A0A087XQE6_POEFO Loading...

Zinc finger protein 281

Transcription repressor that plays a role in regulation of embryonic stem cells (ESCs) differentiation. Required for ESCs differentiation and acts by mediating autorepression of NANOG in ESCs: binds to the NANOG promoter and promotes association of NANOG protein to its own promoter and recruits the NuRD complex, which deacetylates histones. Not required for establishement and maintenance of ESCs. Represses the transcription of a number of genes including GAST, ODC1 and VIM. Binds to the G-rich box in the enhancer region of these genes.

AlphaFold DB , UniProt , Accession A0A087XQE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 795 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.9Very low34.7Very low209 Ų209152.2 Ų152.2100%1.0379%0.793SS**  0114.80-63.4160.5179.600106.4
2N31.3Very low34.6Very low148 Ų148156.6 Ų156.679%0.79180%0.802SS**  cis58.6138.47.5-153.65.6000115.3
3I41.3Very low34.6Very low135 Ų135157.7 Ų157.769%0.69281%0.809SS**  trans61.4134-167-20.3178.2000110.3
4I44.1Very low34.4Very low157 Ų157162.8 Ų162.881%0.80581%0.813SS**  cis-142.7151.929.5-71.4165000109.4
5Q38Very low34.5Very low135 Ų135159.8 Ų159.863%0.63181%0.814SS**  cis-175.4163.9-26.6-152.3177.7-49.200109
6D30.8Very low34.4Very low124 Ų124160 Ų16066%0.66382%0.817SS**  trans24.4131.7154-65.4-26000122.1
7K33Very low34.1Very low196 Ų196154.7 Ų154.785%0.85281%0.812SS**  -164.5157.395.8-106.5174.6-175.6-177.50114.6
8L36.7Very low34.1Very low177 Ų177152.3 Ų152.393%0.92781%0.81SS**  trans66.368.8171.4-57.3-179.8000116.8
9G29.8Very low34.3Very low69 Ų69153.6 Ų153.671%0.71181%0.813SS**  trans-142.556.3165.600000112.5
10N29.2Very low34Very low158 Ų158153.1 Ų153.185%0.84581%0.811SS**  trans-170.4120.6169.3-95.4-39.7000109.7
11E33.3Very low34.1Very low166 Ų166150.8 Ų150.878%0.77681%0.807SS**  trans165.860.2151.2-92.6-45.8133.400110.2
12F33.8Very low34.2Very low205 Ų205147.8 Ų147.890%0.89980%0.795SS**SBendtrans-151.323168.1-144.7-99000115
13L34.8Very low34.3Very low171 Ų171151.1 Ų151.190%0.89580%0.803SS**SBendtrans-141.762.3173.1-78.6-178.8000111.5
14R31.6Very low33.8Very low229 Ų229148 Ų14886%0.86481%0.805SS**  trans-157.165.1163.7-140.5174.7-67.8-100.42.2114.8
15S36.4Very low33.2Very low118 Ų118146 Ų14683%0.82581%0.811SS**SBendtrans-136.1115.2163.457.90000111.2
16N31.9Very low32.9Very low163 Ų163143.1 Ų143.187%0.87282%0.818SS**  trans-41153.4-177.5-46-27.7000115.9
17G30.4Very low33Very low70 Ų70145.8 Ų145.872%0.72283%0.828SS**  cis155.4173-4.500000113.6
18S33.2Very low33.2Very low111 Ų111144.2 Ų144.278%0.77683%0.828SS**  trans33102154.5-171.10000120.4
19M38.1Very low33.1Very low178 Ų178144.1 Ų144.188%0.87783%0.825SS**  176.9168.6110.6-96.1-172.617500112
20D28.3Very low33.2Very low142 Ų142149.2 Ų149.276%0.75983%0.827SS**  trans-100.5170.6-153.7-53.7-93.6000116.8
21S36.6Very low33.2Very low105 Ų105147.2 Ų147.273%0.73483%0.826SS**  trans92.7132.3152.8-51.70000119.5
22N35.7Very low33.2Very low147 Ų147146.7 Ų146.779%0.78682%0.823SS**  trans66101.4162.1-54.7-26.6000118.1
23F33.7Very low33.4Very low218 Ų218144.3 Ų144.396%0.95682%0.819SS**  -167.5158.6105.2-109.5-78.6000110.8
24G30.7Very low33.4Very low70 Ų70142 Ų14272%0.72281%0.814SS**  trans-74.5150.6-174.200000114.5G26G24-G26 PolarHBondContact O-N 3.33Å
25A31.8Very low34Very low113 Ų113137.1 Ų137.193%0.93481%0.812SS**  trans-71.4109.3-174.400000113.2
26G32.1Very low33.8Very low75 Ų75138.6 Ų138.677%0.77382%0.816SS**  trans-83.2156.3168.400000113.1G24G24-G26 PolarHBondContact O-N 3.33Å
27M31.7Very low33.9Very low180 Ų180135.4 Ų135.489%0.88781%0.812SS**  trans-73.8153.2176.9-61.7159.757.300112.4
28I37.8Very low33.9Very low164 Ų164137 Ų13784%0.84181%0.812SS**  -174.1140.5124.9-93.6150.9000108.6
29M35Very low33.8Very low175 Ų175141.8 Ų141.886%0.86282%0.82SS**  trans-96.5141.8-177.3-71.4-108.9-7000112.2
30F30.5Very low33.6Very low176 Ų176139.3 Ų139.377%0.77281%0.814SS**  trans-84.4140.1164.9-84.6-100.5000111.1H32F30-H32 AromaticContact CD1-NE2 3.59Å
31S29.1Very low33.7Very low116 Ų116144.2 Ų144.281%0.81182%0.822SS**  trans-106.9112171.2-66.40000109.8
32H33.8Very low33.5Very low154 Ų154147.2 Ų147.271%0.71383%0.829SS**  trans-122.8147.3176.5-79-69.2000112.8F30F30-H32 AromaticContact CD1-NE2 3.59Å
33L37.4Very low33.4Very low156 Ų156145.9 Ų145.982%0.81783%0.831SS**PPolyproline II helixtrans-77.6146.1-178.7-66.469.5000111.2
34P36Very low33.3Very low121 Ų121140.4 Ų140.479%0.78683%0.826SS**PPolyproline II helixtrans-79.5135.8160.832.3-31.5000111
35P43.6Very low33.5Very low128 Ų128146.1 Ų146.183%0.83183%0.834SS**PPolyproline II helixtrans-86.2165.6-179.934.4-35.8000113.8
36V32.1Very low33.5Very low149 Ų149146 Ų14690%0.90383%0.826SS**PPolyproline II helixtrans-89.2140.2177.2176.50000111.1
37A33.6Very low33.5Very low96 Ų96149.4 Ų149.479%0.79383%0.832SS**  trans-140.4140.8164.300000111.2
38S31.9Very low33.5Very low104 Ų104149.1 Ų149.173%0.72783%0.83SS**  trans-95.6151.3-177.353.70000112.7
39F30.9Very low33.2Very low211 Ų211150.7 Ų150.793%0.92583%0.834SS**  trans-136.2136.7162.9-99.8-78.7000113.9
40T33.3Very low32.8Very low125 Ų125151.4 Ų151.477%0.76784%0.835SS**  trans-83.1143.1-173.4-48.70000111.8
41R30.6Very low32.8Very low246 Ų246150.8 Ų150.893%0.92884%0.839SS**  trans-78.4126.7165.8-77.7-168.3175.2-156.8-0.9110.5
42L32.1Very low33.3Very low167 Ų167150.9 Ų150.987%0.87484%0.837SS**  trans-114.9147.4161.8-80.9169.3000110.1
43S34.2Very low33.8Very low119 Ų119148.6 Ų148.683%0.83284%0.836SS**  trans-94.1147.3178.550.20000111.7
44A32.2Very low33.4Very low103 Ų103149.8 Ų149.885%0.85184%0.837SS**  trans-127.514516800000110.2
45H33.3Very low33.2Very low190 Ų190150.7 Ų150.788%0.8884%0.836SS**  trans-108.6164.6-177.3-124.3-103.3000111.4
46S33.4Very low32.5Very low111 Ų111151.8 Ų151.878%0.77683%0.834SS**  trans-65.9146.2-174.5-40.60000115.2
47V30.9Very low32.5Very low146 Ų146153 Ų15389%0.88583%0.833SS**  trans-138.3149.1148.1-177.80000108.5
48M31.9Very low32.3Very low174 Ų174155.2 Ų155.286%0.85783%0.831SS**  trans-99.4149.9178.8-63.8157.850.100111.5
49Q31.2Very low32.4Very low198 Ų198157.6 Ų157.693%0.92583%0.828SS**  trans-156.3175.7149.1-122168.83.900112.6
50E26.1Very low32.3Very low189 Ų189157.2 Ų157.288%0.88383%0.826SS**  trans-101.7177-149.7-64.2-175.898.900116.9
51L31.1Very low32.1Very low163 Ų163157.2 Ų157.285%0.85382%0.817SS**  trans-60.4174.8173.7-69171.9000112.8
52P39.3Very low32Very low119 Ų119157.1 Ų157.177%0.77382%0.817SS**  cis-148.5-149.133.351.3-28.3000114.9
53P44.7Very low31.8Very low105 Ų105156.1 Ų156.168%0.68281%0.813SS**  -131.9176.7-124.332-6.2000117.1
54Q30.3Very low31.5Very low182 Ų182156 Ų15685%0.8581%0.812SS**  trans-160.7121.6153.7-118.5140.4104.400115.8
55D29.7Very low31.5Very low140 Ų140156.8 Ų156.875%0.74981%0.808SS**  trans43.194.1139.2-59.6-17.2000123.9
56L30.3Very low31.1Very low151 Ų151155.8 Ų155.879%0.79181%0.809SS**  24.5116.4115.1-62.8171.3000120.1
57I30.8Very low30.8Very low175 Ų175156.5 Ų156.590%0.89781%0.813SS**  trans-127.2144.8142.4-64.1-175.9000109
58L30.7Very low30.7Very low141 Ų141155.3 Ų155.374%0.73881%0.811SS**  trans-109.2141.9-166.3-83.6165.1000114.5
59K33.6Very low30.6Very low155 Ų155154 Ų15467%0.67481%0.813SS**  trans31.6131.8147.8-79-166159-146.90119.9E61K59-E61 WeakPolarHBondContact CD-OE2 3.22Å; K59-E61 WeakPolarHBondContact CE-OE2 3.46Å; K59-E61 IonicContact NZ-OE1 2.7Å; K59-E61 PolarHBondContact NZ-OE1 3.25Å; K59-E61 IonicContact NZ-OE2 2.68Å; K59-E61 PolarHBondContact NZ-OE2 2.65Å
60K28.8Very low30.5Very low203 Ų203148 Ų14888%0.88380%0.804SS**  -145.3111.6128.6-160.8164.4-173.4174.60112.2
61E28.8Very low30.6Very low125 Ų125144.5 Ų144.558%0.58480%0.8SS**  trans-73.4152.2164.4-71.6129.213200110.8K59K59-E61 WeakPolarHBondContact CD-OE2 3.22Å; K59-E61 WeakPolarHBondContact CE-OE2 3.46Å; K59-E61 IonicContact NZ-OE1 2.7Å; K59-E61 PolarHBondContact NZ-OE1 3.25Å; K59-E61 IonicContact NZ-OE2 2.68Å; K59-E61 PolarHBondContact NZ-OE2 2.65Å
62R28.6Very low30.5Very low244 Ų244146 Ų14692%0.92180%0.803SS**  trans-156.8112.4152.7-160.9172.8-164.71624.8110.3
63D27.5Very low29.9Very low146 Ų146144.3 Ų144.378%0.78181%0.807SS**PPolyproline II helixtrans-78.3164.5-177.5-60-87000114
64S27.4Very low29Very low117 Ų117143.2 Ų143.282%0.81882%0.815SS**PPolyproline II helixtrans-71.6155.2173.3-54.60000112.9
65P33Very low29Very low118 Ų118143.5 Ų143.577%0.76682%0.816SS**PPolyproline II helixtrans-92.1121.6164.733.8-28.3000111.8
66D24.6Very low29Very low169 Ų169146.4 Ų146.490%0.90483%0.825SS**PPolyproline II helixtrans-91.5137.7156.5-92.2-44.8000109.4
67C26.8Very low28.9Very low126 Ų126143.1 Ų143.185%0.85183%0.828SS**  trans-133.1121.6173.1-81.50000111
68S28.5Very low28.7Very low121 Ų121138.6 Ų138.685%0.84682%0.824SS**  trans-85.4157.4177.153.50000113.1
69V31.6Very low28.6Very low148 Ų148136.6 Ų136.690%0.89783%0.827SS**  trans-62.8138-175-179.40000113.6
70G28Very low28.3Very low72 Ų72134 Ų13474%0.74284%0.836SS**  trans-128.1158.116200000110
71S28.9Very low28.2Very low115 Ų115128.7 Ų128.780%0.80483%0.829SS**  trans-122.4163.8-166.9-169.20000114
72Q28.9Very low28.3Very low193 Ų193129.8 Ų129.890%0.90284%0.844SS**  trans81.6130172.2-55.1-171.2-5.800119.3
73G26.2Very low28.3Very low84 Ų84121.8 Ų121.887%0.86684%0.837SS**  trans115121.6135.400000117.6
74G27Very low28.3Very low82 Ų82122.1 Ų122.185%0.84584%0.839SS**  trans120.9137.9162.400000115.4
75H29.3Very low28.3Very low189 Ų189126.5 Ų126.588%0.87584%0.839SS**  trans-102.9163.1175.7-81-85000112.2
76Q30Very low28.1Very low201 Ų201127 Ų12794%0.93984%0.84SS**  trans95.7120.7137.6-147.8164.994.900119.3
77G27.3Very low28.5Very low82 Ų82126.6 Ų126.685%0.84583%0.832SS**  trans115.6131.2145.300000118.9
78G27.6Very low28.7Very low79 Ų79125.1 Ų125.181%0.81483%0.829SS**  trans102.876.4132.800000121.3
79A28Very low28.8Very low99 Ų99127.8 Ų127.882%0.81883%0.83SS**  trans12.8139.1140.300000124.5
80A26.8Very low28.6Very low102 Ų102124.3 Ų124.384%0.84383%0.825SS**  trans83.4162.6132.500000122.9
81A28.4Very low28.9Very low91 Ų91128.9 Ų128.975%0.75283%0.831SS**  trans65.5127.8-174.500000115.6
82V29.3Very low28.9Very low148 Ų148133.2 Ų133.290%0.89784%0.835SS**  cis76.7118.531.4-172.60000113.8
83G29.8Very low28.9Very low75 Ų75133.2 Ų133.277%0.77384%0.835SS**  trans167.2100.1174.900000112.8
84D27.3Very low29Very low153 Ų153138.2 Ų138.282%0.81884%0.835SS**  trans-71.9149.9174.4-59.9-77.3000112.3
85Y27.2Very low29Very low209 Ų209144 Ų14482%0.8284%0.837SS**  trans-147.9131.3160.3-131.4-89000112.8H87Y85-H87 AromaticContact CD1-CD2 3.89Å
86V29Very low28.9Very low129 Ų129143.3 Ų143.378%0.78284%0.835SS**  trans-103.5133.1-179.9175.80000109.4
87H31.9Very low28.8Very low160 Ų160138.7 Ų138.774%0.74182%0.824SS**  trans-129.8116.4168.5-99.2-84.3000111.5Y85Y85-H87 AromaticContact CD1-CD2 3.89Å
88A31.2Very low28.9Very low96 Ų96143.7 Ų143.779%0.79383%0.826SS**  trans-77.8136.317100000110.6
89M31.5Very low28.9Very low176 Ų176147.8 Ų147.887%0.86782%0.823SS**  trans-110.3118.7176.6-78.5-70.3-75.900110.7
90G27.9Very low29Very low76 Ų76150.8 Ų150.878%0.78483%0.825SS**PPolyproline II helixtrans-74.5136.918000000113
91I32.5Very low28.9Very low168 Ų168156.5 Ų156.586%0.86283%0.827SS**PPolyproline II helixtrans-81.9119.5-179.1-49.7170.8000109.6
92K30.1Very low28.9Very low206 Ų206163.8 Ų163.890%0.89684%0.835SS**PPolyproline II helixtrans-94.1126163.4-77.8-172.6175.4-179.10110.1
93Q28.8Very low28.8Very low192 Ų192164.1 Ų164.190%0.89783%0.831SS**PPolyproline II helixtrans-78.4136.4167.1-65178.6-500109.5
94E28.1Very low29Very low189 Ų189164 Ų16488%0.88382%0.817SS**  trans-122.1140163.6-164.3169.7159.300109.3
95K27.9Very low29.1Very low204 Ų204164.8 Ų164.889%0.88782%0.82SS**PPolyproline II helixtrans-81127.8-165.6-64.6179.9179.6179.90111
96Q25.5Very low29.2Very low175 Ų175164.4 Ų164.482%0.81882%0.818SS**PPolyproline II helixtrans-74.5130.1167.5-55.6-162-94.200109.5
97S28.5Very low29.5Very low103 Ų103164.5 Ų164.572%0.7282%0.822SS**PPolyproline II helixtrans-82.5139.6167.347.90000110.8
98E29.6Very low29.3Very low187 Ų187160.3 Ų160.387%0.87482%0.822SS**PPolyproline II helixtrans-82.9134-178.5-58.9-179.1126.600111.3
99H28.5Very low29.1Very low166 Ų166159.7 Ų159.777%0.76983%0.825SS**  trans-140.7128.9166.8-82.3-41.8000111.3
100D28.2Very low29.2Very low161 Ų161159.7 Ų159.786%0.86183%0.827SS**  trans-60.1135-172.9-70-72.3000114.2
101Y24.8Very low29.1Very low223 Ų223159.6 Ų159.688%0.87583%0.826SS**  trans-116.379164.2-94.7-84.9000111.3L103Y101-L103 PolarHBondContact O-N 3.02Å
102R29.2Very low29.3Very low243 Ų243163.1 Ų163.192%0.91783%0.829SS**  trans-59.3129.7166.3-132.5177.8-175.8134.8-1.7109.5
103L28.2Very low29.2Very low155 Ų155158.9 Ų158.981%0.81283%0.826SS**  trans-71.2145.1175.6-70.9171.4000110.7Y101 L105Y101-L103 PolarHBondContact O-N 3.02Å; L103-L105 PolarHBondContact O-N 3.12Å
104P32.7Very low29.1Very low74 Ų74153 Ų15348%0.48182%0.817SS.*  trans-77.2114.5176.9-4.421.7000110.2R292P104-R292 VanDerWaalsContact CG-NH1 3.3Å
105L30.2Very low29.1Very low168 Ų168153.3 Ų153.388%0.8882%0.818SS**PPolyproline II helixtrans-67.8148.8162.6-64170.4000109.7L103L103-L105 PolarHBondContact O-N 3.12Å
106Y28.9Very low29.1Very low201 Ų201150 Ų15079%0.78882%0.815SS**PPolyproline II helixtrans-85.5145162.3-88.5-89000109.3G108Y106-G108 PolarHBondContact O-N 2.82Å
107P34.8Very low29.2Very low131 Ų131149 Ų14985%0.85181%0.814SS**PPolyproline II helixtrans-76.4122.6179.2-10.427.4000111.3
108G27.8Very low29Very low72 Ų72152.7 Ų152.774%0.74282%0.82SS**PPolyproline II helixtrans-99.7148.1157.800000109.9Y106Y106-G108 PolarHBondContact O-N 2.82Å
109G27.6Very low28.9Very low84 Ų84149.5 Ų149.587%0.86681%0.813SS**PPolyproline II helixtrans-69.6158.7179.600000113.6
110L32.9Very low28.7Very low175 Ų175147.3 Ų147.392%0.91681%0.812SS**PPolyproline II helixtrans-80.6139.4-179.4-79.6127000113.2
111G27.2Very low28.8Very low74 Ų74145.9 Ų145.976%0.76381%0.808SS**  trans-140.9136.7156.500000109.1
112R36.2Very low28.8Very low242 Ų242139 Ų13991%0.91380%0.804SS**  trans-97.9161.6172.3-49.7176-166.5-111.84.3107.2
113S26.9Very low28.9Very low118 Ų118134.5 Ų134.583%0.82580%0.799SS**  cis-141.5162.62.838.10000106.4
114G28.2Very low29Very low69 Ų69136.5 Ų136.571%0.71180%0.804SS**  cis108.386.832.800000109
115E26.9Very low28.9Very low194 Ų194141.3 Ų141.391%0.90782%0.82SS**  trans-161.8163.1156.9-123.7168.1-144.400109.7
116V29Very low28.8Very low136 Ų136142.8 Ų142.882%0.82482%0.819SS**  trans-112.7119-174176.80000109.6
117L26.6Very low28.8Very low152 Ų152140.1 Ų140.180%0.79682%0.818SS**  trans-122.7116.6160.5-109.486.8000110.2V119L117-V119 HydrophobicContact CD2-CG2 4.09Å
118E24.2Very low28.6Very low181 Ų181141 Ų14185%0.84682%0.815SS**  trans-87.1120.2163.9179.6175.3-17300107.9
119V27.9Very low28.6Very low120 Ų120142.9 Ų142.973%0.72781%0.811SS**  trans-135126.9174.5-179.30000109.2L117L117-V119 HydrophobicContact CD2-CG2 4.09Å
120T25.3Very low28.8Very low121 Ų121143.5 Ų143.574%0.74280%0.801SS**  trans-84.5141.2-174.416.90000113.4
121V29.3Very low28.5Very low131 Ų131142.2 Ų142.279%0.79480%0.795SS**  trans30.5113.4152.1-173.30000118.5
122G24.2Very low28.9Very low77 Ų77144.4 Ų144.479%0.79479%0.789SS**  trans-138103.3160.300000111.7H124G122-H124 PolarHBondContact O-N 3.43Å
123N32.1Very low28.5Very low150 Ų150140 Ų14080%0.80278%0.783SS**  trans-75.3111.4176-94-26.7000110.9
124H29.6Very low29Very low196 Ų196141 Ų14191%0.90778%0.778SS**  trans-139.1118.4153.5-83.5-61.7000112.6G122G122-H124 PolarHBondContact O-N 3.43Å
125Q30.6Very low29.1Very low176 Ų176140.4 Ų140.482%0.82277%0.772SS**  trans-94.2117.4-177.9-175.3177.275.600109.3
126K28.7Very low29.4Very low198 Ų198138.9 Ų138.986%0.86177%0.77SS**  trans-125.298.5165.7-93.4-172173.1179.60110.6L128K126-L128 PolarHBondContact O-N 3.42Å
127L28.1Very low29.4Very low145 Ų145140 Ų14076%0.75977%0.771SS**  trans-67108.1169.1-76.1155.3000109.2V129L127-V129 VanDerWaalsContact C-N 3.34Å; L127-V129 PolarHBondContact O-N 3.23Å
128L30.8Very low29.4Very low151 Ų151138.8 Ų138.879%0.79177%0.774SS**  trans-84.880.5166-68.7-177.6000109.5K126 C130K126-L128 PolarHBondContact O-N 3.42Å; L128-C130 PolarHBondContact O-N 3.13Å
129V29.1Very low29.7Very low110 Ų110137 Ų13767%0.66777%0.771SS**  trans-62.5108.8165.9-179.30000107.7L127L127-V129 VanDerWaalsContact C-N 3.34Å; L127-V129 PolarHBondContact O-N 3.23Å
130C31.1Very low29.8Very low97 Ų97140 Ų14066%0.65578%0.777SS**  trans-11090.6177.5-69.80000109.3L128 L132L128-C130 PolarHBondContact O-N 3.13Å; C130-L132 PolarHBondContact O-N 3.3Å
131D26.9Very low29.9Very low149 Ų149142.1 Ų142.180%0.79778%0.783SS**  trans-58.5129.4-178.3-74.1-60000112.7N133D131-N133 PolarHBondContact O-N 3.39Å
132L35.3Very low29.8Very low119 Ų119144.5 Ų144.562%0.62379%0.785SS**  trans-93.570.9-171.9-85162.8000111.6C130 I134C130-L132 PolarHBondContact O-N 3.3Å; L132-I134 HydrophobicContact CD2-CD1 4.2Å; L132-I134 PolarHBondContact O-N 3.1Å
133N27.7Very low30.2Very low150 Ų150150.7 Ų150.780%0.80279%0.79SS**  trans-88.5100.6165.6-161.5-21.7000110.5D131 G135D131-N133 PolarHBondContact O-N 3.39Å; N133-G135 PolarHBondContact OD1-N 3.39Å
134I37.3Very low29.9Very low139 Ų139153 Ų15371%0.71380%0.796SS**  trans-108.171.4172.7-52.9-178.8000108.4L132L132-I134 HydrophobicContact CD2-CD1 4.2Å; L132-I134 PolarHBondContact O-N 3.1Å
135G29.5Very low30Very low56 Ų56147.6 Ų147.658%0.57779%0.786SS**  trans-69148.9170.200000112.2N133N133-G135 PolarHBondContact OD1-N 3.39Å
136N33.7Very low30.1Very low163 Ų163146.5 Ų146.587%0.87279%0.791SS**  trans-76.3126.4176.5-64.9-52.5000110.8
137L28.5Very low30.1Very low160 Ų160140.2 Ų140.284%0.83878%0.783SS**  trans-139.6103.7159.7-74.5178.5000110.4
138S28.1Very low30.4Very low125 Ų125143.8 Ų143.887%0.87479%0.786SS**  trans-117122.5152.8-76.60000106
139N29.5Very low30.5Very low145 Ų145146 Ų14678%0.77579%0.789SS**  trans-73.5162.9-167.5-101.2-9000114.2
140Q29.6Very low30.5Very low182 Ų182144.7 Ų144.785%0.8580%0.798SS**  trans-54.4150.3168.1-64.1155.4-47.300111.5
141L27.9Very low30.8Very low166 Ų166151.8 Ų151.887%0.86981%0.811SS**  trans-134.9138.3150.5-171.866.9000107.1
142E27.9Very low31Very low180 Ų180156.6 Ų156.684%0.84182%0.818SS**  trans-70.3156-170.6-69.7154.8105.600113.1
143K32.2Very low31Very low207 Ų207156.3 Ų156.390%0.983%0.826SS**  trans-108.198.7165.5-78.2-176.7176.9177.30109
144E24.8Very low31.1Very low198 Ų198156.3 Ų156.393%0.92583%0.826SS**  trans-69.6149.3154.7-71.8-161.8107.200110.3
145A33.5Very low30.9Very low83 Ų83157.7 Ų157.769%0.68683%0.833SS**  trans-146.1127.2174.400000111
146T31.9Very low31.2Very low154 Ų154162.4 Ų162.495%0.94585%0.845SS**  trans160.2170.1136.540.90000110.1
147G28.8Very low31.1Very low66 Ų66158.5 Ų158.568%0.6884%0.843SS**  trans125.249.3141.100000121.7
148R34.2Very low31.5Very low220 Ų220160.1 Ų160.183%0.8385%0.846SS**  trans63.8123.2138.4-65.8177.4170-169.5-1.7121.7
149K32Very low31.6Very low197 Ų197162.6 Ų162.686%0.85784%0.844SS**  trans68.6121132.6-62.9177.7178.2-174.60120.3
150G31.1Very low31.9Very low82 Ų82158.1 Ų158.185%0.84583%0.832SS**  trans-175.995.1158.100000113.9
151R37.1Very low32.2Very low246 Ų246158.7 Ų158.793%0.92883%0.831SS**  trans-82.3140.8169-81.5-171.2176.4-148.73.1110.5
