212-A242 VanDerWaalsContact CE1-CB 3.43Å; F212-A242 HydrophobicContact CZ-CB 3.92Å; F212-V244 HydrophobicContact CE1-CG2 3.92Å; F212-V244 HydrophobicContact CZ-CG2 4.32Å; F212-L266 HydrophobicContact CE2-CD1 4.26Å
213R93.8Very high91.3Very high63 Ų6352.7 Ų52.724%0.23827%0.265CS..Hα-helixtrans-54.6-51.8176.2175.6179.8-67.6-80.1-0.1112.1E209 D210 E211 V215 I216 E217 I226E209-R213 WeakPolarHBondContact O-CB 3.26Å; E209-R213 PolarHBondContact O-N 3.31Å; E209-R213 IonicContact OE1-NH2 3.68Å; D210-R213 PolarHBondContact O-N 3.45Å; E211-R213 VanDerWaalsContact C-N 3.35Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 PolarHBondContact O-N 3.1Å; R213-I216 PolarHBondContact O-N 3.19Å; R213-I216 VanDerWaalsContact O-N 3.14Å; R213-E217 WeakPolarHBondContact CD-OE1 2.86Å; R213-E217 VanDerWaalsContact CG-CD 3.43Å; R213-E217 HydrophobicContact CG-CG 4.19Å; R213-E217 WeakPolarHBondContact CG-OE1 3.48Å; R213-E217 IonicContact NH1-OE1 2.94Å; R213-E217 PolarHBondContact NH1-OE1 3.1Å; R213-E217 VanDerWaalsContact NH1-OE1 3.1Å; R213-E217 WeakPolarHBondContact O-CB 3.44Å; R213-E217 WeakPolarHBondContact O-CG 3.5Å; R213-E217 PolarHBondContact O-N 3.2Å; R213-I226 VanDerWaalsContact CA-CD1 3.49Å; R213-I226 HydrophobicContact CB-CD1 3.67Å; R213-I226 HydrophobicContact CG-CD1 3.89Å
214K91.8Very high91.2Very high153 Ų15356.3 Ų56.367%0.66528%0.282SS*.Hα-helixtrans-56.1-41.1-179.9-73.9176.5-178.8-1760112.4D210 E211 F212 D218D210-K214 WeakPolarHBondContact O-CG 3.36Å; D210-K214 PolarHBondContact O-N 3.01Å; D210-K214 VanDerWaalsContact O-N 3.1Å; E211-K214 PolarHBondContact O-N 3.2Å; F212-K214 PolarHBondContact O-N 2.97Å; K214-D218 WeakPolarHBondContact O-CB 3.22Å; K214-D218 PolarHBondContact O-N 3.27Å
215V92.3Very high91.2Very high43 Ų4360 Ų6026%0.26130%0.301SS..Hα-helixtrans-69.2-41.9179.4175.70000111.3W207 E211 F212 R213 D218 V219 F264 L266W207-V215 HydrophobicContact CH2-CB 4.47Å; W207-V215 HydrophobicContact CH2-CG1 4.46Å; W207-V215 HydrophobicContact CH2-CG2 3.84Å; W207-V215 HydrophobicContact CZ3-CB 4.3Å; W207-V215 HydrophobicContact CZ3-CG2 4Å; E211-V215 PolarHBondContact O-N 2.99Å; F212-V215 PolarHBondContact O-N 3.2Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 PolarHBondContact O-N 3.1Å; V215-D218 PolarHBondContact O-N 3.04Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.46Å; V215-V219 PolarHBondContact O-N 2.82Å; V215-F264 HydrophobicContact CG1-CE2 4.06Å; V215-F264 HydrophobicContact CG1-CZ 3.76Å; V215-L266 HydrophobicContact CG1-CD2 3.76Å
216I92.5Very high91.4Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-71.8-38.8-178.4-61.8-61.2000111.9I200 F212 R213 D218 V219 G220 V223 V244 Y246 M259I200-I216 HydrophobicContact CD1-CD1 3.64Å; I200-I216 HydrophobicContact CD1-CG1 4.46Å; F212-I216 HydrophobicContact CD1-CG1 4.21Å; F212-I216 HydrophobicContact CD2-CD1 4.49Å; F212-I216 HydrophobicContact CD2-CG1 4.12Å; F212-I216 HydrophobicContact CE1-CD1 4.42Å; F212-I216 HydrophobicContact CE1-CG1 3.81Å; F212-I216 HydrophobicContact CE2-CD1 3.72Å; F212-I216 HydrophobicContact CE2-CG1 3.72Å; F212-I216 HydrophobicContact CG-CG1 4.36Å; F212-I216 HydrophobicContact CZ-CD1 3.68Å; F212-I216 HydrophobicContact CZ-CG1 3.55Å; F212-I216 WeakPolarHBondContact O-CG1 3.43Å; F212-I216 PolarHBondContact O-N 3.17Å; R213-I216 PolarHBondContact O-N 3.19Å; R213-I216 VanDerWaalsContact O-N 3.14Å; I216-D218 VanDerWaalsContact C-N 3.28Å; I216-D218 PolarHBondContact O-N 3.44Å; I216-V219 PolarHBondContact O-N 3.24Å; I216-G220 PolarHBondContact O-N 2.9Å; I216-V223 HydrophobicContact CG2-CG2 3.79Å; I216-V244 HydrophobicContact CG2-CG1 4.07Å; I216-V244 HydrophobicContact CG2-CG2 4.44Å; I216-Y246 VanDerWaalsContact CG2-OH 3.3Å; I216-Y246 WeakPolarHBondContact CG2-OH 3.2Å; I216-M259 HydrophobicContact CD1-CE 3.79Å; I216-M259 HydrophobicContact CD1-SD 3.48Å; I216-M259 WeakPolarHBondContact CD1-SD 3.36Å; I216-M259 HydrophobicContact CG2-CE 4.19Å
217E91.8Very high91.5Very high90 Ų9053 Ų5342%0.42127%0.267SS..Hα-helixtrans-66.9-28175.8-72.4173.5-176.200112.6R213 V223R213-E217 WeakPolarHBondContact CD-OE1 2.86Å; R213-E217 VanDerWaalsContact CG-CD 3.43Å; R213-E217 HydrophobicContact CG-CG 4.19Å; R213-E217 WeakPolarHBondContact CG-OE1 3.48Å; R213-E217 IonicContact NH1-OE1 2.94Å; R213-E217 PolarHBondContact NH1-OE1 3.1Å; R213-E217 VanDerWaalsContact NH1-OE1 3.1Å; R213-E217 WeakPolarHBondContact O-CB 3.44Å; R213-E217 WeakPolarHBondContact O-CG 3.5Å; R213-E217 PolarHBondContact O-N 3.2Å; E217-V223 HydrophobicContact CG-CB 4.17Å; E217-V223 HydrophobicContact CG-CG2 4.14Å
218D89.7Confident91.7Very high94 Ų9452.9 Ų52.950%0.50327%0.268SS..Hα-helixtrans-73.1-32.8173.4-169.757.3000112.3K214 V215 I216K214-D218 WeakPolarHBondContact O-CB 3.22Å; K214-D218 PolarHBondContact O-N 3.27Å; V215-D218 PolarHBondContact O-N 3.04Å; I216-D218 VanDerWaalsContact C-N 3.28Å; I216-D218 PolarHBondContact O-N 3.44Å
219V90.7Very high91.8Very high11 Ų1151.9 Ų51.97%0.06726%0.26CS..Hα-helixtrans-68.3-41.8179.7171.90000112.2Y105 V215 I216 K258 M259 F264Y105-V219 PolarHBondContact OH-O 3.38Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.46Å; V215-V219 PolarHBondContact O-N 2.82Å; I216-V219 PolarHBondContact O-N 3.24Å; V219-K258 HydrophobicContact CG1-CB 3.61Å; V219-K258 HydrophobicContact CG1-CD 4.31Å; V219-K258 VanDerWaalsContact O-CD 3.32Å; V219-K258 WeakPolarHBondContact O-CD 3.35Å; V219-M259 HydrophobicContact CG1-CE 4.24Å; V219-M259 HydrophobicContact CG1-CG 3.84Å; V219-M259 HydrophobicContact CG2-CG 4.35Å; V219-F264 HydrophobicContact CG2-CD2 3.94Å; V219-F264 HydrophobicContact CG2-CE2 3.19Å; V219-F264 HydrophobicContact CG2-CZ 3.55Å
220G88.9Confident91.7Very high1 Ų154.3 Ų54.31%0.0127%0.269CS..  trans-166.5160-175.300000113.8I216I216-G220 PolarHBondContact O-N 2.9Å
221P92.6Very high91.5Very high13 Ų1350.2 Ų50.28%0.08425%0.247CC..SBendtrans-79.3168-174.434.7-38.3000112.2Y105 L108 L109 Y246 C251Y105-P221 HydrophobicContact CD1-CG 3.91Å; Y105-P221 HydrophobicContact CD2-CB 4.35Å; Y105-P221 HydrophobicContact CD2-CG 4.46Å; Y105-P221 HydrophobicContact CG-CB 4.13Å; Y105-P221 HydrophobicContact CG-CG 3.85Å; L108-P221 HydrophobicContact CB-CG 4.3Å; L108-P221 HydrophobicContact CD1-CG 4.15Å; L109-P221 HydrophobicContact CD1-CB 3.89Å; L109-P221 HydrophobicContact CD2-CB 4.08Å; L109-P221 HydrophobicContact CG-CB 3.88Å; L109-P221 HydrophobicContact CG-CG 4.41Å; P221-Y246 WeakPolarHBondContact O-CD1 3.43Å; P221-C251 WeakPolarHBondContact O-CB 3.36Å
222G91.8Very high91.2Very high18 Ų1851.3 Ų51.319%0.18626%0.262CS..  trans80.623.2164.500000115E224 Y246 Y247G222-E224 PolarHBondContact O-N 3.5Å; G222-Y246 CarbonylContact O-C 3.6Å; G222-Y246 WeakPolarHBondContact O-CA 3.22Å; G222-Y247 WeakPolarHBondContact O-CB 3.48Å; G222-Y247 PolarHBondContact O-N 3.5Å
223V94.4Very high90.9Very high25 Ų2557.4 Ų57.415%0.15230%0.3CS..EExtended strand (participates in β ladder)trans-70.3119.7172.4-177.60000109.8I216 E217 I226 V244 Y246I216-V223 HydrophobicContact CG2-CG2 3.79Å; E217-V223 HydrophobicContact CG-CB 4.17Å; E217-V223 HydrophobicContact CG-CG2 4.14Å; V223-I226 HydrophobicContact CG1-CD1 3.87Å; V223-I226 HydrophobicContact CG1-CG1 3.69Å; V223-V244 HydrophobicContact CG1-CG1 3.82Å; V223-V244 HydrophobicContact CG2-CG1 4.46Å; V223-Y246 HydrophobicContact CG2-CD1 4.24Å; V223-Y246 HydrophobicContact CG2-CE1 3.64Å
224E90.7Very high90.3Very high81 Ų8157.2 Ų57.238%0.37930%0.303SS..EExtended strand (participates in β ladder)trans-101.7-43.6179.6-71.7-176.6154.100112.7H114 G222 L245 Y247H114-E224 IonicContact CE1-OE1 3.54Å; H114-E224 IonicContact CE1-OE2 2.85Å; H114-E224 PolarHBondContact CE1-OE2 3.24Å; H114-E224 IonicContact ND1-OE1 3.59Å; H114-E224 IonicContact ND1-OE2 2.78Å; G222-E224 PolarHBondContact O-N 3.5Å; E224-L245 PolarHBondContact N-O 3.23Å; E224-Y247 WeakPolarHBondContact OE1-CD2 3.23Å
225N91.7Very high89.8Confident86 Ų8654.8 Ų54.846%0.4630%0.302SS..EExtended strand (participates in β ladder)trans-144.8136.3-176.6-169.32.6000111.3V244 L245N225-V244 CarbonylContact O-C 3.47Å; N225-V244 WeakPolarHBondContact O-CA 3.26Å; N225-L245 HydrophobicContact CB-CB 4Å; N225-L245 HydrophobicContact CB-CD2 4.31Å; N225-L245 PolarHBondContact N-O 2.83Å; N225-L245 PolarHBondContact O-N 2.94Å
226I93.1Very high89.3Confident3 Ų358.2 Ų58.22%0.01532%0.323CS..EExtended strand (participates in β ladder)trans-121.1119.5177.3-62.9179.7000107.9E209 F212 R213 V223 F243 V244E209-I226 HydrophobicContact CG-CG2 4.18Å; F212-I226 HydrophobicContact CD1-CG2 3.64Å; F212-I226 HydrophobicContact CE1-CG2 3.88Å; R213-I226 VanDerWaalsContact CA-CD1 3.49Å; R213-I226 HydrophobicContact CB-CD1 3.67Å; R213-I226 HydrophobicContact CG-CD1 3.89Å; V223-I226 HydrophobicContact CG1-CD1 3.87Å; V223-I226 HydrophobicContact CG1-CG1 3.69Å; I226-F243 CarbonylContact C-O 3.52Å; I226-F243 WeakPolarHBondContact CA-O 3.49Å; I226-V244 HydrophobicContact CG1-CG1 4.26Å; I226-V244 HydrophobicContact CG1-CG2 4.31Å
227E92Very high89Confident64 Ų6465.1 Ų65.130%0.29935%0.349SS..EExtended strand (participates in β ladder)trans-109.586.1177.3-169-179.8170.700109R197 I229 A242 F243 K279R197-E227 IonicContact NH2-OE2 3.5Å; R197-E227 PolarHBondContact NH2-OE2 3.17Å; E227-I229 HydrophobicContact CG-CD1 3.78Å; E227-I229 PolarHBondContact O-N 3.27Å; E227-A242 CarbonylContact O-C 3.54Å; E227-A242 VanDerWaalsContact O-CA 3.24Å; E227-A242 WeakPolarHBondContact O-CA 3.3Å; E227-F243 HydrophobicContact CB-CB 4.26Å; E227-F243 PolarHBondContact N-O 2.96Å; E227-F243 PolarHBondContact O-N 2.83Å; E227-K279 IonicContact OE1-NZ 2.86Å; E227-K279 IonicContact OE2-NZ 3.81Å; E227-K279 PolarHBondContact OE2-NZ 3.44Å
228L92.6Very high88.9Confident20 Ų2061 Ų6111%0.10533%0.33CS..EExtended strand (participates in β ladder)trans-80.5106.9175.5-177.664000110I203 E209 K230 N238 A242I203-L228 HydrophobicContact CD1-CD1 3.98Å; I203-L228 HydrophobicContact CG2-CD1 4.42Å; E209-L228 HydrophobicContact CB-CB 4.47Å; E209-L228 HydrophobicContact CB-CD2 4.33Å; E209-L228 HydrophobicContact CG-CB 4.44Å; L228-K230 PolarHBondContact O-N 3.45Å; L228-N238 HydrophobicContact CD1-CB 3.78Å; L228-N238 HydrophobicContact CD2-CB 3.91Å; L228-N238 HydrophobicContact CG-CB 3.76Å; L228-A242 HydrophobicContact CB-CB 4.39Å; L228-A242 HydrophobicContact CD1-CB 3.86Å
229I91.5Very high88.9Confident47 Ų4762.4 Ų62.424%0.24133%0.328CS..EExtended strand (participates in β ladder)trans-72.8127.4-175.4-57.5-56.9000109.9E227 N238 R239 F241 F243E227-I229 HydrophobicContact CG-CD1 3.78Å; E227-I229 PolarHBondContact O-N 3.27Å; I229-N238 CarbonylContact O-C 3.42Å; I229-N238 WeakPolarHBondContact O-CA 3.38Å; I229-R239 HydrophobicContact CB-CB 4.31Å; I229-R239 HydrophobicContact CG2-CB 4.05Å; I229-R239 HydrophobicContact CG2-CG 4.46Å; I229-R239 VanDerWaalsContact O-CB 3.25Å; I229-R239 WeakPolarHBondContact O-CB 3.42Å; I229-R239 PolarHBondContact O-N 2.9Å; I229-F241 HydrophobicContact CB-CD2 4.31Å; I229-F241 HydrophobicContact CB-CE1 4.45Å; I229-F241 HydrophobicContact CB-CE2 3.82Å; I229-F241 HydrophobicContact CB-CZ 3.89Å; I229-F241 HydrophobicContact CG1-CD2 4.01Å; I229-F241 HydrophobicContact CG1-CE2 3.41Å; I229-F241 VanDerWaalsContact CG1-CE2 3.41Å; I229-F241 HydrophobicContact CG1-CZ 3.9Å; I229-F241 HydrophobicContact CG2-CE1 4.42Å; I229-F241 HydrophobicContact CG2-CE2 4.28Å; I229-F241 HydrophobicContact CG2-CZ 3.87Å; I229-F241 PolarHBondContact N-O 3.02Å; I229-F243 HydrophobicContact CG1-CD2 4.33Å; I229-F243 HydrophobicContact CG1-CE2 4.2Å
230K89.5Confident89Confident130 Ų13062.3 Ų62.357%0.56533%0.329SS*.EExtended strand (participates in β ladder)trans-82.8150.5177.9-63.9-179.1-178.5-179.40111.6L228L228-K230 PolarHBondContact O-N 3.45Å
231D87.1Confident89.2Confident20 Ų2064.8 Ų64.811%0.10734%0.34CS..PPolyproline II helixtrans-68.6125.5175.6-166.2-56.8000109.5T233 N234 T235 R237 R239D231-T233 PolarHBondContact O-N 3.37Å; D231-T233 WeakPolarHBondContact OD1-CB 3.46Å; D231-T233 PolarHBondContact OD1-N 2.74Å; D231-T233 PolarHBondContact OD1-OG1 2.88Å; D231-N234 CarbonylContact O-C 3.6Å; D231-N234 PolarHBondContact O-N 3.33Å; D231-N234 VanDerWaalsContact O-N 3.14Å; D231-T235 PolarHBondContact O-N 2.89Å; D231-R237 PolarHBondContact N-O 3.21Å; D231-R239 IonicContact OD2-NH1 3.46Å
232P84.9Confident89.3Confident116 Ų11664.1 Ų64.175%0.75334%0.336SS*.SBendtrans-63.4-24.8-177.925.7-35.3000113
233T85.5Confident89.4Confident128 Ų12865.2 Ų65.279%0.78534%0.335SS*.SBendtrans-86.9-26178.164.60000112.6D231D231-T233 PolarHBondContact O-N 3.37Å; D231-T233 WeakPolarHBondContact OD1-CB 3.46Å; D231-T233 PolarHBondContact OD1-N 2.74Å; D231-T233 PolarHBondContact OD1-OG1 2.88Å
234N82Confident89.4Confident58 Ų5864 Ų6431%0.3133%0.328SS..  trans-144.592.3-178.7-170.1-6.6000110.8D231 T236 R237D231-N234 CarbonylContact O-C 3.6Å; D231-N234 PolarHBondContact O-N 3.33Å; D231-N234 VanDerWaalsContact O-N 3.14Å; N234-T236 PolarHBondContact ND2-OG1 2.94Å; N234-T236 PolarHBondContact O-N 2.98Å; N234-T236 WeakPolarHBondContact OD1-CB 3.35Å; N234-T236 PolarHBondContact OD1-N 3.46Å; N234-T236 PolarHBondContact OD1-OG1 2.94Å; N234-R237 PolarHBondContact O-N 3.48Å
235T81.5Confident89.5Confident103 Ų10362.1 Ų62.163%0.63232%0.32SS*.THydrogen-bonded Turntrans-60.7-13.4-179.1-162.80000114.3D231 R237D231-T235 PolarHBondContact O-N 2.89Å; T235-R237 VanDerWaalsContact C-N 3.26Å
236T81.1Confident89.6Confident115 Ų11558 Ų5871%0.70630%0.298SS*.THydrogen-bonded Turntrans-77.1-13.4174.666.80000113.3N234N234-T236 PolarHBondContact ND2-OG1 2.94Å; N234-T236 PolarHBondContact O-N 2.98Å; N234-T236 WeakPolarHBondContact OD1-CB 3.35Å; N234-T236 PolarHBondContact OD1-N 3.46Å; N234-T236 PolarHBondContact OD1-OG1 2.94Å
237R85.1Confident89.6Confident145 Ų14561.3 Ų61.355%0.54731%0.311SS..SBendtrans-118.1148.4-180-68-175175.7177.1-2.8110.2K205 D231 N234 T235K205-R237 WeakPolarHBondContact O-CA 3.11Å; K205-R237 WeakPolarHBondContact O-CB 3.48Å; D231-R237 PolarHBondContact N-O 3.21Å; N234-R237 PolarHBondContact O-N 3.48Å; T235-R237 VanDerWaalsContact C-N 3.26Å
