HNRPQ_ARATH Loading...

Isoform 3 of Heterogeneous nuclear ribonucleoprotein Q AlphaSync

Canonical isoform description: 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 Q9ASP6-3 (canonical: Q9ASP6), Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene LIF2, Length 487 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.2Very low49.7Very low240 Ų240149.9 Ų149.9100%1.18278%0.779SS**  0109.10-64.5171.6177.400106.5
2S44.5Very low49.7Very low95 Ų95147.1 Ų147.166%0.66477%0.766SS**  cis-174.5134.8-16.36.70000103.9
3D43.2Very low49.8Very low143 Ų143150.2 Ų150.277%0.76577%0.771SS**  49.1133.794.5-59.4-75000114.1
4A51.2Low50Low78 Ų78153.6 Ų153.665%0.64578%0.782SS**  cis-170.2165.6-12.400000107.5
5R51.6Low49.9Very low204 Ų204155.8 Ų155.877%0.7779%0.787SS**  cis-158.7165-2.7-155.1172.5-94.4109.46.7109.6
6D49Very low49.6Very low143 Ų143150.8 Ų150.877%0.76579%0.787SS**  trans-72.4154.4160.2-45.6-84.7000112.6
7N53.1Low49.3Very low149 Ų149148.2 Ų148.280%0.79779%0.785SS**  trans-146.6115.4159.6-115.236.1000106.6
8D49.8Very low49.4Very low146 Ų146152.1 Ų152.178%0.78179%0.789SS**  trans-126.192.1-174.9-178.322.8000108.6R10D8-R10 VanDerWaalsContact C-N 3.31Å; D8-R10 PolarHBondContact O-N 3.06Å
9D55.5Low49.3Very low145 Ų145148.3 Ų148.378%0.77578%0.777SS**  trans-82.675.8-174.9-82.7-56.2000111.3V11D9-V11 PolarHBondContact O-N 2.73Å
10R47.5Very low49.1Very low186 Ų186149.5 Ų149.570%0.70278%0.778SS**  trans-62.9113.7174.4176.1-174173.1119.78.8111.8D8 D12D8-R10 VanDerWaalsContact C-N 3.31Å; D8-R10 PolarHBondContact O-N 3.06Å; R10-D12 IonicContact CZ-OD1 2.94Å; R10-D12 VanDerWaalsContact CZ-OD1 3.26Å; R10-D12 IonicContact CZ-OD2 2.61Å; R10-D12 VanDerWaalsContact NE-CG 3.29Å; R10-D12 IonicContact NE-OD1 3.84Å; R10-D12 PolarHBondContact NE-OD1 2.66Å; R10-D12 IonicContact NE-OD2 3.69Å; R10-D12 PolarHBondContact NE-OD2 3.15Å; R10-D12 IonicContact NH2-OD1 2.84Å; R10-D12 PolarHBondContact NH2-OD1 3.39Å; R10-D12 IonicContact NH2-OD2 3.24Å
11V58Low49.2Very low120 Ų120150 Ų15073%0.72778%0.778SS**  trans-9897.7168.1-74.70000111.3D9 F13D9-V11 PolarHBondContact O-N 2.73Å; V11-F13 PolarHBondContact O-N 3.24Å
12D49.5Very low49.3Very low116 Ų116146.7 Ų146.762%0.6276%0.76SS**PPolyproline II helixtrans-72.1117.7169.3-72.8-57.8000110.1R10R10-D12 IonicContact CZ-OD1 2.94Å; R10-D12 VanDerWaalsContact CZ-OD1 3.26Å; R10-D12 IonicContact CZ-OD2 2.61Å; R10-D12 VanDerWaalsContact NE-CG 3.29Å; R10-D12 IonicContact NE-OD1 3.84Å; R10-D12 PolarHBondContact NE-OD1 2.66Å; R10-D12 IonicContact NE-OD2 3.69Å; R10-D12 PolarHBondContact NE-OD2 3.15Å; R10-D12 IonicContact NH2-OD1 2.84Å; R10-D12 PolarHBondContact NH2-OD1 3.39Å; R10-D12 IonicContact NH2-OD2 3.24Å
13F51.5Low49.3Very low188 Ų188149.1 Ų149.183%0.82577%0.766SS**PPolyproline II helixtrans-101.8123.3167.2-90.8-90.1000109.5V11V11-F13 PolarHBondContact O-N 3.24Å
14E52.3Low49.3Very low198 Ų198151.2 Ų151.293%0.92577%0.771SS**PPolyproline II helixtrans-70.9154.8-176.1-70.4-169.313800113.9G16E14-G16 PolarHBondContact O-N 2.81Å
15E48Very low49.2Very low186 Ų186153.9 Ų153.987%0.86978%0.779SS**  trans-91.1105.2-155.4-171.1174.7-172.200113.7S17E15-S17 VanDerWaalsContact C-N 3.35Å; E15-S17 PolarHBondContact O-N 2.76Å
16G46Very low48.9Very low76 Ų76153 Ų15378%0.78478%0.784SS**  trans-76.575.1174.900000113.4E14 Y18E14-G16 PolarHBondContact O-N 2.81Å; G16-Y18 PolarHBondContact O-N 2.83Å
17S43.9Very low48.5Very low107 Ų107155.1 Ų155.175%0.74879%0.789SS**  trans-50.298.8179.3165.40000113.9E15E15-S17 VanDerWaalsContact C-N 3.35Å; E15-S17 PolarHBondContact O-N 2.76Å
18Y50.8Low48.1Very low217 Ų217156.8 Ų156.885%0.85179%0.792SS**  trans-86.8110167.7-170.3-90.8000109.3G16 E20G16-Y18 PolarHBondContact O-N 2.83Å; Y18-E20 PolarHBondContact O-N 2.73Å
19S48.3Very low47.5Very low80 Ų80158.7 Ų158.756%0.55980%0.796SS**  trans-77.4121.6-179.955.40000111.4M21S19-M21 PolarHBondContact O-N 3.12Å
20E45.3Very low46.9Very low172 Ų172158.3 Ų158.380%0.80480%0.798SS**  trans-55.5134.3164.7-65.7164.6122.300110.4Y18Y18-E20 PolarHBondContact O-N 2.73Å
21M50.7Low46.6Very low160 Ų160156 Ų15679%0.78880%0.796SS**  trans-113.3121.3155.1-66.7-170.2-174.700106.3S19 D23S19-M21 PolarHBondContact O-N 3.12Å; M21-D23 PolarHBondContact O-N 2.92Å
22E45.1Very low45.7Very low171 Ų171159 Ų15980%0.79980%0.802SS**  trans-80.195.4174.5-65.1160.5120.100107E24E22-E24 PolarHBondContact O-N 3.24Å; E22-E24 VanDerWaalsContact O-N 3.12Å
23D45.3Very low45.3Very low147 Ų147162.2 Ų162.279%0.78681%0.807SS**  trans-72.6100.3171.7-77.8-34.8000108.8M21 V25M21-D23 PolarHBondContact O-N 2.92Å; D23-V25 PolarHBondContact O-N 3.22Å; D23-V25 VanDerWaalsContact O-N 3.07Å
24E43.8Very low44.7Very low187 Ų187162 Ų16287%0.87481%0.808SS**  trans-62.8105.3171.5-70.6-178.2122.500109.7E22 E26E22-E24 PolarHBondContact O-N 3.24Å; E22-E24 VanDerWaalsContact O-N 3.12Å; E24-E26 PolarHBondContact O-N 3.25Å
25V47.4Very low44.2Very low133 Ų133161.5 Ų161.581%0.80681%0.806SS**  trans-76.4103.3170.7-81.80000109.8D23 E27D23-V25 PolarHBondContact O-N 3.22Å; D23-V25 VanDerWaalsContact O-N 3.07Å; V25-E27 PolarHBondContact O-N 2.9Å
26E45.9Very low44Very low187 Ų187161.4 Ų161.487%0.87481%0.805SS**  trans-63.9123.1169.7-68-171.9125.300110.1E24 E28E24-E26 PolarHBondContact O-N 3.25Å; E26-E28 PolarHBondContact O-N 2.85Å
27E40.2Very low43.7Very low187 Ų187167 Ų16787%0.87481%0.811SS**  trans-76.584.3177.3-64.5-177.2155.400110.5V25 Q29V25-E27 PolarHBondContact O-N 2.9Å; E27-Q29 PolarHBondContact O-N 3.2Å; E27-Q29 VanDerWaalsContact O-N 3.14Å
28E44.4Very low43.8Very low183 Ų183170.5 Ų170.586%0.85582%0.816SS**  trans-63.3112.5165.6-77-164.7133.400109.6E26 V30E26-E28 PolarHBondContact O-N 2.85Å; E28-V30 PolarHBondContact O-N 3.41Å
29Q39Very low43.3Very low187 Ų187169 Ų16987%0.87482%0.816SS**  trans-64120.1176.3-77.1156.288.900109.8E27 E31E27-Q29 PolarHBondContact O-N 3.2Å; E27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-E31 PolarHBondContact O-N 3.21Å
30V41.7Very low43.3Very low136 Ų136173 Ų17382%0.82483%0.832SS**  trans-75.1109.2168.9-178.90000107.6E28 E32E28-V30 PolarHBondContact O-N 3.41Å; V30-E32 PolarHBondContact O-N 3.03Å
31E42.1Very low43.1Very low138 Ų138172.3 Ų172.365%0.64583%0.833SS**  trans-71124.3164.8-79.5-169.3162.200109.3Q29 Y33Q29-E31 PolarHBondContact O-N 3.21Å; E31-Y33 HydrophobicContact CB-CD2 4.17Å; E31-Y33 HydrophobicContact CB-CE2 3.54Å; E31-Y33 WeakPolarHBondContact O-CD2 3.24Å; E31-Y33 PolarHBondContact O-N 3.42Å; E31-Y33 PolarHBondContact OE2-OH 3.22Å
32E39.1Very low43.1Very low184 Ų184172.7 Ų172.786%0.8684%0.839SS**  trans-83.4102.8-179.2-170163.4-137.200108.3V30V30-E32 PolarHBondContact O-N 3.03Å
33Y40.1Very low43.1Very low183 Ų183172.3 Ų172.372%0.71884%0.842SS**  trans-91.1102.9177.2-76.5-90.1000109.5E31 E35E31-Y33 HydrophobicContact CB-CD2 4.17Å; E31-Y33 HydrophobicContact CB-CE2 3.54Å; E31-Y33 WeakPolarHBondContact O-CD2 3.24Å; E31-Y33 PolarHBondContact O-N 3.42Å; E31-Y33 PolarHBondContact OE2-OH 3.22Å; Y33-E35 PolarHBondContact O-N 3.5Å
34E40.3Very low43.3Very low182 Ų182173.3 Ų173.385%0.8585%0.848SS**  trans-67.2110.7167.9-61.6176.313100108.7
35E41.5Very low43.3Very low189 Ų189171.2 Ų171.288%0.88384%0.842SS**  trans-85.6109.7165.1-71.7-169.7147.600108.2Y33Y33-E35 PolarHBondContact O-N 3.5Å
36E43.1Very low43.4Very low183 Ų183170.7 Ų170.786%0.85584%0.839SS**  trans-69.7128.4177.7-62.3-179130.100110.2E38E36-E38 PolarHBondContact O-N 2.6Å
37E39.6Very low43Very low193 Ų193165.4 Ų165.490%0.90283%0.834SS**  trans-75.3108.5172.1-65.9-173.6160.600109.6
38E46Very low43Very low182 Ų182164.2 Ų164.285%0.8583%0.834SS**  trans-83.6113.7167.5-71.7-161.114000110.3E36 D40E36-E38 PolarHBondContact O-N 2.6Å; E38-D40 PolarHBondContact O-N 2.95Å
39E39.5Very low42.6Very low185 Ų185163.4 Ų163.486%0.86483%0.83SS**  trans-75.7104.2171.2-62.3177.3132.500110
40D49Very low42.6Very low165 Ų165162.2 Ų162.288%0.88283%0.83SS**  trans-93.598.4167.3-101.5-24.5000109.9E38E38-D40 PolarHBondContact O-N 2.95Å
41D41.3Very low42.2Very low156 Ų156160.3 Ų160.383%0.83483%0.828SS**  trans-67.3133.1166.1-81-43.7000110.9
42D50.3Low42.2Very low168 Ų168162.3 Ų162.390%0.89884%0.838SS**  trans-153.5109.8151.2-119.2-20.1000110.2
43D45.1Very low42.1Very low164 Ų164162.3 Ų162.388%0.87784%0.838SS**  trans-68142.1172.9-82.4-60.2000111.2
44D49Very low42.1Very low168 Ų168163.4 Ų163.490%0.89884%0.841SS**  trans-151.6150.3137.3-134.5-24.9000113.2
45D45.1Very low42.1Very low143 Ų143162.2 Ų162.277%0.76584%0.835SS**  trans-100-177.9-157.2-179.234.9000114.5
46V48.9Very low41.9Very low122 Ų122160.1 Ų160.174%0.73984%0.835SS**  trans87.977.2161-162.40000115.6
47G37.3Very low41.9Very low75 Ų75159 Ų15977%0.77383%0.829SS**  trans-75.6176.4162.100000113.9
48N40Very low41.9Very low162 Ų162156.4 Ų156.487%0.86682%0.822SS**  trans-142.8153.5160.6-169.927.4000111.1
49Q36.4Very low41.9Very low166 Ų166157.2 Ų157.278%0.77682%0.819SS**  trans-89.8137.6-176.2-61.4159.612.600110.8
50N38.4Very low41.8Very low163 Ų163151.2 Ų151.287%0.87281%0.806SS**  -169141.3127.1-100.6-13.3000110.6
51A34Very low41.2Very low95 Ų95149.7 Ų149.779%0.78580%0.798SS**  trans-98.5135.6164.700000108.6
52E42.3Very low41.3Very low181 Ų181148 Ų14885%0.84679%0.793SS**  trans-128.5139.5153.2-72.6-159.7159.400108.7
53E36Very low41Very low184 Ų184148.4 Ų148.486%0.8679%0.787SS**  trans-80.2158.6178.7-56.2160.6141.800109.8
54R41.6Very low40.4Very low206 Ų206144.6 Ų144.678%0.77779%0.787SS**  trans153.5151.6154.2-91.3-166.3-172.3100.312.3111.1
55E38.9Very low39.8Very low156 Ų156140.2 Ų140.273%0.72978%0.781SS**  cis-158147-27.9-128.6157.8-16500105.2
56V39Very low39.4Very low145 Ų145140.9 Ų140.988%0.87979%0.785SS**  trans-102.1106.9-176.8-177.20000109.3D58V56-D58 PolarHBondContact O-N 3.16Å
57E42.4Very low39.3Very low159 Ų159143.4 Ų143.474%0.74379%0.791SS**  trans-88.497172.1-68.8-155.1159.900111.3Y59E57-Y59 HydrophobicContact CB-CD2 4.47Å; E57-Y59 HydrophobicContact CB-CE2 4.39Å
58D39.5Very low39.6Very low140 Ų140148.2 Ų148.275%0.74979%0.793SS**  trans-79.4135.7159.117434.7000109.9V56V56-D58 PolarHBondContact O-N 3.16Å
59Y45.4Very low39.4Very low199 Ų199148.5 Ų148.578%0.7879%0.794SS**  trans-124.386.9174.9-96.5-86.6000110E57E57-Y59 HydrophobicContact CB-CD2 4.47Å; E57-Y59 HydrophobicContact CB-CE2 4.39Å
60G38.8Very low39.6Very low58 Ų58146.8 Ų146.860%0.59880%0.795SS**  trans-88.7169.8179.200000115.8
61D36.5Very low39.4Very low133 Ų133148.1 Ų148.171%0.71180%0.796SS**  trans54116.9160.6-168.837.2000119.7K63D61-K63 PolarHBondContact OD1-N 2.98Å
62T42Very low39.8Very low120 Ų120152.5 Ų152.574%0.73680%0.8SS**  -153.7106.5115-0.50000113.3
63K43.5Very low39.4Very low177 Ų177152.1 Ų152.177%0.7780%0.798SS**  trans56.3123146.3-63.3172.3-178.2176.20120.3D61D61-K63 PolarHBondContact OD1-N 2.98Å
64G33.4Very low39.5Very low84 Ų84150.6 Ų150.687%0.86680%0.795SS**  trans-81.5179152.900000113.3
65G36.4Very low39.4Very low76 Ų76145.5 Ų145.578%0.78480%0.797SS**  trans-168.2128170.500000111.2
66D37.4Very low39.5Very low157 Ų157146.2 Ų146.284%0.8480%0.8SS**  trans-77.5149.3179.9-50.7-92.2000112.8
67M45.6Very low39.7Very low175 Ų175146.9 Ų146.986%0.86280%0.798SS**  trans-172.399.7152.7-102.7162.9-168.500106.2
68E43.1Very low39.8Very low177 Ų177146.8 Ų146.883%0.82780%0.803SS**  77.1125.975-73.3-166.8145.800113.6
69D36.1Very low40.1Very low167 Ų167146.8 Ų146.889%0.89380%0.803SS**  trans-69.2136.7-179.6-58-88.4000112.9
70V41.6Very low40.1Very low130 Ų130145.4 Ų145.479%0.78881%0.809SS**  trans-136.3115.7157.8-176.90000109.7
71Q34.1Very low40.4Very low191 Ų191149.9 Ų149.989%0.89381%0.814SS**  trans-90.4132.9157.4-66.9175.5-29.300108
72E41.9Very low40.9Very low187 Ų187150.6 Ų150.687%0.87482%0.817SS**  trans-151.8146.4158.6-126.3167.2-155.500110.2
73E34.6Very low40.8Very low173 Ų173151.2 Ų151.281%0.80882%0.816SS**  trans-116.5174.5-173.5-58.7-175.4159.100111.4
74I37.8Very low41.1Very low153 Ų153149.3 Ų149.379%0.78581%0.812SS**  trans72.5111.6161.5-52.2163.8000117
75A40.1Very low41.6Very low99 Ų99154.7 Ų154.782%0.81882%0.815SS**  -158.5148.4128.900000110
76E39.9Very low41.9Very low170 Ų170157 Ų15779%0.79481%0.814SS**  trans-112.2173.6-176.2-61.3171128.400111
77D43.8Very low42.3Very low159 Ų159153.8 Ų153.885%0.8581%0.809SS**  trans63.7129168.3-50.7-25000117.4
78D44.1Very low42.2Very low158 Ų158153.6 Ų153.685%0.84581%0.812SS**  -159.1161.766.2-169.512.2000112.1
79D46.7Very low42.4Very low140 Ų140152.7 Ų152.775%0.74981%0.813SS**  trans-73.4145.7-168.5-79.6-50.2000115
80N45.7Very low42.9Very low169 Ų169152.3 Ų152.390%0.90481%0.81SS**  trans-148.5115.8149.7-102.8-81.2000112.2
81H43.4Very low43Very low152 Ų152155.4 Ų155.470%0.70482%0.816SS**  trans-88.4121-166.5-171.3-67.3000112.5D83H81-D83 VanDerWaalsContact CE1-CG 3.49Å; H81-D83 IonicContact CE1-OD1 3Å; H81-D83 PolarHBondContact CE1-OD1 3.42Å; H81-D83 IonicContact CE1-OD2 3.79Å; H81-D83 PolarHBondContact CE1-OD2 2.94Å; H81-D83 VanDerWaalsContact CE1-OD2 3.26Å; H81-D83 IonicContact ND1-OD1 2.74Å; H81-D83 IonicContact ND1-OD2 3.91Å
82I47.4Very low43.4Very low148 Ų148155.4 Ų155.476%0.75981%0.813SS**  trans-132.3111.7168-60.4-178.8000108.8I84I82-I84 HydrophobicContact CG2-CG1 4.45Å; I82-I84 PolarHBondContact O-N 2.61Å
83D40.7Very low43.5Very low134 Ų134151.5 Ų151.572%0.71780%0.804SS**  trans-70.9119.7173.1-62.2-59.9000110.6H81H81-D83 VanDerWaalsContact CE1-CG 3.49Å; H81-D83 IonicContact CE1-OD1 3Å; H81-D83 PolarHBondContact CE1-OD1 3.42Å; H81-D83 IonicContact CE1-OD2 3.79Å; H81-D83 PolarHBondContact CE1-OD2 2.94Å; H81-D83 VanDerWaalsContact CE1-OD2 3.26Å; H81-D83 IonicContact ND1-OD1 2.74Å; H81-D83 IonicContact ND1-OD2 3.91Å
84I49.2Very low44Very low136 Ų136149.1 Ų149.170%0.69780%0.804SS**  trans-126.5114.4157.8-69.5-178.4000107.1I82 T86I82-I84 HydrophobicContact CG2-CG1 4.45Å; I82-I84 PolarHBondContact O-N 2.61Å; I84-T86 VanDerWaalsContact C-N 3.34Å; I84-T86 PolarHBondContact O-N 3.47Å; I84-T86 PolarHBondContact O-OG1 3.23Å
85E43.4Very low44.3Very low197 Ų197145.5 Ų145.592%0.92179%0.792SS**  trans-63.994.2173.3-65.3-178.2148.200109A87E85-A87 PolarHBondContact O-N 3.47Å
86T43.9Very low44.8Very low126 Ų126147 Ų14777%0.77379%0.793SS**  trans-85.8110174.3-36.90000106.7I84I84-T86 VanDerWaalsContact C-N 3.34Å; I84-T86 PolarHBondContact O-N 3.47Å; I84-T86 PolarHBondContact O-OG1 3.23Å
87A45.8Very low45.6Very low89 Ų89141.6 Ų141.674%0.73677%0.769SS**  trans-68.3145-178.400000111.4E85 D89E85-A87 PolarHBondContact O-N 3.47Å; A87-D89 PolarHBondContact O-N 2.99Å
88D43.3Very low46.5Very low171 Ų171138.8 Ų138.891%0.91475%0.754SS**  trans-60.7125.7174.1-45.2-97.6000110.8
89D46.1Very low47.4Very low158 Ų158136 Ų13685%0.84574%0.739SS**  trans-134.5125.8163.8-164.118.6000107.5A87 E91A87-D89 PolarHBondContact O-N 2.99Å; D89-E91 PolarHBondContact O-N 3.47Å
90D46.9Very low48.3Very low158 Ų158134.9 Ų134.985%0.84573%0.73SS**  trans-69.7116.7-161.2-78.1-70.9000112.8K92D90-K92 PolarHBondContact O-N 3.42Å
91E43.7Very low49.5Very low196 Ų196128.2 Ų128.292%0.91669%0.694SS**  trans-61.893.3168-75.5-162.9132.900111.1D89 P93D89-E91 PolarHBondContact O-N 3.47Å; E91-P93 WeakPolarHBondContact O-CD 3.49Å
92K42.3Very low50.8Low191 Ų191127.3 Ų127.383%0.8368%0.684SS**  trans-92110.5168.6-167.6173.6-175.8179.90109.4D90D90-K92 PolarHBondContact O-N 3.42Å
93P44.4Very low52Low105 Ų105127 Ų12768%0.68268%0.68SS**PPolyproline II helixtrans-61.2148.8178.725.7-34.3000110.6E91E91-P93 WeakPolarHBondContact O-CD 3.49Å
94P45.2Very low53.6Low123 Ų123124.3 Ų124.380%0.79966%0.662SS**PPolyproline II helixtrans-57.9151.8172.726.5-34.2000110.4
95S44.7Very low54.8Low77 Ų77118.8 Ų118.854%0.53863%0.632SS.*PPolyproline II helixtrans-47.9139.5176.8-41.40000110.5I97S95-I97 VanDerWaalsContact C-N 3.31Å; S95-I97 PolarHBondContact O-N 2.95Å
96P50.1Low56.3Low129 Ų129113 Ų11384%0.83861%0.613SS**  trans-66.196.2169.728-32.8000108.8D98P96-D98 PolarHBondContact O-N 3.32Å
97I56.8Low57.9Low57 Ų57112.6 Ų112.629%0.29260%0.603SS.*  trans-56.1118.1158.4-64.6174.5000105.4S95 D101 R102 Y105S95-I97 VanDerWaalsContact C-N 3.31Å; S95-I97 PolarHBondContact O-N 2.95Å; I97-D101 HydrophobicContact CG2-CB 3.71Å; I97-R102 PolarHBondContact O-NH2 2.98Å; I97-Y105 HydrophobicContact CG2-CD2 4.3Å; I97-Y105 HydrophobicContact CG2-CE2 3.82Å
98D62.5Low59.3Low100 Ų100109.4 Ų109.454%0.53557%0.573SS.*  trans-50.4141.3-177.8-156.4-28.7000109.7P96 E100 D101 R102P96-D98 PolarHBondContact O-N 3.32Å; D98-E100 PolarHBondContact O-N 3.1Å; D98-D101 HydrophobicContact CB-CB 4.32Å; D98-D101 WeakPolarHBondContact O-CA 3.38Å; D98-D101 WeakPolarHBondContact O-CB 3.43Å; D98-D101 PolarHBondContact O-N 2.66Å; D98-R102 PolarHBondContact O-N 3.22Å
99D63.4Low60.8Low99 Ų99104.9 Ų104.953%0.52955%0.549SS..Hα-helixtrans-62.3-31.8-176.4-69-41.6000110.1D101 R102 E103D99-D101 PolarHBondContact O-N 3Å; D99-R102 PolarHBondContact O-N 2.8Å; D99-R102 IonicContact OD1-CZ 4Å; D99-R102 IonicContact OD1-NH1 2.68Å; D99-R102 PolarHBondContact OD1-NH1 3.06Å; D99-R102 IonicContact OD1-NH2 2.6Å; D99-R102 PolarHBondContact OD1-NH2 3.29Å; D99-E103 PolarHBondContact O-N 2.83Å
100E66.4Low62.2Low117 Ų117101 Ų10155%0.54753%0.533SS..Hα-helixtrans-60-41.6168.7-70.2-163.8-165.700113.6D98 R102 K104D98-E100 PolarHBondContact O-N 3.1Å; E100-R102 VanDerWaalsContact C-N 3.33Å; E100-K104 WeakPolarHBondContact O-CB 3.01Å; E100-K104 VanDerWaalsContact O-CD 3.22Å; E100-K104 WeakPolarHBondContact O-CD 3.21Å; E100-K104 WeakPolarHBondContact O-CE 3.47Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 2.99Å; E100-K104 IonicContact OE2-NZ 3.65Å; E100-K104 PolarHBondContact OE2-NZ 3.35Å
101D70Confident63.6Low30 Ų3094.8 Ų94.816%0.1650%0.5CS..Hα-helixtrans-67.4-38.1177.6-98.7-29.6000110.2I97 D98 D99 K104 Y105 Y246 K250I97-D101 HydrophobicContact CG2-CB 3.71Å; D98-D101 HydrophobicContact CB-CB 4.32Å; D98-D101 WeakPolarHBondContact O-CA 3.38Å; D98-D101 WeakPolarHBondContact O-CB 3.43Å; D98-D101 PolarHBondContact O-N 2.66Å; D99-D101 PolarHBondContact O-N 3Å; D101-K104 PolarHBondContact O-N 3.44Å; D101-Y105 HydrophobicContact CB-CE2 4.02Å; D101-Y105 WeakPolarHBondContact O-CB 3.3Å; D101-Y105 WeakPolarHBondContact O-CD2 3.37Å; D101-Y105 PolarHBondContact O-N 3.3Å; D101-Y246 PolarHBondContact OD1-OH 2.83Å; D101-K250 IonicContact OD1-NZ 2.7Å; D101-K250 PolarHBondContact OD1-NZ 3.47Å; D101-K250 IonicContact OD2-NZ 2.77Å; D101-K250 PolarHBondContact OD2-NZ 2.86Å
102R69.9Low65.1Low132 Ų13286.6 Ų86.650%0.49846%0.464SS..Hα-helixtrans-66-39.9176.7-159-178-49.311522.3112.4I97 D98 D99 E100 Y105 S106I97-R102 PolarHBondContact O-NH2 2.98Å; D98-R102 PolarHBondContact O-N 3.22Å; D99-R102 PolarHBondContact O-N 2.8Å; D99-R102 IonicContact OD1-CZ 4Å; D99-R102 IonicContact OD1-NH1 2.68Å; D99-R102 PolarHBondContact OD1-NH1 3.06Å; D99-R102 IonicContact OD1-NH2 2.6Å; D99-R102 PolarHBondContact OD1-NH2 3.29Å; E100-R102 VanDerWaalsContact C-N 3.33Å; R102-Y105 PolarHBondContact O-N 2.74Å; R102-S106 PolarHBondContact O-N 2.8Å
103E74Confident66.8Low141 Ų14179.1 Ų79.166%0.65944%0.435SS*.Hα-helixtrans-64.3-43.3171.9-73.3-176.2179.700111.7D99 Y105 S106 H107D99-E103 PolarHBondContact O-N 2.83Å; E103-Y105 PolarHBondContact O-N 2.95Å; E103-S106 PolarHBondContact O-N 3.4Å; E103-S106 PolarHBondContact O-OG 3.3Å; E103-H107 PolarHBondContact O-N 3.01Å
104K74.6Confident68.2Low78 Ų7877.5 Ų77.534%0.33942%0.418SS..Hα-helixtrans-61.4-43.6174.8-68.9158-158.7164.80111.3E100 D101 H107 L108 Y246E100-K104 WeakPolarHBondContact O-CB 3.01Å; E100-K104 VanDerWaalsContact O-CD 3.22Å; E100-K104 WeakPolarHBondContact O-CD 3.21Å; E100-K104 WeakPolarHBondContact O-CE 3.47Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 2.99Å; E100-K104 IonicContact OE2-NZ 3.65Å; E100-K104 PolarHBondContact OE2-NZ 3.35Å; D101-K104 PolarHBondContact O-N 3.44Å; K104-H107 PolarHBondContact O-N 3.5Å; K104-L108 WeakPolarHBondContact O-CB 2.98Å; K104-L108 WeakPolarHBondContact O-CD1 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.49Å; K104-L108 PolarHBondContact O-N 2.84Å; K104-Y246 HydrophobicContact CD-CE2 4.43Å
105Y72.8Confident69.8Low21 Ų2172 Ų728%0.08238%0.384CS..Hα-helixtrans-64.6-41176.3-62.4-33.9000112.5I97 D101 R102 E103 L108 L109 D218 V219 Y246 K250I97-Y105 HydrophobicContact CG2-CD2 4.3Å; I97-Y105 HydrophobicContact CG2-CE2 3.82Å; D101-Y105 HydrophobicContact CB-CE2 4.02Å; D101-Y105 WeakPolarHBondContact O-CB 3.3Å; D101-Y105 WeakPolarHBondContact O-CD2 3.37Å; D101-Y105 PolarHBondContact O-N 3.3Å; R102-Y105 PolarHBondContact O-N 2.74Å; E103-Y105 PolarHBondContact O-N 2.95Å; Y105-L108 PolarHBondContact O-N 2.58Å; Y105-L109 WeakPolarHBondContact O-CB 3.22Å; Y105-L109 VanDerWaalsContact O-CG 3.29Å; Y105-L109 WeakPolarHBondContact O-CG 3.01Å; Y105-L109 PolarHBondContact O-N 3.38Å; Y105-D218 PolarHBondContact OH-O 3.16Å; Y105-V219 VanDerWaalsContact CE1-O 3.28Å; Y105-V219 WeakPolarHBondContact CE1-O 3.45Å; Y105-V219 WeakPolarHBondContact OH-CA 3.44Å; Y105-V219 PolarHBondContact OH-O 2.89Å; Y105-Y246 HydrophobicContact CD1-CE1 4.38Å; Y105-Y246 HydrophobicContact CE1-CD1 4.08Å; Y105-Y246 AromaticContact CE1-CE1 3.61Å; Y105-Y246 HydrophobicContact CE1-CE1 3.61Å; Y105-K250 PolarHBondContact OH-NZ 3.02Å
106S75Confident71.7Confident75 Ų7568.4 Ų68.452%0.52436%0.359SS..Hα-helixtrans-65.1-40.2177.175.20000111.7R102 E103 S110R102-S106 PolarHBondContact O-N 2.8Å; E103-S106 PolarHBondContact O-N 3.4Å; E103-S106 PolarHBondContact O-OG 3.3Å; S106-S110 WeakPolarHBondContact O-CB 3.46Å; S106-S110 PolarHBondContact O-N 3.28Å
107H77.7Confident73.5Confident118 Ų11864.7 Ų64.755%0.54633%0.33SS..Hα-helixtrans-62.8-50172.7-175.4-92.9000111.6E103 K104 L109 S110 L111E103-H107 PolarHBondContact O-N 3.01Å; K104-H107 PolarHBondContact O-N 3.5Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.92Å; H107-S110 WeakPolarHBondContact O-CB 3.37Å; H107-S110 PolarHBondContact O-N 3.21Å; H107-S110 PolarHBondContact O-OG 2.77Å; H107-L111 PolarHBondContact O-N 2.7Å
108L75.6Confident75.1Confident22 Ų2262 Ų6212%0.11532%0.316CS..Hα-helixtrans-63.8-29.9-179-70.6167.9000113.5K104 Y105 L111 N240 A242 C243 Y246K104-L108 WeakPolarHBondContact O-CB 2.98Å; K104-L108 WeakPolarHBondContact O-CD1 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.49Å; K104-L108 PolarHBondContact O-N 2.84Å; Y105-L108 PolarHBondContact O-N 2.58Å; L108-L111 HydrophobicContact CD2-CD1 4.11Å; L108-N240 PolarHBondContact O-ND2 2.99Å; L108-A242 HydrophobicContact CD2-CB 3.74Å; L108-C243 PolarHBondContact O-SG 3.09Å; L108-Y246 HydrophobicContact CD1-CD1 3.95Å; L108-Y246 HydrophobicContact CD1-CD2 4.01Å; L108-Y246 HydrophobicContact CD1-CG 3.6Å
109L74.5Confident76.5Confident76 Ų7660.3 Ų60.340%0.39830%0.304SS..Hα-helixtrans-80.1-21.4171.7-72.7172.3000113.7Y105 H107 L111 P221 Y239Y105-L109 WeakPolarHBondContact O-CB 3.22Å; Y105-L109 VanDerWaalsContact O-CG 3.29Å; Y105-L109 WeakPolarHBondContact O-CG 3.01Å; Y105-L109 PolarHBondContact O-N 3.38Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.92Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-P221 HydrophobicContact CD1-CG 4.1Å; L109-P221 HydrophobicContact CD2-CB 4.33Å; L109-P221 HydrophobicContact CD2-CG 3.75Å; L109-P221 HydrophobicContact CG-CG 4.01Å; L109-Y239 HydrophobicContact CD2-CD1 3.96Å; L109-Y239 HydrophobicContact CD2-CG 4.42Å
110S74.9Confident77.8Confident75 Ų7555.6 Ų55.652%0.52428%0.279SS..Hα-helixtrans-76.5-15.817377.70000113.5S106 H107S106-S110 WeakPolarHBondContact O-CB 3.46Å; S106-S110 PolarHBondContact O-N 3.28Å; H107-S110 WeakPolarHBondContact O-CB 3.37Å; H107-S110 PolarHBondContact O-N 3.21Å; H107-S110 PolarHBondContact O-OG 2.77Å