152R31.2Very low32.8Very low251 Ų251156.3 Ų156.395%0.94783%0.826SS**  trans-162172.2135-105162-138.2-85.33.6110.2
153S33.7Very low33.1Very low112 Ų112160 Ų16078%0.78383%0.833SS**  trans-118.7172.8-154.150.60000114.6
154N30.4Very low33.1Very low151 Ų151160 Ų16081%0.80783%0.833SS**  trans-43.8152.2174.6-55.54000115
155I33.6Very low33.6Very low168 Ų168159.5 Ų159.586%0.86283%0.827SS**  -155.8154.4127.7-103.3156000108.6
156D35.2Very low33.5Very low155 Ų155167.6 Ų167.683%0.82984%0.84SS**  trans-71.6163.3-170.4-62.2-97.7000115.9
157G32.1Very low33.7Very low81 Ų81164.7 Ų164.784%0.83583%0.826SS**  trans-172.285.1174.700000113.5
158H36.2Very low33.8Very low193 Ų193168.2 Ų168.289%0.89483%0.825SS**  trans-76.6133.1166.5-98.1-94.2000110.7
159E30.1Very low34.1Very low177 Ų177162.6 Ų162.683%0.82783%0.825SS**  trans-166.4160146.2-106.4-75.567.500108.3
160G35.5Very low34.4Very low51 Ų51160.5 Ų160.553%0.52682%0.816SS.*  trans-129.4-173-164.500000117.9
161K36.7Very low34.6Very low194 Ų194165.5 Ų165.584%0.84382%0.817SS**  trans81.8159.4178.9-47.6147.8-173158.20114.3
162P39.5Very low34.1Very low117 Ų117158.3 Ų158.376%0.7681%0.81SS**  -129.2160-50.636.8-24.6000113.2K164P162-K164 PolarHBondContact O-N 3.39Å
163R35.5Very low34.1Very low258 Ų258151.7 Ų151.797%0.97480%0.797SS**  trans-61.5105.5169-105-179.7168.2172.9-3.7110.6K165R163-K165 PolarHBondContact O-N 3.33Å; R163-K165 VanDerWaalsContact O-N 3.13Å
164K31.1Very low33.9Very low207 Ų207152.6 Ų152.690%0.980%0.798SS**  trans-72.8103174.5-160.2167.9-171.4172.50110P162 R166P162-K164 PolarHBondContact O-N 3.39Å; K164-R166 PolarHBondContact O-N 2.62Å
165K36.2Very low33.7Very low186 Ų186152.1 Ų152.181%0.80980%0.796SS**  trans-54.5132.8166.6-78-177.8176.1178.60108.8R163R163-K165 PolarHBondContact O-N 3.33Å; R163-K165 VanDerWaalsContact O-N 3.13Å
166R30.7Very low34.2Very low253 Ų253149.2 Ų149.296%0.95580%0.796SS**  trans-109.167.5159.2-165173.3-173.4160.23.5109.9K164K164-R166 PolarHBondContact O-N 2.62Å
167S37.4Very low34.2Very low93 Ų93149 Ų14965%0.6580%0.796SS**  trans-95.898.5165.851.30000108.5
168E29.5Very low35.1Very low141 Ų141149.4 Ų149.466%0.65980%0.8SS**  trans-160114.8159.9-119.1-179.5-173.800108.8K170E168-K170 IonicContact OE1-NZ 3.25Å; E168-K170 PolarHBondContact OE1-NZ 2.91Å; E168-K170 VanDerWaalsContact OE2-CE 3.22Å; E168-K170 WeakPolarHBondContact OE2-CE 3.12Å; E168-K170 IonicContact OE2-NZ 2.65Å; E168-K170 PolarHBondContact OE2-NZ 2.84Å
169A41.8Very low35.5Very low101 Ų101143.9 Ų143.984%0.83579%0.794SS**  trans-81.9132.9158.800000107.1
170K38.7Very low36Very low154 Ų154138.6 Ų138.667%0.6779%0.787SS**  trans-123.4145169.2-80.1178.8167.8154.50109E168 A172E168-K170 IonicContact OE1-NZ 3.25Å; E168-K170 PolarHBondContact OE1-NZ 2.91Å; E168-K170 VanDerWaalsContact OE2-CE 3.22Å; E168-K170 WeakPolarHBondContact OE2-CE 3.12Å; E168-K170 IonicContact OE2-NZ 2.65Å; E168-K170 PolarHBondContact OE2-NZ 2.84Å; K170-A172 PolarHBondContact O-N 2.78Å
171H33.6Very low36.8Very low187 Ų187139.5 Ų139.587%0.86678%0.78SS**  trans-68.4121.7-168.7-70.2-142.5000109.2V173H171-V173 PolarHBondContact O-N 2.82Å
172A27Very low37.3Very low94 Ų94133.6 Ų133.678%0.77776%0.763SS**  trans-77.499.3161.400000107.3K170K170-A172 PolarHBondContact O-N 2.78Å
173V30.6Very low37.8Very low113 Ų113134.6 Ų134.669%0.68577%0.77SS**  trans-62.5132.1160.2176.80000106.7H171 D175H171-V173 PolarHBondContact O-N 2.82Å; V173-D175 PolarHBondContact O-N 3.05Å
174T31.2Very low39Very low131 Ų131126.2 Ų126.280%0.80476%0.763SS**  trans-89.992.3174.4510000108.7
175D26.6Very low40.6Very low141 Ų141120.2 Ų120.275%0.75474%0.744SS**  trans-62.8144.9165.9-61.3-54.4000109.7V173 D177V173-D175 PolarHBondContact O-N 3.05Å; D175-D177 VanDerWaalsContact C-N 3.33Å; D175-D177 PolarHBondContact O-N 3.12Å
176A42.6Very low42.4Very low106 Ų106120.2 Ų120.288%0.87674%0.744SS**SBendtrans-85.40.3-164.800000114.7
177D35.7Very low44.8Very low152 Ų152111 Ų11181%0.81372%0.717SS**  trans-101.4131.5-171.1-97.6-68000114.4D175 G179D175-D177 VanDerWaalsContact C-N 3.33Å; D175-D177 PolarHBondContact O-N 3.12Å; D177-G179 PolarHBondContact O-N 3.26Å
178G50.8Low47.2Very low89 Ų89109.8 Ų109.892%0.91870%0.701SS**  trans-82.272.3-176.800000113.8
179G45.8Very low50.1Low76 Ų76107.6 Ų107.678%0.78469%0.692SS**  trans-138135177.700000113.2D177D177-G179 PolarHBondContact O-N 3.26Å
180G39.6Very low52.5Low66 Ų66102.8 Ų102.868%0.6865%0.653SS**  cis-155.4161.7-5.600000112.6
181L52.5Low55Low71 Ų71104.4 Ų104.437%0.37266%0.663SS.*SBendtrans-75.8152.6162-54.7-171.1000108.6P187 R198L181-P187 HydrophobicContact CD1-CB 4.18Å; L181-R198 HydrophobicContact CD1-CG 4.13Å; L181-R198 HydrophobicContact CD2-CG 3.69Å
182S46.3Very low57.6Low69 Ų69100.7 Ų100.748%0.48365%0.646SS.*  trans-59.5132.8-174.6-55.30000110.9G184 R198S182-G184 PolarHBondContact O-N 2.95Å; S182-R198 PolarHBondContact OG-NH2 3.31Å
183P51.5Low60.7Low139 Ų13998.5 Ų98.590%0.90362%0.624SS**THydrogen-bonded Turntrans-64.7111.5-177.326.3-33.8000109.7
184G59.7Low63.5Low81 Ų8197.9 Ų97.984%0.83563%0.625SS**THydrogen-bonded Turntrans148.5-27.3-179.500000115S182S182-G184 PolarHBondContact O-N 2.95Å
185T64.6Low66.3Low81 Ų8193.2 Ų93.250%0.49760%0.6SS.*SBendtrans-112.9118.8175.556.20000112.3
186K73.8Confident69.4Low186 Ų18690.2 Ų90.281%0.80959%0.59SS**  trans-59.1128.6173.4-168.1176.4-173.5177.90108.8H188K186-H188 PolarHBondContact O-N 3.41Å
187P82.3Confident71.8Confident59 Ų5987.3 Ų87.338%0.38356%0.557SS.*  trans-61131.8-177.822.9-32.8000110.8L181 I189L181-P187 HydrophobicContact CD1-CB 4.18Å; P187-I189 HydrophobicContact CB-CG1 4.38Å; P187-I189 HydrophobicContact CG-CD1 4.48Å; P187-I189 PolarHBondContact O-N 3.16Å
188H87.6Confident74.4Confident69 Ų6986.8 Ų86.832%0.31954%0.544SS..EExtended strand (participates in β ladder)trans-83.894.2176.5-66.5-80.3000108.9K186 F197 S200 L203K186-H188 PolarHBondContact O-N 3.41Å; H188-F197 HydrophobicContact CB-CB 4.41Å; H188-F197 PolarHBondContact N-O 2.04Å; H188-F197 WeakPolarHBondContact O-CD2 3Å; H188-F197 PolarHBondContact O-N 3.28Å; H188-S200 PolarHBondContact CD2-N 3.18Å; H188-S200 PolarHBondContact NE2-N 3.24Å; H188-L203 HydrophobicContact CB-CB 3.93Å; H188-L203 HydrophobicContact CB-CD2 3.83Å
189I89.6Confident76.3Confident94 Ų9484.3 Ų84.348%0.48251%0.513SS..EExtended strand (participates in β ladder)trans-84.2140.8-175.7-62.1168.5000110.4P187 A195 L203P187-I189 HydrophobicContact CB-CG1 4.38Å; P187-I189 HydrophobicContact CG-CD1 4.48Å; P187-I189 PolarHBondContact O-N 3.16Å; I189-A195 CarbonylContact C-O 3.17Å; I189-A195 WeakPolarHBondContact CA-O 3.33Å; I189-L203 WeakPolarHBondContact O-CD2 3.04Å
190C93.3Very high78.5Confident1 Ų184 Ų841%0.00750%0.498CS..  trans-87.6122.2172.6-174.20000111.8H192 C193 S194 A195 F197 L203 H206 H210C190-H192 VanDerWaalsContact C-N 3.27Å; C190-H192 PolarHBondContact O-N 2.68Å; C190-C193 PolarHBondContact O-N 3.07Å; C190-S194 WeakPolarHBondContact O-CA 3.04Å; C190-S194 PolarHBondContact O-N 3.19Å; C190-A195 PolarHBondContact N-O 3.05Å; C190-F197 HydrophobicContact CB-CE2 4.16Å; C190-L203 VanDerWaalsContact CA-CD1 3.48Å; C190-L203 HydrophobicContact CB-CD1 3.52Å; C190-H206 VanDerWaalsContact SG-CD2 3.51Å; C190-H210 PolarHBondContact SG-NE2 3.05Å
191E90.1Very high80.9Confident188 Ų18887.5 Ų87.588%0.87949%0.492SS*.THydrogen-bonded Turntrans-62.6-32179.8-65.6168.1-17700112.7C193E191-C193 PolarHBondContact O-N 3.31Å
192H89.1Confident82.8Confident108 Ų10888 Ų8850%0.549%0.492SS..THydrogen-bonded Turntrans-77.4-15.8-178.7-55.3-55.3000115.2C190 H210C190-H192 VanDerWaalsContact C-N 3.27Å; C190-H192 PolarHBondContact O-N 2.68Å; H192-H210 HydrophobicContact CB-CB 4.18Å; H192-H210 VanDerWaalsContact CD2-CB 3.49Å; H192-H210 WeakPolarHBondContact CD2-CB 3.42Å; H192-H210 AromaticContact CD2-CD2 3.77Å; H192-H210 AromaticContact CD2-CG 3.71Å; H192-H210 AromaticContact CG-CG 3.91Å
193C92.3Very high85Confident48 Ų4886.2 Ų86.232%0.32448%0.477SS..THydrogen-bonded Turntrans-15716.9-175.868.70000115.9C190 E191 A195 H206 H210C190-C193 PolarHBondContact O-N 3.07Å; E191-C193 PolarHBondContact O-N 3.31Å; C193-A195 PolarHBondContact O-N 3.26Å; C193-H206 PolarHBondContact SG-NE2 2.76Å; C193-H210 WeakPolarHBondContact CB-CE1 3.06Å; C193-H210 PolarHBondContact SG-CE1 3.22Å; C193-H210 PolarHBondContact SG-NE2 3.12Å
194S89.1Confident86.9Confident100 Ų10088.4 Ų88.470%0.69947%0.468SS*.  trans51.66.6-176.665.90000117.6C190 S196C190-S194 WeakPolarHBondContact O-CA 3.04Å; C190-S194 PolarHBondContact O-N 3.19Å; S194-S196 PolarHBondContact O-N 3.3Å
195A90.4Very high88.4Confident34 Ų3487.8 Ų87.828%0.28144%0.44SS..  trans-64.112418000000112.1I189 C190 C193 F197I189-A195 CarbonylContact C-O 3.17Å; I189-A195 WeakPolarHBondContact CA-O 3.33Å; C190-A195 PolarHBondContact N-O 3.05Å; C193-A195 PolarHBondContact O-N 3.26Å; A195-F197 HydrophobicContact CB-CE2 3.79Å; A195-F197 HydrophobicContact CB-CZ 3.96Å; A195-F197 WeakPolarHBondContact O-CD2 3.33Å; A195-F197 VanDerWaalsContact O-CE2 3.27Å; A195-F197 WeakPolarHBondContact O-CE2 3.45Å
196S91.4Very high89.8Confident77 Ų7785.5 Ų85.554%0.53842%0.423SS..EExtended strand (participates in β ladder)trans-89.6130.4179.461.30000112.7S194S194-S196 PolarHBondContact O-N 3.3Å
197F91.9Very high90.7Very high45 Ų4578.7 Ų78.720%0.19740%0.397CS..EExtended strand (participates in β ladder)trans-115.6144.5178.4-62.1-84000112.1H188 C190 A195 S199 H202 L203 H206H188-F197 HydrophobicContact CB-CB 4.41Å; H188-F197 PolarHBondContact N-O 2.04Å; H188-F197 WeakPolarHBondContact O-CD2 3Å; H188-F197 PolarHBondContact O-N 3.28Å; C190-F197 HydrophobicContact CB-CE2 4.16Å; A195-F197 HydrophobicContact CB-CE2 3.79Å; A195-F197 HydrophobicContact CB-CZ 3.96Å; A195-F197 WeakPolarHBondContact O-CD2 3.33Å; A195-F197 VanDerWaalsContact O-CE2 3.27Å; A195-F197 WeakPolarHBondContact O-CE2 3.45Å; F197-S199 PolarHBondContact O-N 3.17Å; F197-S199 VanDerWaalsContact O-N 3.11Å; F197-H202 HydrophobicContact CB-CB 4.02Å; F197-H202 HydrophobicContact CD1-CB 4.01Å; F197-H202 HydrophobicContact CG-CB 4.29Å; F197-L203 HydrophobicContact CB-CB 4.27Å; F197-L203 HydrophobicContact CD2-CB 3.98Å; F197-L203 HydrophobicContact CD2-CD1 3.96Å; F197-L203 HydrophobicContact CE2-CD1 4.23Å; F197-L203 HydrophobicContact CG-CB 4.33Å; F197-H206 HydrophobicContact CE1-CB 4.09Å; F197-H206 HydrophobicContact CE2-CB 3.94Å; F197-H206 AromaticContact CE2-CD2 3.44Å; F197-H206 VanDerWaalsContact CE2-CD2 3.44Å; F197-H206 WeakPolarHBondContact CE2-CD2 3.31Å; F197-H206 AromaticContact CE2-CG 3.65Å; F197-H206 HydrophobicContact CZ-CB 3.59Å; F197-H206 AromaticContact CZ-CD2 3.51Å; F197-H206 AromaticContact CZ-CG 3.28Å; F197-H206 AromaticContact CZ-ND1 3.67Å
198R90.6Very high91.2Very high142 Ų14277.4 Ų77.454%0.53639%0.387SS..SBendtrans-70.30.2177.1-61-165.565.3125.6-0.8114.6L181 S182L181-R198 HydrophobicContact CD1-CG 4.13Å; L181-R198 HydrophobicContact CD2-CG 3.69Å; S182-R198 PolarHBondContact OG-NH2 3.31Å
199S91.6Very high91.5Very high37 Ų3779.1 Ų79.126%0.25940%0.397SS..SBendtrans-165137.6-168.7162.40000111.2F197 Y201 H202 L203F197-S199 PolarHBondContact O-N 3.17Å; F197-S199 VanDerWaalsContact O-N 3.11Å; S199-Y201 VanDerWaalsContact C-N 3.29Å; S199-Y201 PolarHBondContact O-N 3.46Å; S199-Y201 PolarHBondContact OG-N 3.41Å; S199-H202 WeakPolarHBondContact O-CB 3.3Å; S199-H202 PolarHBondContact O-N 2.84Å; S199-H202 PolarHBondContact OG-ND1 3.22Å; S199-L203 PolarHBondContact O-N 3.24Å; S199-L203 VanDerWaalsContact O-N 3.09Å
200S90.9Very high91.5Very high69 Ų6979 Ų7948%0.48340%0.395SS..Hα-helixtrans-57.1-37.8175.854.60000113.2H188 H202 L203 R204H188-S200 PolarHBondContact CD2-N 3.18Å; H188-S200 PolarHBondContact NE2-N 3.24Å; S200-H202 VanDerWaalsContact C-N 3.3Å; S200-H202 PolarHBondContact O-N 3.33Å; S200-L203 PolarHBondContact O-N 2.81Å; S200-R204 WeakPolarHBondContact O-CB 3.31Å; S200-R204 PolarHBondContact O-N 3.45Å
201Y90.8Very high91.4Very high140 Ų14082.2 Ų82.255%0.54941%0.414SS..Hα-helixtrans-59.9-40.8173.5172.8-93.3000111.9S199 R205S199-Y201 VanDerWaalsContact C-N 3.29Å; S199-Y201 PolarHBondContact O-N 3.46Å; S199-Y201 PolarHBondContact OG-N 3.41Å; Y201-R205 WeakPolarHBondContact O-CB 3.43Å; Y201-R205 PolarHBondContact O-N 3.16Å; Y201-R205 VanDerWaalsContact O-N 3.07Å
202H91.9Very high91.4Very high81 Ų8174.7 Ų74.738%0.37539%0.388SS..Hα-helixtrans-68.9-40.1178.6-74.870.9000111.6F197 S199 S200 R205 H206F197-H202 HydrophobicContact CB-CB 4.02Å; F197-H202 HydrophobicContact CD1-CB 4.01Å; F197-H202 HydrophobicContact CG-CB 4.29Å; S199-H202 WeakPolarHBondContact O-CB 3.3Å; S199-H202 PolarHBondContact O-N 2.84Å; S199-H202 PolarHBondContact OG-ND1 3.22Å; S200-H202 VanDerWaalsContact C-N 3.3Å; S200-H202 PolarHBondContact O-N 3.33Å; H202-R205 PolarHBondContact CD2-NH2 3.1Å; H202-R205 PolarHBondContact NE2-NH2 3.12Å; H202-H206 WeakPolarHBondContact O-CB 3.47Å; H202-H206 PolarHBondContact O-N 3.49Å; H202-H206 VanDerWaalsContact O-N 3.1Å
203L93.6Very high91.5Very high32 Ų3274.1 Ų74.117%0.16839%0.385CS..Hα-helixtrans-62.7-55.2172.2170.359.8000111.9H188 I189 C190 F197 S199 S200 R205 H206 V207H188-L203 HydrophobicContact CB-CB 3.93Å; H188-L203 HydrophobicContact CB-CD2 3.83Å; I189-L203 WeakPolarHBondContact O-CD2 3.04Å; C190-L203 VanDerWaalsContact CA-CD1 3.48Å; C190-L203 HydrophobicContact CB-CD1 3.52Å; F197-L203 HydrophobicContact CB-CB 4.27Å; F197-L203 HydrophobicContact CD2-CB 3.98Å; F197-L203 HydrophobicContact CD2-CD1 3.96Å; F197-L203 HydrophobicContact CE2-CD1 4.23Å; F197-L203 HydrophobicContact CG-CB 4.33Å; S199-L203 PolarHBondContact O-N 3.24Å; S199-L203 VanDerWaalsContact O-N 3.09Å; S200-L203 PolarHBondContact O-N 2.81Å; L203-R205 VanDerWaalsContact C-N 3.26Å; L203-R205 PolarHBondContact O-N 2.6Å; L203-H206 CarbonylContact O-C 3.59Å; L203-H206 WeakPolarHBondContact O-CA 3.33Å; L203-H206 WeakPolarHBondContact O-CB 3.34Å; L203-H206 PolarHBondContact O-N 3.5Å; L203-V207 HydrophobicContact CD1-CG2 3.93Å; L203-V207 HydrophobicContact CG-CG2 4.43Å; L203-V207 PolarHBondContact O-N 3.47Å
204R91.3Very high91.6Very high185 Ų18577.7 Ų77.770%0.69839%0.392SS*.Hα-helixtrans-55.1-44-178.4-172.9-176.8-69.2-171.3-2111.2S200 H206 V207 L208S200-R204 WeakPolarHBondContact O-CB 3.31Å; S200-R204 PolarHBondContact O-N 3.45Å; R204-H206 VanDerWaalsContact C-N 3.29Å; R204-H206 PolarHBondContact O-N 2.83Å; R204-V207 PolarHBondContact O-N 3.44Å; R204-L208 PolarHBondContact O-N 2.8Å
205R91.4Very high91.7Very high67 Ų6775.8 Ų75.825%0.25338%0.377SS..Hα-helixtrans-66.4-26.8176-172.918067.8177.6-13.5113.9Y201 H202 L203 I226 Q227Y201-R205 WeakPolarHBondContact O-CB 3.43Å; Y201-R205 PolarHBondContact O-N 3.16Å; Y201-R205 VanDerWaalsContact O-N 3.07Å; H202-R205 PolarHBondContact CD2-NH2 3.1Å; H202-R205 PolarHBondContact NE2-NH2 3.12Å; L203-R205 VanDerWaalsContact C-N 3.26Å; L203-R205 PolarHBondContact O-N 2.6Å; R205-I226 HydrophobicContact CG-CG2 4.31Å; R205-Q227 VanDerWaalsContact CD-OE1 3.28Å; R205-Q227 HydrophobicContact CG-CG 4.34Å
206H92.6Very high91.8Very high33 Ų3377.4 Ų77.415%0.15338%0.378CS..Hα-helixtrans-79.2-35.3173.3169.277.1000112.1C190 C193 F197 H202 L203 R204 L208 I209 H210C190-H206 VanDerWaalsContact SG-CD2 3.51Å; C193-H206 PolarHBondContact SG-NE2 2.76Å; F197-H206 HydrophobicContact CE1-CB 4.09Å; F197-H206 HydrophobicContact CE2-CB 3.94Å; F197-H206 AromaticContact CE2-CD2 3.44Å; F197-H206 VanDerWaalsContact CE2-CD2 3.44Å; F197-H206 WeakPolarHBondContact CE2-CD2 3.31Å; F197-H206 AromaticContact CE2-CG 3.65Å; F197-H206 HydrophobicContact CZ-CB 3.59Å; F197-H206 AromaticContact CZ-CD2 3.51Å; F197-H206 AromaticContact CZ-CG 3.28Å; F197-H206 AromaticContact CZ-ND1 3.67Å; H202-H206 WeakPolarHBondContact O-CB 3.47Å; H202-H206 PolarHBondContact O-N 3.49Å; H202-H206 VanDerWaalsContact O-N 3.1Å; L203-H206 CarbonylContact O-C 3.59Å; L203-H206 WeakPolarHBondContact O-CA 3.33Å; L203-H206 WeakPolarHBondContact O-CB 3.34Å; L203-H206 PolarHBondContact O-N 3.5Å; R204-H206 VanDerWaalsContact C-N 3.29Å; R204-H206 PolarHBondContact O-N 2.83Å; H206-L208 PolarHBondContact O-N 3.23Å; H206-I209 WeakPolarHBondContact O-CB 3.13Å; H206-I209 WeakPolarHBondContact O-CG1 3.34Å; H206-I209 PolarHBondContact O-N 2.95Å; H206-H210 AromaticContact CD2-NE2 3.17Å; H206-H210 PolarHBondContact CD2-NE2 3.09Å; H206-H210 AromaticContact CE1-NE2 2.9Å; H206-H210 PolarHBondContact CE1-NE2 3.24Å; H206-H210 AromaticContact ND1-NE2 3.98Å; H206-H210 AromaticContact NE2-CD2 3.65Å; H206-H210 AromaticContact NE2-NE2 2.18Å; H206-H210 PolarHBondContact NE2-NE2 3.16Å
207V92.7Very high91.9Very high43 Ų4381.7 Ų81.726%0.26139%0.387SS..Hα-helixtrans-59-34.6174.6172.60000111.9L203 R204 I209 H210 T211L203-V207 HydrophobicContact CD1-CG2 3.93Å; L203-V207 HydrophobicContact CG-CG2 4.43Å; L203-V207 PolarHBondContact O-N 3.47Å; R204-V207 PolarHBondContact O-N 3.44Å; V207-I209 PolarHBondContact O-N 3.37Å; V207-H210 WeakPolarHBondContact O-CA 3.46Å; V207-H210 WeakPolarHBondContact O-CB 3.16Å; V207-H210 PolarHBondContact O-N 3.34Å; V207-T211 HydrophobicContact CG1-CG2 4.08Å; V207-T211 PolarHBondContact O-N 3.38Å
208L93.8Very high92.1Very high33 Ų3380 Ų8017%0.17338%0.381CS..Hα-helixtrans-58-17.2171.4-60.8174.4000114.3R204 H206 G212 E213 I226R204-L208 PolarHBondContact O-N 2.8Å; H206-L208 PolarHBondContact O-N 3.23Å; L208-G212 CarbonylContact O-C 3.59Å; L208-G212 PolarHBondContact O-N 3.49Å; L208-E213 HydrophobicContact CD2-CB 3.69Å; L208-E213 WeakPolarHBondContact CD2-OE2 3.26Å; L208-E213 PolarHBondContact O-N 3.18Å; L208-I226 HydrophobicContact CB-CG2 3.75Å; L208-I226 HydrophobicContact CD1-CG2 3.79Å; L208-I226 HydrophobicContact CG-CG2 4.43Å
209I92.3Very high92.2Very high104 Ų10478.4 Ų78.453%0.53339%0.391SS..Hα-helixtrans-77.1-33.8172.7-54.4173.9000110.6H206 V207 I226H206-I209 WeakPolarHBondContact O-CB 3.13Å; H206-I209 WeakPolarHBondContact O-CG1 3.34Å; H206-I209 PolarHBondContact O-N 2.95Å; V207-I209 PolarHBondContact O-N 3.37Å; I209-I226 HydrophobicContact CB-CD1 4.47Å; I209-I226 HydrophobicContact CG1-CD1 3.74Å
210H91.4Very high92.1Very high92 Ų9282.4 Ų82.443%0.42641%0.406SS..Hα-helixtrans-82.6-44.6179.7-64.8-72.9000112.4C190 H192 C193 H206 V207 G212C190-H210 PolarHBondContact SG-NE2 3.05Å; H192-H210 HydrophobicContact CB-CB 4.18Å; H192-H210 VanDerWaalsContact CD2-CB 3.49Å; H192-H210 WeakPolarHBondContact CD2-CB 3.42Å; H192-H210 AromaticContact CD2-CD2 3.77Å; H192-H210 AromaticContact CD2-CG 3.71Å; H192-H210 AromaticContact CG-CG 3.91Å; C193-H210 WeakPolarHBondContact CB-CE1 3.06Å; C193-H210 PolarHBondContact SG-CE1 3.22Å; C193-H210 PolarHBondContact SG-NE2 3.12Å; H206-H210 AromaticContact CD2-NE2 3.17Å; H206-H210 PolarHBondContact CD2-NE2 3.09Å; H206-H210 AromaticContact CE1-NE2 2.9Å; H206-H210 PolarHBondContact CE1-NE2 3.24Å; H206-H210 AromaticContact ND1-NE2 3.98Å; H206-H210 AromaticContact NE2-CD2 3.65Å; H206-H210 AromaticContact NE2-NE2 2.18Å; H206-H210 PolarHBondContact NE2-NE2 3.16Å; V207-H210 WeakPolarHBondContact O-CA 3.46Å; V207-H210 WeakPolarHBondContact O-CB 3.16Å; V207-H210 PolarHBondContact O-N 3.34Å; H210-G212 PolarHBondContact O-N 2.94Å
211T90.7Very high92.2Very high68 Ų6880.4 Ų80.442%0.41739%0.392SS..SBendtrans-70.4-14.6173.367.50000112.4V207 E213V207-T211 HydrophobicContact CG1-CG2 4.08Å; V207-T211 PolarHBondContact O-N 3.38Å; T211-E213 VanDerWaalsContact CB-OE1 3.24Å; T211-E213 WeakPolarHBondContact CB-OE1 3.44Å; T211-E213 PolarHBondContact O-N 2.93Å; T211-E213 WeakPolarHBondContact OG1-CB 3.34Å; T211-E213 VanDerWaalsContact OG1-CD 3.27Å; T211-E213 WeakPolarHBondContact OG1-CG 3.35Å; T211-E213 PolarHBondContact OG1-OE1 2.76Å