238N90.1Very high89.6Confident4 Ų458.5 Ų58.52%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-76.5159.8167.773.551.9000110.6P204 K205 W207 L228 I229 G240P204-N238 PolarHBondContact O-ND2 3.28Å; P204-N238 PolarHBondContact O-OD1 3.12Å; K205-N238 WeakPolarHBondContact CA-OD1 3.5Å; K205-N238 PolarHBondContact O-N 3.42Å; W207-N238 PolarHBondContact O-ND2 2.96Å; L228-N238 HydrophobicContact CD1-CB 3.78Å; L228-N238 HydrophobicContact CD2-CB 3.91Å; L228-N238 HydrophobicContact CG-CB 3.76Å; I229-N238 CarbonylContact O-C 3.42Å; I229-N238 WeakPolarHBondContact O-CA 3.38Å; N238-G240 PolarHBondContact O-N 3.19Å; N238-G240 VanDerWaalsContact OD1-CA 3.3Å; N238-G240 WeakPolarHBondContact OD1-CA 3.3Å; N238-G240 PolarHBondContact OD1-N 3.1Å
239R90.4Very high89.6Confident122 Ų12260.9 Ų60.946%0.4631%0.311SS..EExtended strand (participates in β ladder)trans-76.4-7.7-179.9-172.357.9-177.4143.67112.3I229 D231 F241I229-R239 HydrophobicContact CB-CB 4.31Å; I229-R239 HydrophobicContact CG2-CB 4.05Å; I229-R239 HydrophobicContact CG2-CG 4.46Å; I229-R239 VanDerWaalsContact O-CB 3.25Å; I229-R239 WeakPolarHBondContact O-CB 3.42Å; I229-R239 PolarHBondContact O-N 2.9Å; D231-R239 IonicContact OD2-NH1 3.46Å; R239-F241 HydrophobicContact CB-CD1 4.09Å; R239-F241 HydrophobicContact CB-CE1 3.92Å; R239-F241 HydrophobicContact CG-CD1 3.77Å; R239-F241 HydrophobicContact CG-CE1 3.29Å; R239-F241 HydrophobicContact CG-CZ 4.23Å
240G91.7Very high89.7Confident9 Ų959.9 Ų59.99%0.09331%0.309CS..EExtended strand (participates in β ladder)trans91.214.1-177.300000114.3G201 N202 I203 N238G201-G240 CarbonylContact C-O 3.52Å; N202-G240 PolarHBondContact N-O 3.45Å; I203-G240 PolarHBondContact N-O 3.34Å; I203-G240 WeakPolarHBondContact O-CA 2.94Å; N238-G240 PolarHBondContact O-N 3.19Å; N238-G240 VanDerWaalsContact OD1-CA 3.3Å; N238-G240 WeakPolarHBondContact OD1-CA 3.3Å; N238-G240 PolarHBondContact OD1-N 3.1Å
241F93.8Very high89.9Confident53 Ų5353.7 Ų53.723%0.23228%0.283CS..EExtended strand (participates in β ladder)trans-149.8156173.470.8-92.4000112.2F199 I200 I229 R239 F243F199-F241 HydrophobicContact CD2-CD2 4.14Å; F199-F241 HydrophobicContact CE2-CB 3.64Å; F199-F241 AromaticContact CE2-CD2 3.48Å; F199-F241 HydrophobicContact CE2-CD2 3.48Å; F199-F241 VanDerWaalsContact CE2-CD2 3.48Å; F199-F241 HydrophobicContact CE2-CE2 4.23Å; F199-F241 AromaticContact CE2-CG 3.69Å; F199-F241 HydrophobicContact CE2-CG 3.69Å; F199-F241 HydrophobicContact CZ-CB 3.74Å; F199-F241 HydrophobicContact CZ-CD2 4.38Å; F199-F241 HydrophobicContact CZ-CG 4.15Å; I200-F241 CarbonylContact O-C 3.16Å; I200-F241 WeakPolarHBondContact O-CA 3.2Å; I200-F241 WeakPolarHBondContact O-CB 3.3Å; I229-F241 HydrophobicContact CB-CD2 4.31Å; I229-F241 HydrophobicContact CB-CE1 4.45Å; I229-F241 HydrophobicContact CB-CE2 3.82Å; I229-F241 HydrophobicContact CB-CZ 3.89Å; I229-F241 HydrophobicContact CG1-CD2 4.01Å; I229-F241 HydrophobicContact CG1-CE2 3.41Å; I229-F241 VanDerWaalsContact CG1-CE2 3.41Å; I229-F241 HydrophobicContact CG1-CZ 3.9Å; I229-F241 HydrophobicContact CG2-CE1 4.42Å; I229-F241 HydrophobicContact CG2-CE2 4.28Å; I229-F241 HydrophobicContact CG2-CZ 3.87Å; I229-F241 PolarHBondContact N-O 3.02Å; R239-F241 HydrophobicContact CB-CD1 4.09Å; R239-F241 HydrophobicContact CB-CE1 3.92Å; R239-F241 HydrophobicContact CG-CD1 3.77Å; R239-F241 HydrophobicContact CG-CE1 3.29Å; R239-F241 HydrophobicContact CG-CZ 4.23Å; F241-F243 HydrophobicContact CD2-CE2 4.17Å; F241-F243 AromaticContact CE2-CE2 3.74Å; F241-F243 HydrophobicContact CE2-CE2 3.74Å; F241-F243 HydrophobicContact CE2-CZ 4.16Å
242A94.1Very high90.3Very high0 Ų052.7 Ų52.70%028%0.277CS..EExtended strand (participates in β ladder)trans-138.5161.1177.600000110.7I200 I203 F212 E227 L228I200-A242 PolarHBondContact N-O 2.92Å; I200-A242 PolarHBondContact O-N 3.17Å; I203-A242 HydrophobicContact CD1-CB 3.45Å; I203-A242 VanDerWaalsContact CD1-CB 3.45Å; F212-A242 HydrophobicContact CD1-CB 4.1Å; F212-A242 HydrophobicContact CE1-CB 3.43Å; F212-A242 VanDerWaalsContact CE1-CB 3.43Å; F212-A242 HydrophobicContact CZ-CB 3.92Å; E227-A242 CarbonylContact O-C 3.54Å; E227-A242 VanDerWaalsContact O-CA 3.24Å; E227-A242 WeakPolarHBondContact O-CA 3.3Å; L228-A242 HydrophobicContact CB-CB 4.39Å; L228-A242 HydrophobicContact CD1-CB 3.86Å
243F94.6Very high90.7Very high41 Ų4149.2 Ų49.218%0.1825%0.252CS..EExtended strand (participates in β ladder)trans-111.1135.8164.9-59.4-86000110R197 L198 F199 I226 E227 I229 F241 A276R197-F243 HydrophobicContact CG-CB 4.49Å; R197-F243 VanDerWaalsContact NH2-CB 3.3Å; R197-F243 VanDerWaalsContact NH2-CG 3.26Å; L198-F243 CarbonylContact O-C 3.56Å; L198-F243 VanDerWaalsContact O-CA 3.25Å; L198-F243 WeakPolarHBondContact O-CA 3.37Å; F199-F243 HydrophobicContact CB-CD1 4.27Å; F199-F243 HydrophobicContact CB-CE1 4.21Å; F199-F243 HydrophobicContact CD2-CD1 4.27Å; F199-F243 AromaticContact CD2-CE1 3.74Å; F199-F243 HydrophobicContact CD2-CE1 3.74Å; F199-F243 HydrophobicContact CD2-CZ 4.07Å; F199-F243 HydrophobicContact CG-CE1 4.47Å; I226-F243 CarbonylContact C-O 3.52Å; I226-F243 WeakPolarHBondContact CA-O 3.49Å; E227-F243 HydrophobicContact CB-CB 4.26Å; E227-F243 PolarHBondContact N-O 2.96Å; E227-F243 PolarHBondContact O-N 2.83Å; I229-F243 HydrophobicContact CG1-CD2 4.33Å; I229-F243 HydrophobicContact CG1-CE2 4.2Å; F241-F243 HydrophobicContact CD2-CE2 4.17Å; F241-F243 AromaticContact CE2-CE2 3.74Å; F241-F243 HydrophobicContact CE2-CE2 3.74Å; F241-F243 HydrophobicContact CE2-CZ 4.16Å; F243-A276 HydrophobicContact CD1-CB 3.71Å; F243-A276 HydrophobicContact CE1-CB 4.05Å
244V94.7Very high91.2Very high0 Ų044.9 Ų44.90%022%0.222CC..EExtended strand (participates in β ladder)trans-121.3119.3178.9-175.50000108.8R197 L198 I200 F212 I216 V223 N225 I226 Y246R197-V244 CarbonylContact C-O 3.54Å; R197-V244 VanDerWaalsContact CA-O 3.3Å; R197-V244 WeakPolarHBondContact CA-O 3.41Å; L198-V244 PolarHBondContact N-O 2.96Å; L198-V244 PolarHBondContact O-N 3.12Å; I200-V244 HydrophobicContact CD1-CB 4.37Å; I200-V244 HydrophobicContact CD1-CG2 3.64Å; F212-V244 HydrophobicContact CE1-CG2 3.92Å; F212-V244 HydrophobicContact CZ-CG2 4.32Å; I216-V244 HydrophobicContact CG2-CG1 4.07Å; I216-V244 HydrophobicContact CG2-CG2 4.44Å; V223-V244 HydrophobicContact CG1-CG1 3.82Å; V223-V244 HydrophobicContact CG2-CG1 4.46Å; N225-V244 CarbonylContact O-C 3.47Å; N225-V244 WeakPolarHBondContact O-CA 3.26Å; I226-V244 HydrophobicContact CG1-CG1 4.26Å; I226-V244 HydrophobicContact CG1-CG2 4.31Å; V244-Y246 HydrophobicContact CB-CE2 3.89Å; V244-Y246 HydrophobicContact CG1-CD2 3.98Å; V244-Y246 HydrophobicContact CG1-CE2 3.37Å
245L92.7Very high91.8Very high41 Ų4142.1 Ų42.122%0.21521%0.207CC..EExtended strand (participates in β ladder)trans-91129.9172.6-174.268.9000109N196 R197 E224 N225N196-L245 WeakPolarHBondContact ND2-CD1 3.42Å; R197-L245 HydrophobicContact CB-CD1 4.19Å; R197-L245 HydrophobicContact CG-CD1 4.48Å; E224-L245 PolarHBondContact N-O 3.23Å; N225-L245 HydrophobicContact CB-CB 4Å; N225-L245 HydrophobicContact CB-CD2 4.31Å; N225-L245 PolarHBondContact N-O 2.83Å; N225-L245 PolarHBondContact O-N 2.94Å
246Y94.2Very high92.4Very high0 Ų040.4 Ų40.40%019%0.189CC..EExtended strand (participates in β ladder)trans-108.4155.7175.3-71.4-96.2000111.7H114 N196 L198 I216 P221 G222 V223 V244 N248 C251 A252 S255 M259H114-Y246 PolarHBondContact ND1-O 3.31Å; N196-Y246 PolarHBondContact O-N 3.49Å; L198-Y246 HydrophobicContact CB-CE2 4.44Å; L198-Y246 HydrophobicContact CD1-CD2 4.36Å; L198-Y246 HydrophobicContact CD1-CE2 3.58Å; L198-Y246 HydrophobicContact CG-CD2 4.27Å; L198-Y246 HydrophobicContact CG-CE2 3.87Å; I216-Y246 VanDerWaalsContact CG2-OH 3.3Å; I216-Y246 WeakPolarHBondContact CG2-OH 3.2Å; P221-Y246 WeakPolarHBondContact O-CD1 3.43Å; G222-Y246 CarbonylContact O-C 3.6Å; G222-Y246 WeakPolarHBondContact O-CA 3.22Å; V223-Y246 HydrophobicContact CG2-CD1 4.24Å; V223-Y246 HydrophobicContact CG2-CE1 3.64Å; V244-Y246 HydrophobicContact CB-CE2 3.89Å; V244-Y246 HydrophobicContact CG1-CD2 3.98Å; V244-Y246 HydrophobicContact CG1-CE2 3.37Å; Y246-N248 VanDerWaalsContact C-N 3.28Å; Y246-N248 PolarHBondContact O-N 2.76Å; Y246-C251 HydrophobicContact CD1-CB 3.99Å; Y246-C251 HydrophobicContact CG-CB 4.5Å; Y246-A252 HydrophobicContact CD2-CB 3.75Å; Y246-A252 HydrophobicContact CG-CB 3.86Å; Y246-S255 WeakPolarHBondContact CE1-OG 3.05Å; Y246-S255 VanDerWaalsContact CZ-CB 3.42Å; Y246-S255 WeakPolarHBondContact OH-CB 3.25Å; Y246-S255 PolarHBondContact OH-OG 3.27Å; Y246-M259 WeakPolarHBondContact OH-CE 3.37Å
247Y92.1Very high93Very high71 Ų7139.6 Ų39.628%0.27818%0.177SC..SBendtrans-52.2-44.6177.8178.9-106.7000112.1L111 P113 H114 G222 E224L111-Y247 WeakPolarHBondContact O-CE1 3.13Å; P113-Y247 CarbonylContact C-O 3.56Å; P113-Y247 WeakPolarHBondContact CA-O 2.85Å; P113-Y247 HydrophobicContact CB-CD2 4.07Å; P113-Y247 HydrophobicContact CB-CE1 4.06Å; P113-Y247 HydrophobicContact CB-CE2 3.54Å; P113-Y247 WeakPolarHBondContact CD-OH 3.29Å; P113-Y247 HydrophobicContact CG-CE2 4.32Å; H114-Y247 PolarHBondContact N-O 3.34Å; H114-Y247 PolarHBondContact ND1-O 2.85Å; G222-Y247 WeakPolarHBondContact O-CB 3.48Å; G222-Y247 PolarHBondContact O-N 3.5Å; E224-Y247 WeakPolarHBondContact OE1-CD2 3.23Å
248N92.5Very high93.3Very high5 Ų536 Ų363%0.02717%0.166CC..SBendtrans-146.4171.5177.163.230.6000111.4L108 L111 P112 Y246 A250 C251 A252L108-N248 PolarHBondContact O-ND2 3.48Å; L111-N248 PolarHBondContact O-ND2 3.18Å; L111-N248 VanDerWaalsContact O-ND2 3.17Å; P112-N248 WeakPolarHBondContact O-CB 3.21Å; Y246-N248 VanDerWaalsContact C-N 3.28Å; Y246-N248 PolarHBondContact O-N 2.76Å; N248-A250 VanDerWaalsContact C-N 3.29Å; N248-A250 PolarHBondContact O-N 3.45Å; N248-A250 PolarHBondContact OD1-N 2.85Å; N248-C251 VanDerWaalsContact OD1-CB 3.3Å; N248-C251 WeakPolarHBondContact OD1-CB 3.06Å; N248-C251 PolarHBondContact OD1-N 3.18Å; N248-C251 PolarHBondContact OD1-SG 3.49Å; N248-A252 PolarHBondContact O-N 2.82Å
249N92.4Very high93.4Very high71 Ų7135.9 Ų35.938%0.3817%0.165SC..Hα-helixtrans-60.7-37.7178.9168.6-96.2000112.2K195 A252 D253K195-N249 WeakPolarHBondContact O-CB 3.11Å; K195-N249 PolarHBondContact O-ND2 2.99Å; N249-A252 WeakPolarHBondContact O-CB 3.36Å; N249-A252 PolarHBondContact O-N 2.89Å; N249-D253 PolarHBondContact O-N 2.81Å
250A93.3Very high93.4Very high25 Ų2534 Ų3421%0.20716%0.163CC..Hα-helixtrans-65.8-44.6-177.400000112.8L108 L111 N248 A252 D253 Y254L108-A250 HydrophobicContact CD2-CB 3.72Å; L111-A250 HydrophobicContact CD1-CB 3.38Å; N248-A250 VanDerWaalsContact C-N 3.29Å; N248-A250 PolarHBondContact O-N 3.45Å; N248-A250 PolarHBondContact OD1-N 2.85Å; A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 2.94Å; A250-D253 PolarHBondContact O-N 3.12Å; A250-Y254 VanDerWaalsContact O-CB 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.37Å; A250-Y254 PolarHBondContact O-N 3.46Å
251C94.6Very high93.3Very high0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-61-41.4172.7-72.10000111.4P221 Y246 N248 S255P221-C251 WeakPolarHBondContact O-CB 3.36Å; Y246-C251 HydrophobicContact CD1-CB 3.99Å; Y246-C251 HydrophobicContact CG-CB 4.5Å; N248-C251 VanDerWaalsContact OD1-CB 3.3Å; N248-C251 WeakPolarHBondContact OD1-CB 3.06Å; N248-C251 PolarHBondContact OD1-N 3.18Å; N248-C251 PolarHBondContact OD1-SG 3.49Å; C251-S255 WeakPolarHBondContact O-CB 3.32Å; C251-S255 PolarHBondContact O-N 3.39Å; C251-S255 PolarHBondContact O-OG 3.24Å
252A94.8Very high92.9Very high0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-64-47.3177.500000111.6L198 Y246 N248 N249 A250 S255 R256 W275L198-A252 WeakPolarHBondContact CD1-O 3.37Å; Y246-A252 HydrophobicContact CD2-CB 3.75Å; Y246-A252 HydrophobicContact CG-CB 3.86Å; N248-A252 PolarHBondContact O-N 2.82Å; N249-A252 WeakPolarHBondContact O-CB 3.36Å; N249-A252 PolarHBondContact O-N 2.89Å; A250-A252 VanDerWaalsContact C-N 3.31Å; A250-A252 PolarHBondContact O-N 2.94Å; A252-S255 PolarHBondContact O-N 2.88Å; A252-R256 VanDerWaalsContact O-CB 3.24Å; A252-R256 WeakPolarHBondContact O-CB 3.34Å; A252-R256 PolarHBondContact O-N 3.14Å; A252-W275 HydrophobicContact CB-CH2 3.79Å; A252-W275 HydrophobicContact CB-CZ3 3.59Å
253D94.7Very high92.6Very high42 Ų4246.2 Ų46.223%0.22524%0.237CC..Hα-helixtrans-69.8-40.5-178.4-167.755.6000111.6N249 A250 S255 R256 Q257 W275N249-D253 PolarHBondContact O-N 2.81Å; A250-D253 PolarHBondContact O-N 3.12Å; D253-S255 VanDerWaalsContact C-N 3.34Å; D253-S255 PolarHBondContact O-N 2.85Å; D253-R256 WeakPolarHBondContact O-CB 3.45Å; D253-R256 PolarHBondContact O-N 3.05Å; D253-R256 IonicContact OD1-NH1 2.75Å; D253-R256 PolarHBondContact OD1-NH1 3.47Å; D253-Q257 VanDerWaalsContact O-CG 3.29Å; D253-Q257 WeakPolarHBondContact O-CG 3.47Å; D253-Q257 PolarHBondContact O-N 3.34Å; D253-Q257 PolarHBondContact OD2-NE2 2.97Å; D253-W275 HydrophobicContact CB-CH2 3.93Å; D253-W275 HydrophobicContact CB-CZ2 3.93Å; D253-W275 WeakPolarHBondContact OD1-CZ2 3.46Å
254Y94.1Very high92.2Very high37 Ų3746 Ų4615%0.14524%0.236CC..Hα-helixtrans-54.9-50.5172.6-179.9-91.9000111.6D101 Y105 L108 A250 R256 Q257 K258D101-Y254 PolarHBondContact OD1-OH 2.81Å; D101-Y254 VanDerWaalsContact OD1-OH 3.09Å; Y105-Y254 HydrophobicContact CD1-CE1 4.28Å; Y105-Y254 HydrophobicContact CE1-CD1 4.47Å; Y105-Y254 AromaticContact CE1-CE1 3.5Å; Y105-Y254 HydrophobicContact CE1-CE1 3.5Å; Y105-Y254 VanDerWaalsContact CE1-CE1 3.5Å; Y105-Y254 AromaticContact CE1-CZ 3.67Å; Y105-Y254 WeakPolarHBondContact CE1-OH 3.44Å; L108-Y254 HydrophobicContact CD1-CD1 4.06Å; L108-Y254 HydrophobicContact CD1-CD2 3.73Å; L108-Y254 HydrophobicContact CD1-CE2 4.36Å; L108-Y254 HydrophobicContact CD1-CG 3.54Å; A250-Y254 VanDerWaalsContact O-CB 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.37Å; A250-Y254 PolarHBondContact O-N 3.46Å; Y254-R256 VanDerWaalsContact C-N 3.33Å; Y254-R256 PolarHBondContact O-N 3.46Å; Y254-Q257 PolarHBondContact O-N 3.1Å; Y254-K258 HydrophobicContact CE1-CD 3.72Å; Y254-K258 HydrophobicContact CE1-CG 4.33Å; Y254-K258 PolarHBondContact O-N 3.04Å; Y254-K258 WeakPolarHBondContact OH-CE 3.09Å; Y254-K258 PolarHBondContact OH-NZ 2.97Å