111L77.1Confident78.9Confident28 Ų2850.2 Ų50.215%0.14726%0.255CS..SBendtrans-67.2149.5170.7-53.9178.1000110.2H107 L108 L109 F143 N240 A242H107-L111 PolarHBondContact O-N 2.7Å; L108-L111 HydrophobicContact CD2-CD1 4.11Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L111-F143 HydrophobicContact CD2-CE1 3.5Å; L111-F143 HydrophobicContact CD2-CE2 4.31Å; L111-F143 HydrophobicContact CD2-CZ 3.31Å; L111-N240 PolarHBondContact O-ND2 2.94Å; L111-A242 HydrophobicContact CD1-CB 3.35Å
112P76.4Confident79.7Confident24 Ų2450.6 Ų50.616%0.15627%0.266CS..PPolyproline II helixtrans-70.3149.4-172.428.1-36.3000113.6F143 A163 F164 N240P112-F143 HydrophobicContact CG-CB 4.04Å; P112-F143 HydrophobicContact CG-CD1 4.28Å; P112-F143 HydrophobicContact CG-CG 4.04Å; P112-A163 HydrophobicContact CG-CB 4.31Å; P112-F164 WeakPolarHBondContact CB-O 3.49Å; P112-F164 WeakPolarHBondContact CG-O 3.34Å; P112-N240 PolarHBondContact O-OD1 2.75Å
113P76.2Confident80.6Confident34 Ų3444.4 Ų44.422%0.22124%0.243CC..PPolyproline II helixtrans-56.7149.2-173.813.7-23.7000113.6G115 S116 Y239 N240P113-G115 PolarHBondContact O-N 3.29Å; P113-S116 WeakPolarHBondContact CD-OG 3.39Å; P113-S116 WeakPolarHBondContact CG-OG 3.14Å; P113-S116 VanDerWaalsContact O-CB 3.24Å; P113-S116 WeakPolarHBondContact O-CB 3.26Å; P113-S116 PolarHBondContact O-N 3.45Å; P113-S116 PolarHBondContact O-OG 2.82Å; P113-Y239 HydrophobicContact CB-CE1 4.48Å; P113-Y239 HydrophobicContact CB-CE2 3.82Å; P113-N240 WeakPolarHBondContact CA-OD1 3.45Å
114H75.3Confident81.1Confident72 Ų7238 Ų3833%0.33321%0.213SC..THydrogen-bonded Turntrans-51.4132.3171166.468.9000112T194 N196 Y239 N240H114-T194 PolarHBondContact CE1-O 3.44Å; H114-T194 PolarHBondContact CE1-OG1 3.27Å; H114-T194 PolarHBondContact ND1-O 2.68Å; H114-T194 PolarHBondContact ND1-OG1 2.87Å; H114-N196 HydrophobicContact CB-CB 3.94Å; H114-N196 PolarHBondContact CD2-ND2 2.87Å; H114-N196 VanDerWaalsContact CD2-ND2 3.35Å; H114-Y239 VanDerWaalsContact CB-O 3.24Å; H114-Y239 WeakPolarHBondContact CB-O 3.33Å; H114-Y239 PolarHBondContact N-O 3.3Å; H114-N240 PolarHBondContact N-OD1 3.49Å
115G78.2Confident81.5Confident7 Ų741.7 Ų41.77%0.07223%0.225CC..THydrogen-bonded Turntrans92-1.7-171.600000114.6P113 E117 L191P113-G115 PolarHBondContact O-N 3.29Å; G115-E117 VanDerWaalsContact C-N 3.28Å; G115-L191 WeakPolarHBondContact O-CD2 3.38Å
116S84.5Confident82Confident2 Ų246.9 Ų46.91%0.01425%0.254CS..  trans-84.1-0170.4-42.30000113.6P113 F164 K167 A170P113-S116 WeakPolarHBondContact CD-OG 3.39Å; P113-S116 WeakPolarHBondContact CG-OG 3.14Å; P113-S116 VanDerWaalsContact O-CB 3.24Å; P113-S116 WeakPolarHBondContact O-CB 3.26Å; P113-S116 PolarHBondContact O-N 3.45Å; P113-S116 PolarHBondContact O-OG 2.82Å; S116-F164 WeakPolarHBondContact CB-O 3.38Å; S116-F164 PolarHBondContact O-N 3.41Å; S116-K167 PolarHBondContact OG-N 2.93Å; S116-K167 VanDerWaalsContact OG-N 3.07Å; S116-A170 WeakPolarHBondContact O-CB 3.48Å
117E87.9Confident82.4Confident50 Ų5043.5 Ų43.523%0.23423%0.23CC..EExtended strand (participates in β ladder)trans-100.9129.3178.3-168.5-169.6115.100110.8G115 F161 V162 A163 S192 T194G115-E117 VanDerWaalsContact C-N 3.28Å; E117-F161 HydrophobicContact CG-CB 4.22Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.32Å; E117-V162 CarbonylContact C-O 3.54Å; E117-V162 WeakPolarHBondContact CA-O 3.37Å; E117-A163 HydrophobicContact CG-CB 4.41Å; E117-S192 VanDerWaalsContact O-CB 3.25Å; E117-S192 WeakPolarHBondContact O-CB 3.25Å; E117-S192 PolarHBondContact O-N 2.83Å; E117-S192 WeakPolarHBondContact OE1-CB 3.13Å; E117-S192 PolarHBondContact OE1-OG 3Å; E117-T194 HydrophobicContact CB-CG2 4.11Å; E117-T194 HydrophobicContact CG-CG2 4.36Å; E117-T194 WeakPolarHBondContact OE1-CG2 3.3Å; E117-T194 WeakPolarHBondContact OE2-CG2 3.29Å
118V90.3Very high82.8Confident0 Ų039.1 Ų39.10%022%0.217CC..EExtended strand (participates in β ladder)trans-107.8125.8179.8179.50000109.4I120 F161 V162 F164 A170 I174 C189 S190V118-I120 HydrophobicContact CG1-CG1 3.97Å; V118-F161 CarbonylContact O-C 3.51Å; V118-F161 WeakPolarHBondContact O-CA 3.35Å; V118-V162 PolarHBondContact N-O 3.02Å; V118-V162 PolarHBondContact O-N 2.77Å; V118-F164 HydrophobicContact CB-CE2 4.14Å; V118-F164 HydrophobicContact CG2-CD2 3.85Å; V118-F164 HydrophobicContact CG2-CE2 3.65Å; V118-A170 HydrophobicContact CG2-CB 3.73Å; V118-A170 WeakPolarHBondContact CG2-O 3.16Å; V118-I174 HydrophobicContact CB-CG1 4.44Å; V118-I174 HydrophobicContact CG1-CD1 4.35Å; V118-I174 HydrophobicContact CG1-CG1 3.69Å; V118-I174 HydrophobicContact CG2-CD1 4.05Å; V118-I174 HydrophobicContact CG2-CG1 3.93Å; V118-C189 HydrophobicContact CG1-CB 4.11Å; V118-S190 CarbonylContact C-O 3.5Å; V118-S190 WeakPolarHBondContact CA-O 3.34Å; V118-S190 WeakPolarHBondContact CG1-O 3.37Å
119F91.3Very high83.5Confident65 Ų6543.2 Ų43.229%0.28524%0.236SC..EExtended strand (participates in β ladder)trans-78.6127.8163.8170.4-93.3000109.1Y159 F161 C189 S190F119-Y159 HydrophobicContact CD2-CD2 4.26Å; F119-Y159 AromaticContact CE2-CD2 3.58Å; F119-Y159 HydrophobicContact CE2-CD2 3.58Å; F119-Y159 HydrophobicContact CE2-CE2 4.4Å; F119-Y159 AromaticContact CE2-CG 3.71Å; F119-Y159 HydrophobicContact CE2-CG 3.71Å; F119-Y159 HydrophobicContact CZ-CD2 4.49Å; F119-Y159 HydrophobicContact CZ-CG 4.19Å; F119-F161 HydrophobicContact CB-CD1 4.17Å; F119-F161 HydrophobicContact CB-CE1 4.06Å; F119-F161 HydrophobicContact CD2-CD1 4.23Å; F119-F161 AromaticContact CD2-CE1 3.64Å; F119-F161 HydrophobicContact CD2-CE1 3.64Å; F119-F161 AromaticContact CD2-CZ 3.83Å; F119-F161 HydrophobicContact CD2-CZ 3.83Å; F119-F161 HydrophobicContact CE2-CZ 4.43Å; F119-F161 HydrophobicContact CG-CE1 4.34Å; F119-C189 CarbonylContact O-C 3.58Å; F119-C189 VanDerWaalsContact O-CA 3.31Å; F119-C189 WeakPolarHBondContact O-CA 3.38Å; F119-S190 PolarHBondContact N-O 3.25Å; F119-S190 PolarHBondContact O-N 3.22Å
120I90.8Very high84.2Confident0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-118.1102.9174.9-53-176.2000108.1V118 L123 Y159 A160 V162 L177 I187V118-I120 HydrophobicContact CG1-CG1 3.97Å; I120-L123 HydrophobicContact CG2-CD2 3.86Å; I120-L123 HydrophobicContact CG2-CG 4.39Å; I120-Y159 CarbonylContact O-C 3.48Å; I120-Y159 WeakPolarHBondContact O-CA 3.35Å; I120-A160 PolarHBondContact N-O 2.97Å; I120-A160 PolarHBondContact O-N 2.86Å; I120-V162 HydrophobicContact CD1-CB 4.45Å; I120-V162 HydrophobicContact CD1-CG2 3.63Å; I120-V162 HydrophobicContact CG1-CG2 4.35Å; I120-L177 HydrophobicContact CD1-CD1 4.5Å; I120-I187 HydrophobicContact CG2-CB 4.19Å; I120-I187 HydrophobicContact CG2-CD1 4.25Å
121G90.4Very high84.9Confident5 Ų545.7 Ų45.75%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-97.9173.7174.400000113.4G158 I187 R188G121-G158 CarbonylContact C-O 3.52Å; G121-I187 CarbonylContact O-C 3.53Å; G121-I187 WeakPolarHBondContact O-CA 3.46Å; G121-R188 PolarHBondContact N-O 3.49Å; G121-R188 PolarHBondContact O-N 3.09Å
122G86.8Confident85.5Confident37 Ų3744.4 Ų44.438%0.38123%0.232SC..SBendtrans85.85.7177.500000114.8G158 K185G122-G158 PolarHBondContact N-O 3.25Å; G122-K185 WeakPolarHBondContact O-CB 3.22Å; G122-K185 VanDerWaalsContact O-CD 3.29Å; G122-K185 WeakPolarHBondContact O-CD 3.15Å
123L88.7Confident86.2Confident2 Ų248.1 Ų48.11%0.0124%0.243CC..  trans-65.3142.6-172.7-58.6178.1000112.7I120 V127 L132 L147 G158 A160 I187I120-L123 HydrophobicContact CG2-CD2 3.86Å; I120-L123 HydrophobicContact CG2-CG 4.39Å; L123-V127 HydrophobicContact CD1-CG1 4.37Å; L123-V127 HydrophobicContact CD2-CG1 4.42Å; L123-L132 HydrophobicContact CD1-CD1 3.9Å; L123-L132 HydrophobicContact CD1-CD2 3.88Å; L123-L132 HydrophobicContact CD1-CG 4.45Å; L123-L132 HydrophobicContact CD2-CD2 3.8Å; L123-L147 HydrophobicContact CD1-CD1 4.23Å; L123-G158 PolarHBondContact N-O 3.39Å; L123-G158 WeakPolarHBondContact O-CA 3.49Å; L123-A160 HydrophobicContact CD1-CB 3.82Å; L123-I187 HydrophobicContact CD2-CG2 3.82Å
124P83.4Confident86.9Confident6 Ų651.5 Ų51.54%0.03926%0.259CS..  trans-61160.8160.9-1221000111.9D126 V127 K183 K185P124-D126 PolarHBondContact O-N 2.98Å; P124-V127 HydrophobicContact CB-CG2 4.23Å; P124-V127 HydrophobicContact CG-CG2 3.87Å; P124-K183 HydrophobicContact CG-CB 4Å; P124-K185 HydrophobicContact CB-CD 4.36Å; P124-K185 HydrophobicContact CG-CB 4.36Å; P124-K185 HydrophobicContact CG-CD 4.08Å; P124-K185 HydrophobicContact CG-CG 4.13Å
125R83.3Confident87.5Confident156 Ų15648.7 Ų48.759%0.58925%0.246SC*.THydrogen-bonded Turntrans-69.6-28.4173.9-68176.4176.5-148.83.9111.4V127 D155R125-V127 PolarHBondContact O-N 2.89Å; R125-D155 WeakPolarHBondContact CD-OD1 3.38Å; R125-D155 IonicContact CZ-OD1 3.84Å; R125-D155 IonicContact CZ-OD2 3.26Å; R125-D155 IonicContact NE-OD1 2.7Å; R125-D155 IonicContact NH1-OD1 3.57Å; R125-D155 PolarHBondContact NH1-OD1 3.11Å; R125-D155 IonicContact NH1-OD2 3.18Å; R125-D155 PolarHBondContact NH1-OD2 3.29Å
126D83.2Confident87.9Confident131 Ų13148.4 Ų48.470%0.70124%0.243SC*.THydrogen-bonded Turntrans-81.216.1-179.4-35.8-85.2000113.9P124 K183P124-D126 PolarHBondContact O-N 2.98Å; D126-K183 PolarHBondContact O-NZ 2.53Å
127V84.8Confident88.2Confident3 Ų353 Ų532%0.01826%0.264CS..  trans-99.8120.7172.21680000109L123 P124 R125 D131 L132 L147 S156 F182 K183L123-V127 HydrophobicContact CD1-CG1 4.37Å; L123-V127 HydrophobicContact CD2-CG1 4.42Å; P124-V127 HydrophobicContact CB-CG2 4.23Å; P124-V127 HydrophobicContact CG-CG2 3.87Å; R125-V127 PolarHBondContact O-N 2.89Å; V127-D131 WeakPolarHBondContact CA-OD2 3.44Å; V127-D131 HydrophobicContact CG1-CB 3.99Å; V127-L132 HydrophobicContact CG1-CD1 4.17Å; V127-L132 HydrophobicContact CG1-CD2 3.86Å; V127-L132 HydrophobicContact CG1-CG 3.69Å; V127-L147 VanDerWaalsContact O-CD2 3.27Å; V127-L147 WeakPolarHBondContact O-CD2 3.34Å; V127-S156 PolarHBondContact O-OG 3.37Å; V127-F182 HydrophobicContact CG1-CE1 4.18Å; V127-F182 HydrophobicContact CG2-CD1 3.91Å; V127-F182 HydrophobicContact CG2-CE1 3.74Å; V127-K183 HydrophobicContact CG2-CD 3.86Å; V127-K183 HydrophobicContact CG2-CG 4.44Å
128G86.2Confident88.2Confident26 Ų2656.9 Ų56.927%0.26828%0.282SS..  trans-87.3-177.8171.100000112.7D131G128-D131 PolarHBondContact N-OD2 3.19Å
129E89.8Confident88Confident109 Ų10957.6 Ų57.651%0.50929%0.286SS..Hα-helixtrans-71.6-38.8174.5-162.3177.2118.100111.2L132 R133 V145E129-L132 PolarHBondContact O-N 2.74Å; E129-R133 WeakPolarHBondContact O-CB 3.45Å; E129-R133 PolarHBondContact O-N 2.97Å; E129-V145 HydrophobicContact CG-CB 3.7Å; E129-V145 HydrophobicContact CG-CG1 3.53Å
130E89.9Confident87.8Confident155 Ų15555.5 Ų55.572%0.72428%0.282SS*.Hα-helixtrans-58.6-47.2176.4-61.1172167.100111.7L132 R133 D134E130-L132 VanDerWaalsContact C-N 3.26Å; E130-L132 PolarHBondContact O-N 2.93Å; E130-R133 WeakPolarHBondContact O-CB 3.14Å; E130-R133 PolarHBondContact O-N 3.27Å; E130-R133 VanDerWaalsContact O-N 3.12Å; E130-D134 PolarHBondContact O-N 2.93Å
131D89.5Confident87.7Confident48 Ų4861.1 Ų61.126%0.25731%0.309SS..Hα-helixtrans-54.7-39.5175.7-71.9-67.8000113.3V127 G128 L135 F182 K183V127-D131 WeakPolarHBondContact CA-OD2 3.44Å; V127-D131 HydrophobicContact CG1-CB 3.99Å; G128-D131 PolarHBondContact N-OD2 3.19Å; D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.39Å; D131-F182 HydrophobicContact CB-CE1 4.08Å; D131-F182 HydrophobicContact CB-CZ 4.02Å; D131-K183 WeakPolarHBondContact OD1-CE 3.36Å; D131-K183 IonicContact OD1-NZ 3.15Å; D131-K183 PolarHBondContact OD1-NZ 2.7Å; D131-K183 IonicContact OD2-NZ 2.78Å; D131-K183 PolarHBondContact OD2-NZ 3.46Å
132L89.2Confident87.7Confident0 Ų062.7 Ų62.70%032%0.315CS..Hα-helixtrans-77.7-36.1180-66.1170.2000111.5L123 V127 E129 E130 C136 V145 L147 A160L123-L132 HydrophobicContact CD1-CD1 3.9Å; L123-L132 HydrophobicContact CD1-CD2 3.88Å; L123-L132 HydrophobicContact CD1-CG 4.45Å; L123-L132 HydrophobicContact CD2-CD2 3.8Å; V127-L132 HydrophobicContact CG1-CD1 4.17Å; V127-L132 HydrophobicContact CG1-CD2 3.86Å; V127-L132 HydrophobicContact CG1-CG 3.69Å; E129-L132 PolarHBondContact O-N 2.74Å; E130-L132 VanDerWaalsContact C-N 3.26Å; E130-L132 PolarHBondContact O-N 2.93Å; L132-C136 VanDerWaalsContact O-CB 3.3Å; L132-C136 WeakPolarHBondContact O-CB 3.41Å; L132-C136 PolarHBondContact O-N 3.46Å; L132-C136 PolarHBondContact O-SG 2.66Å; L132-V145 HydrophobicContact CB-CG1 4.1Å; L132-V145 HydrophobicContact CD1-CG1 4.32Å; L132-L147 HydrophobicContact CD1-CD1 4.23Å; L132-A160 HydrophobicContact CD1-CB 3.38Å
133R91.2Very high87.7Confident103 Ų10365.5 Ų65.539%0.38932%0.318SS..Hα-helixtrans-60.8-51.6175.1-168.4-171.3164.9-65.4-20.5109.8E129 E130 L135 C136 E137 I142 V145E129-R133 WeakPolarHBondContact O-CB 3.45Å; E129-R133 PolarHBondContact O-N 2.97Å; E130-R133 WeakPolarHBondContact O-CB 3.14Å; E130-R133 PolarHBondContact O-N 3.27Å; E130-R133 VanDerWaalsContact O-N 3.12Å; R133-L135 PolarHBondContact O-N 2.94Å; R133-C136 PolarHBondContact O-N 2.82Å; R133-E137 IonicContact CZ-OE1 3.63Å; R133-E137 IonicContact CZ-OE2 3.27Å; R133-E137 VanDerWaalsContact CZ-OE2 3.27Å; R133-E137 IonicContact NH1-OE1 3.78Å; R133-E137 IonicContact NH1-OE2 2.66Å; R133-E137 PolarHBondContact NH1-OE2 2.98Å; R133-E137 VanDerWaalsContact NH2-CD 3.26Å; R133-E137 IonicContact NH2-OE1 2.79Å; R133-E137 PolarHBondContact NH2-OE1 2.91Å; R133-E137 IonicContact NH2-OE2 2.85Å; R133-E137 PolarHBondContact NH2-OE2 2.96Å; R133-E137 VanDerWaalsContact NH2-OE2 3.15Å; R133-E137 VanDerWaalsContact O-CB 3.24Å; R133-E137 WeakPolarHBondContact O-CB 3.47Å; R133-E137 PolarHBondContact O-N 3.37Å; R133-I142 HydrophobicContact CB-CD1 4.4Å; R133-I142 HydrophobicContact CG-CD1 3.92Å; R133-I142 WeakPolarHBondContact O-CD1 3.18Å; R133-V145 HydrophobicContact CB-CG2 4.19Å; R133-V145 HydrophobicContact CG-CG2 4.4Å
134D90.4Very high87.6Confident104 Ų10470.2 Ų70.256%0.55634%0.339SS*.Hα-helixtrans-62-41.8179.3-66.7-2.8000111.7E130 C136 E138E130-D134 PolarHBondContact O-N 2.93Å; D134-C136 VanDerWaalsContact C-N 3.32Å; D134-C136 PolarHBondContact O-N 2.9Å; D134-E138 PolarHBondContact O-N 3.3Å
135L87.8Confident87.9Confident14 Ų1470.8 Ų70.87%0.07334%0.343CS..Hα-helixtrans-64.3-32.2177.2179.664.1000113.6D131 R133 L177 K180 F182 I187D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.39Å; R133-L135 PolarHBondContact O-N 2.94Å; L135-L177 HydrophobicContact CD1-CD2 3.78Å; L135-L177 HydrophobicContact CD2-CD2 4.27Å; L135-L177 HydrophobicContact CG-CD1 4.34Å; L135-L177 HydrophobicContact CG-CD2 3.87Å; L135-K180 HydrophobicContact CD1-CD 4.3Å; L135-F182 HydrophobicContact CB-CE2 4.26Å; L135-F182 HydrophobicContact CB-CZ 4.39Å; L135-F182 HydrophobicContact CD1-CD2 4.25Å; L135-F182 HydrophobicContact CD1-CE2 4.16Å; L135-F182 HydrophobicContact CD2-CD1 4.39Å; L135-F182 HydrophobicContact CD2-CD2 3.85Å; L135-F182 HydrophobicContact CD2-CE1 4.43Å; L135-F182 HydrophobicContact CD2-CE2 3.9Å; L135-F182 HydrophobicContact CD2-CG 4.11Å; L135-F182 HydrophobicContact CD2-CZ 4.19Å; L135-F182 HydrophobicContact CG-CE2 4.34Å; L135-I187 HydrophobicContact CD2-CD1 3.74Å
136C87.3Confident88.2Confident0 Ų069.9 Ų69.90%034%0.339CS..Hα-helixtrans-93-26-177.5-67.50000112.5L132 R133 D134 E138 I139 G140 I142 V162 F164L132-C136 VanDerWaalsContact O-CB 3.3Å; L132-C136 WeakPolarHBondContact O-CB 3.41Å; L132-C136 PolarHBondContact O-N 3.46Å; L132-C136 PolarHBondContact O-SG 2.66Å; R133-C136 PolarHBondContact O-N 2.82Å; D134-C136 VanDerWaalsContact C-N 3.32Å; D134-C136 PolarHBondContact O-N 2.9Å; C136-E138 PolarHBondContact O-N 2.91Å; C136-I139 WeakPolarHBondContact O-CB 3.48Å; C136-I139 PolarHBondContact O-N 2.93Å; C136-G140 PolarHBondContact O-N 2.91Å; C136-G140 VanDerWaalsContact O-N 3.16Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.96Å; C136-V162 HydrophobicContact CB-CG1 4.14Å; C136-F164 HydrophobicContact CB-CE1 3.87Å; C136-F164 HydrophobicContact CB-CZ 3.66Å
137E89.7Confident88.5Confident100 Ų10064.4 Ų64.447%0.46731%0.31SS..Hα-helixtrans-69.8-22.6176.4-171.1164.6-13300111.9R133 I139 I142R133-E137 IonicContact CZ-OE1 3.63Å; R133-E137 IonicContact CZ-OE2 3.27Å; R133-E137 VanDerWaalsContact CZ-OE2 3.27Å; R133-E137 IonicContact NH1-OE1 3.78Å; R133-E137 IonicContact NH1-OE2 2.66Å; R133-E137 PolarHBondContact NH1-OE2 2.98Å; R133-E137 VanDerWaalsContact NH2-CD 3.26Å; R133-E137 IonicContact NH2-OE1 2.79Å; R133-E137 PolarHBondContact NH2-OE1 2.91Å; R133-E137 IonicContact NH2-OE2 2.85Å; R133-E137 PolarHBondContact NH2-OE2 2.96Å; R133-E137 VanDerWaalsContact NH2-OE2 3.15Å; R133-E137 VanDerWaalsContact O-CB 3.24Å; R133-E137 WeakPolarHBondContact O-CB 3.47Å; R133-E137 PolarHBondContact O-N 3.37Å; E137-I139 PolarHBondContact O-N 2.86Å; E137-I142 HydrophobicContact CB-CD1 4.28Å
138E88.1Confident88.7Confident131 Ų13166.5 Ų66.561%0.61232%0.32SS*.THydrogen-bonded Turntrans-56.3-26.6164.5179.4170.5-120.600112.6D134 C136 K180D134-E138 PolarHBondContact O-N 3.3Å; C136-E138 PolarHBondContact O-N 2.91Å; E138-K180 IonicContact OE2-NZ 3.98Å; E138-K180 PolarHBondContact OE2-NZ 2.82Å
139I87Confident88.8Confident15 Ų1571 Ų718%0.07733%0.332CS..THydrogen-bonded Turntrans-106.8-32.9-170.5-61.2168.6000112.2C136 E137 K172 A173 E176 L177C136-I139 WeakPolarHBondContact O-CB 3.48Å; C136-I139 PolarHBondContact O-N 2.93Å; E137-I139 PolarHBondContact O-N 2.86Å; I139-K172 HydrophobicContact CG2-CB 4.39Å; I139-K172 HydrophobicContact CG2-CD 4.18Å; I139-K172 HydrophobicContact CG2-CG 4.02Å; I139-A173 HydrophobicContact CD1-CB 4.29Å; I139-A173 HydrophobicContact CG2-CB 3.92Å; I139-E176 HydrophobicContact CD1-CB 4.28Å; I139-E176 HydrophobicContact CD1-CG 4.26Å; I139-L177 HydrophobicContact CD1-CD1 3.77Å; I139-L177 HydrophobicContact CD1-CD2 3.61Å; I139-L177 HydrophobicContact CD1-CG 3.43Å; I139-L177 VanDerWaalsContact CD1-CG 3.43Å
140G86.9Confident88.5Confident20 Ų2068 Ų6821%0.20632%0.32CS..SBendtrans167.7-178.2171.200000114.5C136 I142C136-G140 PolarHBondContact O-N 2.91Å; C136-G140 VanDerWaalsContact O-N 3.16Å; G140-I142 PolarHBondContact O-N 3.43Å
141E88.5Confident88Confident118 Ų11870.7 Ų70.755%0.55132%0.323SS*.  trans-64.6116.1-173.7-67.7-178.1-160.500112.9K165E141-K165 HydrophobicContact CB-CB 4.2Å; E141-K165 HydrophobicContact CB-CD 4.14Å; E141-K165 PolarHBondContact O-N 2.81Å; E141-K165 IonicContact OE1-NZ 2.66Å; E141-K165 WeakPolarHBondContact OE2-CD 3.46Å; E141-K165 WeakPolarHBondContact OE2-CE 3.48Å; E141-K165 IonicContact OE2-NZ 2.73Å; E141-K165 PolarHBondContact OE2-NZ 3.31Å
142I89.7Confident87.6Confident38 Ų3874 Ų7420%0.19534%0.341CS..EExtended strand (participates in β ladder)trans-84.4138.5173.4-52.7167.9000109.6R133 C136 E137 G140 V145 V162 F164R133-I142 HydrophobicContact CB-CD1 4.4Å; R133-I142 HydrophobicContact CG-CD1 3.92Å; R133-I142 WeakPolarHBondContact O-CD1 3.18Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.96Å; E137-I142 HydrophobicContact CB-CD1 4.28Å; G140-I142 PolarHBondContact O-N 3.43Å; I142-V145 HydrophobicContact CD1-CG2 4.41Å; I142-V145 HydrophobicContact CG2-CG2 3.72Å; I142-V162 HydrophobicContact CD1-CG1 4.49Å; I142-V162 HydrophobicContact CG1-CG1 4.26Å; I142-V162 HydrophobicContact CG2-CG1 3.83Å; I142-F164 HydrophobicContact CG1-CD1 4.19Å; I142-F164 HydrophobicContact CG1-CE1 3.99Å
143F86.2Confident87.1Confident97 Ų9777.9 Ų77.943%0.42537%0.368SS..EExtended strand (participates in β ladder)trans-95.2-48.3172.2-173.7-86.2000112.3L111 P112 A163L111-F143 HydrophobicContact CD2-CE1 3.5Å; L111-F143 HydrophobicContact CD2-CE2 4.31Å; L111-F143 HydrophobicContact CD2-CZ 3.31Å; P112-F143 HydrophobicContact CG-CB 4.04Å; P112-F143 HydrophobicContact CG-CD1 4.28Å; P112-F143 HydrophobicContact CG-CG 4.04Å; F143-A163 WeakPolarHBondContact CA-O 3.24Å; F143-A163 HydrophobicContact CB-CB 4.45Å; F143-A163 WeakPolarHBondContact CB-O 3.33Å; F143-A163 PolarHBondContact N-O 2.85Å
144E87.8Confident86.4Confident101 Ų10175.2 Ų75.247%0.47237%0.372SS..EExtended strand (participates in β ladder)trans-144.8141.2-179.9-175.3-177.6152.800110.2A163E144-A163 HydrophobicContact CB-CB 4.14Å; E144-A163 PolarHBondContact N-O 2.92Å; E144-A163 PolarHBondContact O-N 2.82Å
145V89.9Confident85.8Confident17 Ų1772.6 Ų72.610%0.10336%0.358CS..EExtended strand (participates in β ladder)trans-116.1134166.8-174.60000108E129 L132 R133 I142 V162E129-V145 HydrophobicContact CG-CB 3.7Å; E129-V145 HydrophobicContact CG-CG1 3.53Å; L132-V145 HydrophobicContact CB-CG1 4.1Å; L132-V145 HydrophobicContact CD1-CG1 4.32Å; R133-V145 HydrophobicContact CB-CG2 4.19Å; R133-V145 HydrophobicContact CG-CG2 4.4Å; I142-V145 HydrophobicContact CD1-CG2 4.41Å; I142-V145 HydrophobicContact CG2-CG2 3.72Å; V145-V162 HydrophobicContact CG1-CG2 4.31Å
146R88.6Confident85.5Confident137 Ų13772.4 Ų72.452%0.51736%0.358SS..EExtended strand (participates in β ladder)trans-134.588.9-178.6-173.7172.2176.2175-0.3111M148 A160 F161R146-M148 HydrophobicContact CG-CE 4.22Å; R146-M148 HydrophobicContact CG-SD 4.4Å; R146-M148 VanDerWaalsContact NE-CE 3.34Å; R146-M148 PolarHBondContact O-N 2.83Å; R146-A160 WeakPolarHBondContact O-CA 3.37Å; R146-F161 HydrophobicContact CB-CB 4.44Å; R146-F161 PolarHBondContact N-O 2.85Å; R146-F161 PolarHBondContact O-N 2.9Å
147L90.1Very high85.4Confident17 Ų1777.1 Ų77.19%0.08938%0.379CS..EExtended strand (participates in β ladder)trans-73.3115173.8176.558.9000110.3L123 V127 L132 K149 A160L123-L147 HydrophobicContact CD1-CD1 4.23Å; V127-L147 VanDerWaalsContact O-CD2 3.27Å; V127-L147 WeakPolarHBondContact O-CD2 3.34Å; L132-L147 HydrophobicContact CD1-CD1 4.23Å; L147-K149 VanDerWaalsContact CD2-CE 3.5Å; L147-K149 HydrophobicContact CG-CG 4.31Å; L147-K149 PolarHBondContact O-N 2.83Å; L147-A160 HydrophobicContact CB-CB 4.44Å; L147-A160 HydrophobicContact CD1-CB 4.06Å
148M88.5Confident85.2Confident47 Ų4773.1 Ų73.123%0.23237%0.365CS..EExtended strand (participates in β ladder)trans-80.7112.1-179.5-68.9-67-166.900109.9R146 K157 Y159 F161R146-M148 HydrophobicContact CG-CE 4.22Å; R146-M148 HydrophobicContact CG-SD 4.4Å; R146-M148 VanDerWaalsContact NE-CE 3.34Å; R146-M148 PolarHBondContact O-N 2.83Å; M148-K157 WeakPolarHBondContact O-CB 3.19Å; M148-K157 WeakPolarHBondContact O-CG 3.4Å; M148-K157 PolarHBondContact O-N 3.01Å; M148-Y159 HydrophobicContact CB-CD2 3.95Å; M148-Y159 HydrophobicContact CB-CE2 3.61Å; M148-Y159 HydrophobicContact CG-CD2 4.02Å; M148-Y159 HydrophobicContact CG-CE2 3.59Å; M148-Y159 PolarHBondContact N-O 3.44Å; M148-F161 HydrophobicContact CE-CD2 3.74Å; M148-F161 HydrophobicContact CE-CE2 3.61Å; M148-F161 HydrophobicContact CG-CD2 4Å; M148-F161 HydrophobicContact CG-CE2 3.88Å
149K88.2Confident85.4Confident121 Ų12170.6 Ų70.653%0.52635%0.35SS..EExtended strand (participates in β ladder)trans-100.8153175-61.5-175.9-179.9177.70110.7L147 D155 K157L147-K149 VanDerWaalsContact CD2-CE 3.5Å; L147-K149 HydrophobicContact CG-CG 4.31Å; L147-K149 PolarHBondContact O-N 2.83Å; K149-D155 CarbonylContact C-O 3.53Å; K149-D155 WeakPolarHBondContact CA-O 3.29Å; K149-K157 VanDerWaalsContact O-CE 3.29Å; K149-K157 WeakPolarHBondContact O-CE 3.45Å
150D84.9Confident85.6Confident45 Ų4569.9 Ų69.924%0.24135%0.347CS..  trans-77.4136.3171-168.358.7000111.2D152 S153 G154 D155 K157D150-D152 VanDerWaalsContact C-N 3.29Å; D150-D152 PolarHBondContact O-N 3.44Å; D150-D152 PolarHBondContact OD2-N 3.07Å; D150-D152 VanDerWaalsContact OD2-N 3.1Å; D150-S153 PolarHBondContact OD2-N 2.95Å; D150-S153 VanDerWaalsContact OD2-N 3.09Å; D150-G154 WeakPolarHBondContact O-CA 3.29Å; D150-G154 PolarHBondContact O-N 3.14Å; D150-D155 PolarHBondContact N-O 3.41Å; D150-K157 HydrophobicContact CB-CG 4.12Å; D150-K157 WeakPolarHBondContact OD1-CE 3.32Å; D150-K157 IonicContact OD1-NZ 3.72Å; D150-K157 PolarHBondContact OD1-NZ 2.65Å
151R79.5Confident85.8Confident211 Ų21170.9 Ų70.980%0.79635%0.345SS*.THydrogen-bonded Turntrans-70.8-32.6-175.5-173.9-166.162.7-152.9-15.1111