212G90.5Very high92.2Very high31 Ų3180.7 Ų80.732%0.3240%0.403SS..  trans73.7-2-177.800000114.3L208 H210 R214L208-G212 CarbonylContact O-C 3.59Å; L208-G212 PolarHBondContact O-N 3.49Å; H210-G212 PolarHBondContact O-N 2.94Å; G212-R214 PolarHBondContact O-NH1 2.99Å
213E91.4Very high92.2Very high96 Ų9679.1 Ų79.145%0.44940%0.396SS..  trans-57136-179-79.6168.8-120.100112.7L208 T211L208-E213 HydrophobicContact CD2-CB 3.69Å; L208-E213 WeakPolarHBondContact CD2-OE2 3.26Å; L208-E213 PolarHBondContact O-N 3.18Å; T211-E213 VanDerWaalsContact CB-OE1 3.24Å; T211-E213 WeakPolarHBondContact CB-OE1 3.44Å; T211-E213 PolarHBondContact O-N 2.93Å; T211-E213 WeakPolarHBondContact OG1-CB 3.34Å; T211-E213 VanDerWaalsContact OG1-CD 3.27Å; T211-E213 WeakPolarHBondContact OG1-CG 3.35Å; T211-E213 PolarHBondContact OG1-OE1 2.76Å
214R92.5Very high92.3Very high122 Ų12279.2 Ų79.246%0.4640%0.4SS..  trans-139.580.3-174.6-77.9165.5163.693.7-4109.1G212 F216 S224 F225 I226G212-R214 PolarHBondContact O-NH1 2.99Å; R214-F216 PolarHBondContact O-N 2.66Å; R214-S224 VanDerWaalsContact CB-OG 3.26Å; R214-S224 WeakPolarHBondContact CB-OG 3.17Å; R214-S224 VanDerWaalsContact CD-O 3.26Å; R214-S224 WeakPolarHBondContact CD-O 3.46Å; R214-S224 WeakPolarHBondContact CD-OG 3.4Å; R214-S224 PolarHBondContact NE-O 2.94Å; R214-F225 CarbonylContact C-O 3.28Å; R214-F225 VanDerWaalsContact C-O 3.28Å; R214-F225 WeakPolarHBondContact CA-O 3.47Å; R214-I226 HydrophobicContact CG-CG1 4Å
215P91.5Very high92.4Very high61 Ų6172 Ų7240%0.39637%0.373SS..  trans-59.8-31.2-173.1-2635.7000113.6K217P215-K217 PolarHBondContact O-N 3.11Å
216F94.1Very high92.5Very high68 Ų6870.3 Ų70.330%0.29837%0.369SS..EExtended strand (participates in β ladder)trans-91.686.1-173.7-55-79.9000110.6R214 S224 F225 I226 Q227 K228 L231R214-F216 PolarHBondContact O-N 2.66Å; F216-S224 CarbonylContact O-C 3.52Å; F216-S224 WeakPolarHBondContact O-CA 3.47Å; F216-F225 HydrophobicContact CB-CB 4.37Å; F216-F225 WeakPolarHBondContact CB-O 3.42Å; F216-F225 WeakPolarHBondContact CD2-O 3.43Å; F216-F225 PolarHBondContact N-O 3Å; F216-F225 VanDerWaalsContact N-O 3.07Å; F216-F225 PolarHBondContact O-N 3.41Å; F216-I226 WeakPolarHBondContact CE2-O 3.31Å; F216-Q227 VanDerWaalsContact CD2-C 3.45Å; F216-K228 HydrophobicContact CD1-CB 3.82Å; F216-K228 HydrophobicContact CD1-CG 4.23Å; F216-K228 HydrophobicContact CE1-CB 3.72Å; F216-K228 HydrophobicContact CE1-CG 4.3Å; F216-K228 HydrophobicContact CG-CB 4.37Å; F216-K228 HydrophobicContact CZ-CB 4.2Å; F216-L231 HydrophobicContact CB-CB 4.09Å; F216-L231 HydrophobicContact CB-CD2 3.9Å
217K93.5Very high92.5Very high166 Ų16670.1 Ų70.172%0.72237%0.368SS*.EExtended strand (participates in β ladder)trans-76.6142.4173.1-59.2175.1-175.5174.10110.4P215 L231P215-K217 PolarHBondContact O-N 3.11Å; K217-L231 WeakPolarHBondContact O-CD2 3.49Å
218C95.1Very high92.5Very high11 Ų1175.5 Ų75.57%0.07439%0.388CS..  trans-83.3141.6170.2-173.90000110.3C221 M223 L231 H238C218-C221 WeakPolarHBondContact CB-O 3.44Å; C218-M223 PolarHBondContact N-O 3.02Å; C218-L231 VanDerWaalsContact CA-CD1 3.5Å; C218-L231 HydrophobicContact CB-CD1 3.47Å; C218-L231 VanDerWaalsContact CB-CD1 3.47Å; C218-H238 PolarHBondContact SG-NE2 3.05Å; C218-H238 VanDerWaalsContact SG-NE2 3.37Å
219S91.9Very high92.4Very high107 Ų10779.2 Ų79.275%0.74840%0.401SS*.SBendtrans-73.3-36.217549.70000112.5
220Q90.8Very high92.5Very high121 Ų12176.7 Ų76.757%0.56539%0.388SS*.SBendtrans-85.6-12.2-172.8-56.8-173.518.400113.7
221C93.1Very high92.6Very high28 Ų2873.2 Ų73.219%0.18937%0.372CS..SBendtrans-160.8161166.4770000111.6C218 M223 H234 H238C218-C221 WeakPolarHBondContact CB-O 3.44Å; C221-M223 PolarHBondContact O-N 2.9Å; C221-H234 PolarHBondContact SG-NE2 3.36Å; C221-H238 WeakPolarHBondContact CB-CE1 3.16Å; C221-H238 PolarHBondContact SG-CE1 3.28Å; C221-H238 PolarHBondContact SG-NE2 3.4Å
222N90.7Very high92.7Very high146 Ų14675.6 Ų75.678%0.78138%0.379SS*.SBendtrans-67.922.7-177.6-58.9-11.8000114.9R454N222-R454 PolarHBondContact O-NH1 3.24Å; N222-R454 PolarHBondContact O-NH2 3.38Å
223M92.4Very high92.8Very high47 Ų4778.5 Ų78.523%0.23238%0.38CS..  trans-76.9142.1170.2-78.6-57.2-57.100110.1C218 C221 F225C218-M223 PolarHBondContact N-O 3.02Å; C221-M223 PolarHBondContact O-N 2.9Å; M223-F225 HydrophobicContact CB-CE2 3.76Å; M223-F225 HydrophobicContact CB-CZ 3.83Å; M223-F225 HydrophobicContact CE-CE1 4.21Å; M223-F225 HydrophobicContact CE-CZ 4.02Å; M223-F225 HydrophobicContact CG-CZ 4.45Å
224S94.3Very high92.8Very high35 Ų3574.8 Ų74.825%0.24536%0.363CS..EExtended strand (participates in β ladder)trans-133.9151.3175.558.90000111.4R214 F216R214-S224 VanDerWaalsContact CB-OG 3.26Å; R214-S224 WeakPolarHBondContact CB-OG 3.17Å; R214-S224 VanDerWaalsContact CD-O 3.26Å; R214-S224 WeakPolarHBondContact CD-O 3.46Å; R214-S224 WeakPolarHBondContact CD-OG 3.4Å; R214-S224 PolarHBondContact NE-O 2.94Å; F216-S224 CarbonylContact O-C 3.52Å; F216-S224 WeakPolarHBondContact O-CA 3.47Å
225F93.5Very high92.8Very high33 Ų3372 Ų7215%0.14536%0.355CS..EExtended strand (participates in β ladder)trans-133.5153.2-169.8-57.4-84.8000112.1R214 F216 M223 Q227 L230 L231 H234R214-F225 CarbonylContact C-O 3.28Å; R214-F225 VanDerWaalsContact C-O 3.28Å; R214-F225 WeakPolarHBondContact CA-O 3.47Å; F216-F225 HydrophobicContact CB-CB 4.37Å; F216-F225 WeakPolarHBondContact CB-O 3.42Å; F216-F225 WeakPolarHBondContact CD2-O 3.43Å; F216-F225 PolarHBondContact N-O 3Å; F216-F225 VanDerWaalsContact N-O 3.07Å; F216-F225 PolarHBondContact O-N 3.41Å; M223-F225 HydrophobicContact CB-CE2 3.76Å; M223-F225 HydrophobicContact CB-CZ 3.83Å; M223-F225 HydrophobicContact CE-CE1 4.21Å; M223-F225 HydrophobicContact CE-CZ 4.02Å; M223-F225 HydrophobicContact CG-CZ 4.45Å; F225-Q227 VanDerWaalsContact C-N 3.31Å; F225-L230 HydrophobicContact CB-CB 4Å; F225-L230 HydrophobicContact CD1-CB 3.93Å; F225-L230 HydrophobicContact CG-CB 4.15Å; F225-L231 HydrophobicContact CB-CB 4.45Å; F225-L231 HydrophobicContact CD2-CB 3.88Å; F225-L231 HydrophobicContact CD2-CD1 4.01Å; F225-L231 HydrophobicContact CE2-CD1 4.14Å; F225-L231 HydrophobicContact CG-CB 4.4Å; F225-H234 HydrophobicContact CE1-CB 4.17Å; F225-H234 HydrophobicContact CE2-CB 3.81Å; F225-H234 AromaticContact CE2-CD2 3.43Å; F225-H234 VanDerWaalsContact CE2-CD2 3.43Å; F225-H234 WeakPolarHBondContact CE2-CD2 3.4Å; F225-H234 AromaticContact CE2-CG 3.66Å; F225-H234 HydrophobicContact CZ-CB 3.49Å; F225-H234 VanDerWaalsContact CZ-CB 3.49Å; F225-H234 AromaticContact CZ-CD2 3.54Å; F225-H234 AromaticContact CZ-CG 3.32Å; F225-H234 AromaticContact CZ-ND1 3.84Å
226I93.5Very high92.9Very high31 Ų3171.8 Ų71.816%0.15935%0.348CS..SBendtrans-77.1-18.3178.6-59.4179.2000111.6R205 L208 I209 R214 F216R205-I226 HydrophobicContact CG-CG2 4.31Å; L208-I226 HydrophobicContact CB-CG2 3.75Å; L208-I226 HydrophobicContact CD1-CG2 3.79Å; L208-I226 HydrophobicContact CG-CG2 4.43Å; I209-I226 HydrophobicContact CB-CD1 4.47Å; I209-I226 HydrophobicContact CG1-CD1 3.74Å; R214-I226 HydrophobicContact CG-CG1 4Å; F216-I226 WeakPolarHBondContact CE2-O 3.31Å
227Q92.7Very high92.8Very high30 Ų3071 Ų7114%0.1435%0.346CS..SBendtrans-143.3139.8-174.9-59.7-177.285.300112.4R205 F216 F225 Y229 L230 L231R205-Q227 VanDerWaalsContact CD-OE1 3.28Å; R205-Q227 HydrophobicContact CG-CG 4.34Å; F216-Q227 VanDerWaalsContact CD2-C 3.45Å; F225-Q227 VanDerWaalsContact C-N 3.31Å; Q227-Y229 VanDerWaalsContact C-N 3.3Å; Q227-Y229 HydrophobicContact CB-CD1 4.06Å; Q227-Y229 HydrophobicContact CB-CE1 4.03Å; Q227-Y229 VanDerWaalsContact CD-CE1 3.48Å; Q227-Y229 HydrophobicContact CG-CE1 4.38Å; Q227-Y229 PolarHBondContact NE2-OH 3.14Å; Q227-Y229 PolarHBondContact O-N 3.42Å; Q227-Y229 VanDerWaalsContact OE1-CE1 3.26Å; Q227-L230 HydrophobicContact CB-CD1 4.09Å; Q227-L230 HydrophobicContact CB-CG 4.25Å; Q227-L230 HydrophobicContact CG-CD1 4.44Å; Q227-L230 WeakPolarHBondContact O-CB 3.43Å; Q227-L230 PolarHBondContact O-N 3.49Å; Q227-L231 PolarHBondContact O-N 2.83Å
228K92.8Very high92.7Very high155 Ų15567.1 Ų67.167%0.67433%0.33SS*.Hα-helixtrans-53.9-39.3179.8-166.8172.5-179.3175.50113.8F216 L230 L231 Q232F216-K228 HydrophobicContact CD1-CB 3.82Å; F216-K228 HydrophobicContact CD1-CG 4.23Å; F216-K228 HydrophobicContact CE1-CB 3.72Å; F216-K228 HydrophobicContact CE1-CG 4.3Å; F216-K228 HydrophobicContact CG-CB 4.37Å; F216-K228 HydrophobicContact CZ-CB 4.2Å; K228-L230 VanDerWaalsContact C-N 3.27Å; K228-L230 PolarHBondContact O-N 3.2Å; K228-L231 WeakPolarHBondContact O-CB 3.41Å; K228-L231 PolarHBondContact O-N 2.2Å; K228-Q232 PolarHBondContact O-N 2.68Å
229Y92.1Very high92.4Very high112 Ų11269.7 Ų69.744%0.43935%0.348SS..Hα-helixtrans-68.5-23.7178.383.2-104.6000113.5Q227 R233Q227-Y229 VanDerWaalsContact C-N 3.3Å; Q227-Y229 HydrophobicContact CB-CD1 4.06Å; Q227-Y229 HydrophobicContact CB-CE1 4.03Å; Q227-Y229 VanDerWaalsContact CD-CE1 3.48Å; Q227-Y229 HydrophobicContact CG-CE1 4.38Å; Q227-Y229 PolarHBondContact NE2-OH 3.14Å; Q227-Y229 PolarHBondContact O-N 3.42Å; Q227-Y229 VanDerWaalsContact OE1-CE1 3.26Å; Y229-R233 WeakPolarHBondContact O-CB 3.2Å; Y229-R233 PolarHBondContact O-N 2.62Å; Y229-R233 VanDerWaalsContact O-N 3.09Å
230L93.5Very high92.2Very high51 Ų5166.4 Ų66.427%0.26733%0.332SS..Hα-helixtrans-75.7-38.2175.1-67.7171.8000110.4F225 Q227 K228 H234F225-L230 HydrophobicContact CB-CB 4Å; F225-L230 HydrophobicContact CD1-CB 3.93Å; F225-L230 HydrophobicContact CG-CB 4.15Å; Q227-L230 HydrophobicContact CB-CD1 4.09Å; Q227-L230 HydrophobicContact CB-CG 4.25Å; Q227-L230 HydrophobicContact CG-CD1 4.44Å; Q227-L230 WeakPolarHBondContact O-CB 3.43Å; Q227-L230 PolarHBondContact O-N 3.49Å; K228-L230 VanDerWaalsContact C-N 3.27Å; K228-L230 PolarHBondContact O-N 3.2Å; L230-H234 WeakPolarHBondContact O-CB 3.32Å; L230-H234 PolarHBondContact O-N 3.17Å
231L94.4Very high92.1Very high18 Ų1864.8 Ų64.89%0.09432%0.324CS..Hα-helixtrans-61.7-53.4169.9171.358.4000111.1F216 K217 C218 F225 Q227 K228 R233 H234 E235F216-L231 HydrophobicContact CB-CB 4.09Å; F216-L231 HydrophobicContact CB-CD2 3.9Å; K217-L231 WeakPolarHBondContact O-CD2 3.49Å; C218-L231 VanDerWaalsContact CA-CD1 3.5Å; C218-L231 HydrophobicContact CB-CD1 3.47Å; C218-L231 VanDerWaalsContact CB-CD1 3.47Å; F225-L231 HydrophobicContact CB-CB 4.45Å; F225-L231 HydrophobicContact CD2-CB 3.88Å; F225-L231 HydrophobicContact CD2-CD1 4.01Å; F225-L231 HydrophobicContact CE2-CD1 4.14Å; F225-L231 HydrophobicContact CG-CB 4.4Å; Q227-L231 PolarHBondContact O-N 2.83Å; K228-L231 WeakPolarHBondContact O-CB 3.41Å; K228-L231 PolarHBondContact O-N 2.2Å; L231-R233 PolarHBondContact O-N 3.36Å; L231-R233 VanDerWaalsContact O-N 3.16Å; L231-H234 CarbonylContact O-C 3.43Å; L231-H234 WeakPolarHBondContact O-CA 3.49Å; L231-H234 WeakPolarHBondContact O-CB 3.18Å; L231-H234 PolarHBondContact O-N 3.16Å; L231-E235 HydrophobicContact CD1-CG 3.96Å; L231-E235 VanDerWaalsContact CD1-OE1 3.3Å; L231-E235 WeakPolarHBondContact CD1-OE1 3.36Å; L231-E235 HydrophobicContact CG-CG 4.42Å; L231-E235 WeakPolarHBondContact CG-OE1 3.28Å; L231-E235 WeakPolarHBondContact O-CG 3.45Å; L231-E235 PolarHBondContact O-N 2.81Å
232Q92.1Very high92Very high119 Ų11968.2 Ų68.256%0.55634%0.336SS*.Hα-helixtrans-58.4-33178.8-164.8-171.520.100113.3K228 E235K228-Q232 PolarHBondContact O-N 2.68Å; Q232-E235 WeakPolarHBondContact CA-OE2 3.47Å
233R92Very high92Very high92 Ų9264.6 Ų64.635%0.34732%0.32SS..Hα-helixtrans-72-31.4173.2179.8-172.3-62.5-153.110.5112.8Y229 L231 Q255Y229-R233 WeakPolarHBondContact O-CB 3.2Å; Y229-R233 PolarHBondContact O-N 2.62Å; Y229-R233 VanDerWaalsContact O-N 3.09Å; L231-R233 PolarHBondContact O-N 3.36Å; L231-R233 VanDerWaalsContact O-N 3.16Å; R233-Q255 HydrophobicContact CG-CG 4.29Å
234H93.5Very high92Very high18 Ų1865.7 Ų65.78%0.08332%0.324CS..Hα-helixtrans-77.9-35.3176.3170.369.4000112.1C221 F225 L230 L231 K236 I237 H238C221-H234 PolarHBondContact SG-NE2 3.36Å; F225-H234 HydrophobicContact CE1-CB 4.17Å; F225-H234 HydrophobicContact CE2-CB 3.81Å; F225-H234 AromaticContact CE2-CD2 3.43Å; F225-H234 VanDerWaalsContact CE2-CD2 3.43Å; F225-H234 WeakPolarHBondContact CE2-CD2 3.4Å; F225-H234 AromaticContact CE2-CG 3.66Å; F225-H234 HydrophobicContact CZ-CB 3.49Å; F225-H234 VanDerWaalsContact CZ-CB 3.49Å; F225-H234 AromaticContact CZ-CD2 3.54Å; F225-H234 AromaticContact CZ-CG 3.32Å; F225-H234 AromaticContact CZ-ND1 3.84Å; L230-H234 WeakPolarHBondContact O-CB 3.32Å; L230-H234 PolarHBondContact O-N 3.17Å; L231-H234 CarbonylContact O-C 3.43Å; L231-H234 WeakPolarHBondContact O-CA 3.49Å; L231-H234 WeakPolarHBondContact O-CB 3.18Å; L231-H234 PolarHBondContact O-N 3.16Å; H234-K236 PolarHBondContact O-N 2.93Å; H234-I237 WeakPolarHBondContact O-CA 3.27Å; H234-I237 WeakPolarHBondContact O-CB 3.46Å; H234-I237 WeakPolarHBondContact O-CG1 3.35Å; H234-I237 PolarHBondContact O-N 2.81Å; H234-H238 AromaticContact CD2-NE2 2.96Å; H234-H238 PolarHBondContact CD2-NE2 3.45Å; H234-H238 AromaticContact CE1-NE2 2.81Å; H234-H238 PolarHBondContact CE1-NE2 2.75Å; H234-H238 AromaticContact CG-NE2 3.86Å; H234-H238 AromaticContact ND1-NE2 3.77Å; H234-H238 AromaticContact NE2-CD2 3.91Å; H234-H238 AromaticContact NE2-NE2 2.14Å; H234-H238 PolarHBondContact NE2-NE2 3.25Å
235E92.4Very high91.9Very high62 Ų6265.4 Ų65.429%0.2933%0.326SS..Hα-helixtrans-58.7-35.8175.5-73163.3166.900111.8L231 Q232 I237 H238 S239L231-E235 HydrophobicContact CD1-CG 3.96Å; L231-E235 VanDerWaalsContact CD1-OE1 3.3Å; L231-E235 WeakPolarHBondContact CD1-OE1 3.36Å; L231-E235 HydrophobicContact CG-CG 4.42Å; L231-E235 WeakPolarHBondContact CG-OE1 3.28Å; L231-E235 WeakPolarHBondContact O-CG 3.45Å; L231-E235 PolarHBondContact O-N 2.81Å; Q232-E235 WeakPolarHBondContact CA-OE2 3.47Å; E235-I237 PolarHBondContact O-N 2.81Å; E235-I237 VanDerWaalsContact O-N 3.12Å; E235-H238 PolarHBondContact O-N 3.36Å; E235-S239 PolarHBondContact O-N 2.95Å
236K93Very high91.9Very high58 Ų5864.4 Ų64.425%0.25232%0.323SS..Hα-helixtrans-63.7-11171.3-65.2-172.9-177.5-57.50115.5H234 S239 E241 I254H234-K236 PolarHBondContact O-N 2.93Å; K236-S239 WeakPolarHBondContact CA-OG 3.33Å; K236-E241 HydrophobicContact CB-CB 4.16Å; K236-E241 HydrophobicContact CD-CB 4.46Å; K236-E241 HydrophobicContact CG-CB 4.18Å; K236-E241 IonicContact NZ-OE1 3.55Å; K236-E241 IonicContact NZ-OE2 2.58Å; K236-E241 PolarHBondContact NZ-OE2 3.31Å; K236-E241 PolarHBondContact O-N 3.31Å; K236-I254 HydrophobicContact CB-CG2 3.62Å; K236-I254 HydrophobicContact CD-CG2 4.35Å
237I91.6Very high91.8Very high51 Ų5169.3 Ų69.326%0.26235%0.35SS..Hα-helixtrans-77.6-38.8170-53.3176.5000109.6H234 E235 I254 M447H234-I237 WeakPolarHBondContact O-CA 3.27Å; H234-I237 WeakPolarHBondContact O-CB 3.46Å; H234-I237 WeakPolarHBondContact O-CG1 3.35Å; H234-I237 PolarHBondContact O-N 2.81Å; E235-I237 PolarHBondContact O-N 2.81Å; E235-I237 VanDerWaalsContact O-N 3.12Å; I237-I254 HydrophobicContact CB-CD1 4.26Å; I237-I254 HydrophobicContact CG1-CD1 3.7Å; I237-M447 HydrophobicContact CD1-CE 4.26Å; I237-M447 HydrophobicContact CD1-SD 4.32Å; I237-M447 HydrophobicContact CG2-CE 3.98Å
238H90.5Very high91.6Very high85 Ų8573.7 Ų73.739%0.39437%0.37SS..Hα-helixtrans-78.6-41.2179.1-55.3-73.4000112.4C218 C221 H234 E235 G240C218-H238 PolarHBondContact SG-NE2 3.05Å; C218-H238 VanDerWaalsContact SG-NE2 3.37Å; C221-H238 WeakPolarHBondContact CB-CE1 3.16Å; C221-H238 PolarHBondContact SG-CE1 3.28Å; C221-H238 PolarHBondContact SG-NE2 3.4Å; H234-H238 AromaticContact CD2-NE2 2.96Å; H234-H238 PolarHBondContact CD2-NE2 3.45Å; H234-H238 AromaticContact CE1-NE2 2.81Å; H234-H238 PolarHBondContact CE1-NE2 2.75Å; H234-H238 AromaticContact CG-NE2 3.86Å; H234-H238 AromaticContact ND1-NE2 3.77Å; H234-H238 AromaticContact NE2-CD2 3.91Å; H234-H238 AromaticContact NE2-NE2 2.14Å; H234-H238 PolarHBondContact NE2-NE2 3.25Å; E235-H238 PolarHBondContact O-N 3.36Å; H238-G240 PolarHBondContact O-N 3.46Å; H238-G240 VanDerWaalsContact O-N 3.16Å
239S88.8Confident91.6Very high64 Ų6467.9 Ų67.945%0.44835%0.349SS..SBendtrans-70.6-4.9173.369.30000113.7E235 K236 E241E235-S239 PolarHBondContact O-N 2.95Å; K236-S239 WeakPolarHBondContact CA-OG 3.33Å; S239-E241 PolarHBondContact O-N 2.8Å; S239-E241 WeakPolarHBondContact OG-CB 3.4Å; S239-E241 VanDerWaalsContact OG-CG 3.29Å; S239-E241 WeakPolarHBondContact OG-CG 3.47Å; S239-E241 PolarHBondContact OG-OE1 2.86Å
240G89.1Confident91.4Very high39 Ų3970.5 Ų70.540%0.40237%0.37SS..  trans66.92.7-177.600000114.9H238 K242H238-G240 PolarHBondContact O-N 3.46Å; H238-G240 VanDerWaalsContact O-N 3.16Å; G240-K242 WeakPolarHBondContact O-CG 3.08Å; G240-K242 PolarHBondContact O-N 3.47Å
241E88.9Confident91.3Very high87 Ų8772.8 Ų72.841%0.40738%0.381SS..  trans-58.2103.4-174.6-85.1177.4-100.300112.9K236 S239 P243K236-E241 HydrophobicContact CB-CB 4.16Å; K236-E241 HydrophobicContact CD-CB 4.46Å; K236-E241 HydrophobicContact CG-CB 4.18Å; K236-E241 IonicContact NZ-OE1 3.55Å; K236-E241 IonicContact NZ-OE2 2.58Å; K236-E241 PolarHBondContact NZ-OE2 3.31Å; K236-E241 PolarHBondContact O-N 3.31Å; S239-E241 PolarHBondContact O-N 2.8Å; S239-E241 WeakPolarHBondContact OG-CB 3.4Å; S239-E241 VanDerWaalsContact OG-CG 3.29Å; S239-E241 WeakPolarHBondContact OG-CG 3.47Å; S239-E241 PolarHBondContact OG-OE1 2.86Å; E241-P243 WeakPolarHBondContact O-CD 3.44Å
242K91Very high91.3Very high100 Ų10079.1 Ų79.144%0.43540%0.404SS..  trans-11275.7175.2-67.8156.7-176.4171.60110G240 F244 R252 F253 I254G240-K242 WeakPolarHBondContact O-CG 3.08Å; G240-K242 PolarHBondContact O-N 3.47Å; K242-F244 VanDerWaalsContact C-N 3.3Å; K242-F244 PolarHBondContact O-N 2.88Å; K242-R252 HydrophobicContact CB-CB 3.51Å; K242-R252 HydrophobicContact CD-CB 4.41Å; K242-R252 HydrophobicContact CG-CB 4.45Å; K242-R252 PolarHBondContact O-NE 3.19Å; K242-R252 PolarHBondContact O-NH2 3.31Å; K242-F253 CarbonylContact C-O 3.57Å; K242-F253 WeakPolarHBondContact CA-O 3.35Å; K242-I254 HydrophobicContact CG-CG1 4.02Å
243P89.9Confident91.3Very high69 Ų6975.6 Ų75.645%0.44839%0.386SS..  trans-69.3-22.8-176.426.6-34.6000113.7E241 G245E241-P243 WeakPolarHBondContact O-CD 3.44Å; P243-G245 PolarHBondContact O-N 3.36Å
244F92.3Very high91.3Very high71 Ų7172 Ų7231%0.31137%0.374SS..EExtended strand (participates in β ladder)trans-97.592.9-177-54.6-74.2000111.3K242 F253 I254 Q255 K256 M259K242-F244 VanDerWaalsContact C-N 3.3Å; K242-F244 PolarHBondContact O-N 2.88Å; F244-F253 HydrophobicContact CB-CB 4.5Å; F244-F253 PolarHBondContact N-O 2.82Å; F244-F253 PolarHBondContact O-N 3.09Å; F244-I254 WeakPolarHBondContact CE2-O 3.4Å; F244-Q255 VanDerWaalsContact CD2-C 3.45Å; F244-K256 HydrophobicContact CD1-CB 3.84Å; F244-K256 HydrophobicContact CD1-CG 4.04Å; F244-K256 HydrophobicContact CD2-CB 4.35Å; F244-K256 HydrophobicContact CE1-CB 3.73Å; F244-K256 HydrophobicContact CE1-CD 4.3Å; F244-K256 HydrophobicContact CE1-CG 4.09Å; F244-K256 HydrophobicContact CE2-CB 4.24Å; F244-K256 HydrophobicContact CG-CB 4.16Å; F244-K256 HydrophobicContact CZ-CB 3.94Å; F244-M259 HydrophobicContact CB-CB 3.96Å; F244-M259 HydrophobicContact CB-CG 4.29Å