255S94.5Very high91.9Very high0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-66.3-38.6-179.7-55.20000111.2Y246 C251 A252 D253 K258 M259Y246-S255 WeakPolarHBondContact CE1-OG 3.05Å; Y246-S255 VanDerWaalsContact CZ-CB 3.42Å; Y246-S255 WeakPolarHBondContact OH-CB 3.25Å; Y246-S255 PolarHBondContact OH-OG 3.27Å; C251-S255 WeakPolarHBondContact O-CB 3.32Å; C251-S255 PolarHBondContact O-N 3.39Å; C251-S255 PolarHBondContact O-OG 3.24Å; A252-S255 PolarHBondContact O-N 2.88Å; D253-S255 VanDerWaalsContact C-N 3.34Å; D253-S255 PolarHBondContact O-N 2.85Å; S255-K258 PolarHBondContact O-N 3.2Å; S255-M259 WeakPolarHBondContact O-CB 3.44Å; S255-M259 WeakPolarHBondContact O-CE 3.44Å; S255-M259 VanDerWaalsContact O-CG 3.23Å; S255-M259 WeakPolarHBondContact O-CG 3.45Å; S255-M259 PolarHBondContact O-N 2.76Å
256R95.1Very high91.6Very high67 Ų6750 Ų5025%0.25325%0.251SS..Hα-helixtrans-59.7-48.9173.8173.6177.3169.1-89.6-6.3111.6L198 A252 D253 Y254 M259 I260 V273L198-R256 HydrophobicContact CD1-CB 3.81Å; L198-R256 HydrophobicContact CD2-CB 3.86Å; L198-R256 HydrophobicContact CD2-CG 4.29Å; A252-R256 VanDerWaalsContact O-CB 3.24Å; A252-R256 WeakPolarHBondContact O-CB 3.34Å; A252-R256 PolarHBondContact O-N 3.14Å; D253-R256 WeakPolarHBondContact O-CB 3.45Å; D253-R256 PolarHBondContact O-N 3.05Å; D253-R256 IonicContact OD1-NH1 2.75Å; D253-R256 PolarHBondContact OD1-NH1 3.47Å; Y254-R256 VanDerWaalsContact C-N 3.33Å; Y254-R256 PolarHBondContact O-N 3.46Å; R256-M259 PolarHBondContact O-N 2.92Å; R256-I260 HydrophobicContact CG-CD1 3.57Å; R256-I260 HydrophobicContact CG-CG1 4.37Å; R256-I260 WeakPolarHBondContact O-CB 3.24Å; R256-I260 VanDerWaalsContact O-CG1 3.23Å; R256-I260 WeakPolarHBondContact O-CG1 3.41Å; R256-I260 PolarHBondContact O-N 3.1Å; R256-V273 HydrophobicContact CB-CG1 4.28Å; R256-V273 HydrophobicContact CG-CG1 4.01Å
257Q93.6Very high91Very high99 Ų9955.9 Ų55.946%0.46328%0.279SS..Hα-helixtrans-60.3-46.5179.4-70.4-18021.600111.1D253 Y254 M259 I260 D261D253-Q257 VanDerWaalsContact O-CG 3.29Å; D253-Q257 WeakPolarHBondContact O-CG 3.47Å; D253-Q257 PolarHBondContact O-N 3.34Å; D253-Q257 PolarHBondContact OD2-NE2 2.97Å; Y254-Q257 PolarHBondContact O-N 3.1Å; Q257-M259 PolarHBondContact O-N 3.34Å; Q257-I260 PolarHBondContact O-N 2.79Å; Q257-D261 PolarHBondContact O-N 2.97Å
258K91.5Very high90.5Very high69 Ų6955.1 Ų55.130%0.329%0.292SS..Hα-helixtrans-63.3-36.8176.7-87.8-163.9165.2174.80113.2D101 V219 Y254 S255 D261 F264D101-K258 IonicContact OD1-NZ 3.74Å; D101-K258 PolarHBondContact OD1-NZ 2.82Å; D101-K258 IonicContact OD2-NZ 2.81Å; D101-K258 PolarHBondContact OD2-NZ 2.77Å; V219-K258 HydrophobicContact CG1-CB 3.61Å; V219-K258 HydrophobicContact CG1-CD 4.31Å; V219-K258 VanDerWaalsContact O-CD 3.32Å; V219-K258 WeakPolarHBondContact O-CD 3.35Å; Y254-K258 HydrophobicContact CE1-CD 3.72Å; Y254-K258 HydrophobicContact CE1-CG 4.33Å; Y254-K258 PolarHBondContact O-N 3.04Å; Y254-K258 WeakPolarHBondContact OH-CE 3.09Å; Y254-K258 PolarHBondContact OH-NZ 2.97Å; S255-K258 PolarHBondContact O-N 3.2Å; K258-D261 WeakPolarHBondContact O-CB 3.12Å; K258-F264 WeakPolarHBondContact O-CB 3.36Å
259M91.9Very high90.1Very high1 Ų158.1 Ų58.11%0.00531%0.308CS..Hα-helixtrans-80.1-23.6-180-65.8-175.7-124.100114.7L198 I200 I216 V219 Y246 S255 R256 Q257 D261 F264 V273L198-M259 HydrophobicContact CD1-CE 4.26Å; I200-M259 HydrophobicContact CD1-CE 3.9Å; I200-M259 HydrophobicContact CD1-SD 3.51Å; I200-M259 VanDerWaalsContact CD1-SD 3.51Å; I200-M259 HydrophobicContact CG1-SD 4.29Å; I216-M259 HydrophobicContact CD1-CE 3.79Å; I216-M259 HydrophobicContact CD1-SD 3.48Å; I216-M259 WeakPolarHBondContact CD1-SD 3.36Å; I216-M259 HydrophobicContact CG2-CE 4.19Å; V219-M259 HydrophobicContact CG1-CE 4.24Å; V219-M259 HydrophobicContact CG1-CG 3.84Å; V219-M259 HydrophobicContact CG2-CG 4.35Å; Y246-M259 WeakPolarHBondContact OH-CE 3.37Å; S255-M259 WeakPolarHBondContact O-CB 3.44Å; S255-M259 WeakPolarHBondContact O-CE 3.44Å; S255-M259 VanDerWaalsContact O-CG 3.23Å; S255-M259 WeakPolarHBondContact O-CG 3.45Å; S255-M259 PolarHBondContact O-N 2.76Å; R256-M259 PolarHBondContact O-N 2.92Å; Q257-M259 PolarHBondContact O-N 3.34Å; M259-D261 VanDerWaalsContact C-N 3.29Å; M259-F264 HydrophobicContact CB-CD1 3.8Å; M259-F264 HydrophobicContact CB-CE1 3.92Å; M259-F264 HydrophobicContact CG-CD1 3.9Å; M259-F264 HydrophobicContact CG-CE1 3.59Å; M259-F264 HydrophobicContact CG-CZ 4.06Å; M259-F264 HydrophobicContact SD-CE1 4.25Å; M259-V273 HydrophobicContact CB-CB 4.44Å; M259-V273 HydrophobicContact CB-CG2 3.64Å; M259-V273 HydrophobicContact SD-CG2 4.27Å
260I91.4Very high90Very high84 Ų8457.7 Ų57.743%0.43132%0.315SS..Hα-helixtrans-74.6-24.6173.7-70.3170.7000110.8R256 Q257 S262 V273R256-I260 HydrophobicContact CG-CD1 3.57Å; R256-I260 HydrophobicContact CG-CG1 4.37Å; R256-I260 WeakPolarHBondContact O-CB 3.24Å; R256-I260 VanDerWaalsContact O-CG1 3.23Å; R256-I260 WeakPolarHBondContact O-CG1 3.41Å; R256-I260 PolarHBondContact O-N 3.1Å; Q257-I260 PolarHBondContact O-N 2.79Å; I260-S262 PolarHBondContact O-N 2.75Å; I260-V273 HydrophobicContact CG1-CB 3.95Å
261D89.8Confident89.9Confident78 Ų7857.2 Ų57.242%0.41731%0.31SS..SBendtrans-55.4136.6177.4-171.24000111Q257 K258 M259 N263 F264Q257-D261 PolarHBondContact O-N 2.97Å; K258-D261 WeakPolarHBondContact O-CB 3.12Å; M259-D261 VanDerWaalsContact C-N 3.29Å; D261-N263 PolarHBondContact O-N 3.3Å; D261-N263 VanDerWaalsContact O-N 3.08Å; D261-N263 PolarHBondContact OD1-N 2.84Å; D261-N263 PolarHBondContact OD1-ND2 2.85Å; D261-N263 PolarHBondContact OD2-ND2 2.87Å; D261-F264 PolarHBondContact O-N 2.96Å
262S84.6Confident89.8Confident102 Ų10260.9 Ų60.971%0.71333%0.332SS*.THydrogen-bonded Turntrans-61.9-18.8-179.3-64.60000113.4I260 F264I260-S262 PolarHBondContact O-N 2.75Å; S262-F264 VanDerWaalsContact C-N 3.35Å
263N86.6Confident89.8Confident137 Ų13761.4 Ų61.473%0.73334%0.335SS*.THydrogen-bonded Turntrans-74.6-26.2175.4-63.3-39.3000112.6D261D261-N263 PolarHBondContact O-N 3.3Å; D261-N263 VanDerWaalsContact O-N 3.08Å; D261-N263 PolarHBondContact OD1-N 2.84Å; D261-N263 PolarHBondContact OD1-ND2 2.85Å; D261-N263 PolarHBondContact OD2-ND2 2.87Å
264F87.5Confident89.9Confident36 Ų3662.5 Ų62.516%0.15834%0.343CS..  trans-83.8122.8-179-174.2-104.2000111V215 V219 K258 M259 D261 S262 L266 P271V215-F264 HydrophobicContact CG1-CE2 4.06Å; V215-F264 HydrophobicContact CG1-CZ 3.76Å; V219-F264 HydrophobicContact CG2-CD2 3.94Å; V219-F264 HydrophobicContact CG2-CE2 3.19Å; V219-F264 HydrophobicContact CG2-CZ 3.55Å; K258-F264 WeakPolarHBondContact O-CB 3.36Å; M259-F264 HydrophobicContact CB-CD1 3.8Å; M259-F264 HydrophobicContact CB-CE1 3.92Å; M259-F264 HydrophobicContact CG-CD1 3.9Å; M259-F264 HydrophobicContact CG-CE1 3.59Å; M259-F264 HydrophobicContact CG-CZ 4.06Å; M259-F264 HydrophobicContact SD-CE1 4.25Å; D261-F264 PolarHBondContact O-N 2.96Å; S262-F264 VanDerWaalsContact C-N 3.35Å; F264-L266 HydrophobicContact CE1-CD2 3.59Å; F264-L266 HydrophobicContact CE1-CG 4.17Å; F264-L266 HydrophobicContact CZ-CD2 3.54Å; F264-P271 HydrophobicContact CD1-CG 3.6Å; F264-P271 HydrophobicContact CE1-CG 3.77Å
265K87.1Confident89.9Confident126 Ų12663.4 Ų63.455%0.54835%0.347SS..  trans-139.3133.4-178.8-64.3-177.1-178.3177.60111.1E267 N269K265-E267 PolarHBondContact O-N 3.37Å; K265-N269 CarbonylContact C-O 3.54Å; K265-N269 WeakPolarHBondContact CA-O 3.48Å
266L86.5Confident89.8Confident0 Ų064.1 Ų64.10%035%0.353CS..BIsolated β-bridgetrans-90.599171.2-54.7-177.5000108.4I200 I203 P204 W207 F212 V215 F264 G268 N269 P271I200-L266 HydrophobicContact CG2-CD1 4.49Å; I203-L266 HydrophobicContact CG1-CD1 4.14Å; P204-L266 HydrophobicContact CG-CB 4.24Å; W207-L266 HydrophobicContact CH2-CB 3.82Å; W207-L266 HydrophobicContact CH2-CD2 3.75Å; W207-L266 HydrophobicContact CH2-CG 4.31Å; W207-L266 HydrophobicContact CZ2-CB 4.38Å; W207-L266 HydrophobicContact CZ3-CB 4.19Å; W207-L266 HydrophobicContact CZ3-CD1 4.43Å; W207-L266 HydrophobicContact CZ3-CD2 3.78Å; W207-L266 HydrophobicContact CZ3-CG 4.35Å; F212-L266 HydrophobicContact CE2-CD1 4.26Å; V215-L266 HydrophobicContact CG1-CD2 3.76Å; F264-L266 HydrophobicContact CE1-CD2 3.59Å; F264-L266 HydrophobicContact CE1-CG 4.17Å; F264-L266 HydrophobicContact CZ-CD2 3.54Å; L266-G268 PolarHBondContact O-N 2.78Å; L266-N269 PolarHBondContact N-O 3.07Å; L266-N269 WeakPolarHBondContact O-CB 3.42Å; L266-N269 PolarHBondContact O-N 2.99Å; L266-P271 HydrophobicContact CD1-CB 3.84Å; L266-P271 HydrophobicContact CD1-CG 4.42Å; L266-P271 HydrophobicContact CG-CB 4.2Å; L266-P271 HydrophobicContact CG-CG 4.28Å
267E82.8Confident89.3Confident124 Ų12467.6 Ų67.658%0.57938%0.376SS*.THydrogen-bonded Turntrans52.138.4-175.2-90.7-179.5-160.900113.6P204 W207 K265 N269P204-E267 HydrophobicContact CG-CB 3.99Å; W207-E267 HydrophobicContact CZ2-CB 4.26Å; W207-E267 HydrophobicContact CZ2-CG 3.9Å; W207-E267 PolarHBondContact NE1-OE1 2.79Å; K265-E267 PolarHBondContact O-N 3.37Å; E267-N269 VanDerWaalsContact C-N 3.3Å; E267-N269 PolarHBondContact O-N 2.77Å
268G81.8Confident88.3Confident54 Ų5468 Ų6856%0.55739%0.388SS*.THydrogen-bonded Turntrans86.8-9-178.800000114.9L266L266-G268 PolarHBondContact O-N 2.78Å
269N84.3Confident87.2Confident68 Ų6869.4 Ų69.436%0.36439%0.394SS..BIsolated β-bridgetrans-85.8131.6172.1-64.8-24000110.4K265 L266 E267 P271K265-N269 CarbonylContact C-O 3.54Å; K265-N269 WeakPolarHBondContact CA-O 3.48Å; L266-N269 PolarHBondContact N-O 3.07Å; L266-N269 WeakPolarHBondContact O-CB 3.42Å; L266-N269 PolarHBondContact O-N 2.99Å; E267-N269 VanDerWaalsContact C-N 3.3Å; E267-N269 PolarHBondContact O-N 2.77Å; N269-P271 WeakPolarHBondContact O-CD 3.48Å
270A89.9Confident85.3Confident62 Ų6275 Ų7551%0.51243%0.433SS..PPolyproline II helixtrans-73.7120.7168.300000108.7N202N202-A270 PolarHBondContact ND2-O 3.32Å
271P91.6Very high83.1Confident16 Ų1671.8 Ų71.810%0.10442%0.418CS..PPolyproline II helixtrans-69.3152.9177.728.7-32.5000111.1I200 G201 F264 L266 N269 V273I200-P271 HydrophobicContact CG2-CB 4.14Å; G201-P271 WeakPolarHBondContact O-CA 3.46Å; F264-P271 HydrophobicContact CD1-CG 3.6Å; F264-P271 HydrophobicContact CE1-CG 3.77Å; L266-P271 HydrophobicContact CD1-CB 3.84Å; L266-P271 HydrophobicContact CD1-CG 4.42Å; L266-P271 HydrophobicContact CG-CB 4.2Å; L266-P271 HydrophobicContact CG-CG 4.28Å; N269-P271 WeakPolarHBondContact O-CD 3.48Å; P271-V273 HydrophobicContact CB-CG2 4.08Å; P271-V273 HydrophobicContact CG-CG2 4.22Å
272T92.8Very high81Confident76 Ų7671.4 Ų71.447%0.46642%0.42SS..EExtended strand (participates in β ladder)trans-95.4112.8167.2-580000108I200 G201I200-T272 CarbonylContact C-O 3.51Å; I200-T272 WeakPolarHBondContact CA-O 3.12Å; G201-T272 PolarHBondContact N-O 2.89Å; G201-T272 PolarHBondContact O-N 2.99Å
273V94.8Very high79.2Confident12 Ų1273.3 Ų73.37%0.07342%0.417CS..EExtended strand (participates in β ladder)trans-116.7120.7-178.2-1720000110.7L198 F199 I200 R256 M259 I260 P271L198-V273 HydrophobicContact CD1-CG1 4.1Å; F199-V273 WeakPolarHBondContact O-CA 2.96Å; I200-V273 HydrophobicContact CG1-CG1 4.31Å; I200-V273 HydrophobicContact CG1-CG2 4.27Å; I200-V273 HydrophobicContact CG2-CG2 4.34Å; R256-V273 HydrophobicContact CB-CG1 4.28Å; R256-V273 HydrophobicContact CG-CG1 4.01Å; M259-V273 HydrophobicContact CB-CB 4.44Å; M259-V273 HydrophobicContact CB-CG2 3.64Å; M259-V273 HydrophobicContact SD-CG2 4.27Å; I260-V273 HydrophobicContact CG1-CB 3.95Å; P271-V273 HydrophobicContact CB-CG2 4.08Å; P271-V273 HydrophobicContact CG-CG2 4.22Å
274T94.9Very high77.5Confident64 Ų6474.1 Ų74.139%0.39342%0.417SS..EExtended strand (participates in β ladder)trans-136.9162.9177.661.10000109.9L198 F199 A276L198-T274 WeakPolarHBondContact CA-O 3.18Å; F199-T274 PolarHBondContact N-O 3.44Å; F199-T274 PolarHBondContact O-N 3.46Å; T274-A276 PolarHBondContact O-N 3.31Å
275W94.6Very high76.2Confident57 Ų5775.1 Ų75.122%0.21643%0.428CS..EExtended strand (participates in β ladder)trans-59.8136.2163.7-65.1113.5000109K195 L198 A252 D253K195-W275 HydrophobicContact CB-CD2 3.74Å; K195-W275 HydrophobicContact CB-CE3 3.5Å; K195-W275 HydrophobicContact CB-CG 4.34Å; K195-W275 HydrophobicContact CB-CH2 4.18Å; K195-W275 HydrophobicContact CB-CZ2 4.4Å; K195-W275 HydrophobicContact CB-CZ3 3.73Å; K195-W275 HydrophobicContact CD-CB 4.27Å; K195-W275 HydrophobicContact CD-CD2 3.97Å; K195-W275 HydrophobicContact CD-CG 3.78Å; K195-W275 HydrophobicContact CG-CD2 4.4Å; K195-W275 WeakPolarHBondContact O-CH2 3.31Å; K195-W275 WeakPolarHBondContact O-CZ3 3.35Å; L198-W275 HydrophobicContact CD2-CD2 4.1Å; L198-W275 HydrophobicContact CD2-CE3 3.47Å; L198-W275 VanDerWaalsContact CD2-CE3 3.47Å; L198-W275 HydrophobicContact CD2-CH2 4.24Å; L198-W275 HydrophobicContact CD2-CZ3 3.57Å; A252-W275 HydrophobicContact CB-CH2 3.79Å; A252-W275 HydrophobicContact CB-CZ3 3.59Å; D253-W275 HydrophobicContact CB-CH2 3.93Å; D253-W275 HydrophobicContact CB-CZ2 3.93Å; D253-W275 WeakPolarHBondContact OD1-CZ2 3.46Å
276A92.2Very high74.9Confident15 Ų1572.7 Ų72.712%0.12443%0.431CS..PPolyproline II helixtrans-81.8145.2172.400000109R197 F199 F243 T274R197-A276 HydrophobicContact CB-CB 4.05Å; R197-A276 HydrophobicContact CG-CB 3.79Å; R197-A276 WeakPolarHBondContact O-CB 3.45Å; R197-A276 PolarHBondContact O-N 3.25Å; F199-A276 HydrophobicContact CB-CB 4.26Å; F243-A276 HydrophobicContact CD1-CB 3.71Å; F243-A276 HydrophobicContact CE1-CB 4.05Å; T274-A276 PolarHBondContact O-N 3.31Å
277D85.1Confident74Confident140 Ų14074.7 Ų74.775%0.74945%0.448SS*.PPolyproline II helixtrans-57.2141169.8-58.3-40.9000109.4K279D277-K279 PolarHBondContact O-N 3.24Å; D277-K279 VanDerWaalsContact O-N 3.12Å
278P73.6Confident73.3Confident108 Ų10869.1 Ų69.170%0.70142%0.423SS*.PPolyproline II helixtrans-48.7124.7174.2-25.332.7000109S280P278-S280 PolarHBondContact O-N 3.46Å