152D79.4Confident85.9Confident119 Ų11965.3 Ų65.364%0.63632%0.319SS*.THydrogen-bonded Turntrans-99-30.5-164.8-55.3-35.2000111.2D150D150-D152 VanDerWaalsContact C-N 3.29Å; D150-D152 PolarHBondContact O-N 3.44Å; D150-D152 PolarHBondContact OD2-N 3.07Å; D150-D152 VanDerWaalsContact OD2-N 3.1Å
153S78.7Confident85.9Confident80 Ų8064.1 Ų64.156%0.55932%0.315SS*.THydrogen-bonded Turntrans-97.2-23.1169.2-1560000114.8D150 D155D150-S153 PolarHBondContact OD2-N 2.95Å; D150-S153 VanDerWaalsContact OD2-N 3.09Å; S153-D155 VanDerWaalsContact CB-OD2 3.3Å; S153-D155 WeakPolarHBondContact CB-OD2 3.33Å; S153-D155 PolarHBondContact O-N 3.46Å; S153-D155 PolarHBondContact OG-OD2 3.31Å
154G77.6Confident86.1Confident47 Ų4759.5 Ų59.549%0.48530%0.295SS..  trans77.2-14.9-171.700000115D150D150-G154 WeakPolarHBondContact O-CA 3.29Å; D150-G154 PolarHBondContact O-N 3.14Å
155D78Confident86Confident49 Ų4960.3 Ų60.326%0.26230%0.297SS..  trans-56.8146.9174.3-73.3-69.6000113R125 K149 D150 S153 K157R125-D155 WeakPolarHBondContact CD-OD1 3.38Å; R125-D155 IonicContact CZ-OD1 3.84Å; R125-D155 IonicContact CZ-OD2 3.26Å; R125-D155 IonicContact NE-OD1 2.7Å; R125-D155 IonicContact NH1-OD1 3.57Å; R125-D155 PolarHBondContact NH1-OD1 3.11Å; R125-D155 IonicContact NH1-OD2 3.18Å; R125-D155 PolarHBondContact NH1-OD2 3.29Å; K149-D155 CarbonylContact C-O 3.53Å; K149-D155 WeakPolarHBondContact CA-O 3.29Å; D150-D155 PolarHBondContact N-O 3.41Å; S153-D155 VanDerWaalsContact CB-OD2 3.3Å; S153-D155 WeakPolarHBondContact CB-OD2 3.33Å; S153-D155 PolarHBondContact O-N 3.46Å; S153-D155 PolarHBondContact OG-OD2 3.31Å; D155-K157 PolarHBondContact O-N 3.12Å
156S81.9Confident85.9Confident10 Ų1062.1 Ų62.17%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-62.1131.1165.2-57.90000111V127 G158V127-S156 PolarHBondContact O-OG 3.37Å; S156-G158 PolarHBondContact O-N 3.1Å
157K84.5Confident85.8Confident99 Ų9960 Ų6043%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-698.8-179.9-62.6-161.2176.1-140.80114.5M148 K149 D150 D155 Y159M148-K157 WeakPolarHBondContact O-CB 3.19Å; M148-K157 WeakPolarHBondContact O-CG 3.4Å; M148-K157 PolarHBondContact O-N 3.01Å; K149-K157 VanDerWaalsContact O-CE 3.29Å; K149-K157 WeakPolarHBondContact O-CE 3.45Å; D150-K157 HydrophobicContact CB-CG 4.12Å; D150-K157 WeakPolarHBondContact OD1-CE 3.32Å; D150-K157 IonicContact OD1-NZ 3.72Å; D150-K157 PolarHBondContact OD1-NZ 2.65Å; D155-K157 PolarHBondContact O-N 3.12Å; K157-Y159 VanDerWaalsContact C-N 3.27Å; K157-Y159 HydrophobicContact CB-CD1 3.8Å; K157-Y159 HydrophobicContact CB-CE1 3.49Å; K157-Y159 VanDerWaalsContact CB-CE1 3.49Å; K157-Y159 HydrophobicContact CD-CE1 4.14Å; K157-Y159 HydrophobicContact CG-CE1 4.41Å; K157-Y159 WeakPolarHBondContact O-CD1 3.3Å; K157-Y159 PolarHBondContact O-N 2.95Å
158G86.2Confident85.7Confident17 Ų1765 Ų6518%0.17533%0.329CS..EExtended strand (participates in β ladder)trans74.612.1-174.100000114.4G121 G122 L123 S156G121-G158 CarbonylContact C-O 3.52Å; G122-G158 PolarHBondContact N-O 3.25Å; L123-G158 PolarHBondContact N-O 3.39Å; L123-G158 WeakPolarHBondContact O-CA 3.49Å; S156-G158 PolarHBondContact O-N 3.1Å
159Y90.6Very high85.7Confident78 Ų7864.4 Ų64.431%0.30633%0.328SS..EExtended strand (participates in β ladder)trans-147.5156.8173.866.2-88.9000113.8F119 I120 M148 K157 F161F119-Y159 HydrophobicContact CD2-CD2 4.26Å; F119-Y159 AromaticContact CE2-CD2 3.58Å; F119-Y159 HydrophobicContact CE2-CD2 3.58Å; F119-Y159 HydrophobicContact CE2-CE2 4.4Å; F119-Y159 AromaticContact CE2-CG 3.71Å; F119-Y159 HydrophobicContact CE2-CG 3.71Å; F119-Y159 HydrophobicContact CZ-CD2 4.49Å; F119-Y159 HydrophobicContact CZ-CG 4.19Å; I120-Y159 CarbonylContact O-C 3.48Å; I120-Y159 WeakPolarHBondContact O-CA 3.35Å; M148-Y159 HydrophobicContact CB-CD2 3.95Å; M148-Y159 HydrophobicContact CB-CE2 3.61Å; M148-Y159 HydrophobicContact CG-CD2 4.02Å; M148-Y159 HydrophobicContact CG-CE2 3.59Å; M148-Y159 PolarHBondContact N-O 3.44Å; K157-Y159 VanDerWaalsContact C-N 3.27Å; K157-Y159 HydrophobicContact CB-CD1 3.8Å; K157-Y159 HydrophobicContact CB-CE1 3.49Å; K157-Y159 VanDerWaalsContact CB-CE1 3.49Å; K157-Y159 HydrophobicContact CD-CE1 4.14Å; K157-Y159 HydrophobicContact CG-CE1 4.41Å; K157-Y159 WeakPolarHBondContact O-CD1 3.3Å; K157-Y159 PolarHBondContact O-N 2.95Å; Y159-F161 AromaticContact CD2-CE2 3.98Å; Y159-F161 HydrophobicContact CD2-CE2 3.98Å; Y159-F161 HydrophobicContact CD2-CZ 4.41Å; Y159-F161 AromaticContact CE2-CE2 3.87Å; Y159-F161 HydrophobicContact CE2-CE2 3.87Å; Y159-F161 HydrophobicContact CE2-CZ 4.34Å
160A91.1Very high85.8Confident0 Ų058.6 Ų58.60%030%0.303CS..EExtended strand (participates in β ladder)trans-141.7167.1176.500000110.8I120 L123 L132 R146 L147I120-A160 PolarHBondContact N-O 2.97Å; I120-A160 PolarHBondContact O-N 2.86Å; L123-A160 HydrophobicContact CD1-CB 3.82Å; L132-A160 HydrophobicContact CD1-CB 3.38Å; R146-A160 WeakPolarHBondContact O-CA 3.37Å; L147-A160 HydrophobicContact CB-CB 4.44Å; L147-A160 HydrophobicContact CD1-CB 4.06Å
161F91.3Very high86Confident41 Ų4160.7 Ų60.718%0.1831%0.311CS..EExtended strand (participates in β ladder)trans-118.5140.6169.1-61.1-88.2000109.5E117 V118 F119 R146 M148 Y159 S192E117-F161 HydrophobicContact CG-CB 4.22Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.32Å; V118-F161 CarbonylContact O-C 3.51Å; V118-F161 WeakPolarHBondContact O-CA 3.35Å; F119-F161 HydrophobicContact CB-CD1 4.17Å; F119-F161 HydrophobicContact CB-CE1 4.06Å; F119-F161 HydrophobicContact CD2-CD1 4.23Å; F119-F161 AromaticContact CD2-CE1 3.64Å; F119-F161 HydrophobicContact CD2-CE1 3.64Å; F119-F161 AromaticContact CD2-CZ 3.83Å; F119-F161 HydrophobicContact CD2-CZ 3.83Å; F119-F161 HydrophobicContact CE2-CZ 4.43Å; F119-F161 HydrophobicContact CG-CE1 4.34Å; R146-F161 HydrophobicContact CB-CB 4.44Å; R146-F161 PolarHBondContact N-O 2.85Å; R146-F161 PolarHBondContact O-N 2.9Å; M148-F161 HydrophobicContact CE-CD2 3.74Å; M148-F161 HydrophobicContact CE-CE2 3.61Å; M148-F161 HydrophobicContact CG-CD2 4Å; M148-F161 HydrophobicContact CG-CE2 3.88Å; Y159-F161 AromaticContact CD2-CE2 3.98Å; Y159-F161 HydrophobicContact CD2-CE2 3.98Å; Y159-F161 HydrophobicContact CD2-CZ 4.41Å; Y159-F161 AromaticContact CE2-CE2 3.87Å; Y159-F161 HydrophobicContact CE2-CE2 3.87Å; Y159-F161 HydrophobicContact CE2-CZ 4.34Å; F161-S192 VanDerWaalsContact CD1-OG 3.22Å; F161-S192 WeakPolarHBondContact CD1-OG 3.48Å; F161-S192 VanDerWaalsContact CE1-OG 3.24Å; F161-S192 WeakPolarHBondContact CE1-OG 3.38Å
162V90.8Very high86.5Confident0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-128.8110.7178-1780000108.4E117 V118 I120 C136 I142 V145 F164E117-V162 CarbonylContact C-O 3.54Å; E117-V162 WeakPolarHBondContact CA-O 3.37Å; V118-V162 PolarHBondContact N-O 3.02Å; V118-V162 PolarHBondContact O-N 2.77Å; I120-V162 HydrophobicContact CD1-CB 4.45Å; I120-V162 HydrophobicContact CD1-CG2 3.63Å; I120-V162 HydrophobicContact CG1-CG2 4.35Å; C136-V162 HydrophobicContact CB-CG1 4.14Å; I142-V162 HydrophobicContact CD1-CG1 4.49Å; I142-V162 HydrophobicContact CG1-CG1 4.26Å; I142-V162 HydrophobicContact CG2-CG1 3.83Å; V145-V162 HydrophobicContact CG1-CG2 4.31Å; V162-F164 HydrophobicContact CB-CE2 4.17Å; V162-F164 HydrophobicContact CG1-CD2 4.14Å; V162-F164 HydrophobicContact CG1-CE1 4.32Å; V162-F164 HydrophobicContact CG1-CE2 3.67Å; V162-F164 HydrophobicContact CG1-CZ 3.8Å
163A90.2Very high87Confident13 Ų1349.4 Ų49.411%0.10726%0.262CS..EExtended strand (participates in β ladder)trans-85.4115.7172.300000109.1P112 E117 F143 E144P112-A163 HydrophobicContact CG-CB 4.31Å; E117-A163 HydrophobicContact CG-CB 4.41Å; F143-A163 WeakPolarHBondContact CA-O 3.24Å; F143-A163 HydrophobicContact CB-CB 4.45Å; F143-A163 WeakPolarHBondContact CB-O 3.33Å; F143-A163 PolarHBondContact N-O 2.85Å; E144-A163 HydrophobicContact CB-CB 4.14Å; E144-A163 PolarHBondContact N-O 2.92Å; E144-A163 PolarHBondContact O-N 2.82Å
164F90.3Very high87.5Confident0 Ų046.8 Ų46.80%024%0.242CC..EExtended strand (participates in β ladder)trans-88.7159.9170-67-86.9000110.8P112 S116 V118 C136 I142 V162 T166 V169 A170 A173P112-F164 WeakPolarHBondContact CB-O 3.49Å; P112-F164 WeakPolarHBondContact CG-O 3.34Å; S116-F164 WeakPolarHBondContact CB-O 3.38Å; S116-F164 PolarHBondContact O-N 3.41Å; V118-F164 HydrophobicContact CB-CE2 4.14Å; V118-F164 HydrophobicContact CG2-CD2 3.85Å; V118-F164 HydrophobicContact CG2-CE2 3.65Å; C136-F164 HydrophobicContact CB-CE1 3.87Å; C136-F164 HydrophobicContact CB-CZ 3.66Å; I142-F164 HydrophobicContact CG1-CD1 4.19Å; I142-F164 HydrophobicContact CG1-CE1 3.99Å; V162-F164 HydrophobicContact CB-CE2 4.17Å; V162-F164 HydrophobicContact CG1-CD2 4.14Å; V162-F164 HydrophobicContact CG1-CE1 4.32Å; V162-F164 HydrophobicContact CG1-CE2 3.67Å; V162-F164 HydrophobicContact CG1-CZ 3.8Å; F164-T166 PolarHBondContact O-N 3.1Å; F164-V169 HydrophobicContact CB-CB 4.32Å; F164-V169 HydrophobicContact CB-CG1 4.08Å; F164-V169 HydrophobicContact CD1-CG1 3.43Å; F164-V169 VanDerWaalsContact CD1-CG1 3.43Å; F164-V169 HydrophobicContact CE1-CG1 4Å; F164-V169 HydrophobicContact CG-CG1 3.89Å; F164-A170 HydrophobicContact CB-CB 4.28Å; F164-A170 HydrophobicContact CD2-CB 3.9Å; F164-A170 HydrophobicContact CG-CB 4.44Å; F164-A173 HydrophobicContact CD2-CB 4.47Å; F164-A173 HydrophobicContact CE1-CB 4.29Å; F164-A173 HydrophobicContact CE2-CB 3.59Å; F164-A173 HydrophobicContact CZ-CB 3.46Å; F164-A173 VanDerWaalsContact CZ-CB 3.46Å
165K86.7Confident88.1Confident118 Ų11851.3 Ų51.351%0.51325%0.25SS..SBendtrans-63.5-25.8178.4-171.5170.3175.6174.60114.1E141E141-K165 HydrophobicContact CB-CB 4.2Å; E141-K165 HydrophobicContact CB-CD 4.14Å; E141-K165 PolarHBondContact O-N 2.81Å; E141-K165 IonicContact OE1-NZ 2.66Å; E141-K165 WeakPolarHBondContact OE2-CD 3.46Å; E141-K165 WeakPolarHBondContact OE2-CE 3.48Å; E141-K165 IonicContact OE2-NZ 2.73Å; E141-K165 PolarHBondContact OE2-NZ 3.31Å
166T86.1Confident88.5Confident55 Ų5553.2 Ų53.234%0.33726%0.257SS..SBendtrans-140154.6177.670.80000112.4F164 D168 V169 A170F164-T166 PolarHBondContact O-N 3.1Å; T166-D168 VanDerWaalsContact C-N 3.29Å; T166-D168 PolarHBondContact O-N 2.79Å; T166-V169 PolarHBondContact O-N 2.66Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.05Å; T166-V169 PolarHBondContact OG1-N 2.9Å; T166-A170 PolarHBondContact O-N 2.78Å; T166-A170 VanDerWaalsContact O-N 3.14Å
167K87.2Confident88.8Confident92 Ų9252.8 Ų52.840%0.425%0.254SS..Hα-helixtrans-62.5-35176.5179.6178.5174.6-172.60112.6S116 A170 Q171S116-K167 PolarHBondContact OG-N 2.93Å; S116-K167 VanDerWaalsContact OG-N 3.07Å; K167-A170 WeakPolarHBondContact O-CB 3.42Å; K167-A170 PolarHBondContact O-N 2.81Å; K167-Q171 PolarHBondContact O-N 2.93Å
168D88.3Confident88.9Confident122 Ų12252.6 Ų52.665%0.65226%0.255SS*.Hα-helixtrans-70.4-37.3-176.9-47.7-69.8000111.5T166 Q171 K172T166-D168 VanDerWaalsContact C-N 3.29Å; T166-D168 PolarHBondContact O-N 2.79Å; D168-Q171 PolarHBondContact O-N 3.32Å; D168-K172 WeakPolarHBondContact O-CB 3.28Å; D168-K172 PolarHBondContact O-N 3.37Å
169V89.5Confident88.8Confident35 Ų3555.1 Ų55.121%0.21227%0.27CS..Hα-helixtrans-66.8-41.6171.1175.60000110.6F164 T166 Q171 K172 A173F164-V169 HydrophobicContact CB-CB 4.32Å; F164-V169 HydrophobicContact CB-CG1 4.08Å; F164-V169 HydrophobicContact CD1-CG1 3.43Å; F164-V169 VanDerWaalsContact CD1-CG1 3.43Å; F164-V169 HydrophobicContact CE1-CG1 4Å; F164-V169 HydrophobicContact CG-CG1 3.89Å; T166-V169 PolarHBondContact O-N 2.66Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.05Å; T166-V169 PolarHBondContact OG1-N 2.9Å; V169-Q171 VanDerWaalsContact C-N 3.34Å; V169-Q171 PolarHBondContact O-N 2.69Å; V169-K172 PolarHBondContact O-N 2.77Å; V169-A173 WeakPolarHBondContact O-CB 3.43Å; V169-A173 PolarHBondContact O-N 3.18Å
170A88.9Confident88.6Confident0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-60.9-40.317500000112.8S116 V118 F164 T166 K167 A173 I174S116-A170 WeakPolarHBondContact O-CB 3.48Å; V118-A170 HydrophobicContact CG2-CB 3.73Å; V118-A170 WeakPolarHBondContact CG2-O 3.16Å; F164-A170 HydrophobicContact CB-CB 4.28Å; F164-A170 HydrophobicContact CD2-CB 3.9Å; F164-A170 HydrophobicContact CG-CB 4.44Å; T166-A170 PolarHBondContact O-N 2.78Å; T166-A170 VanDerWaalsContact O-N 3.14Å; K167-A170 WeakPolarHBondContact O-CB 3.42Å; K167-A170 PolarHBondContact O-N 2.81Å; A170-A173 PolarHBondContact O-N 2.74Å; A170-I174 WeakPolarHBondContact O-CD1 3.36Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3Å; A170-I174 VanDerWaalsContact O-N 3.11Å
171Q89.1Confident88.3Confident88 Ų8862 Ų6241%0.41130%0.304SS..Hα-helixtrans-67.8-44.8175-171.5179.8-41.300111.6K167 D168 V169 A173 I174 E175K167-Q171 PolarHBondContact O-N 2.93Å; D168-Q171 PolarHBondContact O-N 3.32Å; V169-Q171 VanDerWaalsContact C-N 3.34Å; V169-Q171 PolarHBondContact O-N 2.69Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 3.15Å; Q171-I174 WeakPolarHBondContact O-CB 3.13Å; Q171-I174 PolarHBondContact O-N 2.56Å; Q171-I174 VanDerWaalsContact O-N 3.1Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.42Å; Q171-E175 PolarHBondContact NE2-OE1 2.89Å; Q171-E175 PolarHBondContact O-N 3.49Å
172K89.7Confident87.9Confident93 Ų9361.7 Ų61.740%0.40430%0.303SS..Hα-helixtrans-56.6-43.5173.4-177.6179-178.9-75.60111.4I139 D168 V169 I174 E175 E176I139-K172 HydrophobicContact CG2-CB 4.39Å; I139-K172 HydrophobicContact CG2-CD 4.18Å; I139-K172 HydrophobicContact CG2-CG 4.02Å; D168-K172 WeakPolarHBondContact O-CB 3.28Å; D168-K172 PolarHBondContact O-N 3.37Å; V169-K172 PolarHBondContact O-N 2.77Å; K172-I174 VanDerWaalsContact C-N 3.29Å; K172-I174 PolarHBondContact O-N 3.43Å; K172-E175 PolarHBondContact O-N 3.44Å; K172-E175 VanDerWaalsContact O-N 3.16Å; K172-E176 IonicContact NZ-OE1 2.73Å; K172-E176 IonicContact NZ-OE2 2.76Å; K172-E176 PolarHBondContact NZ-OE2 2.81Å; K172-E176 VanDerWaalsContact O-CB 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.37Å; K172-E176 PolarHBondContact O-N 3.42Å
173A89.7Confident87.4Confident0 Ų066.9 Ų66.90%033%0.325CS..Hα-helixtrans-62.3-34.5177.200000112.9I139 F164 V169 A170 Q171 L177I139-A173 HydrophobicContact CD1-CB 4.29Å; I139-A173 HydrophobicContact CG2-CB 3.92Å; F164-A173 HydrophobicContact CD2-CB 4.47Å; F164-A173 HydrophobicContact CE1-CB 4.29Å; F164-A173 HydrophobicContact CE2-CB 3.59Å; F164-A173 HydrophobicContact CZ-CB 3.46Å; F164-A173 VanDerWaalsContact CZ-CB 3.46Å; V169-A173 WeakPolarHBondContact O-CB 3.43Å; V169-A173 PolarHBondContact O-N 3.18Å; A170-A173 PolarHBondContact O-N 2.74Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 3.15Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.13Å; A173-L177 PolarHBondContact O-N 2.81Å
174I90.6Very high87Confident26 Ų2669.7 Ų69.713%0.13336%0.355CS..Hα-helixtrans-67.9-48.7171.5-66.6158.9000110.6V118 A170 Q171 K172 E176 H178 C189 S190 L191V118-I174 HydrophobicContact CB-CG1 4.44Å; V118-I174 HydrophobicContact CG1-CD1 4.35Å; V118-I174 HydrophobicContact CG1-CG1 3.69Å; V118-I174 HydrophobicContact CG2-CD1 4.05Å; V118-I174 HydrophobicContact CG2-CG1 3.93Å; A170-I174 WeakPolarHBondContact O-CD1 3.36Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 3Å; A170-I174 VanDerWaalsContact O-N 3.11Å; Q171-I174 WeakPolarHBondContact O-CB 3.13Å; Q171-I174 PolarHBondContact O-N 2.56Å; Q171-I174 VanDerWaalsContact O-N 3.1Å; K172-I174 VanDerWaalsContact C-N 3.29Å; K172-I174 PolarHBondContact O-N 3.43Å; I174-E176 PolarHBondContact O-N 3.39Å; I174-H178 WeakPolarHBondContact O-CB 3.22Å; I174-H178 PolarHBondContact O-N 2.8Å; I174-C189 HydrophobicContact CG1-CB 4.33Å; I174-S190 VanDerWaalsContact CD1-C 3.41Å; I174-L191 HydrophobicContact CD1-CB 4.24Å; I174-L191 HydrophobicContact CD1-CD2 3.52Å; I174-L191 HydrophobicContact CD1-CG 3.59Å; I174-L191 VanDerWaalsContact CD1-N 3.28Å
175E89Confident86.7Confident142 Ų14274.5 Ų74.566%0.66438%0.376SS*.Hα-helixtrans-63.6-27.7-178.3-69.3174-164.200113Q171 K172Q171-E175 WeakPolarHBondContact CG-OE1 3.42Å; Q171-E175 PolarHBondContact NE2-OE1 2.89Å; Q171-E175 PolarHBondContact O-N 3.49Å; K172-E175 PolarHBondContact O-N 3.44Å; K172-E175 VanDerWaalsContact O-N 3.16Å
176E88.1Confident86.8Confident88 Ų8872.4 Ų72.441%0.41137%0.374SS..Hα-helixtrans-101-24.9-176-170.6167.6-168.800114.7I139 K172 I174I139-E176 HydrophobicContact CD1-CB 4.28Å; I139-E176 HydrophobicContact CD1-CG 4.26Å; K172-E176 IonicContact NZ-OE1 2.73Å; K172-E176 IonicContact NZ-OE2 2.76Å; K172-E176 PolarHBondContact NZ-OE2 2.81Å; K172-E176 VanDerWaalsContact O-CB 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.37Å; K172-E176 PolarHBondContact O-N 3.42Å; I174-E176 PolarHBondContact O-N 3.39Å
177L87.2Confident87.1Confident1 Ų169.8 Ų69.81%0.00536%0.358CS..Hα-helixtrans-102.9-14.5177.6-60.5178.8000114.2I120 L135 I139 A173 S179 K180 I187 C189I120-L177 HydrophobicContact CD1-CD1 4.5Å; L135-L177 HydrophobicContact CD1-CD2 3.78Å; L135-L177 HydrophobicContact CD2-CD2 4.27Å; L135-L177 HydrophobicContact CG-CD1 4.34Å; L135-L177 HydrophobicContact CG-CD2 3.87Å; I139-L177 HydrophobicContact CD1-CD1 3.77Å; I139-L177 HydrophobicContact CD1-CD2 3.61Å; I139-L177 HydrophobicContact CD1-CG 3.43Å; I139-L177 VanDerWaalsContact CD1-CG 3.43Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.13Å; A173-L177 PolarHBondContact O-N 2.81Å; L177-S179 PolarHBondContact O-N 2.86Å; L177-K180 HydrophobicContact CD2-CD 3.54Å; L177-K180 WeakPolarHBondContact O-CB 3.15Å; L177-K180 PolarHBondContact O-N 3.37Å; L177-K180 VanDerWaalsContact O-N 3.12Å; L177-I187 HydrophobicContact CB-CD1 4.19Å; L177-I187 VanDerWaalsContact O-CG1 3.3Å; L177-I187 WeakPolarHBondContact O-CG1 3.42Å; L177-C189 HydrophobicContact CB-CB 4.24Å; L177-C189 WeakPolarHBondContact CB-SG 3.18Å
178H86.8Confident87.2Confident95 Ų9573.5 Ų73.544%0.4437%0.369SS..THydrogen-bonded Turntrans-64.9123-180-172.6101.9000110.8I174 K180 C189I174-H178 WeakPolarHBondContact O-CB 3.22Å; I174-H178 PolarHBondContact O-N 2.8Å; H178-K180 VanDerWaalsContact C-N 3.26Å; H178-K180 PolarHBondContact O-N 2.9Å; H178-C189 HydrophobicContact CB-CB 4.4Å; H178-C189 PolarHBondContact ND1-O 3.4Å
179S84.2Confident87.3Confident70 Ų7067.7 Ų67.749%0.4934%0.338SS..THydrogen-bonded Turntrans66.613.1-173.6-55.80000115.9L177 I187L177-S179 PolarHBondContact O-N 2.86Å; S179-I187 VanDerWaalsContact CA-O 3.32Å; S179-I187 WeakPolarHBondContact CA-O 3.4Å; S179-I187 PolarHBondContact N-O 2.97Å
180K85.3Confident87.3Confident66 Ų6668.5 Ų68.529%0.28735%0.345SS..  trans-64.6139.6169.2-165.2172.5-178.4177.50109.3L135 E138 L177 H178 I187L135-K180 HydrophobicContact CD1-CD 4.3Å; E138-K180 IonicContact OE2-NZ 3.98Å; E138-K180 PolarHBondContact OE2-NZ 2.82Å; L177-K180 HydrophobicContact CD2-CD 3.54Å; L177-K180 WeakPolarHBondContact O-CB 3.15Å; L177-K180 PolarHBondContact O-N 3.37Å; L177-K180 VanDerWaalsContact O-N 3.12Å; H178-K180 VanDerWaalsContact C-N 3.26Å; H178-K180 PolarHBondContact O-N 2.9Å; K180-I187 HydrophobicContact CB-CD1 4.46Å; K180-I187 HydrophobicContact CB-CG1 4.37Å; K180-I187 PolarHBondContact O-N 3.05Å
181E86.3Confident87.1Confident156 Ų15672.7 Ų72.773%0.72937%0.367SS*.EExtended strand (participates in β ladder)trans-79.9126.2172.3-69.2-166.5161.800110.5T186E181-T186 HydrophobicContact CG-CG2 3.98Å
182F82.4Confident86.7Confident36 Ų3669 Ų6916%0.15835%0.351CS..EExtended strand (participates in β ladder)trans-134120.7178.9-163.5-114.5000110.7V127 D131 L135 G184 K185 I187V127-F182 HydrophobicContact CG1-CE1 4.18Å; V127-F182 HydrophobicContact CG2-CD1 3.91Å; V127-F182 HydrophobicContact CG2-CE1 3.74Å; D131-F182 HydrophobicContact CB-CE1 4.08Å; D131-F182 HydrophobicContact CB-CZ 4.02Å; L135-F182 HydrophobicContact CB-CE2 4.26Å; L135-F182 HydrophobicContact CB-CZ 4.39Å; L135-F182 HydrophobicContact CD1-CD2 4.25Å; L135-F182 HydrophobicContact CD1-CE2 4.16Å; L135-F182 HydrophobicContact CD2-CD1 4.39Å; L135-F182 HydrophobicContact CD2-CD2 3.85Å; L135-F182 HydrophobicContact CD2-CE1 4.43Å; L135-F182 HydrophobicContact CD2-CE2 3.9Å; L135-F182 HydrophobicContact CD2-CG 4.11Å; L135-F182 HydrophobicContact CD2-CZ 4.19Å; L135-F182 HydrophobicContact CG-CE2 4.34Å; F182-G184 PolarHBondContact O-N 3.26Å; F182-G184 VanDerWaalsContact O-N 3.1Å; F182-K185 PolarHBondContact N-O 2.96Å; F182-K185 PolarHBondContact O-N 3.18Å; F182-I187 HydrophobicContact CB-CD1 4.46Å; F182-I187 HydrophobicContact CB-CG2 3.66Å
183K79.9Confident86.1Confident108 Ų10873.1 Ų73.147%0.4737%0.371SS..THydrogen-bonded Turntrans42.342.8-174.2-56-168.6-169.3-174.30113.8P124 D126 V127 D131P124-K183 HydrophobicContact CG-CB 4Å; D126-K183 PolarHBondContact O-NZ 2.53Å; V127-K183 HydrophobicContact CG2-CD 3.86Å; V127-K183 HydrophobicContact CG2-CG 4.44Å; D131-K183 WeakPolarHBondContact OD1-CE 3.36Å; D131-K183 IonicContact OD1-NZ 3.15Å; D131-K183 PolarHBondContact OD1-NZ 2.7Å; D131-K183 IonicContact OD2-NZ 2.78Å; D131-K183 PolarHBondContact OD2-NZ 3.46Å
184G80.8Confident85.4Confident72 Ų7274 Ų7474%0.74238%0.377SS*.THydrogen-bonded Turntrans8116.7176.300000116.1F182F182-G184 PolarHBondContact O-N 3.26Å; F182-G184 VanDerWaalsContact O-N 3.1Å
185K85.4Confident85Confident101 Ų10178 Ų7844%0.43939%0.393SS..EExtended strand (participates in β ladder)trans-132.2149.7167.1-63.8-168.3-175.9-174.50111.2G122 P124 F182G122-K185 WeakPolarHBondContact O-CB 3.22Å; G122-K185 VanDerWaalsContact O-CD 3.29Å; G122-K185 WeakPolarHBondContact O-CD 3.15Å; P124-K185 HydrophobicContact CB-CD 4.36Å; P124-K185 HydrophobicContact CG-CB 4.36Å; P124-K185 HydrophobicContact CG-CD 4.08Å; P124-K185 HydrophobicContact CG-CG 4.13Å; F182-K185 PolarHBondContact N-O 2.96Å; F182-K185 PolarHBondContact O-N 3.18Å
186T89.1Confident84.8Confident75 Ų7572.3 Ų72.346%0.4637%0.368SS..EExtended strand (participates in β ladder)trans-79.1123.4170.542.20000110.5E181E181-T186 HydrophobicContact CG-CG2 3.98Å
187I91.3Very high84.7Confident0 Ų070.1 Ų70.10%036%0.355CS..  trans-88.5144.8178.372.1-177.1000110.7I120 G121 L123 L135 L177 S179 K180 F182I120-I187 HydrophobicContact CG2-CB 4.19Å; I120-I187 HydrophobicContact CG2-CD1 4.25Å; G121-I187 CarbonylContact O-C 3.53Å; G121-I187 WeakPolarHBondContact O-CA 3.46Å; L123-I187 HydrophobicContact CD2-CG2 3.82Å; L135-I187 HydrophobicContact CD2-CD1 3.74Å; L177-I187 HydrophobicContact CB-CD1 4.19Å; L177-I187 VanDerWaalsContact O-CG1 3.3Å; L177-I187 WeakPolarHBondContact O-CG1 3.42Å; S179-I187 VanDerWaalsContact CA-O 3.32Å; S179-I187 WeakPolarHBondContact CA-O 3.4Å; S179-I187 PolarHBondContact N-O 2.97Å; K180-I187 HydrophobicContact CB-CD1 4.46Å; K180-I187 HydrophobicContact CB-CG1 4.37Å; K180-I187 PolarHBondContact O-N 3.05Å; F182-I187 HydrophobicContact CB-CD1 4.46Å; F182-I187 HydrophobicContact CB-CG2 3.66Å
188R89.8Confident84.8Confident170 Ų17070 Ų7064%0.64236%0.355SS*.EExtended strand (participates in β ladder)trans-115.6101.2179.8-71.6-174.6176179.2-0.4109.5G121G121-R188 PolarHBondContact N-O 3.49Å; G121-R188 PolarHBondContact O-N 3.09Å
189C90.5Very high84.9Confident0 Ų068.1 Ų68.10%035%0.345CS..EExtended strand (participates in β ladder)trans-87.8140.8176.6-59.70000110.4V118 F119 I174 L177 H178V118-C189 HydrophobicContact CG1-CB 4.11Å; F119-C189 CarbonylContact O-C 3.58Å; F119-C189 VanDerWaalsContact O-CA 3.31Å; F119-C189 WeakPolarHBondContact O-CA 3.38Å; I174-C189 HydrophobicContact CG1-CB 4.33Å; L177-C189 HydrophobicContact CB-CB 4.24Å; L177-C189 WeakPolarHBondContact CB-SG 3.18Å; H178-C189 HydrophobicContact CB-CB 4.4Å; H178-C189 PolarHBondContact ND1-O 3.4Å
190S88.3Confident85Confident51 Ų5164.9 Ų64.936%0.35732%0.323SS..EExtended strand (participates in β ladder)trans-157.5160.5178.8-71.50000110.7V118 F119 I174 S192V118-S190 CarbonylContact C-O 3.5Å; V118-S190 WeakPolarHBondContact CA-O 3.34Å; V118-S190 WeakPolarHBondContact CG1-O 3.37Å; F119-S190 PolarHBondContact N-O 3.25Å; F119-S190 PolarHBondContact O-N 3.22Å; I174-S190 VanDerWaalsContact CD1-C 3.41Å; S190-S192 PolarHBondContact O-N 3.2Å