245G92.4Very high91.3Very high29 Ų2972.5 Ų72.530%0.29938%0.376SS..EExtended strand (participates in β ladder)trans-71.6153.8169.700000113P243 M259P243-G245 PolarHBondContact O-N 3.36Å; G245-M259 WeakPolarHBondContact O-CG 3.2Å
246C93.7Very high91.2Very high12 Ų1275 Ų758%0.08139%0.386CS..  trans-89.6138.6160.8-169.70000109.4Q248 C249 M251 H266C246-Q248 VanDerWaalsContact C-N 3.28Å; C246-Q248 PolarHBondContact O-N 3.11Å; C246-C249 WeakPolarHBondContact CB-O 3.13Å; C246-M251 PolarHBondContact N-O 2.98Å; C246-H266 PolarHBondContact SG-NE2 3.27Å; C246-H266 VanDerWaalsContact SG-NE2 3.36Å
247D90.6Very high91.1Very high134 Ų13477.9 Ų77.972%0.71740%0.396SS*.SBendtrans-83.2-10.2-178.1-20-34.7000112.1K263D247-K263 IonicContact OD1-NZ 3.52Å; D247-K263 PolarHBondContact OD1-NZ 3.27Å; D247-K263 WeakPolarHBondContact OD2-CE 3.45Å; D247-K263 IonicContact OD2-NZ 3.16Å; D247-K263 PolarHBondContact OD2-NZ 3.16Å
248Q89.3Confident91.1Very high121 Ų12176.9 Ų76.957%0.56539%0.39SS*.SBendtrans-106.7-8.1-175.9-63.8177.13.100113C246C246-Q248 VanDerWaalsContact C-N 3.28Å; C246-Q248 PolarHBondContact O-N 3.11Å
249C91.8Very high91.2Very high33 Ų3373.7 Ų73.722%0.22338%0.376CS..SBendtrans-163.8159.6167.670.20000110.4C246 M251 H262 H266C246-C249 WeakPolarHBondContact CB-O 3.13Å; C249-M251 PolarHBondContact O-N 3.33Å; C249-H262 PolarHBondContact SG-NE2 2.9Å; C249-H266 WeakPolarHBondContact CB-CE1 3.4Å; C249-H266 PolarHBondContact SG-CE1 2.88Å; C249-H266 PolarHBondContact SG-NE2 3.3Å
250N89.4Confident91.3Very high168 Ų16874 Ų7490%0.89837%0.37SS*.SBendtrans-69.212.8-173.4-61.4-21.2000115.5R252N250-R252 PolarHBondContact O-N 3.16Å
251M91.1Very high91.4Very high98 Ų9876.2 Ų76.248%0.48337%0.366SS..  trans-70.7124.2175.4-75.3-70.617800111.5C246 C249 F253C246-M251 PolarHBondContact N-O 2.98Å; C249-M251 PolarHBondContact O-N 3.33Å; M251-F253 HydrophobicContact CB-CE2 3.76Å; M251-F253 HydrophobicContact CB-CZ 3.87Å; M251-F253 WeakPolarHBondContact O-CE2 3.44Å
252R93.2Very high91.5Very high152 Ų15273.7 Ų73.757%0.57436%0.355SS*.EExtended strand (participates in β ladder)trans-116.2142.7178.7-55.8179.561.2150.9-0.2111.2K242 N250K242-R252 HydrophobicContact CB-CB 3.51Å; K242-R252 HydrophobicContact CD-CB 4.41Å; K242-R252 HydrophobicContact CG-CB 4.45Å; K242-R252 PolarHBondContact O-NE 3.19Å; K242-R252 PolarHBondContact O-NH2 3.31Å; N250-R252 PolarHBondContact O-N 3.16Å
253F92.4Very high91.4Very high45 Ų4571.4 Ų71.420%0.19734%0.344CS..EExtended strand (participates in β ladder)trans-127.5150.4-172.2-57.1-91.9000112.5K242 F244 M251 Q255 H258 M259 H262K242-F253 CarbonylContact C-O 3.57Å; K242-F253 WeakPolarHBondContact CA-O 3.35Å; F244-F253 HydrophobicContact CB-CB 4.5Å; F244-F253 PolarHBondContact N-O 2.82Å; F244-F253 PolarHBondContact O-N 3.09Å; M251-F253 HydrophobicContact CB-CE2 3.76Å; M251-F253 HydrophobicContact CB-CZ 3.87Å; M251-F253 WeakPolarHBondContact O-CE2 3.44Å; F253-Q255 VanDerWaalsContact C-N 3.31Å; F253-H258 HydrophobicContact CB-CB 4.25Å; F253-H258 HydrophobicContact CD1-CB 3.94Å; F253-H258 HydrophobicContact CG-CB 4.31Å; F253-M259 HydrophobicContact CB-CB 4.16Å; F253-M259 HydrophobicContact CD2-CB 3.63Å; F253-M259 HydrophobicContact CD2-CG 4.12Å; F253-M259 HydrophobicContact CE2-CB 4.38Å; F253-M259 HydrophobicContact CG-CB 4.07Å; F253-H262 HydrophobicContact CE1-CB 4.25Å; F253-H262 HydrophobicContact CE2-CB 4.05Å; F253-H262 AromaticContact CE2-CD2 3.43Å; F253-H262 VanDerWaalsContact CE2-CD2 3.43Å; F253-H262 WeakPolarHBondContact CE2-CD2 3.38Å; F253-H262 AromaticContact CE2-CG 3.93Å; F253-H262 HydrophobicContact CZ-CB 3.62Å; F253-H262 AromaticContact CZ-CD2 3.4Å; F253-H262 VanDerWaalsContact CZ-CD2 3.4Å; F253-H262 WeakPolarHBondContact CZ-CD2 3.44Å; F253-H262 AromaticContact CZ-CG 3.5Å; F253-H262 VanDerWaalsContact CZ-CG 3.5Å
254I92.9Very high91.4Very high17 Ų1772 Ų729%0.08734%0.338CS..SBendtrans-73.8-23.3177-55.8174.6000111.7K236 I237 K242 F244K236-I254 HydrophobicContact CB-CG2 3.62Å; K236-I254 HydrophobicContact CD-CG2 4.35Å; I237-I254 HydrophobicContact CB-CD1 4.26Å; I237-I254 HydrophobicContact CG1-CD1 3.7Å; K242-I254 HydrophobicContact CG-CG1 4.02Å; F244-I254 WeakPolarHBondContact CE2-O 3.4Å
255Q92.3Very high91.2Very high27 Ų2772.9 Ų72.913%0.12635%0.349CS..SBendtrans-134.8130.1-171-67.2167.181.300111.8R233 F244 F253 Y257 H258 M259R233-Q255 HydrophobicContact CG-CG 4.29Å; F244-Q255 VanDerWaalsContact CD2-C 3.45Å; F253-Q255 VanDerWaalsContact C-N 3.31Å; Q255-Y257 VanDerWaalsContact C-N 3.35Å; Q255-Y257 HydrophobicContact CB-CD1 4.07Å; Q255-Y257 HydrophobicContact CB-CE1 3.9Å; Q255-Y257 HydrophobicContact CG-CE1 4.39Å; Q255-Y257 PolarHBondContact O-N 3.08Å; Q255-Y257 VanDerWaalsContact OE1-CE1 3.26Å; Q255-Y257 PolarHBondContact OE1-OH 3.02Å; Q255-H258 WeakPolarHBondContact O-CB 3.38Å; Q255-H258 PolarHBondContact O-N 2.76Å; Q255-M259 PolarHBondContact O-N 2.7Å
256K91.4Very high90.9Very high114 Ų11475.9 Ų75.950%0.49636%0.355SS..Hα-helixtrans-52.1-46.4-175.6-167.8175.5-175.2-92.40113.5F244 H258 M259 E260F244-K256 HydrophobicContact CD1-CB 3.84Å; F244-K256 HydrophobicContact CD1-CG 4.04Å; F244-K256 HydrophobicContact CD2-CB 4.35Å; F244-K256 HydrophobicContact CE1-CB 3.73Å; F244-K256 HydrophobicContact CE1-CD 4.3Å; F244-K256 HydrophobicContact CE1-CG 4.09Å; F244-K256 HydrophobicContact CE2-CB 4.24Å; F244-K256 HydrophobicContact CG-CB 4.16Å; F244-K256 HydrophobicContact CZ-CB 3.94Å; K256-H258 VanDerWaalsContact C-N 3.26Å; K256-H258 PolarHBondContact O-N 3.38Å; K256-M259 HydrophobicContact CG-CE 4.15Å; K256-M259 WeakPolarHBondContact O-CB 3.36Å; K256-M259 PolarHBondContact O-N 3.43Å; K256-M259 VanDerWaalsContact O-N 3.11Å; K256-E260 WeakPolarHBondContact CE-OE1 3.45Å; K256-E260 HydrophobicContact CG-CG 4.47Å; K256-E260 IonicContact NZ-OE1 2.75Å; K256-E260 PolarHBondContact NZ-OE1 3.29Å; K256-E260 WeakPolarHBondContact O-CG 3.36Å; K256-E260 PolarHBondContact O-N 3.23Å
257Y89.9Confident90.5Very high120 Ų12078.9 Ų78.947%0.47138%0.377SS..Hα-helixtrans-68.8-2018079.6-85.8000114Q255 R261Q255-Y257 VanDerWaalsContact C-N 3.35Å; Q255-Y257 HydrophobicContact CB-CD1 4.07Å; Q255-Y257 HydrophobicContact CB-CE1 3.9Å; Q255-Y257 HydrophobicContact CG-CE1 4.39Å; Q255-Y257 PolarHBondContact O-N 3.08Å; Q255-Y257 VanDerWaalsContact OE1-CE1 3.26Å; Q255-Y257 PolarHBondContact OE1-OH 3.02Å; Y257-R261 WeakPolarHBondContact O-CB 3.2Å; Y257-R261 PolarHBondContact O-N 2.83Å
258H91.8Very high90.3Very high30 Ų3074.9 Ų74.914%0.13937%0.367CS..Hα-helixtrans-71.9-42.8169.9-73.9-4.1000110.9F253 Q255 K256 R261 H262F253-H258 HydrophobicContact CB-CB 4.25Å; F253-H258 HydrophobicContact CD1-CB 3.94Å; F253-H258 HydrophobicContact CG-CB 4.31Å; Q255-H258 WeakPolarHBondContact O-CB 3.38Å; Q255-H258 PolarHBondContact O-N 2.76Å; K256-H258 VanDerWaalsContact C-N 3.26Å; K256-H258 PolarHBondContact O-N 3.38Å; H258-R261 PolarHBondContact O-N 2.81Å; H258-H262 WeakPolarHBondContact O-CB 3.29Å; H258-H262 PolarHBondContact O-N 2.93Å
259M94.2Very high90.1Very high17 Ų1773.8 Ų73.88%0.08436%0.362CS..Hα-helixtrans-62.5-46.8173.3175.8-78.6-70.300111.3F244 G245 F253 Q255 K256 R261 H262 K263F244-M259 HydrophobicContact CB-CB 3.96Å; F244-M259 HydrophobicContact CB-CG 4.29Å; G245-M259 WeakPolarHBondContact O-CG 3.2Å; F253-M259 HydrophobicContact CB-CB 4.16Å; F253-M259 HydrophobicContact CD2-CB 3.63Å; F253-M259 HydrophobicContact CD2-CG 4.12Å; F253-M259 HydrophobicContact CE2-CB 4.38Å; F253-M259 HydrophobicContact CG-CB 4.07Å; Q255-M259 PolarHBondContact O-N 2.7Å; K256-M259 HydrophobicContact CG-CE 4.15Å; K256-M259 WeakPolarHBondContact O-CB 3.36Å; K256-M259 PolarHBondContact O-N 3.43Å; K256-M259 VanDerWaalsContact O-N 3.11Å; M259-R261 VanDerWaalsContact C-N 3.35Å; M259-R261 PolarHBondContact O-N 3.04Å; M259-H262 CarbonylContact O-C 3.53Å; M259-H262 WeakPolarHBondContact O-CA 3.37Å; M259-H262 WeakPolarHBondContact O-CB 3.39Å; M259-H262 PolarHBondContact O-N 3.49Å; M259-K263 PolarHBondContact O-N 3.43Å; M259-K263 HydrophobicContact SD-CD 3.62Å; M259-K263 WeakPolarHBondContact SD-CE 3.44Å; M259-K263 HydrophobicContact SD-CG 4.05Å
260E90.7Very high89.8Confident71 Ų7178.3 Ų78.333%0.33238%0.378SS..Hα-helixtrans-64.3-36.4176.6-68.1168.717400112.8K256 H262 K263 R264K256-E260 WeakPolarHBondContact CE-OE1 3.45Å; K256-E260 HydrophobicContact CG-CG 4.47Å; K256-E260 IonicContact NZ-OE1 2.75Å; K256-E260 PolarHBondContact NZ-OE1 3.29Å; K256-E260 WeakPolarHBondContact O-CG 3.36Å; K256-E260 PolarHBondContact O-N 3.23Å; E260-H262 VanDerWaalsContact C-N 3.28Å; E260-K263 PolarHBondContact O-N 3.35Å; E260-R264 PolarHBondContact O-NH1 2.84Å
261R89.5Confident89.6Confident86 Ų8674.1 Ų74.133%0.32536%0.36SS..Hα-helixtrans-67-30.9171.8-174.9-175.565.8-175.7-4.6111.8Y257 H258 M259 R283Y257-R261 WeakPolarHBondContact O-CB 3.2Å; Y257-R261 PolarHBondContact O-N 2.83Å; H258-R261 PolarHBondContact O-N 2.81Å; M259-R261 VanDerWaalsContact C-N 3.35Å; M259-R261 PolarHBondContact O-N 3.04Å; R261-R283 HydrophobicContact CG-CG 4.2Å
262H91.1Very high89.4Confident34 Ų3473.3 Ų73.316%0.15735%0.352CS..Hα-helixtrans-77.2-35.4174.8172.255.5000112.7C249 F253 H258 M259 E260 R264 T265 H266C249-H262 PolarHBondContact SG-NE2 2.9Å; F253-H262 HydrophobicContact CE1-CB 4.25Å; F253-H262 HydrophobicContact CE2-CB 4.05Å; F253-H262 AromaticContact CE2-CD2 3.43Å; F253-H262 VanDerWaalsContact CE2-CD2 3.43Å; F253-H262 WeakPolarHBondContact CE2-CD2 3.38Å; F253-H262 AromaticContact CE2-CG 3.93Å; F253-H262 HydrophobicContact CZ-CB 3.62Å; F253-H262 AromaticContact CZ-CD2 3.4Å; F253-H262 VanDerWaalsContact CZ-CD2 3.4Å; F253-H262 WeakPolarHBondContact CZ-CD2 3.44Å; F253-H262 AromaticContact CZ-CG 3.5Å; F253-H262 VanDerWaalsContact CZ-CG 3.5Å; H258-H262 WeakPolarHBondContact O-CB 3.29Å; H258-H262 PolarHBondContact O-N 2.93Å; M259-H262 CarbonylContact O-C 3.53Å; M259-H262 WeakPolarHBondContact O-CA 3.37Å; M259-H262 WeakPolarHBondContact O-CB 3.39Å; M259-H262 PolarHBondContact O-N 3.49Å; E260-H262 VanDerWaalsContact C-N 3.28Å; H262-R264 PolarHBondContact O-N 3.48Å; H262-R264 VanDerWaalsContact O-N 3.12Å; H262-T265 PolarHBondContact ND1-OG1 3.42Å; H262-T265 VanDerWaalsContact ND1-OG1 3.14Å; H262-T265 PolarHBondContact O-N 3.24Å; H262-T265 PolarHBondContact O-OG1 3.34Å; H262-H266 AromaticContact CD2-NE2 3.17Å; H262-H266 PolarHBondContact CD2-NE2 3.32Å; H262-H266 AromaticContact CE1-CD2 3.99Å; H262-H266 AromaticContact CE1-NE2 2.68Å; H262-H266 PolarHBondContact CE1-NE2 2.18Å; H262-H266 AromaticContact CG-NE2 3.95Å; H262-H266 AromaticContact ND1-NE2 3.7Å; H262-H266 AromaticContact NE2-CD2 3.88Å; H262-H266 AromaticContact NE2-NE2 2.2Å; H262-H266 PolarHBondContact NE2-NE2 3.17Å
263K90.2Very high89.3Confident51 Ų5173.3 Ų73.322%0.22235%0.352CS..Hα-helixtrans-55.5-31.5172.2-76.4-175.3175.6175.80112.7D247 M259 E260 T265 H266 S267D247-K263 IonicContact OD1-NZ 3.52Å; D247-K263 PolarHBondContact OD1-NZ 3.27Å; D247-K263 WeakPolarHBondContact OD2-CE 3.45Å; D247-K263 IonicContact OD2-NZ 3.16Å; D247-K263 PolarHBondContact OD2-NZ 3.16Å; M259-K263 PolarHBondContact O-N 3.43Å; M259-K263 HydrophobicContact SD-CD 3.62Å; M259-K263 WeakPolarHBondContact SD-CE 3.44Å; M259-K263 HydrophobicContact SD-CG 4.05Å; E260-K263 PolarHBondContact O-N 3.35Å; K263-T265 VanDerWaalsContact C-N 3.28Å; K263-T265 PolarHBondContact O-N 2.88Å; K263-H266 PolarHBondContact O-N 2.59Å; K263-S267 PolarHBondContact O-N 2.91Å; K263-S267 VanDerWaalsContact O-N 3.1Å
264R89Confident89.2Confident81 Ų8171.1 Ų71.131%0.30634%0.342SS..Hα-helixtrans-66.2-19.9172-62-170.6-178.485-6.2115.2E260 H262 G268 E269E260-R264 PolarHBondContact O-NH1 2.84Å; H262-R264 PolarHBondContact O-N 3.48Å; H262-R264 VanDerWaalsContact O-N 3.12Å; R264-G268 PolarHBondContact O-N 3.1Å; R264-E269 HydrophobicContact CB-CB 4.36Å; R264-E269 HydrophobicContact CG-CB 4.36Å; R264-E269 WeakPolarHBondContact CG-OE2 3.46Å; R264-E269 IonicContact NE-OE2 2.76Å; R264-E269 PolarHBondContact O-N 3.07Å
265T87.6Confident88.9Confident91 Ų9175.9 Ų75.956%0.55836%0.364SS*.Hα-helixtrans-76.8-26.9174.664.80000112.2H262 K263H262-T265 PolarHBondContact ND1-OG1 3.42Å; H262-T265 VanDerWaalsContact ND1-OG1 3.14Å; H262-T265 PolarHBondContact O-N 3.24Å; H262-T265 PolarHBondContact O-OG1 3.34Å; K263-T265 VanDerWaalsContact C-N 3.28Å; K263-T265 PolarHBondContact O-N 2.88Å
266H87.3Confident88.6Confident91 Ų9178.2 Ų78.242%0.42138%0.38SS..Hα-helixtrans-80.1-45.1172.3-61-69.4000111.4C246 C249 H262 K263 G268C246-H266 PolarHBondContact SG-NE2 3.27Å; C246-H266 VanDerWaalsContact SG-NE2 3.36Å; C249-H266 WeakPolarHBondContact CB-CE1 3.4Å; C249-H266 PolarHBondContact SG-CE1 2.88Å; C249-H266 PolarHBondContact SG-NE2 3.3Å; H262-H266 AromaticContact CD2-NE2 3.17Å; H262-H266 PolarHBondContact CD2-NE2 3.32Å; H262-H266 AromaticContact CE1-CD2 3.99Å; H262-H266 AromaticContact CE1-NE2 2.68Å; H262-H266 PolarHBondContact CE1-NE2 2.18Å; H262-H266 AromaticContact CG-NE2 3.95Å; H262-H266 AromaticContact ND1-NE2 3.7Å; H262-H266 AromaticContact NE2-CD2 3.88Å; H262-H266 AromaticContact NE2-NE2 2.2Å; H262-H266 PolarHBondContact NE2-NE2 3.17Å; K263-H266 PolarHBondContact O-N 2.59Å; H266-G268 PolarHBondContact O-N 3.39Å
267S85.3Confident88.4Confident76 Ų7674.7 Ų74.753%0.53137%0.37SS..SBendtrans-75.21.1-179.3-165.20000114.8K263 E269K263-S267 PolarHBondContact O-N 2.91Å; K263-S267 VanDerWaalsContact O-N 3.1Å; S267-E269 PolarHBondContact O-N 3.35Å
268G85.3Confident88.3Confident50 Ų5075.1 Ų75.152%0.51538%0.376SS..  trans64.30.2-179.600000116.4R264 H266 K270R264-G268 PolarHBondContact O-N 3.1Å; H266-G268 PolarHBondContact O-N 3.39Å; G268-K270 PolarHBondContact O-N 3.23Å
269E85.1Confident88Confident97 Ų9779.2 Ų79.245%0.45340%0.395SS..  trans-58.6120.9-170.4-70.8-172.2161.200113R264 S267 P271 S282R264-E269 HydrophobicContact CB-CB 4.36Å; R264-E269 HydrophobicContact CG-CB 4.36Å; R264-E269 WeakPolarHBondContact CG-OE2 3.46Å; R264-E269 IonicContact NE-OE2 2.76Å; R264-E269 PolarHBondContact O-N 3.07Å; S267-E269 PolarHBondContact O-N 3.35Å; E269-P271 VanDerWaalsContact C-CD 3.4Å; E269-P271 WeakPolarHBondContact O-CD 3.39Å; E269-S282 WeakPolarHBondContact O-CA 3.39Å; E269-S282 WeakPolarHBondContact O-CB 3.45Å
270K85.6Confident87.8Confident128 Ų12884.6 Ų84.656%0.55742%0.416SS*.  trans-118.864.1175.3-64.3167.3-179176.40112.2G268 Y272 F281G268-K270 PolarHBondContact O-N 3.23Å; K270-Y272 PolarHBondContact O-N 3.33Å; K270-Y272 VanDerWaalsContact O-N 3.12Å; K270-F281 CarbonylContact C-O 3.53Å; K270-F281 VanDerWaalsContact CA-O 3.31Å; K270-F281 WeakPolarHBondContact CA-O 3.18Å
271P85.8Confident87.7Confident80 Ų8083.2 Ų83.252%0.51941%0.409SS..  trans-72.1-4.8-170.130.2-36.5000115.2E269E269-P271 VanDerWaalsContact C-CD 3.4Å; E269-P271 WeakPolarHBondContact O-CD 3.39Å
272Y87.5Confident87.6Confident82 Ų8281.1 Ų81.132%0.32241%0.407SS..EExtended strand (participates in β ladder)trans-108.798.2-176.2-54.6-72.9000111.1K270 F281 T284K270-Y272 PolarHBondContact O-N 3.33Å; K270-Y272 VanDerWaalsContact O-N 3.12Å; Y272-F281 WeakPolarHBondContact CB-O 3.36Å; Y272-F281 WeakPolarHBondContact CD2-O 3.47Å; Y272-F281 PolarHBondContact N-O 2.83Å; Y272-F281 PolarHBondContact O-N 3.21Å; Y272-T284 HydrophobicContact CD1-CG2 3.68Å; Y272-T284 HydrophobicContact CD2-CG2 4.41Å; Y272-T284 HydrophobicContact CE1-CG2 3.33Å; Y272-T284 HydrophobicContact CE2-CG2 4.11Å; Y272-T284 HydrophobicContact CG-CG2 4.22Å
273R89.9Confident87.4Confident151 Ų15182.8 Ų82.857%0.5741%0.412SS*.EExtended strand (participates in β ladder)trans-79.7149.717379.8178.7-172174.63.2112.1Q279 Y280 L287R273-Q279 CarbonylContact C-O 3.54Å; R273-Q279 WeakPolarHBondContact CA-O 3.5Å; R273-Y280 HydrophobicContact CB-CD1 3.89Å; R273-Y280 HydrophobicContact CB-CE1 3.77Å; R273-L287 WeakPolarHBondContact O-CD2 3.36Å
274C90.9Very high87.3Confident0 Ų083.7 Ų83.70%042%0.422CS..  trans-89.2122.6163.1-171.80000108.9T276 Q278 Q279 F281 L287 H290C274-T276 PolarHBondContact O-N 2.98Å; C274-Q278 WeakPolarHBondContact O-CA 3.18Å; C274-Q278 PolarHBondContact O-N 3.23Å; C274-Q279 PolarHBondContact N-O 3.39Å; C274-F281 HydrophobicContact CB-CE2 4.26Å; C274-L287 HydrophobicContact CB-CD1 3.61Å; C274-H290 VanDerWaalsContact SG-CD2 3.56Å; C274-H290 PolarHBondContact SG-NE2 3.32Å
275E86.6Confident87.3Confident117 Ų11782.5 Ų82.555%0.54742%0.421SS..THydrogen-bonded Turntrans-64.9-33.6176.2-59.389.3163.900111.7K291E275-K291 IonicContact OE1-NZ 2.6Å; E275-K291 WeakPolarHBondContact OE2-CE 3.5Å; E275-K291 IonicContact OE2-NZ 2.81Å; E275-K291 PolarHBondContact OE2-NZ 2.95Å
276T86.1Confident87.3Confident76 Ų7684.6 Ų84.647%0.46642%0.419SS..THydrogen-bonded Turntrans-68.4-50.9-171.7-48.50000112.7C274 C294 I298C274-T276 PolarHBondContact O-N 2.98Å; T276-C294 VanDerWaalsContact CB-SG 3.5Å; T276-C294 VanDerWaalsContact CG2-SG 3.58Å; T276-I298 HydrophobicContact CG2-CD1 3.65Å; T276-I298 WeakPolarHBondContact O-CD1 3.33Å
277C87.2Confident87.5Confident40 Ų4081 Ų8127%0.2740%0.403SS..THydrogen-bonded Turntrans-123.322.817946.80000113.6Q279 H290 C294 I298C277-Q279 PolarHBondContact O-N 3.24Å; C277-H290 PolarHBondContact SG-CE1 2.77Å; C277-H290 PolarHBondContact SG-NE2 2.91Å; C277-C294 WeakPolarHBondContact CB-SG 3.34Å; C277-C294 PolarHBondContact N-SG 3.06Å; C277-C294 WeakPolarHBondContact SG-CB 3.33Å; C277-C294 CovalentContact SG-SG 2.04Å; C277-C294 PolarHBondContact SG-SG 3.48Å; C277-I298 HydrophobicContact CB-CD1 3.96Å; C277-I298 HydrophobicContact CB-CG1 4.38Å
278Q87.4Confident87.8Confident129 Ų12981.5 Ų81.560%0.60340%0.399SS*.  trans57.5-2171.9-52.5-164.827.600117.6C274 Y280C274-Q278 WeakPolarHBondContact O-CA 3.18Å; C274-Q278 PolarHBondContact O-N 3.23Å; Q278-Y280 VanDerWaalsContact O-CD2 3.3Å; Q278-Y280 WeakPolarHBondContact O-CD2 3.47Å; Q278-Y280 WeakPolarHBondContact O-CE2 3.29Å
279Q86.6Confident87.9Confident116 Ų11685 Ų8554%0.54240%0.4SS..  trans-62.6140.7-179.3-74-63.3-24.900113.3R273 C274 C277 F281R273-Q279 CarbonylContact C-O 3.54Å; R273-Q279 WeakPolarHBondContact CA-O 3.5Å; C274-Q279 PolarHBondContact N-O 3.39Å; C277-Q279 PolarHBondContact O-N 3.24Å; Q279-F281 HydrophobicContact CB-CE2 3.7Å; Q279-F281 HydrophobicContact CB-CZ 3.89Å; Q279-F281 WeakPolarHBondContact O-CD2 3.49Å; Q279-F281 WeakPolarHBondContact O-CE2 3.47Å
280Y89.4Confident88.1Confident130 Ų13082.1 Ų82.151%0.5139%0.387SS..EExtended strand (participates in β ladder)trans-103.9132.7-175.3-69.9-92.8000112.4R273 Q278R273-Y280 HydrophobicContact CB-CD1 3.89Å; R273-Y280 HydrophobicContact CB-CE1 3.77Å; Q278-Y280 VanDerWaalsContact O-CD2 3.3Å; Q278-Y280 WeakPolarHBondContact O-CD2 3.47Å; Q278-Y280 WeakPolarHBondContact O-CE2 3.29Å