279K67.3Low72.7Confident97 Ų9768.7 Ų68.742%0.42241%0.414SS..  trans-67.3102.9-179.6-156.7-178.6179.4162.80106.6E227 D277 S281E227-K279 IonicContact OE1-NZ 2.86Å; E227-K279 IonicContact OE2-NZ 3.81Å; E227-K279 PolarHBondContact OE2-NZ 3.44Å; D277-K279 PolarHBondContact O-N 3.24Å; D277-K279 VanDerWaalsContact O-N 3.12Å; K279-S281 PolarHBondContact O-N 2.77Å
280S51.2Low72.4Confident119 Ų11972.5 Ų72.583%0.83243%0.43SS*.  trans-70.851.3160.382.20000109P278 P282P278-S280 PolarHBondContact O-N 3.46Å; S280-P282 WeakPolarHBondContact O-CD 3.46Å
281S45.5Very low72.1Confident16 Ų1670.2 Ų70.211%0.11241%0.409CS..  trans-72.1126.4171.3-172.20000106.5K279 E283 H284 S285K279-S281 PolarHBondContact O-N 2.77Å; S281-E283 PolarHBondContact O-N 3.4Å; S281-E283 PolarHBondContact OG-N 3.08Å; S281-H284 PolarHBondContact O-N 3.46Å; S281-S285 PolarHBondContact O-N 3.29Å
282P46.7Very low72.1Confident71 Ų7174.4 Ų74.446%0.46143%0.426SS..THydrogen-bonded Turntrans-62.2-0.6174.327-34.4000113.3S280 A288S280-P282 WeakPolarHBondContact O-CD 3.46Å; P282-A288 WeakPolarHBondContact O-CB 2.94Å
283E47.1Very low72Confident142 Ų14271.3 Ų71.366%0.66441%0.408SS*.THydrogen-bonded Turntrans-88-23.3171-72178.7159.700114.3S281 A288S281-E283 PolarHBondContact O-N 3.4Å; S281-E283 PolarHBondContact OG-N 3.08Å; E283-A288 WeakPolarHBondContact O-CB 3.45Å
284H50.8Low71.9Confident154 Ų15470.7 Ų70.771%0.71340%0.404SS*.THydrogen-bonded Turntrans-117.60.8-175.9-66.776.6000113.4S281S281-H284 PolarHBondContact O-N 3.46Å
285S59Low71.7Confident56 Ų5670.9 Ų70.939%0.39240%0.398SS..SBendtrans-60.1148.7169.3175.80000110.3S281 A287 A288 A289S281-S285 PolarHBondContact O-N 3.29Å; S285-A287 PolarHBondContact O-N 3.43Å; S285-A287 VanDerWaalsContact O-N 3.07Å; S285-A287 PolarHBondContact OG-N 2.94Å; S285-A288 VanDerWaalsContact O-CA 3.31Å; S285-A288 WeakPolarHBondContact O-CA 3.47Å; S285-A288 WeakPolarHBondContact O-CB 3.5Å; S285-A288 PolarHBondContact O-N 3.12Å; S285-A289 PolarHBondContact O-N 3.23Å
286A61.5Low71.6Confident76 Ų7668.2 Ų68.263%0.62839%0.388SS*.Hα-helixtrans-49.3-34.916900000111.8A288 A289 Q290A286-A288 PolarHBondContact O-N 3.26Å; A286-A289 WeakPolarHBondContact O-CB 3.27Å; A286-A289 PolarHBondContact O-N 3.19Å; A286-Q290 WeakPolarHBondContact O-CG 3.18Å; A286-Q290 PolarHBondContact O-N 3.1Å
287A65.7Low71.4Confident42 Ų4271.4 Ų71.435%0.34740%0.399SS..Hα-helixtrans-64.3-36.9173.600000113S285 Q290 V291 P368S285-A287 PolarHBondContact O-N 3.43Å; S285-A287 VanDerWaalsContact O-N 3.07Å; S285-A287 PolarHBondContact OG-N 2.94Å; A287-Q290 PolarHBondContact O-N 2.98Å; A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.09Å; A287-P368 HydrophobicContact CB-CB 3.77Å; A287-P368 HydrophobicContact CB-CG 4.16Å
288A68.4Low71.5Confident7 Ų768.1 Ų68.16%0.05838%0.382CS..Hα-helixtrans-67.8-38.1174.300000112P282 E283 S285 A286 Q290 V291P282-A288 WeakPolarHBondContact O-CB 2.94Å; E283-A288 WeakPolarHBondContact O-CB 3.45Å; S285-A288 VanDerWaalsContact O-CA 3.31Å; S285-A288 WeakPolarHBondContact O-CA 3.47Å; S285-A288 WeakPolarHBondContact O-CB 3.5Å; S285-A288 PolarHBondContact O-N 3.12Å; A286-A288 PolarHBondContact O-N 3.26Å; A288-Q290 PolarHBondContact O-N 3.46Å; A288-V291 WeakPolarHBondContact O-CB 3.39Å; A288-V291 PolarHBondContact O-N 2.98Å; A288-V291 VanDerWaalsContact O-N 3.12Å
289A70.7Confident72Confident44 Ų4463.4 Ų63.436%0.36435%0.351SS..Hα-helixtrans-65.3-17.3175.700000112.8S285 A286 R341S285-A289 PolarHBondContact O-N 3.23Å; A286-A289 WeakPolarHBondContact O-CB 3.27Å; A286-A289 PolarHBondContact O-N 3.19Å; A289-R341 WeakPolarHBondContact O-CD 3.32Å; A289-R341 PolarHBondContact O-NE 3.04Å; A289-R341 PolarHBondContact O-NH1 3.01Å
290Q77.7Confident72.8Confident149 Ų14959.3 Ų59.370%0.69633%0.334SS*.THydrogen-bonded Turntrans-99.6-2175.6-66.6177.2-2.700113.6A286 A287 A288 K292A286-Q290 WeakPolarHBondContact O-CG 3.18Å; A286-Q290 PolarHBondContact O-N 3.1Å; A287-Q290 PolarHBondContact O-N 2.98Å; A288-Q290 PolarHBondContact O-N 3.46Å; Q290-K292 PolarHBondContact O-N 2.76Å; Q290-K292 VanDerWaalsContact O-N 3.1Å
291V83.1Confident74Confident14 Ų1459.1 Ų59.19%0.08532%0.32CS..  trans-65116.8-178.8174.10000110.4A287 A288 A293 L365 A366 P368A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.09Å; A288-V291 WeakPolarHBondContact O-CB 3.39Å; A288-V291 PolarHBondContact O-N 2.98Å; A288-V291 VanDerWaalsContact O-N 3.12Å; V291-A293 HydrophobicContact CG1-CB 4.46Å; V291-A293 WeakPolarHBondContact CG1-O 3.37Å; V291-L365 HydrophobicContact CB-CD2 4.45Å; V291-L365 HydrophobicContact CG1-CD2 3.94Å; V291-A366 HydrophobicContact CG1-CB 4.26Å; V291-A366 WeakPolarHBondContact CG1-O 3.41Å; V291-P368 HydrophobicContact CG2-CB 3.97Å; V291-P368 HydrophobicContact CG2-CG 4.48Å
292K91Very high75.6Confident104 Ų10465.3 Ų65.345%0.45235%0.351SS..  trans-103.79.6171.7-57178178.1-171.10112.8Q290 Y338 A339 R341Q290-K292 PolarHBondContact O-N 2.76Å; Q290-K292 VanDerWaalsContact O-N 3.1Å; K292-Y338 WeakPolarHBondContact CB-O 3.43Å; K292-Y338 PolarHBondContact O-N 3.47Å; K292-A339 WeakPolarHBondContact CD-O 3.04Å; K292-A339 PolarHBondContact NZ-O 2.88Å; K292-R341 HydrophobicContact CG-CB 4.29Å
293A92.2Very high77.3Confident10 Ų1063 Ų638%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-115.3143.1-174.700000112V291 V336 A366V291-A293 HydrophobicContact CG1-CB 4.46Å; V291-A293 WeakPolarHBondContact CG1-O 3.37Å; A293-V336 CarbonylContact C-O 3.57Å; A293-V336 VanDerWaalsContact CA-O 3.24Å; A293-V336 WeakPolarHBondContact CA-O 3.42Å; A293-A366 HydrophobicContact CB-CB 3.84Å; A293-A366 VanDerWaalsContact O-CB 3.24Å; A293-A366 WeakPolarHBondContact O-CB 3.13Å; A293-A366 PolarHBondContact O-N 3.14Å
294L92.1Very high79.1Confident0 Ų058.4 Ų58.40%032%0.32CS..EExtended strand (participates in β ladder)trans-98.8142.8171.2-58.5-179.4000110.1V296 F312 F335 V336 Y338 A344 A347 V348 V363 V364L294-V296 HydrophobicContact CB-CG2 4.23Å; L294-F312 HydrophobicContact CD1-CD1 3.92Å; L294-F312 HydrophobicContact CD1-CE1 3.94Å; L294-F335 CarbonylContact O-C 3.53Å; L294-F335 WeakPolarHBondContact O-CA 3.39Å; L294-V336 HydrophobicContact CB-CB 4.31Å; L294-V336 PolarHBondContact N-O 3.41Å; L294-V336 PolarHBondContact O-N 3.3Å; L294-Y338 HydrophobicContact CD1-CE2 3.66Å; L294-Y338 HydrophobicContact CG-CD2 4.46Å; L294-Y338 HydrophobicContact CG-CE2 4.03Å; L294-A344 HydrophobicContact CD2-CB 4.09Å; L294-A347 HydrophobicContact CD1-CB 3.73Å; L294-V348 HydrophobicContact CD2-CG2 3.46Å; L294-V348 VanDerWaalsContact CD2-CG2 3.46Å; L294-V363 HydrophobicContact CB-CG1 4.36Å; L294-V363 HydrophobicContact CD1-CG1 3.76Å; L294-V363 HydrophobicContact CD2-CG1 4.31Å; L294-V363 HydrophobicContact CG-CG1 4.38Å; L294-V364 CarbonylContact C-O 3.45Å; L294-V364 WeakPolarHBondContact CA-O 3.38Å
295Y91.3Very high80.8Confident68 Ų6854.3 Ų54.327%0.26731%0.306SS..EExtended strand (participates in β ladder)trans-94.3119.8160.3176.6-106.1000108.3K297 F333 F335 V364Y295-K297 HydrophobicContact CD1-CB 4.42Å; Y295-K297 HydrophobicContact CE1-CB 3.7Å; Y295-K297 HydrophobicContact CE1-CD 3.9Å; Y295-K297 HydrophobicContact CE1-CG 4.4Å; Y295-F333 HydrophobicContact CD2-CD2 4.46Å; Y295-F333 HydrophobicContact CE2-CB 3.81Å; Y295-F333 AromaticContact CE2-CD2 3.63Å; Y295-F333 HydrophobicContact CE2-CD2 3.63Å; Y295-F333 HydrophobicContact CE2-CE2 4.5Å; Y295-F333 AromaticContact CE2-CG 3.94Å; Y295-F333 HydrophobicContact CE2-CG 3.94Å; Y295-F335 HydrophobicContact CD2-CD1 4.24Å; Y295-F335 AromaticContact CD2-CE1 3.63Å; Y295-F335 HydrophobicContact CD2-CE1 3.63Å; Y295-F335 AromaticContact CD2-CZ 3.88Å; Y295-F335 HydrophobicContact CD2-CZ 3.88Å; Y295-F335 HydrophobicContact CE2-CE1 4.47Å; Y295-F335 HydrophobicContact CE2-CZ 4.3Å; Y295-F335 HydrophobicContact CG-CE1 4.48Å; Y295-V364 HydrophobicContact CD1-CG2 4.27Å; Y295-V364 PolarHBondContact N-O 3.48Å; Y295-V364 PolarHBondContact O-N 3.45Å
296V90.8Very high82.2Confident1 Ų158.8 Ų58.81%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-113.6123.5-179.1-1760000107.9L294 I299 F312 F333 G334 V336 L361 E362 V363L294-V296 HydrophobicContact CB-CG2 4.23Å; V296-I299 HydrophobicContact CB-CD1 4.11Å; V296-I299 HydrophobicContact CB-CG1 4.49Å; V296-I299 HydrophobicContact CG1-CD1 3.92Å; V296-I299 HydrophobicContact CG1-CG1 3.86Å; V296-F312 HydrophobicContact CG1-CE2 4.24Å; V296-F312 HydrophobicContact CG1-CZ 4.11Å; V296-F312 HydrophobicContact CG2-CE1 4.46Å; V296-F312 HydrophobicContact CG2-CE2 3.87Å; V296-F312 HydrophobicContact CG2-CZ 3.67Å; V296-F333 CarbonylContact O-C 3.44Å; V296-F333 WeakPolarHBondContact O-CA 3.24Å; V296-F333 WeakPolarHBondContact O-CB 3.24Å; V296-G334 PolarHBondContact N-O 3.17Å; V296-G334 PolarHBondContact O-N 3.03Å; V296-V336 HydrophobicContact CG2-CG2 3.89Å; V296-L361 HydrophobicContact CG1-CB 4.17Å; V296-L361 HydrophobicContact CG1-CD1 3.93Å; V296-L361 HydrophobicContact CG1-CG 4.46Å; V296-E362 CarbonylContact C-O 3.58Å; V296-E362 WeakPolarHBondContact CA-O 3.19Å; V296-V363 HydrophobicContact CG1-CG2 4.37Å; V296-V363 HydrophobicContact CG2-CG2 4.44Å
297K88.3Confident83.5Confident82 Ų8258.8 Ų58.836%0.35731%0.308SS..EExtended strand (participates in β ladder)trans-121.2161.4-178.2176.6167.1159.8-115.20110.7Y295 D332 L361 E362Y295-K297 HydrophobicContact CD1-CB 4.42Å; Y295-K297 HydrophobicContact CE1-CB 3.7Å; Y295-K297 HydrophobicContact CE1-CD 3.9Å; Y295-K297 HydrophobicContact CE1-CG 4.4Å; K297-D332 CarbonylContact C-O 3.52Å; K297-D332 WeakPolarHBondContact CA-O 3.44Å; K297-L361 WeakPolarHBondContact O-CA 3.48Å; K297-E362 HydrophobicContact CB-CB 4.16Å; K297-E362 WeakPolarHBondContact CD-OE2 3.32Å; K297-E362 PolarHBondContact N-O 2.63Å; K297-E362 IonicContact NZ-OE1 2.74Å; K297-E362 IonicContact NZ-OE2 3.43Å; K297-E362 PolarHBondContact NZ-OE2 3.14Å; K297-E362 PolarHBondContact O-N 3.16Å
298N86.7Confident84.6Confident70 Ų7056.9 Ų56.937%0.37429%0.292SS..SBendtrans6735.7-174-158.241.1000113.3P300 D332 P360 L361N298-P300 WeakPolarHBondContact O-CD 3.35Å; N298-D332 PolarHBondContact N-O 3.09Å; N298-P360 PolarHBondContact ND2-O 2.94Å; N298-L361 VanDerWaalsContact O-CD2 3.3Å; N298-L361 WeakPolarHBondContact O-CD2 3.33Å
299I86Confident85.6Confident10 Ų1061.1 Ų61.15%0.05131%0.309CS..  trans-73.1128.4177.2-54.4-179.4000109.1V296 T303 L308 T323 D332 L361V296-I299 HydrophobicContact CB-CD1 4.11Å; V296-I299 HydrophobicContact CB-CG1 4.49Å; V296-I299 HydrophobicContact CG1-CD1 3.92Å; V296-I299 HydrophobicContact CG1-CG1 3.86Å; I299-T303 HydrophobicContact CG2-CG2 4.06Å; I299-L308 HydrophobicContact CD1-CD1 4.09Å; I299-L308 HydrophobicContact CD1-CD2 4.4Å; I299-L308 HydrophobicContact CG2-CD1 4.43Å; I299-T323 HydrophobicContact CD1-CG2 4.16Å; I299-D332 PolarHBondContact N-O 3.25Å; I299-L361 HydrophobicContact CG1-CD2 4.26Å
300P82.5Confident86.5Confident10 Ų1066.4 Ų66.47%0.06533%0.326CS..  trans-63.7145174-17.326.3000112.1N298 N302 T303 V356 Q359N298-P300 WeakPolarHBondContact O-CD 3.35Å; P300-N302 PolarHBondContact O-N 3.39Å; P300-N302 VanDerWaalsContact O-N 3.09Å; P300-T303 WeakPolarHBondContact CB-OG1 3.37Å; P300-T303 VanDerWaalsContact CD-OG1 3.31Å; P300-T303 WeakPolarHBondContact CD-OG1 3.38Å; P300-T303 WeakPolarHBondContact CG-OG1 3.25Å; P300-T303 VanDerWaalsContact O-CB 3.32Å; P300-T303 WeakPolarHBondContact O-CB 3.3Å; P300-T303 PolarHBondContact O-N 2.91Å; P300-T303 PolarHBondContact O-OG1 2.83Å; P300-V356 HydrophobicContact CG-CB 4.03Å; P300-V356 HydrophobicContact CG-CG1 4.19Å; P300-V356 WeakPolarHBondContact CG-O 3.49Å; P300-Q359 HydrophobicContact CG-CB 4.3Å
301E77.8Confident87.1Confident115 Ų11561 Ų6154%0.53730%0.302SS..THydrogen-bonded Turntrans-63.5-21.8-175.5-155.8169.1-153.600113.8
302N78.1Confident87.4Confident146 Ų14660.4 Ų60.478%0.78130%0.298SS*.THydrogen-bonded Turntrans-93.70.9178.1-67.9-15.3000113.8P300 S304P300-N302 PolarHBondContact O-N 3.39Å; P300-N302 VanDerWaalsContact O-N 3.09Å; N302-S304 PolarHBondContact O-N 2.89Å
303T82Confident87.4Confident22 Ų2260.2 Ų60.214%0.13530%0.298CS..  trans-77.5124.9-177.6-62.60000110.7I299 P300 Q307 L308 V356I299-T303 HydrophobicContact CG2-CG2 4.06Å; P300-T303 WeakPolarHBondContact CB-OG1 3.37Å; P300-T303 VanDerWaalsContact CD-OG1 3.31Å; P300-T303 WeakPolarHBondContact CD-OG1 3.38Å; P300-T303 WeakPolarHBondContact CG-OG1 3.25Å; P300-T303 VanDerWaalsContact O-CB 3.32Å; P300-T303 WeakPolarHBondContact O-CB 3.3Å; P300-T303 PolarHBondContact O-N 2.91Å; P300-T303 PolarHBondContact O-OG1 2.83Å; T303-Q307 HydrophobicContact CG2-CB 4.16Å; T303-L308 HydrophobicContact CG2-CD1 4.44Å; T303-L308 HydrophobicContact CG2-CD2 4.11Å; T303-L308 HydrophobicContact CG2-CG 3.85Å; T303-V356 HydrophobicContact CG2-CG1 3.92Å; T303-V356 VanDerWaalsContact OG1-CG1 3.26Å; T303-V356 WeakPolarHBondContact OG1-CG1 3.21Å
304S85.3Confident87.3Confident46 Ų4665.6 Ų65.632%0.32232%0.317SS..  trans-81.5157.1176.176.80000111.4N302 E306 Q307 L308N302-S304 PolarHBondContact O-N 2.89Å; S304-E306 PolarHBondContact O-N 3.24Å; S304-E306 PolarHBondContact OG-N 3.37Å; S304-Q307 VanDerWaalsContact N-OE1 3.12Å; S304-Q307 PolarHBondContact O-N 2.91Å; S304-Q307 WeakPolarHBondContact OG-CG 3.47Å; S304-Q307 PolarHBondContact OG-N 2.89Å; S304-Q307 VanDerWaalsContact OG-N 3.14Å; S304-L308 PolarHBondContact O-N 2.74Å
305T87.1Confident87.2Confident69 Ų6967 Ų6742%0.42332%0.323SS..Hα-helixtrans-61.4-28.317247.60000112.1K309 I321T305-K309 WeakPolarHBondContact O-CB 3.23Å; T305-K309 PolarHBondContact O-N 3.39Å; T305-I321 HydrophobicContact CG2-CG2 4.13Å; T305-I321 VanDerWaalsContact O-CD1 3.28Å; T305-I321 WeakPolarHBondContact O-CD1 3.22Å
306E88.7Confident87.1Confident150 Ų15064.8 Ų64.870%0.70132%0.321SS*.Hα-helixtrans-67.9-41.5175.8-63.6174.1175.600111.7S304 K309 E310S304-E306 PolarHBondContact O-N 3.24Å; S304-E306 PolarHBondContact OG-N 3.37Å; E306-K309 WeakPolarHBondContact O-CB 3.5Å; E306-K309 PolarHBondContact O-N 3.08Å; E306-K309 VanDerWaalsContact O-N 3.16Å; E306-E310 PolarHBondContact O-N 3.14Å