191L86.3Confident85.1Confident88 Ų8861.9 Ų61.946%0.46131%0.311SS..EExtended strand (participates in β ladder)trans-63.5131.2172.8-70.5171000109.2G115 I174G115-L191 WeakPolarHBondContact O-CD2 3.38Å; I174-L191 HydrophobicContact CD1-CB 4.24Å; I174-L191 HydrophobicContact CD1-CD2 3.52Å; I174-L191 HydrophobicContact CD1-CG 3.59Å; I174-L191 VanDerWaalsContact CD1-N 3.28Å
192S81Confident85Confident10 Ų1058.3 Ų58.37%0.0730%0.297CS..  trans-68.6136.7177.7-178.50000111.1E117 F161 S190 T194E117-S192 VanDerWaalsContact O-CB 3.25Å; E117-S192 WeakPolarHBondContact O-CB 3.25Å; E117-S192 PolarHBondContact O-N 2.83Å; E117-S192 WeakPolarHBondContact OE1-CB 3.13Å; E117-S192 PolarHBondContact OE1-OG 3Å; F161-S192 VanDerWaalsContact CD1-OG 3.22Å; F161-S192 WeakPolarHBondContact CD1-OG 3.48Å; F161-S192 VanDerWaalsContact CE1-OG 3.24Å; F161-S192 WeakPolarHBondContact CE1-OG 3.38Å; S190-S192 PolarHBondContact O-N 3.2Å; S192-T194 PolarHBondContact O-N 3.46Å
193E76.8Confident85Confident180 Ų18057.6 Ų57.684%0.84129%0.294SS*.  trans-74.444.8177.4-60.1-163.7162.900113.1K195E193-K195 PolarHBondContact O-N 2.93Å
194T75.3Confident84.9Confident19 Ų1953 Ų5312%0.11728%0.275CS..  trans-60.6124.3175.950.60000110.8H114 E117 S192 N196H114-T194 PolarHBondContact CE1-O 3.44Å; H114-T194 PolarHBondContact CE1-OG1 3.27Å; H114-T194 PolarHBondContact ND1-O 2.68Å; H114-T194 PolarHBondContact ND1-OG1 2.87Å; E117-T194 HydrophobicContact CB-CG2 4.11Å; E117-T194 HydrophobicContact CG-CG2 4.36Å; E117-T194 WeakPolarHBondContact OE1-CG2 3.3Å; E117-T194 WeakPolarHBondContact OE2-CG2 3.29Å; S192-T194 PolarHBondContact O-N 3.46Å; T194-N196 PolarHBondContact O-N 2.72Å
195K81.1Confident84.8Confident109 Ų10957.2 Ų57.247%0.47427%0.273SS..  trans-86.2110.6-178.7-55.4-173.5-174-177.10108.7E193 N241 W267E193-K195 PolarHBondContact O-N 2.93Å; K195-N241 PolarHBondContact O-ND2 2.89Å; K195-W267 HydrophobicContact CB-CD2 3.82Å; K195-W267 HydrophobicContact CB-CE3 3.41Å; K195-W267 VanDerWaalsContact CB-CE3 3.41Å; K195-W267 HydrophobicContact CB-CG 4.39Å; K195-W267 HydrophobicContact CB-CH2 4.45Å; K195-W267 HydrophobicContact CB-CZ3 3.79Å; K195-W267 HydrophobicContact CD-CB 3.91Å; K195-W267 HydrophobicContact CD-CD2 4.18Å; K195-W267 HydrophobicContact CD-CG 3.88Å; K195-W267 WeakPolarHBondContact O-CH2 3.48Å; K195-W267 WeakPolarHBondContact O-CZ3 3.34Å
196N84.6Confident84.5Confident24 Ų2458 Ų5813%0.12828%0.282CS..  trans-107.35.8176.775.6-30.1000113.2H114 T194 L237 Y238H114-N196 HydrophobicContact CB-CB 3.94Å; H114-N196 PolarHBondContact CD2-ND2 2.87Å; H114-N196 VanDerWaalsContact CD2-ND2 3.35Å; T194-N196 PolarHBondContact O-N 2.72Å; N196-L237 WeakPolarHBondContact ND2-CD1 3.38Å; N196-Y238 PolarHBondContact ND2-O 3.33Å; N196-Y238 PolarHBondContact O-N 3.34Å
197R86.4Confident83.8Confident41 Ų4155.6 Ų55.616%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-123.5126.9-172.3-164.1178-173.4-119.1-1.7111T225 F235 V236 L237 A268R197-T225 PolarHBondContact NH2-OG1 3.38Å; R197-F235 VanDerWaalsContact NH2-CG 3.32Å; R197-V236 CarbonylContact C-O 3.54Å; R197-V236 WeakPolarHBondContact CA-O 3.41Å; R197-V236 WeakPolarHBondContact CG-O 3.41Å; R197-L237 HydrophobicContact CB-CD1 4.02Å; R197-L237 HydrophobicContact CG-CD1 4.12Å; R197-A268 HydrophobicContact CB-CB 4.11Å; R197-A268 HydrophobicContact CG-CB 3.9Å; R197-A268 WeakPolarHBondContact O-CB 3.31Å; R197-A268 PolarHBondContact O-N 3.44Å
198L88.5Confident83.2Confident0 Ų058.5 Ų58.50%028%0.282CS..EExtended strand (participates in β ladder)trans-100.6144175.7-58-175.4000110.8I200 F235 V236 Y238 A244 R248 V265 T266 W267L198-I200 HydrophobicContact CB-CG1 4.3Å; L198-F235 CarbonylContact O-C 3.53Å; L198-F235 VanDerWaalsContact O-CA 3.24Å; L198-F235 WeakPolarHBondContact O-CA 3.34Å; L198-V236 PolarHBondContact N-O 3.33Å; L198-V236 PolarHBondContact O-N 3.29Å; L198-Y238 HydrophobicContact CB-CE2 4.39Å; L198-Y238 HydrophobicContact CD1-CD2 4.47Å; L198-Y238 HydrophobicContact CD1-CE2 3.58Å; L198-Y238 HydrophobicContact CG-CD2 4.29Å; L198-Y238 HydrophobicContact CG-CE2 3.75Å; L198-A244 WeakPolarHBondContact CD1-O 3.37Å; L198-A244 HydrophobicContact CD2-CB 4.42Å; L198-A244 HydrophobicContact CG-CB 4.5Å; L198-R248 HydrophobicContact CD1-CB 3.88Å; L198-R248 HydrophobicContact CD2-CB 3.88Å; L198-R248 HydrophobicContact CD2-CG 4.37Å; L198-V265 HydrophobicContact CB-CG1 4.42Å; L198-V265 HydrophobicContact CD1-CG1 3.89Å; L198-T266 WeakPolarHBondContact CA-O 3.07Å; L198-W267 HydrophobicContact CD2-CD2 4.25Å; L198-W267 HydrophobicContact CD2-CE3 3.55Å; L198-W267 HydrophobicContact CD2-CH2 4.26Å; L198-W267 HydrophobicContact CD2-CZ3 3.55Å
199F89.2Confident82.7Confident54 Ų5453.2 Ų53.224%0.23727%0.265CS..EExtended strand (participates in β ladder)trans-95.4126.1159.2169.3-92.9000107.4F233 F235 V265 T266 A268F199-F233 HydrophobicContact CD2-CB 4.42Å; F199-F233 HydrophobicContact CD2-CD2 4.39Å; F199-F233 HydrophobicContact CE2-CB 3.51Å; F199-F233 HydrophobicContact CE2-CD1 4.43Å; F199-F233 AromaticContact CE2-CD2 3.73Å; F199-F233 HydrophobicContact CE2-CD2 3.73Å; F199-F233 AromaticContact CE2-CG 3.65Å; F199-F233 HydrophobicContact CE2-CG 3.65Å; F199-F233 HydrophobicContact CZ-CB 3.65Å; F199-F233 HydrophobicContact CZ-CG 4.13Å; F199-F235 HydrophobicContact CB-CD1 4.13Å; F199-F235 HydrophobicContact CB-CE1 4.03Å; F199-F235 HydrophobicContact CD2-CD1 4.19Å; F199-F235 AromaticContact CD2-CE1 3.7Å; F199-F235 HydrophobicContact CD2-CE1 3.7Å; F199-F235 HydrophobicContact CD2-CE2 4.45Å; F199-F235 AromaticContact CD2-CZ 3.85Å; F199-F235 HydrophobicContact CD2-CZ 3.85Å; F199-F235 HydrophobicContact CE2-CZ 4.5Å; F199-F235 HydrophobicContact CG-CE1 4.35Å; F199-V265 WeakPolarHBondContact O-CA 3.35Å; F199-T266 PolarHBondContact N-O 3.18Å; F199-T266 PolarHBondContact O-N 3.13Å; F199-A268 HydrophobicContact CB-CB 4.26Å
200I87.7Confident82.3Confident2 Ų257.6 Ų57.61%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-117.9100.6177.8-59.9177.4000106.9L198 I203 F212 I216 F233 A234 V236 M251 P263 V265L198-I200 HydrophobicContact CB-CG1 4.3Å; I200-I203 HydrophobicContact CG2-CD1 4.13Å; I200-I203 HydrophobicContact CG2-CG1 4.05Å; I200-I203 WeakPolarHBondContact O-CD1 3.24Å; I200-F212 HydrophobicContact CB-CZ 4.23Å; I200-F212 HydrophobicContact CD1-CZ 4.03Å; I200-F212 HydrophobicContact CG2-CE2 4Å; I200-F212 HydrophobicContact CG2-CZ 4.12Å; I200-I216 HydrophobicContact CD1-CD1 3.53Å; I200-F233 CarbonylContact O-C 3.55Å; I200-F233 WeakPolarHBondContact O-CA 3.42Å; I200-A234 PolarHBondContact N-O 3.08Å; I200-A234 PolarHBondContact O-N 3.04Å; I200-V236 HydrophobicContact CD1-CB 4.35Å; I200-V236 HydrophobicContact CD1-CG2 3.68Å; I200-M251 HydrophobicContact CD1-CE 4.23Å; I200-M251 HydrophobicContact CD1-SD 3.49Å; I200-M251 WeakPolarHBondContact CD1-SD 3.41Å; I200-M251 HydrophobicContact CG1-SD 4.38Å; I200-P263 HydrophobicContact CG2-CB 4.13Å; I200-V265 HydrophobicContact CG1-CG1 4.29Å; I200-V265 HydrophobicContact CG1-CG2 4.14Å; I200-V265 HydrophobicContact CG2-CG2 4.29Å
201G85.6Confident82.1Confident4 Ų459.5 Ų59.54%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-94.2176.217600000113.2I203 G232 P263 T264G201-I203 PolarHBondContact O-N 2.79Å; G201-G232 CarbonylContact C-O 3.55Å; G201-P263 WeakPolarHBondContact O-CA 3.26Å; G201-T264 PolarHBondContact N-O 3.48Å; G201-T264 PolarHBondContact O-N 3.21Å
202N84.1Confident81.9Confident81 Ų8155.7 Ų55.743%0.43327%0.271SS..  trans6224.3-178.9-155.737.9000114.6G232 A262N202-G232 PolarHBondContact N-O 2.99Å; N202-A262 PolarHBondContact ND2-O 3.2Å
203I82.6Confident82Confident20 Ų2059.4 Ų59.410%0.10328%0.284CS..  trans-67132.6175.8-56.9174.5000109.3I200 G201 K205 W207 F212 G232 A234 L258I200-I203 HydrophobicContact CG2-CD1 4.13Å; I200-I203 HydrophobicContact CG2-CG1 4.05Å; I200-I203 WeakPolarHBondContact O-CD1 3.24Å; G201-I203 PolarHBondContact O-N 2.79Å; I203-K205 PolarHBondContact O-N 3.38Å; I203-W207 HydrophobicContact CG2-CB 4.47Å; I203-F212 HydrophobicContact CD1-CD2 3.85Å; I203-F212 HydrophobicContact CD1-CE1 4.28Å; I203-F212 HydrophobicContact CD1-CE2 3.39Å; I203-F212 HydrophobicContact CD1-CG 4.45Å; I203-F212 HydrophobicContact CD1-CZ 3.62Å; I203-F212 HydrophobicContact CG1-CD2 4.36Å; I203-F212 HydrophobicContact CG1-CE2 3.98Å; I203-F212 HydrophobicContact CG2-CD2 4.21Å; I203-G232 PolarHBondContact N-O 3.24Å; I203-G232 WeakPolarHBondContact O-CA 3.46Å; I203-A234 HydrophobicContact CD1-CB 3.56Å; I203-L258 HydrophobicContact CG1-CD1 4.33Å
204P78.3Confident82.3Confident11 Ų1157.2 Ų57.27%0.07127%0.272CS..  trans-57.5130.5176-22.832.8000112N206 W207 L258 E259P204-N206 WeakPolarHBondContact CB-OD1 3.37Å; P204-N206 PolarHBondContact O-N 2.87Å; P204-N206 VanDerWaalsContact O-N 3.15Å; P204-W207 HydrophobicContact CB-CG 4.14Å; P204-W207 HydrophobicContact CG-CD2 4.42Å; P204-W207 HydrophobicContact CG-CG 4.3Å; P204-W207 WeakPolarHBondContact O-CB 3.37Å; P204-W207 PolarHBondContact O-N 2.86Å; P204-W207 VanDerWaalsContact O-N 3.08Å; P204-L258 HydrophobicContact CG-CB 4.03Å; P204-E259 HydrophobicContact CG-CB 4.03Å; P204-E259 HydrophobicContact CG-CG 4.49Å
205K78.1Confident82.6Confident162 Ų16257.8 Ų57.870%0.70428%0.275SS*.THydrogen-bonded Turntrans-68-15.3-175.6-69.1-179.4180174.70114.4I203I203-K205 PolarHBondContact O-N 3.38Å
206N79.9Confident82.8Confident116 Ų11652.7 Ų52.762%0.6225%0.253SS*.THydrogen-bonded Turntrans-82.9-17.4174.657.4-62.9000113.5P204P204-N206 WeakPolarHBondContact CB-OD1 3.37Å; P204-N206 PolarHBondContact O-N 2.87Å; P204-N206 VanDerWaalsContact O-N 3.15Å
207W74.9Confident82.7Confident26 Ų2656.5 Ų56.510%0.09827%0.27CS..  trans-70.6132.8177.7-81.124.6000110.9I203 P204 E211 F212 V215 N230 L258 E259I203-W207 HydrophobicContact CG2-CB 4.47Å; P204-W207 HydrophobicContact CB-CG 4.14Å; P204-W207 HydrophobicContact CG-CD2 4.42Å; P204-W207 HydrophobicContact CG-CG 4.3Å; P204-W207 WeakPolarHBondContact O-CB 3.37Å; P204-W207 PolarHBondContact O-N 2.86Å; P204-W207 VanDerWaalsContact O-N 3.08Å; W207-E211 HydrophobicContact CD2-CB 4.5Å; W207-E211 HydrophobicContact CE3-CB 4.47Å; W207-F212 HydrophobicContact CE3-CB 4.23Å; W207-F212 HydrophobicContact CE3-CD2 4.4Å; W207-V215 HydrophobicContact CH2-CB 4.3Å; W207-V215 HydrophobicContact CH2-CG1 4.13Å; W207-V215 HydrophobicContact CH2-CG2 3.9Å; W207-V215 HydrophobicContact CZ3-CB 3.98Å; W207-V215 HydrophobicContact CZ3-CG1 4.01Å; W207-V215 HydrophobicContact CZ3-CG2 3.96Å; W207-N230 PolarHBondContact O-ND2 3.26Å; W207-L258 HydrophobicContact CH2-CB 4.06Å; W207-L258 HydrophobicContact CH2-CD2 3.59Å; W207-L258 HydrophobicContact CH2-CG 4.34Å; W207-L258 HydrophobicContact CZ2-CB 4.16Å; W207-L258 HydrophobicContact CZ2-CD2 4.49Å; W207-L258 HydrophobicContact CZ3-CB 4.44Å; W207-L258 HydrophobicContact CZ3-CD2 3.75Å; W207-L258 HydrophobicContact CZ3-CG 4.45Å; W207-E259 HydrophobicContact CZ2-CG 4.25Å; W207-E259 VanDerWaalsContact NE1-CG 3.25Å
208T78.7Confident82.4Confident60 Ų6057.6 Ų57.637%0.36828%0.279SS..  trans-71.5166.716956.10000111.6D210 E211 F212T208-D210 PolarHBondContact O-N 2.93Å; T208-E211 WeakPolarHBondContact CB-OE2 3.48Å; T208-E211 WeakPolarHBondContact CG2-OE2 3.33Å; T208-E211 PolarHBondContact N-OE2 3.4Å; T208-E211 WeakPolarHBondContact OG1-CB 3.17Å; T208-E211 VanDerWaalsContact OG1-CD 3.29Å; T208-E211 VanDerWaalsContact OG1-CG 3.24Å; T208-E211 WeakPolarHBondContact OG1-CG 3.21Å; T208-E211 PolarHBondContact OG1-N 2.88Å; T208-E211 VanDerWaalsContact OG1-N 3.14Å; T208-E211 PolarHBondContact OG1-OE2 3.33Å; T208-F212 WeakPolarHBondContact O-CB 3.45Å; T208-F212 PolarHBondContact O-N 3.31Å; T208-F212 VanDerWaalsContact O-N 3.14Å
209E79.7Confident82Confident59 Ų5957.9 Ų57.928%0.27628%0.281SS..Hα-helixtrans-56.7-40.1168.9174162152.100111.4F212 R213 T227E209-F212 PolarHBondContact O-N 3.09Å; E209-R213 WeakPolarHBondContact O-CB 3.16Å; E209-R213 PolarHBondContact O-N 3.27Å; E209-R213 IonicContact OE1-CZ 3.26Å; E209-R213 IonicContact OE1-NH2 3.64Å; E209-R213 PolarHBondContact OE1-NH2 2.81Å; E209-T227 WeakPolarHBondContact CB-OG1 3.3Å; E209-T227 HydrophobicContact CG-CG2 3.95Å; E209-T227 WeakPolarHBondContact CG-OG1 3.46Å; E209-T227 WeakPolarHBondContact OE1-CG2 3.25Å; E209-T227 WeakPolarHBondContact OE2-CB 3.41Å; E209-T227 WeakPolarHBondContact OE2-CG2 3.33Å; E209-T227 PolarHBondContact OE2-OG1 3.48Å
210D82Confident81.3Confident92 Ų9255.3 Ų55.349%0.49227%0.27SS..Hα-helixtrans-75.1-38.2-174.2-47.7-73.1000112.7T208 R213 K214T208-D210 PolarHBondContact O-N 2.93Å; D210-R213 PolarHBondContact O-N 2.83Å; D210-K214 VanDerWaalsContact O-CG 3.31Å; D210-K214 WeakPolarHBondContact O-CG 3.3Å; D210-K214 PolarHBondContact O-N 3.01Å
211E82.6Confident80.7Confident92 Ų9257.7 Ų57.743%0.4329%0.285SS..Hα-helixtrans-63.5-43.8170.9-73.7162.1132.600111.3W207 T208 V215W207-E211 HydrophobicContact CD2-CB 4.5Å; W207-E211 HydrophobicContact CE3-CB 4.47Å; T208-E211 WeakPolarHBondContact CB-OE2 3.48Å; T208-E211 WeakPolarHBondContact CG2-OE2 3.33Å; T208-E211 PolarHBondContact N-OE2 3.4Å; T208-E211 WeakPolarHBondContact OG1-CB 3.17Å; T208-E211 VanDerWaalsContact OG1-CD 3.29Å; T208-E211 VanDerWaalsContact OG1-CG 3.24Å; T208-E211 WeakPolarHBondContact OG1-CG 3.21Å; T208-E211 PolarHBondContact OG1-N 2.88Å; T208-E211 VanDerWaalsContact OG1-N 3.14Å; T208-E211 PolarHBondContact OG1-OE2 3.33Å; E211-V215 WeakPolarHBondContact O-CG2 3.5Å; E211-V215 PolarHBondContact O-N 3.32Å
212F82.3Confident80.3Confident7 Ų758 Ų583%0.03129%0.288CS..Hα-helixtrans-63.6-47.3175-179.8-109.6000111.3I200 I203 W207 T208 E209 K214 V215 I216 P224 A234 V236I200-F212 HydrophobicContact CB-CZ 4.23Å; I200-F212 HydrophobicContact CD1-CZ 4.03Å; I200-F212 HydrophobicContact CG2-CE2 4Å; I200-F212 HydrophobicContact CG2-CZ 4.12Å; I203-F212 HydrophobicContact CD1-CD2 3.85Å; I203-F212 HydrophobicContact CD1-CE1 4.28Å; I203-F212 HydrophobicContact CD1-CE2 3.39Å; I203-F212 HydrophobicContact CD1-CG 4.45Å; I203-F212 HydrophobicContact CD1-CZ 3.62Å; I203-F212 HydrophobicContact CG1-CD2 4.36Å; I203-F212 HydrophobicContact CG1-CE2 3.98Å; I203-F212 HydrophobicContact CG2-CD2 4.21Å; W207-F212 HydrophobicContact CE3-CB 4.23Å; W207-F212 HydrophobicContact CE3-CD2 4.4Å; T208-F212 WeakPolarHBondContact O-CB 3.45Å; T208-F212 PolarHBondContact O-N 3.31Å; T208-F212 VanDerWaalsContact O-N 3.14Å; E209-F212 PolarHBondContact O-N 3.09Å; F212-K214 PolarHBondContact O-N 3.35Å; F212-V215 PolarHBondContact O-N 3Å; F212-I216 HydrophobicContact CD1-CG1 4.16Å; F212-I216 HydrophobicContact CD2-CG1 4.43Å; F212-I216 HydrophobicContact CE1-CD1 4.16Å; F212-I216 HydrophobicContact CE1-CG1 3.73Å; F212-I216 HydrophobicContact CE2-CD1 3.79Å; F212-I216 HydrophobicContact CE2-CG1 4.03Å; F212-I216 HydrophobicContact CZ-CD1 3.57Å; F212-I216 HydrophobicContact CZ-CG1 3.67Å; F212-I216 WeakPolarHBondContact O-CG1 3.09Å; F212-I216 PolarHBondContact O-N 2.88Å; F212-P224 HydrophobicContact CD1-CB 4.18Å; F212-P224 HydrophobicContact CE1-CB 4.02Å; F212-A234 HydrophobicContact CD1-CB 4.2Å; F212-A234 HydrophobicContact CE1-CB 3.43Å; F212-A234 VanDerWaalsContact CE1-CB 3.43Å; F212-A234 HydrophobicContact CZ-CB 3.7Å; F212-V236 HydrophobicContact CE1-CG2 4.14Å; F212-V236 HydrophobicContact CZ-CG2 4.2Å
213R83.4Confident80.1Confident88 Ų8859.7 Ų59.733%0.33230%0.298SS..Hα-helixtrans-57.9-49.5-178.2-174.1-173.3-56.8-169.43.3112.1E209 D210 V215 I216 E217 P224E209-R213 WeakPolarHBondContact O-CB 3.16Å; E209-R213 PolarHBondContact O-N 3.27Å; E209-R213 IonicContact OE1-CZ 3.26Å; E209-R213 IonicContact OE1-NH2 3.64Å; E209-R213 PolarHBondContact OE1-NH2 2.81Å; D210-R213 PolarHBondContact O-N 2.83Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 PolarHBondContact O-N 3.27Å; R213-I216 WeakPolarHBondContact O-CA 2.97Å; R213-I216 WeakPolarHBondContact O-CB 3.49Å; R213-I216 PolarHBondContact O-N 3.25Å; R213-E217 VanDerWaalsContact CD-OE1 3.3Å; R213-E217 WeakPolarHBondContact CD-OE1 3.32Å; R213-E217 HydrophobicContact CG-CG 4.3Å; R213-E217 VanDerWaalsContact CG-OE1 3.26Å; R213-E217 WeakPolarHBondContact CG-OE1 3.33Å; R213-E217 WeakPolarHBondContact O-CG 3.22Å; R213-E217 PolarHBondContact O-N 3.37Å; R213-P224 HydrophobicContact CB-CG 4.19Å; R213-P224 HydrophobicContact CG-CG 3.95Å
214K83.1Confident79.9Confident134 Ų13459.7 Ų59.758%0.58330%0.299SS*.Hα-helixtrans-55.4-41.9177.1-72.3172.1-177.9-176.60112.4D210 F212 I216 E217 D218D210-K214 VanDerWaalsContact O-CG 3.31Å; D210-K214 WeakPolarHBondContact O-CG 3.3Å; D210-K214 PolarHBondContact O-N 3.01Å; F212-K214 PolarHBondContact O-N 3.35Å; K214-I216 VanDerWaalsContact C-N 3.3Å; K214-I216 PolarHBondContact O-N 3.3Å; K214-E217 PolarHBondContact O-N 2.94Å; K214-D218 WeakPolarHBondContact O-CB 3.3Å; K214-D218 PolarHBondContact O-N 2.76Å
215V82.7Confident79.7Confident32 Ų3261.1 Ų61.119%0.19431%0.307CS..Hα-helixtrans-74.4-18.5179.4168.90000113.1W207 E211 F212 R213 V219 F256 L258W207-V215 HydrophobicContact CH2-CB 4.3Å; W207-V215 HydrophobicContact CH2-CG1 4.13Å; W207-V215 HydrophobicContact CH2-CG2 3.9Å; W207-V215 HydrophobicContact CZ3-CB 3.98Å; W207-V215 HydrophobicContact CZ3-CG1 4.01Å; W207-V215 HydrophobicContact CZ3-CG2 3.96Å; E211-V215 WeakPolarHBondContact O-CG2 3.5Å; E211-V215 PolarHBondContact O-N 3.32Å; F212-V215 PolarHBondContact O-N 3Å; R213-V215 VanDerWaalsContact C-N 3.25Å; R213-V215 PolarHBondContact O-N 3.27Å; V215-V219 WeakPolarHBondContact O-CG2 3.47Å; V215-F256 HydrophobicContact CG1-CE2 3.98Å; V215-F256 HydrophobicContact CG1-CZ 3.55Å; V215-L258 HydrophobicContact CG1-CD2 3.79Å
216I83.6Confident79.2Confident2 Ų257.3 Ų57.31%0.0129%0.294CS..Hα-helixtrans-78.8-47.8165.3-61.6-55.8000110.3I200 F212 R213 K214 D218 V219 G220 G222 V236 M251I200-I216 HydrophobicContact CD1-CD1 3.53Å; F212-I216 HydrophobicContact CD1-CG1 4.16Å; F212-I216 HydrophobicContact CD2-CG1 4.43Å; F212-I216 HydrophobicContact CE1-CD1 4.16Å; F212-I216 HydrophobicContact CE1-CG1 3.73Å; F212-I216 HydrophobicContact CE2-CD1 3.79Å; F212-I216 HydrophobicContact CE2-CG1 4.03Å; F212-I216 HydrophobicContact CZ-CD1 3.57Å; F212-I216 HydrophobicContact CZ-CG1 3.67Å; F212-I216 WeakPolarHBondContact O-CG1 3.09Å; F212-I216 PolarHBondContact O-N 2.88Å; R213-I216 WeakPolarHBondContact O-CA 2.97Å; R213-I216 WeakPolarHBondContact O-CB 3.49Å; R213-I216 PolarHBondContact O-N 3.25Å; K214-I216 VanDerWaalsContact C-N 3.3Å; K214-I216 PolarHBondContact O-N 3.3Å; I216-D218 VanDerWaalsContact C-N 3.34Å; I216-D218 PolarHBondContact O-N 3.32Å; I216-V219 CarbonylContact O-C 3.49Å; I216-V219 WeakPolarHBondContact O-CA 3.26Å; I216-V219 PolarHBondContact O-N 3.38Å; I216-G220 PolarHBondContact O-N 3Å; I216-G222 WeakPolarHBondContact CG2-O 3.41Å; I216-V236 HydrophobicContact CD1-CG2 3.93Å; I216-V236 HydrophobicContact CG1-CG2 3.92Å; I216-V236 HydrophobicContact CG2-CB 4.5Å; I216-V236 HydrophobicContact CG2-CG1 3.72Å; I216-V236 HydrophobicContact CG2-CG2 3.99Å; I216-M251 HydrophobicContact CD1-CE 3.43Å; I216-M251 VanDerWaalsContact CD1-CE 3.43Å; I216-M251 HydrophobicContact CD1-SD 4.04Å
217E82.6Confident78.6Confident103 Ų10352.6 Ų52.648%0.48127%0.27SS..Hα-helixtrans-57.9-40.8179.1-70165.7171.800112.4R213 K214 V219 G220R213-E217 VanDerWaalsContact CD-OE1 3.3Å; R213-E217 WeakPolarHBondContact CD-OE1 3.32Å; R213-E217 HydrophobicContact CG-CG 4.3Å; R213-E217 VanDerWaalsContact CG-OE1 3.26Å; R213-E217 WeakPolarHBondContact CG-OE1 3.33Å; R213-E217 WeakPolarHBondContact O-CG 3.22Å; R213-E217 PolarHBondContact O-N 3.37Å; K214-E217 PolarHBondContact O-N 2.94Å; E217-V219 PolarHBondContact O-N 3.21Å; E217-G220 PolarHBondContact O-N 2.92Å
218D79.9Confident78.2Confident65 Ų6556.8 Ų56.835%0.34830%0.299SS..THydrogen-bonded Turntrans-59-29.1172.6-80-28.6000113Y105 K214 I216Y105-D218 PolarHBondContact OH-O 3.16Å; K214-D218 WeakPolarHBondContact O-CB 3.3Å; K214-D218 PolarHBondContact O-N 2.76Å; I216-D218 VanDerWaalsContact C-N 3.34Å; I216-D218 PolarHBondContact O-N 3.32Å
219V80.2Confident77.6Confident5 Ų562.3 Ų62.33%0.0331%0.313CS..THydrogen-bonded Turntrans-97.1-25.8-176.4174.70000112.9Y105 V215 I216 E217 K250 M251 F256Y105-V219 VanDerWaalsContact CE1-O 3.28Å; Y105-V219 WeakPolarHBondContact CE1-O 3.45Å; Y105-V219 WeakPolarHBondContact OH-CA 3.44Å; Y105-V219 PolarHBondContact OH-O 2.89Å; V215-V219 WeakPolarHBondContact O-CG2 3.47Å; I216-V219 CarbonylContact O-C 3.49Å; I216-V219 WeakPolarHBondContact O-CA 3.26Å; I216-V219 PolarHBondContact O-N 3.38Å; E217-V219 PolarHBondContact O-N 3.21Å; V219-K250 HydrophobicContact CG1-CB 3.92Å; V219-K250 HydrophobicContact CG1-CD 4Å; V219-K250 HydrophobicContact CG1-CG 3.9Å; V219-M251 HydrophobicContact CB-CE 3.72Å; V219-M251 HydrophobicContact CG1-CE 3.42Å; V219-M251 VanDerWaalsContact CG1-CE 3.42Å; V219-M251 HydrophobicContact CG1-CG 3.94Å; V219-M251 HydrophobicContact CG2-CE 4.29Å; V219-F256 HydrophobicContact CG2-CD2 4.26Å; V219-F256 HydrophobicContact CG2-CE2 3.48Å; V219-F256 VanDerWaalsContact CG2-CE2 3.48Å; V219-F256 HydrophobicContact CG2-CZ 3.95Å
220G74.9Confident77.3Confident1 Ų163.4 Ų63.41%0.0132%0.32CS..  trans166.8163.3171.800000114.1I216 E217 G222I216-G220 PolarHBondContact O-N 3Å; E217-G220 PolarHBondContact O-N 2.92Å; G220-G222 PolarHBondContact O-N 2.94Å
221P76.5Confident77.1Confident52 Ų5264.5 Ų64.534%0.33832%0.318SS..SBendtrans-7291.3-178.729.3-35.1000111.6L109 Y238L109-P221 HydrophobicContact CD1-CG 4.1Å; L109-P221 HydrophobicContact CD2-CB 4.33Å; L109-P221 HydrophobicContact CD2-CG 3.75Å; L109-P221 HydrophobicContact CG-CG 4.01Å; P221-Y238 WeakPolarHBondContact O-CD1 3.37Å
222G76.2Confident77Confident10 Ų1060.8 Ų60.810%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-144.8131.4179.300000113.9I216 G220 P224 V236 L237I216-G222 WeakPolarHBondContact CG2-O 3.41Å; G220-G222 PolarHBondContact O-N 2.94Å; G222-P224 WeakPolarHBondContact O-CD 3.02Å; G222-V236 VanDerWaalsContact C-CG1 3.44Å; G222-L237 CarbonylContact C-O 3.5Å; G222-L237 WeakPolarHBondContact CA-O 3.45Å
223D79.4Confident77.2Confident117 Ų11763.7 Ų63.763%0.62632%0.317SS*.EExtended strand (participates in β ladder)trans-80120.8-177-72-51.1000112.1T225 V236 L237D223-T225 PolarHBondContact O-N 3.02Å; D223-T225 VanDerWaalsContact O-N 3.1Å; D223-V236 CarbonylContact O-C 3.6Å; D223-V236 WeakPolarHBondContact O-CA 3.31Å; D223-L237 PolarHBondContact N-O 2.8Å; D223-L237 PolarHBondContact O-N 3.08Å
224P78.3Confident77.3Confident19 Ų1959.7 Ų59.712%0.12330%0.303CS..EExtended strand (participates in β ladder)trans-72.4103.6174.429-33.8000111.3F212 R213 G222 T227 V236F212-P224 HydrophobicContact CD1-CB 4.18Å; F212-P224 HydrophobicContact CE1-CB 4.02Å; R213-P224 HydrophobicContact CB-CG 4.19Å; R213-P224 HydrophobicContact CG-CG 3.95Å; G222-P224 WeakPolarHBondContact O-CD 3.02Å; P224-T227 VanDerWaalsContact O-CG2 3.26Å; P224-T227 WeakPolarHBondContact O-CG2 3.33Å; P224-V236 HydrophobicContact CB-CG2 4.5Å
225T75.1Confident77.5Confident41 Ų4155 Ų5525%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-88.4150175.874.50000112.5R197 D223 T227 F235 L237R197-T225 PolarHBondContact NH2-OG1 3.38Å; D223-T225 PolarHBondContact O-N 3.02Å; D223-T225 VanDerWaalsContact O-N 3.1Å; T225-T227 VanDerWaalsContact C-N 3.27Å; T225-T227 PolarHBondContact O-N 3.3Å; T225-F235 WeakPolarHBondContact CA-O 3.4Å; T225-F235 WeakPolarHBondContact CB-O 3.48Å; T225-F235 PolarHBondContact N-O 2.78Å; T225-F235 PolarHBondContact O-N 2.84Å; T225-F235 WeakPolarHBondContact OG1-CB 3.21Å; T225-F235 PolarHBondContact OG1-O 3.13Å; T225-L237 HydrophobicContact CG2-CB 3.95Å
226N66.8Low77.8Confident82 Ų8253.5 Ų53.544%0.43927%0.274SS..SBendtrans63.824.4175-160.713.1000115.3T228 F235N226-T228 VanDerWaalsContact C-N 3.31Å; N226-T228 PolarHBondContact O-N 2.9Å; N226-F235 HydrophobicContact CB-CD2 4.37Å