281F88.3Confident88.2Confident42 Ų4280.3 Ų80.318%0.18438%0.379CS..EExtended strand (participates in β ladder)trans-123.8143.4-176.6-60.9-87.4000112.2K270 Y272 C274 Q279 R283 R286 L287 H290K270-F281 CarbonylContact C-O 3.53Å; K270-F281 VanDerWaalsContact CA-O 3.31Å; K270-F281 WeakPolarHBondContact CA-O 3.18Å; Y272-F281 WeakPolarHBondContact CB-O 3.36Å; Y272-F281 WeakPolarHBondContact CD2-O 3.47Å; Y272-F281 PolarHBondContact N-O 2.83Å; Y272-F281 PolarHBondContact O-N 3.21Å; C274-F281 HydrophobicContact CB-CE2 4.26Å; Q279-F281 HydrophobicContact CB-CE2 3.7Å; Q279-F281 HydrophobicContact CB-CZ 3.89Å; Q279-F281 WeakPolarHBondContact O-CD2 3.49Å; Q279-F281 WeakPolarHBondContact O-CE2 3.47Å; F281-R283 VanDerWaalsContact C-N 3.25Å; F281-R283 PolarHBondContact O-N 3.33Å; F281-R286 HydrophobicContact CD1-CB 3.97Å; F281-L287 HydrophobicContact CB-CB 4.31Å; F281-L287 HydrophobicContact CD2-CB 4.12Å; F281-L287 HydrophobicContact CD2-CD1 3.91Å; F281-L287 HydrophobicContact CE2-CD1 4.18Å; F281-L287 HydrophobicContact CG-CB 4.31Å; F281-H290 HydrophobicContact CE1-CB 4.11Å; F281-H290 HydrophobicContact CE2-CB 4.27Å; F281-H290 AromaticContact CE2-CD2 3.26Å; F281-H290 WeakPolarHBondContact CE2-CD2 3.49Å; F281-H290 AromaticContact CE2-CG 3.75Å; F281-H290 AromaticContact CE2-NE2 3.61Å; F281-H290 HydrophobicContact CZ-CB 3.75Å; F281-H290 AromaticContact CZ-CD2 3.31Å; F281-H290 WeakPolarHBondContact CZ-CD2 3.5Å; F281-H290 AromaticContact CZ-CE1 3.78Å; F281-H290 AromaticContact CZ-CG 3.3Å; F281-H290 AromaticContact CZ-ND1 3.62Å; F281-H290 AromaticContact CZ-NE2 3.61Å
282S87.3Confident88.2Confident41 Ų4183.8 Ų83.829%0.28738%0.381SS..SBendtrans-76.8-7.817457.20000114.2E269E269-S282 WeakPolarHBondContact O-CA 3.39Å; E269-S282 WeakPolarHBondContact O-CB 3.45Å
283R87Confident88Confident69 Ų6984.1 Ų84.126%0.2639%0.392SS..  trans-146.5135.8-172.7-70.416856.6163.9-7.5112.6R261 F281 D285 R286 L287R261-R283 HydrophobicContact CG-CG 4.2Å; F281-R283 VanDerWaalsContact C-N 3.25Å; F281-R283 PolarHBondContact O-N 3.33Å; R283-D285 VanDerWaalsContact C-N 3.33Å; R283-D285 WeakPolarHBondContact CB-OD1 3.26Å; R283-D285 IonicContact CZ-OD1 2.66Å; R283-D285 VanDerWaalsContact CZ-OD1 3.3Å; R283-D285 IonicContact CZ-OD2 2.76Å; R283-D285 IonicContact NE-OD1 2.99Å; R283-D285 PolarHBondContact NE-OD1 3.16Å; R283-D285 IonicContact NE-OD2 3.58Å; R283-D285 IonicContact NH2-OD1 3.3Å; R283-D285 PolarHBondContact NH2-OD1 3.03Å; R283-D285 IonicContact NH2-OD2 3.66Å; R283-D285 PolarHBondContact NH2-OD2 2.85Å; R283-D285 PolarHBondContact O-N 3.09Å; R283-R286 HydrophobicContact CB-CB 4.3Å; R283-R286 HydrophobicContact CB-CG 4.09Å; R283-R286 PolarHBondContact O-N 3.29Å; R283-R286 VanDerWaalsContact O-N 3.16Å; R283-L287 PolarHBondContact O-N 2.99Å; R283-L287 VanDerWaalsContact O-N 3.09Å
284T88.3Confident87.6Confident70 Ų7077.4 Ų77.443%0.42937%0.368SS..Hα-helixtrans-54.9-44.1171.649.20000112.7Y272 R286 L287 L288Y272-T284 HydrophobicContact CD1-CG2 3.68Å; Y272-T284 HydrophobicContact CD2-CG2 4.41Å; Y272-T284 HydrophobicContact CE1-CG2 3.33Å; Y272-T284 HydrophobicContact CE2-CG2 4.11Å; Y272-T284 HydrophobicContact CG-CG2 4.22Å; T284-R286 PolarHBondContact O-N 3.06Å; T284-L287 CarbonylContact O-C 3.56Å; T284-L287 PolarHBondContact O-N 3.12Å; T284-L287 VanDerWaalsContact O-N 3.12Å; T284-L288 WeakPolarHBondContact O-CD1 3.45Å; T284-L288 PolarHBondContact O-N 2.75Å
285D88.5Confident86.4Confident57 Ų5779 Ų7931%0.30539%0.385SS..Hα-helixtrans-67.3-22.2-178.373.2-79.5000113.6R283 K289R283-D285 VanDerWaalsContact C-N 3.33Å; R283-D285 WeakPolarHBondContact CB-OD1 3.26Å; R283-D285 IonicContact CZ-OD1 2.66Å; R283-D285 VanDerWaalsContact CZ-OD1 3.3Å; R283-D285 IonicContact CZ-OD2 2.76Å; R283-D285 IonicContact NE-OD1 2.99Å; R283-D285 PolarHBondContact NE-OD1 3.16Å; R283-D285 IonicContact NE-OD2 3.58Å; R283-D285 IonicContact NH2-OD1 3.3Å; R283-D285 PolarHBondContact NH2-OD1 3.03Å; R283-D285 IonicContact NH2-OD2 3.66Å; R283-D285 PolarHBondContact NH2-OD2 2.85Å; R283-D285 PolarHBondContact O-N 3.09Å; D285-K289 VanDerWaalsContact O-CG 3.28Å; D285-K289 WeakPolarHBondContact O-CG 3.29Å; D285-K289 PolarHBondContact O-N 3.28Å
286R88.7Confident85.2Confident134 Ų13479.5 Ų79.551%0.50639%0.388SS..Hα-helixtrans-79.3-44.4170.3-65.8-62.9-170.6169.11.1110.7F281 R283 T284 L288 K289 H290F281-R286 HydrophobicContact CD1-CB 3.97Å; R283-R286 HydrophobicContact CB-CB 4.3Å; R283-R286 HydrophobicContact CB-CG 4.09Å; R283-R286 PolarHBondContact O-N 3.29Å; R283-R286 VanDerWaalsContact O-N 3.16Å; T284-R286 PolarHBondContact O-N 3.06Å; R286-L288 PolarHBondContact O-N 3Å; R286-K289 PolarHBondContact O-N 3.4Å; R286-H290 VanDerWaalsContact O-CB 3.31Å; R286-H290 WeakPolarHBondContact O-CB 3.47Å; R286-H290 PolarHBondContact O-N 3.04Å
287L91.8Very high83.8Confident17 Ų1778.1 Ų78.19%0.08939%0.388CS..Hα-helixtrans-57.4-47.5172.8174.360.8000112.2R273 C274 F281 R283 T284 K289 H290 K291R273-L287 WeakPolarHBondContact O-CD2 3.36Å; C274-L287 HydrophobicContact CB-CD1 3.61Å; F281-L287 HydrophobicContact CB-CB 4.31Å; F281-L287 HydrophobicContact CD2-CB 4.12Å; F281-L287 HydrophobicContact CD2-CD1 3.91Å; F281-L287 HydrophobicContact CE2-CD1 4.18Å; F281-L287 HydrophobicContact CG-CB 4.31Å; R283-L287 PolarHBondContact O-N 2.99Å; R283-L287 VanDerWaalsContact O-N 3.09Å; T284-L287 CarbonylContact O-C 3.56Å; T284-L287 PolarHBondContact O-N 3.12Å; T284-L287 VanDerWaalsContact O-N 3.12Å; L287-K289 PolarHBondContact O-N 2.86Å; L287-H290 CarbonylContact O-C 3.55Å; L287-H290 PolarHBondContact O-N 2.58Å; L287-K291 HydrophobicContact CD1-CD 4.4Å; L287-K291 HydrophobicContact CD1-CG 3.93Å; L287-K291 HydrophobicContact CG-CG 4.37Å; L287-K291 PolarHBondContact O-N 3.38Å
288L89.9Confident82.3Confident85 Ų8580.3 Ų80.345%0.44540%0.397SS..Hα-helixtrans-65.5-36.3-179.8-89.281.1000112.6T284 R286 R292T284-L288 WeakPolarHBondContact O-CD1 3.45Å; T284-L288 PolarHBondContact O-N 2.75Å; R286-L288 PolarHBondContact O-N 3Å; L288-R292 WeakPolarHBondContact O-CG 3.43Å
289K88.3Confident80.7Confident123 Ų12381.3 Ų81.354%0.53540%0.399SS..Hα-helixtrans-65.1-41.5172.4-77.6179.2177.7-169.50111.4D285 R286 L287 R292D285-K289 VanDerWaalsContact O-CG 3.28Å; D285-K289 WeakPolarHBondContact O-CG 3.29Å; D285-K289 PolarHBondContact O-N 3.28Å; R286-K289 PolarHBondContact O-N 3.4Å; L287-K289 PolarHBondContact O-N 2.86Å; K289-R292 PolarHBondContact O-N 3.01Å
290H88.8Confident79.1Confident38 Ų3884.4 Ų84.418%0.17641%0.411CS..Hα-helixtrans-71.5-37.1178.9166.481.3000113.4C274 C277 F281 R286 L287 R292 T293 C294C274-H290 VanDerWaalsContact SG-CD2 3.56Å; C274-H290 PolarHBondContact SG-NE2 3.32Å; C277-H290 PolarHBondContact SG-CE1 2.77Å; C277-H290 PolarHBondContact SG-NE2 2.91Å; F281-H290 HydrophobicContact CE1-CB 4.11Å; F281-H290 HydrophobicContact CE2-CB 4.27Å; F281-H290 AromaticContact CE2-CD2 3.26Å; F281-H290 WeakPolarHBondContact CE2-CD2 3.49Å; F281-H290 AromaticContact CE2-CG 3.75Å; F281-H290 AromaticContact CE2-NE2 3.61Å; F281-H290 HydrophobicContact CZ-CB 3.75Å; F281-H290 AromaticContact CZ-CD2 3.31Å; F281-H290 WeakPolarHBondContact CZ-CD2 3.5Å; F281-H290 AromaticContact CZ-CE1 3.78Å; F281-H290 AromaticContact CZ-CG 3.3Å; F281-H290 AromaticContact CZ-ND1 3.62Å; F281-H290 AromaticContact CZ-NE2 3.61Å; R286-H290 VanDerWaalsContact O-CB 3.31Å; R286-H290 WeakPolarHBondContact O-CB 3.47Å; R286-H290 PolarHBondContact O-N 3.04Å; L287-H290 CarbonylContact O-C 3.55Å; L287-H290 PolarHBondContact O-N 2.58Å; H290-R292 PolarHBondContact O-N 3.48Å; H290-R292 VanDerWaalsContact O-N 3.16Å; H290-T293 PolarHBondContact O-N 3.23Å; H290-T293 PolarHBondContact O-OG1 2.9Å; H290-C294 WeakPolarHBondContact O-CB 3.3Å; H290-C294 PolarHBondContact O-N 3.45Å
291K87.5Confident77.3Confident90 Ų9081.7 Ų81.739%0.39142%0.422SS..Hα-helixtrans-58.7-27.1174.1-83.2-166.2170.9-167.10112.7E275 L287 T293E275-K291 IonicContact OE1-NZ 2.6Å; E275-K291 WeakPolarHBondContact OE2-CE 3.5Å; E275-K291 IonicContact OE2-NZ 2.81Å; E275-K291 PolarHBondContact OE2-NZ 2.95Å; L287-K291 HydrophobicContact CD1-CD 4.4Å; L287-K291 HydrophobicContact CD1-CG 3.93Å; L287-K291 HydrophobicContact CG-CG 4.37Å; L287-K291 PolarHBondContact O-N 3.38Å; K291-T293 VanDerWaalsContact C-N 3.31Å; K291-T293 PolarHBondContact O-N 3.29Å
292R86.3Confident75.5Confident152 Ų15287.2 Ų87.257%0.57445%0.453SS*.Hα-helixtrans-74.7-13.6174.4-64.1171-174.7168.1-0.2114.4P104 L288 K289 H290P104-R292 VanDerWaalsContact CG-NH1 3.3Å; L288-R292 WeakPolarHBondContact O-CG 3.43Å; K289-R292 PolarHBondContact O-N 3.01Å; H290-R292 PolarHBondContact O-N 3.48Å; H290-R292 VanDerWaalsContact O-N 3.16Å
293T83.9Confident73.2Confident90 Ų9091.4 Ų91.455%0.55247%0.472SS*.Hα-helixtrans-123.6-25.7-176.559.40000114H290 K291 G295 E296H290-T293 PolarHBondContact O-N 3.23Å; H290-T293 PolarHBondContact O-OG1 2.9Å; K291-T293 VanDerWaalsContact C-N 3.31Å; K291-T293 PolarHBondContact O-N 3.29Å; T293-G295 PolarHBondContact O-N 2.77Å; T293-E296 PolarHBondContact O-N 3.07Å
294C80.5Confident71.5Confident9 Ų992.8 Ų92.86%0.06149%0.49CS..Hα-helixtrans-56.8-30.7177.9171.10000113.2T276 C277 H290 E296 G297T276-C294 VanDerWaalsContact CB-SG 3.5Å; T276-C294 VanDerWaalsContact CG2-SG 3.58Å; C277-C294 WeakPolarHBondContact CB-SG 3.34Å; C277-C294 PolarHBondContact N-SG 3.06Å; C277-C294 WeakPolarHBondContact SG-CB 3.33Å; C277-C294 CovalentContact SG-SG 2.04Å; C277-C294 PolarHBondContact SG-SG 3.48Å; H290-C294 WeakPolarHBondContact O-CB 3.3Å; H290-C294 PolarHBondContact O-N 3.45Å; C294-E296 VanDerWaalsContact C-N 3.27Å; C294-E296 PolarHBondContact O-N 2.83Å; C294-G297 PolarHBondContact O-N 3.17Å
295G66.4Low69.5Low35 Ų3592.6 Ų92.636%0.36150%0.502SS..Hα-helixtrans-64.8-20.4179.400000115.8T293T293-G295 PolarHBondContact O-N 2.77Å
296E60.4Low67.5Low127 Ų12798 Ų9859%0.59353%0.527SS*.Hα-helixtrans-90.8-22.1177.3-67.3-52124.400113.4T293 C294 K299T293-E296 PolarHBondContact O-N 3.07Å; C294-E296 VanDerWaalsContact C-N 3.27Å; C294-E296 PolarHBondContact O-N 2.83Å; E296-K299 VanDerWaalsContact CD-NZ 3.29Å; E296-K299 IonicContact OE1-NZ 3.68Å; E296-K299 PolarHBondContact OE1-NZ 2.85Å; E296-K299 IonicContact OE2-NZ 2.62Å; E296-K299 PolarHBondContact OE2-NZ 2.14Å; E296-K299 VanDerWaalsContact OE2-NZ 3.16Å
297G56.5Low65.6Low47 Ų4798.2 Ų98.249%0.48554%0.535SS..Hα-helixtrans-71-41.6179.500000113.2C294 K299 K300C294-G297 PolarHBondContact O-N 3.17Å; G297-K299 VanDerWaalsContact C-N 3.29Å; G297-K299 PolarHBondContact O-N 3.4Å; G297-K300 PolarHBondContact O-N 3.33Å
298I57Low63.4Low86 Ų86104.2 Ų104.244%0.44157%0.568SS.*THydrogen-bonded Turntrans-70.2-25.4-171.7-56-176.4000112.5T276 C277 K300T276-I298 HydrophobicContact CG2-CD1 3.65Å; T276-I298 WeakPolarHBondContact O-CD1 3.33Å; C277-I298 HydrophobicContact CB-CD1 3.96Å; C277-I298 HydrophobicContact CB-CG1 4.38Å; I298-K300 PolarHBondContact O-N 2.79Å; I298-K300 VanDerWaalsContact O-N 3.1Å
299K54.3Low61.3Low149 Ų149108.2 Ų108.265%0.64859%0.589SS**THydrogen-bonded Turntrans-66.7-7.7173.3-58.6178.8-161.41570113.3E296 G297E296-K299 VanDerWaalsContact CD-NZ 3.29Å; E296-K299 IonicContact OE1-NZ 3.68Å; E296-K299 PolarHBondContact OE1-NZ 2.85Å; E296-K299 IonicContact OE2-NZ 2.62Å; E296-K299 PolarHBondContact OE2-NZ 2.14Å; E296-K299 VanDerWaalsContact OE2-NZ 3.16Å; G297-K299 VanDerWaalsContact C-N 3.29Å; G297-K299 PolarHBondContact O-N 3.4Å
300K52.9Low58.8Low182 Ų182106.1 Ų106.179%0.79160%0.602SS**SBendtrans-115.859.8178.5-67.2-168.6176.4-1750112.3G297 I298G297-K300 PolarHBondContact O-N 3.33Å; I298-K300 PolarHBondContact O-N 2.79Å; I298-K300 VanDerWaalsContact O-N 3.1Å
301G50.6Low56Low73 Ų73113.7 Ų113.775%0.75363%0.634SS**  trans61.555.2150.200000116.3
302L51.3Low53.3Low157 Ų157115.6 Ų115.682%0.82265%0.653SS**  trans-105.8106.2156.8-75.1175.2000108.8
303D38.7Very low51.1Low130 Ų130115.3 Ų115.370%0.69566%0.663SS**  trans-63.4140.1169.7-177.2-87.4000110.3G305D303-G305 PolarHBondContact O-N 2.96Å; D303-G305 VanDerWaalsContact O-N 3.12Å; D303-G305 WeakPolarHBondContact OD1-CA 3.46Å; D303-G305 PolarHBondContact OD1-N 3.3Å
304P51.6Low48.8Very low98 Ų98118.3 Ų118.364%0.63667%0.673SS**THydrogen-bonded Turntrans-67-4.5-178.8-22.635000116.4M306 M307P304-M306 PolarHBondContact O-N 2.81Å; P304-M307 HydrophobicContact CB-CE 4.18Å; P304-M307 WeakPolarHBondContact O-CE 3.35Å
305G46.4Very low46.6Very low66 Ų66120.7 Ų120.768%0.6870%0.699SS**THydrogen-bonded Turntrans-81.4-0.8-168.100000117.9D303D303-G305 PolarHBondContact O-N 2.96Å; D303-G305 VanDerWaalsContact O-N 3.12Å; D303-G305 WeakPolarHBondContact OD1-CA 3.46Å; D303-G305 PolarHBondContact OD1-N 3.3Å
306M45.1Very low45.1Very low171 Ų171127.8 Ų127.884%0.84272%0.723SS**  trans-137.750.1-169.8-155.7-1617500115.1P304P304-M306 PolarHBondContact O-N 2.81Å
307M49.4Very low43.6Very low137 Ų137125.2 Ų125.268%0.67573%0.731SS**  trans-132.630.9168.763-101.5175.100114.6P304P304-M307 HydrophobicContact CB-CE 4.18Å; P304-M307 WeakPolarHBondContact O-CE 3.35Å
308D44.7Very low42.5Very low144 Ų144128.1 Ų128.177%0.7774%0.744SS**SBendtrans-109.5154.1154.4-157.5-9.1000108.9
309L46.2Very low41.3Very low169 Ų169134.5 Ų134.589%0.88576%0.764SS**SBendtrans58.588.5-170.7-52.5177.7000115.1
310G35.7Very low40.2Very low78 Ų78130.4 Ų130.480%0.80476%0.764SS**  trans168.327.5168.200000122.9
311F29.5Very low39.1Very low197 Ų197129.3 Ų129.386%0.86477%0.765SS**  trans-143.489.1159.9-150-89.9000112.6
312V32.1Very low38.4Very low130 Ų130131.6 Ų131.679%0.78877%0.765SS**  trans-74151170.7-159.50000109
313D40.7Very low37.5Very low147 Ų147133.4 Ų133.479%0.78677%0.769SS**  trans-56.6142.3174.8-177.630.9000112.3G315D313-G315 PolarHBondContact OD1-N 2.89Å
314M35.7Very low36.9Very low152 Ų152131.1 Ų131.175%0.74978%0.776SS**  trans-142.866.7169.1-171.715860.700109.7
315G34.1Very low35.9Very low60 Ų60133.7 Ų133.762%0.61978%0.784SS**  trans-57.7144.4162.500000111.5D313D313-G315 PolarHBondContact OD1-N 2.89Å
316Q34.5Very low35.1Very low183 Ų183137.6 Ų137.686%0.85579%0.794SS**  trans-118.5112.2175.9-71.5-174.7-35.700110.1
317G28.9Very low34.6Very low74 Ų74132.1 Ų132.176%0.76378%0.782SS**  trans-95.4-162.1166.600000112.2
318S33.8Very low33.7Very low107 Ų107131.5 Ų131.575%0.74879%0.791SS**  trans-54.8165.4166.948.40000111.7
319Y30.3Very low33.1Very low220 Ų220130.7 Ų130.786%0.86379%0.792SS**  cis-164.3-178.240.532.1-102.4000107.6
320G31.3Very low32.4Very low63 Ų63126.2 Ų126.265%0.64979%0.786SS**  cis140.280.32.600000112.3
321I30Very low32.3Very low159 Ų159134.5 Ų134.582%0.81579%0.793SS**  trans46.1119.6155.1-29.2178.2000119.9
322T36.8Very low32.6Very low122 Ų122134.8 Ų134.875%0.74879%0.794SS**  173.3133.111331.80000116.4
323Q31.1Very low32.5Very low195 Ų195138.9 Ų138.991%0.91180%0.801SS**  trans48.1147143.5-59.2-1735.700123.5
324G27.6Very low31.8Very low81 Ų81135.7 Ų135.784%0.83580%0.803SS**  trans139.255.3157.500000117.7
325N29.8Very low31.6Very low152 Ų152138.6 Ų138.681%0.81381%0.811SS**  trans-100.8127178.8-174.314.1000112.8
326V30.8Very low31.3Very low148 Ų148141.5 Ų141.590%0.89782%0.822SS**  trans-136.6128.2159.2-179.50000107.1
327G33.1Very low31.1Very low57 Ų57142.7 Ų142.759%0.58882%0.824SS**  trans-135.1-171.5-170.700000115.1
328S30.8Very low31Very low123 Ų123145.1 Ų145.186%0.8683%0.83SS**  trans72.1146-174.6-123.90000114.4
329T32.9Very low30.7Very low128 Ų128144.8 Ų144.879%0.78583%0.827SS**  cis-128.8160.96.151.90000111.4
330G30.7Very low30.6Very low74 Ų74140.1 Ų140.176%0.76382%0.822SS**  trans-101153.7172.400000113.4
331R34.2Very low30.4Very low253 Ų253144.3 Ų144.396%0.95583%0.834SS**  trans-129.3146.7165-81.4-173169.5-175.9-3.1111
332K35.5Very low30.2Very low203 Ų203140.1 Ų140.188%0.88383%0.83SS**  trans-100.6144.2-175.3-75.9-179.7176.4175.10112.6
333K29.1Very low29.9Very low216 Ų216137.8 Ų137.894%0.93983%0.831SS**  trans54.2112138.8-165.8-179.9-175.5-177.80118.6
334G27.4Very low29.8Very low79 Ų79138 Ų13881%0.81483%0.832SS**  trans-152.6139.6156.700000109.8
335K30.1Very low30.2Very low214 Ų214145.7 Ų145.793%0.9384%0.835SS**  trans-146.9118.5-179.6-178175.8-178.5176.10110.4
336S29.3Very low30.2Very low121 Ų121149 Ų14985%0.84684%0.843SS**  trans-151.5170.817348.90000110.1
337K30.2Very low30.3Very low208 Ų208152 Ų15290%0.90484%0.843SS**  trans-108.4144.9-166.3-49.2166-177.6173.70111.3
338S25.9Very low30.2Very low125 Ų125158.9 Ų158.987%0.87486%0.858SS**  trans-166.8169.7135.854.10000110.6
339S27.4Very low30.2Very low99 Ų99163 Ų16369%0.69286%0.86SS**  trans-102-176.6-179.649.30000112
340T27.6Very low30.1Very low123 Ų123160.6 Ų160.676%0.75586%0.86SS**  trans92.8119.4164.470.60000119.8
341V28.2Very low30.2Very low150 Ų150164.6 Ų164.691%0.90986%0.864SS**  trans63.4138.2132.2-177.60000120.7
342G26.5Very low30.8Very low71 Ų71157.7 Ų157.773%0.73285%0.852SS**  trans102.7141.9173.300000113.2
343G28.6Very low30.5Very low74 Ų74156.3 Ų156.376%0.76385%0.846SS**  cis90.5126.81200000111.5
344E30.5Very low30.3Very low198 Ų198153.7 Ų153.793%0.92584%0.838SS**  cis-151.8177.84.6-76.4-163.98800112.4
345R35.1Very low30.3Very low243 Ų243155.3 Ų155.392%0.91784%0.836SS**  trans-76.3129.2171.3-66.2169.4171.7157.2-4.8111.3K347R345-K347 PolarHBondContact O-N 3.02Å
346K30.9Very low30.2Very low221 Ų221153.5 Ų153.596%0.96183%0.831SS**  trans-79.3105.1161.8-94.5-179.3177170.60111.2
347K32.2Very low30.3Very low211 Ų211152.7 Ų152.792%0.91782%0.82SS**  trans-133.1142.5148.4-155171.7-175.5-179.10108.8R345R345-K347 PolarHBondContact O-N 3.02Å
348K31Very low30.2Very low203 Ų203151.3 Ų151.388%0.88382%0.817SS**  trans-103.7150.4-160.4-158.7178.7-173.5-178.60111.1
349K31.9Very low30.2Very low209 Ų209148.6 Ų148.691%0.90981%0.809SS**  trans84.7111.1154.4-163.3-173.2-174.8-172.70117.5
350G30.8Very low30.3Very low77 Ų77150.4 Ų150.479%0.79482%0.815SS**  trans147.678.5157.500000117.1
351D31Very low30.4Very low158 Ų158150.5 Ų150.585%0.84582%0.816SS**  trans-113.5166.7163.5-96.8-65.7000108.6
352P46.7Very low30.4Very low109 Ų109149 Ų14971%0.70881%0.812SS**  cis-139.4164.518.636.8-16.9000118.2
353K29.3Very low30.5Very low173 Ų173149.3 Ų149.375%0.75282%0.815SS**  143.3106.8128.7-80.1-156.4169.9-150.40116.8
354E25.2Very low30.5Very low162 Ų162149.3 Ų149.376%0.75782%0.815SS**  68.9122.4114.9-139.4171.1175.800122.6
355S29Very low30.5Very low113 Ų113150.6 Ų150.679%0.7981%0.813SS**  trans115.2112.9140.475.90000122
356H27.8Very low30.1Very low175 Ų175143.6 Ų143.681%0.8180%0.801SS**  trans66.4114.2134.2-10137.5000125.9
357V29.7Very low30Very low104 Ų104139.6 Ų139.663%0.6379%0.789SS**  78.7132.21181670000122.7
358H29.6Very low29.7Very low179 Ų179139.1 Ų139.183%0.82978%0.783SS**  trans7.9134.7155.4-62.3-119.6000118.8
359G25.6Very low29.4Very low69 Ų69136.2 Ų136.271%0.71177%0.772SS**  cis122158.734.300000111.5
360V29Very low29.1Very low136 Ų136135.5 Ų135.582%0.82477%0.765SS**  trans87.694158.6-173.80000120.8
361V29Very low29.1Very low126 Ų126136.7 Ų136.776%0.76476%0.761SS**  79.4134.1124.9173.40000123.8
362S30.1Very low29Very low118 Ų118134.4 Ų134.483%0.82575%0.753SS**  trans71.5133.6152.9-77.40000124.2
363G27.1Very low28Very low78 Ų78138.2 Ų138.280%0.80476%0.761SS**  111.997.9129.200000117.9
364G28.6Very low28.1Very low73 Ų73135.1 Ų135.175%0.75376%0.761SS**  trans-155.3151.4170.900000111.7
365Y30.7Very low29Very low226 Ų226132.7 Ų132.789%0.88676%0.759SS**  trans-141.1178.7-157.334.7-101.6000114.2
366S27.7Very low28.9Very low96 Ų96133.5 Ų133.567%0.67176%0.76SS**  trans-65.8138.2-167.8-72.70000115.4
367I28.2Very low29Very low136 Ų136131.2 Ų131.270%0.69776%0.758SS**  80.9149.889.6-54.5163.9000114.3
368Y26.9Very low29.1Very low202 Ų202131.4 Ų131.479%0.79276%0.764SS**  trans89.3147.8173.7-64.9-86.1000116.8
369E24.3Very low29.2Very low142 Ų142127.6 Ų127.666%0.66476%0.757SS**  cis-169.8-172.1-39.6-143.9-162.513300108.9
370Y25.8Very low29.6Very low193 Ų193129.6 Ų129.676%0.75776%0.76SS**  trans70.4163.6167.3-97.1-110.5000118.4V372Y370-V372 HydrophobicContact CD1-CG2 4.39Å; Y370-V372 HydrophobicContact CE1-CG2 4.49Å