307Q88Confident87.2Confident76 Ų7671.1 Ų71.136%0.35535%0.351SS..Hα-helixtrans-63.1-43.4175.1-73.9175.9-31.200111.7T303 S304 K309 E310 L311T303-Q307 HydrophobicContact CG2-CB 4.16Å; S304-Q307 VanDerWaalsContact N-OE1 3.12Å; S304-Q307 PolarHBondContact O-N 2.91Å; S304-Q307 WeakPolarHBondContact OG-CG 3.47Å; S304-Q307 PolarHBondContact OG-N 2.89Å; S304-Q307 VanDerWaalsContact OG-N 3.14Å; Q307-K309 VanDerWaalsContact C-N 3.3Å; Q307-K309 PolarHBondContact O-N 3.03Å; Q307-E310 PolarHBondContact O-N 2.77Å; Q307-L311 WeakPolarHBondContact O-CB 3.33Å; Q307-L311 WeakPolarHBondContact O-CD1 3.48Å; Q307-L311 WeakPolarHBondContact O-CG 3.28Å; Q307-L311 PolarHBondContact O-N 2.82Å
308L88.7Confident87.4Confident2 Ų267.8 Ų67.81%0.0134%0.337CS..Hα-helixtrans-61.4-41.5173.4-69.6170.1000110.9I299 T303 S304 L311 F312 I321 T323 L361I299-L308 HydrophobicContact CD1-CD1 4.09Å; I299-L308 HydrophobicContact CD1-CD2 4.4Å; I299-L308 HydrophobicContact CG2-CD1 4.43Å; T303-L308 HydrophobicContact CG2-CD1 4.44Å; T303-L308 HydrophobicContact CG2-CD2 4.11Å; T303-L308 HydrophobicContact CG2-CG 3.85Å; S304-L308 PolarHBondContact O-N 2.74Å; L308-L311 PolarHBondContact O-N 3.48Å; L308-F312 HydrophobicContact CD2-CE2 4.07Å; L308-F312 WeakPolarHBondContact O-CD2 3.47Å; L308-F312 PolarHBondContact O-N 3.26Å; L308-I321 HydrophobicContact CB-CD1 4.11Å; L308-I321 HydrophobicContact CB-CG2 4.49Å; L308-I321 HydrophobicContact CD1-CG2 4.17Å; L308-T323 HydrophobicContact CD1-CG2 3.98Å; L308-L361 HydrophobicContact CD2-CD1 4.28Å
309K90.4Very high87.7Confident96 Ų9668.4 Ų68.442%0.41734%0.343SS..Hα-helixtrans-59.4-50.6177.4-168178178179.90111T305 E306 Q307 L311 F312 Q313 V318 I321T305-K309 WeakPolarHBondContact O-CB 3.23Å; T305-K309 PolarHBondContact O-N 3.39Å; E306-K309 WeakPolarHBondContact O-CB 3.5Å; E306-K309 PolarHBondContact O-N 3.08Å; E306-K309 VanDerWaalsContact O-N 3.16Å; Q307-K309 VanDerWaalsContact C-N 3.3Å; Q307-K309 PolarHBondContact O-N 3.03Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-L311 PolarHBondContact O-N 3.39Å; K309-F312 PolarHBondContact O-N 3.49Å; K309-Q313 WeakPolarHBondContact O-CA 3.25Å; K309-Q313 WeakPolarHBondContact O-CB 3.44Å; K309-Q313 PolarHBondContact O-N 3.18Å; K309-V318 HydrophobicContact CG-CB 4.4Å; K309-I321 HydrophobicContact CB-CD1 3.59Å; K309-I321 HydrophobicContact CG-CD1 4.25Å
310E89.4Confident87.9Confident154 Ų15473.8 Ų73.872%0.7237%0.366SS*.Hα-helixtrans-60.3-41.3-179.9-168.1172.1-168.600112.2E306 Q307E306-E310 PolarHBondContact O-N 3.14Å; Q307-E310 PolarHBondContact O-N 2.77Å
311L89.1Confident88.4Confident37 Ų3775 Ų7519%0.19437%0.372CS..Hα-helixtrans-62.8-44.1176.9-80158.1000113.3Q307 L308 K309 R314 V356Q307-L311 WeakPolarHBondContact O-CB 3.33Å; Q307-L311 WeakPolarHBondContact O-CD1 3.48Å; Q307-L311 WeakPolarHBondContact O-CG 3.28Å; Q307-L311 PolarHBondContact O-N 2.82Å; L308-L311 PolarHBondContact O-N 3.48Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-L311 PolarHBondContact O-N 3.39Å; L311-R314 WeakPolarHBondContact O-CG 3.02Å; L311-R314 PolarHBondContact O-NE 2.78Å; L311-V356 HydrophobicContact CD1-CG2 3.32Å
312F90.5Very high89Confident0 Ų072 Ų720%036%0.361CS..Hα-helixtrans-91.9-21.4-173.6-74.3-67.2000113.3L294 V296 L308 K309 R314 H315 V318 V336 Y338 Y354 L361 V363L294-F312 HydrophobicContact CD1-CD1 3.92Å; L294-F312 HydrophobicContact CD1-CE1 3.94Å; V296-F312 HydrophobicContact CG1-CE2 4.24Å; V296-F312 HydrophobicContact CG1-CZ 4.11Å; V296-F312 HydrophobicContact CG2-CE1 4.46Å; V296-F312 HydrophobicContact CG2-CE2 3.87Å; V296-F312 HydrophobicContact CG2-CZ 3.67Å; L308-F312 HydrophobicContact CD2-CE2 4.07Å; L308-F312 WeakPolarHBondContact O-CD2 3.47Å; L308-F312 PolarHBondContact O-N 3.26Å; K309-F312 PolarHBondContact O-N 3.49Å; F312-R314 PolarHBondContact O-N 2.87Å; F312-R314 VanDerWaalsContact O-N 3.16Å; F312-H315 PolarHBondContact O-N 3.47Å; F312-V318 HydrophobicContact CB-CG2 4.1Å; F312-V336 HydrophobicContact CB-CG1 3.96Å; F312-V336 HydrophobicContact CD2-CG1 4.33Å; F312-V336 HydrophobicContact CD2-CG2 3.8Å; F312-V336 HydrophobicContact CE2-CG2 4.08Å; F312-V336 HydrophobicContact CG-CG1 4.17Å; F312-V336 HydrophobicContact CG-CG2 4.38Å; F312-Y338 WeakPolarHBondContact CB-OH 3.01Å; F312-Y338 WeakPolarHBondContact O-CE1 3.34Å; F312-Y338 PolarHBondContact O-OH 3.31Å; F312-Y354 HydrophobicContact CD1-CE1 4.3Å; F312-Y354 HydrophobicContact CE1-CD1 4.24Å; F312-Y354 HydrophobicContact CE1-CD2 4.17Å; F312-Y354 HydrophobicContact CE1-CE1 4.08Å; F312-Y354 AromaticContact CE1-CE2 3.98Å; F312-Y354 HydrophobicContact CE1-CE2 3.98Å; F312-Y354 HydrophobicContact CE1-CG 4.28Å; F312-Y354 AromaticContact CE1-CZ 3.94Å; F312-Y354 HydrophobicContact CZ-CG 4.41Å; F312-L361 HydrophobicContact CE2-CD1 4.45Å; F312-L361 HydrophobicContact CZ-CD1 4.43Å; F312-V363 HydrophobicContact CE1-CG1 4.15Å; F312-V363 HydrophobicContact CE1-CG2 3.97Å; F312-V363 HydrophobicContact CZ-CG2 3.79Å
313Q91.5Very high89.4Confident100 Ų10066.9 Ų66.947%0.46734%0.335SS..Hα-helixtrans-64.5-19.5179.6-175.8168-4.300112.8K309 H315 G316 V318K309-Q313 WeakPolarHBondContact O-CA 3.25Å; K309-Q313 WeakPolarHBondContact O-CB 3.44Å; K309-Q313 PolarHBondContact O-N 3.18Å; Q313-H315 PolarHBondContact O-N 2.83Å; Q313-G316 CarbonylContact C-O 3.53Å; Q313-G316 WeakPolarHBondContact CA-O 2.83Å; Q313-G316 PolarHBondContact O-N 2.94Å; Q313-G316 VanDerWaalsContact O-O 3.06Å; Q313-V318 HydrophobicContact CB-CG2 4.35Å
314R89.3Confident89.4Confident123 Ų12367.5 Ų67.546%0.46434%0.34SS..THydrogen-bonded Turntrans-59.5-26.117480.1176.299.8169.72.3113.9L311 F312 E352L311-R314 WeakPolarHBondContact O-CG 3.02Å; L311-R314 PolarHBondContact O-NE 2.78Å; F312-R314 PolarHBondContact O-N 2.87Å; F312-R314 VanDerWaalsContact O-N 3.16Å; R314-E352 IonicContact NH1-OE2 3.99Å; R314-E352 PolarHBondContact NH1-OE2 3.12Å; R314-E352 VanDerWaalsContact NH1-OE2 3.16Å
315H89.6Confident88.7Confident30 Ų3071 Ų7114%0.13936%0.362CS..THydrogen-bonded Turntrans-94-10.4-179.9-58.9-71.5000113.5F312 Q313 Y338 S343 K346 A347 D350 Y354F312-H315 PolarHBondContact O-N 3.47Å; Q313-H315 PolarHBondContact O-N 2.83Å; H315-Y338 HydrophobicContact CB-CE1 4.43Å; H315-S343 WeakPolarHBondContact O-CA 3.39Å; H315-S343 VanDerWaalsContact O-CB 3.25Å; H315-S343 WeakPolarHBondContact O-CB 3.34Å; H315-S343 PolarHBondContact O-OG 3.44Å; H315-S343 VanDerWaalsContact O-OG 3.09Å; H315-K346 HydrophobicContact CB-CB 4.28Å; H315-A347 HydrophobicContact CB-CB 4.15Å; H315-D350 IonicContact CE1-OD2 3.16Å; H315-D350 PolarHBondContact CE1-OD2 3.27Å; H315-D350 IonicContact NE2-OD2 3.02Å; H315-D350 PolarHBondContact NE2-OD2 3.22Å; H315-Y354 PolarHBondContact CD2-OH 3.37Å; H315-Y354 PolarHBondContact CE1-OH 3.02Å; H315-Y354 AromaticContact NE2-CE1 3.69Å; H315-Y354 AromaticContact NE2-CZ 3.58Å; H315-Y354 PolarHBondContact NE2-OH 2.83Å
316G89.8Confident87.6Confident22 Ų2268.5 Ų68.523%0.22735%0.35CS..SBendtrans152.4-175.3178.900000113.5Q313 V318 S343Q313-G316 CarbonylContact C-O 3.53Å; Q313-G316 WeakPolarHBondContact CA-O 2.83Å; Q313-G316 PolarHBondContact O-N 2.94Å; Q313-G316 VanDerWaalsContact O-O 3.06Å; G316-V318 PolarHBondContact O-N 2.95Å; G316-S343 WeakPolarHBondContact CA-OG 3.21Å
317E92.9Very high86.1Confident134 Ų13472.2 Ų72.263%0.62636%0.363SS*.  trans-71.9116.1-176.1-172.6179.5170.700112.1Y338 A339E317-Y338 CarbonylContact O-C 3.56Å; E317-Y338 WeakPolarHBondContact O-CA 3.39Å; E317-Y338 WeakPolarHBondContact O-CD1 3.49Å; E317-A339 HydrophobicContact CB-CB 4.14Å; E317-A339 PolarHBondContact O-N 2.96Å
318V93.2Very high84.8Confident11 Ų1172.4 Ų72.47%0.06739%0.386CS..EExtended strand (participates in β ladder)trans-86.1114.3174.8178.70000109.5K309 F312 Q313 G316 I321 V336 H337 Y338K309-V318 HydrophobicContact CG-CB 4.4Å; F312-V318 HydrophobicContact CB-CG2 4.1Å; Q313-V318 HydrophobicContact CB-CG2 4.35Å; G316-V318 PolarHBondContact O-N 2.95Å; V318-I321 HydrophobicContact CG1-CD1 3.98Å; V318-I321 HydrophobicContact CG1-CG1 3.66Å; V318-V336 HydrophobicContact CG1-CG1 3.73Å; V318-V336 HydrophobicContact CG2-CG1 4.08Å; V318-H337 CarbonylContact C-O 3.54Å; V318-H337 WeakPolarHBondContact CA-O 3.3Å; V318-Y338 HydrophobicContact CG2-CD1 4.15Å; V318-Y338 HydrophobicContact CG2-CE1 3.73Å
319T91.8Very high83.4Confident83 Ų8374.6 Ų74.651%0.50941%0.409SS..EExtended strand (participates in β ladder)trans-86.9-34.5-177.253.70000112.8H337 A339T319-H337 PolarHBondContact N-O 3.14Å; T319-H337 WeakPolarHBondContact OG1-CB 3.43Å; T319-H337 PolarHBondContact OG1-O 3.3Å; T319-A339 HydrophobicContact CG2-CB 3.8Å
320K91.2Very high82Confident123 Ų12377.1 Ų77.154%0.53542%0.42SS..EExtended strand (participates in β ladder)trans-153.7139.8-176.5-170.3-180-176.71760111.7V322 H337K320-V322 HydrophobicContact CD-CG2 4.03Å; K320-V322 HydrophobicContact CG-CG2 3.97Å; K320-H337 HydrophobicContact CB-CB 3.93Å; K320-H337 PolarHBondContact N-O 2.58Å; K320-H337 PolarHBondContact O-N 3.21Å
321I92.3Very high80.9Confident37 Ų3776.3 Ų76.319%0.1941%0.41CS..EExtended strand (participates in β ladder)trans-122.7128.8170.7-59.4175.2000108.2T305 L308 K309 V318 F335 V336T305-I321 HydrophobicContact CG2-CG2 4.13Å; T305-I321 VanDerWaalsContact O-CD1 3.28Å; T305-I321 WeakPolarHBondContact O-CD1 3.22Å; L308-I321 HydrophobicContact CB-CD1 4.11Å; L308-I321 HydrophobicContact CB-CG2 4.49Å; L308-I321 HydrophobicContact CD1-CG2 4.17Å; K309-I321 HydrophobicContact CB-CD1 3.59Å; K309-I321 HydrophobicContact CG-CD1 4.25Å; V318-I321 HydrophobicContact CG1-CD1 3.98Å; V318-I321 HydrophobicContact CG1-CG1 3.66Å; I321-F335 CarbonylContact C-O 3.52Å; I321-F335 WeakPolarHBondContact CA-O 3.43Å; I321-V336 HydrophobicContact CG1-CG1 4.43Å; I321-V336 HydrophobicContact CG1-CG2 4.49Å
322V89.3Confident80.5Confident50 Ų5078.4 Ų78.430%0.30342%0.421SS..EExtended strand (participates in β ladder)trans-126.2113.8179.1-1760000108.8K320 P324 G334 F335K320-V322 HydrophobicContact CD-CG2 4.03Å; K320-V322 HydrophobicContact CG-CG2 3.97Å; V322-P324 HydrophobicContact CG1-CG 4.31Å; V322-P324 WeakPolarHBondContact O-CD 3.15Å; V322-G334 CarbonylContact O-C 3.51Å; V322-G334 WeakPolarHBondContact O-CA 3.39Å; V322-F335 HydrophobicContact CB-CB 4.36Å; V322-F335 PolarHBondContact N-O 3.48Å; V322-F335 PolarHBondContact O-N 3.38Å
323T86.8Confident80.4Confident39 Ų3980.8 Ų80.824%0.23943%0.432CS..  trans-111.795.6171.436.80000108.8I299 L308I299-T323 HydrophobicContact CD1-CG2 4.16Å; L308-T323 HydrophobicContact CD1-CG2 3.98Å
324P82.3Confident80.4Confident35 Ų3576.1 Ų76.123%0.22741%0.41CS..PPolyproline II helixtrans-62.3142.9179.5-2133.9000111V322 G326 F333 F335V322-P324 HydrophobicContact CG1-CG 4.31Å; V322-P324 WeakPolarHBondContact O-CD 3.15Å; P324-G326 PolarHBondContact O-N 3.34Å; P324-F333 HydrophobicContact CB-CE2 4.25Å; P324-F333 HydrophobicContact CB-CZ 4.2Å; P324-F333 HydrophobicContact CG-CD2 4.5Å; P324-F333 HydrophobicContact CG-CE2 3.74Å; P324-F333 HydrophobicContact CG-CZ 4.2Å; P324-F335 HydrophobicContact CG-CD2 4.34Å; P324-F335 HydrophobicContact CG-CE2 4.13Å
325P71.9Confident80.6Confident121 Ų12172.1 Ų72.179%0.78640%0.396SS*.PPolyproline II helixtrans-65.9122.7169.927-31.5000109.2
326G64Low80.7Confident16 Ų1670.8 Ų70.817%0.16539%0.39CS..PPolyproline II helixtrans-73.5157-179.400000113.2P324 G328 G329 K330P324-G326 PolarHBondContact O-N 3.34Å; G326-G328 PolarHBondContact O-N 3.44Å; G326-G329 PolarHBondContact O-N 3.04Å; G326-G329 VanDerWaalsContact O-N 3.16Å; G326-K330 WeakPolarHBondContact CA-O 3.42Å; G326-K330 PolarHBondContact N-O 3.12Å
327K55.5Low80.9Confident227 Ų22772.2 Ų72.299%0.98739%0.391SS*.THydrogen-bonded Turntrans-63.3106.8172-89.2-177.1175.5175.30109
328G62.2Low81Confident81 Ų8166 Ų6684%0.83536%0.362SS*.THydrogen-bonded Turntrans101.213.4-179.800000115.4G326 K330G326-G328 PolarHBondContact O-N 3.44Å; G328-K330 PolarHBondContact O-N 3.34Å
329G58.7Low80.9Confident47 Ų4767.1 Ų67.149%0.48537%0.372SS..SBendtrans95-20.5171.300000115.4G326 R331G326-G329 PolarHBondContact O-N 3.04Å; G326-G329 VanDerWaalsContact O-N 3.16Å; G329-R331 PolarHBondContact O-N 3.37Å
330K59.8Low80.8Confident150 Ų15068.8 Ų68.865%0.65237%0.374SS*.  trans-73.4125.5178.2-67.6-174.8177-171.90111.1G326 G328G326-K330 WeakPolarHBondContact CA-O 3.42Å; G326-K330 PolarHBondContact N-O 3.12Å; G328-K330 PolarHBondContact O-N 3.34Å
331R67.4Low80.8Confident137 Ų13767.6 Ų67.652%0.51737%0.366SS..  trans-98.279.9173.5-59.3-179-140.4-145.23.9109.1G329G329-R331 PolarHBondContact O-N 3.37Å
332D80Confident80.7Confident80 Ų8068 Ų6843%0.42837%0.372SS..  trans-96.1-5.7-172.755.8-26.1000113.8K297 N298 I299K297-D332 CarbonylContact C-O 3.52Å; K297-D332 WeakPolarHBondContact CA-O 3.44Å; N298-D332 PolarHBondContact N-O 3.09Å; I299-D332 PolarHBondContact N-O 3.25Å
333F89.5Confident80.8Confident51 Ų5166 Ų6622%0.22436%0.361CS..EExtended strand (participates in β ladder)trans-149.2163.8177.570.9-84000113.7Y295 V296 P324 F335Y295-F333 HydrophobicContact CD2-CD2 4.46Å; Y295-F333 HydrophobicContact CE2-CB 3.81Å; Y295-F333 AromaticContact CE2-CD2 3.63Å; Y295-F333 HydrophobicContact CE2-CD2 3.63Å; Y295-F333 HydrophobicContact CE2-CE2 4.5Å; Y295-F333 AromaticContact CE2-CG 3.94Å; Y295-F333 HydrophobicContact CE2-CG 3.94Å; V296-F333 CarbonylContact O-C 3.44Å; V296-F333 WeakPolarHBondContact O-CA 3.24Å; V296-F333 WeakPolarHBondContact O-CB 3.24Å; P324-F333 HydrophobicContact CB-CE2 4.25Å; P324-F333 HydrophobicContact CB-CZ 4.2Å; P324-F333 HydrophobicContact CG-CD2 4.5Å; P324-F333 HydrophobicContact CG-CE2 3.74Å; P324-F333 HydrophobicContact CG-CZ 4.2Å; F333-F335 HydrophobicContact CD2-CE2 4.08Å; F333-F335 HydrophobicContact CD2-CZ 4.47Å; F333-F335 AromaticContact CE2-CE2 3.9Å; F333-F335 HydrophobicContact CE2-CE2 3.9Å; F333-F335 HydrophobicContact CE2-CZ 4.38Å
334G90.7Very high81Confident1 Ų164.1 Ų64.11%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-158.8175.617800000112.3V296 V322V296-G334 PolarHBondContact N-O 3.17Å; V296-G334 PolarHBondContact O-N 3.03Å; V322-G334 CarbonylContact O-C 3.51Å; V322-G334 WeakPolarHBondContact O-CA 3.39Å