227T68Low77.9Confident18 Ų1856.4 Ų56.411%0.1129%0.289CS..THydrogen-bonded Turntrans-71.5-16-179.1165.60000114.7E209 P224 T225 R229E209-T227 WeakPolarHBondContact CB-OG1 3.3Å; E209-T227 HydrophobicContact CG-CG2 3.95Å; E209-T227 WeakPolarHBondContact CG-OG1 3.46Å; E209-T227 WeakPolarHBondContact OE1-CG2 3.25Å; E209-T227 WeakPolarHBondContact OE2-CB 3.41Å; E209-T227 WeakPolarHBondContact OE2-CG2 3.33Å; E209-T227 PolarHBondContact OE2-OG1 3.48Å; P224-T227 VanDerWaalsContact O-CG2 3.26Å; P224-T227 WeakPolarHBondContact O-CG2 3.33Å; T225-T227 VanDerWaalsContact C-N 3.27Å; T225-T227 PolarHBondContact O-N 3.3Å; T227-R229 CarbonylContact O-C 3.59Å; T227-R229 PolarHBondContact O-N 3.26Å
228T66.5Low78.1Confident114 Ų11451.7 Ų51.770%0.69927%0.267SS*.THydrogen-bonded Turntrans-48.3-12-177.362.80000118.2N226N226-T228 VanDerWaalsContact C-N 3.31Å; N226-T228 PolarHBondContact O-N 2.9Å
229R65.5Low78.2Confident175 Ų17554 Ų5466%0.6627%0.271SS*.SBendtrans-146128.3161.9-58.4-175.6-171.4168.74.8110.7T227 R231T227-R229 CarbonylContact O-C 3.59Å; T227-R229 PolarHBondContact O-N 3.26Å; R229-R231 VanDerWaalsContact C-N 3.29Å; R229-R231 HydrophobicContact CB-CG 4.42Å; R229-R231 PolarHBondContact O-N 3.44Å
230N73.4Confident78.3Confident82 Ų8253.9 Ų53.944%0.43927%0.271SS..  trans-63.878.1173.6-61-6.1000112.6W207 G232W207-N230 PolarHBondContact O-ND2 3.26Å; N230-G232 PolarHBondContact O-N 3.38Å
231R77.6Confident78.8Confident115 Ų11556.8 Ų56.843%0.43429%0.286SS..SBendtrans-79.6-0.1178.8-69178.6-179.892.7-10.3113.3R229 F233R229-R231 VanDerWaalsContact C-N 3.29Å; R229-R231 HydrophobicContact CB-CG 4.42Å; R229-R231 PolarHBondContact O-N 3.44Å; R231-F233 VanDerWaalsContact C-N 3.34Å; R231-F233 HydrophobicContact CB-CD1 3.73Å; R231-F233 HydrophobicContact CB-CE1 3.42Å; R231-F233 VanDerWaalsContact CB-CE1 3.42Å; R231-F233 HydrophobicContact CB-CG 4.47Å; R231-F233 HydrophobicContact CB-CZ 3.92Å; R231-F233 HydrophobicContact CG-CE1 4.25Å; R231-F233 HydrophobicContact CG-CZ 4.38Å
232G80.8Confident79.1Confident15 Ų1555.8 Ų55.816%0.15528%0.282CS..SBendtrans83.811.2-167.100000113.4G201 N202 I203 N230G201-G232 CarbonylContact C-O 3.55Å; N202-G232 PolarHBondContact N-O 2.99Å; I203-G232 PolarHBondContact N-O 3.24Å; I203-G232 WeakPolarHBondContact O-CA 3.46Å; N230-G232 PolarHBondContact O-N 3.38Å
233F86.6Confident79.6Confident67 Ų6755.4 Ų55.429%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-150.1156.1172.167.1-97.1000111.1F199 I200 R231 F235F199-F233 HydrophobicContact CD2-CB 4.42Å; F199-F233 HydrophobicContact CD2-CD2 4.39Å; F199-F233 HydrophobicContact CE2-CB 3.51Å; F199-F233 HydrophobicContact CE2-CD1 4.43Å; F199-F233 AromaticContact CE2-CD2 3.73Å; F199-F233 HydrophobicContact CE2-CD2 3.73Å; F199-F233 AromaticContact CE2-CG 3.65Å; F199-F233 HydrophobicContact CE2-CG 3.65Å; F199-F233 HydrophobicContact CZ-CB 3.65Å; F199-F233 HydrophobicContact CZ-CG 4.13Å; I200-F233 CarbonylContact O-C 3.55Å; I200-F233 WeakPolarHBondContact O-CA 3.42Å; R231-F233 VanDerWaalsContact C-N 3.34Å; R231-F233 HydrophobicContact CB-CD1 3.73Å; R231-F233 HydrophobicContact CB-CE1 3.42Å; R231-F233 VanDerWaalsContact CB-CE1 3.42Å; R231-F233 HydrophobicContact CB-CG 4.47Å; R231-F233 HydrophobicContact CB-CZ 3.92Å; R231-F233 HydrophobicContact CG-CE1 4.25Å; R231-F233 HydrophobicContact CG-CZ 4.38Å; F233-F235 HydrophobicContact CD2-CD2 4.42Å; F233-F235 HydrophobicContact CD2-CE2 4.11Å; F233-F235 HydrophobicContact CE2-CD2 4.41Å; F233-F235 AromaticContact CE2-CE2 3.85Å; F233-F235 HydrophobicContact CE2-CE2 3.85Å
234A85.9Confident80Confident5 Ų549.8 Ų49.84%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-139.1170.8171.700000110.1I200 I203 F212I200-A234 PolarHBondContact N-O 3.08Å; I200-A234 PolarHBondContact O-N 3.04Å; I203-A234 HydrophobicContact CD1-CB 3.56Å; F212-A234 HydrophobicContact CD1-CB 4.2Å; F212-A234 HydrophobicContact CE1-CB 3.43Å; F212-A234 VanDerWaalsContact CE1-CB 3.43Å; F212-A234 HydrophobicContact CZ-CB 3.7Å
235F87.8Confident80.4Confident36 Ų3650.7 Ų50.716%0.15825%0.252CS..EExtended strand (participates in β ladder)trans-128107.5177.1-73.2-84.4000110.8R197 L198 F199 T225 N226 F233 A268R197-F235 VanDerWaalsContact NH2-CG 3.32Å; L198-F235 CarbonylContact O-C 3.53Å; L198-F235 VanDerWaalsContact O-CA 3.24Å; L198-F235 WeakPolarHBondContact O-CA 3.34Å; F199-F235 HydrophobicContact CB-CD1 4.13Å; F199-F235 HydrophobicContact CB-CE1 4.03Å; F199-F235 HydrophobicContact CD2-CD1 4.19Å; F199-F235 AromaticContact CD2-CE1 3.7Å; F199-F235 HydrophobicContact CD2-CE1 3.7Å; F199-F235 HydrophobicContact CD2-CE2 4.45Å; F199-F235 AromaticContact CD2-CZ 3.85Å; F199-F235 HydrophobicContact CD2-CZ 3.85Å; F199-F235 HydrophobicContact CE2-CZ 4.5Å; F199-F235 HydrophobicContact CG-CE1 4.35Å; T225-F235 WeakPolarHBondContact CA-O 3.4Å; T225-F235 WeakPolarHBondContact CB-O 3.48Å; T225-F235 PolarHBondContact N-O 2.78Å; T225-F235 PolarHBondContact O-N 2.84Å; T225-F235 WeakPolarHBondContact OG1-CB 3.21Å; T225-F235 PolarHBondContact OG1-O 3.13Å; N226-F235 HydrophobicContact CB-CD2 4.37Å; F233-F235 HydrophobicContact CD2-CD2 4.42Å; F233-F235 HydrophobicContact CD2-CE2 4.11Å; F233-F235 HydrophobicContact CE2-CD2 4.41Å; F233-F235 AromaticContact CE2-CE2 3.85Å; F233-F235 HydrophobicContact CE2-CE2 3.85Å; F235-A268 HydrophobicContact CD1-CB 3.71Å; F235-A268 HydrophobicContact CE1-CB 3.87Å
236V87.4Confident80.9Confident0 Ų051.2 Ų51.20%025%0.249CC..EExtended strand (participates in β ladder)trans-89.5134179-176.60000110.2R197 L198 I200 F212 I216 G222 D223 P224 Y238R197-V236 CarbonylContact C-O 3.54Å; R197-V236 WeakPolarHBondContact CA-O 3.41Å; R197-V236 WeakPolarHBondContact CG-O 3.41Å; L198-V236 PolarHBondContact N-O 3.33Å; L198-V236 PolarHBondContact O-N 3.29Å; I200-V236 HydrophobicContact CD1-CB 4.35Å; I200-V236 HydrophobicContact CD1-CG2 3.68Å; F212-V236 HydrophobicContact CE1-CG2 4.14Å; F212-V236 HydrophobicContact CZ-CG2 4.2Å; I216-V236 HydrophobicContact CD1-CG2 3.93Å; I216-V236 HydrophobicContact CG1-CG2 3.92Å; I216-V236 HydrophobicContact CG2-CB 4.5Å; I216-V236 HydrophobicContact CG2-CG1 3.72Å; I216-V236 HydrophobicContact CG2-CG2 3.99Å; G222-V236 VanDerWaalsContact C-CG1 3.44Å; D223-V236 CarbonylContact O-C 3.6Å; D223-V236 WeakPolarHBondContact O-CA 3.31Å; P224-V236 HydrophobicContact CB-CG2 4.5Å; V236-Y238 HydrophobicContact CB-CE2 3.8Å; V236-Y238 HydrophobicContact CG1-CD2 3.99Å; V236-Y238 HydrophobicContact CG1-CE1 4.12Å; V236-Y238 HydrophobicContact CG1-CE2 3.36Å; V236-Y238 VanDerWaalsContact CG1-CZ 3.43Å
237L86.4Confident81.9Confident63 Ų6347.3 Ų47.333%0.3323%0.229SC..EExtended strand (participates in β ladder)trans-107.4122.9175.2-175.570.1000108.8N196 R197 G222 D223 T225N196-L237 WeakPolarHBondContact ND2-CD1 3.38Å; R197-L237 HydrophobicContact CB-CD1 4.02Å; R197-L237 HydrophobicContact CG-CD1 4.12Å; G222-L237 CarbonylContact C-O 3.5Å; G222-L237 WeakPolarHBondContact CA-O 3.45Å; D223-L237 PolarHBondContact N-O 2.8Å; D223-L237 PolarHBondContact O-N 3.08Å; T225-L237 HydrophobicContact CG2-CB 3.95Å
238Y85.8Confident82.9Confident3 Ų349.9 Ų49.91%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-104.1156.2177.7-64-93.8000111N196 L198 P221 V236 N240 C243 A244 S247 M251N196-Y238 PolarHBondContact ND2-O 3.33Å; N196-Y238 PolarHBondContact O-N 3.34Å; L198-Y238 HydrophobicContact CB-CE2 4.39Å; L198-Y238 HydrophobicContact CD1-CD2 4.47Å; L198-Y238 HydrophobicContact CD1-CE2 3.58Å; L198-Y238 HydrophobicContact CG-CD2 4.29Å; L198-Y238 HydrophobicContact CG-CE2 3.75Å; P221-Y238 WeakPolarHBondContact O-CD1 3.37Å; V236-Y238 HydrophobicContact CB-CE2 3.8Å; V236-Y238 HydrophobicContact CG1-CD2 3.99Å; V236-Y238 HydrophobicContact CG1-CE1 4.12Å; V236-Y238 HydrophobicContact CG1-CE2 3.36Å; V236-Y238 VanDerWaalsContact CG1-CZ 3.43Å; Y238-N240 VanDerWaalsContact C-N 3.32Å; Y238-N240 PolarHBondContact O-N 3.46Å; Y238-C243 HydrophobicContact CD1-CB 4.05Å; Y238-C243 HydrophobicContact CG-CB 4.32Å; Y238-A244 HydrophobicContact CD2-CB 3.62Å; Y238-A244 HydrophobicContact CE2-CB 4.42Å; Y238-A244 HydrophobicContact CG-CB 3.95Å; Y238-S247 WeakPolarHBondContact CE1-OG 3.46Å; Y238-S247 VanDerWaalsContact CZ-CB 3.41Å; Y238-S247 VanDerWaalsContact OH-CB 3.22Å; Y238-S247 WeakPolarHBondContact OH-CB 3.39Å; Y238-M251 WeakPolarHBondContact OH-CE 3.36Å
239Y82.5Confident83.9Confident113 Ų11349.3 Ų49.344%0.44323%0.226SC..SBendtrans-54-48.2174-175.7-119.6000111.8L109 P113 H114L109-Y239 HydrophobicContact CD2-CD1 3.96Å; L109-Y239 HydrophobicContact CD2-CG 4.42Å; P113-Y239 HydrophobicContact CB-CE1 4.48Å; P113-Y239 HydrophobicContact CB-CE2 3.82Å; H114-Y239 VanDerWaalsContact CB-O 3.24Å; H114-Y239 WeakPolarHBondContact CB-O 3.33Å; H114-Y239 PolarHBondContact N-O 3.3Å
240N82.5Confident84.8Confident4 Ų443.1 Ų43.12%0.02120%0.204CC..SBendtrans-125.8156-174.2-65.2-18.2000112.3L108 L111 P112 P113 H114 Y238 A242 C243 A244L108-N240 PolarHBondContact O-ND2 2.99Å; L111-N240 PolarHBondContact O-ND2 2.94Å; P112-N240 PolarHBondContact O-OD1 2.75Å; P113-N240 WeakPolarHBondContact CA-OD1 3.45Å; H114-N240 PolarHBondContact N-OD1 3.49Å; Y238-N240 VanDerWaalsContact C-N 3.32Å; Y238-N240 PolarHBondContact O-N 3.46Å; N240-A242 VanDerWaalsContact C-N 3.27Å; N240-A242 PolarHBondContact O-N 3.33Å; N240-C243 HydrophobicContact CB-CB 4.35Å; N240-C243 PolarHBondContact O-N 3.01Å; N240-A244 PolarHBondContact O-N 3.02Å
241N85.4Confident85.2Confident61 Ų6139.3 Ų39.333%0.32618%0.183SC..Hα-helixtrans-58.6-39.6168.6167.2-102.4000111.7K195 A244 D245 W267K195-N241 PolarHBondContact O-ND2 2.89Å; N241-A244 CarbonylContact O-C 3.51Å; N241-A244 WeakPolarHBondContact O-CB 3.08Å; N241-A244 PolarHBondContact O-N 2.88Å; N241-A244 VanDerWaalsContact O-N 3.15Å; N241-D245 PolarHBondContact O-N 3.5Å; N241-W267 WeakPolarHBondContact ND2-CH2 3.43Å
242A83.6Confident85.5Confident31 Ų3137.9 Ų37.926%0.25618%0.183SC..Hα-helixtrans-63.4-42.3177.100000112.8L108 L111 N240 A244 D245 Y246L108-A242 HydrophobicContact CD2-CB 3.74Å; L111-A242 HydrophobicContact CD1-CB 3.35Å; N240-A242 VanDerWaalsContact C-N 3.27Å; N240-A242 PolarHBondContact O-N 3.33Å; A242-A244 VanDerWaalsContact C-N 3.29Å; A242-A244 PolarHBondContact O-N 3.43Å; A242-D245 PolarHBondContact O-N 2.99Å; A242-Y246 WeakPolarHBondContact O-CB 3.46Å; A242-Y246 PolarHBondContact O-N 3.4Å
243C85.4Confident85.4Confident2 Ų241.6 Ų41.61%0.01420%0.199CC..Hα-helixtrans-59.7-41.8171.4-63.60000111.4L108 Y238 N240 S247L108-C243 PolarHBondContact O-SG 3.09Å; Y238-C243 HydrophobicContact CD1-CB 4.05Å; Y238-C243 HydrophobicContact CG-CB 4.32Å; N240-C243 HydrophobicContact CB-CB 4.35Å; N240-C243 PolarHBondContact O-N 3.01Å; C243-S247 VanDerWaalsContact O-CB 3.3Å; C243-S247 WeakPolarHBondContact O-CB 3.49Å; C243-S247 PolarHBondContact O-N 3.41Å; C243-S247 VanDerWaalsContact O-N 3.08Å; C243-S247 PolarHBondContact O-OG 3.27Å
244A87.7Confident84.6Confident0 Ų043.3 Ų43.30%022%0.22CC..Hα-helixtrans-67.3-40.7178.400000112.6L198 Y238 N240 N241 A242 R248 W267L198-A244 WeakPolarHBondContact CD1-O 3.37Å; L198-A244 HydrophobicContact CD2-CB 4.42Å; L198-A244 HydrophobicContact CG-CB 4.5Å; Y238-A244 HydrophobicContact CD2-CB 3.62Å; Y238-A244 HydrophobicContact CE2-CB 4.42Å; Y238-A244 HydrophobicContact CG-CB 3.95Å; N240-A244 PolarHBondContact O-N 3.02Å; N241-A244 CarbonylContact O-C 3.51Å; N241-A244 WeakPolarHBondContact O-CB 3.08Å; N241-A244 PolarHBondContact O-N 2.88Å; N241-A244 VanDerWaalsContact O-N 3.15Å; A242-A244 VanDerWaalsContact C-N 3.29Å; A242-A244 PolarHBondContact O-N 3.43Å; A244-R248 WeakPolarHBondContact O-CB 3.41Å; A244-R248 PolarHBondContact O-N 3.19Å; A244-W267 HydrophobicContact CB-CH2 3.87Å; A244-W267 HydrophobicContact CB-CZ3 3.62Å
245D87.7Confident83.8Confident38 Ų3850.7 Ų50.720%0.20326%0.259CS..Hα-helixtrans-76.1-37.1179.6-158.760.5000112.5N241 A242 S247 R248 Q249 W267N241-D245 PolarHBondContact O-N 3.5Å; A242-D245 PolarHBondContact O-N 2.99Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 PolarHBondContact O-N 3.07Å; D245-R248 WeakPolarHBondContact O-CB 3.49Å; D245-R248 PolarHBondContact O-N 3.35Å; D245-R248 IonicContact OD1-CZ 3.91Å; D245-R248 IonicContact OD1-NH1 2.66Å; D245-R248 PolarHBondContact OD1-NH1 3.44Å; D245-R248 IonicContact OD2-NH1 3.1Å; D245-Q249 VanDerWaalsContact O-CG 3.3Å; D245-Q249 WeakPolarHBondContact O-CG 3.46Å; D245-Q249 PolarHBondContact O-N 3.06Å; D245-Q249 PolarHBondContact OD2-NE2 3.02Å; D245-W267 HydrophobicContact CB-CH2 3.92Å; D245-W267 HydrophobicContact CB-CZ2 3.93Å; D245-W267 WeakPolarHBondContact OD1-CZ2 3.39Å
246Y85.8Confident83.1Confident51 Ų5151 Ų5120%0.226%0.26CS..Hα-helixtrans-55.4-51.3170.2-177.9-97.3000111D101 K104 Y105 L108 A242 R248 Q249 K250D101-Y246 PolarHBondContact OD1-OH 2.83Å; K104-Y246 HydrophobicContact CD-CE2 4.43Å; Y105-Y246 HydrophobicContact CD1-CE1 4.38Å; Y105-Y246 HydrophobicContact CE1-CD1 4.08Å; Y105-Y246 AromaticContact CE1-CE1 3.61Å; Y105-Y246 HydrophobicContact CE1-CE1 3.61Å; L108-Y246 HydrophobicContact CD1-CD1 3.95Å; L108-Y246 HydrophobicContact CD1-CD2 4.01Å; L108-Y246 HydrophobicContact CD1-CG 3.6Å; A242-Y246 WeakPolarHBondContact O-CB 3.46Å; A242-Y246 PolarHBondContact O-N 3.4Å; Y246-R248 VanDerWaalsContact C-N 3.31Å; Y246-R248 PolarHBondContact O-N 2.91Å; Y246-Q249 PolarHBondContact O-N 2.85Å; Y246-K250 HydrophobicContact CD1-CD 4.47Å; Y246-K250 HydrophobicContact CE1-CD 3.66Å; Y246-K250 WeakPolarHBondContact O-CB 3.43Å; Y246-K250 PolarHBondContact O-N 2.8Å
247S87.3Confident82.3Confident1 Ų157 Ų571%0.00729%0.286CS..Hα-helixtrans-64.7-36.1178.7-53.40000111.9Y238 C243 D245 M251Y238-S247 WeakPolarHBondContact CE1-OG 3.46Å; Y238-S247 VanDerWaalsContact CZ-CB 3.41Å; Y238-S247 VanDerWaalsContact OH-CB 3.22Å; Y238-S247 WeakPolarHBondContact OH-CB 3.39Å; C243-S247 VanDerWaalsContact O-CB 3.3Å; C243-S247 WeakPolarHBondContact O-CB 3.49Å; C243-S247 PolarHBondContact O-N 3.41Å; C243-S247 VanDerWaalsContact O-N 3.08Å; C243-S247 PolarHBondContact O-OG 3.27Å; D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 PolarHBondContact O-N 3.07Å; S247-M251 WeakPolarHBondContact O-CB 3.46Å; S247-M251 WeakPolarHBondContact O-CG 3.18Å; S247-M251 PolarHBondContact O-N 3.28Å
248R88.9Confident81.7Confident71 Ų7154.1 Ų54.127%0.26827%0.271SS..Hα-helixtrans-63.5-45.2173.9173.2-179.7161-90.1-14.5112L198 A244 D245 Y246 I252 V265L198-R248 HydrophobicContact CD1-CB 3.88Å; L198-R248 HydrophobicContact CD2-CB 3.88Å; L198-R248 HydrophobicContact CD2-CG 4.37Å; A244-R248 WeakPolarHBondContact O-CB 3.41Å; A244-R248 PolarHBondContact O-N 3.19Å; D245-R248 WeakPolarHBondContact O-CB 3.49Å; D245-R248 PolarHBondContact O-N 3.35Å; D245-R248 IonicContact OD1-CZ 3.91Å; D245-R248 IonicContact OD1-NH1 2.66Å; D245-R248 PolarHBondContact OD1-NH1 3.44Å; D245-R248 IonicContact OD2-NH1 3.1Å; Y246-R248 VanDerWaalsContact C-N 3.31Å; Y246-R248 PolarHBondContact O-N 2.91Å; R248-I252 HydrophobicContact CG-CD1 3.62Å; R248-I252 HydrophobicContact CG-CG1 4.45Å; R248-I252 WeakPolarHBondContact O-CB 3.42Å; R248-I252 WeakPolarHBondContact O-CD1 3.36Å; R248-I252 WeakPolarHBondContact O-CG1 3.33Å; R248-I252 PolarHBondContact O-N 3.45Å; R248-V265 HydrophobicContact CB-CG1 4.27Å; R248-V265 HydrophobicContact CG-CG1 4.06Å
249Q87.4Confident80.7Confident103 Ų10360.5 Ų60.548%0.48130%0.301SS..Hα-helixtrans-60.6-55.1176.2-69.1173.934.100109.9D245 Y246 M251 I252 D253D245-Q249 VanDerWaalsContact O-CG 3.3Å; D245-Q249 WeakPolarHBondContact O-CG 3.46Å; D245-Q249 PolarHBondContact O-N 3.06Å; D245-Q249 PolarHBondContact OD2-NE2 3.02Å; Y246-Q249 PolarHBondContact O-N 2.85Å; Q249-M251 PolarHBondContact O-N 3.47Å; Q249-M251 VanDerWaalsContact O-N 3.09Å; Q249-I252 PolarHBondContact O-N 2.99Å; Q249-D253 PolarHBondContact O-N 3.29Å
250K84.3Confident80.1Confident45 Ų4557.9 Ų57.920%0.19631%0.308CS..Hα-helixtrans-60.6-21.9-178.2-168.6164175-177.30114.3D101 Y105 V219 Y246 F256D101-K250 IonicContact OD1-NZ 2.7Å; D101-K250 PolarHBondContact OD1-NZ 3.47Å; D101-K250 IonicContact OD2-NZ 2.77Å; D101-K250 PolarHBondContact OD2-NZ 2.86Å; Y105-K250 PolarHBondContact OH-NZ 3.02Å; V219-K250 HydrophobicContact CG1-CB 3.92Å; V219-K250 HydrophobicContact CG1-CD 4Å; V219-K250 HydrophobicContact CG1-CG 3.9Å; Y246-K250 HydrophobicContact CD1-CD 4.47Å; Y246-K250 HydrophobicContact CE1-CD 3.66Å; Y246-K250 WeakPolarHBondContact O-CB 3.43Å; Y246-K250 PolarHBondContact O-N 2.8Å; K250-F256 WeakPolarHBondContact O-CB 3.31Å
251M82.5Confident79.5Confident2 Ų261.3 Ų61.31%0.0133%0.327CS..Hα-helixtrans-96.3-20172.4-63.4176.3-163.700115.3I200 I216 V219 Y238 S247 Q249 F256 P263 V265I200-M251 HydrophobicContact CD1-CE 4.23Å; I200-M251 HydrophobicContact CD1-SD 3.49Å; I200-M251 WeakPolarHBondContact CD1-SD 3.41Å; I200-M251 HydrophobicContact CG1-SD 4.38Å; I216-M251 HydrophobicContact CD1-CE 3.43Å; I216-M251 VanDerWaalsContact CD1-CE 3.43Å; I216-M251 HydrophobicContact CD1-SD 4.04Å; V219-M251 HydrophobicContact CB-CE 3.72Å; V219-M251 HydrophobicContact CG1-CE 3.42Å; V219-M251 VanDerWaalsContact CG1-CE 3.42Å; V219-M251 HydrophobicContact CG1-CG 3.94Å; V219-M251 HydrophobicContact CG2-CE 4.29Å; Y238-M251 WeakPolarHBondContact OH-CE 3.36Å; S247-M251 WeakPolarHBondContact O-CB 3.46Å; S247-M251 WeakPolarHBondContact O-CG 3.18Å; S247-M251 PolarHBondContact O-N 3.28Å; Q249-M251 PolarHBondContact O-N 3.47Å; Q249-M251 VanDerWaalsContact O-N 3.09Å; M251-F256 HydrophobicContact CB-CD1 3.87Å; M251-F256 HydrophobicContact CB-CE1 3.91Å; M251-F256 HydrophobicContact CG-CD1 4Å; M251-F256 HydrophobicContact CG-CE1 3.6Å; M251-F256 HydrophobicContact CG-CZ 3.93Å; M251-F256 HydrophobicContact SD-CE1 4.48Å; M251-P263 WeakPolarHBondContact O-CG 3.4Å; M251-V265 HydrophobicContact CB-CB 4.43Å; M251-V265 HydrophobicContact CB-CG2 3.6Å; M251-V265 HydrophobicContact SD-CG2 4.25Å
252I83.8Confident79.3Confident85 Ų8561.4 Ų61.444%0.43634%0.336SS..Hα-helixtrans-79.1-28.1171.8-73.9171000110.5R248 Q249 S254 V265R248-I252 HydrophobicContact CG-CD1 3.62Å; R248-I252 HydrophobicContact CG-CG1 4.45Å; R248-I252 WeakPolarHBondContact O-CB 3.42Å; R248-I252 WeakPolarHBondContact O-CD1 3.36Å; R248-I252 WeakPolarHBondContact O-CG1 3.33Å; R248-I252 PolarHBondContact O-N 3.45Å; Q249-I252 PolarHBondContact O-N 2.99Å; I252-S254 PolarHBondContact O-N 2.88Å; I252-V265 HydrophobicContact CG1-CB 4.06Å
253D79.5Confident79.2Confident92 Ų9260.6 Ų60.649%0.49233%0.328SS..SBendtrans-52.3133.1178.3-81-34.1000112.8Q249 N255 F256Q249-D253 PolarHBondContact O-N 3.29Å; D253-N255 PolarHBondContact O-N 3.4Å; D253-F256 PolarHBondContact O-N 2.77Å
254S68.2Low79.2Confident103 Ų10364.1 Ų64.172%0.7235%0.349SS*.THydrogen-bonded Turntrans-65.5-3.6-174.8-70.30000115.2I252 K257I252-S254 PolarHBondContact O-N 2.88Å; S254-K257 WeakPolarHBondContact O-CE 3.38Å; S254-K257 PolarHBondContact O-NZ 3.1Å
255N70.4Confident79.2Confident161 Ų16164.6 Ų64.686%0.86135%0.353SS*.THydrogen-bonded Turntrans-82.6-29.3171-67.1-18.6000112D253 K257D253-N255 PolarHBondContact O-N 3.4Å; N255-K257 PolarHBondContact O-N 3.38Å
256F72.1Confident79.3Confident42 Ų4265.8 Ų65.818%0.18436%0.361CS..  trans-84.7113.7-176.5-168.6-99.9000111.2V215 V219 K250 M251 D253 L258 P263V215-F256 HydrophobicContact CG1-CE2 3.98Å; V215-F256 HydrophobicContact CG1-CZ 3.55Å; V219-F256 HydrophobicContact CG2-CD2 4.26Å; V219-F256 HydrophobicContact CG2-CE2 3.48Å; V219-F256 VanDerWaalsContact CG2-CE2 3.48Å; V219-F256 HydrophobicContact CG2-CZ 3.95Å; K250-F256 WeakPolarHBondContact O-CB 3.31Å; M251-F256 HydrophobicContact CB-CD1 3.87Å; M251-F256 HydrophobicContact CB-CE1 3.91Å; M251-F256 HydrophobicContact CG-CD1 4Å; M251-F256 HydrophobicContact CG-CE1 3.6Å; M251-F256 HydrophobicContact CG-CZ 3.93Å; M251-F256 HydrophobicContact SD-CE1 4.48Å; D253-F256 PolarHBondContact O-N 2.77Å; F256-L258 HydrophobicContact CD1-CD2 4.45Å; F256-L258 HydrophobicContact CE1-CD2 3.64Å; F256-L258 HydrophobicContact CE1-CG 4.36Å; F256-L258 HydrophobicContact CZ-CD2 3.86Å; F256-P263 HydrophobicContact CD1-CG 3.76Å; F256-P263 HydrophobicContact CE1-CG 3.96Å
257K72.2Confident79.5Confident125 Ų12566.4 Ų66.454%0.54336%0.363SS..  trans-139.9117.8-175.3-66.1178.6-174.7157.60111.7S254 N255 E259 N261S254-K257 WeakPolarHBondContact O-CE 3.38Å; S254-K257 PolarHBondContact O-NZ 3.1Å; N255-K257 PolarHBondContact O-N 3.38Å; K257-E259 PolarHBondContact O-N 3.02Å; K257-N261 CarbonylContact C-O 3.52Å; K257-N261 VanDerWaalsContact CA-O 3.32Å; K257-N261 WeakPolarHBondContact CA-O 3.39Å
258L72Confident79.4Confident4 Ų466.7 Ų66.72%0.02137%0.366CS..BIsolated β-bridgetrans-80.3103.4173.9-48-176.1000108.3I203 P204 W207 V215 F256 G260 N261 P263I203-L258 HydrophobicContact CG1-CD1 4.33Å; P204-L258 HydrophobicContact CG-CB 4.03Å; W207-L258 HydrophobicContact CH2-CB 4.06Å; W207-L258 HydrophobicContact CH2-CD2 3.59Å; W207-L258 HydrophobicContact CH2-CG 4.34Å; W207-L258 HydrophobicContact CZ2-CB 4.16Å; W207-L258 HydrophobicContact CZ2-CD2 4.49Å; W207-L258 HydrophobicContact CZ3-CB 4.44Å; W207-L258 HydrophobicContact CZ3-CD2 3.75Å; W207-L258 HydrophobicContact CZ3-CG 4.45Å; V215-L258 HydrophobicContact CG1-CD2 3.79Å; F256-L258 HydrophobicContact CD1-CD2 4.45Å; F256-L258 HydrophobicContact CE1-CD2 3.64Å; F256-L258 HydrophobicContact CE1-CG 4.36Å; F256-L258 HydrophobicContact CZ-CD2 3.86Å; L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.18Å; L258-N261 PolarHBondContact N-O 3.4Å; L258-N261 WeakPolarHBondContact O-CB 3.2Å; L258-N261 PolarHBondContact O-N 2.84Å; L258-P263 HydrophobicContact CD1-CB 3.94Å; L258-P263 HydrophobicContact CD1-CG 4.47Å; L258-P263 HydrophobicContact CG-CB 4.33Å; L258-P263 HydrophobicContact CG-CG 4.38Å
259E65.4Low78.9Confident137 Ų13769.9 Ų69.964%0.6439%0.388SS*.THydrogen-bonded Turntrans50.942.9-174.8-75.6-66142.800113.3P204 W207 K257 N261P204-E259 HydrophobicContact CG-CB 4.03Å; P204-E259 HydrophobicContact CG-CG 4.49Å; W207-E259 HydrophobicContact CZ2-CG 4.25Å; W207-E259 VanDerWaalsContact NE1-CG 3.25Å; K257-E259 PolarHBondContact O-N 3.02Å; E259-N261 PolarHBondContact O-N 2.95Å
260G69.3Low78.1Confident58 Ų5870.4 Ų70.460%0.59840%0.401SS*.THydrogen-bonded Turntrans78.7-10.8-17900000115.4L258L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.18Å
261N71.8Confident77.1Confident76 Ų7675.3 Ų75.341%0.40642%0.422SS..BIsolated β-bridgetrans-83.3136.5170.8-68.2-41000110.8K257 L258 E259K257-N261 CarbonylContact C-O 3.52Å; K257-N261 VanDerWaalsContact CA-O 3.32Å; K257-N261 WeakPolarHBondContact CA-O 3.39Å; L258-N261 PolarHBondContact N-O 3.4Å; L258-N261 WeakPolarHBondContact O-CB 3.2Å; L258-N261 PolarHBondContact O-N 2.84Å; E259-N261 PolarHBondContact O-N 2.95Å
262A79.4Confident75.6Confident62 Ų6280.3 Ų80.351%0.51246%0.457SS..PPolyproline II helixtrans-73129.2164.300000109.3N202N202-A262 PolarHBondContact ND2-O 3.2Å
263P82.7Confident73.9Confident14 Ų1477.1 Ų77.19%0.09144%0.442CS..PPolyproline II helixtrans-69.5151172.529.5-33.1000110.8I200 G201 M251 F256 L258 V265I200-P263 HydrophobicContact CG2-CB 4.13Å; G201-P263 WeakPolarHBondContact O-CA 3.26Å; M251-P263 WeakPolarHBondContact O-CG 3.4Å; F256-P263 HydrophobicContact CD1-CG 3.76Å; F256-P263 HydrophobicContact CE1-CG 3.96Å; L258-P263 HydrophobicContact CD1-CB 3.94Å; L258-P263 HydrophobicContact CD1-CG 4.47Å; L258-P263 HydrophobicContact CG-CB 4.33Å; L258-P263 HydrophobicContact CG-CG 4.38Å; P263-V265 HydrophobicContact CB-CG2 4.02Å; P263-V265 HydrophobicContact CG-CG2 4.05Å; P263-V265 PolarHBondContact O-N 3.44Å
264T84.5Confident72.5Confident76 Ų7676.2 Ų76.247%0.46644%0.441SS..EExtended strand (participates in β ladder)trans-93.289.7171.3-52.80000109G201 T266G201-T264 PolarHBondContact N-O 3.48Å; G201-T264 PolarHBondContact O-N 3.21Å; T264-T266 HydrophobicContact CG2-CG2 4.48Å