371S30.5Very low29.8Very low102 Ų102129.8 Ų129.871%0.71376%0.762SS**  -175.5-179.7-71.9-176.60000109.3
372V28.3Very low30Very low110 Ų110132.2 Ų132.267%0.66777%0.765SS**  trans76.6151.7158.5-137.20000119.8Y370Y370-V372 HydrophobicContact CD1-CG2 4.39Å; Y370-V372 HydrophobicContact CE1-CG2 4.49Å
373E25.6Very low30.9Very low189 Ų189132.6 Ų132.688%0.88377%0.765SS**  trans89.2124.6157.5-55.3-160151.900122
374S31.6Very low31Very low109 Ų109132 Ų13276%0.76276%0.759SS**  trans-120.4161.1157.760.20000107.7
375P43.5Very low32.1Very low110 Ų110135.2 Ų135.271%0.71477%0.767SS**  trans-158.5178.1131.539.9-22.1000117.8
376T28.3Very low32.1Very low131 Ų131129.2 Ų129.280%0.80476%0.758SS**  trans81.8169.4146.459.40000123.3
377V30.3Very low32.2Very low126 Ų126131.8 Ų131.876%0.76476%0.761SS**  -144.8176.4-98.8-152.80000110.1
378S30.3Very low32.6Very low108 Ų108132.7 Ų132.776%0.75576%0.762SS**  trans83.6153.3150.7-64.90000119.6
379S33.2Very low32.9Very low99 Ų99132.1 Ų132.169%0.69277%0.767SS**  cis-173.3145.7-14.851.40000115.2
380S32.3Very low33Very low111 Ų111128.4 Ų128.478%0.77677%0.767SS**  trans67.3148.4138.2-57.50000126.9
381T34.3Very low33.3Very low141 Ų141127.2 Ų127.287%0.86577%0.768SS**  trans99.8134.9142.8-3.40000122.3
382E32.1Very low33.5Very low176 Ų176131.2 Ų131.282%0.82278%0.775SS**  trans-108171.6167.3-61.6-162.9147.500112.1
383P50Low33.7Very low127 Ų127129.4 Ų129.483%0.82578%0.779SS**  -146.4172.196.138.9-22.6000116.4
384G28Very low34Very low66 Ų66129.8 Ų129.868%0.6878%0.78SS**  trans-80.5-163.4176.900000115.9
385P52.9Low34.3Very low140 Ų140127.6 Ų127.691%0.90978%0.775SS**  cis-137.8-156.73043.6-23.8000116.4
386S29.5Very low34.7Very low100 Ų100128 Ų12870%0.69978%0.777SS**  trans-84.2147.3-165.9176.80000117.4
387M31.3Very low35.3Very low149 Ų149130.1 Ų130.173%0.73478%0.775SS**  -178.5147.9125.6-96.2-89.385.300115.7
388Q35Very low35.6Very low155 Ų155132 Ų13272%0.72478%0.778SS**  trans31.8107.2156.4-81.3171.3-9.400123.7
389Q33.6Very low35.7Very low191 Ų191131 Ų13189%0.89378%0.776SS**  34.2108.4111.3-170.7179.925.400119.9
390G26.5Very low35.6Very low64 Ų64134.7 Ų134.766%0.6678%0.78SS**  trans160.3120.3153.300000119.1
391H32.8Very low36.1Very low168 Ų168137.8 Ų137.878%0.77878%0.779SS**  trans47118148.6-67.5-96.2000123.4
392Q34.2Very low36.2Very low186 Ų186140.9 Ų140.987%0.86978%0.781SS**  trans61.8132.5130.7-60-178.16.500122.7
393G32.2Very low36.2Very low72 Ų72136.9 Ų136.974%0.74278%0.778SS**  trans138.415215100000114.6
394Q33.2Very low35.2Very low197 Ų197137.1 Ų137.192%0.92177%0.772SS**  cis-160.3165.8-17.6-130.6179.430.400110.2
395G37.8Very low35.4Very low62 Ų62145.8 Ų145.864%0.63979%0.785SS**  trans-88.9-124.7167.600000111.1
396P51.9Low34.7Very low118 Ų118148 Ų14877%0.76678%0.78SS**  cis-88.3-138.9-11.97.414.7000110
397K39.4Very low34.5Very low176 Ų176148.5 Ų148.577%0.76578%0.783SS**  cis-151.4173.89-51.2168.7-175.8173.60107.1
398M36.4Very low34.6Very low167 Ų167149 Ų14982%0.82379%0.788SS**  cis-136.7174.45.9-77.3-70.2-75.600109.1
399A33.2Very low34.3Very low86 Ų86147.3 Ų147.371%0.71179%0.789SS**  trans-158.4161.8176.600000115.4
400F30.9Very low34.2Very low177 Ų177147.6 Ų147.678%0.77679%0.787SS**  trans-139.4148.8159.8-89.3-108000108.6
401K43.7Very low34.3Very low175 Ų175149.4 Ų149.476%0.76180%0.796SS**  cis92.6107.219.8-175.1-172.4176.9-174.20112.4
402K36.4Very low34Very low206 Ų206144.7 Ų144.790%0.89679%0.793SS**  cis-127.1-142.74.4-137.5179.1-176.2177.90110.4
403A31.7Very low33.7Very low93 Ų93145 Ų14577%0.76980%0.799SS**  cis-144.6-168.41000000111.6
404N29.4Very low33.4Very low132 Ų132145.4 Ų145.471%0.70680%0.803SS**  trans-168.8142.3-165.7172.40.8000114.4
405R32.2Very low33.3Very low248 Ų248145.3 Ų145.394%0.93680%0.803SS**  trans-153.5159.7145.3-130.8172-178.9162.30.3113.8
406K36.9Very low32.8Very low185 Ų185149.5 Ų149.580%0.80482%0.816SS**  trans-141149.9-176.1-55.6176.9179.5-179.10112.4
407S26.6Very low31.6Very low111 Ų111152.7 Ų152.778%0.77682%0.817SS**  trans-176.4135.415549.60000107.7
408L32.6Very low31Very low161 Ų161147.8 Ų147.884%0.84381%0.81SS**  cis62.4119.948.8-14176.8000110.5
409T29.6Very low30.4Very low119 Ų119147.9 Ų147.973%0.7381%0.808SS**  -159.9144.157.439.20000111.2
410K31.5Very low30Very low196 Ų196152 Ų15285%0.85282%0.815SS**  71.5118.784.8-164.1-169.3175.1-175.70117.1
411A27.3Very low29.9Very low103 Ų103149.7 Ų149.785%0.85181%0.81SS**  trans64.6156.7164.800000118
412G26.1Very low29.2Very low69 Ų69148.1 Ų148.171%0.71181%0.806SS**  cis159.4155.4-11.500000114
413L27.7Very low28.8Very low192 Ų192146.5 Ų146.5100%1.00580%0.801SS**  trans63155.3173.9-68.7164.8000117.9
414G27Very low28.7Very low80 Ų80145.7 Ų145.783%0.82580%0.802SS**  trans136.886.1167.400000116.3
415Q30.1Very low28.5Very low195 Ų195146.7 Ų146.791%0.91181%0.808SS**  trans-90.5137.7155.1-66.6173.1-35.100108.9
416V29Very low28.4Very low150 Ų150142.6 Ų142.691%0.90980%0.803SS**  trans-147.1154.3145.9176.60000108.1
417K26.5Very low28Very low185 Ų185137.7 Ų137.780%0.80481%0.806SS**  trans-122161.1-178.5175.3-169.1165.5-166.60109.5
418A26.3Very low28.2Very low74 Ų74139.8 Ų139.861%0.61281%0.807SS**  trans96.7116.2160.300000117.6
419E24.3Very low27.9Very low169 Ų169139.8 Ų139.879%0.7981%0.805SS**  32.7128.5119.4-60.7156.9106.800119.7
420M25.1Very low27.7Very low171 Ų171143.5 Ų143.584%0.84281%0.814SS**  -176.8168.2108.3-9817973.400113.3
421L28Very low27.5Very low130 Ų130138.8 Ų138.868%0.68181%0.806SS**  trans73.2101.3164.5-10068.2000121.6
422E28Very low27.5Very low142 Ų142141.5 Ų141.566%0.66481%0.806SS**  66.4141.2111.5-75.2-151.397.600125.8
423Q30.1Very low27.5Very low171 Ų171147.5 Ų147.580%0.79982%0.815SS**  trans62.9143.1148.5-66.8173.630.600119.7
424G28.4Very low27.6Very low77 Ų77145 Ų14579%0.79481%0.808SS**  trans156.839.2172.200000120.8
425D25.5Very low27.8Very low153 Ų153151.3 Ų151.382%0.81881%0.813SS**  trans46.9169.7145.9-150.724.7000123.7
426L30.8Very low27.8Very low161 Ų161148.7 Ų148.784%0.84381%0.81SS**  trans-54.9151.4-171.7-65.3156000117.9
427G28.2Very low27.8Very low83 Ų83150.6 Ų150.686%0.85681%0.809SS**  trans-171.3100165.400000113.6
428L29.6Very low28.1Very low154 Ų154147.2 Ų147.281%0.80681%0.809SS**  trans-105.2152-172.4-112.4170.3000113.6
429M25.9Very low28.7Very low162 Ų162150.6 Ų150.680%0.79882%0.822SS**  trans67.3127.8163.2-56.7-86.27600119
430Q27.4Very low29.3Very low197 Ų197147.7 Ų147.792%0.92182%0.82SS**  trans-140.3150.3142.3-161.9155.392.400109.1
431S25.3Very low30.5Very low97 Ų97142.1 Ų142.168%0.67880%0.798SS**  trans-118.5150.1-151480000115.5
432N28.2Very low31.3Very low160 Ų160142.7 Ų142.786%0.85680%0.802SS**  trans49.6131.4147.1-61.75.6000120.9
433E27.1Very low32.1Very low194 Ų194140.1 Ų140.191%0.90779%0.786SS**  trans-75.5153.9179.9-53.5169.8110.800112.6
434T28.7Very low32.7Very low141 Ų141135.5 Ų135.587%0.86577%0.767SS**  trans-124.6138.6160.938.50000110.9
435K31.4Very low33.7Very low212 Ų212135.3 Ų135.392%0.92275%0.748SS**PPolyproline II helixtrans-92.2119.4-163.5-177.7-178.2179.1-176.20110.6
436V29.9Very low35Very low139 Ų139130.6 Ų130.684%0.84273%0.73SS**PPolyproline II helixtrans-96.4131.3177.2-179.70000110.7
437E28.1Very low36.8Very low191 Ų191125.8 Ų125.889%0.89370%0.704SS**PPolyproline II helixtrans-81149.2-176.4-161.6157.8-13600111.9
438S33.4Very low38Very low114 Ų114126.9 Ų126.980%0.79769%0.687SS**  trans-110.8123.9-166.160.60000113.4
439T38.6Very low38.6Very low145 Ų145127 Ų12789%0.8968%0.681SS**  trans-76.9127.8178.143.90000111.3
440S38.2Very low40.1Very low108 Ų108122.9 Ų122.976%0.75567%0.665SS**  trans-68.2142.6-177.852.50000111.7
441S48.9Very low41Very low53 Ų53121.5 Ų121.537%0.37166%0.656SS.*  trans-111.9153.3-179.575.90000111.1Y443 D444S441-Y443 PolarHBondContact O-N 3.16Å; S441-D444 WeakPolarHBondContact O-CB 3.24Å; S441-D444 PolarHBondContact O-N 2.96Å
442N44.6Very low41.8Very low143 Ų143123.1 Ų123.177%0.76565%0.651SS**Hα-helixtrans-53.2-11.1177.5-99.5-125.7000115.5
443Y45.3Very low42.8Very low87 Ų87124.4 Ų124.434%0.34164%0.644SS.*Hα-helixtrans-75-35.2170.9-176-99.4000112.1S441 A446 M447S441-Y443 PolarHBondContact O-N 3.16Å; Y443-A446 PolarHBondContact O-N 3.41Å; Y443-M447 HydrophobicContact CD1-CG 4.2Å; Y443-M447 HydrophobicContact CE1-CG 3.81Å; Y443-M447 HydrophobicContact CE1-SD 4.44Å; Y443-M447 WeakPolarHBondContact O-CG 3.37Å; Y443-M447 PolarHBondContact O-N 3.48Å
444D43.6Very low44Very low75 Ų75119.4 Ų119.440%0.40162%0.617SS.*Hα-helixtrans-69.8-45.2179.8-159.767.7000110.9S441 A446 M447 Q448S441-D444 WeakPolarHBondContact O-CB 3.24Å; S441-D444 PolarHBondContact O-N 2.96Å; D444-A446 VanDerWaalsContact C-N 3.25Å; D444-A446 PolarHBondContact O-N 3.45Å; D444-M447 CarbonylContact O-C 3.51Å; D444-M447 WeakPolarHBondContact O-CA 3.49Å; D444-M447 WeakPolarHBondContact O-CB 3.26Å; D444-M447 PolarHBondContact O-N 3.27Å; D444-Q448 WeakPolarHBondContact O-CG 3.34Å; D444-Q448 PolarHBondContact O-N 2.83Å; D444-Q448 PolarHBondContact OD2-NE2 3.37Å
445D49.5Very low44.9Very low73 Ų73120.9 Ų120.939%0.3961%0.607SS.*Hα-helixtrans-50.7-46.2169.5-64.6-42.3000111.7M447 Q448 F449D445-M447 VanDerWaalsContact C-N 3.3Å; D445-M447 PolarHBondContact O-N 3.19Å; D445-Q448 PolarHBondContact O-N 3.18Å; D445-F449 VanDerWaalsContact O-CD2 3.29Å; D445-F449 WeakPolarHBondContact O-CD2 3.41Å; D445-F449 PolarHBondContact O-N 3.19Å
446A51.3Low45.7Very low53 Ų53116.2 Ų116.244%0.43859%0.592SS.*Hα-helixtrans-64.1-34.7179.500000112.5Y443 D444 V450Y443-A446 PolarHBondContact O-N 3.41Å; D444-A446 VanDerWaalsContact C-N 3.25Å; D444-A446 PolarHBondContact O-N 3.45Å; A446-V450 PolarHBondContact O-N 3.05Å
447M69.4Low46.3Very low60 Ų60115.9 Ų115.930%0.29658%0.581SS.*Hα-helixtrans-73-38.8172.8-70.6-61.1-58.800111.9I237 Y443 D444 D445 F449 V450 K451I237-M447 HydrophobicContact CD1-CE 4.26Å; I237-M447 HydrophobicContact CD1-SD 4.32Å; I237-M447 HydrophobicContact CG2-CE 3.98Å; Y443-M447 HydrophobicContact CD1-CG 4.2Å; Y443-M447 HydrophobicContact CE1-CG 3.81Å; Y443-M447 HydrophobicContact CE1-SD 4.44Å; Y443-M447 WeakPolarHBondContact O-CG 3.37Å; Y443-M447 PolarHBondContact O-N 3.48Å; D444-M447 CarbonylContact O-C 3.51Å; D444-M447 WeakPolarHBondContact O-CA 3.49Å; D444-M447 WeakPolarHBondContact O-CB 3.26Å; D444-M447 PolarHBondContact O-N 3.27Å; D445-M447 VanDerWaalsContact C-N 3.3Å; D445-M447 PolarHBondContact O-N 3.19Å; M447-F449 VanDerWaalsContact C-N 3.34Å; M447-F449 PolarHBondContact O-N 2.76Å; M447-V450 PolarHBondContact O-N 3.07Å; M447-V450 VanDerWaalsContact O-N 3.17Å; M447-K451 PolarHBondContact O-N 3.46Å
448Q53.4Low47Very low106 Ų106110 Ų11050%0.49557%0.566SS.*Hα-helixtrans-63.3-37.4173.3-68.4-171.539.300111.7D444 D445 V450 K451 K452D444-Q448 WeakPolarHBondContact O-CG 3.34Å; D444-Q448 PolarHBondContact O-N 2.83Å; D444-Q448 PolarHBondContact OD2-NE2 3.37Å; D445-Q448 PolarHBondContact O-N 3.18Å; Q448-V450 VanDerWaalsContact C-N 3.34Å; Q448-V450 PolarHBondContact O-N 3.24Å; Q448-K451 PolarHBondContact O-N 3.23Å; Q448-K452 VanDerWaalsContact O-CB 3.29Å; Q448-K452 WeakPolarHBondContact O-CB 3.33Å; Q448-K452 PolarHBondContact O-N 3.31Å
449F42.5Very low47.2Very low157 Ų157108 Ų10869%0.68955%0.549SS*.Hα-helixtrans-62.6-37.1171.9-91.8-74.1000112.8D445 M447 R453D445-F449 VanDerWaalsContact O-CD2 3.29Å; D445-F449 WeakPolarHBondContact O-CD2 3.41Å; D445-F449 PolarHBondContact O-N 3.19Å; M447-F449 VanDerWaalsContact C-N 3.34Å; M447-F449 PolarHBondContact O-N 2.76Å; F449-R453 WeakPolarHBondContact O-CB 3.41Å; F449-R453 PolarHBondContact O-N 3.36Å
450V56.9Low47.4Very low75 Ų75107.5 Ų107.546%0.45554%0.54SS..Hα-helixtrans-68.7-41.8172.8174.90000111A446 M447 Q448 R453 R454A446-V450 PolarHBondContact O-N 3.05Å; M447-V450 PolarHBondContact O-N 3.07Å; M447-V450 VanDerWaalsContact O-N 3.17Å; Q448-V450 VanDerWaalsContact C-N 3.34Å; Q448-V450 PolarHBondContact O-N 3.24Å; V450-R453 PolarHBondContact O-N 2.73Å; V450-R454 WeakPolarHBondContact O-CG 3.38Å; V450-R454 PolarHBondContact O-N 3.37Å
451K46.5Very low47.6Very low169 Ų169109.6 Ų109.674%0.73554%0.543SS*.Hα-helixtrans-63.1-44.6176.8-162.6175.2-177.3-179.60111.8M447 Q448 R454 Y455M447-K451 PolarHBondContact O-N 3.46Å; Q448-K451 PolarHBondContact O-N 3.23Å; K451-R454 PolarHBondContact O-N 3.08Å; K451-Y455 PolarHBondContact O-N 3.21Å
452K41.7Very low46.9Very low130 Ų130110.7 Ų110.757%0.56556%0.555SS**Hα-helixtrans-68.1-37.4178.6-167.9165.8-176.9171.60112.4Q448 R454 Y455 L456Q448-K452 VanDerWaalsContact O-CB 3.29Å; Q448-K452 WeakPolarHBondContact O-CB 3.33Å; Q448-K452 PolarHBondContact O-N 3.31Å; K452-R454 VanDerWaalsContact C-N 3.28Å; K452-R454 PolarHBondContact O-N 3.37Å; K452-Y455 PolarHBondContact O-N 3.2Å; K452-L456 PolarHBondContact O-N 2.87Å
453R48.8Very low46.6Very low187 Ų187109.5 Ų109.571%0.70655%0.553SS**Hα-helixtrans-62-34.4171.3-173.2179.2-67.6-177.5-2.8112.2F449 V450 Q457F449-R453 WeakPolarHBondContact O-CB 3.41Å; F449-R453 PolarHBondContact O-N 3.36Å; V450-R453 PolarHBondContact O-N 2.73Å; R453-Q457 WeakPolarHBondContact O-CG 3.28Å; R453-Q457 PolarHBondContact O-N 2.96Å
454R53.6Low46Very low90 Ų90111.2 Ų111.234%0.3458%0.575SS.*Hα-helixtrans-74.4-34.2175.8-70.2-120.5-75.6-178.9-9113.4N222 V450 K451 K452 Q457 A458N222-R454 PolarHBondContact O-NH1 3.24Å; N222-R454 PolarHBondContact O-NH2 3.38Å; V450-R454 WeakPolarHBondContact O-CG 3.38Å; V450-R454 PolarHBondContact O-N 3.37Å; K451-R454 PolarHBondContact O-N 3.08Å; K452-R454 VanDerWaalsContact C-N 3.28Å; K452-R454 PolarHBondContact O-N 3.37Å; R454-Q457 PolarHBondContact O-N 3.16Å; R454-Q457 VanDerWaalsContact O-N 3.14Å; R454-A458 PolarHBondContact O-N 3.03Å; R454-A458 VanDerWaalsContact O-N 3.07Å
455Y46.8Very low45.6Very low171 Ų171113.6 Ų113.667%0.67160%0.598SS**Hα-helixtrans-61.1-46174.8-162.5-99.2000111.4K451 K452 Q457 A458 T459K451-Y455 PolarHBondContact O-N 3.21Å; K452-Y455 PolarHBondContact O-N 3.2Å; Y455-Q457 PolarHBondContact O-N 3.07Å; Y455-A458 WeakPolarHBondContact O-CB 3.48Å; Y455-A458 PolarHBondContact O-N 3.14Å; Y455-T459 HydrophobicContact CD1-CG2 4.3Å; Y455-T459 HydrophobicContact CE1-CG2 4.11Å; Y455-T459 PolarHBondContact O-N 3.2Å; Y455-T459 VanDerWaalsContact O-N 3.16Å; Y455-T459 PolarHBondContact O-OG1 3.44Å
456L48.4Very low44.6Very low114 Ų114113.4 Ų113.460%0.59761%0.613SS**Hα-helixtrans-64.8-16.2174.6-73.7166.5000114.8K452 T459K452-L456 PolarHBondContact O-N 2.87Å; L456-T459 PolarHBondContact O-OG1 3.07Å
457Q41.7Very low43.6Very low133 Ų133115.7 Ų115.762%0.62163%0.632SS**Hα-helixtrans-90.7-23171.5-70.7-175.5-60.300112.6R453 R454 Y455R453-Q457 WeakPolarHBondContact O-CG 3.28Å; R453-Q457 PolarHBondContact O-N 2.96Å; R454-Q457 PolarHBondContact O-N 3.16Å; R454-Q457 VanDerWaalsContact O-N 3.14Å; Y455-Q457 PolarHBondContact O-N 3.07Å
458A43.4Very low41.7Very low68 Ų68117.6 Ų117.656%0.56266%0.657SS**Hα-helixtrans-75.5-36.817400000111.8R454 Y455 N460 N461R454-A458 PolarHBondContact O-N 3.03Å; R454-A458 VanDerWaalsContact O-N 3.07Å; Y455-A458 WeakPolarHBondContact O-CB 3.48Å; Y455-A458 PolarHBondContact O-N 3.14Å; A458-N460 PolarHBondContact O-N 3.39Å; A458-N460 VanDerWaalsContact O-N 3.15Å; A458-N461 PolarHBondContact O-N 3.15Å
459T39.1Very low40.7Very low72 Ų72119.8 Ų119.844%0.44268%0.677SS.*THydrogen-bonded Turntrans-70.9-2.5-178.752.60000115.4Y455 L456Y455-T459 HydrophobicContact CD1-CG2 4.3Å; Y455-T459 HydrophobicContact CE1-CG2 4.11Å; Y455-T459 PolarHBondContact O-N 3.2Å; Y455-T459 VanDerWaalsContact O-N 3.16Å; Y455-T459 PolarHBondContact O-OG1 3.44Å; L456-T459 PolarHBondContact O-OG1 3.07Å
460N41.1Very low40Very low133 Ų133117 Ų11771%0.71168%0.684SS**THydrogen-bonded Turntrans-100.4-5.3177.5-83.97.9000114.1A458A458-N460 PolarHBondContact O-N 3.39Å; A458-N460 VanDerWaalsContact O-N 3.15Å
461N43.3Very low38.6Very low152 Ų152117.2 Ų117.281%0.81370%0.701SS**SBendtrans-119.734-176.7-80.26.1000113.4A458A458-N461 PolarHBondContact O-N 3.15Å
462A33.6Very low37.6Very low76 Ų76113.2 Ų113.263%0.62871%0.708SS**  trans-168.4137.4164.900000106.8
463T39.1Very low36.9Very low118 Ų118111 Ų11172%0.72472%0.722SS**  cis-157.5162.37-27.10000108.2
464P31.9Very low35.9Very low124 Ų124105.7 Ų105.781%0.80573%0.725SS**  trans-88.2151.7149.833.2-32.4000111.3
465S35.7Very low34.9Very low124 Ų124106.3 Ų106.387%0.86774%0.743SS**  trans-127.8154.4-157.9-52.60000115.2
466G28.3Very low34.1Very low69 Ų69104.9 Ų104.971%0.71175%0.747SS**  trans-166116.4160.100000109
467A31Very low33.3Very low102 Ų102110.8 Ų110.884%0.84376%0.763SS**  65.591.372.400000110.7
468A29.2Very low32.6Very low99 Ų99111.3 Ų111.382%0.81877%0.77SS**  cis84.2119.44700000114.8
469V31.3Very low31.8Very low152 Ų152113.3 Ų113.392%0.92178%0.775SS**  trans175.9162.7138.21500000108.4
470A29.3Very low31.2Very low100 Ų100114.7 Ų114.783%0.82679%0.788SS**  trans-106.6173.1-169.400000113.9
471G26Very low30.6Very low78 Ų78114 Ų11480%0.80479%0.788SS**  trans161.5113.2163.900000113.3
472G26.4Very low29.9Very low86 Ų86114.7 Ų114.789%0.88779%0.786SS**  trans-89-179.3-171.200000116.9
473G27.8Very low29.6Very low83 Ų83118.1 Ų118.186%0.85679%0.793SS**  trans116.710213900000119
474G27.3Very low29Very low75 Ų75116.9 Ų116.977%0.77379%0.789SS**  93.5126.6127.900000120.7
475S32.3Very low29Very low103 Ų103116.5 Ų116.572%0.7279%0.789SS**  61.8144.8123.1-164.90000121.2
476D30.3Very low28.6Very low142 Ų142118.9 Ų118.976%0.75979%0.787SS**  cis-170.5127.4-29.2-87.2-47.6000107
477Y31.3Very low29.3Very low238 Ų238121.5 Ų121.593%0.93379%0.791SS**  trans178.3172.2152.464-88.5000111.3
478D26.4Very low29.4Very low144 Ų144121.5 Ų121.577%0.7779%0.785SS**  -160.9179-69.5-174.825.3000108.3
479V27.4Very low29.4Very low110 Ų110122 Ų12267%0.66778%0.782SS**  trans9181159.4-170.50000118.1
480S26.9Very low29.4Very low101 Ų101122 Ų12271%0.70678%0.777SS**  93.3127.3110.8-71.50000125.3
481V28.6Very low29.4Very low119 Ų119125.5 Ų125.572%0.72178%0.776SS**  98.4108.2123.3164.40000121.7
482H27.6Very low29.5Very low165 Ų165125.9 Ų125.976%0.76478%0.779SS**  trans58160.3144.4-75.2-116.8000122.2
483L27.2Very low29.5Very low148 Ų148125.8 Ų125.878%0.77578%0.778SS**  cis-170.6155.2-43-157.172.6000109.4
484S27.9Very low29.8Very low93 Ų93129.7 Ų129.765%0.6578%0.778SS**  trans7598.3145.7-175.40000122
485S30.2Very low30.8Very low115 Ų115131.9 Ų131.980%0.80478%0.779SS**  87.9146117.9-49.50000123.4
486Q28.8Very low30.7Very low175 Ų175130.1 Ų130.182%0.81878%0.777SS**  trans-85.3-177.2170.5-82.8-161.433.200111.4
487P42Very low30.8Very low123 Ų123129.2 Ų129.280%0.79978%0.776SS**  cis-146.7-166.424.744.5-22000118.6
488S32.7Very low30.9Very low103 Ų103125.3 Ų125.372%0.7277%0.768SS**  trans-82.4156-171.3-26.60000116.3
489S29.5Very low31.2Very low108 Ų108124.4 Ų124.476%0.75576%0.763SS**  166.5154.212151.80000116.2
490L30.6Very low31.7Very low154 Ų154124.5 Ų124.581%0.80677%0.769SS**  trans69.2126.4148.2-75.1164.4000124.4
491Q29.6Very low31.9Very low173 Ų173126.9 Ų126.981%0.80877%0.774SS**  72.892.1128.2-147.677.70.400124
492G28.2Very low32.2Very low85 Ų85124.1 Ų124.188%0.87677%0.77SS**  69.3149.7126.800000123.5
493G27.5Very low33.2Very low84 Ų84121.9 Ų121.987%0.86677%0.769SS**  trans139.186.2156.400000120.2
494I32.7Very low33.4Very low166 Ų166122.3 Ų122.385%0.85177%0.772SS**  trans-57.7161.6158.7-75165.7000111.7
495P49.4Very low33.6Very low120 Ų120124.2 Ų124.278%0.77978%0.775SS**  cis-130.5-171.318.920.37.3000115.6