335F93Very high81.3Confident40 Ų4066 Ų6618%0.17536%0.357CS..EExtended strand (participates in β ladder)trans-126.6135.1179.1-59.8-88000109.9L294 Y295 I321 V322 P324 F333 A366L294-F335 CarbonylContact O-C 3.53Å; L294-F335 WeakPolarHBondContact O-CA 3.39Å; Y295-F335 HydrophobicContact CD2-CD1 4.24Å; Y295-F335 AromaticContact CD2-CE1 3.63Å; Y295-F335 HydrophobicContact CD2-CE1 3.63Å; Y295-F335 AromaticContact CD2-CZ 3.88Å; Y295-F335 HydrophobicContact CD2-CZ 3.88Å; Y295-F335 HydrophobicContact CE2-CE1 4.47Å; Y295-F335 HydrophobicContact CE2-CZ 4.3Å; Y295-F335 HydrophobicContact CG-CE1 4.48Å; I321-F335 CarbonylContact C-O 3.52Å; I321-F335 WeakPolarHBondContact CA-O 3.43Å; V322-F335 HydrophobicContact CB-CB 4.36Å; V322-F335 PolarHBondContact N-O 3.48Å; V322-F335 PolarHBondContact O-N 3.38Å; P324-F335 HydrophobicContact CG-CD2 4.34Å; P324-F335 HydrophobicContact CG-CE2 4.13Å; F333-F335 HydrophobicContact CD2-CE2 4.08Å; F333-F335 HydrophobicContact CD2-CZ 4.47Å; F333-F335 AromaticContact CE2-CE2 3.9Å; F333-F335 HydrophobicContact CE2-CE2 3.9Å; F333-F335 HydrophobicContact CE2-CZ 4.38Å; F335-A366 HydrophobicContact CD1-CB 4.13Å; F335-A366 HydrophobicContact CE1-CB 4.4Å
336V93.2Very high82.2Confident1 Ų166.4 Ų66.41%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-122.1116178.8-178.40000108.2A293 L294 V296 F312 V318 I321 Y338A293-V336 CarbonylContact C-O 3.57Å; A293-V336 VanDerWaalsContact CA-O 3.24Å; A293-V336 WeakPolarHBondContact CA-O 3.42Å; L294-V336 HydrophobicContact CB-CB 4.31Å; L294-V336 PolarHBondContact N-O 3.41Å; L294-V336 PolarHBondContact O-N 3.3Å; V296-V336 HydrophobicContact CG2-CG2 3.89Å; F312-V336 HydrophobicContact CB-CG1 3.96Å; F312-V336 HydrophobicContact CD2-CG1 4.33Å; F312-V336 HydrophobicContact CD2-CG2 3.8Å; F312-V336 HydrophobicContact CE2-CG2 4.08Å; F312-V336 HydrophobicContact CG-CG1 4.17Å; F312-V336 HydrophobicContact CG-CG2 4.38Å; V318-V336 HydrophobicContact CG1-CG1 3.73Å; V318-V336 HydrophobicContact CG2-CG1 4.08Å; I321-V336 HydrophobicContact CG1-CG1 4.43Å; I321-V336 HydrophobicContact CG1-CG2 4.49Å; V336-Y338 HydrophobicContact CG1-CE2 4.48Å
337H93.1Very high83.4Confident53 Ų5365.8 Ų65.825%0.24534%0.339CS..EExtended strand (participates in β ladder)trans-97.2131.4179.6-63.1-113.5000109.9V318 T319 K320V318-H337 CarbonylContact C-O 3.54Å; V318-H337 WeakPolarHBondContact CA-O 3.3Å; T319-H337 PolarHBondContact N-O 3.14Å; T319-H337 WeakPolarHBondContact OG1-CB 3.43Å; T319-H337 PolarHBondContact OG1-O 3.3Å; K320-H337 HydrophobicContact CB-CB 3.93Å; K320-H337 PolarHBondContact N-O 2.58Å; K320-H337 PolarHBondContact O-N 3.21Å
338Y94.4Very high85Confident4 Ų457.6 Ų57.62%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-98.6157.3170.5-74.9-78.9000111.5K292 L294 F312 H315 E317 V318 V336 E340 A344 A347K292-Y338 WeakPolarHBondContact CB-O 3.43Å; K292-Y338 PolarHBondContact O-N 3.47Å; L294-Y338 HydrophobicContact CD1-CE2 3.66Å; L294-Y338 HydrophobicContact CG-CD2 4.46Å; L294-Y338 HydrophobicContact CG-CE2 4.03Å; F312-Y338 WeakPolarHBondContact CB-OH 3.01Å; F312-Y338 WeakPolarHBondContact O-CE1 3.34Å; F312-Y338 PolarHBondContact O-OH 3.31Å; H315-Y338 HydrophobicContact CB-CE1 4.43Å; E317-Y338 CarbonylContact O-C 3.56Å; E317-Y338 WeakPolarHBondContact O-CA 3.39Å; E317-Y338 WeakPolarHBondContact O-CD1 3.49Å; V318-Y338 HydrophobicContact CG2-CD1 4.15Å; V318-Y338 HydrophobicContact CG2-CE1 3.73Å; V336-Y338 HydrophobicContact CG1-CE2 4.48Å; Y338-E340 VanDerWaalsContact C-N 3.29Å; Y338-E340 VanDerWaalsContact CB-O 3.23Å; Y338-E340 WeakPolarHBondContact CB-O 3.48Å; Y338-A344 HydrophobicContact CD2-CB 3.84Å; Y338-A344 HydrophobicContact CE2-CB 4.44Å; Y338-A347 HydrophobicContact CE2-CB 4.24Å
339A91.2Very high86Confident34 Ų3462.5 Ų62.528%0.28131%0.307SS..SBendtrans-64.9-37.5167.900000111.4K292 E317 T319K292-A339 WeakPolarHBondContact CD-O 3.04Å; K292-A339 PolarHBondContact NZ-O 2.88Å; E317-A339 HydrophobicContact CB-CB 4.14Å; E317-A339 PolarHBondContact O-N 2.96Å; T319-A339 HydrophobicContact CG2-CB 3.8Å
340E90.6Very high87Confident117 Ų11762.4 Ų62.455%0.54730%0.295SS..SBendtrans-120.5146.3-176.8-62.7-174.3-173.100112.5Y338 S342 S343Y338-E340 VanDerWaalsContact C-N 3.29Å; Y338-E340 VanDerWaalsContact CB-O 3.23Å; Y338-E340 WeakPolarHBondContact CB-O 3.48Å; E340-S342 VanDerWaalsContact C-N 3.3Å; E340-S342 WeakPolarHBondContact CB-OG 3.18Å; E340-S342 PolarHBondContact OE2-OG 2.85Å; E340-S343 PolarHBondContact O-N 3.39Å
341R90.2Very high87.1Confident98 Ų9861.9 Ų61.937%0.3731%0.305SS..Hα-helixtrans-67.1-33.8172.8179.8174.2-178.1-134.52.3112.1A289 K292 S343 A344 L345A289-R341 WeakPolarHBondContact O-CD 3.32Å; A289-R341 PolarHBondContact O-NE 3.04Å; A289-R341 PolarHBondContact O-NH1 3.01Å; K292-R341 HydrophobicContact CG-CB 4.29Å; R341-S343 PolarHBondContact O-N 2.96Å; R341-A344 WeakPolarHBondContact O-CB 3.47Å; R341-A344 PolarHBondContact O-N 2.87Å; R341-A344 VanDerWaalsContact O-N 3.09Å; R341-L345 HydrophobicContact CG-CD1 4.16Å; R341-L345 HydrophobicContact CG-CG 4.26Å; R341-L345 PolarHBondContact O-N 2.86Å
342S90.4Very high87.1Confident46 Ų4661.1 Ų61.132%0.32231%0.307SS..Hα-helixtrans-51.7-43177.265.90000111.2E340 L345 K346E340-S342 VanDerWaalsContact C-N 3.3Å; E340-S342 WeakPolarHBondContact CB-OG 3.18Å; E340-S342 PolarHBondContact OE2-OG 2.85Å; S342-L345 PolarHBondContact O-N 3.18Å; S342-K346 WeakPolarHBondContact O-CG 3.5Å; S342-K346 PolarHBondContact O-N 2.96Å
343S93.1Very high87.1Confident8 Ų866.9 Ų66.96%0.05632%0.323CS..Hα-helixtrans-67.4-41.5177.6-56.80000113H315 G316 E340 R341 K346 A347H315-S343 WeakPolarHBondContact O-CA 3.39Å; H315-S343 VanDerWaalsContact O-CB 3.25Å; H315-S343 WeakPolarHBondContact O-CB 3.34Å; H315-S343 PolarHBondContact O-OG 3.44Å; H315-S343 VanDerWaalsContact O-OG 3.09Å; G316-S343 WeakPolarHBondContact CA-OG 3.21Å; E340-S343 PolarHBondContact O-N 3.39Å; R341-S343 PolarHBondContact O-N 2.96Å; S343-K346 PolarHBondContact O-N 3Å; S343-A347 PolarHBondContact O-N 3.03Å
344A90.2Very high86.8Confident0 Ų065 Ų650%031%0.314CS..Hα-helixtrans-62.8-42.8175.600000111.5L294 Y338 R341 A347 V348 L365L294-A344 HydrophobicContact CD2-CB 4.09Å; Y338-A344 HydrophobicContact CD2-CB 3.84Å; Y338-A344 HydrophobicContact CE2-CB 4.44Å; R341-A344 WeakPolarHBondContact O-CB 3.47Å; R341-A344 PolarHBondContact O-N 2.87Å; R341-A344 VanDerWaalsContact O-N 3.09Å; A344-A347 PolarHBondContact O-N 2.77Å; A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 3.49Å; A344-V348 VanDerWaalsContact O-N 3.12Å; A344-L365 HydrophobicContact CB-CD2 4.24Å
345L88.8Confident86.5Confident74 Ų7470.2 Ų70.239%0.38734%0.338SS..Hα-helixtrans-65.2-41.6176.8-69.2173.6000112.2R341 S342 A347 V348 K349 L365R341-L345 HydrophobicContact CG-CD1 4.16Å; R341-L345 HydrophobicContact CG-CG 4.26Å; R341-L345 PolarHBondContact O-N 2.86Å; S342-L345 PolarHBondContact O-N 3.18Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 2.76Å; L345-V348 PolarHBondContact O-N 3.16Å; L345-K349 VanDerWaalsContact O-CB 3.28Å; L345-K349 WeakPolarHBondContact O-CB 3.38Å; L345-K349 PolarHBondContact O-N 2.78Å; L345-L365 HydrophobicContact CD2-CD1 4.12Å
346K90.1Very high86Confident130 Ų13068.7 Ų68.757%0.56533%0.332SS*.Hα-helixtrans-58.5-43.2174.6-76.8173.8-177.21770111.5H315 S342 S343 D350H315-K346 HydrophobicContact CB-CB 4.28Å; S342-K346 WeakPolarHBondContact O-CG 3.5Å; S342-K346 PolarHBondContact O-N 2.96Å; S343-K346 PolarHBondContact O-N 3Å; K346-D350 PolarHBondContact O-N 2.65Å
347A89.7Confident85.4Confident2 Ų274 Ų742%0.01736%0.361CS..Hα-helixtrans-68.9-33.3-179.900000113.6L294 H315 Y338 S343 A344 L345 Y354L294-A347 HydrophobicContact CD1-CB 3.73Å; H315-A347 HydrophobicContact CB-CB 4.15Å; Y338-A347 HydrophobicContact CE2-CB 4.24Å; S343-A347 PolarHBondContact O-N 3.03Å; A344-A347 PolarHBondContact O-N 2.77Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 2.76Å; A347-Y354 VanDerWaalsContact CA-OH 3.3Å; A347-Y354 WeakPolarHBondContact CA-OH 3.28Å; A347-Y354 WeakPolarHBondContact O-CE2 3.49Å; A347-Y354 PolarHBondContact O-OH 2.83Å; A347-Y354 VanDerWaalsContact O-OH 3.07Å
348V88.5Confident84.7Confident56 Ų5674.5 Ų74.534%0.33938%0.38SS..Hα-helixtrans-77.6-35.9176.2175.90000112L294 A344 L345 D350 V363 L365L294-V348 HydrophobicContact CD2-CG2 3.46Å; L294-V348 VanDerWaalsContact CD2-CG2 3.46Å; A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 3.49Å; A344-V348 VanDerWaalsContact O-N 3.12Å; L345-V348 PolarHBondContact O-N 3.16Å; V348-D350 VanDerWaalsContact C-N 3.25Å; V348-V363 HydrophobicContact CG2-CG1 4.39Å; V348-L365 HydrophobicContact CG2-CG 4.3Å
349K84.6Confident84.1Confident183 Ų18378.4 Ų78.480%0.79640%0.399SS*.Hα-helixtrans-79.1-11.9179.6-164.1172.7-178.31800112.5L345 T351L345-K349 VanDerWaalsContact O-CB 3.28Å; L345-K349 WeakPolarHBondContact O-CB 3.38Å; L345-K349 PolarHBondContact O-N 2.78Å; K349-T351 PolarHBondContact O-N 3.07Å
350D79.6Confident83.9Confident46 Ų4679.4 Ų79.425%0.24640%0.402CS..  trans-59.1126.6178.2-161.6-1.7000109.9H315 K346 V348 E352H315-D350 IonicContact CE1-OD2 3.16Å; H315-D350 PolarHBondContact CE1-OD2 3.27Å; H315-D350 IonicContact NE2-OD2 3.02Å; H315-D350 PolarHBondContact NE2-OD2 3.22Å; K346-D350 PolarHBondContact O-N 2.65Å; V348-D350 VanDerWaalsContact C-N 3.25Å; D350-E352 PolarHBondContact OD1-N 2.67Å
351T61.8Low83.8Confident139 Ų13974.5 Ų74.585%0.85338%0.38SS*.  trans-77.6-16.1178.843.70000111.9K349 R353K349-T351 PolarHBondContact O-N 3.07Å; T351-R353 PolarHBondContact O-N 3.47Å
352E67Low83.6Confident121 Ų12174.4 Ų74.457%0.56538%0.383SS*.SBendtrans-72.7123.5172.9-72.7-169.1168.200111.1R314 D350 Y354R314-E352 IonicContact NH1-OE2 3.99Å; R314-E352 PolarHBondContact NH1-OE2 3.12Å; R314-E352 VanDerWaalsContact NH1-OE2 3.16Å; D350-E352 PolarHBondContact OD1-N 2.67Å; E352-Y354 PolarHBondContact O-N 3.47Å
353R79.1Confident83.6Confident201 Ų20173.4 Ų73.476%0.75838%0.375SS*.PPolyproline II helixtrans-68.7119.4170.1-68.2-174.9178.6-152.5-1.6108.5T351 E355T351-R353 PolarHBondContact O-N 3.47Å; R353-E355 PolarHBondContact O-N 3.24Å
354Y84.1Confident83.5Confident10 Ų1075.9 Ų75.94%0.03939%0.39CS..PPolyproline II helixtrans-64.9125168.7-59-79.9000109.1F312 H315 A347 E352 P360 L361 V363F312-Y354 HydrophobicContact CD1-CE1 4.3Å; F312-Y354 HydrophobicContact CE1-CD1 4.24Å; F312-Y354 HydrophobicContact CE1-CD2 4.17Å; F312-Y354 HydrophobicContact CE1-CE1 4.08Å; F312-Y354 AromaticContact CE1-CE2 3.98Å; F312-Y354 HydrophobicContact CE1-CE2 3.98Å; F312-Y354 HydrophobicContact CE1-CG 4.28Å; F312-Y354 AromaticContact CE1-CZ 3.94Å; F312-Y354 HydrophobicContact CZ-CG 4.41Å; H315-Y354 PolarHBondContact CD2-OH 3.37Å; H315-Y354 PolarHBondContact CE1-OH 3.02Å; H315-Y354 AromaticContact NE2-CE1 3.69Å; H315-Y354 AromaticContact NE2-CZ 3.58Å; H315-Y354 PolarHBondContact NE2-OH 2.83Å; A347-Y354 VanDerWaalsContact CA-OH 3.3Å; A347-Y354 WeakPolarHBondContact CA-OH 3.28Å; A347-Y354 WeakPolarHBondContact O-CE2 3.49Å; A347-Y354 PolarHBondContact O-OH 2.83Å; A347-Y354 VanDerWaalsContact O-OH 3.07Å; E352-Y354 PolarHBondContact O-N 3.47Å; Y354-P360 CarbonylContact O-C 3.55Å; Y354-P360 WeakPolarHBondContact O-CA 3.5Å; Y354-L361 PolarHBondContact O-N 3.16Å; Y354-V363 HydrophobicContact CD2-CB 4.3Å; Y354-V363 HydrophobicContact CD2-CG2 3.52Å; Y354-V363 HydrophobicContact CE2-CB 4.38Å; Y354-V363 HydrophobicContact CE2-CG2 3.98Å; Y354-V363 HydrophobicContact CG-CG2 4.36Å
355E84.9Confident83.5Confident111 Ų11178.9 Ų78.952%0.51941%0.405SS..EExtended strand (participates in β ladder)trans-125.5136.1177.1-66.8-171.4168.700110.2R353 Q359 P360R353-E355 PolarHBondContact O-N 3.24Å; E355-Q359 WeakPolarHBondContact CA-O 3.47Å; E355-P360 HydrophobicContact CG-CB 4.26Å
356V81.8Confident83.5Confident8 Ų875.7 Ų75.75%0.04839%0.39CS..EExtended strand (participates in β ladder)trans-129.2122.8175.1-1710000108.3P300 T303 L311 G358 Q359 L361P300-V356 HydrophobicContact CG-CB 4.03Å; P300-V356 HydrophobicContact CG-CG1 4.19Å; P300-V356 WeakPolarHBondContact CG-O 3.49Å; T303-V356 HydrophobicContact CG2-CG1 3.92Å; T303-V356 VanDerWaalsContact OG1-CG1 3.26Å; T303-V356 WeakPolarHBondContact OG1-CG1 3.21Å; L311-V356 HydrophobicContact CD1-CG2 3.32Å; V356-G358 PolarHBondContact O-N 3.21Å; V356-Q359 PolarHBondContact N-O 2.78Å; V356-Q359 PolarHBondContact O-N 3.18Å; V356-L361 HydrophobicContact CG2-CD1 3.68Å; V356-L361 HydrophobicContact CG2-CD2 4.26Å; V356-L361 HydrophobicContact CG2-CG 4.05Å
357N79.7Confident83.3Confident113 Ų11377.7 Ų77.760%0.60440%0.399SS*.THydrogen-bonded Turntrans53.933.6-175.1-57.3-41.1000113.5Q359N357-Q359 VanDerWaalsContact C-N 3.26Å; N357-Q359 PolarHBondContact O-N 3.16Å
358G78.6Confident82.6Confident63 Ų6379.6 Ų79.665%0.64941%0.411SS*.THydrogen-bonded Turntrans74.69.9-177.500000114.8V356V356-G358 PolarHBondContact O-N 3.21Å
359Q81.3Confident81.7Confident87 Ų8784.1 Ų84.141%0.40743%0.428SS..EExtended strand (participates in β ladder)trans-102.4125.6170.7-62.2-164.4-5800110.3P300 E355 V356 N357P300-Q359 HydrophobicContact CG-CB 4.3Å; E355-Q359 WeakPolarHBondContact CA-O 3.47Å; V356-Q359 PolarHBondContact N-O 2.78Å; V356-Q359 PolarHBondContact O-N 3.18Å; N357-Q359 VanDerWaalsContact C-N 3.26Å; N357-Q359 PolarHBondContact O-N 3.16Å
360P87.6Confident80.4Confident54 Ų5479.7 Ų79.735%0.35143%0.425SS..EExtended strand (participates in β ladder)trans-72.3129.4176.329-33.5000110.7N298 Y354 E355N298-P360 PolarHBondContact ND2-O 2.94Å; Y354-P360 CarbonylContact O-C 3.55Å; Y354-P360 WeakPolarHBondContact O-CA 3.5Å; E355-P360 HydrophobicContact CG-CB 4.26Å
361L88Confident79.2Confident15 Ų1586 Ų868%0.07945%0.453CS..PPolyproline II helixtrans-81.3144.1172.2-54.8-177.9000109.8V296 K297 N298 I299 L308 F312 Y354 V356 V363V296-L361 HydrophobicContact CG1-CB 4.17Å; V296-L361 HydrophobicContact CG1-CD1 3.93Å; V296-L361 HydrophobicContact CG1-CG 4.46Å; K297-L361 WeakPolarHBondContact O-CA 3.48Å; N298-L361 VanDerWaalsContact O-CD2 3.3Å; N298-L361 WeakPolarHBondContact O-CD2 3.33Å; I299-L361 HydrophobicContact CG1-CD2 4.26Å; L308-L361 HydrophobicContact CD2-CD1 4.28Å; F312-L361 HydrophobicContact CE2-CD1 4.45Å; F312-L361 HydrophobicContact CZ-CD1 4.43Å; Y354-L361 PolarHBondContact O-N 3.16Å; V356-L361 HydrophobicContact CG2-CD1 3.68Å; V356-L361 HydrophobicContact CG2-CD2 4.26Å; V356-L361 HydrophobicContact CG2-CG 4.05Å; L361-V363 HydrophobicContact CB-CG2 4.36Å