265V88.6Confident71.6Confident11 Ų1177.6 Ų77.67%0.06744%0.437CS..EExtended strand (participates in β ladder)trans-93.9116.1179.8-172.40000110.9L198 F199 I200 R248 M251 I252 P263L198-V265 HydrophobicContact CB-CG1 4.42Å; L198-V265 HydrophobicContact CD1-CG1 3.89Å; F199-V265 WeakPolarHBondContact O-CA 3.35Å; I200-V265 HydrophobicContact CG1-CG1 4.29Å; I200-V265 HydrophobicContact CG1-CG2 4.14Å; I200-V265 HydrophobicContact CG2-CG2 4.29Å; R248-V265 HydrophobicContact CB-CG1 4.27Å; R248-V265 HydrophobicContact CG-CG1 4.06Å; M251-V265 HydrophobicContact CB-CB 4.43Å; M251-V265 HydrophobicContact CB-CG2 3.6Å; M251-V265 HydrophobicContact SD-CG2 4.25Å; I252-V265 HydrophobicContact CG1-CB 4.06Å; P263-V265 HydrophobicContact CB-CG2 4.02Å; P263-V265 HydrophobicContact CG-CG2 4.05Å; P263-V265 PolarHBondContact O-N 3.44Å
266T89.4Confident70.8Confident62 Ų6277.4 Ų77.438%0.3843%0.43SS..EExtended strand (participates in β ladder)trans-128.5164.4173.365.60000109.8L198 F199 T264 A268L198-T266 WeakPolarHBondContact CA-O 3.07Å; F199-T266 PolarHBondContact N-O 3.18Å; F199-T266 PolarHBondContact O-N 3.13Å; T264-T266 HydrophobicContact CG2-CG2 4.48Å; T266-A268 PolarHBondContact O-N 3.04Å
267W89.3Confident70.2Confident64 Ų6477.5 Ų77.524%0.24244%0.436CS..EExtended strand (participates in β ladder)trans-56.1136.2159.5-66.8114.8000109.2K195 L198 N241 A244 D245K195-W267 HydrophobicContact CB-CD2 3.82Å; K195-W267 HydrophobicContact CB-CE3 3.41Å; K195-W267 VanDerWaalsContact CB-CE3 3.41Å; K195-W267 HydrophobicContact CB-CG 4.39Å; K195-W267 HydrophobicContact CB-CH2 4.45Å; K195-W267 HydrophobicContact CB-CZ3 3.79Å; K195-W267 HydrophobicContact CD-CB 3.91Å; K195-W267 HydrophobicContact CD-CD2 4.18Å; K195-W267 HydrophobicContact CD-CG 3.88Å; K195-W267 WeakPolarHBondContact O-CH2 3.48Å; K195-W267 WeakPolarHBondContact O-CZ3 3.34Å; L198-W267 HydrophobicContact CD2-CD2 4.25Å; L198-W267 HydrophobicContact CD2-CE3 3.55Å; L198-W267 HydrophobicContact CD2-CH2 4.26Å; L198-W267 HydrophobicContact CD2-CZ3 3.55Å; N241-W267 WeakPolarHBondContact ND2-CH2 3.43Å; A244-W267 HydrophobicContact CB-CH2 3.87Å; A244-W267 HydrophobicContact CB-CZ3 3.62Å; D245-W267 HydrophobicContact CB-CH2 3.92Å; D245-W267 HydrophobicContact CB-CZ2 3.93Å; D245-W267 WeakPolarHBondContact OD1-CZ2 3.39Å
268A85.6Confident69.7Low8 Ų875.1 Ų75.17%0.06644%0.44CS..PPolyproline II helixtrans-75.1144.6169.800000109.3R197 F199 F235 T266R197-A268 HydrophobicContact CB-CB 4.11Å; R197-A268 HydrophobicContact CG-CB 3.9Å; R197-A268 WeakPolarHBondContact O-CB 3.31Å; R197-A268 PolarHBondContact O-N 3.44Å; F199-A268 HydrophobicContact CB-CB 4.26Å; F235-A268 HydrophobicContact CD1-CB 3.71Å; F235-A268 HydrophobicContact CE1-CB 3.87Å; T266-A268 PolarHBondContact O-N 3.04Å
269D79.1Confident69.3Low137 Ų13776.9 Ų76.973%0.73346%0.455SS*.PPolyproline II helixtrans-57.1141167-58-55.9000109.8K271D269-K271 PolarHBondContact O-N 3.38Å; D269-K271 VanDerWaalsContact O-N 3.08Å
270P69.3Low69.3Low115 Ų11570.7 Ų70.775%0.74743%0.427SS*.PPolyproline II helixtrans-56.4121.217623.9-32.9000108.5S272P270-S272 PolarHBondContact O-N 3.48Å
271K63.7Low69.3Low148 Ų14870 Ų7064%0.64342%0.416SS*.  trans-64.7105.4-178.8-178-167.7174.6-161.40107.3D269 S273D269-K271 PolarHBondContact O-N 3.38Å; D269-K271 VanDerWaalsContact O-N 3.08Å; K271-S273 PolarHBondContact O-N 2.89Å
272S50.6Low69.4Low106 Ų10673.5 Ų73.574%0.74143%0.43SS*.  trans-66.973.8171.5-169.40000109.9P270P270-S272 PolarHBondContact O-N 3.48Å
273S48.6Very low69.4Low19 Ų1971.1 Ų71.113%0.13341%0.409CS..  trans-73.3131164.1-149.20000106.5K271 E275 H276K271-S273 PolarHBondContact O-N 2.89Å; S273-E275 PolarHBondContact O-N 2.94Å; S273-E275 PolarHBondContact OG-OE2 3.24Å; S273-H276 PolarHBondContact O-N 2.89Å
274P49.7Very low69.6Low73 Ų7375.5 Ų75.547%0.47443%0.426SS..THydrogen-bonded Turntrans-7018.2179.732-37.3000113.7A280P274-A280 WeakPolarHBondContact O-CB 3.33Å
275E50.6Low69.9Low132 Ų13272.5 Ų72.562%0.61741%0.409SS*.THydrogen-bonded Turntrans-105.9-27.1171.8-58.4146.2146.700111.7S273S273-E275 PolarHBondContact O-N 2.94Å; S273-E275 PolarHBondContact OG-OE2 3.24Å
276H53.7Low69.9Low156 Ų15672 Ų7272%0.72241%0.406SS*.THydrogen-bonded Turntrans-113.7-2.2-170.1-72.677.2000113.7S273S273-H276 PolarHBondContact O-N 2.89Å
277S58.7Low69.9Low45 Ų4572.2 Ų72.232%0.31540%0.401SS..SBendtrans-67.7145.6169.3-179.70000110.6A279 A280 A281S277-A279 PolarHBondContact O-N 2.98Å; S277-A279 PolarHBondContact OG-N 3.04Å; S277-A280 CarbonylContact O-C 3.56Å; S277-A280 WeakPolarHBondContact O-CA 3.21Å; S277-A280 VanDerWaalsContact O-CB 3.26Å; S277-A280 WeakPolarHBondContact O-CB 3.39Å; S277-A280 PolarHBondContact O-N 3.09Å; S277-A281 PolarHBondContact O-N 3.11Å
278A62Low69.9Low75 Ų7569.2 Ų69.262%0.6239%0.389SS*.Hα-helixtrans-53.6-37.5171.900000112.5A280 A281 Q282A278-A280 VanDerWaalsContact C-N 3.3Å; A278-A280 PolarHBondContact O-N 2.97Å; A278-A281 WeakPolarHBondContact O-CB 3.34Å; A278-A281 PolarHBondContact O-N 3.33Å; A278-Q282 PolarHBondContact O-N 3.44Å
279A63.7Low69.9Low41 Ų4172.4 Ų72.434%0.33940%0.402SS..Hα-helixtrans-65-31.7173.900000112.9S277 Q282 V283 P360S277-A279 PolarHBondContact O-N 2.98Å; S277-A279 PolarHBondContact OG-N 3.04Å; A279-Q282 PolarHBondContact O-N 3.07Å; A279-V283 WeakPolarHBondContact O-CG2 3.42Å; A279-V283 PolarHBondContact O-N 3.26Å; A279-P360 HydrophobicContact CB-CB 3.86Å; A279-P360 HydrophobicContact CB-CG 4.05Å
280A65.7Low70.2Confident6 Ų669.1 Ų69.15%0.0538%0.384CS..Hα-helixtrans-72.6-36.7172.800000112P274 S277 A278 Q282 V283 P360P274-A280 WeakPolarHBondContact O-CB 3.33Å; S277-A280 CarbonylContact O-C 3.56Å; S277-A280 WeakPolarHBondContact O-CA 3.21Å; S277-A280 VanDerWaalsContact O-CB 3.26Å; S277-A280 WeakPolarHBondContact O-CB 3.39Å; S277-A280 PolarHBondContact O-N 3.09Å; A278-A280 VanDerWaalsContact C-N 3.3Å; A278-A280 PolarHBondContact O-N 2.97Å; A280-Q282 PolarHBondContact O-N 2.78Å; A280-V283 PolarHBondContact O-N 3.31Å; A280-V283 VanDerWaalsContact O-N 3.13Å; A280-P360 HydrophobicContact CB-CG 4.5Å
281A67.9Low70.9Confident45 Ų4564.1 Ų64.137%0.37235%0.351SS..Hα-helixtrans-65.4-11.8172.200000113.5S277 A278 R333S277-A281 PolarHBondContact O-N 3.11Å; A278-A281 WeakPolarHBondContact O-CB 3.34Å; A278-A281 PolarHBondContact O-N 3.33Å; A281-R333 WeakPolarHBondContact O-CD 3.49Å; A281-R333 PolarHBondContact O-NE 3.33Å; A281-R333 PolarHBondContact O-NH1 2.75Å
282Q74.5Confident71.7Confident148 Ų14857.4 Ų57.469%0.69232%0.323SS*.THydrogen-bonded Turntrans-105.2-0.7174.5-68.7174.3-1700113.9A278 A279 A280 K284A278-Q282 PolarHBondContact O-N 3.44Å; A279-Q282 PolarHBondContact O-N 3.07Å; A280-Q282 PolarHBondContact O-N 2.78Å; Q282-K284 PolarHBondContact O-N 3.48Å
283V79.3Confident72.9Confident13 Ų1357.2 Ų57.28%0.07931%0.31CS..  trans-65.2110.5-179.3170.60000111A279 A280 A285 L357 A358 P360A279-V283 WeakPolarHBondContact O-CG2 3.42Å; A279-V283 PolarHBondContact O-N 3.26Å; A280-V283 PolarHBondContact O-N 3.31Å; A280-V283 VanDerWaalsContact O-N 3.13Å; V283-A285 HydrophobicContact CG1-CB 4.49Å; V283-A285 WeakPolarHBondContact CG1-O 3.45Å; V283-L357 HydrophobicContact CG1-CB 4.4Å; V283-L357 HydrophobicContact CG1-CD2 3.92Å; V283-A358 HydrophobicContact CG1-CB 4.37Å; V283-A358 WeakPolarHBondContact CG1-O 3.36Å; V283-A358 WeakPolarHBondContact CG2-O 3.1Å; V283-P360 HydrophobicContact CG2-CB 3.93Å; V283-P360 HydrophobicContact CG2-CG 4.33Å
284K87.5Confident74Confident105 Ų10563.2 Ų63.246%0.45734%0.34SS..  trans-93.97.8167.5-58.4-177174.3-169.80113.3Q282 Y330 A331 R333Q282-K284 PolarHBondContact O-N 3.48Å; K284-Y330 PolarHBondContact O-N 3.12Å; K284-A331 WeakPolarHBondContact CD-O 3.26Å; K284-A331 WeakPolarHBondContact CE-O 3.47Å; K284-A331 PolarHBondContact NZ-O 2.88Å; K284-R333 HydrophobicContact CG-CB 4.36Å
285A90Very high75.3Confident13 Ų1360.1 Ų60.111%0.10732%0.32CS..EExtended strand (participates in β ladder)trans-119.5142.5-171.700000112.7V283 V328 A358V283-A285 HydrophobicContact CG1-CB 4.49Å; V283-A285 WeakPolarHBondContact CG1-O 3.45Å; A285-V328 CarbonylContact C-O 3.47Å; A285-V328 VanDerWaalsContact CA-O 3.29Å; A285-V328 WeakPolarHBondContact CA-O 3.48Å; A285-A358 HydrophobicContact CB-CB 3.91Å; A285-A358 VanDerWaalsContact O-CB 3.23Å; A285-A358 WeakPolarHBondContact O-CB 3.14Å; A285-A358 PolarHBondContact O-N 3.47Å
286L89.4Confident76.8Confident0 Ų055.6 Ų55.60%030%0.303CS..EExtended strand (participates in β ladder)trans-100.5146.3172.1-57-175.1000110.6V288 F304 F327 V328 Y330 A336 A339 V340 V355 V356 L357L286-V288 HydrophobicContact CB-CG2 4.26Å; L286-F304 HydrophobicContact CD1-CD1 4.08Å; L286-F304 HydrophobicContact CD1-CE1 4.06Å; L286-F327 WeakPolarHBondContact O-CA 3.5Å; L286-V328 HydrophobicContact CB-CB 4.4Å; L286-V328 PolarHBondContact N-O 3.44Å; L286-V328 PolarHBondContact O-N 3.3Å; L286-Y330 HydrophobicContact CD1-CE2 3.7Å; L286-Y330 HydrophobicContact CG-CE2 3.98Å; L286-A336 HydrophobicContact CD2-CB 4.11Å; L286-A339 HydrophobicContact CD1-CB 3.8Å; L286-V340 HydrophobicContact CD2-CG2 3.44Å; L286-V340 VanDerWaalsContact CD2-CG2 3.44Å; L286-V355 HydrophobicContact CB-CG1 4.42Å; L286-V355 HydrophobicContact CD1-CG1 3.72Å; L286-V355 HydrophobicContact CG-CG1 4.47Å; L286-V356 CarbonylContact C-O 3.48Å; L286-V356 WeakPolarHBondContact CA-O 3.34Å; L286-L357 HydrophobicContact CD2-CD2 4.27Å
287Y89.1Confident78.2Confident67 Ų6751.8 Ų51.826%0.26329%0.291SS..EExtended strand (participates in β ladder)trans-98.4122160.5174.4-104.8000108K289 F325 F327 V356Y287-K289 HydrophobicContact CD1-CB 4.45Å; Y287-K289 HydrophobicContact CE1-CB 3.72Å; Y287-K289 HydrophobicContact CE1-CD 3.94Å; Y287-K289 HydrophobicContact CE1-CG 4.48Å; Y287-F325 HydrophobicContact CE2-CB 3.82Å; Y287-F325 AromaticContact CE2-CD2 3.75Å; Y287-F325 HydrophobicContact CE2-CD2 3.75Å; Y287-F325 HydrophobicContact CE2-CG 4.04Å; Y287-F327 HydrophobicContact CD2-CD1 4.23Å; Y287-F327 AromaticContact CD2-CE1 3.66Å; Y287-F327 HydrophobicContact CD2-CE1 3.66Å; Y287-F327 AromaticContact CD2-CZ 3.86Å; Y287-F327 HydrophobicContact CD2-CZ 3.86Å; Y287-F327 HydrophobicContact CE2-CZ 4.33Å; Y287-F327 HydrophobicContact CG-CE1 4.46Å; Y287-V356 PolarHBondContact N-O 3.33Å; Y287-V356 PolarHBondContact O-N 2.95Å
288V88.8Confident79.5Confident1 Ų156.4 Ų56.41%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-116124.8-177.8-177.20000108L286 I291 F304 F325 G326 V328 L353 E354 V355L286-V288 HydrophobicContact CB-CG2 4.26Å; V288-I291 HydrophobicContact CB-CD1 4.2Å; V288-I291 HydrophobicContact CG1-CD1 3.97Å; V288-I291 HydrophobicContact CG1-CG1 3.88Å; V288-F304 HydrophobicContact CG1-CE2 4.17Å; V288-F304 HydrophobicContact CG1-CZ 4.13Å; V288-F304 HydrophobicContact CG2-CE1 4.5Å; V288-F304 HydrophobicContact CG2-CE2 3.81Å; V288-F304 HydrophobicContact CG2-CZ 3.67Å; V288-F325 CarbonylContact O-C 3.6Å; V288-F325 WeakPolarHBondContact O-CA 3.03Å; V288-G326 PolarHBondContact N-O 3.03Å; V288-G326 PolarHBondContact O-N 2.83Å; V288-V328 HydrophobicContact CG2-CG2 3.92Å; V288-L353 HydrophobicContact CG1-CB 4.18Å; V288-L353 HydrophobicContact CG1-CD1 3.86Å; V288-L353 HydrophobicContact CG1-CG 4.42Å; V288-E354 WeakPolarHBondContact CA-O 3.42Å; V288-V355 HydrophobicContact CG1-CG2 4.37Å; V288-V355 HydrophobicContact CG2-CG2 4.42Å
289K86.6Confident80.6Confident76 Ų7656.5 Ų56.533%0.3330%0.295SS..EExtended strand (participates in β ladder)trans-125.4159.8-174.9164.6165.5166.4-90.20111Y287 D324 L353 E354Y287-K289 HydrophobicContact CD1-CB 4.45Å; Y287-K289 HydrophobicContact CE1-CB 3.72Å; Y287-K289 HydrophobicContact CE1-CD 3.94Å; Y287-K289 HydrophobicContact CE1-CG 4.48Å; K289-D324 CarbonylContact C-O 3.46Å; K289-L353 WeakPolarHBondContact O-CA 3.32Å; K289-E354 HydrophobicContact CB-CB 4.09Å; K289-E354 HydrophobicContact CG-CB 4.33Å; K289-E354 PolarHBondContact N-O 3.27Å; K289-E354 IonicContact NZ-OE1 2.59Å; K289-E354 PolarHBondContact NZ-OE1 3.28Å; K289-E354 IonicContact NZ-OE2 3.02Å; K289-E354 PolarHBondContact NZ-OE2 2.86Å; K289-E354 PolarHBondContact O-N 3.1Å
290N85.5Confident81.7Confident67 Ų6754.7 Ų54.736%0.35828%0.28SS..SBendtrans66.833.1-173-161.348.4000113.5P292 D324 P352 L353N290-P292 WeakPolarHBondContact O-CD 3.45Å; N290-D324 PolarHBondContact N-O 2.88Å; N290-P352 PolarHBondContact ND2-O 3.42Å; N290-L353 WeakPolarHBondContact O-CD2 3.23Å
291I84.2Confident82.8Confident11 Ų1158.8 Ų58.86%0.05630%0.297CS..  trans-68.7127.6177.5-56.4178.5000109.5V288 T295 L300 T315 D324 L353V288-I291 HydrophobicContact CB-CD1 4.2Å; V288-I291 HydrophobicContact CG1-CD1 3.97Å; V288-I291 HydrophobicContact CG1-CG1 3.88Å; I291-T295 HydrophobicContact CG2-CG2 4.35Å; I291-L300 HydrophobicContact CD1-CD1 4.14Å; I291-L300 HydrophobicContact CD1-CD2 4.4Å; I291-L300 HydrophobicContact CG2-CD1 4.36Å; I291-T315 HydrophobicContact CD1-CG2 4.45Å; I291-D324 PolarHBondContact N-O 3.46Å; I291-L353 HydrophobicContact CB-CD2 4.48Å; I291-L353 HydrophobicContact CG1-CD2 4.18Å
292P78.7Confident83.7Confident7 Ų763.4 Ų63.45%0.04531%0.311CS..  trans-64.5140174.7-16.824.4000111.9N290 N294 T295 V348 N349 Q351N290-P292 WeakPolarHBondContact O-CD 3.45Å; P292-N294 PolarHBondContact O-N 3.26Å; P292-N294 VanDerWaalsContact O-N 3.07Å; P292-T295 WeakPolarHBondContact CB-OG1 3.36Å; P292-T295 VanDerWaalsContact CD-OG1 3.26Å; P292-T295 WeakPolarHBondContact CD-OG1 3.4Å; P292-T295 WeakPolarHBondContact CG-OG1 3.24Å; P292-T295 VanDerWaalsContact O-CB 3.26Å; P292-T295 WeakPolarHBondContact O-CB 3.15Å; P292-T295 PolarHBondContact O-N 2.9Å; P292-T295 PolarHBondContact O-OG1 2.98Å; P292-V348 HydrophobicContact CG-CB 4.07Å; P292-V348 HydrophobicContact CG-CG1 4.2Å; P292-V348 VanDerWaalsContact CG-O 3.23Å; P292-V348 WeakPolarHBondContact CG-O 3.42Å; P292-N349 HydrophobicContact CG-CB 4.36Å; P292-Q351 HydrophobicContact CG-CB 4.16Å; P292-Q351 HydrophobicContact CG-CG 4.28Å
293E75.8Confident84.2Confident101 Ų10158.2 Ų58.247%0.47229%0.287SS..THydrogen-bonded Turntrans-61.3-22.7-176.1-165.8160.9-13100113.9K322 R323E293-K322 WeakPolarHBondContact OE1-CA 3.29Å; E293-R323 PolarHBondContact O-NH2 2.81Å
294N73.3Confident84.6Confident145 Ų14557.6 Ų57.678%0.77528%0.284SS*.THydrogen-bonded Turntrans-83.9-6.5175.2-70.8-10.2000114.6P292P292-N294 PolarHBondContact O-N 3.26Å; P292-N294 VanDerWaalsContact O-N 3.07Å
295T76.1Confident84.6Confident9 Ų957.2 Ų57.26%0.05528%0.283CS..  trans-76.1131.6-174.1-46.90000111I291 P292 Q299 L300 V348I291-T295 HydrophobicContact CG2-CG2 4.35Å; P292-T295 WeakPolarHBondContact CB-OG1 3.36Å; P292-T295 VanDerWaalsContact CD-OG1 3.26Å; P292-T295 WeakPolarHBondContact CD-OG1 3.4Å; P292-T295 WeakPolarHBondContact CG-OG1 3.24Å; P292-T295 VanDerWaalsContact O-CB 3.26Å; P292-T295 WeakPolarHBondContact O-CB 3.15Å; P292-T295 PolarHBondContact O-N 2.9Å; P292-T295 PolarHBondContact O-OG1 2.98Å; T295-Q299 HydrophobicContact CG2-CB 4.04Å; T295-L300 HydrophobicContact CG2-CD2 4.32Å; T295-L300 HydrophobicContact CG2-CG 3.98Å; T295-V348 HydrophobicContact CG2-CG1 3.8Å
296S81.4Confident84.4Confident36 Ų3665.2 Ų65.225%0.25231%0.311SS..  trans-83.8159173.283.90000111.9E298 Q299 L300S296-E298 PolarHBondContact O-N 2.84Å; S296-E298 WeakPolarHBondContact OG-CB 3.43Å; S296-E298 PolarHBondContact OG-N 3.02Å; S296-E298 PolarHBondContact OG-OE2 3.14Å; S296-Q299 PolarHBondContact O-N 2.95Å; S296-Q299 PolarHBondContact OG-N 3.47Å; S296-Q299 VanDerWaalsContact OG-N 3.1Å; S296-L300 PolarHBondContact O-N 3.14Å
297T84.9Confident84.1Confident76 Ų7666.1 Ų66.147%0.46632%0.315SS..Hα-helixtrans-63.5-25.4170.241.30000112.3K301 I313T297-K301 PolarHBondContact O-N 3.08Å; T297-I313 HydrophobicContact CG2-CG2 4.09Å; T297-I313 VanDerWaalsContact O-CD1 3.29Å; T297-I313 WeakPolarHBondContact O-CD1 3.43Å
298E86.1Confident84Confident143 Ų14364 Ų6467%0.66831%0.314SS*.Hα-helixtrans-72-42.4176.4-57.3145.2159.400110.9S296 L300 K301 E302S296-E298 PolarHBondContact O-N 2.84Å; S296-E298 WeakPolarHBondContact OG-CB 3.43Å; S296-E298 PolarHBondContact OG-N 3.02Å; S296-E298 PolarHBondContact OG-OE2 3.14Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.33Å; E298-K301 CarbonylContact O-C 3.49Å; E298-K301 WeakPolarHBondContact O-CA 3.48Å; E298-K301 WeakPolarHBondContact O-CB 3.38Å; E298-K301 PolarHBondContact O-N 3.14Å; E298-E302 PolarHBondContact O-N 3.42Å
299Q85.1Confident84Confident76 Ų7670.2 Ų70.236%0.35534%0.342SS..Hα-helixtrans-61.2-41.3174.1-72.5174.6-31.900111.7T295 S296 K301 E302 L303T295-Q299 HydrophobicContact CG2-CB 4.04Å; S296-Q299 PolarHBondContact O-N 2.95Å; S296-Q299 PolarHBondContact OG-N 3.47Å; S296-Q299 VanDerWaalsContact OG-N 3.1Å; Q299-K301 VanDerWaalsContact C-N 3.32Å; Q299-E302 PolarHBondContact O-N 2.7Å; Q299-L303 WeakPolarHBondContact O-CB 3.16Å; Q299-L303 WeakPolarHBondContact O-CD1 3.26Å; Q299-L303 VanDerWaalsContact O-CG 3.26Å; Q299-L303 WeakPolarHBondContact O-CG 3.38Å; Q299-L303 PolarHBondContact O-N 3.33Å; Q299-L303 VanDerWaalsContact O-N 3.07Å
300L86.3Confident84.3Confident4 Ų466.9 Ų66.92%0.02133%0.328CS..Hα-helixtrans-62.6-39.2171.8-70167000111.3I291 T295 S296 E298 F304 I313 L353I291-L300 HydrophobicContact CD1-CD1 4.14Å; I291-L300 HydrophobicContact CD1-CD2 4.4Å; I291-L300 HydrophobicContact CG2-CD1 4.36Å; T295-L300 HydrophobicContact CG2-CD2 4.32Å; T295-L300 HydrophobicContact CG2-CG 3.98Å; S296-L300 PolarHBondContact O-N 3.14Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.33Å; L300-F304 HydrophobicContact CD2-CE2 4.14Å; L300-F304 VanDerWaalsContact O-CD2 3.26Å; L300-F304 WeakPolarHBondContact O-CD2 3.02Å; L300-F304 PolarHBondContact O-N 2.76Å; L300-F304 VanDerWaalsContact O-N 3.11Å; L300-I313 HydrophobicContact CB-CD1 4.04Å; L300-I313 HydrophobicContact CD1-CG2 4.4Å; L300-L353 HydrophobicContact CD2-CD1 4.31Å
301K87.4Confident84.4Confident92 Ų9267.6 Ų67.640%0.434%0.336SS..Hα-helixtrans-62.3-51.9175.4-161-173.9-178.2-172.70111T297 E298 Q299 L303 F304 Q305 V310 I313T297-K301 PolarHBondContact O-N 3.08Å; E298-K301 CarbonylContact O-C 3.49Å; E298-K301 WeakPolarHBondContact O-CA 3.48Å; E298-K301 WeakPolarHBondContact O-CB 3.38Å; E298-K301 PolarHBondContact O-N 3.14Å; Q299-K301 VanDerWaalsContact C-N 3.32Å; K301-L303 VanDerWaalsContact C-N 3.31Å; K301-L303 PolarHBondContact O-N 2.67Å; K301-F304 PolarHBondContact O-N 2.97Å; K301-Q305 VanDerWaalsContact CE-OE1 3.25Å; K301-Q305 WeakPolarHBondContact O-CA 3.46Å; K301-Q305 WeakPolarHBondContact O-CB 3.24Å; K301-Q305 PolarHBondContact O-N 2.69Å; K301-V310 HydrophobicContact CG-CB 4.23Å; K301-V310 HydrophobicContact CG-CG1 4.32Å; K301-I313 HydrophobicContact CB-CD1 3.68Å; K301-I313 HydrophobicContact CG-CD1 4.24Å
302E86.7Confident84.6Confident142 Ų14273.1 Ų73.166%0.66436%0.359SS*.Hα-helixtrans-59.2-38.7-178.2-170.1-177.5175.900112.8E298 Q299E298-E302 PolarHBondContact O-N 3.42Å; Q299-E302 PolarHBondContact O-N 2.7Å
303L85.9Confident85.1Confident39 Ų3974.6 Ų74.620%0.20437%0.366CS..Hα-helixtrans-66.4-52.6175.7-72.6163.4000112.2Q299 K301 R306 V348Q299-L303 WeakPolarHBondContact O-CB 3.16Å; Q299-L303 WeakPolarHBondContact O-CD1 3.26Å; Q299-L303 VanDerWaalsContact O-CG 3.26Å; Q299-L303 WeakPolarHBondContact O-CG 3.38Å; Q299-L303 PolarHBondContact O-N 3.33Å; Q299-L303 VanDerWaalsContact O-N 3.07Å; K301-L303 VanDerWaalsContact C-N 3.31Å; K301-L303 PolarHBondContact O-N 2.67Å; L303-R306 WeakPolarHBondContact O-CG 3.36Å; L303-V348 HydrophobicContact CD1-CG2 3.41Å; L303-V348 VanDerWaalsContact CD1-CG2 3.41Å
304F86.9Confident85.6Confident0 Ų072.4 Ų72.40%036%0.359CS..Hα-helixtrans-79.2-25.8-174.4-74.1-65.3000113.4L286 V288 L300 K301 R306 H307 V310 V328 Y330 A339 Y346 L353 V355L286-F304 HydrophobicContact CD1-CD1 4.08Å; L286-F304 HydrophobicContact CD1-CE1 4.06Å; V288-F304 HydrophobicContact CG1-CE2 4.17Å; V288-F304 HydrophobicContact CG1-CZ 4.13Å; V288-F304 HydrophobicContact CG2-CE1 4.5Å; V288-F304 HydrophobicContact CG2-CE2 3.81Å; V288-F304 HydrophobicContact CG2-CZ 3.67Å; L300-F304 HydrophobicContact CD2-CE2 4.14Å; L300-F304 VanDerWaalsContact O-CD2 3.26Å; L300-F304 WeakPolarHBondContact O-CD2 3.02Å; L300-F304 PolarHBondContact O-N 2.76Å; L300-F304 VanDerWaalsContact O-N 3.11Å; K301-F304 PolarHBondContact O-N 2.97Å; F304-R306 PolarHBondContact O-N 2.89Å; F304-H307 PolarHBondContact O-N 2.66Å; F304-H307 VanDerWaalsContact O-N 3.08Å; F304-V310 HydrophobicContact CB-CG2 3.97Å; F304-V328 HydrophobicContact CB-CG1 3.94Å; F304-V328 HydrophobicContact CD2-CG1 4.28Å; F304-V328 HydrophobicContact CD2-CG2 3.83Å; F304-V328 HydrophobicContact CE2-CG2 4.14Å; F304-V328 HydrophobicContact CG-CG1 4.15Å; F304-V328 HydrophobicContact CG-CG2 4.45Å; F304-Y330 WeakPolarHBondContact CB-OH 3.36Å; F304-Y330 WeakPolarHBondContact O-CE1 3.49Å; F304-Y330 PolarHBondContact O-OH 3.21Å; F304-A339 HydrophobicContact CD1-CB 4.42Å; F304-Y346 HydrophobicContact CD1-CE1 4.41Å; F304-Y346 HydrophobicContact CE1-CD1 4.36Å; F304-Y346 HydrophobicContact CE1-CD2 4.12Å; F304-Y346 HydrophobicContact CE1-CE1 4.17Å; F304-Y346 AromaticContact CE1-CE2 3.9Å; F304-Y346 HydrophobicContact CE1-CE2 3.9Å; F304-Y346 HydrophobicContact CE1-CG 4.33Å; F304-Y346 AromaticContact CE1-CZ 3.92Å; F304-Y346 HydrophobicContact CZ-CD2 4.42Å; F304-Y346 HydrophobicContact CZ-CG 4.45Å; F304-L353 HydrophobicContact CE2-CD1 4.43Å; F304-L353 HydrophobicContact CZ-CD1 4.41Å; F304-V355 HydrophobicContact CE1-CG1 4.16Å; F304-V355 HydrophobicContact CE1-CG2 4.03Å; F304-V355 HydrophobicContact CZ-CG2 3.78Å
305Q88.2Confident86.2Confident97 Ų9767.2 Ų67.245%0.45333%0.333SS..G310 helixtrans-62.3-16.2177.9-174.3166.1-1500113.2K301 H307 G308 V310K301-Q305 VanDerWaalsContact CE-OE1 3.25Å; K301-Q305 WeakPolarHBondContact O-CA 3.46Å; K301-Q305 WeakPolarHBondContact O-CB 3.24Å; K301-Q305 PolarHBondContact O-N 2.69Å; Q305-H307 VanDerWaalsContact C-N 3.26Å; Q305-H307 PolarHBondContact O-N 2.63Å; Q305-G308 WeakPolarHBondContact CA-O 3.36Å; Q305-G308 PolarHBondContact O-N 3.02Å; Q305-V310 HydrophobicContact CB-CG2 4.37Å
306R85.4Confident86.4Confident181 Ų18168.4 Ų68.468%0.68334%0.341SS*.G310 helixtrans-59.1-30.9171.3-65.5179.7175.1-156.4-4114.1L303 F304L303-R306 WeakPolarHBondContact O-CG 3.36Å; F304-R306 PolarHBondContact O-N 2.89Å
307H83.8Confident85.9Confident19 Ų1972.1 Ų72.19%0.08836%0.364CS..G310 helixtrans-96.5-7.6-176.9-51.9-94.7000112.6F304 Q305 S335 K338 A339 D342 Y346F304-H307 PolarHBondContact O-N 2.66Å; F304-H307 VanDerWaalsContact O-N 3.08Å; Q305-H307 VanDerWaalsContact C-N 3.26Å; Q305-H307 PolarHBondContact O-N 2.63Å; H307-S335 WeakPolarHBondContact O-CA 3.16Å; H307-S335 VanDerWaalsContact O-CB 3.31Å; H307-S335 WeakPolarHBondContact O-CB 3.45Å; H307-S335 PolarHBondContact O-OG 3.08Å; H307-K338 HydrophobicContact CB-CB 4.11Å; H307-A339 HydrophobicContact CB-CB 3.95Å; H307-D342 IonicContact CE1-OD2 2.77Å; H307-D342 PolarHBondContact CE1-OD2 2.76Å; H307-D342 VanDerWaalsContact CE1-OD2 3.24Å; H307-D342 IonicContact ND1-OD2 2.72Å; H307-D342 PolarHBondContact ND1-OD2 2.89Å; H307-Y346 PolarHBondContact CD2-OH 2.82Å; H307-Y346 VanDerWaalsContact CD2-OH 3.29Å; H307-Y346 PolarHBondContact CE1-OH 2.85Å; H307-Y346 AromaticContact NE2-CE1 3.41Å; H307-Y346 WeakPolarHBondContact NE2-CE1 3.37Å; H307-Y346 AromaticContact NE2-CZ 3.52Å; H307-Y346 PolarHBondContact NE2-OH 3.34Å
308G86.2Confident84.9Confident23 Ų2369 Ų6924%0.23735%0.347CS..SBendtrans150-178.417500000113Q305 V310 Y330Q305-G308 WeakPolarHBondContact CA-O 3.36Å; Q305-G308 PolarHBondContact O-N 3.02Å; G308-V310 PolarHBondContact O-N 2.79Å; G308-Y330 WeakPolarHBondContact O-CE1 3.44Å
309E90.5Very high83.3Confident130 Ų13073.1 Ų73.161%0.60736%0.363SS*.  trans-69.2122.4-172.8-166.5-168.7161.600113.7Y330 A331E309-Y330 CarbonylContact O-C 3.57Å; E309-Y330 WeakPolarHBondContact O-CA 3.29Å; E309-Y330 WeakPolarHBondContact O-CD1 3.46Å; E309-A331 HydrophobicContact CB-CB 4.18Å; E309-A331 PolarHBondContact O-N 3Å