496G30.1Very low33.6Very low66 Ų66125.7 Ų125.768%0.6877%0.773SS**  cis146177-6.400000114.3
497V31.6Very low33.6Very low124 Ų124126.7 Ų126.775%0.75278%0.777SS**  trans61.4149.1163.9-105.30000119.2
498M33.8Very low33.4Very low155 Ų155129.5 Ų129.576%0.76478%0.777SS**  cis-126.4152.1-4.6-59.5-133.977.200109
499D33.7Very low33.5Very low125 Ų125130.5 Ų130.567%0.66878%0.784SS**  cis68.1136.246.5-46.1-58000113.9
500S37.4Very low33.7Very low112 Ų112128.4 Ų128.478%0.78378%0.779SS**  cis-111.1-151.8-0.5-50.20000111.2
501D31.9Very low34.1Very low152 Ų152128.4 Ų128.481%0.81378%0.778SS**  cis-153.1-178.12.4-143.4-117.2000107.4
502G34.5Very low34.7Very low61 Ų61124.4 Ų124.463%0.62977%0.766SS**  cis-170.6-173.811.100000111.7
503P47.2Very low35.7Very low117 Ų117126 Ų12676%0.7675%0.754SS**  trans-123.4158.6-147.841.2-33000119.3
504L32.5Very low37Very low157 Ų157128.1 Ų128.182%0.82274%0.742SS**  trans-162140.8137.7-94.5-162.7000114.3
505N31.2Very low37.8Very low133 Ų133124.2 Ų124.271%0.71173%0.726SS**  trans5089.1154.2-65-33.3000122.8
506L30.7Very low37.9Very low147 Ų147124.5 Ų124.577%0.7772%0.72SS**  18.3119.4103.2-177.466.8000118.9K508L506-K508 HydrophobicContact CD1-CB 4.45Å
507E29.3Very low38.8Very low195 Ų195128.2 Ų128.291%0.91172%0.719SS**  -150.4168.1111.5-133.9-173.6-16600112.1
508K37.9Very low39.7Very low182 Ų182125.6 Ų125.679%0.79171%0.707SS**  trans-153.4122.5-157.9173.3-168.1175.6-175.10113L506L506-K508 HydrophobicContact CD1-CB 4.45Å
509S35.1Very low40.4Very low125 Ų125123.9 Ų123.987%0.87470%0.7SS**  trans179.8151145.641.90000111.5
510G32.6Very low41.3Very low63 Ų63124.2 Ų124.265%0.64970%0.701SS**  cis142.4103.8-12.200000114.2
511I38.3Very low41.6Very low154 Ų154125.1 Ų125.179%0.7970%0.697SS**  trans-144.479.2170-56-179.3000106.5
512T43.2Very low42.3Very low89 Ų89124.5 Ų124.555%0.54669%0.693SS.*  76.5110.28660.70000114.6E514T512-E514 PolarHBondContact O-N 3.4Å
513D49.1Very low42.6Very low118 Ų118132.2 Ų132.263%0.63170%0.704SS**THydrogen-bonded Turntrans-65-12.3178.6-72-71.9000115V515 L516D513-V515 PolarHBondContact O-N 3.2Å; D513-L516 PolarHBondContact O-N 3.03Å
514E53.9Low42.7Very low130 Ų130131.1 Ų131.161%0.60770%0.696SS**Hα-helixtrans-53.6-28.6-179.1-48.8-49.3138.300113.7T512 S518T512-E514 PolarHBondContact O-N 3.4Å; E514-S518 WeakPolarHBondContact O-CB 3.34Å; E514-S518 PolarHBondContact O-N 3.26Å; E514-S518 PolarHBondContact O-OG 3.19Å
515V49.8Very low42.9Very low84 Ų84130.9 Ų130.951%0.50969%0.691SS.*Hα-helixtrans-70.5-33.6178.1-1760000111.8D513 L519D513-V515 PolarHBondContact O-N 3.2Å; V515-L519 HydrophobicContact CG1-CD1 4.34Å; V515-L519 WeakPolarHBondContact O-CG 3.43Å; V515-L519 PolarHBondContact O-N 3.41Å
516L51.4Low43.1Very low126 Ų126133.1 Ų133.166%0.6669%0.694SS**Hα-helixtrans-75-35.8-179.4-79.7165.6000112.2D513D513-L516 PolarHBondContact O-N 3.03Å
517H49Very low43.7Very low144 Ų144131.1 Ų131.167%0.66769%0.69SS**Hα-helixtrans-71.3-41.5169.9-81.7126.8000112.2L519 L520 D521H517-L519 PolarHBondContact O-N 2.99Å; H517-L520 PolarHBondContact O-N 3.47Å; H517-D521 PolarHBondContact O-N 3.29Å
518S51.3Low43.6Very low69 Ų69129 Ų12948%0.48369%0.685SS.*Hα-helixtrans-59.9-30.1-179.5-61.90000113.8E514 L522E514-S518 WeakPolarHBondContact O-CB 3.34Å; E514-S518 PolarHBondContact O-N 3.26Å; E514-S518 PolarHBondContact O-OG 3.19Å; S518-L522 WeakPolarHBondContact O-CD1 3.32Å
519L49.1Very low43.2Very low119 Ų119128.8 Ų128.862%0.62369%0.69SS**Hα-helixtrans-79.2-18.8177.6-73.6171.6000113.9V515 H517V515-L519 HydrophobicContact CG1-CD1 4.34Å; V515-L519 WeakPolarHBondContact O-CG 3.43Å; V515-L519 PolarHBondContact O-N 3.41Å; H517-L519 PolarHBondContact O-N 2.99Å
520L51.5Low42.9Very low132 Ų132129.6 Ų129.669%0.69168%0.68SS**Hα-helixtrans-83.9-31.5179.1-143.369.7000111.9H517H517-L520 PolarHBondContact O-N 3.47Å
521D44.2Very low42.5Very low130 Ų130135.4 Ų135.470%0.69569%0.688SS**Hα-helixtrans-77.7-17.4179-116.116.6000113.9H517 Y523 T524H517-D521 PolarHBondContact O-N 3.29Å; D521-Y523 VanDerWaalsContact C-N 3.28Å; D521-Y523 PolarHBondContact O-N 2.89Å; D521-T524 PolarHBondContact O-OG1 3.35Å
522L45.5Very low42Very low139 Ų139133 Ų13373%0.72868%0.677SS**THydrogen-bonded Turntrans-78.1-5.9177.2-103.887.9000114.5S518S518-L522 WeakPolarHBondContact O-CD1 3.32Å
523Y41.4Very low41.4Very low223 Ų223136.1 Ų136.188%0.87569%0.688SS**THydrogen-bonded Turntrans-102.43.6-177.3-122.9-85.1000114.3D521D521-Y523 VanDerWaalsContact C-N 3.28Å; D521-Y523 PolarHBondContact O-N 2.89Å
524T49.5Very low40.3Very low95 Ų95134 Ų13458%0.58369%0.694SS**SBendtrans-125.9-1-167.951.90000115.2D521D521-T524 PolarHBondContact O-OG1 3.35Å
525Q37.3Very low39.1Very low152 Ų152134.4 Ų134.471%0.7170%0.7SS**  trans-154.7147.5179.7-130.8119.9108.200108.5
526K34.1Very low38.2Very low180 Ų180137.6 Ų137.678%0.78371%0.71SS**  cis-161.6-178.120.6-139.2168.4174.5178.80106.4
527P44Very low37.1Very low105 Ų105139.7 Ų139.768%0.68272%0.716SS**  cis-136.1161.3-2.142-25.4000117.6
528D28.5Very low36.1Very low151 Ų151138.3 Ų138.381%0.80772%0.717SS**  trans-74.4153.5160-55.8-82.8000113
529I28.9Very low34.9Very low176 Ų176143.1 Ų143.190%0.90373%0.732SS**  trans-130.7137.5149.1-62.1-177.4000106.9
530H29.4Very low33.9Very low142 Ų142144.6 Ų144.666%0.65774%0.74SS**  trans-105.9-179.4-161.2-164.1-94.3000114D532H530-D532 IonicContact CE1-OD2 3.81Å
531F24.1Very low32.6Very low185 Ų185143.2 Ų143.281%0.81174%0.741SS**  trans88140.4172.7-66-92.7000117.7
532D27.8Very low32.7Very low104 Ų104142.7 Ų142.756%0.55675%0.745SS**  cis-165.4169.4-36.4-137.9-35.5000110.8H530H530-D532 IonicContact CE1-OD2 3.81Å
533I29.1Very low31.7Very low155 Ų155140.8 Ų140.880%0.79575%0.749SS**  trans25.1120.7159.3-67.8147.9000118.9
534G27.4Very low31Very low72 Ų72135.5 Ų135.574%0.74275%0.745SS**  trans-149.5-11.6-176.400000121.9
535D28.8Very low30.1Very low140 Ų140135.8 Ų135.875%0.74976%0.756SS**  trans71.9159.5161.9-154.819.3000122
536Q30.3Very low29.8Very low150 Ų150136.5 Ų136.570%0.70177%0.765SS**  trans73.394.6157.2-87.616779.400124.2
537H27.9Very low29.7Very low170 Ų170131 Ų13179%0.78776%0.759SS**  89137.8113.7-99.4-129.6000124.4
538V28.4Very low29.4Very low116 Ų116131.2 Ų131.270%0.70376%0.764SS**  trans72.9134.5145160.70000118.7
539Q26.7Very low29.5Very low169 Ų169131.2 Ų131.279%0.7976%0.763SS**  cis-165158.6-13.4173.6169.1-14.200109.8
540L26.5Very low29.9Very low151 Ų151126.2 Ų126.279%0.79175%0.749SS**  trans-98.6133.1179.1-78.6168.1000114.2
541S25.8Very low30.1Very low103 Ų103127.3 Ų127.372%0.7276%0.759SS**  trans63.9176.9146.5-49.50000117.9
542P44.9Very low30.5Very low119 Ų119122.6 Ų122.677%0.77376%0.755SS**  cis-129.5-161.6-10.539.4-20.8000114
543A24Very low31.2Very low98 Ų98123.5 Ų123.581%0.8177%0.766SS**  trans79.1140.116100000118.4
544S28.4Very low31.8Very low113 Ų113121.5 Ų121.579%0.7977%0.766SS**  cis-156147.6-7.946.60000111.4
545A30.4Very low32.4Very low100 Ų100124 Ų12483%0.82677%0.769SS**  trans-153.599.916900000111.3
546D30.1Very low33Very low168 Ų168122.8 Ų122.890%0.89877%0.771SS**  trans-79.1151.5157.4-56.6-61.9000109
547G31.8Very low33.7Very low63 Ų63119.2 Ų119.265%0.64978%0.775SS**  cis170.3127.4-7.200000111.5
548S37.2Very low34.4Very low111 Ų111116.3 Ų116.378%0.77677%0.765SS**  trans55.7165.4166.292.20000118.2
549D30.9Very low35.5Very low150 Ų150119.6 Ų119.680%0.80277%0.77SS**  cis-143.5174.913.2-127.1-52.2000115.3
550A38.1Very low36.8Very low72 Ų72115.8 Ų115.860%0.59576%0.762SS**  trans-71.6153.1-160.900000118.2
551N32.7Very low38.2Very low165 Ų165111.8 Ų111.888%0.88275%0.747SS**  -171.1164103.7-101.1-70.9000114.7
552A34.3Very low39.8Very low86 Ų86114 Ų11471%0.71175%0.747SS**  trans-102.3178.9-173.900000111.9
553P41.6Very low40.6Very low122 Ų122115.1 Ų115.179%0.79274%0.744SS**  cis-132.5175.7642.7-26000116.7
554S41Very low42.5Very low114 Ų114116.6 Ų116.680%0.79773%0.734SS**PPolyproline II helixtrans-85.7157.7171.4-50.20000112.5
555P40.7Very low44.4Very low123 Ų123117.6 Ų117.680%0.79973%0.726SS**PPolyproline II helixtrans-101.6119.8147.332.9-25.3000110.8
556S40.7Very low46.2Very low115 Ų115120.4 Ų120.480%0.80472%0.716SS**PPolyproline II helixtrans-60.8150.514643.30000108.5
557G45.6Very low47.9Very low75 Ų75114.5 Ų114.577%0.77369%0.688SS**  cis116.752.116.700000109.8
558D41.6Very low49.5Very low109 Ų109119.2 Ų119.258%0.58369%0.686SS**  trans-132.587.6-166.2-152.8-27.9000112.5S560D558-S560 PolarHBondContact O-N 3.39Å; D558-S560 WeakPolarHBondContact OD1-CB 3.41Å; D558-S560 PolarHBondContact OD1-N 2.93Å
559K52.9Low51.4Low186 Ų186121.2 Ų121.281%0.80968%0.682SS**Hα-helixtrans-69.6-15.3176.1-65.1176.7-178.9175.10112.4M563K559-M563 WeakPolarHBondContact O-CG 3.41Å; K559-M563 PolarHBondContact O-N 3.45Å
560S52.8Low53.3Low88 Ų88118.1 Ų118.162%0.61566%0.664SS**Hα-helixtrans-68-44.8177.3-163.20000111.1D558 M562 M563 H564D558-S560 PolarHBondContact O-N 3.39Å; D558-S560 WeakPolarHBondContact OD1-CB 3.41Å; D558-S560 PolarHBondContact OD1-N 2.93Å; S560-M562 PolarHBondContact O-N 3.05Å; S560-M563 WeakPolarHBondContact O-CB 3.4Å; S560-M563 PolarHBondContact O-N 3.24Å; S560-H564 PolarHBondContact O-N 3.06Å
561S56Low54.8Low68 Ų68119.8 Ų119.848%0.47666%0.663SS.*Hα-helixtrans-60.5-45.9-178.4-165.40000112.5M563 H564 E565S561-M563 PolarHBondContact O-N 3.33Å; S561-H564 WeakPolarHBondContact O-CB 3.44Å; S561-H564 PolarHBondContact O-N 3.43Å; S561-E565 PolarHBondContact O-N 3.34Å
562M60.1Low56.4Low148 Ų148117.4 Ų117.473%0.72965%0.646SS**Hα-helixtrans-64.1-38.4177.5-172.9179.5-71.700112.7S560 H564 Y566S560-M562 PolarHBondContact O-N 3.05Å; M562-H564 VanDerWaalsContact C-N 3.3Å; M562-Y566 WeakPolarHBondContact O-CB 3.4Å; M562-Y566 PolarHBondContact O-N 3.02Å
563M60.7Low57.4Low143 Ų143115.5 Ų115.570%0.70463%0.631SS**Hα-helixtrans-62.6-38170.9-78.6-92.2-73.400111.6K559 S560 S561 Y566 S567K559-M563 WeakPolarHBondContact O-CG 3.41Å; K559-M563 PolarHBondContact O-N 3.45Å; S560-M563 WeakPolarHBondContact O-CB 3.4Å; S560-M563 PolarHBondContact O-N 3.24Å; S561-M563 PolarHBondContact O-N 3.33Å; M563-Y566 PolarHBondContact O-N 3.45Å; M563-S567 WeakPolarHBondContact O-CB 3.13Å; M563-S567 PolarHBondContact O-N 2.94Å
564H65.6Low57.9Low129 Ų129115 Ų11560%0.59762%0.621SS**Hα-helixtrans-72.4-41.2-177.8-148.225000111.8S560 S561 M562 S567 R568S560-H564 PolarHBondContact O-N 3.06Å; S561-H564 WeakPolarHBondContact O-CB 3.44Å; S561-H564 PolarHBondContact O-N 3.43Å; M562-H564 VanDerWaalsContact C-N 3.3Å; H564-S567 PolarHBondContact ND1-OG 3.18Å; H564-S567 PolarHBondContact O-N 3.09Å; H564-S567 PolarHBondContact O-OG 2.71Å; H564-R568 PolarHBondContact O-N 3.05Å
565E66.6Low58.3Low135 Ų135115.9 Ų115.963%0.63161%0.613SS**Hα-helixtrans-60.6-45.4169.7-73.4-165.6117.700112.3S561 S567 R568 F569S561-E565 PolarHBondContact O-N 3.34Å; E565-S567 VanDerWaalsContact C-N 3.27Å; E565-S567 PolarHBondContact O-N 3.11Å; E565-R568 PolarHBondContact O-N 2.92Å; E565-R568 VanDerWaalsContact O-N 3.11Å; E565-F569 PolarHBondContact O-N 3.01Å
566Y69.6Low58.8Low158 Ų158120 Ų12062%0.6261%0.612SS**Hα-helixtrans-60.7-38.3176.6-160-107.3000111.7M562 M563 F569 L570M562-Y566 WeakPolarHBondContact O-CB 3.4Å; M562-Y566 PolarHBondContact O-N 3.02Å; M563-Y566 PolarHBondContact O-N 3.45Å; Y566-F569 PolarHBondContact O-N 2.76Å; Y566-L570 HydrophobicContact CD1-CD1 3.75Å; Y566-L570 HydrophobicContact CD1-CG 4.36Å; Y566-L570 HydrophobicContact CE1-CD1 3.69Å; Y566-L570 HydrophobicContact CE1-CG 4.28Å; Y566-L570 WeakPolarHBondContact O-CG 3.48Å; Y566-L570 PolarHBondContact O-N 3.48Å
567S66.1Low59Low44 Ų44119.9 Ų119.931%0.30861%0.607SS.*Hα-helixtrans-63.3-40.117478.90000113M563 H564 E565 L570 L571M563-S567 WeakPolarHBondContact O-CB 3.13Å; M563-S567 PolarHBondContact O-N 2.94Å; H564-S567 PolarHBondContact ND1-OG 3.18Å; H564-S567 PolarHBondContact O-N 3.09Å; H564-S567 PolarHBondContact O-OG 2.71Å; E565-S567 VanDerWaalsContact C-N 3.27Å; E565-S567 PolarHBondContact O-N 3.11Å; S567-L570 PolarHBondContact O-N 3.06Å; S567-L571 WeakPolarHBondContact O-CG 3.4Å; S567-L571 PolarHBondContact O-N 3.15Å
568R65.6Low58.9Low162 Ų162120.2 Ų120.261%0.61160%0.597SS**Hα-helixtrans-71.5-34.4177.1-66-145.2-67.1119.1-4.7112.4H564 E565 Q572H564-R568 PolarHBondContact O-N 3.05Å; E565-R568 PolarHBondContact O-N 2.92Å; E565-R568 VanDerWaalsContact O-N 3.11Å; R568-Q572 VanDerWaalsContact O-CB 3.29Å; R568-Q572 WeakPolarHBondContact O-CB 3.44Å; R568-Q572 PolarHBondContact O-N 2.98Å
569F76.6Confident58.8Low154 Ų154123.1 Ų123.168%0.67561%0.607SS**Hα-helixtrans-66.1-41.2173.7-162-93.9000112.1E565 Y566 A573E565-F569 PolarHBondContact O-N 3.01Å; Y566-F569 PolarHBondContact O-N 2.76Å; F569-A573 WeakPolarHBondContact O-CB 3.32Å; F569-A573 PolarHBondContact O-N 3.3Å
570L71.4Confident57.9Low84 Ų84120.1 Ų120.144%0.4461%0.609SS.*Hα-helixtrans-66.9-42.7175.5-73.9172000112.8Y566 S567 A573 L574Y566-L570 HydrophobicContact CD1-CD1 3.75Å; Y566-L570 HydrophobicContact CD1-CG 4.36Å; Y566-L570 HydrophobicContact CE1-CD1 3.69Å; Y566-L570 HydrophobicContact CE1-CG 4.28Å; Y566-L570 WeakPolarHBondContact O-CG 3.48Å; Y566-L570 PolarHBondContact O-N 3.48Å; S567-L570 PolarHBondContact O-N 3.06Å; L570-A573 PolarHBondContact O-N 3.27Å; L570-L574 WeakPolarHBondContact O-CG 3.29Å; L570-L574 PolarHBondContact O-N 3.05Å
571L69.3Low57Low108 Ų108120.8 Ų120.857%0.56562%0.62SS**Hα-helixtrans-60.6-46.9174.5-74.4165.5000111.3S567 A573 L574 E575S567-L571 WeakPolarHBondContact O-CG 3.4Å; S567-L571 PolarHBondContact O-N 3.15Å; L571-A573 PolarHBondContact O-N 2.98Å; L571-L574 PolarHBondContact O-N 3.11Å; L571-L574 VanDerWaalsContact O-N 3.15Å; L571-E575 PolarHBondContact O-N 3.45Å
572Q65.8Low55.8Low114 Ų114121 Ų12153%0.53363%0.633SS.*Hα-helixtrans-72.1-15.4179.6-163.3163.93300113.5R568 R576R568-Q572 VanDerWaalsContact O-CB 3.29Å; R568-Q572 WeakPolarHBondContact O-CB 3.44Å; R568-Q572 PolarHBondContact O-N 2.98Å; Q572-R576 WeakPolarHBondContact O-CG 3.5Å
573A55.8Low54.8Low47 Ų47124 Ų12439%0.38864%0.643SS.*Hα-helixtrans-79.6-43.2166.700000111.7F569 L570 L571 E575 R576F569-A573 WeakPolarHBondContact O-CB 3.32Å; F569-A573 PolarHBondContact O-N 3.3Å; L570-A573 PolarHBondContact O-N 3.27Å; L571-A573 PolarHBondContact O-N 2.98Å; A573-E575 PolarHBondContact O-N 2.65Å; A573-R576 PolarHBondContact O-N 2.96Å; A573-R576 VanDerWaalsContact O-N 3.11Å
574L50.9Low53.7Low112 Ų112122.9 Ų122.959%0.58665%0.646SS**Hα-helixtrans-60.7-43.8178.1-79.1162.5000112.2L570 L571 R576 T577L570-L574 WeakPolarHBondContact O-CG 3.29Å; L570-L574 PolarHBondContact O-N 3.05Å; L571-L574 PolarHBondContact O-N 3.11Å; L571-L574 VanDerWaalsContact O-N 3.15Å; L574-R576 PolarHBondContact O-N 2.99Å; L574-R576 VanDerWaalsContact O-N 3.09Å; L574-T577 PolarHBondContact O-N 2.93Å; L574-T577 PolarHBondContact O-OG1 3.18Å
575E51Low52.4Low132 Ų132125.2 Ų125.262%0.61766%0.662SS**THydrogen-bonded Turntrans-57.1-23.5175.1-71.9-178.5144.100113.8L571 A573L571-E575 PolarHBondContact O-N 3.45Å; A573-E575 PolarHBondContact O-N 2.65Å
576R49.2Very low50.7Low210 Ų210122 Ų12279%0.79267%0.665SS**THydrogen-bonded Turntrans-88.5-1.1177.4-57.7-173.793.780.22.2113.7Q572 A573 L574Q572-R576 WeakPolarHBondContact O-CG 3.5Å; A573-R576 PolarHBondContact O-N 2.96Å; A573-R576 VanDerWaalsContact O-N 3.11Å; L574-R576 PolarHBondContact O-N 2.99Å; L574-R576 VanDerWaalsContact O-N 3.09Å
577T45.6Very low49.6Very low112 Ų112120.9 Ų120.969%0.68768%0.677SS**THydrogen-bonded Turntrans-110-4.1-177.560.30000114.5L574L574-T577 PolarHBondContact O-N 2.93Å; L574-T577 PolarHBondContact O-OG1 3.18Å
578S44.7Very low48Very low81 Ų81122.1 Ų122.157%0.56670%0.696SS**SBendtrans-107.516.8-171.756.40000115.4
579H39.3Very low47.1Very low171 Ų171120.9 Ų120.979%0.79271%0.709SS**  trans-126.994-177.8-70-17.1000113.2
580S33.6Very low45Very low122 Ų122121.1 Ų121.185%0.85372%0.717SS**  trans-14561.6172.169.50000113.4
581A33.8Very low43.9Very low103 Ų103122.1 Ų122.185%0.85173%0.728SS**  trans-163.3146.2160.300000111.5
582G31.7Very low42.1Very low73 Ų73122.5 Ų122.575%0.75374%0.74SS**  trans90.6105.3162.900000116.9
583F37.4Very low40.4Very low211 Ų211122.4 Ų122.493%0.92575%0.752SS**PPolyproline II helixtrans-80.2132.8154.3-87.9-93.4000109.6
584P38.6Very low39.1Very low119 Ų119123.4 Ų123.477%0.77377%0.767SS**PPolyproline II helixtrans-99132.8153.533.6-26.7000110.3
585L37.2Very low39.3Very low178 Ų178123 Ų12393%0.93277%0.771SS**PPolyproline II helixtrans-87.7137.9163.2-76.2170.2000109.3
586G32.7Very low38.3Very low67 Ų67125 Ų12569%0.69178%0.778SS**  trans-120.1150.917300000111.3
587P44.7Very low37.4Very low135 Ų135120.7 Ų120.788%0.87778%0.775SS**  trans-80.3160.5-171.432.7-36.4000114.1
588G32.8Very low36.7Very low69 Ų69121.2 Ų121.271%0.71178%0.778SS**  trans-77.2178.6171.900000113.8
589P46.2Very low36.1Very low137 Ų137121.2 Ų121.289%0.8978%0.778SS**  -142.3173.494.138.8-25.1000116.9
590L34.4Very low36Very low159 Ų159121.9 Ų121.983%0.83278%0.781SS**  trans-69.6176.3169.1-79162.1000112
591P48.2Very low35.9Very low105 Ų105120.3 Ų120.368%0.68278%0.776SS**  cis-150.8-173.526.545.3-24.4000119.5
592S30Very low35.8Very low115 Ų115119.1 Ų119.180%0.80477%0.773SS**  trans75.7149.6159.880.60000117.1
593S31.1Very low35.8Very low113 Ų113123.2 Ų123.279%0.7978%0.778SS**  cis-147.5158.7-1.851.30000111.4
594G28.3Very low36.5Very low68 Ų68117.4 Ų117.470%0.70176%0.761SS**  trans-89.3-150166.100000112.3
595P55.4Low36.2Very low103 Ų103118.7 Ų118.767%0.66976%0.761SS**  cis-136.9-140.1-4.543.2-24.1000113.1
596F29.1Very low35.9Very low174 Ų174120.2 Ų120.276%0.76376%0.756SS**  trans88.4102.2169.8-57.7-59.6000117.4
597T31.2Very low35.9Very low119 Ų119120.5 Ų120.573%0.7375%0.752SS**  82.2145.59858.20000114.9
598T30.4Very low35.1Very low124 Ų124119.6 Ų119.676%0.76174%0.74SS**  cis-150.5165.113.5-14.50000113
599S32.9Very low35.3Very low81 Ų81123.6 Ų123.657%0.56674%0.737SS**  trans-26.9163.2154.162.10000118
600H35.4Very low34.7Very low184 Ų184123.4 Ų123.485%0.85273%0.729SS**  cis-161.6-178.632.8-92.7-70.4000108.2
601A32.8Very low34.6Very low90 Ų90122.7 Ų122.774%0.74472%0.724SS**  cis-175.8141.6-4100000107.5
602G30.8Very low33.8Very low77 Ų77128.5 Ų128.579%0.79473%0.734SS**  trans-171.4118.1-179.600000111.9
603N31.5Very low33.8Very low159 Ų159128.3 Ų128.385%0.8573%0.733SS**  trans-145.6174-161.8-127.813.2000108.2
604P53.6Low33.8Very low89 Ų89127.5 Ų127.558%0.57873%0.733SS**  -134.9-160.5-51.827.2-3.8000112
605L31.9Very low33.8Very low147 Ų147129.4 Ų129.477%0.7774%0.735SS**  trans81.2155.8160-46.6-176.8000116.4
606Y29.7Very low32.5Very low210 Ų210132.6 Ų132.682%0.82474%0.741SS**  cis-133.8168.418.2-147-90.1000114.4
607A32.9Very low32.6Very low72 Ų72131.2 Ų131.260%0.59574%0.741SS**  trans-73.2-178.3-17500000113.5
608D28.8Very low32.4Very low117 Ų117134.3 Ų134.363%0.62675%0.747SS**  cis-170.8176.727-153.4-6.3000114.2
609K37.4Very low32.5Very low153 Ų153134.2 Ų134.267%0.66575%0.75SS**  trans73.6101.2149.7-77.6154.2-176.6120.60122
610N32.9Very low32.2Very low133 Ų133133.7 Ų133.771%0.71176%0.757SS**  94.4128.7106.5-796.8000124.2
611I32.8Very low32Very low143 Ų143134.5 Ų134.573%0.73376%0.759SS**  101.6114.2127.2-79168.6000120.7
612Y31.2Very low31.9Very low228 Ų228135.6 Ų135.689%0.89476%0.756SS**  trans78.5162.1153.7-94.6-111.5000121.5
613S30.1Very low31.9Very low111 Ų111140.3 Ų140.378%0.77676%0.757SS**  trans-152.4179.2-148.8-172.90000111.2