362E87.2Confident78.3Confident95 Ų9590.7 Ų90.744%0.44446%0.455SS..EExtended strand (participates in β ladder)trans-99.4118.4170.6-178.9-176.2-175.600107.9V296 K297 V364V296-E362 CarbonylContact C-O 3.58Å; V296-E362 WeakPolarHBondContact CA-O 3.19Å; K297-E362 HydrophobicContact CB-CB 4.16Å; K297-E362 WeakPolarHBondContact CD-OE2 3.32Å; K297-E362 PolarHBondContact N-O 2.63Å; K297-E362 IonicContact NZ-OE1 2.74Å; K297-E362 IonicContact NZ-OE2 3.43Å; K297-E362 PolarHBondContact NZ-OE2 3.14Å; K297-E362 PolarHBondContact O-N 3.16Å; E362-V364 HydrophobicContact CG-CG2 4.41Å
363V90.5Very high76.9Confident26 Ų2693.3 Ų93.316%0.15847%0.465CS..EExtended strand (participates in β ladder)trans-118.5126.4-174.2-177.60000109.4L294 V296 F312 V348 Y354 L361L294-V363 HydrophobicContact CB-CG1 4.36Å; L294-V363 HydrophobicContact CD1-CG1 3.76Å; L294-V363 HydrophobicContact CD2-CG1 4.31Å; L294-V363 HydrophobicContact CG-CG1 4.38Å; V296-V363 HydrophobicContact CG1-CG2 4.37Å; V296-V363 HydrophobicContact CG2-CG2 4.44Å; F312-V363 HydrophobicContact CE1-CG1 4.15Å; F312-V363 HydrophobicContact CE1-CG2 3.97Å; F312-V363 HydrophobicContact CZ-CG2 3.79Å; V348-V363 HydrophobicContact CG2-CG1 4.39Å; Y354-V363 HydrophobicContact CD2-CB 4.3Å; Y354-V363 HydrophobicContact CD2-CG2 3.52Å; Y354-V363 HydrophobicContact CE2-CB 4.38Å; Y354-V363 HydrophobicContact CE2-CG2 3.98Å; Y354-V363 HydrophobicContact CG-CG2 4.36Å; L361-V363 HydrophobicContact CB-CG2 4.36Å
364V89.9Confident75Confident60 Ų6091.8 Ų91.836%0.36447%0.466SS..EExtended strand (participates in β ladder)trans-144.1159.7-179.4-1290000109.4L294 Y295 E362 A366L294-V364 CarbonylContact C-O 3.45Å; L294-V364 WeakPolarHBondContact CA-O 3.38Å; Y295-V364 HydrophobicContact CD1-CG2 4.27Å; Y295-V364 PolarHBondContact N-O 3.48Å; Y295-V364 PolarHBondContact O-N 3.45Å; E362-V364 HydrophobicContact CG-CG2 4.41Å; V364-A366 PolarHBondContact O-N 2.88Å
365L90.6Very high72.9Confident62 Ų6296.3 Ų96.333%0.32549%0.491SS..EExtended strand (participates in β ladder)trans-60.9135.9170.6-83.5163.9000110.2V291 A344 L345 V348V291-L365 HydrophobicContact CB-CD2 4.45Å; V291-L365 HydrophobicContact CG1-CD2 3.94Å; A344-L365 HydrophobicContact CB-CD2 4.24Å; L345-L365 HydrophobicContact CD2-CD1 4.12Å; V348-L365 HydrophobicContact CG2-CG 4.3Å
366A89.3Confident71.1Confident8 Ų895.6 Ų95.67%0.06650%0.496CS..PPolyproline II helixtrans-66.5149.9176.400000110.4V291 A293 F335 V364V291-A366 HydrophobicContact CG1-CB 4.26Å; V291-A366 WeakPolarHBondContact CG1-O 3.41Å; A293-A366 HydrophobicContact CB-CB 3.84Å; A293-A366 VanDerWaalsContact O-CB 3.24Å; A293-A366 WeakPolarHBondContact O-CB 3.13Å; A293-A366 PolarHBondContact O-N 3.14Å; F335-A366 HydrophobicContact CD1-CB 4.13Å; F335-A366 HydrophobicContact CE1-CB 4.4Å; V364-A366 PolarHBondContact O-N 2.88Å
367K85.2Confident69.4Low172 Ų17299.7 Ų99.775%0.74853%0.525SS*.PPolyproline II helixtrans-66.2137170.3-65.6-177178.8-178.90109Q369K367-Q369 PolarHBondContact O-N 3.4Å
368P76Confident67.4Low41 Ų4199.9 Ų99.927%0.26654%0.535SS..PPolyproline II helixtrans-56.6125175.120.1-28.6000108.9A287 V291 A370A287-P368 HydrophobicContact CB-CB 3.77Å; A287-P368 HydrophobicContact CB-CG 4.16Å; V291-P368 HydrophobicContact CG2-CB 3.97Å; V291-P368 HydrophobicContact CG2-CG 4.48Å; P368-A370 PolarHBondContact O-N 3.19Å
369Q68.9Low65.6Low152 Ų152107 Ų10771%0.7154%0.544SS*.  trans-79.1115.5171.2-65.9-1654.100106.4K367 E371K367-Q369 PolarHBondContact O-N 3.4Å; Q369-E371 PolarHBondContact O-N 3.23Å; Q369-E371 VanDerWaalsContact O-N 3.08Å
370A58.5Low63.5Low89 Ų89108 Ų10874%0.73656%0.561SS**  trans-55.9118.8163.200000106.4P368 R372P368-A370 PolarHBondContact O-N 3.19Å; A370-R372 PolarHBondContact O-N 2.6Å
371E53Low61.1Low178 Ų178117.3 Ų117.383%0.83259%0.591SS**  trans-54.5107.9172.6-70.7-173.4166.700106.9Q369 K373Q369-E371 PolarHBondContact O-N 3.23Å; Q369-E371 VanDerWaalsContact O-N 3.08Å; E371-K373 PolarHBondContact O-N 2.72Å
372R43.3Very low58.8Low238 Ų238119.2 Ų119.290%0.89861%0.614SS**  trans-70.993.6163.7-68.3-158.6-175.5-167.22.3104.7A370 H374A370-R372 PolarHBondContact O-N 2.6Å; R372-H374 PolarHBondContact O-N 2.99Å
373K38.2Very low56.5Low176 Ų176119.5 Ų119.577%0.76563%0.633SS**  trans-45.6114.7158.8-80.3-172.9174.8-1760105.4E371 D375E371-K373 PolarHBondContact O-N 2.72Å; K373-D375 PolarHBondContact O-N 2.86Å
374H37.9Very low54Low170 Ų170123.3 Ų123.379%0.78767%0.667SS**  trans-70.191.4177.9-175.158.1000105.8R372 P376R372-H374 PolarHBondContact O-N 2.99Å; H374-P376 WeakPolarHBondContact O-CD 3.46Å
375D40.8Very low51.7Low104 Ų104126.2 Ų126.256%0.55669%0.687SS**  trans-62.2112.5168-168.7-12.7000106.9K373 S377K373-D375 PolarHBondContact O-N 2.86Å; D375-S377 PolarHBondContact O-N 2.92Å; D375-S377 VanDerWaalsContact OD1-CB 3.22Å; D375-S377 WeakPolarHBondContact OD1-CB 3.42Å; D375-S377 PolarHBondContact OD1-N 2.85Å; D375-S377 PolarHBondContact OD1-OG 2.94Å
376P47.5Very low49.6Very low96 Ų96129.6 Ų129.662%0.62371%0.711SS**THydrogen-bonded Turntrans-64.2-3.9-178.5-16.330.9000112.8H374 S378H374-P376 WeakPolarHBondContact O-CD 3.46Å; P376-S378 PolarHBondContact O-N 2.81Å
377S46.1Very low47.2Very low94 Ų94135.4 Ų135.466%0.65775%0.747SS**THydrogen-bonded Turntrans-77.7-7.4-173.1-48.80000115.7D375 Y379D375-S377 PolarHBondContact O-N 2.92Å; D375-S377 VanDerWaalsContact OD1-CB 3.22Å; D375-S377 WeakPolarHBondContact OD1-CB 3.42Å; D375-S377 PolarHBondContact OD1-N 2.85Å; D375-S377 PolarHBondContact OD1-OG 2.94Å; S377-Y379 VanDerWaalsContact C-N 3.34Å; S377-Y379 PolarHBondContact O-N 3.48Å; S377-Y379 VanDerWaalsContact O-N 3.16Å
378S38.3Very low45.6Very low118 Ų118131.8 Ų131.883%0.82575%0.75SS**  trans-9359.1-175.3-141.10000112.9P376 S380P376-S378 PolarHBondContact O-N 2.81Å; S378-S380 PolarHBondContact O-N 3.16Å; S378-S380 VanDerWaalsContact O-N 3.16Å
379Y40.2Very low43.9Very low211 Ų211134.6 Ų134.683%0.82777%0.768SS**  trans-72.1107.3164.5-82.4-79.8000110.2S377 Y381S377-Y379 VanDerWaalsContact C-N 3.34Å; S377-Y379 PolarHBondContact O-N 3.48Å; S377-Y379 VanDerWaalsContact O-N 3.16Å; Y379-Y381 PolarHBondContact O-N 3.38Å
380S37.7Very low42.7Very low109 Ų109136.6 Ų136.676%0.76278%0.775SS**  trans-17.7114.4157.6-1650000114.7S378 G382S378-S380 PolarHBondContact O-N 3.16Å; S378-S380 VanDerWaalsContact O-N 3.16Å; S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 3.03Å
381Y37.3Very low41.9Very low249 Ų249138.6 Ų138.698%0.97678%0.778SS**  trans-6488.5162.5-105.2-96000108.9Y379Y379-Y381 PolarHBondContact O-N 3.38Å
382G38.1Very low41.3Very low56 Ų56138.8 Ų138.858%0.57778%0.778SS**  trans-135116.8178.400000111.1S380S380-G382 VanDerWaalsContact C-N 3.27Å; S380-G382 PolarHBondContact O-N 3.03Å
383A39.1Very low41.4Very low100 Ų100132.6 Ų132.683%0.82677%0.769SS**  trans6797.5161.500000117.6
384A38Very low41.6Very low106 Ų106130.1 Ų130.188%0.87677%0.768SS**  trans-56139164.900000113.1
385P42.2Very low41.8Very low122 Ų122131.7 Ų131.779%0.79277%0.774SS**  trans-106.9133.1150.211.68.9000110.5
386T45.6Very low41.8Very low133 Ų133130.1 Ų130.182%0.81678%0.781SS**PPolyproline II helixtrans-50.9141.7176.150.30000114.6
387P40.1Very low41.5Very low129 Ų129128.9 Ų128.984%0.83879%0.787SS**PPolyproline II helixtrans-88.9126.4169.433.1-27.5000110.8
388A51.5Low41.2Very low97 Ų97134.9 Ų134.980%0.80280%0.801SS**PPolyproline II helixtrans-82.3141.6165.900000109.9
389P40.5Very low41.4Very low100 Ų100133.7 Ų133.765%0.64980%0.799SS**PPolyproline II helixtrans-82.7153.4-176.935.2-32.5000110
390F43.6Very low41.3Very low193 Ų193128.5 Ų128.585%0.84680%0.799SS**  trans-179.8112.2136.5-91.1-57.1000112.6
391V41.8Very low41.4Very low132 Ų132128 Ų12880%0.880%0.802SS**  trans48.5107.7139.6-73.40000122.9
392H40.8Very low41.9Very low182 Ų182121.4 Ų121.484%0.84379%0.789SS**  trans-41.2167.8142.7-85.3-62.8000114.9
393P45.4Very low42Very low108 Ų108129.9 Ų129.970%0.70181%0.805SS**  -162173.55342.1-17000122.5
394T41.9Very low42Very low123 Ų123128.5 Ų128.576%0.75580%0.801SS**  trans70.1142.5155.6105.50000117.2
395F42.2Very low42.1Very low204 Ų204127.9 Ų127.990%0.89580%0.796SS**  cis-170.3143.218.9-176.5-97.8000110.9
396G41.2Very low41.8Very low70 Ų70131.7 Ų131.772%0.72281%0.806SS**  trans80.7135.715100000118.3
397G39.8Very low41.7Very low71 Ų71129.4 Ų129.473%0.73281%0.808SS**  cis174.1138.50.200000109.9
398F40.8Very low41.5Very low220 Ų220128.6 Ų128.697%0.96581%0.813SS**  trans22.8139.7147.8-85.8-97.2000119.7
399A41.3Very low40.9Very low93 Ų93127.5 Ų127.577%0.76981%0.811SS**  -177.8154.753.800000111.6
400A38.2Very low40.7Very low101 Ų101131.5 Ų131.584%0.83583%0.826SS**  trans-95.8167.6177.500000113.1
401A40.8Very low40.4Very low99 Ų99125.7 Ų125.782%0.81882%0.821SS**  trans-173.4136.1133.800000113.6
402P48Very low40.1Very low111 Ų111127.4 Ų127.472%0.72182%0.823SS**  trans-99.5172.1165.338.2-30.3000112.2
403Y39.2Very low40Very low233 Ų233123.6 Ų123.691%0.91482%0.823SS**  trans167.3144.4145.2-111.4-89.7000115.3
404G39.1Very low39.7Very low72 Ų72121.7 Ų121.774%0.74282%0.824SS**  trans112.5110.1148.400000116
405A39.7Very low39.6Very low92 Ų92121.6 Ų121.676%0.7683%0.828SS**  cis87.9108.72900000117
406M37.2Very low39.4Very low202 Ų202122.2 Ų122.2100%0.99583%0.831SS**  trans72.8129.9140.9-60.8-148.4175.300123.5
407G42.6Very low39.6Very low85 Ų85124 Ų12488%0.87683%0.832SS**  trans-163108.7155.400000111.6
408A37.2Very low39.9Very low112 Ų112128.5 Ų128.593%0.92683%0.834SS**  trans-101.2151.8178.700000111.6
409G38.1Very low40.2Very low75 Ų75122.9 Ų122.977%0.77382%0.82SS**  trans-178.489.9171.600000117.7
410L36.3Very low40.3Very low183 Ų183125.1 Ų125.196%0.95882%0.816SS**  trans61.6119.7132.8-116.877.1000124.9
411G36.5Very low40.7Very low71 Ų71127.3 Ų127.373%0.73281%0.812SS**  trans88.3142.2142.200000116.8
412I37Very low41Very low168 Ų168132.2 Ų132.286%0.86281%0.811SS**  cis-161.6136.221.1-61.2179.3000108.8
413A38.5Very low40.7Very low102 Ų102129.5 Ų129.584%0.84380%0.804SS**  trans26.8130154.700000123.7
414G38.1Very low41.1Very low69 Ų69131.3 Ų131.371%0.71181%0.809SS**  trans146.4115.614300000116
415S40Very low41.8Very low121 Ų121130.6 Ų130.685%0.84680%0.802SS**  trans79.1109.9157.9-45.60000118.2S417S415-S417 PolarHBondContact O-N 3.3Å
416F37.9Very low42.7Very low216 Ų216131.2 Ų131.295%0.94781%0.807SS**  trans-63.4106.2169-80.3-102.8000110.7
417S45.4Very low43.7Very low108 Ų108127.7 Ų127.776%0.75579%0.789SS**  trans-115.5114.8159.366.40000109S415S415-S417 PolarHBondContact O-N 3.3Å
418Q45.8Very low44.7Very low166 Ų166127.1 Ų127.178%0.77677%0.77SS**  trans-63.4133.8168.8-71.3-76.5-40.900108.8M420Q418-M420 PolarHBondContact O-N 3.29Å
419P47.8Very low46.1Very low101 Ų101129.1 Ų129.166%0.65677%0.771SS**  trans-70.7114173.428.1-30.3000108.7I421P419-I421 VanDerWaalsContact C-N 3.33Å; P419-I421 PolarHBondContact O-N 3.39Å
420M43.5Very low47.7Very low140 Ų140127.9 Ų127.969%0.6976%0.758SS**  trans-69.594163.9-78.1-77.7-11700107.5Q418 Y422Q418-M420 PolarHBondContact O-N 3.29Å; M420-Y422 HydrophobicContact CB-CD2 4.18Å; M420-Y422 HydrophobicContact CB-CE2 4.3Å; M420-Y422 HydrophobicContact CE-CE2 3.93Å; M420-Y422 PolarHBondContact O-N 3.06Å; M420-Y422 HydrophobicContact SD-CE2 4.15Å
421I46.8Very low49.5Very low148 Ų148122.2 Ų122.276%0.75973%0.728SS**  trans-77.894.9169-67.4171.9000106.9P419P419-I421 VanDerWaalsContact C-N 3.33Å; P419-I421 PolarHBondContact O-N 3.39Å
422Y46.1Very low51.4Low201 Ų201125.4 Ų125.479%0.78872%0.724SS**  trans-88.5103.3160.7-86-97.5000107.4M420M420-Y422 HydrophobicContact CB-CD2 4.18Å; M420-Y422 HydrophobicContact CB-CE2 4.3Å; M420-Y422 HydrophobicContact CE-CE2 3.93Å; M420-Y422 PolarHBondContact O-N 3.06Å; M420-Y422 HydrophobicContact SD-CE2 4.15Å
423G41.7Very low53.5Low55 Ų55121.2 Ų121.257%0.56770%0.701SS**SBendtrans178.9137.2176.700000111.1G425G423-G425 VanDerWaalsContact C-N 3.25Å; G423-G425 PolarHBondContact O-N 3.42Å
424R48.5Very low55.5Low270 Ų270118.7 Ų118.7100%1.01968%0.675SS**  trans-56.885.8171.2-83.4-167.1180-96.86.9110.1
425G52.8Low57.8Low58 Ų58119.3 Ų119.360%0.59867%0.667SS**  trans-124.9143.9170.300000109.8G423 M427G423-G425 VanDerWaalsContact C-N 3.25Å; G423-G425 PolarHBondContact O-N 3.42Å; G425-M427 PolarHBondContact O-N 2.91Å
426A58.7Low59.8Low105 Ų105118.6 Ų118.687%0.86865%0.651SS**PPolyproline II helixtrans-55.4125.5172.300000109.6
427M59.3Low62.1Low127 Ų127114.3 Ų114.363%0.62664%0.638SS**PPolyproline II helixtrans-59.3133.9-179.3-61.5-168.8-162.100110.2G425 T429 M433G425-M427 PolarHBondContact O-N 2.91Å; M427-T429 PolarHBondContact O-N 3.36Å; M427-M433 HydrophobicContact CE-CG 4.25Å; M427-M433 HydrophobicContact SD-CG 4.34Å
428P62.4Low64Low74 Ų74112.7 Ų112.748%0.48162%0.62SS.*PPolyproline II helixtrans-57.2129.7171.8-20.430.5000110.3G430 M431P428-G430 PolarHBondContact O-N 2.88Å; P428-G430 VanDerWaalsContact O-N 3.14Å; P428-M431 HydrophobicContact CB-CG 4.49Å; P428-M431 HydrophobicContact CB-SD 4.26Å; P428-M431 HydrophobicContact CG-SD 4.18Å; P428-M431 PolarHBondContact O-N 3.16Å
429T67Low65.5Low154 Ų154111.6 Ų111.695%0.94563%0.628SS**THydrogen-bonded Turntrans-52.4120.2-177.9-39.20000110.8M427M427-T429 PolarHBondContact O-N 3.36Å
430G72Confident67.4Low48 Ų48111.1 Ų111.150%0.49562%0.619SS.*THydrogen-bonded Turntrans107.9-19.5176.300000115P428 P450P428-G430 PolarHBondContact O-N 2.88Å; P428-G430 VanDerWaalsContact O-N 3.14Å; G430-P450 WeakPolarHBondContact O-CD 3.26Å; G430-P450 WeakPolarHBondContact O-CG 3.41Å