310V91Very high82.2Confident6 Ų673.1 Ų73.14%0.03638%0.383CS..EExtended strand (participates in β ladder)trans-93.2108.3176.8176.50000110.4K301 F304 Q305 G308 I313 V328 H329 Y330K301-V310 HydrophobicContact CG-CB 4.23Å; K301-V310 HydrophobicContact CG-CG1 4.32Å; F304-V310 HydrophobicContact CB-CG2 3.97Å; Q305-V310 HydrophobicContact CB-CG2 4.37Å; G308-V310 PolarHBondContact O-N 2.79Å; V310-I313 HydrophobicContact CG1-CD1 4Å; V310-I313 HydrophobicContact CG1-CG1 3.69Å; V310-V328 HydrophobicContact CG1-CG1 3.69Å; V310-V328 HydrophobicContact CG2-CG1 3.99Å; V310-H329 CarbonylContact C-O 3.56Å; V310-H329 WeakPolarHBondContact CA-O 3.26Å; V310-Y330 HydrophobicContact CG2-CD1 3.95Å; V310-Y330 HydrophobicContact CG2-CE1 3.65Å
311T89Confident80.9Confident83 Ų8375.4 Ų75.451%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-81.8-32.4-17752.90000113.3H329 A331T311-H329 PolarHBondContact N-O 3.01Å; T311-H329 PolarHBondContact OG1-O 3.22Å; T311-A331 HydrophobicContact CG2-CB 3.82Å
312K87.6Confident79.6Confident127 Ų12777.5 Ų77.555%0.55242%0.417SS*.EExtended strand (participates in β ladder)trans-154.6137.9-176.7-166.7175.8-173.7168.30112.4V314 H329K312-V314 HydrophobicContact CD-CG2 4.19Å; K312-V314 HydrophobicContact CG-CG2 4.04Å; K312-H329 HydrophobicContact CB-CB 4.01Å; K312-H329 PolarHBondContact N-O 3.25Å; K312-H329 PolarHBondContact O-N 3.1Å
313I89.3Confident78.8Confident38 Ų3876.2 Ų76.220%0.19541%0.406CS..EExtended strand (participates in β ladder)trans-119.9132.5169.9-59.9176.1000108.4T297 L300 K301 V310 F327 V328T297-I313 HydrophobicContact CG2-CG2 4.09Å; T297-I313 VanDerWaalsContact O-CD1 3.29Å; T297-I313 WeakPolarHBondContact O-CD1 3.43Å; L300-I313 HydrophobicContact CB-CD1 4.04Å; L300-I313 HydrophobicContact CD1-CG2 4.4Å; K301-I313 HydrophobicContact CB-CD1 3.68Å; K301-I313 HydrophobicContact CG-CD1 4.24Å; V310-I313 HydrophobicContact CG1-CD1 4Å; V310-I313 HydrophobicContact CG1-CG1 3.69Å; I313-F327 WeakPolarHBondContact CA-O 3.49Å; I313-V328 HydrophobicContact CG1-CG1 4.41Å; I313-V328 HydrophobicContact CG1-CG2 4.42Å
314V86.7Confident78.5Confident54 Ų5478.2 Ų78.233%0.32742%0.417SS..EExtended strand (participates in β ladder)trans-129.8112.7178.8-175.50000108.4K312 P316 G326 F327K312-V314 HydrophobicContact CD-CG2 4.19Å; K312-V314 HydrophobicContact CG-CG2 4.04Å; V314-P316 HydrophobicContact CG1-CG 4.36Å; V314-P316 WeakPolarHBondContact O-CD 3.23Å; V314-G326 CarbonylContact O-C 3.6Å; V314-G326 VanDerWaalsContact O-CA 3.31Å; V314-G326 WeakPolarHBondContact O-CA 3.21Å; V314-F327 HydrophobicContact CB-CB 4.45Å; V314-F327 PolarHBondContact N-O 3.22Å; V314-F327 PolarHBondContact O-N 2.97Å
315T84.8Confident78.5Confident36 Ų3680.6 Ų80.622%0.22143%0.427CS..  trans-114.690.2179.4-41.40000109.2I291 R323 F325I291-T315 HydrophobicContact CD1-CG2 4.45Å; T315-R323 HydrophobicContact CG2-CB 4.26Å; T315-F325 WeakPolarHBondContact CG2-O 3.46Å
316P80.6Confident78.6Confident35 Ų3576 Ų7623%0.22741%0.406CS..PPolyproline II helixtrans-65.3143.4-175-21.535.2000111.8V314 G318 F325 F327V314-P316 HydrophobicContact CG1-CG 4.36Å; V314-P316 WeakPolarHBondContact O-CD 3.23Å; P316-G318 PolarHBondContact O-N 3.05Å; P316-F325 HydrophobicContact CB-CE2 4.12Å; P316-F325 HydrophobicContact CB-CZ 4.15Å; P316-F325 HydrophobicContact CG-CE2 3.82Å; P316-F325 HydrophobicContact CG-CZ 4.36Å; P316-F327 HydrophobicContact CG-CD2 4.37Å; P316-F327 HydrophobicContact CG-CE2 4.24Å
317P70.9Confident78.8Confident113 Ų11369.6 Ų69.673%0.73438%0.383SS*.PPolyproline II helixtrans-66.9118.517127.7-32.9000109.8
318G63.8Low79.2Confident11 Ų1168.8 Ų68.811%0.11338%0.38CS..PPolyproline II helixtrans-69161.8-18000000113.1P316 G320 G321 K322P316-G318 PolarHBondContact O-N 3.05Å; G318-G320 PolarHBondContact O-N 2.8Å; G318-G321 PolarHBondContact O-N 2.78Å; G318-K322 WeakPolarHBondContact CA-O 3.02Å; G318-K322 PolarHBondContact N-O 2.87Å
319K53.5Low79.4Confident229 Ų22970.8 Ų70.8100%0.99638%0.383SS*.THydrogen-bonded Turntrans-67.391.4177.1-79.1-174.9175.3178.10110.6
320G61.1Low79.5Confident76 Ų7664.8 Ų64.878%0.78436%0.355SS*.THydrogen-bonded Turntrans127.27.8-175.100000114.5G318 K322G318-G320 PolarHBondContact O-N 2.8Å; G320-K322 VanDerWaalsContact C-N 3.29Å; G320-K322 PolarHBondContact O-N 2.85Å
321G59.7Low79.3Confident52 Ų5266.2 Ų66.254%0.53637%0.367SS..SBendtrans90.9-22.3175.900000114.6G318G318-G321 PolarHBondContact O-N 2.78Å
322K60.9Low79.3Confident136 Ų13667.8 Ų67.859%0.59137%0.369SS*.  trans-63.7145.9176.8-59.2-166173.4-166.20112E293 G318 G320E293-K322 WeakPolarHBondContact OE1-CA 3.29Å; G318-K322 WeakPolarHBondContact CA-O 3.02Å; G318-K322 PolarHBondContact N-O 2.87Å; G320-K322 VanDerWaalsContact C-N 3.29Å; G320-K322 PolarHBondContact O-N 2.85Å
323R68.9Low79.3Confident116 Ų11666.4 Ų66.444%0.43836%0.36SS..  trans-109.761.8177.9-64.3-174.8-67.3-167.61.3110.1E293 T315E293-R323 PolarHBondContact O-NH2 2.81Å; T315-R323 HydrophobicContact CG2-CB 4.26Å
324D79.7Confident79.1Confident81 Ų8166.7 Ų66.743%0.43337%0.366SS..  trans-82.3-8.6-170.457.6-45.8000114.7K289 N290 I291K289-D324 CarbonylContact C-O 3.46Å; N290-D324 PolarHBondContact N-O 2.88Å; I291-D324 PolarHBondContact N-O 3.46Å
325F87.8Confident79.3Confident49 Ų4964.5 Ų64.522%0.21535%0.352CS..EExtended strand (participates in β ladder)trans-149.5162.6175.469-82.7000113Y287 V288 T315 P316 F327Y287-F325 HydrophobicContact CE2-CB 3.82Å; Y287-F325 AromaticContact CE2-CD2 3.75Å; Y287-F325 HydrophobicContact CE2-CD2 3.75Å; Y287-F325 HydrophobicContact CE2-CG 4.04Å; V288-F325 CarbonylContact O-C 3.6Å; V288-F325 WeakPolarHBondContact O-CA 3.03Å; T315-F325 WeakPolarHBondContact CG2-O 3.46Å; P316-F325 HydrophobicContact CB-CE2 4.12Å; P316-F325 HydrophobicContact CB-CZ 4.15Å; P316-F325 HydrophobicContact CG-CE2 3.82Å; P316-F325 HydrophobicContact CG-CZ 4.36Å; F325-F327 HydrophobicContact CD2-CE2 4.24Å; F325-F327 HydrophobicContact CE2-CE2 4.15Å
326G88.9Confident79.4Confident1 Ų162.8 Ų62.81%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-159.5178.3176.300000112.4V288 V314V288-G326 PolarHBondContact N-O 3.03Å; V288-G326 PolarHBondContact O-N 2.83Å; V314-G326 CarbonylContact O-C 3.6Å; V314-G326 VanDerWaalsContact O-CA 3.31Å; V314-G326 WeakPolarHBondContact O-CA 3.21Å
327F91.4Very high79.6Confident46 Ų4664.3 Ų64.320%0.20235%0.348CS..EExtended strand (participates in β ladder)trans-127.8137.9178.9-60.3-89.9000110.2L286 Y287 I313 V314 P316 F325 A358L286-F327 WeakPolarHBondContact O-CA 3.5Å; Y287-F327 HydrophobicContact CD2-CD1 4.23Å; Y287-F327 AromaticContact CD2-CE1 3.66Å; Y287-F327 HydrophobicContact CD2-CE1 3.66Å; Y287-F327 AromaticContact CD2-CZ 3.86Å; Y287-F327 HydrophobicContact CD2-CZ 3.86Å; Y287-F327 HydrophobicContact CE2-CZ 4.33Å; Y287-F327 HydrophobicContact CG-CE1 4.46Å; I313-F327 WeakPolarHBondContact CA-O 3.49Å; V314-F327 HydrophobicContact CB-CB 4.45Å; V314-F327 PolarHBondContact N-O 3.22Å; V314-F327 PolarHBondContact O-N 2.97Å; P316-F327 HydrophobicContact CG-CD2 4.37Å; P316-F327 HydrophobicContact CG-CE2 4.24Å; F325-F327 HydrophobicContact CD2-CE2 4.24Å; F325-F327 HydrophobicContact CE2-CE2 4.15Å; F327-A358 HydrophobicContact CD1-CB 4.13Å; F327-A358 HydrophobicContact CE1-CB 4.4Å
328V90.9Very high80.3Confident2 Ų264.2 Ų64.21%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-125.1116.6-179.9-179.20000108.1A285 L286 V288 F304 V310 I313A285-V328 CarbonylContact C-O 3.47Å; A285-V328 VanDerWaalsContact CA-O 3.29Å; A285-V328 WeakPolarHBondContact CA-O 3.48Å; L286-V328 HydrophobicContact CB-CB 4.4Å; L286-V328 PolarHBondContact N-O 3.44Å; L286-V328 PolarHBondContact O-N 3.3Å; V288-V328 HydrophobicContact CG2-CG2 3.92Å; F304-V328 HydrophobicContact CB-CG1 3.94Å; F304-V328 HydrophobicContact CD2-CG1 4.28Å; F304-V328 HydrophobicContact CD2-CG2 3.83Å; F304-V328 HydrophobicContact CE2-CG2 4.14Å; F304-V328 HydrophobicContact CG-CG1 4.15Å; F304-V328 HydrophobicContact CG-CG2 4.45Å; V310-V328 HydrophobicContact CG1-CG1 3.69Å; V310-V328 HydrophobicContact CG2-CG1 3.99Å; I313-V328 HydrophobicContact CG1-CG1 4.41Å; I313-V328 HydrophobicContact CG1-CG2 4.42Å
329H90.6Very high81.3Confident66 Ų6663.8 Ų63.831%0.30633%0.331SS..EExtended strand (participates in β ladder)trans-99.2133.5179.4-60.6-114.2000109.7V310 T311 K312V310-H329 CarbonylContact C-O 3.56Å; V310-H329 WeakPolarHBondContact CA-O 3.26Å; T311-H329 PolarHBondContact N-O 3.01Å; T311-H329 PolarHBondContact OG1-O 3.22Å; K312-H329 HydrophobicContact CB-CB 4.01Å; K312-H329 PolarHBondContact N-O 3.25Å; K312-H329 PolarHBondContact O-N 3.1Å
330Y91.8Very high82.9Confident4 Ų455.7 Ų55.72%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-100.7160.3171.1-70.9-85.4000111.9K284 L286 F304 G308 E309 V310 E332 A336 A339K284-Y330 PolarHBondContact O-N 3.12Å; L286-Y330 HydrophobicContact CD1-CE2 3.7Å; L286-Y330 HydrophobicContact CG-CE2 3.98Å; F304-Y330 WeakPolarHBondContact CB-OH 3.36Å; F304-Y330 WeakPolarHBondContact O-CE1 3.49Å; F304-Y330 PolarHBondContact O-OH 3.21Å; G308-Y330 WeakPolarHBondContact O-CE1 3.44Å; E309-Y330 CarbonylContact O-C 3.57Å; E309-Y330 WeakPolarHBondContact O-CA 3.29Å; E309-Y330 WeakPolarHBondContact O-CD1 3.46Å; V310-Y330 HydrophobicContact CG2-CD1 3.95Å; V310-Y330 HydrophobicContact CG2-CE1 3.65Å; Y330-E332 VanDerWaalsContact C-N 3.33Å; Y330-E332 VanDerWaalsContact CB-O 3.25Å; Y330-E332 WeakPolarHBondContact CB-O 3.43Å; Y330-A336 HydrophobicContact CD2-CB 3.82Å; Y330-A336 HydrophobicContact CE2-CB 4.33Å; Y330-A339 HydrophobicContact CE2-CB 4.38Å; Y330-A339 WeakPolarHBondContact OH-CB 3.31Å
331A88.6Confident83.8Confident35 Ų3560.8 Ų60.829%0.28930%0.301SS..SBendtrans-65-37.8166.400000111.6K284 E309 T311K284-A331 WeakPolarHBondContact CD-O 3.26Å; K284-A331 WeakPolarHBondContact CE-O 3.47Å; K284-A331 PolarHBondContact NZ-O 2.88Å; E309-A331 HydrophobicContact CB-CB 4.18Å; E309-A331 PolarHBondContact O-N 3Å; T311-A331 HydrophobicContact CG2-CB 3.82Å
332E87Confident84.1Confident117 Ų11761.7 Ų61.755%0.54729%0.294SS..  trans-116.5152.1-178.7-68.4-172.2-152.500113.7Y330 S334Y330-E332 VanDerWaalsContact C-N 3.33Å; Y330-E332 VanDerWaalsContact CB-O 3.25Å; Y330-E332 WeakPolarHBondContact CB-O 3.43Å; E332-S334 VanDerWaalsContact C-N 3.34Å; E332-S334 WeakPolarHBondContact CB-OG 3.36Å; E332-S334 WeakPolarHBondContact OE2-CB 3.41Å; E332-S334 PolarHBondContact OE2-OG 2.68Å
333R87.8Confident83.9Confident97 Ų9762.1 Ų62.137%0.36631%0.308SS..Hα-helixtrans-72.2-28.6169.1-179.9173177.4-123.31.6112.2A281 K284 S335 A336 L337A281-R333 WeakPolarHBondContact O-CD 3.49Å; A281-R333 PolarHBondContact O-NE 3.33Å; A281-R333 PolarHBondContact O-NH1 2.75Å; K284-R333 HydrophobicContact CG-CB 4.36Å; R333-S335 VanDerWaalsContact C-N 3.3Å; R333-S335 PolarHBondContact O-N 3.39Å; R333-A336 PolarHBondContact O-N 3.07Å; R333-L337 HydrophobicContact CG-CD1 4.01Å; R333-L337 HydrophobicContact CG-CG 4.15Å; R333-L337 WeakPolarHBondContact O-CG 3.39Å; R333-L337 PolarHBondContact O-N 2.95Å
334S86.9Confident83.8Confident45 Ų4562.3 Ų62.332%0.31531%0.314SS..Hα-helixtrans-53.4-47.717768.10000111.4E332 L337 K338E332-S334 VanDerWaalsContact C-N 3.34Å; E332-S334 WeakPolarHBondContact CB-OG 3.36Å; E332-S334 WeakPolarHBondContact OE2-CB 3.41Å; E332-S334 PolarHBondContact OE2-OG 2.68Å; S334-L337 PolarHBondContact O-N 2.71Å; S334-K338 WeakPolarHBondContact O-CG 3.39Å; S334-K338 PolarHBondContact O-N 3.41Å
335S89.1Confident83.4Confident7 Ų768.2 Ų68.25%0.04933%0.33CS..Hα-helixtrans-64.8-42.5179.2-43.90000112.5H307 R333 L337 K338 A339H307-S335 WeakPolarHBondContact O-CA 3.16Å; H307-S335 VanDerWaalsContact O-CB 3.31Å; H307-S335 WeakPolarHBondContact O-CB 3.45Å; H307-S335 PolarHBondContact O-OG 3.08Å; R333-S335 VanDerWaalsContact C-N 3.3Å; R333-S335 PolarHBondContact O-N 3.39Å; S335-L337 VanDerWaalsContact C-N 3.33Å; S335-L337 PolarHBondContact O-N 3.15Å; S335-K338 PolarHBondContact O-N 3.05Å; S335-A339 WeakPolarHBondContact O-CB 3.48Å; S335-A339 PolarHBondContact O-N 2.81Å
336A87.1Confident83Confident0 Ų066.6 Ų66.60%032%0.323CS..Hα-helixtrans-64.7-36.3174.700000112.2L286 Y330 R333 V340 L357L286-A336 HydrophobicContact CD2-CB 4.11Å; Y330-A336 HydrophobicContact CD2-CB 3.82Å; Y330-A336 HydrophobicContact CE2-CB 4.33Å; R333-A336 PolarHBondContact O-N 3.07Å; A336-V340 WeakPolarHBondContact O-CG2 3.38Å; A336-V340 PolarHBondContact O-N 3.08Å; A336-L357 HydrophobicContact CB-CD2 4.38Å
337L85.8Confident82.5Confident68 Ų6872.1 Ų72.136%0.35635%0.348SS..Hα-helixtrans-72.6-39.7175.1-69.9173.9000112.2R333 S334 S335 V340 K341 L357R333-L337 HydrophobicContact CG-CD1 4.01Å; R333-L337 HydrophobicContact CG-CG 4.15Å; R333-L337 WeakPolarHBondContact O-CG 3.39Å; R333-L337 PolarHBondContact O-N 2.95Å; S334-L337 PolarHBondContact O-N 2.71Å; S335-L337 VanDerWaalsContact C-N 3.33Å; S335-L337 PolarHBondContact O-N 3.15Å; L337-V340 PolarHBondContact O-N 2.69Å; L337-K341 WeakPolarHBondContact O-CB 3.43Å; L337-K341 PolarHBondContact O-N 2.72Å; L337-L357 HydrophobicContact CD2-CD1 4.2Å
338K85.7Confident81.8Confident111 Ų11170.4 Ų70.448%0.48334%0.342SS..Hα-helixtrans-55.6-56.1172.4-74169.3-178.91720110.5H307 S334 S335 V340 K341 D342H307-K338 HydrophobicContact CB-CB 4.11Å; S334-K338 WeakPolarHBondContact O-CG 3.39Å; S334-K338 PolarHBondContact O-N 3.41Å; S335-K338 PolarHBondContact O-N 3.05Å; K338-V340 PolarHBondContact O-N 2.99Å; K338-K341 PolarHBondContact O-N 2.59Å; K338-D342 WeakPolarHBondContact O-CB 3.5Å; K338-D342 PolarHBondContact O-N 3.11Å
339A85.3Confident80.8Confident1 Ų175.5 Ų75.51%0.00837%0.369CS..Hα-helixtrans-67.32-179.100000116.3L286 F304 H307 Y330 S335 Y346L286-A339 HydrophobicContact CD1-CB 3.8Å; F304-A339 HydrophobicContact CD1-CB 4.42Å; H307-A339 HydrophobicContact CB-CB 3.95Å; Y330-A339 HydrophobicContact CE2-CB 4.38Å; Y330-A339 WeakPolarHBondContact OH-CB 3.31Å; S335-A339 WeakPolarHBondContact O-CB 3.48Å; S335-A339 PolarHBondContact O-N 2.81Å; A339-Y346 WeakPolarHBondContact CA-OH 3.19Å; A339-Y346 WeakPolarHBondContact CB-OH 3.45Å
340V85.5Confident80.1Confident60 Ų6075.4 Ų75.436%0.36439%0.386SS..Hα-helixtrans-115.9-24.5170.21730000111.8L286 A336 L337 K338 V355 L357L286-V340 HydrophobicContact CD2-CG2 3.44Å; L286-V340 VanDerWaalsContact CD2-CG2 3.44Å; A336-V340 WeakPolarHBondContact O-CG2 3.38Å; A336-V340 PolarHBondContact O-N 3.08Å; L337-V340 PolarHBondContact O-N 2.69Å; K338-V340 PolarHBondContact O-N 2.99Å; V340-V355 HydrophobicContact CG2-CG1 4.22Å; V340-L357 HydrophobicContact CG2-CG 4.4Å
341K79.7Confident79.4Confident182 Ų18279.2 Ų79.279%0.79140%0.404SS*.Hα-helixtrans-89.5-31.2178.3-171.5178.3179.2-1760112.4L337 K338 T343L337-K341 WeakPolarHBondContact O-CB 3.43Å; L337-K341 PolarHBondContact O-N 2.72Å; K338-K341 PolarHBondContact O-N 2.59Å; K341-T343 PolarHBondContact O-N 2.9Å
342D66.3Low79.2Confident72 Ų7280.4 Ų80.439%0.38541%0.409SS..SBendtrans-62.4115.4169.7-73.5-39.9000108.5H307 K338 E344H307-D342 IonicContact CE1-OD2 2.77Å; H307-D342 PolarHBondContact CE1-OD2 2.76Å; H307-D342 VanDerWaalsContact CE1-OD2 3.24Å; H307-D342 IonicContact ND1-OD2 2.72Å; H307-D342 PolarHBondContact ND1-OD2 2.89Å; K338-D342 WeakPolarHBondContact O-CB 3.5Å; K338-D342 PolarHBondContact O-N 3.11Å; D342-E344 PolarHBondContact O-N 2.82Å
343T58.2Low79.1Confident145 Ų14575.6 Ų75.689%0.8939%0.387SS*.  trans-74.917.7179.350.10000113.2K341 R345K341-T343 PolarHBondContact O-N 2.9Å; T343-R345 PolarHBondContact O-N 2.86Å
344E64.9Low79Confident119 Ų11975.2 Ų75.256%0.55639%0.389SS*.  trans-66.3118.7171.4-67.1-153.1141.600109.6D342 Y346D342-E344 PolarHBondContact O-N 2.82Å; E344-Y346 PolarHBondContact O-N 2.93Å; E344-Y346 VanDerWaalsContact O-N 3.09Å
345R72.1Confident79.1Confident206 Ų20674.4 Ų74.478%0.77738%0.382SS*.  trans-75.2100.1168.1-67.8-177.3-179.4179.31.3108T343 E347T343-R345 PolarHBondContact O-N 2.86Å; R345-E347 PolarHBondContact O-N 2.82Å
346Y78.6Confident79Confident15 Ų1577.4 Ų77.46%0.05940%0.4CS..  trans-57.9106.4169.4-55.9-80.6000109.3F304 H307 A339 E344 L353 V355F304-Y346 HydrophobicContact CD1-CE1 4.41Å; F304-Y346 HydrophobicContact CE1-CD1 4.36Å; F304-Y346 HydrophobicContact CE1-CD2 4.12Å; F304-Y346 HydrophobicContact CE1-CE1 4.17Å; F304-Y346 AromaticContact CE1-CE2 3.9Å; F304-Y346 HydrophobicContact CE1-CE2 3.9Å; F304-Y346 HydrophobicContact CE1-CG 4.33Å; F304-Y346 AromaticContact CE1-CZ 3.92Å; F304-Y346 HydrophobicContact CZ-CD2 4.42Å; F304-Y346 HydrophobicContact CZ-CG 4.45Å; H307-Y346 PolarHBondContact CD2-OH 2.82Å; H307-Y346 VanDerWaalsContact CD2-OH 3.29Å; H307-Y346 PolarHBondContact CE1-OH 2.85Å; H307-Y346 AromaticContact NE2-CE1 3.41Å; H307-Y346 WeakPolarHBondContact NE2-CE1 3.37Å; H307-Y346 AromaticContact NE2-CZ 3.52Å; H307-Y346 PolarHBondContact NE2-OH 3.34Å; A339-Y346 WeakPolarHBondContact CA-OH 3.19Å; A339-Y346 WeakPolarHBondContact CB-OH 3.45Å; E344-Y346 PolarHBondContact O-N 2.93Å; E344-Y346 VanDerWaalsContact O-N 3.09Å; Y346-L353 WeakPolarHBondContact O-CB 3.26Å; Y346-L353 WeakPolarHBondContact O-CG 3.26Å; Y346-L353 PolarHBondContact O-N 2.94Å; Y346-V355 HydrophobicContact CD2-CB 4.43Å; Y346-V355 HydrophobicContact CD2-CG2 3.62Å; Y346-V355 HydrophobicContact CE2-CB 4.46Å; Y346-V355 HydrophobicContact CE2-CG2 4.04Å
347E80.1Confident79Confident116 Ų11680 Ų8054%0.54241%0.413SS..EExtended strand (participates in β ladder)trans-107125.7177.3-75-173.8-173.400110.3R345 Q351 P352R345-E347 PolarHBondContact O-N 2.82Å; E347-Q351 WeakPolarHBondContact CA-O 3.47Å; E347-P352 HydrophobicContact CG-CB 4.05Å
348V74.8Confident79.1Confident11 Ų1177.1 Ų77.17%0.06740%0.4CS..EExtended strand (participates in β ladder)trans-124.1123.7-179.4-171.50000108.7P292 T295 L303 G350 Q351 L353P292-V348 HydrophobicContact CG-CB 4.07Å; P292-V348 HydrophobicContact CG-CG1 4.2Å; P292-V348 VanDerWaalsContact CG-O 3.23Å; P292-V348 WeakPolarHBondContact CG-O 3.42Å; T295-V348 HydrophobicContact CG2-CG1 3.8Å; L303-V348 HydrophobicContact CD1-CG2 3.41Å; L303-V348 VanDerWaalsContact CD1-CG2 3.41Å; V348-G350 PolarHBondContact O-N 3.35Å; V348-G350 VanDerWaalsContact O-N 3.1Å; V348-Q351 PolarHBondContact N-O 3.25Å; V348-Q351 PolarHBondContact O-N 3.34Å; V348-L353 HydrophobicContact CG2-CD1 3.73Å; V348-L353 HydrophobicContact CG2-CD2 4.34Å; V348-L353 HydrophobicContact CG2-CG 4.03Å
349N72Confident78.9Confident108 Ų10879.7 Ų79.758%0.57841%0.411SS*.THydrogen-bonded Turntrans51.729.8-174-59.8-58000113.7P292P292-N349 HydrophobicContact CG-CB 4.36Å
350G74.7Confident78.2Confident65 Ų6581.8 Ų81.867%0.6742%0.424SS*.THydrogen-bonded Turntrans77.515.1-176.700000115.2V348V348-G350 PolarHBondContact O-N 3.35Å; V348-G350 VanDerWaalsContact O-N 3.1Å
351Q77.3Confident77.2Confident83 Ų8386.6 Ų86.639%0.38844%0.443SS..EExtended strand (participates in β ladder)trans-110.7127.7169.6-52.1-163-9100110.1P292 E347 V348P292-Q351 HydrophobicContact CG-CB 4.16Å; P292-Q351 HydrophobicContact CG-CG 4.28Å; E347-Q351 WeakPolarHBondContact CA-O 3.47Å; V348-Q351 PolarHBondContact N-O 3.25Å; V348-Q351 PolarHBondContact O-N 3.34Å
352P84.9Confident76.1Confident61 Ų6182 Ų8240%0.39644%0.439SS..EExtended strand (participates in β ladder)trans-73.5130.3174.629.5-33.8000110.6N290 E347N290-P352 PolarHBondContact ND2-O 3.42Å; E347-P352 HydrophobicContact CG-CB 4.05Å
353L85.1Confident75.2Confident15 Ų1586.9 Ų86.98%0.07946%0.46CS..  trans-79.1145.8171.9-55.2-177.5000110.3V288 K289 N290 I291 L300 F304 Y346 V348 V355V288-L353 HydrophobicContact CG1-CB 4.18Å; V288-L353 HydrophobicContact CG1-CD1 3.86Å; V288-L353 HydrophobicContact CG1-CG 4.42Å; K289-L353 WeakPolarHBondContact O-CA 3.32Å; N290-L353 WeakPolarHBondContact O-CD2 3.23Å; I291-L353 HydrophobicContact CB-CD2 4.48Å; I291-L353 HydrophobicContact CG1-CD2 4.18Å; L300-L353 HydrophobicContact CD2-CD1 4.31Å; F304-L353 HydrophobicContact CE2-CD1 4.43Å; F304-L353 HydrophobicContact CZ-CD1 4.41Å; Y346-L353 WeakPolarHBondContact O-CB 3.26Å; Y346-L353 WeakPolarHBondContact O-CG 3.26Å; Y346-L353 PolarHBondContact O-N 2.94Å; V348-L353 HydrophobicContact CG2-CD1 3.73Å; V348-L353 HydrophobicContact CG2-CD2 4.34Å; V348-L353 HydrophobicContact CG2-CG 4.03Å; L353-V355 HydrophobicContact CB-CG2 4.25Å
354E85.5Confident74.4Confident89 Ų8991.3 Ų91.342%0.41646%0.46SS..EExtended strand (participates in β ladder)trans-102.8108.7172.6179.6-178.6134.900108.1V288 K289V288-E354 WeakPolarHBondContact CA-O 3.42Å; K289-E354 HydrophobicContact CB-CB 4.09Å; K289-E354 HydrophobicContact CG-CB 4.33Å; K289-E354 PolarHBondContact N-O 3.27Å; K289-E354 IonicContact NZ-OE1 2.59Å; K289-E354 PolarHBondContact NZ-OE1 3.28Å; K289-E354 IonicContact NZ-OE2 3.02Å; K289-E354 PolarHBondContact NZ-OE2 2.86Å; K289-E354 PolarHBondContact O-N 3.1Å
355V87.9Confident73.1Confident28 Ų2894.7 Ų94.717%0.1747%0.473CS..EExtended strand (participates in β ladder)trans-110.7126.6-173.3-176.80000109.8L286 V288 F304 V340 Y346 L353L286-V355 HydrophobicContact CB-CG1 4.42Å; L286-V355 HydrophobicContact CD1-CG1 3.72Å; L286-V355 HydrophobicContact CG-CG1 4.47Å; V288-V355 HydrophobicContact CG1-CG2 4.37Å; V288-V355 HydrophobicContact CG2-CG2 4.42Å; F304-V355 HydrophobicContact CE1-CG1 4.16Å; F304-V355 HydrophobicContact CE1-CG2 4.03Å; F304-V355 HydrophobicContact CZ-CG2 3.78Å; V340-V355 HydrophobicContact CG2-CG1 4.22Å; Y346-V355 HydrophobicContact CD2-CB 4.43Å; Y346-V355 HydrophobicContact CD2-CG2 3.62Å; Y346-V355 HydrophobicContact CE2-CB 4.46Å; Y346-V355 HydrophobicContact CE2-CG2 4.04Å; L353-V355 HydrophobicContact CB-CG2 4.25Å
356V87.4Confident71.4Confident71 Ų7193.2 Ų93.243%0.4347%0.474SS..EExtended strand (participates in β ladder)trans-143.4153.5-178.2-169.30000108.3L286 Y287 A358L286-V356 CarbonylContact C-O 3.48Å; L286-V356 WeakPolarHBondContact CA-O 3.34Å; Y287-V356 PolarHBondContact N-O 3.33Å; Y287-V356 PolarHBondContact O-N 2.95Å; V356-A358 PolarHBondContact O-N 2.93Å
357L88.3Confident69.6Low53 Ų5397.7 Ų97.728%0.27750%0.499SS..EExtended strand (participates in β ladder)trans-54.1133.2166.7-76.4167.9000110.3V283 L286 A336 L337 V340V283-L357 HydrophobicContact CG1-CB 4.4Å; V283-L357 HydrophobicContact CG1-CD2 3.92Å; L286-L357 HydrophobicContact CD2-CD2 4.27Å; A336-L357 HydrophobicContact CB-CD2 4.38Å; L337-L357 HydrophobicContact CD2-CD1 4.2Å; V340-L357 HydrophobicContact CG2-CG 4.4Å
358A86.4Confident67.9Low9 Ų996.6 Ų96.67%0.07450%0.502CS..PPolyproline II helixtrans-63.7139.2175.700000109.7V283 A285 F327 V356V283-A358 HydrophobicContact CG1-CB 4.37Å; V283-A358 WeakPolarHBondContact CG1-O 3.36Å; V283-A358 WeakPolarHBondContact CG2-O 3.1Å; A285-A358 HydrophobicContact CB-CB 3.91Å; A285-A358 VanDerWaalsContact O-CB 3.23Å; A285-A358 WeakPolarHBondContact O-CB 3.14Å; A285-A358 PolarHBondContact O-N 3.47Å; F327-A358 HydrophobicContact CD1-CB 4.13Å; F327-A358 HydrophobicContact CE1-CB 4.4Å; V356-A358 PolarHBondContact O-N 2.93Å
359K82.2Confident66.4Low165 Ų165100.4 Ų100.472%0.71753%0.53SS*.PPolyproline II helixtrans-62.1127.6170.2-66.9177.8-178.4176.20107.8Q361K359-Q361 PolarHBondContact O-N 3.35Å; K359-Q361 VanDerWaalsContact O-N 3.08Å
360P70.4Confident64.8Low44 Ų44100.8 Ų100.829%0.28654%0.541SS..PPolyproline II helixtrans-58.3121.3177.623.7-32.4000108.1A279 A280 V283 A362A279-P360 HydrophobicContact CB-CB 3.86Å; A279-P360 HydrophobicContact CB-CG 4.05Å; A280-P360 HydrophobicContact CB-CG 4.5Å; V283-P360 HydrophobicContact CG2-CB 3.93Å; V283-P360 HydrophobicContact CG2-CG 4.33Å; P360-A362 PolarHBondContact O-N 2.77Å; P360-A362 VanDerWaalsContact O-N 3.11Å
361Q65.5Low63.1Low161 Ų161107.4 Ų107.475%0.75255%0.547SS*.  trans-71.9106.9166.8-64.1-162.82300105.8K359 E363K359-Q361 PolarHBondContact O-N 3.35Å; K359-Q361 VanDerWaalsContact O-N 3.08Å; Q361-E363 PolarHBondContact O-N 3.03Å