614A30Very low33.1Very low95 Ų95137.7 Ų137.779%0.78575%0.749SS**  trans75.1164.4169.900000117.3
615S29.3Very low31.8Very low108 Ų108139.7 Ų139.776%0.75576%0.76SS**  trans-147.6167.7-155-53.30000112.2
616H27.6Very low31.6Very low171 Ų171137.1 Ų137.179%0.79276%0.759SS**  trans85.3147.8143.7-117.4-109.2000120.4
617L31.3Very low31.5Very low145 Ų145132.5 Ų132.576%0.75976%0.758SS**  trans68.9159.3168.9-52.7179.9000115.7
618E27.2Very low32.3Very low183 Ų183135.1 Ų135.186%0.85577%0.768SS**  cis-144.3-162.85.2-146.4178.3136.100112.3
619C32.4Very low32.3Very low122 Ų122134.8 Ų134.882%0.82478%0.775SS**  trans-110.7161.6-176.5-164.60000112.7
620G26.3Very low32Very low70 Ų70133.6 Ų133.672%0.72278%0.776SS**  trans-164161179.300000113.3
621F31.2Very low32.6Very low202 Ų202132.8 Ų132.889%0.88678%0.778SS**  trans-148.5162.7-160.6-142.5-72000112.5
622V30.1Very low32.4Very low113 Ų113131.5 Ų131.569%0.68578%0.781SS**  trans95.798.7159.2-175.20000120.4
623Q31.4Very low32.4Very low175 Ų175125.8 Ų125.882%0.81878%0.775SS**  trans64.4172.7133.3-76.1-164.610.300123.4
624P55.9Low32.6Very low104 Ų104127 Ų12768%0.67578%0.777SS**  cis-136.9-169.6-30.828.8-6.3000115.5
625V27.6Very low33.7Very low132 Ų132127.5 Ų127.580%0.877%0.773SS**  trans121.5124.6142.4-176.20000119.9
626A27.5Very low34Very low92 Ų92131.9 Ų131.976%0.7678%0.778SS**  trans75.5153.6152.300000124.3
627S26.8Very low34.3Very low113 Ų113128.3 Ų128.379%0.7977%0.772SS**  trans-128.8-168.7175.7-33.80000108.6
628P51Low34.7Very low127 Ų127129.4 Ų129.483%0.82577%0.773SS**  cis-120-14722.631.1-5.5000111.4
629S27.8Very low34.9Very low110 Ų110130.3 Ų130.377%0.76977%0.774SS**  cis-156.5-1571070.70000113.6
630L31.3Very low34.9Very low129 Ų129128.2 Ų128.268%0.67577%0.766SS**  trans-152.5160.9179.8-100167.9000108.6
631P45.8Very low35.4Very low116 Ų116132.5 Ų132.575%0.75377%0.769SS**  -160.5163.497.141.6-22.1000119.5
632S29.7Very low35.4Very low115 Ų115130.8 Ų130.880%0.80477%0.768SS**  trans59.2136145.3-144.30000120.8
633S31.4Very low35.4Very low109 Ų109129.6 Ų129.676%0.76277%0.765SS**  cis-171.5176.149.749.90000113.5
634V34.1Very low35.1Very low137 Ų137126.9 Ų126.983%0.8376%0.764SS**  trans-144.1161179.2-1520000109.8
635P51.4Low33.9Very low105 Ų105127.9 Ų127.968%0.68277%0.773SS**  -159.3149.7107.837.6-17.8000119.8
636K35.6Very low33.9Very low199 Ų199126.9 Ų126.987%0.86577%0.772SS**  trans64.6152.4145-67.4168.6-176.6175.80119.5
637S35.1Very low35Very low96 Ų96126.9 Ų126.967%0.67176%0.764SS**  cis-173.2-171.1-14.758.50000108.3
638H40.4Very low35.3Very low169 Ų169128.7 Ų128.778%0.78276%0.76SS**  cis-167.2-177.84.3-126.3-39.4000110.1
639F30.1Very low34.2Very low201 Ų201130.2 Ų130.288%0.88276%0.756SS**  trans62.6152.6170.4-89.1-94.7000120.3
640A33.6Very low34.2Very low78 Ų78128.5 Ų128.565%0.64574%0.744SS**  -160.2140.5-51.300000113.4
641M35.9Very low34.2Very low161 Ų161131.3 Ų131.379%0.79375%0.751SS**  trans17135.4148.3-61-75.5-8100123
642L31.4Very low33.3Very low166 Ų166133.6 Ų133.687%0.86976%0.757SS**  -168.9173.3104.9-99.2171.4000112.4
643S30Very low33.4Very low88 Ų88135.8 Ų135.862%0.61576%0.759SS**  trans-152.5-176.9-152.258.10000116.9
644C25.2Very low33.4Very low118 Ų118136.3 Ų136.380%0.79776%0.762SS**  trans85.4149.5172-55.60000116.2
645S29.8Very low33.1Very low124 Ų124134.4 Ų134.487%0.86776%0.756SS**  cis-154.2173.64.82.70000113.4
646S27.5Very low32.2Very low112 Ų112136.1 Ų136.178%0.78376%0.758SS**  trans-129-158.5175.6-1500000108.6
647P52.3Low31.9Very low91 Ų91134.7 Ų134.759%0.59176%0.755SS**  cis-142.2-158.1-10.427.21.1000114.9
648Q31.8Very low31.6Very low151 Ų151134.5 Ų134.571%0.70676%0.759SS**  trans78.9162.1158.5-50.7-51.2-27.800119.3
649H28.6Very low32.4Very low160 Ų160132 Ų13274%0.74176%0.757SS**  cis177.6165.7-45.8-113.1-129.4000108.7
650S26.6Very low32.4Very low73 Ų73127.3 Ų127.351%0.5175%0.75SS.*  cis-176.2142.7-27.656.50000113
651F31.6Very low32.4Very low188 Ų188131.6 Ų131.683%0.82576%0.756SS**  trans61.5136.6161.6-58.1-66.9000123
652N26.8Very low32.3Very low164 Ų164131.4 Ų131.488%0.87775%0.753SS**  -174.4176.4115-103.5-70.5000113.9
653L32.1Very low32.2Very low162 Ų162132.6 Ų132.685%0.84875%0.754SS**  trans-140.6170.3-168.1-79.7169.9000114.4
654S31.7Very low32.2Very low119 Ų119136 Ų13683%0.83277%0.765SS**  trans94.9156.4162.5-410000117.7
655S28.6Very low32.5Very low98 Ų98136.7 Ų136.769%0.68577%0.766SS**  cis-176.3169.7-31.8-167.10000110.5
656L31.4Very low33.4Very low140 Ų140136.2 Ų136.273%0.73376%0.76SS**  trans70.5159164.9-45.5179.8000117.8
657E29.5Very low33.4Very low170 Ų170136.1 Ų136.179%0.79476%0.759SS**  cis-161.4-171.7-20.6-108.9173138.400111.2
658A28.6Very low32.4Very low92 Ų92139.5 Ų139.576%0.7677%0.767SS**  trans-122.9-154-17600000112.2
659P57.5Low32.7Very low116 Ų116139.7 Ų139.775%0.75377%0.768SS**  cis-139-161.7-17.842.4-22.2000115.1
660S29.6Very low32.8Very low103 Ų103138.5 Ų138.572%0.7277%0.766SS**  trans132132.3134.171.50000122.3
661H34.2Very low33Very low167 Ų167140 Ų14077%0.77377%0.773SS**  trans34.3164.1139.4-68.7-102.3000124.9
662Q34.5Very low33.1Very low158 Ų158139.6 Ų139.674%0.73877%0.773SS**  cis168.2136.6-27.4179.3-179.336.100110.8
663Q28.3Very low33.1Very low190 Ų190141 Ų14189%0.88877%0.774SS**  trans167.1-172.7146.5-94.7-175.88.100115.6
664L29.4Very low33.1Very low160 Ų160141.5 Ų141.584%0.83878%0.775SS**  trans-122-165.7-161.6-60.7172000112.8
665T31.3Very low32.9Very low133 Ų133143.5 Ų143.582%0.81677%0.771SS**  cis-160.5172.322.70.60000111.9
666P48.8Very low33.1Very low114 Ų114146.6 Ų146.674%0.7477%0.772SS**  trans-112.1177.5-163.442.9-37.9000117.9
667S29.2Very low33Very low110 Ų110147.3 Ų147.377%0.76977%0.771SS**  trans-167142162.2-82.80000116.4
668Q31.1Very low33.3Very low162 Ų162146.4 Ų146.476%0.75777%0.767SS**  trans63114.2151.3-59.7-174.7-85.200121.8
669E36.5Very low33.2Very low154 Ų154146.9 Ų146.972%0.7277%0.765SS**  86.1148.593.7-72.7177.7100.600114.6
670L31.4Very low31.7Very low135 Ų135147.9 Ų147.971%0.70777%0.769SS**  cis-154.5158.716.1-159.373.8000113.9
671T31.3Very low31.9Very low106 Ų106149.1 Ų149.165%0.6577%0.772SS**  trans11.2119.6162.355.20000124.5
672E33.1Very low32.5Very low178 Ų178146.6 Ų146.683%0.83277%0.77SS**  31.7127100.5-173.9176.7-166.300121.6
673Q27.7Very low33.3Very low193 Ų193145.1 Ų145.190%0.90278%0.775SS**  trans-164.6153137-122.5178.713.500114.9
674M31Very low33.5Very low174 Ų174140.5 Ų140.586%0.85776%0.764SS**  trans-119.2136.3164.3-72.4171.748.700109.3
675E28.6Very low33.2Very low160 Ų160139.6 Ų139.675%0.74877%0.765SS**  trans177.9119.5130.3-97.8-154.795.200114.6
676K32.2Very low33.4Very low163 Ų163142.8 Ų142.871%0.70976%0.763SS**  51.6149.8114.4-121.8174.9-174.3173.80123.2
677Q30.1Very low32.4Very low156 Ų156145.2 Ų145.273%0.72977%0.765SS**  trans88.4148.8156.5-49.2-129.732.900118.6
678H34.8Very low32.3Very low150 Ų150146.7 Ų146.769%0.69476%0.763SS**  cis-169.8-172.4-39.4-111.5-48.4000110.1
679S26Very low32.3Very low103 Ų103144 Ų14472%0.7276%0.762SS**  trans79.1142.2171.882.30000117.2
680T26.3Very low32.5Very low137 Ų137142.7 Ų142.784%0.8477%0.766SS**  cis-154.1139.3-8-0.90000113.1
681T34Very low32.3Very low129 Ų129141.3 Ų141.379%0.79177%0.768SS**  trans-84179.7153.8-1.40000109.6
682P47.8Very low32Very low113 Ų113143.5 Ų143.573%0.73478%0.776SS**  cis-150.8-152.846.247.1-24.2000112.9
683P49.6Very low31.8Very low127 Ų127142.7 Ų142.783%0.82578%0.776SS**  cis-124.1-178.6-15.431.3-9.9000115.1
684S32.6Very low31.7Very low94 Ų94138.4 Ų138.466%0.65777%0.768SS**  trans-124.8165179.4170.70000110.5
685T24.6Very low31.4Very low141 Ų141136.8 Ų136.887%0.86576%0.763SS**  trans-166.7156.9144-79.60000111.4
686Y34.1Very low31.3Very low200 Ų200137.8 Ų137.878%0.78477%0.767SS**  trans-102.7171.6-171.4-76.4-112.4000114.5
687Q28.6Very low31Very low164 Ų164137.7 Ų137.777%0.76677%0.767SS**  119.4152.9115.6-126.3-176.385.200120.4
688I27.7Very low30.7Very low142 Ų142137.7 Ų137.773%0.72877%0.767SS**  trans86.9140.8157.4-61.3153.7000119
689S31.1Very low30.5Very low106 Ų106139 Ų13974%0.74177%0.773SS**  trans-120.5158.3169.5-42.90000109.3
690P40.9Very low31.3Very low125 Ų125139.9 Ų139.981%0.81278%0.776SS**  -153.9-164.897.241.7-22.8000115
691S27.3Very low31.3Very low106 Ų106137.4 Ų137.474%0.74177%0.77SS**  trans-59.9161.3174.4-37.20000115.1
692D24.3Very low31Very low152 Ų152137 Ų13781%0.81377%0.767SS**  -166.8174.498.3-129.9-44.9000114.7
693L28.8Very low30.2Very low161 Ų161140.6 Ų140.684%0.84377%0.771SS**  trans-85.7155.2173.9-65.8143.4000111.8
694S25Very low29.1Very low103 Ų103138.8 Ų138.872%0.7276%0.761SS**  176.1162.6124.8-159.50000114.5
695N25.4Very low28.8Very low141 Ų141141.3 Ų141.375%0.75477%0.767SS**  trans62102.4155-71.5-22.7000122
696Q26.3Very low29.1Very low180 Ų180139.1 Ų139.184%0.84176%0.758SS**  -7.5147123.3-46.9174.214.500116.6
697K25.9Very low28.8Very low161 Ų161134.6 Ų134.670%0.776%0.761SS**  169.4155.493.1-176.3162.6164-178.70113.7
698E24.9Very low28.9Very low156 Ų156130.9 Ų130.973%0.72976%0.759SS**  trans64.5101161.5-86.6154.8-173.700122.4
699H29Very low28.9Very low179 Ų179130.7 Ų130.783%0.82976%0.764SS**  trans-50.7154.5135-85.3-64.4000112.1
700P42.9Very low28.9Very low120 Ų120136 Ų13678%0.77977%0.769SS**  -146.1145.686.236.6-18.9000118.1
701A26.1Very low29.2Very low86 Ų86135.1 Ų135.171%0.71176%0.764SS**  trans42.4139.2140.900000122.9
702V28.8Very low29.2Very low120 Ų120137.9 Ų137.973%0.72777%0.769SS**  -179.9120.4107148.10000111.7
703K31.3Very low29.6Very low189 Ų189136 Ų13682%0.82276%0.763SS**  trans58.4158.1155.1-68.3173.1-167.1174.10119.1
704S25.7Very low30.3Very low88 Ų88133.8 Ų133.862%0.61576%0.758SS**  cis-169.3146.7-22.448.90000110.1
705D25.8Very low30.6Very low147 Ų147133.4 Ų133.479%0.78676%0.756SS**  trans63.9164.8156.6-68.9-57.1000120.9
706S31.1Very low31Very low96 Ų96133.9 Ų133.967%0.67175%0.753SS**  cis-173.3126.9-44.7-95.80000109.8
707A28.9Very low31Very low104 Ų104130.8 Ų130.886%0.8674%0.742SS**  trans60.4167.7162.100000118.4
708A29.3Very low31.3Very low86 Ų86130.2 Ų130.271%0.71175%0.747SS**  cis-168.6-174.5-3900000109.5
709V27.8Very low31.4Very low139 Ų139126.8 Ų126.884%0.84274%0.744SS**  trans80.7106.8157.9-175.80000118.7
710Y32.4Very low31.4Very low217 Ų217123.2 Ų123.285%0.85174%0.74SS**  trans-60.8160.3153-72.1-79.7000111.2
711P46Very low30.9Very low107 Ų107124.9 Ų124.970%0.69574%0.741SS**  -165.3-172.956.343.1-18.8000120.9
712L27Very low31Very low163 Ų163127.3 Ų127.385%0.85374%0.742SS**  trans90.2152.3139.7-102.8141000122.1
713V34Very low31.1Very low113 Ų113125.9 Ų125.969%0.68574%0.738SS**  trans-116.7140.1-169.11650000108.6
714P43.2Very low31.1Very low114 Ų114122.1 Ų122.174%0.7474%0.735SS**  -123.9160.5115.52.520.2000110.6
715S32.2Very low31.6Very low95 Ų95127.3 Ų127.366%0.66475%0.747SS**  cis67.2142.546.8-52.30000112
716Q31.8Very low32.4Very low151 Ų151126.5 Ų126.571%0.70675%0.749SS**  cis-163.9179.96.8-135.5172.3-79.900112
717D27Very low32.3Very low115 Ų115126.4 Ų126.462%0.61575%0.749SS**  trans78.2138.9141.4-70.1-15000124.8
718L32.8Very low32.5Very low150 Ų150132.8 Ų132.879%0.78575%0.752SS**  trans48.9124.7140.5-55.9168.2000119.9
719A27.1Very low32.8Very low83 Ų83135.8 Ų135.869%0.68675%0.752SS**  cis85.6149.936.700000115.7
720S28Very low33Very low105 Ų105137 Ų13773%0.73475%0.752SS**  trans76.1110.3178.4-58.10000115.2
721L32.2Very low33.1Very low154 Ų154133.3 Ų133.381%0.80674%0.742SS**  83.9144.781.8-73.6162.6000112
722D27.9Very low32.6Very low137 Ų137134.3 Ų134.373%0.73374%0.742SS**  cis-150.3172.912.6-155.75.8000114.6
723S31.2Very low33Very low91 Ų91135.2 Ų135.264%0.63674%0.739SS**  trans22.4129.8142.2-159.60000119
724S32.6Very low32.9Very low109 Ų109133.4 Ų133.476%0.76274%0.736SS**  -171.2159.965.638.80000114
725K35.5Very low32.6Very low197 Ų197137.1 Ų137.186%0.85774%0.744SS**  trans-90.6163.8169-55.8178.4-179.2176.70109.8
726P41.6Very low32.6Very low130 Ų130136.1 Ų136.184%0.84474%0.741SS**  -134.2164.187.718.61.9000114.4
727S30.6Very low32.4Very low95 Ų95139.3 Ų139.366%0.66475%0.753SS**  trans-93.7154.6169.552.50000111.6
728Y32.2Very low32.5Very low237 Ų237137.5 Ų137.593%0.92976%0.762SS**  trans-145.2149.5140.5-106.6-75.4000111.5
729Q34.9Very low32.9Very low150 Ų150135.6 Ų135.670%0.70176%0.761SS**  trans-100.4157.1174.9-62.7160.2-103.300110.1
730I32.9Very low33.2Very low164 Ų164140.6 Ų140.684%0.84177%0.77SS**  trans-155.7117.7137.6-88129.9000104.2
731E34.7Very low33.4Very low139 Ų139144.2 Ų144.265%0.6577%0.773SS**  83.9140.851.8-139.278.1-124.800113.8
732N36.1Very low33.6Very low128 Ų128146.1 Ų146.168%0.68477%0.774SS**  trans93.4115.2161.5-65.7-24.4000124.1
733F33.8Very low33.6Very low183 Ų183143.1 Ų143.180%0.80377%0.765SS**  trans69.493.3130.4-80.1-104.3000123.4
734A32Very low33.6Very low75 Ų75145.5 Ų145.562%0.6277%0.77SS**  56.9139.2101.800000123.5
735Q37.7Very low33.6Very low192 Ų192145.4 Ų145.490%0.89777%0.765SS**  trans66.8135.2146.7-76.9176.2-29.800118.1
736A31.5Very low33.5Very low74 Ų74143.8 Ų143.861%0.61276%0.76SS**  cis-178.1-169.915.400000109.7
737F29.1Very low32.9Very low218 Ų218140.6 Ų140.696%0.95675%0.751SS**  trans68.2157169.4-67.1-80000118.6
738G27.2Very low32.9Very low77 Ų77143.6 Ų143.679%0.79476%0.758SS**  trans136.336.9164.700000119Q740G738-Q740 PolarHBondContact O-N 3.21Å
739S42.1Very low32.7Very low110 Ų110137 Ų13777%0.76975%0.746SS**  trans-78.6115.7171.856.40000112.4
740Q34Very low32.3Very low187 Ų187139.6 Ų139.687%0.87475%0.751SS**  trans-137.5131.1152.1-64.6-166.814.100108.4G738G738-Q740 PolarHBondContact O-N 3.21Å
741F31.1Very low32Very low182 Ų182135.9 Ų135.980%0.79874%0.74SS**  73.792.651.7-88.2-77000115.7
742K36Very low32.1Very low193 Ų193134.7 Ų134.784%0.83974%0.742SS**  -165.1124.1129.2-98.8157.8-177.3-177.80105.1
743S29.8Very low31.6Very low75 Ų75138.2 Ų138.252%0.52476%0.755SS.*  61.9134.950.1101.30000110.9
744D30.9Very low31.7Very low141 Ų141135.2 Ų135.275%0.75476%0.756SS**  cis-116.5152.124.9-65.5-39.2000112.3
745V32.3Very low31.8Very low107 Ų107135.7 Ų135.765%0.64877%0.769SS**  cis70.5124.146.9179.60000110.6
746H32.5Very low31.3Very low163 Ų163130.3 Ų130.376%0.75577%0.765SS**  cis-122.2173.11.9-111-45000110.5
747G28.4Very low31.2Very low63 Ų63135.5 Ų135.565%0.64978%0.777SS**  75.6136.350.900000109.4
748L31.8Very low31.3Very low157 Ų157130 Ų13082%0.82276%0.761SS**  cis-160.2174.927.6-74.3169.3000107
749S27.3Very low31.3Very low98 Ų98132.5 Ų132.569%0.68576%0.756SS**  cis-171.8131-1345.10000107.5
750Y27.1Very low30.7Very low205 Ų205134.5 Ų134.580%0.80475%0.752SS**  89.2161.2106.8-167.7-102.8000116.5
751S25.6Very low30.4Very low87 Ų87136.3 Ų136.361%0.60875%0.751SS**  trans62.2134.5-172.4-64.60000116.9
752T38Very low30.4Very low113 Ų113135.2 Ų135.269%0.69375%0.752SS**  cis87.5106.217.177.20000117.9
753E26.3Very low30Very low202 Ų202137.6 Ų137.694%0.94476%0.756SS**  trans-165.5-176.914157.2-168.6136.900111.2
754S35.3Very low30.2Very low120 Ų120139.2 Ų139.284%0.83976%0.763SS**  trans-156.5148.2-160.561.70000116.2
755G33.6Very low30.7Very low86 Ų86138 Ų13889%0.88776%0.763SS**  trans103.7145.5151.600000117.3
756G28.3Very low30.4Very low78 Ų78138.5 Ų138.580%0.80477%0.766SS**  trans172.1138.5176.500000112.6
757E27.9Very low30.6Very low184 Ų184135.9 Ų135.986%0.8677%0.766SS**  trans-160168.2-163.6-13117491.800109.1
758V31.1Very low30.6Very low103 Ų103140.2 Ų140.262%0.62477%0.774SS**  cis-148.6162.916.3-157.70000110.3
759D27.7Very low30.4Very low129 Ų129141.5 Ų141.569%0.6977%0.773SS**  trans70.2155.9152-102.8-50000118.5
760H30.7Very low30.6Very low151 Ų151141.9 Ų141.970%0.69978%0.776SS**  cis-160.117132.5-114.2-16.4000114.3
761R27.2Very low30.7Very low225 Ų225135.6 Ų135.685%0.84977%0.774SS**  trans75.982.1156.3-76.5-178.2172.5132.81.2122.2
762I30.4Very low31Very low159 Ų159142 Ų14282%0.81579%0.786SS**  15.1128.7115.2-55.4162.4000118.5
763R27.6Very low30.5Very low243 Ų243140.8 Ų140.892%0.91778%0.782SS**  -154.6123.7128.6-156.7168.1-171165.23.4113.5
764T33.8Very low30.7Very low109 Ų109138 Ų13867%0.66977%0.773SS**  trans-106.4161.5165.846.90000110.7
765P42Very low30.5Very low116 Ų116139.2 Ų139.275%0.75377%0.77SS**  -129.4149.1108.939.7-32.2000110.9
766V25.9Very low30.6Very low118 Ų118140.4 Ų140.472%0.71576%0.764SS**  60.685.859.5-173.80000109.5
767S36.1Very low30.6Very low107 Ų107143.7 Ų143.775%0.74876%0.763SS**  67.2123.177.8-62.50000113.8
768D28.4Very low31Very low154 Ų154140.4 Ų140.482%0.82476%0.756SS**  trans-157.9169.4144.1-116.2-31.4000114.7
769F28.5Very low30.8Very low185 Ų185143 Ų14381%0.81177%0.766SS**  trans-62.1144-165.9-82.4-117.6000115.1
770S30.3Very low31.1Very low105 Ų105144.6 Ų144.673%0.73477%0.769SS**  90.1127.457.3-163.50000113.9
771G29.5Very low31.7Very low74 Ų74143.5 Ų143.576%0.76378%0.775SS**  trans178.7121.3179.900000116.2
772Y32.1Very low31.9Very low220 Ų220138.4 Ų138.486%0.86377%0.769SS**  trans-80.4173176.1-66.4-92.1000112
773S28.8Very low31.9Very low89 Ų89135.4 Ų135.462%0.62276%0.763SS**  cis-165.8159.1-1.3-123.20000112.7
774L30.6Very low32.1Very low142 Ų142130.6 Ų130.674%0.74376%0.76SS**  trans48.5134.4142.7-60.1168.9000124.5
775L31.1Very low31.8Very low147 Ų147129.2 Ų129.277%0.7777%0.767SS**  34.6144.5129.1-47.9178.1000120.6
776S34.2Very low31.3Very low110 Ų110129.3 Ų129.377%0.76977%0.771SS**  -169.5-17957.3-540000115.5
777D28.2Very low31.6Very low147 Ų147133.6 Ų133.679%0.78678%0.78SS**  trans-51.6139.7178.8-65.6-79.1000118.3
778V36.5Very low31.6Very low116 Ų116135 Ų13570%0.70378%0.784SS**  78.5126.196.7177.90000117.3
779N28.3Very low32Very low158 Ų158133.7 Ų133.785%0.84578%0.784SS**  -169.3158.6125.5-107.9-66.1000114.8
780E33.8Very low32.1Very low161 Ų161131 Ų13175%0.75278%0.783SS**  trans-96.1171.9170.6-75.5-157.4133.800112.2
781P41.6Very low32.1Very low128 Ų128130.5 Ų130.583%0.83178%0.78SS**  trans-128.2136.6132.436.3-28.4000114.6
782V31.5Very low32.2Very low118 Ų118134.8 Ų134.872%0.71578%0.78SS**  trans-75.4141.7169170.10000108
783S30.8Very low32.3Very low97 Ų97129 Ų12968%0.67877%0.772SS**  -175.1176.362.2-157.10000115.7
784T31.6Very low32.3Very low141 Ų141134.2 Ų134.287%0.86578%0.779SS**  trans78.3149.1164.175.70000119.2
785G27.6Very low32.6Very low80 Ų80141.4 Ų141.483%0.82580%0.796SS**  trans12165.9168.800000116.4
786S32.2Very low32.6Very low119 Ų119141.1 Ų141.183%0.83280%0.798SS**  trans-80.4128.9174.352.30000113
787K32.7Very low32.6Very low208 Ų208142.7 Ų142.790%0.90480%0.799SS**  trans-166.8120.9157.4-103.5142-172.5173.80110.8
788T35.6Very low32.8Very low135 Ų135142.5 Ų142.583%0.82880%0.8SS**  trans-77.1154.9163.7450000110.2
789P36.2Very low32.6Very low128 Ų128144.1 Ų144.183%0.83181%0.805SS**  -131.8167.712137.6-31000113.8
790T31.5Very low32.9Very low127 Ų127143.2 Ų143.278%0.77980%0.803SS**  trans-91.7153.2-171-49.20000112.8
791S30.3Very low32.8Very low95 Ų95142 Ų14266%0.66481%0.806SS**  trans74.7164.3166.285.60000115.4
792Q30.1Very low32.2Very low165 Ų165143 Ų14377%0.77181%0.805SS**  cis-150157.711.7-150.8157.9105.300112.3
793S34.3Very low32.2Very low99 Ų99144.9 Ų144.969%0.69281%0.811SS**  trans-91.2132.4174.455.70000112.4
794Y29.6Very low32.3Very low198 Ų198148.9 Ų148.978%0.77682%0.823SS**  trans179.4144.3154.2-91.4-63.7000107.8
795R36.3Very low32.4Very low292 Ų292149.6 Ų149.6100%1.10282%0.819SS**  cis-153.20-14.8-156.5178.4-159.8-174.87109.3

Retrieved 795 of 795 residues in 336.3 ms (Link to these results)