431M74.6Confident69.3Low64 Ų64106.9 Ų106.932%0.31561%0.612SS.*  trans-81.8136178.6-55.2-175.1172.600111.8P428 L447 Q448 Q449P428-M431 HydrophobicContact CB-CG 4.49Å; P428-M431 HydrophobicContact CB-SD 4.26Å; P428-M431 HydrophobicContact CG-SD 4.18Å; P428-M431 PolarHBondContact O-N 3.16Å; M431-L447 HydrophobicContact CB-CD1 4.34Å; M431-L447 HydrophobicContact CB-CD2 3.94Å; M431-L447 HydrophobicContact CB-CG 3.73Å; M431-L447 HydrophobicContact CG-CD2 4.3Å; M431-L447 HydrophobicContact CG-CG 4.49Å; M431-L447 HydrophobicContact SD-CD2 3.32Å; M431-L447 WeakPolarHBondContact SD-CD2 3.34Å; M431-L447 HydrophobicContact SD-CG 4Å; M431-Q448 WeakPolarHBondContact CA-O 3.31Å; M431-Q449 HydrophobicContact CE-CG 4.09Å; M431-Q449 HydrophobicContact CG-CG 4.43Å
432Q75.8Confident71.1Confident139 Ų139108.7 Ų108.765%0.6561%0.609SS**EExtended strand (participates in β ladder)trans-109.1132.6178.3-175.5174.1-17.600110.4Q448Q432-Q448 PolarHBondContact N-O 3.43Å; Q432-Q448 PolarHBondContact O-N 3.29Å
433M81.2Confident72.9Confident80 Ų80103 Ų10339%0.39460%0.595SS.*EExtended strand (participates in β ladder)trans-74.2123.5170.2-73.2-75.6-91.800109.9M427 Y445 L447M427-M433 HydrophobicContact CE-CG 4.25Å; M427-M433 HydrophobicContact SD-CG 4.34Å; M433-Y445 HydrophobicContact CB-CD1 4.48Å; M433-Y445 HydrophobicContact CE-CG 4Å; M433-L447 HydrophobicContact CG-CD1 3.67Å; M433-L447 HydrophobicContact SD-CB 4.49Å; M433-L447 HydrophobicContact SD-CD1 3.35Å; M433-L447 WeakPolarHBondContact SD-CD1 3.39Å
434V80.3Confident74.8Confident49 Ų49101.2 Ų101.230%0.29758%0.577SS.*EExtended strand (participates in β ladder)trans-117.5127.9177.5-177.40000109.5Y445 V446 Q448V434-Y445 WeakPolarHBondContact O-CA 3.41Å; V434-V446 PolarHBondContact N-O 3.22Å; V434-V446 PolarHBondContact O-N 3.21Å; V434-Q448 HydrophobicContact CG2-CB 4.14Å
435P85.5Confident76.5Confident82 Ų8295 Ų9553%0.53255%0.554SS.*EExtended strand (participates in β ladder)trans-70.3139.5176.528.7-33.5000111.1V443 G444 Y445P435-V443 HydrophobicContact CB-CG1 3.67Å; P435-G444 CarbonylContact C-O 3.52Å; P435-G444 WeakPolarHBondContact CA-O 3.32Å; P435-Y445 HydrophobicContact CB-CD1 4.21Å; P435-Y445 HydrophobicContact CB-CE1 3.97Å
436M83.7Confident78Confident105 Ų10595.5 Ų95.552%0.51755%0.546SS..EExtended strand (participates in β ladder)trans-133.2136.5176.4-171.8-173.8-45.900109.2V443 G444 V446M436-V443 CarbonylContact O-C 3.53Å; M436-V443 WeakPolarHBondContact O-CA 3.37Å; M436-G444 PolarHBondContact N-O 2.74Å; M436-G444 PolarHBondContact O-N 3.21Å; M436-V446 HydrophobicContact CE-CB 4.12Å; M436-V446 HydrophobicContact CE-CG2 3.51Å
437L84.6Confident79Confident127 Ų12794.1 Ų94.167%0.66552%0.523SS*.EExtended strand (participates in β ladder)trans-81.7118.7174.6-153.376.8000109V443L437-V443 HydrophobicContact CD1-CG2 4.1Å
438L86.2Confident79.6Confident73 Ų7391.2 Ų91.238%0.38251%0.508SS..  trans-74.7159.2172.8-80.987.5000110.4D440 G441 R442 G444L438-D440 WeakPolarHBondContact CB-OD1 3.39Å; L438-D440 PolarHBondContact O-N 2.79Å; L438-D440 VanDerWaalsContact O-N 3.1Å; L438-G441 PolarHBondContact O-N 2.76Å; L438-R442 PolarHBondContact N-O 2.94Å; L438-G444 VanDerWaalsContact CD1-CA 3.43Å
439P77.6Confident79.9Confident144 Ų14493.7 Ų93.794%0.93551%0.513SS*.THydrogen-bonded Turntrans-57-22.2177.4-2635.3000115.1G441P439-G441 VanDerWaalsContact C-N 3.31Å
440D88Confident79.8Confident91 Ų9191.2 Ų91.249%0.48750%0.499SS..THydrogen-bonded Turntrans-85.10.6176.867.6-7.1000113.6L438 R442L438-D440 WeakPolarHBondContact CB-OD1 3.39Å; L438-D440 PolarHBondContact O-N 2.79Å; L438-D440 VanDerWaalsContact O-N 3.1Å; D440-R442 VanDerWaalsContact C-N 3.34Å; D440-R442 WeakPolarHBondContact OD1-CB 3.19Å; D440-R442 PolarHBondContact OD1-N 2.8Å; D440-R442 VanDerWaalsContact OD2-CD 3.22Å; D440-R442 WeakPolarHBondContact OD2-CD 3.48Å; D440-R442 WeakPolarHBondContact OD2-CG 3.3Å; D440-R442 IonicContact OD2-NE 3.1Å
441G81.6Confident79.5Confident51 Ų5192.5 Ų92.553%0.52651%0.513SS..SBendtrans85.2-2.4-178.400000115L438 P439L438-G441 PolarHBondContact O-N 2.76Å; P439-G441 VanDerWaalsContact C-N 3.31Å
442R85.4Confident78.7Confident185 Ų18596.4 Ų96.470%0.69853%0.532SS*.  trans-75.8150.9175.5-61.9-177.7-175.3175.60.3110.7L438 D440L438-R442 PolarHBondContact N-O 2.94Å; D440-R442 VanDerWaalsContact C-N 3.34Å; D440-R442 WeakPolarHBondContact OD1-CB 3.19Å; D440-R442 PolarHBondContact OD1-N 2.8Å; D440-R442 VanDerWaalsContact OD2-CD 3.22Å; D440-R442 WeakPolarHBondContact OD2-CD 3.48Å; D440-R442 WeakPolarHBondContact OD2-CG 3.3Å; D440-R442 IonicContact OD2-NE 3.1Å
443V84.7Confident77.8Confident82 Ų8295.5 Ų95.550%0.49754%0.538SS..EExtended strand (participates in β ladder)trans-91.2111.6171.2-179.90000108.2P435 M436 L437 Y445P435-V443 HydrophobicContact CB-CG1 3.67Å; M436-V443 CarbonylContact O-C 3.53Å; M436-V443 WeakPolarHBondContact O-CA 3.37Å; L437-V443 HydrophobicContact CD1-CG2 4.1Å; V443-Y445 HydrophobicContact CG1-CE2 4.31Å
444G80.1Confident76.4Confident18 Ų1899 Ų9919%0.18656%0.556CS.*EExtended strand (participates in β ladder)trans-92162.5166.200000110.7P435 M436 L438P435-G444 CarbonylContact C-O 3.52Å; P435-G444 WeakPolarHBondContact CA-O 3.32Å; M436-G444 PolarHBondContact N-O 2.74Å; M436-G444 PolarHBondContact O-N 3.21Å; L438-G444 VanDerWaalsContact CD1-CA 3.43Å
445Y85.8Confident75.2Confident139 Ų139101.5 Ų101.555%0.54558%0.581SS.*EExtended strand (participates in β ladder)trans-119.3133.6173.7-66.2-94000109.1M433 V434 P435 V443M433-Y445 HydrophobicContact CB-CD1 4.48Å; M433-Y445 HydrophobicContact CE-CG 4Å; V434-Y445 WeakPolarHBondContact O-CA 3.41Å; P435-Y445 HydrophobicContact CB-CD1 4.21Å; P435-Y445 HydrophobicContact CB-CE1 3.97Å; V443-Y445 HydrophobicContact CG1-CE2 4.31Å
446V83.5Confident73.3Confident69 Ų69101.9 Ų101.942%0.41859%0.591SS.*EExtended strand (participates in β ladder)trans-117.8138.8174.8177.70000109.2V434 M436V434-V446 PolarHBondContact N-O 3.22Å; V434-V446 PolarHBondContact O-N 3.21Å; M436-V446 HydrophobicContact CE-CB 4.12Å; M436-V446 HydrophobicContact CE-CG2 3.51Å
447L79.3Confident71.7Confident75 Ų75100.9 Ų100.939%0.39360%0.6SS.*EExtended strand (participates in β ladder)trans-81.4113.8178.7-146.874.1000109M431 M433M431-L447 HydrophobicContact CB-CD1 4.34Å; M431-L447 HydrophobicContact CB-CD2 3.94Å; M431-L447 HydrophobicContact CB-CG 3.73Å; M431-L447 HydrophobicContact CG-CD2 4.3Å; M431-L447 HydrophobicContact CG-CG 4.49Å; M431-L447 HydrophobicContact SD-CD2 3.32Å; M431-L447 WeakPolarHBondContact SD-CD2 3.34Å; M431-L447 HydrophobicContact SD-CG 4Å; M433-L447 HydrophobicContact CG-CD1 3.67Å; M433-L447 HydrophobicContact SD-CB 4.49Å; M433-L447 HydrophobicContact SD-CD1 3.35Å; M433-L447 WeakPolarHBondContact SD-CD1 3.39Å
448Q72.6Confident70.1Confident66 Ų66100.2 Ų100.231%0.30860%0.603SS.*EExtended strand (participates in β ladder)trans-109133-178.6-167.117110.900110.9M431 Q432 V434M431-Q448 WeakPolarHBondContact CA-O 3.31Å; Q432-Q448 PolarHBondContact N-O 3.43Å; Q432-Q448 PolarHBondContact O-N 3.29Å; V434-Q448 HydrophobicContact CG2-CB 4.14Å
449Q68.7Low68.6Low127 Ų127102.5 Ų102.559%0.59362%0.622SS**  trans-73142.8169.8-72.6-173.69.300110.8M431 G451M431-Q449 HydrophobicContact CE-CG 4.09Å; M431-Q449 HydrophobicContact CG-CG 4.43Å; Q449-G451 PolarHBondContact O-N 3.37Å
450P64.8Low67.4Low101 Ų101104.6 Ų104.666%0.65662%0.62SS**THydrogen-bonded Turntrans-67.1133.9174.5-13.128.7000110.1G430G430-P450 WeakPolarHBondContact O-CD 3.26Å; G430-P450 WeakPolarHBondContact O-CG 3.41Å
451G64.7Low65.3Low76 Ų76111.4 Ų111.478%0.78464%0.638SS**THydrogen-bonded Turntrans103.91.7167.200000116.5Q449 P453Q449-G451 PolarHBondContact O-N 3.37Å; G451-P453 WeakPolarHBondContact O-CD 3.45Å
452M59Low63.9Low145 Ų145114.7 Ų114.771%0.71465%0.651SS**  trans-85117.4164.2-85.9-175.9144.900110.2M454M452-M454 PolarHBondContact O-N 3.28Å
453P56.4Low62.1Low120 Ų120117.5 Ų117.578%0.77966%0.661SS**  trans-62.6132.2171.725.4-31000109.1G451 A455G451-P453 WeakPolarHBondContact O-CD 3.45Å; P453-A455 PolarHBondContact O-N 3.46Å
454M51.9Low60.1Low155 Ų155123.3 Ų123.376%0.76467%0.674SS**  trans-51.1114.9171.1-67.8-77.4-93.500108.3M452 A456M452-M454 PolarHBondContact O-N 3.28Å; M454-A456 PolarHBondContact O-N 2.79Å
455A54.1Low58.5Low100 Ų100129.9 Ų129.983%0.82671%0.705SS**  trans-60.211016100000105.6P453 A457P453-A455 PolarHBondContact O-N 3.46Å; A455-A457 PolarHBondContact O-N 3.09Å
456A46.3Very low56.6Low90 Ų90128.6 Ų128.674%0.74471%0.708SS**PPolyproline II helixtrans-48.1127.2179.600000108.8M454M454-A456 PolarHBondContact O-N 2.79Å
457A50.9Low54.6Low84 Ų84137 Ų13769%0.69473%0.732SS**PPolyproline II helixtrans-46.6133.1170.900000108.2A455A455-A457 PolarHBondContact O-N 3.09Å
458P51.2Low53.1Low113 Ų113140.7 Ų140.773%0.73475%0.752SS**PPolyproline II helixtrans-55.9134.8179.322.8-31.1000108Q460P458-Q460 PolarHBondContact O-N 2.99Å
459P54.5Low51.7Low121 Ų121144 Ų14479%0.78677%0.772SS**PPolyproline II helixtrans-56.2129.3-17921.8-31.6000108.8R461P459-R461 PolarHBondContact O-N 3.33Å; P459-R461 VanDerWaalsContact O-N 3.1Å
460Q51.1Low50.3Low189 Ų189141.9 Ų141.988%0.88378%0.784SS**PPolyproline II helixtrans-52.7122.6171.4-70.2-160.3-20.800108.2P458P458-Q460 PolarHBondContact O-N 2.99Å
461R44.7Very low49.4Very low233 Ų233141.4 Ų141.488%0.87978%0.784SS**PPolyproline II helixtrans-56131.5176.5-74.8-178.4173.5-140.8-0.2108.4P459 R463P459-R461 PolarHBondContact O-N 3.33Å; P459-R461 VanDerWaalsContact O-N 3.1Å; R461-R463 PolarHBondContact O-N 3.14Å
462P52.7Low48.7Very low121 Ų121143.3 Ų143.379%0.78679%0.785SS**PPolyproline II helixtrans-57.6134.2169.6-16.627.9000108.4R464P462-R464 PolarHBondContact O-N 3.5Å
463R47Very low47.9Very low244 Ų244140 Ų14092%0.92179%0.788SS**  trans-51.4115.6168-75.3-170.5173.1170.6-1.3108.1R461 N465R461-R463 PolarHBondContact O-N 3.14Å; R463-N465 VanDerWaalsContact C-N 3.31Å; R463-N465 PolarHBondContact O-N 3.41Å
464R42.6Very low47.3Very low204 Ų204137.7 Ų137.777%0.7779%0.786SS**  trans-70.193172.1-172.5178.8173.6171.43.8106.7P462 D466P462-R464 PolarHBondContact O-N 3.5Å; R464-D466 VanDerWaalsContact C-N 3.34Å; R464-D466 IonicContact CZ-OD1 3.58Å; R464-D466 IonicContact NE-OD1 3.94Å; R464-D466 PolarHBondContact NE-OD1 3.21Å; R464-D466 IonicContact NE-OD2 3.18Å; R464-D466 IonicContact NH2-OD1 3.6Å; R464-D466 PolarHBondContact NH2-OD1 3.16Å; R464-D466 PolarHBondContact O-N 2.99Å
465N46.1Very low47Very low156 Ų156136.4 Ų136.483%0.83479%0.792SS**  trans-72100.2156.1-110.518.1000105.8R463 R467R463-N465 VanDerWaalsContact C-N 3.31Å; R463-N465 PolarHBondContact O-N 3.41Å; N465-R467 PolarHBondContact O-N 3.01Å
466D46.1Very low46.5Very low112 Ų112134.9 Ų134.960%0.59979%0.786SS**  trans-61.4105.9170.2-78-63000108.9R464 N468R464-D466 VanDerWaalsContact C-N 3.34Å; R464-D466 IonicContact CZ-OD1 3.58Å; R464-D466 IonicContact NE-OD1 3.94Å; R464-D466 PolarHBondContact NE-OD1 3.21Å; R464-D466 IonicContact NE-OD2 3.18Å; R464-D466 IonicContact NH2-OD1 3.6Å; R464-D466 PolarHBondContact NH2-OD1 3.16Å; R464-D466 PolarHBondContact O-N 2.99Å; D466-N468 PolarHBondContact O-N 3.5Å
467R42.8Very low46.4Very low244 Ų244142.1 Ų142.192%0.92179%0.794SS**  trans-66.2108.5157.9-74177.9173.6171.9-1.9107N465N465-R467 PolarHBondContact O-N 3.01Å
468N46.5Very low46.2Very low153 Ų153145.3 Ų145.382%0.81880%0.8SS**  trans-108.793.6156.8-154.316.6000109.9D466D466-N468 PolarHBondContact O-N 3.5Å
469N43.6Very low45.9Very low136 Ų136146.9 Ų146.973%0.72780%0.802SS**  trans8107137.6-163.331.8000116.8
470G38.9Very low45.5Very low83 Ų83145.9 Ų145.986%0.85680%0.798SS**  trans-118.299.2159.200000108.6
471S47.1Very low45.3Very low91 Ų91145.1 Ų145.164%0.63679%0.794SS**  trans-91.1143.7177.4-167.20000110.4
472S48.4Very low45.3Very low115 Ų115142.1 Ų142.180%0.80479%0.79SS**  trans67.1129.4153.169.20000120.3
473G42.4Very low45.2Very low77 Ų77144.4 Ų144.479%0.79479%0.79SS**  123.588.9128.800000117.2
474G44Very low45.2Very low70 Ų70139.9 Ų139.972%0.72278%0.784SS**  trans27.1123.9133.700000122
475S46.4Very low45.2Very low128 Ų128133.4 Ų133.490%0.89578%0.781SS**  66.1131.8129.364.70000121.4
476G42.9Very low45.2Very low69 Ų69133.3 Ų133.371%0.71178%0.78SS**  trans10897.4155.100000112.4
477R45.4Very low45.2Very low242 Ų242139.5 Ų139.591%0.91380%0.795SS**  61.4105.892.4-81.4-172173.8169-1.4114.2
478D46.4Very low45.4Very low151 Ų151131.8 Ų131.881%0.80779%0.791SS**  trans68.4145.6132.7-106.2-30.7000121.9
479N43.9Very low45.5Very low146 Ų146128.1 Ų128.178%0.78179%0.789SS**  trans89.2124.9160.7-69.6-4.8000120.7
480S46.2Very low46.1Very low99 Ų99133 Ų13369%0.69280%0.797SS**  trans-61.9147.716943.60000114.5
481H47.8Very low46.6Very low173 Ų173140.6 Ų140.680%0.80180%0.8SS**  172.4148.9117.5-107.914.3000112
482E44.3Very low47Very low171 Ų171147 Ų14780%0.79981%0.812SS**  trans-63.8150.8-178.8-65.2149.4100.500114.2
483H50.6Low47.5Very low169 Ų169152.2 Ų152.278%0.78281%0.814SS**  172.8131.6116.7-130.6-66.2000112.1
484D47.8Very low48.3Very low149 Ų149153 Ų15380%0.79781%0.805SS**  trans31.2143.6149.2-86.2-52.9000124.9
485G42.4Very low48.9Very low68 Ų68164.1 Ų164.170%0.70183%0.828SS**  trans148.777.4140.100000118.1
486N45.1Very low49Very low153 Ų153166 Ų16682%0.81882%0.824SS**  39.7121128.7-164.930.5000120.8
487R47Very low49.3Very low243 Ų243171.1 Ų171.192%0.91783%0.83SS**  trans156.2127.8146.2-89.6162.1-173-162.84.5107.1
488G46.3Very low49.5Very low82 Ų82167.1 Ų167.185%0.84583%0.826SS**  cis148.6149.815.900000106.6
489G47.7Very low49.7Very low75 Ų75168.1 Ų168.177%0.77383%0.827SS**  trans134.286.1158.500000118.3
490R56.8Low50.1Low238 Ų238169.4 Ų169.490%0.89883%0.83SS**  45.4111129.8-57.6-166.4-167.7-139.75.8119
491R49.8Very low50.3Low244 Ų244174.1 Ų174.192%0.92184%0.839SS**  64.511492.6-82.3-170-177.1-1720.5115.5
492Y56Low50.5Low225 Ų225174.2 Ų174.288%0.88284%0.841SS**  -170134116-149.8-99.9000111.8
493R58Low51Low225 Ų225174.5 Ų174.585%0.84985%0.845SS**  trans-148.8164.9163.5-108-169.9170.2-154-2.4103.5
494P59.6Low51Low93 Ų93174.9 Ų174.960%0.60485%0.85SS**  cis-132.8179.4-26.934.7-15.7000111.1
495Y56Low51.3Low304 Ų304177.3 Ų177.3100%1.19286%0.855SS**  -130.30128.7-95.6-82.2000106.6

Retrieved 495 of 495 residues in 1310.3 ms (Link to these results)