362A56.6Low61.3Low87 Ų87108.8 Ų108.872%0.71957%0.566SS**  trans-51118.8166.300000107P360 R364P360-A362 PolarHBondContact O-N 2.77Å; P360-A362 VanDerWaalsContact O-N 3.11Å; A362-R364 PolarHBondContact O-N 2.78Å
363E47.6Very low58.9Low174 Ų174117.6 Ų117.681%0.81359%0.593SS**  trans-57.3116-167.1-67.5-169.9154.400109.6Q361 K365Q361-E363 PolarHBondContact O-N 3.03Å; E363-K365 PolarHBondContact O-N 3.35Å
364R41.3Very low56.6Low237 Ų237119.9 Ų119.989%0.89462%0.62SS**  trans-7177.8166.4-70.7-74.4-168.2134.13106.3A362 H366A362-R364 PolarHBondContact O-N 2.78Å; R364-H366 PolarHBondContact O-N 3.07Å
365K37Very low54.3Low190 Ų190120.4 Ų120.483%0.82664%0.64SS**  trans-41.8119.9165.9-85.9-162.5172.2-167.40106.2E363 D367E363-K365 PolarHBondContact O-N 3.35Å; K365-D367 PolarHBondContact O-N 2.82Å
366H36.7Very low52.3Low175 Ų175123.6 Ų123.681%0.8167%0.669SS**  trans-77.977.1-168.3-175.617.8000109.5R364 P368R364-H366 PolarHBondContact O-N 3.07Å; H366-P368 WeakPolarHBondContact O-CD 3.35Å; H366-P368 VanDerWaalsContact O-N 3.16Å
367D40.3Very low50.2Low109 Ų109126.4 Ų126.458%0.58369%0.689SS**  trans-55.2115.2167.9-179.2-9.1000108.4K365 S369K365-D367 PolarHBondContact O-N 2.82Å; D367-S369 PolarHBondContact O-N 2.77Å; D367-S369 VanDerWaalsContact O-N 3.16Å; D367-S369 WeakPolarHBondContact OD1-CB 3.04Å; D367-S369 PolarHBondContact OD1-N 3.43Å
368P45.4Very low48.3Very low93 Ų93130.4 Ų130.460%0.60472%0.716SS**THydrogen-bonded Turntrans-68.3-8.4-179.4-20.234.6000113.4H366 S370 Y371H366-P368 WeakPolarHBondContact O-CD 3.35Å; H366-P368 VanDerWaalsContact O-N 3.16Å; P368-S370 VanDerWaalsContact C-N 3.25Å; P368-S370 PolarHBondContact O-N 2.91Å; P368-S370 VanDerWaalsContact O-N 3.16Å; P368-Y371 WeakPolarHBondContact O-CD2 3.35Å; P368-Y371 WeakPolarHBondContact O-CE2 3.4Å
369S42.3Very low46Very low92 Ų92136 Ų13664%0.64375%0.752SS**THydrogen-bonded Turntrans-70.3-8.1-169.9-170.10000115.6D367 Y371D367-S369 PolarHBondContact O-N 2.77Å; D367-S369 VanDerWaalsContact O-N 3.16Å; D367-S369 WeakPolarHBondContact OD1-CB 3.04Å; D367-S369 PolarHBondContact OD1-N 3.43Å; S369-Y371 PolarHBondContact O-N 3.37Å
370S37.8Very low44.2Very low116 Ų116132.6 Ų132.681%0.81175%0.754SS**  trans-79.445.6-172.5-1740000115P368P368-S370 VanDerWaalsContact C-N 3.25Å; P368-S370 PolarHBondContact O-N 2.91Å; P368-S370 VanDerWaalsContact O-N 3.16Å
371Y40.1Very low43.1Very low203 Ų203135 Ų13580%0.79677%0.769SS**  trans-75.7137.1174.8-74.3-77.7000112.9P368 S369P368-Y371 WeakPolarHBondContact O-CD2 3.35Å; P368-Y371 WeakPolarHBondContact O-CE2 3.4Å; S369-Y371 PolarHBondContact O-N 3.37Å
372S38.9Very low42Very low113 Ų113136.4 Ų136.479%0.7977%0.773SS**  trans-64.2140.7-170.7-168.80000114.2G374S372-G374 PolarHBondContact O-N 2.95Å
373Y34.8Very low41.2Very low245 Ų245139.1 Ų139.196%0.96178%0.781SS**  trans-63.6101.9168-97.2-104.2000110.2
374G36.5Very low40.9Very low63 Ų63139.1 Ų139.165%0.64978%0.78SS**  trans-146.240.2-159.500000118.7S372S372-G374 PolarHBondContact O-N 2.95Å
375A37.7Very low41.5Very low101 Ų101133.1 Ų133.184%0.83577%0.772SS**  trans71.5155.716200000120.9
376A45.1Very low41.5Very low95 Ų95129.8 Ų129.879%0.78577%0.768SS**  trans67.3114165.100000119.8
377P42.7Very low41.9Very low129 Ų129130.9 Ų130.984%0.83877%0.77SS**  trans-98.9136.7167.835.8-29.8000113.2
378T50Low42.2Very low138 Ų138129 Ų12985%0.84778%0.777SS**  trans-139.6150.2165.2470000110.8
379P37.6Very low41.9Very low127 Ų127128.3 Ų128.383%0.82579%0.787SS**  trans-90.3155.4-169.435.1-35.8000114.7
380A44.1Very low41.8Very low92 Ų92133.6 Ų133.676%0.7680%0.799SS**  trans-68.2172.417100000112.8
381P47.1Very low42Very low94 Ų94131.9 Ų131.961%0.6179%0.791SS**  -158165.392.141.7-23000119
382F42.3Very low41.9Very low191 Ų191127 Ų12784%0.83879%0.793SS**  trans70.8156.7163.3-42.7-51.9000116.6
383V40Very low41.8Very low145 Ų145126.1 Ų126.188%0.87979%0.792SS**  cis-141.9165.321-149.10000112.9
384H41.5Very low42.5Very low174 Ų174120.2 Ų120.281%0.80678%0.784SS**  trans-118.1-172.4-178-107-48.2000111.3
385P53.2Low42.6Very low110 Ų110128.4 Ų128.471%0.71480%0.797SS**  cis-115.7-128.32.721.75.8000112
386T38.5Very low42.5Very low120 Ų120126.5 Ų126.574%0.73679%0.787SS**  cis-165.4168.52.9-165.20000113.9
387F43.7Very low42.3Very low198 Ų198126.5 Ų126.587%0.86879%0.787SS**  trans63.5110.5163.6-137.2-89.5000118.8
388G46.8Very low42.2Very low69 Ų69129.3 Ų129.371%0.71179%0.791SS**  cis120.5139.1000000112.9
389G39.3Very low41.5Very low79 Ų79126 Ų12681%0.81479%0.785SS**  cis-130.5-117.92.500000112.6
390F41.1Very low41.6Very low204 Ų204125.3 Ų125.390%0.89579%0.79SS**  cis-168.5137.6-2.5-171-91.2000112.4
391A41.9Very low41.2Very low79 Ų79125 Ų12565%0.65380%0.795SS**  trans60.6134.2173.600000119.2
392A37.1Very low40.5Very low101 Ų101129.3 Ų129.384%0.83581%0.812SS**  cis92.3142.527.300000114.5
393A37.8Very low40.3Very low94 Ų94123.5 Ų123.578%0.77781%0.806SS**  cis-165.4172.8-3.900000111.9
394P47.9Very low40.1Very low121 Ų121124.6 Ų124.679%0.78681%0.805SS**  trans-115.6175.9-164.242.9-35.3000117.9
395Y38.4Very low39.8Very low236 Ų236121.3 Ų121.393%0.92581%0.808SS**  trans-155.3163167.2-111.8-98.6000109.5
396G36.1Very low39.1Very low60 Ų60119.2 Ų119.262%0.61981%0.806SS**  cis148.5144.9-1200000114.4
397A40.7Very low39.1Very low96 Ų96119.1 Ų119.179%0.79381%0.811SS**  trans72.3157.3167.100000118.8
398M40.7Very low38.8Very low187 Ų187120.3 Ų120.392%0.92182%0.816SS**  cis-168.7152.6-14.3-106.6-80.6-170.200111.7
399G36.8Very low38.5Very low70 Ų70121.9 Ų121.972%0.72282%0.816SS**  trans81.4130.5155.700000117.6
400A38.1Very low38.8Very low112 Ų112126.6 Ų126.693%0.92682%0.817SS**  cis95.4110.627.400000115.3
401G36.9Very low39Very low85 Ų85121.5 Ų121.588%0.87680%0.804SS**  trans-179.3129.6173.100000112.2
402L32.2Very low39Very low185 Ų185125 Ų12597%0.96981%0.809SS**  trans-123.9132.1-170.3-176.978.6000110.7
403G37.5Very low39.4Very low68 Ų68127.3 Ų127.370%0.70181%0.805SS**  trans-178.289.9177.500000120
404I36.2Very low39.7Very low169 Ų169132.4 Ų132.487%0.86781%0.806SS**  trans59.293.3140.5-46.9177.5000119.7
405A36Very low39.3Very low104 Ų104129.8 Ų129.886%0.8680%0.801SS**  40.3120.1129.500000122.4
406G36.8Very low39.6Very low66 Ų66130.3 Ų130.368%0.6880%0.802SS**  trans-179.2127.215600000114.1
407S39.2Very low40.4Very low118 Ų118130.5 Ų130.583%0.82580%0.803SS**  trans58.1136.3168.938.40000119.6S409S407-S409 PolarHBondContact O-N 3.13Å
408F37.1Very low41.1Very low223 Ų223131 Ų13198%0.97881%0.807SS**  trans-79.1112.4171.3-75.6-104.2000110.8
409S41.9Very low41.9Very low102 Ų102127.4 Ų127.471%0.71379%0.789SS**  trans-144.9121.3161.557.20000109.1S407 P411S407-S409 PolarHBondContact O-N 3.13Å; S409-P411 WeakPolarHBondContact O-CD 3.16Å
410Q44.3Very low43.1Very low179 Ų179127.6 Ų127.684%0.83678%0.778SS**  trans-78.9117.6171.5-74.7-72-1000108.7M412Q410-M412 PolarHBondContact O-N 2.97Å
411P44.9Very low44.4Very low96 Ų96129.6 Ų129.662%0.62378%0.779SS**  trans-71.6114.9167.929.7-31.1000108.7S409 I413S409-P411 WeakPolarHBondContact O-CD 3.16Å; P411-I413 VanDerWaalsContact C-N 3.32Å; P411-I413 HydrophobicContact CB-CG1 4.36Å; P411-I413 PolarHBondContact O-N 2.86Å
412M42.7Very low45.9Very low152 Ų152128 Ų12875%0.74976%0.762SS**  trans-69.289.4169.3-73.8-90.3-9200108.8Q410 Y414Q410-M412 PolarHBondContact O-N 2.97Å; M412-Y414 VanDerWaalsContact C-N 3.33Å; M412-Y414 HydrophobicContact CB-CD2 4.28Å; M412-Y414 HydrophobicContact CE-CE2 3.77Å; M412-Y414 PolarHBondContact O-N 2.78Å; M412-Y414 HydrophobicContact SD-CE2 4.23Å
413I46.2Very low47.8Very low150 Ų150122.1 Ų122.177%0.76973%0.731SS**  trans-78.486.1176.5-57.9179.3000108.8P411P411-I413 VanDerWaalsContact C-N 3.32Å; P411-I413 HydrophobicContact CB-CG1 4.36Å; P411-I413 PolarHBondContact O-N 2.86Å
414Y42.5Very low49.5Very low201 Ų201125.4 Ų125.479%0.78873%0.728SS**  trans-87.5124.5160.9-83.8-106000108.9M412M412-Y414 VanDerWaalsContact C-N 3.33Å; M412-Y414 HydrophobicContact CB-CD2 4.28Å; M412-Y414 HydrophobicContact CE-CE2 3.77Å; M412-Y414 PolarHBondContact O-N 2.78Å; M412-Y414 HydrophobicContact SD-CE2 4.23Å
415G41Very low51.5Low66 Ų66121.4 Ų121.468%0.6871%0.706SS**SBendtrans155148.1172.700000113.8G417G415-G417 PolarHBondContact O-N 2.91Å
416R44.7Very low53.6Low248 Ų248118.2 Ų118.294%0.93668%0.676SS**  trans-60.6118.4169.4-79.1-168.3-178.2-14110.7109
417G51.8Low56Low63 Ų63119 Ų11965%0.64967%0.669SS**  trans-157.4147.4175.200000111.1G415 M419G415-G417 PolarHBondContact O-N 2.91Å; G417-M419 PolarHBondContact O-N 2.87Å
418A56.5Low58.1Low107 Ų107118.2 Ų118.288%0.88465%0.654SS**PPolyproline II helixtrans-62.8126.5179.600000110.5
419M57.1Low60.5Low111 Ų111113.6 Ų113.655%0.54764%0.639SS.*PPolyproline II helixtrans-65.4132.8-174-66.7-136.9-65.200111.7G417 T421 M425 L439G417-M419 PolarHBondContact O-N 2.87Å; M419-T421 PolarHBondContact O-N 3.16Å; M419-M425 HydrophobicContact CE-CG 4.1Å; M419-L439 HydrophobicContact CE-CD1 4.24Å; M419-L439 HydrophobicContact SD-CD1 3.82Å; M419-L439 HydrophobicContact SD-CD2 4.5Å
420P61.4Low62.6Low75 Ų75111.9 Ų111.949%0.48762%0.621SS.*PPolyproline II helixtrans-59.5130.2178.2-25.234.7000112.6G422 M423P420-G422 PolarHBondContact O-N 3.16Å; P420-G422 VanDerWaalsContact O-N 3.17Å; P420-M423 HydrophobicContact CB-CE 4.06Å; P420-M423 HydrophobicContact CB-CG 4.4Å; P420-M423 HydrophobicContact CB-SD 4.1Å; P420-M423 HydrophobicContact CG-CE 4.19Å; P420-M423 HydrophobicContact CG-SD 4.07Å; P420-M423 PolarHBondContact O-N 2.85Å
421T64.6Low64.2Low153 Ų153110.2 Ų110.294%0.93963%0.626SS**THydrogen-bonded Turntrans-55.2119-174.9-42.50000112M419M419-T421 PolarHBondContact O-N 3.16Å
422G69.3Low66.2Low51 Ų51110.1 Ų110.153%0.52662%0.62SS.*THydrogen-bonded Turntrans101.7-3.3177.400000115.6P420 P442P420-G422 PolarHBondContact O-N 3.16Å; P420-G422 VanDerWaalsContact O-N 3.17Å; G422-P442 WeakPolarHBondContact O-CB 3.4Å; G422-P442 WeakPolarHBondContact O-CD 3.43Å; G422-P442 WeakPolarHBondContact O-CG 3.37Å
423M71.6Confident68.1Low62 Ų62105.2 Ų105.231%0.30561%0.609SS.*  trans-81.3136.1166.3-62-173.1-179.200110.6P420 L439 Q440P420-M423 HydrophobicContact CB-CE 4.06Å; P420-M423 HydrophobicContact CB-CG 4.4Å; P420-M423 HydrophobicContact CB-SD 4.1Å; P420-M423 HydrophobicContact CG-CE 4.19Å; P420-M423 HydrophobicContact CG-SD 4.07Å; P420-M423 PolarHBondContact O-N 2.85Å; M423-L439 HydrophobicContact CB-CD1 3.62Å; M423-L439 HydrophobicContact CB-CD2 4.3Å; M423-L439 HydrophobicContact CB-CG 3.85Å; M423-L439 HydrophobicContact SD-CD2 3.68Å; M423-L439 HydrophobicContact SD-CG 4.02Å; M423-Q440 WeakPolarHBondContact CA-O 3.47Å
424Q72.9Confident70.1Confident137 Ų137106.8 Ų106.864%0.6461%0.605SS**EExtended strand (participates in β ladder)trans-117.9133.1-179-177.8172.8-10.700111Q440Q424-Q440 PolarHBondContact N-O 3.42Å; Q424-Q440 PolarHBondContact O-N 3.01Å
425M79.7Confident72.1Confident85 Ų85101.1 Ų101.142%0.41959%0.591SS.*EExtended strand (participates in β ladder)trans-76.1125.2171-73.8-70.6-102.700110.2M419 Y437 L439M419-M425 HydrophobicContact CE-CG 4.1Å; M425-Y437 HydrophobicContact CB-CD1 4.45Å; M425-L439 HydrophobicContact CG-CD1 3.95Å; M425-L439 HydrophobicContact SD-CB 3.85Å; M425-L439 HydrophobicContact SD-CD1 3.84Å; M425-L439 HydrophobicContact SD-CG 4.45Å
426V79.8Confident74.1Confident38 Ų3899 Ų9923%0.2357%0.569CS.*EExtended strand (participates in β ladder)trans-118.8129.2-179.9-179.10000109.6V438 Q440V426-V438 PolarHBondContact N-O 3.38Å; V426-V438 PolarHBondContact O-N 2.9Å; V426-Q440 HydrophobicContact CG2-CB 4.06Å
427P86Confident76.1Confident81 Ų8194.3 Ų94.353%0.52655%0.553SS.*EExtended strand (participates in β ladder)trans-70.9134.5175.928.7-33.9000111.3V435 Y437P427-V435 HydrophobicContact CB-CG1 3.55Å; P427-Y437 HydrophobicContact CB-CD1 4.22Å; P427-Y437 HydrophobicContact CB-CE1 3.93Å; P427-Y437 HydrophobicContact CG-CE1 4.48Å
428M84.7Confident77.6Confident102 Ų10294.9 Ų94.950%0.50254%0.543SS..EExtended strand (participates in β ladder)trans-129.4136177.1-176.5176.670.700109L430 G436 V438M428-L430 HydrophobicContact CE-CD1 4.4Å; M428-G436 PolarHBondContact N-O 2.91Å; M428-G436 PolarHBondContact O-N 2.82Å; M428-V438 HydrophobicContact CB-CG2 4.36Å; M428-V438 HydrophobicContact CE-CG2 3.77Å; M428-V438 HydrophobicContact SD-CG2 4.35Å
429L86Confident78.7Confident126 Ų12693 Ų9366%0.6652%0.518SS*.EExtended strand (participates in β ladder)trans-81.8121.7176.4-160.674.2000109.7V435L429-V435 HydrophobicContact CD1-CG2 4.2Å
430L86Confident79.4Confident66 Ų6690.5 Ų90.535%0.34651%0.505SS..  trans-79.7162.3176-87.468000111.1M428 D432 G433 R434M428-L430 HydrophobicContact CE-CD1 4.4Å; L430-D432 WeakPolarHBondContact CB-OD1 3.16Å; L430-D432 PolarHBondContact O-N 3.17Å; L430-D432 VanDerWaalsContact O-N 3.13Å; L430-G433 PolarHBondContact O-N 3.21Å; L430-R434 PolarHBondContact N-O 3.22Å
431P79.5Confident79.7Confident145 Ų14592.8 Ų92.894%0.94251%0.509SS*.THydrogen-bonded Turntrans-61.5-17.6178.2-24.235.4000115.2G433P431-G433 VanDerWaalsContact C-N 3.34Å
432D86.6Confident79.6Confident93 Ų9389.9 Ų89.950%0.49749%0.493SS..THydrogen-bonded Turntrans-87-0.9174.767.5-9000113.4L430 R434L430-D432 WeakPolarHBondContact CB-OD1 3.16Å; L430-D432 PolarHBondContact O-N 3.17Å; L430-D432 VanDerWaalsContact O-N 3.13Å; D432-R434 WeakPolarHBondContact OD1-CB 3.41Å; D432-R434 PolarHBondContact OD1-N 3.17Å; D432-R434 WeakPolarHBondContact OD2-CD 3.35Å; D432-R434 WeakPolarHBondContact OD2-CG 3.19Å; D432-R434 IonicContact OD2-CZ 3.96Å; D432-R434 IonicContact OD2-NE 3.47Å; D432-R434 PolarHBondContact OD2-NE 3.31Å
433G82.9Confident79.4Confident50 Ų5091.2 Ų91.252%0.51551%0.507SS..SBendtrans84.4-0.1-177.400000115L430 P431L430-G433 PolarHBondContact O-N 3.21Å; P431-G433 VanDerWaalsContact C-N 3.34Å
434R86.9Confident78.8Confident183 Ų18394.3 Ų94.369%0.69152%0.522SS*.  trans-76.5154.8175-61.8-177.1-175.6170.8-2.3111.1L430 D432L430-R434 PolarHBondContact N-O 3.22Å; D432-R434 WeakPolarHBondContact OD1-CB 3.41Å; D432-R434 PolarHBondContact OD1-N 3.17Å; D432-R434 WeakPolarHBondContact OD2-CD 3.35Å; D432-R434 WeakPolarHBondContact OD2-CG 3.19Å; D432-R434 IonicContact OD2-CZ 3.96Å; D432-R434 IonicContact OD2-NE 3.47Å; D432-R434 PolarHBondContact OD2-NE 3.31Å
435V84.7Confident78.1Confident82 Ų8293.5 Ų93.550%0.49753%0.529SS..EExtended strand (participates in β ladder)trans-93.7113.4169.8-179.80000108.4P427 L429 Y437P427-V435 HydrophobicContact CB-CG1 3.55Å; L429-V435 HydrophobicContact CD1-CG2 4.2Å; V435-Y437 HydrophobicContact CG1-CE2 4.13Å
436G83.2Confident76.7Confident21 Ų2195.9 Ų95.922%0.21654%0.541CS..EExtended strand (participates in β ladder)trans-100.1150.1168.400000110.2M428M428-G436 PolarHBondContact N-O 2.91Å; M428-G436 PolarHBondContact O-N 2.82Å
437Y86.2Confident75.5Confident150 Ų15098.8 Ų98.859%0.58857%0.569SS**EExtended strand (participates in β ladder)trans-105.1130.5177-68.3-97.6000110M425 P427 V435M425-Y437 HydrophobicContact CB-CD1 4.45Å; P427-Y437 HydrophobicContact CB-CD1 4.22Å; P427-Y437 HydrophobicContact CB-CE1 3.93Å; P427-Y437 HydrophobicContact CG-CE1 4.48Å; V435-Y437 HydrophobicContact CG1-CE2 4.13Å
438V83.4Confident73.7Confident74 Ų7499.3 Ų99.345%0.44858%0.58SS.*EExtended strand (participates in β ladder)trans-116.4133.8179.1-175.90000109.4V426 M428 Q440V426-V438 PolarHBondContact N-O 3.38Å; V426-V438 PolarHBondContact O-N 2.9Å; M428-V438 HydrophobicContact CB-CG2 4.36Å; M428-V438 HydrophobicContact CE-CG2 3.77Å; M428-V438 HydrophobicContact SD-CG2 4.35Å; V438-Q440 PolarHBondContact O-N 2.84Å
439L80.1Confident72Confident69 Ų6998.5 Ų98.536%0.36159%0.589SS.*EExtended strand (participates in β ladder)trans-80105-179.5-168.663.7000110.3M419 M423 M425M419-L439 HydrophobicContact CE-CD1 4.24Å; M419-L439 HydrophobicContact SD-CD1 3.82Å; M419-L439 HydrophobicContact SD-CD2 4.5Å; M423-L439 HydrophobicContact CB-CD1 3.62Å; M423-L439 HydrophobicContact CB-CD2 4.3Å; M423-L439 HydrophobicContact CB-CG 3.85Å; M423-L439 HydrophobicContact SD-CD2 3.68Å; M423-L439 HydrophobicContact SD-CG 4.02Å; M425-L439 HydrophobicContact CG-CD1 3.95Å; M425-L439 HydrophobicContact SD-CB 3.85Å; M425-L439 HydrophobicContact SD-CD1 3.84Å; M425-L439 HydrophobicContact SD-CG 4.45Å
440Q71.6Confident70.4Confident58 Ų5898 Ų9827%0.27159%0.593SS.*EExtended strand (participates in β ladder)trans-85132-178.5-168.4173.530.200111.2M423 Q424 V426 V438 M446M423-Q440 WeakPolarHBondContact CA-O 3.47Å; Q424-Q440 PolarHBondContact N-O 3.42Å; Q424-Q440 PolarHBondContact O-N 3.01Å; V426-Q440 HydrophobicContact CG2-CB 4.06Å; V438-Q440 PolarHBondContact O-N 2.84Å; Q440-M446 PolarHBondContact NE2-SD 3.46Å; Q440-M446 VanDerWaalsContact NE2-SD 3.41Å
441Q67.9Low68.6Low122 Ų122100.5 Ų100.557%0.5761%0.614SS**PPolyproline II helixtrans-75.1137.2172.7-66.3-171.42.800111.1G443 M444Q441-G443 PolarHBondContact O-N 3.41Å; Q441-M444 HydrophobicContact CB-SD 4.46Å
442P62.6Low67.1Low92 Ų92102.7 Ų102.760%0.59761%0.611SS**THydrogen-bonded Turntrans-65.5131.317826.3-33000111.1G422G422-P442 WeakPolarHBondContact O-CB 3.4Å; G422-P442 WeakPolarHBondContact O-CD 3.43Å; G422-P442 WeakPolarHBondContact O-CG 3.37Å
443G64.4Low65.2Low80 Ų80109.4 Ų109.483%0.82563%0.63SS**THydrogen-bonded Turntrans104.6-8.4176.200000115.7Q441 P445Q441-G443 PolarHBondContact O-N 3.41Å; G443-P445 WeakPolarHBondContact O-CD 3.42Å
444M58.8Low63.4Low126 Ų126112.9 Ų112.962%0.62164%0.643SS**  trans-79.9116.8168.7-64.7-17675.400109.8Q441 M446Q441-M444 HydrophobicContact CB-SD 4.46Å; M444-M446 PolarHBondContact O-N 3.03Å
445P58.9Low61.3Low121 Ų121115.7 Ų115.779%0.78665%0.654SS**  trans-65.6136.1177.227.5-33.8000110.1G443 A447G443-P445 WeakPolarHBondContact O-CD 3.42Å; P445-A447 PolarHBondContact O-N 3.06Å
446M50.7Low59.2Low135 Ų135123.8 Ų123.867%0.66568%0.675SS**  trans-54.8115.5174.1-72.8-73.7-87.500109.7Q440 M444 A448Q440-M446 PolarHBondContact NE2-SD 3.46Å; Q440-M446 VanDerWaalsContact NE2-SD 3.41Å; M444-M446 PolarHBondContact O-N 3.03Å; M446-A448 PolarHBondContact O-N 3.17Å
447A54.7Low57.1Low99 Ų99130.2 Ų130.282%0.81871%0.705SS**  trans-61.3107.1166.900000107.1P445 A449P445-A447 PolarHBondContact O-N 3.06Å; A447-A449 PolarHBondContact O-N 2.96Å
448A47.6Very low55Low92 Ų92128.5 Ų128.576%0.7671%0.706SS**PPolyproline II helixtrans-55124.8-170.300000110.3M446M446-A448 PolarHBondContact O-N 3.17Å
449A50.4Low52.9Low84 Ų84135.1 Ų135.169%0.69472%0.723SS**PPolyproline II helixtrans-50.8133.8178.400000109.1A447 P451A447-A449 PolarHBondContact O-N 2.96Å; A449-P451 VanDerWaalsContact O-N 3.17Å
450P51.3Low51Low115 Ų115139.7 Ų139.775%0.74775%0.748SS**PPolyproline II helixtrans-55.3126.6-17322.2-33.2000109Q452P450-Q452 PolarHBondContact O-N 3.1Å; P450-Q452 VanDerWaalsContact O-N 3.1Å
451P49.2Very low49.5Very low120 Ų120145 Ų14578%0.77978%0.778SS**PPolyproline II helixtrans-57.3122.4-165.520.5-32.8000109.7A449 R453A449-P451 VanDerWaalsContact O-N 3.17Å; P451-R453 PolarHBondContact O-N 3.05Å; P451-R453 VanDerWaalsContact O-N 3.11Å
452Q47.8Very low48.2Very low190 Ų190141.8 Ų141.889%0.88878%0.777SS**PPolyproline II helixtrans-54.5124.1-179.9-72.3-157.9-2.100108.8P450 P454P450-Q452 PolarHBondContact O-N 3.1Å; P450-Q452 VanDerWaalsContact O-N 3.1Å; Q452-P454 WeakPolarHBondContact O-CD 3.48Å; Q452-P454 VanDerWaalsContact O-N 3.16Å
453R45.9Very low47.2Very low235 Ų235142.9 Ų142.989%0.88779%0.788SS**PPolyproline II helixtrans-52.7123.9-173-71-175.9175-165.6-0.7109.2P451 R455P451-R453 PolarHBondContact O-N 3.05Å; P451-R453 VanDerWaalsContact O-N 3.11Å; R453-R455 PolarHBondContact O-N 3.2Å; R453-R455 VanDerWaalsContact O-N 3.16Å
454P45.2Very low46.2Very low122 Ų122144.8 Ų144.879%0.79279%0.788SS**PPolyproline II helixtrans-53126.6174-26.134.2000109.4Q452 R456Q452-P454 WeakPolarHBondContact O-CD 3.48Å; Q452-P454 VanDerWaalsContact O-N 3.16Å; P454-R456 PolarHBondContact O-N 3.11Å
455R43.4Very low45.3Very low242 Ų242142.5 Ų142.591%0.91380%0.797SS**PPolyproline II helixtrans-57.7127.1169-80.2-174.4172.4172.4-1.2107.2R453 N457R453-R455 PolarHBondContact O-N 3.2Å; R453-R455 VanDerWaalsContact O-N 3.16Å; R455-N457 VanDerWaalsContact C-N 3.32Å; R455-N457 PolarHBondContact O-N 3.16Å
456R39.2Very low44.4Very low252 Ų252140.2 Ų140.295%0.95180%0.795SS**  trans-62.786.4-168.4-177.9-172175.3-174.5-0.7111.3P454P454-R456 PolarHBondContact O-N 3.11Å
457N40.4Very low44Very low157 Ų157140.1 Ų140.184%0.8481%0.808SS**  trans-109.398.4172.3-155.540.7000107.7R455R455-N457 VanDerWaalsContact C-N 3.32Å; R455-N457 PolarHBondContact O-N 3.16Å
458D41.8Very low43.4Very low114 Ų114138.7 Ų138.761%0.6180%0.803SS**  trans-160.5139.4160.9-139.7-14.8000113.1
459R40Very low43.2Very low212 Ų212145.8 Ų145.880%0.881%0.81SS**  trans52.6101.1164-65.2154.3-133.3-1586.5118.6
460N39.3Very low42.8Very low166 Ų166147.7 Ų147.789%0.88881%0.808SS**  -153.3108.6103.5-150.44.2000112.9
461N40Very low42.5Very low168 Ų168148.1 Ų148.190%0.89880%0.804SS**  trans-157.3120.1163.7-179.521.7000108.3
462G39.9Very low42.3Very low55 Ų55146.7 Ų146.757%0.56780%0.797SS**  trans145.5115.3176.200000115
463S42Very low42.3Very low116 Ų116145.4 Ų145.481%0.81179%0.791SS**  trans59.7100151.2-58.90000120.5
464S44.4Very low42.2Very low120 Ų120142 Ų14284%0.83979%0.785SS**  49.2129.3122.765.90000121.7
465G38.5Very low42.3Very low78 Ų78144.4 Ų144.480%0.80479%0.785SS**  trans129.866.113700000119.7
466G39.9Very low42.5Very low72 Ų72139.9 Ų139.974%0.74278%0.779SS**  trans54.8143.3133.400000124.1
467S44.1Very low42.7Very low134 Ų134131.4 Ų131.494%0.93777%0.77SS**  trans8414915779.90000119.6
468G40.5Very low42.8Very low69 Ų69131.4 Ų131.471%0.71177%0.77SS**  trans85.5125.5-17400000113.5
469R43.3Very low43.1Very low241 Ų241137.3 Ų137.391%0.90978%0.784SS**  cis58.1128.89.6-77.5-175.1-179.5174.4-0.4114.7
470D43.9Very low43.4Very low124 Ų124130.9 Ų130.966%0.66378%0.783SS**  cis-163.7171.8-4.3-153.4-8.2000110.7
471N43.3Very low44Very low123 Ų123126 Ų12666%0.65877%0.773SS**  trans59.4119.9153.2-74.3-50.9000123.8
472S46Very low44.5Very low90 Ų90129.9 Ų129.963%0.62978%0.775SS**  86.9147.2118.2750000123.1
473H46.6Very low45.1Very low163 Ų163138.1 Ų138.176%0.75579%0.789SS**  trans62.8158.4157.8-63.1-41000119.7
474E44.7Very low45.3Very low163 Ų163142.8 Ų142.876%0.76279%0.79SS**  cis-172-179.4-43.9-138163.8100.800108.7
475H47.7Very low45.7Very low174 Ų174147.6 Ų147.681%0.80679%0.79SS**  trans82.8156.5155.1-141.59.7000120.3
476D46.5Very low46.8Very low146 Ų146149 Ų14978%0.78179%0.785SS**  trans-75.5169.9-157.5-66.4-109.8000117.6
477G43.2Very low47.6Very low74 Ų74160.2 Ų160.276%0.76381%0.807SS**  trans-164.636.6176.700000117.7R479G477-R479 PolarHBondContact O-N 2.77Å
478N42.9Very low47.7Very low158 Ų158161.5 Ų161.585%0.84580%0.8SS**  trans-60105.7-175.8176.521.3000115.2
479R47.4Very low48.1Very low238 Ų238166.4 Ų166.490%0.89881%0.805SS**  trans-146.3132.4152.2-65.3-176.6176.8170.1-1106.2G477G477-R479 PolarHBondContact O-N 2.77Å
480G47.4Very low48.4Very low76 Ų76162.2 Ų162.278%0.78480%0.799SS**  cis94.6116.732.700000108.9
481G51Low48.7Very low65 Ų65164.5 Ų164.567%0.6781%0.807SS**  cis162.8179.7-1.100000110.3
482R52.3Low49Very low248 Ų248167.1 Ų167.194%0.93682%0.816SS**  trans68.2157.9-178.2-52.4178.9-170.7-113.6-0.3113.8
483R51.9Low49.2Very low228 Ų228172.2 Ų172.286%0.8683%0.829SS**  cis-175.7160.2-38.6-120.5-173.8-178.2-167.71.5105.5
484Y46.5Very low49.4Very low215 Ų215172.9 Ų172.984%0.84383%0.834SS**  trans70.1128.4174.7-114-110000114.8
485R52.8Low49.7Very low221 Ų221173.6 Ų173.683%0.83484%0.84SS**  cis81.1143.339.1-81.7-155.5163.2-157.8-3.9115
486P60.4Low49.9Very low107 Ų107173.6 Ų173.670%0.69584%0.843SS**  trans-112.2177.1-13642.7-36.8000114.8
487Y56.5Low50.2Low307 Ų307176.1 Ų176.1100%1.20485%0.848SS**  trans-109.80140.9-79.9-89.7000108

Retrieved 487 of 487 residues in 917.9 ms (Link to these results)